| SMILES,label,InChI_Key | |
| CC(=O)OC1CC2CCC3C(CCC4(C)C3CC([N+]3(C)CCCCC3)C4OC(C)=O)C2(C)CC1N1CCCCC1,0,BGSZAXLLHYERSY-UHFFFAOYSA-N | |
| CN(C(=O)Cc1ccccc1N)[C@@H](CN1CC[C@@H](O)C1)c1ccccc1,0,SYMWUCVROYSIKP-QUCCMNQESA-N | |
| CCc1ccc(-c2ccc(C(=O)N(C)C3CCN(C(=O)N4CCC(N5CCCCC5)C4)C3)cc2)cc1,1,CIPAOWLQTIPSII-UHFFFAOYSA-N | |
| CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1,0,PUFQVTATUTYEAL-UHFFFAOYSA-N | |
| CC(COc1ccccc1)NN,1,QNEXFJFTGQBXBJ-UHFFFAOYSA-N | |
| C/C=C\C1O[C@]2(C(=O)COC(=O)c3ccncc3)CC[C@@]3(O1)[C@@H]1CCC4=CC(=O)CC[C@]4(C)[C@H]1[C@@H](O)C[C@]23C,1,LZHLAFIPUJPCBN-ZTOAAZPKSA-N | |
| CCCC(CCC)C(N)=O,1,OMOMUFTZPTXCHP-UHFFFAOYSA-N | |
| CN[C@H]1CCc2ncsc2C1,1,YDSVAKPJAOSZJA-LURJTMIESA-N | |
| CN1C2CCC1CC(NC(=O)N1CC(C)(C)c3ccccc31)C2,1,ILXWRFDRNAKTDD-UHFFFAOYSA-N | |
| CN(C)C1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(O)C3CC12,0,JCSGAUKCDAVARS-UHFFFAOYSA-N | |
| CCCCCCCCC=CCCCCCCC(N)(C=O)CO,0,BQTSPRJGHSTJPS-UHFFFAOYSA-N | |
| CCCCOC[C@H](CN1C(=O)NC(=O)[C@](CC)(c2ccccc2)C1=O)OC(N)=O,1,QHZQILHUJDRDAI-YWZLYKJASA-N | |
| C[C@@H](C(=O)c1ccccc1)N(C)C,1,KBHMHROOFHVLBA-VIFPVBQESA-N | |
| OC1(c2cccc(Cl)c2)C2=NCCCN2c2ccccc21,1,VKQDZNZTPGLGFD-UHFFFAOYSA-N | |
| CC(C)(C)OC(=O)NC1(CN)C(c2ccccc2)C1S(=O)(=O)c1ccc(Cl)cc1,1,WAPZTEYKJAHIHL-UHFFFAOYSA-N | |
| CN(C)C1C(=O)C(C(=O)NCNC(C(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)O)c2ccccc2)C(=O)C2(O)C(=O)C3C(=O)c4c(O)cccc4C(C)(O)C3CC12,0,OYVCHTYZTPZYAA-UHFFFAOYSA-N | |
| CCC(=O)O[C@@]1(C(=O)COC)[C@H](C)C[C@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@@]3(F)[C@H](O)C[C@]21C,1,ZMYGOSBRLPSJNB-KAVNQXNESA-N | |
| COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc(OC)c(O)c4Oc4ccc(cc4)C[C@@H]3[N+](C)(C)CC2)CC[N+]1(C)C,0,PXXYOLIWFSWZNP-XZWHSSHBSA-P | |
| CCC(=O)C(CCN(C)C)(c1ccccc1)c1ccccc1,1,WCJFBSYALHQBSK-UHFFFAOYSA-N | |
| COc1ccc2c3c1O[C@H]1[C@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341,1,OROGSEYTTFOCAN-KEMUOJQUSA-N | |
| CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2,1,NOSIYYJFMPDDSA-UHFFFAOYSA-N | |
| COc1ccc2c(c1OC)C13CCN(C)C(C2)C1(O)CC[C@H](O)C3,1,LCAHPIFLPICNRW-YKXNEBCKSA-N | |
| C[C@H]1O[C@H]1P(=O)(O)O,1,YMDXZJFXQJVXBF-GBXIJSLDSA-N | |
| CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O,0,OHKOGUYZJXTSFX-KZFFXBSXSA-N | |
| CN(C)[C@@H]1C(O)=C(C(=O)NCN2CCC[C@H](C(=O)O)C2)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)[C@H]3C[C@@H]12,0,LYOHRYSQMOWAQT-PFTOPGEISA-N | |
| COC(=O)c1ccc(COc2ccc3c(c2)OC(=Cc2cccc(OC)c2OC)C3=O)o1,0,RZYCASPKLSFYLJ-UHFFFAOYSA-N | |
| CC(C)(C)NC[C@H](O)COc1cccc2c1C[C@H](O)[C@@H](O)C2,1,VWPOSFSPZNDTMJ-QEJZJMRPSA-N | |
| CCCCC(=O)O[C@]1(C(=O)CO)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]21C,1,SNHRLVCMMWUAJD-MXFKGUJQSA-N | |
| CCN(CC)C(=O)N[C@@H]1C[C@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,1,JOAHPSVPXZTVEP-UWWQBHOKSA-N | |
| C[S+](CC[C@H](N)C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,1,MEFKEPWMEQBLKI-AIRLBKTGSA-N | |
| COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN(CCCOc2ccc(F)cc2)C[C@@H]1OC,1,DCSUBABJRXZOMT-UNMCSNQZSA-N | |
| C[N+]1(CCCS(=O)(=O)O)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2,0,PIWAVOGXKRZQCB-UHFFFAOYSA-O | |
| O=C1CN(O)C(c2ccccc2)=c2cc(Cl)ccc2=N1,1,PSADRZMLSXCSAS-UHFFFAOYSA-N | |
| C=CCN1CCC23CCCC[C@@H]2C1Cc1ccc(O)cc13,1,OZYUPQUCAUTOBP-IPJUCJBFSA-N | |
| CC(=O)OCC(=O)C12OC(C)(C)O[C@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=CC4(C)[C@H]3C(O)CC12C,1,WEGNFRKBIKYVLC-CHHIZCGVSA-N | |
| CN1CC[C@@H]2c3cc(Cl)ccc3Oc3ccccc3[C@H]2C1,1,SYLUBQOFGXPQIZ-CJNGLKHVSA-N | |
| CC1(C)O[C@H]2C[C@@H]3[C@H]4CCC5=CC(=O)CC[C@@]5(C)[C@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(C(=O)CCl)O1,1,MUQNGPZZQDCDFT-HMAZYREPSA-N | |
| CCOC[C@@]1(C#N)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1,1,NAJCPNJCFQUMKQ-FHWLQOOXSA-N | |
| N#Cc1ccc2c(c1)C1=C(CCN(CC3CCCC3)CC1)c1ccccc1O2,1,MUAHMQUPOQGKOQ-UHFFFAOYSA-N | |
| CN1CCN(C(c2ccccc2)c2ccccc2)CC1,1,UVKZSORBKUEBAZ-UHFFFAOYSA-N | |
| O=C(O)/C=C\C(=O)O.c1csc(Cc2ccccc2OCC2CNCCO2)c1,1,ONQAJVWRFPPADI-BTJKTKAUSA-N | |
| CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H]([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)O[C@@H]1SC,0,OYSKUZDIHNKWLV-PRUAPSLNSA-N | |
| CCN[C@@H]1[C@H]2CC[C@H](C2)[C@H]1c1ccccc1,1,IKFBPFGUINLYQI-LXTVHRRPSA-N | |
| CCCC(=O)O[C@@]1(C(=O)CO)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@H]3[C@@H](O)C[C@]21C,1,BMCQMVFGOVHVNG-QJQLEFJMSA-N | |
| CC(=O)C1CCC2C3CC(C)C4=CC(=O)C=CC4(C)C3C(O)CC12C,1,VDNZZIYSCXESNI-UHFFFAOYSA-N | |
| CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC,1,LKACJLUUJRMGFK-UHFFFAOYSA-N | |
| COc1ccccc1N1CCN(CCC[C@H](O)c2ccc(F)cc2)CC1,1,LCZRXFYSMJIDQQ-FQEVSTJZSA-N | |
| Cc1cccc2c1Oc1ccccc1[C@@]1(O)CCN(C)C[C@@H]21,1,RPMDQAYGQBREBS-LPHOPBHVSA-N | |
| COc1ccc2c3c1O[C@@H]1C(OC(=O)c4cccnc4)CC[C@@H]4C(C2)N(C)CCC341,1,GTGRMWCOZHEYRL-VBSHHFLCSA-N | |
| C/C=C/[C@@H](C)[C@@H](O)[C@@H]1C(=O)N[C@H](CC)C(=O)N(C)CC(=O)N(C)[C@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N1C,1,DDPJWUQJQMKQIF-MEUMUNIMSA-N | |
| CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2C(=O)CC[C@H]3[C@H]1C5,1,WVLOADHCBXTIJK-LJYYHZRSSA-N | |
| COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC,1,QEVHRUUCFGRFIF-MDEJGZGSSA-N | |
| O=C1OC(C(O)CO)C(O)=C1O,1,CIWBSHSKHKDKBQ-UHFFFAOYSA-N | |
| COc1ccc(N(c2nc(C)c(C)s2)S(C)(=O)=O)cc1CN[C@H]1CCCN[C@H]1c1ccccc1,1,XVUGPUBFELWEAK-UPVQGACJSA-N | |
| CO/N=C(\C(=O)N[C@@H]1C(=O)N(OCC(=O)OCC(=O)OC(C)(C)C)[C@H]1C)c1csc(N)n1,0,QPWVHJDIDXILDG-SSUKDTCJSA-N | |
| CC(=C(CCOC(=O)c1ccccc1)SSC(CCOC(=O)c1ccccc1)=C(C)N(C=O)Cc1cnc(C)nc1N)N(C=O)Cc1cnc(C)nc1N,1,IWXAZSAGYJHXPX-UHFFFAOYSA-N | |
| COc1cc(/C=C/C(=O)NCCn2c(C(F)(F)F)cc3ccccc32)cc(OC)c1OC,1,WUYOECAJFJFUFC-CMDGGOBGSA-N | |
| COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1,1,BVPWJMCABCPUQY-UHFFFAOYSA-N | |
| CCCC(=O)Nc1ccc(OC[CH]CNC(C)C)c(C(C)=O)c1,1,YRIPXROALXOMJG-UHFFFAOYSA-N | |
| CC1(C)O[C@H]2C[C@H]3[C@H]4C[C@H](F)C5=CC(=O)CC[C@@]5(C)[C@H]4[C@H](O)C[C@@]3(C)[C@]2(C(=O)CO)O1,1,POPFMWWJOGLOIF-ZDDQLPHWSA-N | |
| CCN(CC)CCCOC(=O)C1(c2ccccc2)CC2CCC1C2,1,BDNMABJZSXTKAQ-UHFFFAOYSA-N | |
| CCC1NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N1,0,AGMMTXLNIQSRCG-UHFFFAOYSA-N | |
| COc1ccccc1N1CCN(CCCC(O)c2ccc(F)cc2)CC1,1,LCZRXFYSMJIDQQ-UHFFFAOYSA-N | |
| CC(=O)OCC(=O)C1(O)[C@@H](OC(C)=O)C[C@H]2[C@@H]3CCC4=CC(=O)C=CC4(C)C3(F)[C@@H](O)CC21C,1,XGMPVBXKDAHORN-LRDRJEENSA-N | |
| CC(C)n1c(=O)c2c(-c3noc(C4CC4)n3)ncn2c2ccccc21,1,ZGEGOFCLSWVVKG-UHFFFAOYSA-N | |
| CN(C)CC/C=C1\c2ccccc2CNc2cc(Cl)ccc21,1,YXZWPKTWLHVLEY-CAOOACKPSA-N | |
| CCn1c(O)c(-c2ccccc2)[nH]c1=O,1,DQTXWWZTPYDJTC-UHFFFAOYSA-N | |
| CCCCCC(=O)CCC1(C)[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C,1,UDNUCVYCLQJJBY-ZVTBYLAHSA-N | |
| CC12C=CC(=O)C=C1CC[C@H]1[C@@H]3C[C@H](O)C(O)(C(=O)CO)C3(C)C[C@H](O)C12F,1,GFNANZIMVAIWHM-YHRJYHHGSA-N | |
| CCN(CC)[C@@H](C)CN1c2ccccc2Sc2ccccc21,1,CDOZDBSBBXSXLB-HNNXBMFYSA-N | |
| CCOC(=O)OCCC(SC(=O)OCC)=C(C)N(C=O)Cc1cnc(C)nc1N,1,YBROOZNJUDHTGE-UHFFFAOYSA-N | |
| CNC1CCc2[nH]c3ccc(C(N)=O)cc3c2C1,1,XPSQPHWEGNHMSK-UHFFFAOYSA-N | |
| CC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)CCN1,0,QKDHBVNJCZBTMR-UHFFFAOYSA-N | |
| CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O.[Na],0,XFGIVHXZEANRAL-UHFFFAOYSA-N | |
| OCCOCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,1,VUFOCTSXHUWGPW-UHFFFAOYSA-N | |
| CC1(C)S[C@@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=O)N2[C@H]1C(=O)O,0,HGBLNBBNRORJKI-WCABBAIRSA-N | |
| CC[C@H](C(=O)OCCN1CCO[C@@H](c2ccccc2)[C@@H]1C)c1ccccc1,1,BAQKJENAVQLANS-YUXAGFNASA-N | |
| Nc1nc2c(ncn2CCC(CO)CO)c(=O)[nH]1,1,JNTOCHDNEULJHD-UHFFFAOYSA-N | |
| CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CC[C@]2(CCCO2)C[C@@H]1N1CCCC1,1,NYKCGQQJNVPOLU-JAXLGGSGSA-N | |
| CSc1ccc(CC(=O)N2CCN(C(C)=O)CC2CN2CCC(O)C2)cc1,0,RVMJEGUPDTVYDF-UHFFFAOYSA-N | |
| NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@@H]2O[C@H](CN)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@@H](CO)[C@@H](O)[C@H](N)[C@@H]1O,0,LKCWBDHBTVXHDL-XXPHWTMWSA-N | |
| O=S(=O)(c1ccc(Cl)cc1)[C@@H]1[C@H](CO)[C@H]1c1ccccc1,1,LWUQMQUMQLZFBY-BZUAXINKSA-N | |
| Nc1nc2c(c(=O)[nH]1)N(C=O)[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)CN2,1,VVIAGPKUTFNRDU-OLZOCXBDSA-N | |
| Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O,0,JFIOVJDNOJYLKP-UHFFFAOYSA-N | |
| CC(=O)OC1C(=O)[C@@]2(C)[C@H](C(OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)C(NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)C1(OC(C)=O)CO[C@@H]1C[C@@H]2O,1,RCINICONZNJXQF-JRESLGNCSA-N | |
| CN(C)CCOC1(Cc2ccccc2)C[C@H]2CC[C@]1(C)C2(C)C,1,XAZVHBVUJRRLHH-SAMMEDMISA-N | |
| CNC[C@@H](O)c1cccc(OC(=O)C(C)(C)C)c1,0,DQCAWJLMFJKICG-GFCCVEGCSA-N | |
| CC(C)C[C@H]1C(=O)N2CCC[C@@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,0,OZVBMTJYIDMWIL-QVKVAGHXSA-N | |
| CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1,0,SKYSRIRYMSLOIN-UHFFFAOYSA-N | |
| CCN(CCC(c1ccccc1)c1cc(C)ccc1O)C(C)C,1,CFKYVAZWWGYTPP-UHFFFAOYSA-N | |
| CC(=O)c1c2c(c3oc(=O)cc(C)c3c1O)[C@@H](c1cc(F)c(F)c(F)c1)CC(=O)O2,0,ORPMXJQZAUSTTR-SNVBAGLBSA-N | |
| CN(C)CCC=C1C=c2ccccc2=Cc2ccccc21,0,BISIQXNDRYMKPP-UHFFFAOYSA-N | |
| CCC(=O)OC1(C(=O)SCF)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=CC4(C)C3(F)[C@@H](O)CC21C,1,WMWTYOKRWGGJOA-BWIYNDDHSA-N | |
| C[C@H]1C[C@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@@]3(Cl)[C@H](O)C[C@@]2(C)[C@@]1(O)C(=O)CO,1,NBMKJKDGKREAPL-DKSUEQDQSA-N | |
| CCCCCCCN(CC)CCC[C@@H](O)c1ccc(NS(C)(=O)=O)cc1,1,ALOBUEHUHMBRLE-HXUWFJFHSA-N | |
| CC1(C)S[C@@H]2[C@H](NC(=O)CCC[C@H](N)C(=O)O)C(=O)N2[C@H]1C(=O)O,0,MIFYHUACUWQUKT-GTQWGBSQSA-N | |
| O=C1CN2CCO[C@]2(c2ccccc2F)c2cc(Br)ccc2N1,1,XDKCGKQHVBOOHC-QGZVFWFLSA-N | |
| COc1ccc(C2C(CO)C2S(=O)(=O)c2ccc(Cl)cc2)cc1,0,QEQNUFKEXGJFCJ-UHFFFAOYSA-N | |
| CCCCCCCCCCCCCCCCOP(=O)(O)OCC[N+](C)(C)C,0,PQLXHQMOHUQAKB-UHFFFAOYSA-O | |
| CC(C)N[C@H]1C2CCC(CC2)[C@]1(O)c1ccc(Cl)c(Cl)c1,1,MQILJMOEUMZBHK-BRXCMPCDSA-N | |
| O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2[nH]cnc2[C@H]1CN1CCCC1,0,CJLJXCDVYJKDTR-QGZVFWFLSA-N | |
| O=C(O)C1=C(CSc2nnnn2CS(=O)(=O)O)CS[C@H]2C(NC(=O)[C@@H](O)c3ccccc3)C(=O)N12,0,DYAIAHUQIPBDIP-DKGPUHFJSA-N | |
| COc1ccc(CCNC[C@@H](O)c2ccc(O)cc2)cc1OC,0,VHSBBVZJABQOSG-MRXNPFEDSA-N | |
| Oc1ccc2c(c1)[C@]13CCCC[C@]1(O)[C@H](C2)N(CC1CC1)CC3,1,STBZIDOIKQNFCQ-ZCNNSNEGSA-N | |
| C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@]2(C)[C@H]1CC[C@@]2(O)C(=O)CO,1,XOFYZVNMUHMLCC-LNIVGLRQSA-N | |
| C(=Cc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1,1,DERZBLKQOCDDDZ-UHFFFAOYSA-N | |
| CC12CC(N)C1CN(c1nc3c(cc1F)c(=O)c(C(=O)O)cn3C1CC1)C2,0,WNVIWAUAXKEKKF-UHFFFAOYSA-N | |
| C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@@H]3CC[C@@]21C,1,YNVGQYHLRCDXFQ-YDETXVTLSA-N | |
| CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1,1,YBBLVLTVTVSKRW-UHFFFAOYSA-N | |
| C[C@@]1(Cn2ccnn2)[C@@H](C(=O)O)N2C(=O)C[C@@H]2S1(=O)=O,0,LPQZKKCYTLCDGQ-QXFUBDJGSA-N | |
| CCC(=O)OC1C(C)OC(OC2C(C)C(=O)OC(C)C(C)C(OC(=O)CC)C(C)C(=O)C3(CO3)CC(C)C(OC3OC(C)CC(N(C)C)C3O)C2C)CC1OC,0,HYQJLIGADHPYIR-UHFFFAOYSA-N | |
| C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CCl,1,FCSHDIVRCWTZOX-FCZCCZPWSA-N | |
| CC12CCC(=O)C=C1CCC1C2C2CC3(C(O)O2)C(C(=O)CO)CCC13,0,QUQBHBRVKLEOEI-UHFFFAOYSA-N | |
| CC1(C)SC2C(NC(=O)C(NC(=O)c3ccc(-c4ccc(S(=O)(=O)N(CCO)CCO)cc4)[nH]c3=O)c3ccc(O)cc3)C(=O)N2C1C(=O)O,0,NAALWFYYHHJEFQ-UHFFFAOYSA-N | |
| CN[C@H]1[C@H](O)[C@H](O[C@@H]2[C@@H](O)[C@@H](O[C@@H]3O[C@H](CN)CC[C@@H]3N)[C@@H](N)C[C@@H]2N)OCC1(C)O,0,VEGXETMJINRLTH-ZASWVXKUSA-N | |
| Cc1nc(-c2csc(=NC(=N)N)[nH]2)c[nH]1,1,GIMNAEMRNXUAQP-UHFFFAOYSA-N | |
| C#CC(O)(C=CCl)CC,1,ZEHYJZXQEQOSON-UHFFFAOYSA-N | |
| O=C(/C(=C/c1ccco1)c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1,1,KISLWAGHRASUGP-RELWKKBWSA-N | |
| CC(C)CC1C(=O)N2CCCC2C2(O)OC(NC(=O)C3C=C4c5cccc6[nH]c(Br)c(c56)CC4N(C)C3)(C(C)C)C(=O)N12,0,OZVBMTJYIDMWIL-UHFFFAOYSA-N | |
| C=Cc1c2[nH]c(c1C)C=C1N=C(C=c3[nH]c(c(CCC(=O)O)c3C)=Cc3[nH]c(c(C)c3CCC(=O)OC)C2)C2(C)C1=CC=C(C(=O)OC)C2C(=O)OC,0,GATHNCVFKVQDNM-UHFFFAOYSA-N | |
| CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1,1,RMHMFHUVIITRHF-UHFFFAOYSA-N | |
| CC(C)(Oc1ccccc1)C(=O)NC1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@@H]12,0,CHEBXWARWMFQKF-WGIUUAEBSA-N | |
| COc1ccc([C@H](CN(C)C)C2(O)CCCCC2)cc1,1,PNVNVHUZROJLTJ-INIZCTEOSA-N | |
| CC[N+]1(CC)CCC(=C(c2ccccc2)c2ccccc2)C1C,0,ZYEPZINLLPPBMI-UHFFFAOYSA-N | |
| CCCCCCCCCCCCCCCCCC(=O)OCC(=O)OCC(=O)C1(O)CCC2C3CC=C4CC(=O)C=CC4(C)C3C(O)CC21C,1,AXABJZBGBSRABB-UHFFFAOYSA-N | |
| CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1,0,RZJQGNCSTQAWON-UHFFFAOYSA-N | |
| O=C(NCCCCN1CCC(Nc2cccc(C(F)(F)F)c2)CC1)c1ccc(Br)cc1,1,VOOFJULDCVIAPZ-UHFFFAOYSA-N | |
| CO/N=C(/C(=O)NC1C(=O)N(OCC(=O)O)C1C)c1csc(N)n1,0,FJKOYBHMMTVFHK-CXUHLZMHSA-N | |
| C[C@H]1C[C@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@@]3(Cl)[C@H](O)C[C@@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl,1,WOFMFGQZHJDGCX-HAERCFPZSA-N | |
| COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@@H]4[C@H](C2)N(C)CC[C@]341,1,OROGSEYTTFOCAN-ITMOTFENSA-N | |
| Cc1cnn(-c2c(Cl)cccc2Cl)c1C(=O)NC1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@@H]12,0,XRCKXULNIUSXFZ-ULQHUPADSA-N | |
| CO/N=C(\C(=O)NC1C(=O)N2C(C(=O)O)=C(C)CS[C@@H]12)c1csc(N)n1,0,MQLRYUCJDNBWMV-PZDMDXOASA-N | |
| CC1(C(=O)O)CCC2(C)CCC3(C)C(=C2C1)CC(=O)C1C2(C)CCC(OC(=O)CCC(=O)O)C(C)(C)C2CCC13C,0,WTRSDYASGDJGGB-UHFFFAOYSA-N | |
| C(=N\NC1=NCCN1)\c1c2ccccc2c(/C=N\NC2=NCCN2)c2ccccc12,0,NJSMWLQOCQIOPE-JEGUCOMDSA-N | |
| COC1=C2OC3C(=O)C=CC4C5CC(C=C1)C2C34CCN5C,1,UUXKJWSSCUHNOY-UHFFFAOYSA-N | |
| O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1CC1CC1,1,MWQCHHACWWAQLJ-UHFFFAOYSA-N | |
| C#CCN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21,1,MFZOSKPPVCIFMT-UHFFFAOYSA-N | |
| C=c1cc(C)[nH]c1=Cc1c(O)[nH]c2ccccc12,1,JGIFSQPBZMIFQM-UHFFFAOYSA-N | |
| O=C1C[C@H]2SC(C3(O)CN4C(=O)C[C@H]4S3)CN12,1,WBHZLVMIBFDJPD-GSUUGLOGSA-N | |
| CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(OC)[C@@H](O)[C@@H](C)O2)[C@H](C)[C@@H](O[C@H]2O[C@@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)[C@H]2N[C@@H](COCCOC)O[C@@H]([C@H]2C)[C@]1(C)O,0,WLOHNSSYAXHWNR-QSLKMCFPSA-N | |
| COc1ccc(C2C(C(N)=S)C2S(=O)(=O)c2ccc(Cl)cc2)cc1,0,KKUPSYPUKNBBPO-UHFFFAOYSA-N | |
| CCC(NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(C)c(C)c1,0,JYJUZBZDWVOQLD-UHFFFAOYSA-N | |
| O=P(O)(O)C(Cc1ccc(Cl)cc1)P(=O)(O)O,0,LZRNAXOJYXLAJN-UHFFFAOYSA-N | |
| CN(C)[C@@H]1C(=O)C(C(=O)NCO)=C(O)C2(O)C(=O)C3=C(O)c4c(O)ccc(Cl)c4C(C)(O)[C@H]3C[C@@H]12,0,BXTHDFJCJQJHKD-GKCWTIPGSA-N | |
| C[C@@H]1[C@@H]2Cc3ccc(O)cc3C1(C)CCN2C,1,YGSVZRIZCHZUHB-YEJMLQPLSA-N | |
| CN(C)[C@@H]1C(=O)C(C(=O)NCN2CCC[C@H](C(=O)O)C2)=C(O)C2(O)C(=O)C3=C(O)c4c(O)cccc4C(C)(O)[C@H]3C[C@@H]12,0,PHNFFWXQFYGESU-PFTOPGEISA-N | |
| CCNC1C2CCC(C2)C1c1ccccc1,1,IKFBPFGUINLYQI-UHFFFAOYSA-N | |
| O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2ccsc2[C@H]1CN1CCCC1,1,UFRFKPDRMYNUAU-GOSISDBHSA-N | |
| CCOC(=O)c1cncn1C(C)c1ccc(F)cc1,1,PTPSMJOSZBOCNF-UHFFFAOYSA-N | |
| COCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\O)c3csc(N)n3)[C@@H]2SC1,0,HOGISBSFFHDTRM-HYPSZOGVSA-N | |
| CCOC(=O)C1=CC2(CC)CCCN3CCc4c(n1c1ccccc41)C32,1,DDNCQMVWWZOMLN-UHFFFAOYSA-N | |
| C[C@H]1C[C@H]2[C@H]3C[C@H](F)C4=CC(=O)C=C[C@@]4(C)[C@@]3(F)[C@H](O)C[C@@]2(C)[C@@]1(O)C(=O)CO,1,WXURHACBFYSXBI-QEMWOABNSA-N | |
| CN1CCN2c3ccccc3Cc3ccccc3C2C1,1,UEQUQVLFIPOEMF-UHFFFAOYSA-N | |
| CC1CCCCC1(c1cccs1)N1CCCCC1,1,DKFAAPPUYWQKKF-UHFFFAOYSA-N | |
| CCOC(=O)CCC(=O)O[C@@H]1[C@H](O[C@H]2[C@H](C)[C@@H](O[C@H]3C[C@@](C)(OC)[C@H](O)[C@H](C)O3)[C@H](C)C(=O)O[C@@H](CC)[C@@](C)(O)[C@H](O)[C@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@@H](C)C[C@H]1N(C)C,0,NSYZCCDSJNWWJL-JXKMNKPLSA-N | |
| CC[C@H](O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1,1,QIRAYNIFEOXSPW-PXNSSMCTSA-N | |
| CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3C=C(C)C4=Cc5c(cnn5-c5ccccc5)C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,1,RKHQGWMMUURILY-UHRZLXHJSA-N | |
| O=C(Cc1cccs1)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc[nH]n3)CS[C@H]12,0,UQWYUAURRDNBKR-BXUZGUMPSA-N | |
| COCCN1CCC23c4c5ccc(O)c4OC2C(=O)CCC3(O)C1C5,1,PBGIBLLOMGURPS-UHFFFAOYSA-N | |
| CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,0,FPPNZSSZRUTDAP-UWFZAAFLSA-N | |
| CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N=Cc3ccco3)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O,0,BWENFVHXWNVVGN-CYJAXWMASA-N | |
| O=C(NCCN1CCN(c2ncccn2)CC1)[C@]12C[C@H]3C[C@@H](C[C@H](C3)C1)C2,1,HPFLVTSWRFCPCV-FIDAZWEUSA-N | |
| NNC(=O)NNN1C(=O)c2cc(S(=O)(=O)O)cc3c(N)c(S(=O)(=O)O)cc(c23)C1=O,0,RFXTZKUPMGFBJD-UHFFFAOYSA-N | |
| COc1cc2oc(C)nc2cc1CN[C@H]1CCCN[C@H]1c1ccccc1,1,SXAIABXANQDJFT-UWJYYQICSA-N | |
| CC1(C)S[C@@H]2[C@H](NC(=O)C34CC5CC(CC(N)(C5)C3)C4)C(=O)N2[C@H]1C(=O)O,0,AZGNYRUNQKZSJQ-LMYIQIHKSA-N | |
| CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C6CCCC6)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C,0,WDZCUPBHRAEYDL-QFWJEWEWSA-N | |
| O=Cc1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)O)cc(=O)c34)cccc2o1,0,KEHHVLYNKJTGRV-UHFFFAOYSA-N | |
| CC(=O)OCC(=O)C1(OC(=O)C(C)C)C(C)CC2C3CC=C4CC(=O)C=CC4(C)C3(F)C(O)CC21C,1,UVIDGRNNPJOEIQ-UHFFFAOYSA-N | |
| COc1ccc(-c2cc(=O)c3c(O)cc(O[C@H]4O[C@@H](CO[C@H]5O[C@H](C)[C@H](O)[C@H](O)[C@@H]5O)[C@H](O)[C@H](O)[C@@H]4O)cc3o2)cc1O,0,GZSOSUNBTXMUFQ-QTEDEYBJSA-N | |
| CCN1CC[C@]23[C@@H]4C=C[C@H](O)[C@@H]2OC2=C(O)C=C[C@H](C[C@@H]41)[C@@H]23,1,JVPOQFUWGPGAOH-YFKNDHLZSA-N | |
| O=c1[nH]c(O)cc[n+]1C1CC(F)C(CO)O1,1,BKIUEHLYJFLWPK-UHFFFAOYSA-O | |
| CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@@H](C)[C@@H](O)[C@H]2O)cc1F,1,GAGWJHPBXLXJQN-BQKRADJCSA-N | |
| NCCc1nc(-c2ccccc2)cs1,0,PBZAFLUKYPTHFG-UHFFFAOYSA-N | |
| CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N\N5CCN(C6CCCC6)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C,0,WDZCUPBHRAEYDL-GHGMDBEHSA-N | |
| CS(=O)(=O)c1ccc([C@H](O)[C@@H](CF)NC(=O)C(Cl)Cl)cc1,1,AYIRNRDRBQJXIF-ZJUUUORDSA-N | |
| CNC[C@@]1(c2ccccc2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,1,HMRUOZJONLJVAQ-PFLFQYNRSA-N | |
| CN(C)[C@@H]1C(O)=C(C(=O)NCO)C(=O)C2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4C(C)(O)[C@H]3C[C@@H]12,0,GJGDLRSSCNAKGL-GKCWTIPGSA-N | |
| CN1CCCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,1,WEUCDJCFJHYFRL-UHFFFAOYSA-N | |
| C=CCN1CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC,1,RYJXBGGBZJGVQF-GFCCVEGCSA-N | |
| Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccccc3)C2(CN)CN)cc1,1,PDCYAMKYUIFTQG-IAGOWNOFSA-N | |
| CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@@H](OC(=O)c2ccccc2)[C@@]2(O)C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C,0,RCINICONZNJXQF-FFJAJSNESA-N | |
| COc1ccc2c3c1OC1CC(O)C=C(CN(C)C2)C31,1,DUORFEVRBJRYIB-UHFFFAOYSA-N | |
| CCCNC(=O)c1ccc2c(c1)N(CCN1CCCC1)c1ccccc1S2,1,MVCDUMVTRWSKJM-UHFFFAOYSA-N | |
| NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O,0,DMDGGSIALPNSEE-UHFFFAOYSA-N | |
| CC1CCCC(C)N1CCCC(O)(c1ccccc1)c1ccccn1,0,APUDBKTWDCXQJA-UHFFFAOYSA-N | |
| CC(O)(CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1cc2ccccc2o1,1,ZAEGSSCNPIFOTQ-UHFFFAOYSA-N | |
| CCN(CC)CCOC(=O)[C@@H]1N2C(=O)C(NC(=O)c3c(OC)cccc3OC)[C@@H]2SC1(C)C,0,HBOSVRMWGCNXAB-VLQCZPCNSA-N | |
| C=CC[C@@]1([C@@H](C)CCC)C(=C)NC(O)=NC1=O,1,NWFXVIODKCPIRN-TVQRCGJNSA-N | |
| CN1C(=O)CC(c2ccccc2)C1=O,1,WLWFNJKHKGIJNW-UHFFFAOYSA-N | |
| C[C@@H]1O[C@@H](O[C@H]2C[C@](O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)C[C@H](N)[C@@H]1O,0,XVXGYZFARCOVHS-BINOZUKVSA-N | |
| CCCCCCCCCCCCCCCC(=O)OCCC1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1,1,KTOYYUONFQWSMW-UHFFFAOYSA-N | |
| O=C1CSC2(CCN(CCCN3c4ccccc4Sc4ccc(Cl)cc43)CC2)N1,1,CFOYBMUYCBSDAL-UHFFFAOYSA-N | |
| NC(=O)c1cnn([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1,1,XAZIMCJWLQZWBM-UNGCPHIMSA-N | |
| CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(N)=O)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1,0,HHJUWIANJFBDHT-KOTLKJBCSA-N | |
| CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)C(C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O,0,MQTOSJVFKKJCRP-OHJWJPDZSA-N | |
| C[C@@H]1N=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2NC1=O,1,LMUVYJCAFWGNSY-VIFPVBQESA-N | |
| C[C@H]1O[C@@]2(CCCC[C@H]2Oc2cccc(Cl)c2)NC1=O,1,PSHBCUHYCLAGPZ-WDBKCZKBSA-N | |
| CCCCS(=O)(=O)NC(Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O,0,COKMIXFXJJXBQG-UHFFFAOYSA-N | |
| CO[C@@H]1/C=C\O[C@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C/C=C/[C@@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C,0,NZCRJKRKKOLAOJ-GVNNXKAFSA-N | |
| N#CCNC1CCc2ccccc21,1,YNSPXBACMLSRSV-UHFFFAOYSA-N | |
| COc1ccc2c(c1)N(CC(C)CN1CCC(O)CC1)c1ccccc1S2,1,WYRWAVVTDKZRIJ-UHFFFAOYSA-N | |
| CN1CCC23c4c5ccc(O)c4O[C@@H]2[C@@H](O)C=C[C@@H]3C1C5,1,BQJCRHHNABKAKU-HVZDXSSYSA-N | |
| COC1=C2O[C@H]3C(=O)C=C[C@H]4[C@H]5CC(C=C1)C2[C@@]34CCN5C,1,UUXKJWSSCUHNOY-XLJHGZGOSA-N | |
| CC1(C)OC2CC3C4CC(F)C5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(C(=O)CO)O1,1,FEBLZLNTKCEFIT-UHFFFAOYSA-N | |
| COc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2SCC(=O)NCC2CCCO2)cc1,1,AWFJVVIOWBLACB-UHFFFAOYSA-N | |
| CN(C)CCCN1c2ccccc2C=Cc2sccc21,1,JFAOODCMLJZILM-UHFFFAOYSA-N | |
| COC(=O)[C@@H]1[C@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2C[C@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]1OC,1,CVBMAZKKCSYWQR-ISSOUQRSSA-N | |
| CCC[C@H]1C[C@@H](C(=O)N[C@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](C)O)N(C)C1,0,OJMMVQQUTAEWLP-PHMCCICRSA-N | |
| CCCCCCCNC(=O)Oc1ccc2c(c1)C1(C)CCN(C)[C@H]1N2C,1,RRGMXBQMCUKRLH-ZQRQZVKFSA-N | |
| COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(OC)c3CN1CC2,0,AEQDJSLRWYMAQI-KRWDZBQOSA-N | |
| CCS(=O)(=O)c1ccc(-c2ccc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1,1,DOWMHKGEUBGVCN-UHFFFAOYSA-N | |
| CN1CCN(C2=c3ccccc3=Nc3ccc(Cl)cc3N2)CC1,1,ZUXABONWMNSFBN-UHFFFAOYSA-N | |
| CC(C)NCC(O)COc1cccc2[nH]ccc12,0,JZQKKSLKJUAGIC-UHFFFAOYSA-N | |
| CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12,0,AHEVKYYGXVEWNO-UCZMGVJWSA-N | |
| C=CCc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)c1O,1,YQNRVGJCPCNMKT-LFVJCYFKSA-N | |
| CN(N=O)C(=O)NC1C(O)OC(CO)C(O)C1O,0,ZSJLQEPLLKMAKR-UHFFFAOYSA-N | |
| Cc1cc(=O)c(C(=O)N[C@@H](C(=O)NC2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)c[nH]1,0,PWAUCHMQEXVFJR-JIUDAOPXSA-N | |
| Cc1cc(C)c(/C=C2\C(=O)Nc3ccccc32)[nH]1,1,WUWDLXZGHZSWQZ-WQLSENKSSA-N | |
| COC(=O)[C@@H]1C(O)=CC(Nc2cccc(OC(F)(F)F)c2)=C[C@@H]1C,1,KGJBJZQTTMYGDI-XPTSAGLGSA-N | |
| COC1=CC=C2C3Cc4ccc(OC)c5c4C2(CCN3C)C1O5,1,FQXXSQDCDRQNQE-UHFFFAOYSA-N | |
| c1ccc([C@@H]2CN3CCSC3=N2)cc1,1,HLFSDGLLUJUHTE-JTQLQIEISA-N | |
| O[C@](CCN1CCCCC1)(c1ccccc1)[C@@H]1C[C@H]2C=C[C@H]1C2,1,YSXKPIUOCJLQIE-FMWKFLBASA-N | |
| Cc1cccc(N2CCN(CCc3cc(C)n[nH]3)CC2)c1,1,IYBFBADVQPQHLQ-UHFFFAOYSA-N | |
| O=C(O)CCCCCC[NH2+]C1c2ccccc2CCc2ccccc21.[Cl-],1,VDPUXONTAVMIKZ-UHFFFAOYSA-N | |
| CC(=O)OCC(=O)[C@@]1(O)[C@H](OC(C)=O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,1,XGMPVBXKDAHORN-RBWIMXSLSA-N | |
| CN(C(=O)C(Cl)Cl)c1ccc(O)cc1,1,GZZZSOOGQLOEOB-UHFFFAOYSA-N | |
| CC(C)=CCN1CCC2(C)c3cc(O)ccc3CC1C2C,1,VOKSWYLNZZRQPF-UHFFFAOYSA-N | |
| COc1cc(C(=O)N2CCOCC2)cc(OC)c1OC,1,XWVOEFLBOSSYGM-UHFFFAOYSA-N | |
| C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@H]1CC[C@@]2(O)C(=O)COC(=O)CCC(=O)O,1,VWQWXZAWFPZJDA-UWZJJYICSA-N | |
| CN(C)C1C(=O)C(C(=O)NCNCCCCC(N)C(=O)O)C(=O)C2(O)C(=O)C3C(=O)c4c(O)cccc4C(C)(O)C3CC12,0,DZTKAWPWXGIREW-UHFFFAOYSA-N | |
| NC[C@]1(CO)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1,0,MOCLUVQWQPIJMY-IKGGRYGDSA-N | |
| CCCCCCCNC(=O)Oc1ccc2c(c1)C1(C)CCN(C)C1N2C,1,RRGMXBQMCUKRLH-UHFFFAOYSA-N | |
| c1ccc2oc(-c3ccncc3)cc2c1,1,LGTULKCVKOMQDR-UHFFFAOYSA-N | |
| CCC[C@@](C)(O)[C@H]1CC23C=CC1(OC)[C@H]1Oc4c(OC(C)=O)ccc5c4C12CCN(C)C3C5,1,LFYBMMHFJIAKFE-XRACTLHESA-N | |
| CN(C)CCC(=O)COc1ccc(Cl)cc1,1,OMIRPIDZTUKFCT-UHFFFAOYSA-N | |
| CCCCCCCCCCCCCC(=O)O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(OCc5ccccc5)c5c4[C@@]2(CCN3C)[C@H]1O5,1,GODGZZGKTZQSAL-VXFFQEMOSA-N | |
| COc1ccc(CC(=O)N2CCN(C(C)=O)CC2CN2CCC(O)C2)cc1,0,KPROYTOCROSGBH-UHFFFAOYSA-N | |
| CC(=O)OCC(=O)C1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=CC4(C)C3(F)[C@@H](O)CC21C,1,ZOCUOMKMBMEYQV-PDHKXLCESA-N | |
| CC(=O)c1ccc([C@H](O)[C@H](CO)NC(=O)C(Cl)Cl)cc1,1,PKUBDVAOXLEWBF-QWRGUYRKSA-N | |
| CCC(=O)O[C@@]1(C(=O)SC)[C@H](C)C[C@H]2[C@H]3C[C@H](F)C4=CC(=O)C=C[C@@]4(C)[C@@]3(F)[C@H](O)C[C@]21C,1,DRXCUKXWTNOXTD-IFDBWHCCSA-N | |
| C[C@@H]1C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](F)C[C@@]2(C)[C@@H]1C(=O)CO,1,MBRXSOUHUFBPQC-IIDFSOFBSA-N | |
| O=S(=O)(c1ccc(Cl)cc1)C1C(CO)C1c1ccccc1,1,LWUQMQUMQLZFBY-UHFFFAOYSA-N | |
| COc1ccc(C(Nc2ncccc2C(N)=O)C2CC(O)C2)cc1F,0,VICOZZWNFLAXHV-UHFFFAOYSA-N | |
| COC1(NC(=O)[C@@H](C(=O)O)c2ccsc2)C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]21,0,BVCKFLJARNKCSS-ZJLJEUSSSA-N | |
| CC1C=C2CC(=O)CCC2(C)C2CCC3(C)C(CCC3(C)O)C12,0,OCQIYDBQGXNBHK-UHFFFAOYSA-N | |
| CC12C=C(Br)C(=O)C=C1[C@H](F)CC1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,1,MYZDPUZXMFCPMU-ZQPUQSGHSA-N | |
| O=C1CCC(C(=O)NC(c2ccc(F)cc2)C2CC(O)C2)=NN1,1,DXJVOYZSSJIYIL-UHFFFAOYSA-N | |
| COc1cc2c(cc1OC)[C@@H](c1ccccc1)CN(C)CC2,1,ICPHJSKVAZMKIV-QGZVFWFLSA-N | |
| NC(=O)OCC1[C@H](NC(=O)/C(=N\OCC(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O,0,UIMOJFJSJSIGLV-OLYSPXGSSA-N | |
| CC(=O)O.CN1CCc2cc(Cl)c(O)cc2[C@@H](c2cccc3c2OCC3)C1,1,XWEWSCUVTBLEBS-PKLMIRHRSA-N | |
| O=C(N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl,0,WIIZWVCIJKGZOK-IUCAKERBSA-N | |
| OCCN1CC(O)C(O)C(O)C1CO,0,IBAQFPQHRJAVAV-UHFFFAOYSA-N | |
| C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl,1,WOFMFGQZHJDGCX-NKEDMXMMSA-N | |
| NCCn1ncc2cc(Cl)c(Cl)cc21,1,QLRYUDMLENPYFS-UHFFFAOYSA-N | |
| CCC(C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1,1,AYDXAULLCROVIT-UHFFFAOYSA-N | |
| Fc1ccc2[nH]c3c(c2c1)CN(CCc1ccncc1)CC3,1,PMXOASNGMJAYTN-UHFFFAOYSA-N | |
| Cc1ccc2c(c1)OC(C)(C)CC2NC(=O)CSCc1ccc([N+](=O)[O-])cc1,1,FBFSEVBAWFZAFR-UHFFFAOYSA-N | |
| CC1(C)S[C@H]2C(NC(=O)[C@H](c3ccccc3)S(=O)(=O)O)C(=O)N2[C@H]1C(=O)O,0,JETQIUPBHQNHNZ-BPSLWTDRSA-N | |
| CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl,0,RZTAMFZIAATZDJ-OAHLLOKOSA-N | |
| Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)cc1,0,XGZVYPFWXQSRDY-VXKWHMMOSA-N | |
| N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1,0,XDRYMKDFEDOLFX-UHFFFAOYSA-N | |
| CN(C)CCOC(c1ccccc1)c1ccccc1C(C)(C)C,1,OGNRRAFRDFGFKA-UHFFFAOYSA-N | |
| Cc1cccc(Cc2cnc[nH]2)c1C,1,RHDJRPPFURBGLQ-UHFFFAOYSA-N | |
| C[n+]1ccccc1C=NO,1,JBKPUQTUERUYQE-UHFFFAOYSA-O | |
| CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(C#N)nc1OCCO,1,YQABUUDNACVDEO-UHFFFAOYSA-N | |
| CP(C)(=O)CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21,1,JMYCGCXYZZHWMO-UHFFFAOYSA-N | |
| CCC(Br)(CC)C(=O)NC(=O)NC(C)=O,1,SAZUGELZHZOXHB-UHFFFAOYSA-N | |
| C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@H](CC)C(=O)N(C)CC(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C,0,PMATZTZNYRCHOR-ZGRQSANDSA-N | |
| C/C(=C/CCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1,1,YBPJJOQQWQASHM-SWNXQHNESA-N | |
| CC(=O)OCC(=O)C1C(C)CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(Cl)C(O)CC21C,1,ARPLCFGLEYFDCN-UHFFFAOYSA-N | |
| CCC1(O)CC(OC2CC(N(C)C)C(OC3CC4OC5CC(=O)C(C)OC5OC4C(C)O3)C(C)O2)C2=C(C(=O)c3c(c(O)c4c(O)cccc4c3O)C2=O)C1OC1CC(N(C)C)C(O)C(C)O1,0,ATNNCFCRRMUMSC-UHFFFAOYSA-N | |
| COc1cc2c(c(CN[C@@H]3CCCN[C@H]3c3ccccc3)c1)OCC2,1,ZZYXQLUAWYPDEQ-UXHICEINSA-N | |
| C[C@@H]1NC(=O)CO[C@H]1c1ccccc1,1,UJEPHPADGSWWRM-GZMMTYOYSA-N | |
| COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12,0,FABPRXSRWADJSP-MEDUHNTESA-N | |
| O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2ccccc2C1CN1CCCC1,1,ATTHVGBIVYJECI-UHFFFAOYSA-N | |
| CCCNC(=O)c1ccc2c(c1)N(C(C)CN1CCCC1)c1ccccc1S2,1,KXMAIWXPZGQNCR-UHFFFAOYSA-N | |
| CCCN1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1,1,ZRCUMOBNOPSLKM-UHFFFAOYSA-N | |
| CN=C(C[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1,0,XPZQPVYGEOEOKS-UHFFFAOYSA-N | |
| Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,1,SIXLXDIJGIWWFU-UHFFFAOYSA-N | |
| C[C@H]1NC(=O)CO[C@H]1c1ccccc1,1,UJEPHPADGSWWRM-LDYMZIIASA-N | |
| CC(=O)Nc1cccc(O)c1,1,QLNWXBAGRTUKKI-UHFFFAOYSA-N | |
| CN[C@@H]1[C@H](O)[C@@H](O[C@@H]2[C@H](O)[C@H](O[C@H]3O[C@H](CN)CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O,0,VEGXETMJINRLTH-ALRICIOSSA-N | |
| O=C1NCC(c2ccccc2)C2(CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)O1,1,VEZFZDPMCIZCLQ-UHFFFAOYSA-N | |
| CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1,1,NYKCGQQJNVPOLU-ONTIZHBOSA-N | |
| CCC(=O)C1(O)CCC2C3CC=C4CC(=O)CCC4(C)C3C(O)CC21C,1,HZWXISQXZYSJQB-UHFFFAOYSA-N | |
| CCCC(=O)O[C@@]1(C(=O)COC(C)=O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](O)C[C@]21C,1,OVTRPNSKIPQZEC-STRKTCGPSA-N | |
| O=C(Cc1ccc(Cl)c(Cl)c1)N1CCn2ncnc2[C@H]1CN1CCCC1,1,GEMQOTQZNVHANG-MRXNPFEDSA-N | |
| O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12,1,ZQSIJRDFPHDXIC-UHFFFAOYSA-N | |
| CC1(C)O[C@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=CC5(C)C4(Cl)[C@@H](Cl)CC3(C)C2(C(=O)CF)O1,1,OGZHZYVCWDUIJV-RUZNKVKOSA-N | |
| O=C1NCCC[C@@H]1N1C(=O)c2ccccc2S1(=O)=O,1,QQWLXNMPPFCVCD-VIFPVBQESA-N | |
| CC1CC2C3CC=C4CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(OC(=O)c1ccccc1)C(=O)CO,1,IKWOOLFDTDZSII-UHFFFAOYSA-N | |
| Cc1ccc(C(C)C)c(OCC2=NCCN2)c1,0,QRORCRWSRPKEHR-UHFFFAOYSA-N | |
| CC1CCN(CCC2CCN2S(=O)(=O)C2=CC(O)=CCC2)CC1,1,XNFBTUWYUQMQSW-UHFFFAOYSA-N | |
| CC(=O)OCC(=O)C1(O)CCC2C3CC=C4CC(=O)C=CC4(C)C3(Cl)C(Cl)CC21C,1,MVHXUCZGVIIWIV-UHFFFAOYSA-N | |
| CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccc(O)cc3)C2SC1,0,BOEGTKLJZSQCCD-UHFFFAOYSA-N | |
| CCC(C)(C)C,1,HNRMPXKDFBEGFZ-UHFFFAOYSA-N | |
| CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@H](O)[C@H]3C[C@@H]12,0,FMTDIUIBLCQGJB-SMNOWXJTSA-N | |
| CC1(C)OC2CC3C4CC(F)C5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(C(=O)COC(=O)C2CC2)O1,1,TZBDXWBBMOEVPI-UHFFFAOYSA-N | |
| CC(C)[N+]1(C)[C@@H]2CC[C@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2,0,OEXHQOGQTVQTAT-SSZRJXQFSA-N | |
| CCCCCCCCCCCCCCCCCC(=O)OCC(=O)OCC(=O)C1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=CC4(C)[C@H]3C(O)CC21C,1,RBJROVWIRLFZFC-ZYGBPDPQSA-N | |
| CCNC[C@H](C)c1cccc(C(F)(F)F)c1,1,MQEHQCXEVYQAPJ-VIFPVBQESA-N | |
| c1csc(Cc2ccccc2OCC2CNCCO2)c1,1,OILWWIVKIDXCIB-UHFFFAOYSA-N | |
| CN(C)CCC1(c2ccccc2)CCc2ccccc2C1=O,1,IOKKIRANVRFSAH-UHFFFAOYSA-N | |
| CN1C2CCC1CC(OC(c1ccccc1)c1ccccc1)C2,1,GIJXKZJWITVLHI-UHFFFAOYSA-N | |
| O=C1OC(CO)C(O)C(O)C1O,0,PHOQVHQSTUBQQK-UHFFFAOYSA-N | |
| Nc1ccn(C2CSC(CO)O2)c(=O)n1,0,JTEGQNOMFQHVDC-UHFFFAOYSA-N | |
| CCC(NC(=O)C(C)SCc1ccccc1)c1ccc(S(C)(=O)=O)cc1,1,JNBTYKVPROTMPB-UHFFFAOYSA-N | |
| COc1ccc(OC(F)(F)F)cc1CNC1CCCNC1c1ccccc1,1,ZIWFCOIGUNPHPM-UHFFFAOYSA-N | |
| CC(=O)OCC1OC(n2ncc(=O)[nH]c2=O)C(OC(C)=O)C1OC(C)=O,0,QQOBRRFOVWGIMD-UHFFFAOYSA-N | |
| CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1,1,KQXKVJAGOJTNJS-HNNXBMFYSA-N | |
| CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O.O.O.O,0,MQXQVCLAUDMCEF-CWLIKTDRSA-N | |
| COC(=O)COc1ccc([C@H](CC(=O)OC)c2c3[nH]snc-3ccc2=O)cc1OC,0,UOOMEMBFKJOSNB-LBPRGKRZSA-N | |
| C1=CCC2=C3C(=NC2=C1)CCNC3Cc1ccccc1,1,KYXCGOVTLUCXAM-UHFFFAOYSA-N | |
| O=C(NCCN1CCOCC1)c1ccc(Cl)cc1,1,YHXISWVBGDMDLQ-UHFFFAOYSA-N | |
| CO/N=C(/C(=O)N[C@@H]1C(=O)N(OCC(=O)OCC(=O)OC(C)(C)C)[C@H]1C)c1csc(N)n1,0,QPWVHJDIDXILDG-HKOMJXKTSA-N | |
| CCCC(C)C1(CC)C(=O)NC(=S)NC1=O,0,IUJDSEJGGMCXSG-UHFFFAOYSA-N | |
| CCS(=O)(=O)C1C(C#N)C1c1ccc2c(c1)OCO2,1,FSQXCUXYKLTCKP-UHFFFAOYSA-N | |
| O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@@H]1O,1,ADIMAYPTOBDMTL-OAHLLOKOSA-N | |
| COCC1(C#N)C(c2ccc3c(c2)OCO3)C1S(=O)(=O)c1ccccc1,0,NIVOSQLITCKFAG-UHFFFAOYSA-N | |
| Clc1ccc2c(c1)[C@H]1CNC[C@@H]1c1ccccc1O2,1,DQUCRGAOGUQHJQ-ZIAGYGMSSA-N | |
| CC(=O)C1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O,0,XDXDZDZNSLXDNA-RNCFTUCDSA-N | |
| COc1cccc(C2CC(=O)Oc3cc(C)oc(=O)c32)c1OCCc1ccccc1,0,TZMNVDNPXJKCHC-UHFFFAOYSA-N | |
| Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CS/C=C/C#N)[C@H]2SC1,0,JXHWKLWIYBATLL-WQLMKKEISA-N | |
| CN(C)Cc1ccnc(-c2cccc(N[C@H]3N=CC=C3[N+](=O)[O-])c2)c1,1,JTVAVCUEZQNBKG-GOSISDBHSA-N | |
| CCC(C)[C@H](CC)C(N)=O,1,QRCJOCOSPZMDJY-MLWJPKLSSA-N | |
| O=C(c1ccc(F)cc1)N1CCN(c2ccc(OCCCN3CCCCC3)cc2)C(=O)C1,0,GXILWBIQFGWJQN-UHFFFAOYSA-N | |
| CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1,1,OJGDCBLYJGHCIH-UHFFFAOYSA-N | |
| C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)OC(=O)CC[C@@H]12,0,BPEWUONYVDABNZ-DZBHQSCQSA-N | |
| CCCCNC(=O)OCC(C)(CCC)COC(N)=O,1,PRBORDFJHHAISJ-UHFFFAOYSA-N | |
| CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(C(=O)N2CCCC2C(=O)NC(CC(C)C)C(=O)NCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC1=O,0,XNOPRXBHLZRZKH-UHFFFAOYSA-N | |
| COc1cc2c(cc1OC)CN(C(=O)CC1NC(=O)N(c3ccc(C(C)C)cc3)C1=O)CC2,0,OXDNDLSEKTXRTP-UHFFFAOYSA-N | |
| CC(C)(C)CC(=O)OCC(=O)C12OC(C)(C)OC1CC1C3C=C4CC(=O)C=CC4(C)C3(F)C(O)CC12C,1,PKCAKGWPAHJVMB-UHFFFAOYSA-N | |
| CC1(c2ccccc2)O[C@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(C(=O)CO)O1,1,HCKFPALGXKOOBK-MSLSIWLISA-N | |
| CN1C[C@@H](NS(=O)(=O)N(C)C)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21,1,JLVHTNZNKOSCNB-YSVLISHTSA-N | |
| CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)c4c(O)cccc4[C@@H](O)[C@H]3C[C@@H]12,0,RMVMLZHPWMTQGK-OSYSIGQGSA-N | |
| CC(O)C1C(=O)N2C(C(=O)O)=C(SC3CC[S+]([O-])C3)SC12,0,FLSUCZWOEMTFAQ-UHFFFAOYSA-N | |
| CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(c3ccc(N(C)C)cc3)CC21C,0,VKHAHZOOUSRJNA-UHFFFAOYSA-N | |
| Nc1ncc(/C(=N\O[C@H]2CCNC2=O)C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CN4C=CCC=C4)CS[C@@H]23)s1,0,LCTNQHSWNZSGRP-RBHOCMRLSA-N | |
| Cc1ccc(SC(C)C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1,1,PJSROWFCMNYIRV-UHFFFAOYSA-N | |
| C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl,0,AVOLMBLBETYQHX-UHFFFAOYSA-N | |
| CCOCC1(N)C(c2ccc(OC)cc2)C1S(=O)(=O)c1ccccc1,0,RBAFYCGFHZOGBJ-UHFFFAOYSA-N | |
| CN(C)C(C)(CO)Cc1ccc(Cl)c(Cl)c1,1,FWYRGHMKHZXXQX-UHFFFAOYSA-N | |
| C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,1,UREBDLICKHMUKA-KLHOLMHXSA-N | |
| NCCC(O)(P(=O)(O)O)P(=O)(O)O,0,WRUUGTRCQOWXEG-UHFFFAOYSA-N | |
| CN=C(Cc1ccc2ccccc2c1)[NH2+]C.[Cl-],1,WEDBCIMSKMMRAG-UHFFFAOYSA-N | |
| COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)C[C@@H]3O[C@@H]1C[C@H](N)[C@H](O[C@H]2CCCCO2)[C@H](C)O1,0,KMSKQZKKOZQFFG-LGSILUDNSA-N | |
| C=CC1(C)CC(OC(=O)CSC2CC3CCC(C2)N3C)C2(C)C(C)CCC3(CCC(=O)C32)C(C)C1O,0,STZYTFJPGGDRJD-UHFFFAOYSA-N | |
| COc1cc2sc(C3CC3)nc2cc1CNC1CCCNC1c1ccccc1,1,JDRGRKWIVKDYHL-UHFFFAOYSA-N | |
| CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)[C@@H]3C45CCN4CC=C[C@](CC)([C@H]45)[C@@H](OC(C)=O)[C@]3(O)C(=O)OC)C2)C1,0,JXLYSJRDGCGARV-VOEAKENLSA-N | |
| CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@@H]3[C@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@]32C)/C1=C(/CCC=C(C)C)C(=O)O,1,IECPWNUMDGFDKC-UWOFSMMYSA-N | |
| CC[C@@H]1OC(=O)[C@@H](C)[C@@H](O[C@@H]2CC(C)(OC)[C@@H](O)[C@H](C)O2)C(C)[C@H](O[C@@H]2O[C@@H](C)C[C@H](N(C)C)[C@@H]2O)C(C)(O)C[C@H](C)C(=O)[C@@H](C)[C@@H](O)C1C,0,IDRYSCOQVVUBIJ-YXBVQPGOSA-N | |
| CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)[C@H](CC2=CNC3C=CC=CC23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O,0,OGQRCNLCNGDACE-AJERITESSA-N | |
| O=C1[C@H](O)N=C(c2ccccc2F)c2cc(Cl)ccc2N1CCO,1,VOJLELRQLPENHL-INIZCTEOSA-N | |
| Cc1ccccc1C,1,CTQNGGLPUBDAKN-UHFFFAOYSA-N | |
| C=C1Cc2c(CCN(CCC)CCC)ccc(O)c2N1,1,TVSOQPJYVFOMJD-UHFFFAOYSA-N | |
| CC1(C)S[C@@H]2[C@@H](NC(=O)[C@H](NC(=O)c3ccc(-c4ccc(S(=O)(=O)N(CCO)CCO)cc4)[nH]c3=O)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O,0,NAALWFYYHHJEFQ-UBRKHCEVSA-N | |
| C[C@H](N[C@@H](C)CCc1ccccc1)[C@@H](O)c1ccc(O)cc1,0,PTGXAUBQBSGPKF-YZVOILCLSA-N | |
| NCc1ccccc1CC(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3CC(=O)O)CS[C@@H]12,0,SLAYUXIURFNXPG-YJBOKZPZSA-N | |
| C1COC(=NC(C2CC2)C2CC2)N1,0,CQXADFVORZEARL-UHFFFAOYSA-N | |
| O=C(O)[C@@H]1C[C@H](CP(=O)(O)O)CCN1,1,LPMRCCNDNGONCD-RITPCOANSA-N | |
| CC12CCC3C(CCC4=C(O)C(=O)CCC43C)C1CCC2=O,0,OSVMTWJCGUFAOD-UHFFFAOYSA-N | |
| C[C@H](N)Cc1ccccc1,1,KWTSXDURSIMDCE-QMMMGPOBSA-N | |
| Cc1ccc([C@@H](C)NC(=O)CCSc2ccccc2)cc1C,0,KNOLTUYYPNZZBI-MRXNPFEDSA-N | |
| CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O,0,GMVPRGQOIOIIMI-DWKJAMRDSA-N | |
| O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,0,PBMSWVPMRUJMPE-UHFFFAOYSA-N | |
| CC(CF)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12,1,QHLGXPUIUKSADT-ABLWVSNPSA-N | |
| C[C@@H](CC1c2ccccc2CCc2ccccc21)CN(C)C,1,ALELTFCQZDXAMQ-INIZCTEOSA-N | |
| CC(=O)C1(O)CCC2C3=CC(C)=C4CC(=O)CCC4(C)C3CCC21C,0,XFVQIVAAMLIGHF-UHFFFAOYSA-N | |
| COc1ccc(C2C(S(=O)(=O)c3ccc(C)cc3)C2(C#N)C=O)cc1,1,NUBHEBBYQNIHIF-UHFFFAOYSA-N | |
| C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO,1,PIDANAQULIKBQS-LQRVFNPKSA-N | |
| CC(C)(C)CC(=O)OCC(=O)C1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=CC4(C)[C@H]3C(O)CC21C,1,HUMXXHTVHHLNRO-RIKBCNANSA-N | |
| Cc1ccc(C(=O)c2ccc(CC(=O)O)n2C)cc1,1,UPSPUYADGBWSHF-UHFFFAOYSA-N | |
| CCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,0,VFYNXKZVOUXHDX-UHFFFAOYSA-N | |
| CC(=O)OC1CC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CCC5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)OC(C)C1O,0,HPMZBILYSWLILX-UHFFFAOYSA-N | |
| CCCN1CCCCC1C(=O)Nc1c(C)cccc1C,1,ZKMNUMMKYBVTFN-UHFFFAOYSA-N | |
| CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,1,AKUJBENLRBOFTD-QZIXMDIESA-N | |
| C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(C)C(=O)CO,1,FXBVINCSIJOIGL-WPKDMHKKSA-N | |
| CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,0,OENHQHLEOONYIE-UHFFFAOYSA-N | |
| O=C(c1cc(-c2ccc(Br)s2)[nH]n1)N1CC2CC(C1)c1cccc(=O)n1C2,0,ZIWPNTSPVDDRIP-UHFFFAOYSA-N | |
| CCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)=CC=CC(C)C(=O)N2)O4,0,DIJFUURUWLBFGW-UHFFFAOYSA-N | |
| CN(C)[C@@H]1C(O)=C(C(=O)NCN[C@H](C(=O)NC2C(=O)N3[C@@H](C(=O)O)C(C)(C)S[C@@H]23)c2ccccc2)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)[C@H]3C[C@@H]12,0,ZVVMCQBZCQRRME-RIARHAMOSA-N | |
| CC1(C)OC2CC3C4CC(F)C5=CC(=O)C=CC5(C)C4(Cl)C(Cl)CC3(C)C2(C(=O)CF)O1,1,OGZHZYVCWDUIJV-UHFFFAOYSA-N | |
| CCNC(Cc1ccccc1)[C@@H]1CCCO1,1,DOFCLOLKFGSRTG-KZUDCZAMSA-N | |
| COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@H]3O[C@H]5CO[C@H](C)O[C@@H]5[C@H](O)[C@H]3O)[C@@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1O,0,VJJPUSNTGOMMGY-SIBGAFTJSA-N | |
| C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C,0,PMATZTZNYRCHOR-CGLBZJNRSA-N | |
| CN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3csc(N)n3)[C@@H]2SC1,0,QYQDKDWGWDOFFU-DOMZBBRYSA-N | |
| CC(=O)C[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O,0,PJVWKTKQMONHTI-HNNXBMFYSA-N | |
| CCCC(O)Cl,1,LVZIWKFQFKNSMO-UHFFFAOYSA-N | |
| CCN(CC)C(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1,1,NLRFFZRHTICQBO-UHFFFAOYSA-N | |
| COc1ccc2c3c([nH]c2c1)[C@@H]1C[C@H]2[C@H](C[C@H](OC(=O)c4cc(OC)c(OC)c(OC)c4)[C@H](OC)[C@H]2OC(C)=O)CN1CC3,1,MDMGHDFNKNZPAU-DVWLFUTGSA-N | |
| CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COC(=O)CCC(=O)O,1,APGDTXUMTIZLCJ-UHFFFAOYSA-N | |
| CCC(C)CC,1,PFEOZHBOMNWTJB-UHFFFAOYSA-N | |
| CN1CCC(CN2c3ccccc3Sc3ccccc32)C1,1,HTMIBDQKFHUPSX-UHFFFAOYSA-N | |
| C[C@H](CN(C)C)CN1c2ccccc2Sc2ccc(C#N)cc21,1,SLFGIOIONGJGRT-CQSZACIVSA-N | |
| CN1C[C@@H](NS(=O)(=O)N(C)C)C[C@H]2c3cccc4c3c(cn4C)C[C@@H]21,1,JLVHTNZNKOSCNB-QRTARXTBSA-N | |
| CCN[C@@H]1C[C@@H](N)[C@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@@H]1O[C@@H]1OC[C@@](C)(O)[C@@H](NC)[C@@H]1O,0,CIDUJQMULVCIBT-RBFVFDAYSA-N | |
| CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,1,RJKFOVLPORLFTN-UHFFFAOYSA-N | |
| CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1,0,PVHUJELLJLJGLN-MRXNPFEDSA-N | |
| CC(C)(C)C(=O)OCOC(=O)C1N2C(=O)[C@@H](N=CN3CCCCCC3)[C@H]2SC1(C)C,0,NPGNOVNWUSPMDP-XZDBBAETSA-N | |
| CC(C)=CCN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C,1,VOKSWYLNZZRQPF-DNOPENIRSA-N | |
| C=CCN1CCC23c4c5ccc(O)c4O[C@@H]2C(=O)CCC3(O)C1C5,1,UZHSEJADLWPNLE-UIOSHYFSSA-N | |
| CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N(CC(=O)O)C1Cc2ccccc2C1,0,WOUOLAUOZXOLJQ-UHFFFAOYSA-N | |
| CC1OC2(CCCCC2Oc2cccc(Cl)c2)NC1=O,1,PSHBCUHYCLAGPZ-UHFFFAOYSA-N | |
| CC(C)(C)/[N+]([O-])=C\c1cc[n+]([O-])cc1,1,RNRMWTCECDHNQU-XYOKQWHBSA-N | |
| Cc1cn(C2CC(N=[N+]=N)C(CO)O2)c(=O)[nH]c1=O,1,GRNUVTSRBRIYIO-UHFFFAOYSA-O | |
| NC1CCCC1c1ccccc1,1,VNGYTYNUZHDMPP-UHFFFAOYSA-N | |
| O=C(CN1CCC23CCCCC2C1Cc1ccc(O)cc13)c1ccccc1,1,RCYBMSQOSGJZLO-UHFFFAOYSA-N | |
| FC(F)(F)C(Cl)Br,1,BCQZXOMGPXTTIC-UHFFFAOYSA-N | |
| CCCCCCCC/C=C/CCCCCCC(N)(C=O)CO,0,BQTSPRJGHSTJPS-MDZDMXLPSA-N | |
| CSC(=O)C1(OC(C)=O)C(C)CC2C3CC=C4CC(=O)C=CC4(C)C3(F)C(O)CC21C,1,HJHPYFASLSRCNH-UHFFFAOYSA-N | |
| N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O,0,SGDBTWWWUNNDEQ-LBPRGKRZSA-N | |
| CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12,1,CNBGNNVCVSKAQZ-UHFFFAOYSA-N | |
| CCCC(=O)Nc1c(I)cc(I)c(CC(CC)C(=O)O)c1I,0,YMOXVLQZFAUUKI-UHFFFAOYSA-N | |
| CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@H](C)OC(=O)[C@H](c2ccccc2)NC(=O)[C@H]2CC(=O)CCN2C(=O)[C@@H](Cc2ccc(N(C)C)cc2)N(C)C(=O)[C@H]2CCCN2C1=O,0,YGXCETJZBDTKRY-JZWXQACNSA-N | |
| CCC=C(C)C1(CC)C(=O)NC(=O)NC1=O,1,RAFOHKSPUDGZPR-UHFFFAOYSA-N | |
| CC1=NC(O)C(=O)Nc2ccc(Cl)cc21,1,PZBFJEASHDIGQS-UHFFFAOYSA-N | |
| C1=NC(CC2=Cc3ccccc3CC2)CN1,1,WNPGIHKSPQIODH-UHFFFAOYSA-N | |
| CC(=O)OCC(C)C,1,GJRQTCIYDGXPES-UHFFFAOYSA-N | |
| O=C(CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1,1,XTKDAFGWCDAMPY-UHFFFAOYSA-N | |
| CC1C2C(=O)c3ccc(O)cc3C1(C)CCN2CC1CC1,1,HQBZLVPZOGIAIQ-UHFFFAOYSA-N | |
| Cc1cc(=O)c(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@@H]23)c2ccc(O)cc2)c[nH]1,0,PWAUCHMQEXVFJR-PNCHPQGNSA-N | |
| [N-]=[N+]=NCC(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1,1,SGRUZFCHLOFYHZ-ONGXEEELSA-N | |
| CC(=O)C1CCC2C3CC(O)C45CC4CCC5(C)C3CCC12C,1,UGIARLNNAPRCPF-UHFFFAOYSA-N | |
| COCC1CN=C(c2ccccc2Cl)c2cc(Br)ccc2N1C,1,WABYCCJHARSRBH-UHFFFAOYSA-N | |
| CN(C)c1ccc(-c2cccc(Nc3[nH]ccc3[N+](=O)[O-])c2)o1,0,PNVBERWMIFHQIB-UHFFFAOYSA-N | |
| CNC1C(OC2C(OC3C(O)C(O)C(NC(=N)N)C(O)C3NC(=N)N)OC(C)C2(O)C=O)OC(CO)C(O)C1O,0,UCSJYZPVAKXKNQ-UHFFFAOYSA-N | |
| CC1(C)CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](CN2CCCC2)C1,1,DCFFMOYFRXJGII-MRXNPFEDSA-N | |
| COc1ccc2c(c1)c(CC(=O)OCC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1,0,FSQKKOOTNAMONP-UHFFFAOYSA-N | |
| CN1C(=O)CN2CCc3ccccc3[C@H]2c2cc(Cl)ccc21,1,YAQKGZXXQNKEET-SFHVURJKSA-N | |
| CC(=O)OCC(=O)C1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=CC4(C)[C@H]3[C@@H](O)CC21C,1,PLBHSZGDDKCEHR-GDKBVWLASA-N | |
| COc1cc2c(cc1OC)CN(C(=O)C[C@@H]1NC(=O)N(c3ccc(C(C)C)cc3)C1=O)CC2,0,OXDNDLSEKTXRTP-FQEVSTJZSA-N | |
| CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CC/C4=N\CO)c(-c3ccncc3)[nH]2)cc1,0,MUBQOADFCLTYTL-QCWLDUFUSA-N | |
| COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@H]1CCCN1Cc1ccc(F)cc1,1,DZSKXGDTCMADPR-MRXNPFEDSA-N | |
| CCN(CC)c1nc2c(s1)c1c(O)c3c(O)c(C)c4c(c32)C(=O)[C@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N1)O4,0,QTLQVMGAXZJADU-GMVLFZKRSA-N | |
| Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1,0,UUOJIACWOAYWEZ-UHFFFAOYSA-N | |
| OC(CCCN1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccc(F)cc1,1,OYGDOCFZQVGFIP-UHFFFAOYSA-N | |
| Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@H](CO)C3)c2n1,0,MCGSCOLBFJQGHM-WPRPVWTQSA-N | |
| O=C1N[C@@H](CCCl)Oc2ccccc21,1,YEKMWXFHPZBZLR-SECBINFHSA-N | |
| N#Cc1cc(C2=Nc3ccc(-c4ccccc4F)cc3NC(=O)C2)ccn1,1,NMAYWFBVFJWJPL-UHFFFAOYSA-N | |
| COc1cc(C)c(/C=C/C(C)=C/C=C/C(C)=CC(=O)O)c(C)c1C,1,IHUNBGSDBOWDMA-JJXHGXANSA-N | |
| c1cncc([C@@H]2CCCN2)c1,1,MYKUKUCHPMASKF-VIFPVBQESA-N | |
| CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,0,UMPPNLOXQBBGTG-RTRGAHGLSA-N | |
| C[C@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCN=CN)C[C@H]12.O,0,GSOSVVULSKVSLQ-XMCAPODCSA-N | |
| CN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)C(NC(=O)Cc3csc(N)n3)[C@@H]2SC1,0,QYQDKDWGWDOFFU-CVRLYYSRSA-N | |
| CC1=CCC2C3Cc4ccc(O)c5c4C2(CN3C)C1O5,1,YAENVEMKHWQLSP-UHFFFAOYSA-N | |
| CN(C)C1C(=O)C(C(=O)NCN2CCN(CCO)CC2)C(=O)C2(O)C(=O)C3C(=O)c4c(O)cccc4C(C)(O)C3CC12,0,FEYLEYUKAADMSB-UHFFFAOYSA-N | |
| Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12,0,PHXJVRSECIGDHY-UHFFFAOYSA-N | |
| CCC[C@H]1C[C@@H](C(=O)N[C@@H]([C@@H]2O[C@@H](SC)[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H]2O)[C@H](C)Cl)N(C)C1,0,UFUVLHLTWXBHGZ-JGFFZYKBSA-N | |
| CCN(CC)C(C)=NN=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,0,MPNLXDYNHVIMAT-UHFFFAOYSA-N | |
| C[C@@H]1CC2C3CCC4=CC(=O)C=CC4(C)[C@@]3(Cl)C(Cl)CC2(C)[C@@]1(O)C(=O)CO,1,OKWSMPYQIYKVDC-IQSBSNNESA-N | |
| [Kr],1,DNNSSWSSYDEUBZ-UHFFFAOYSA-N | |
| CC(=O)OCC(=O)C1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=CC4(C)[C@H]3[C@@H](O)CC21C,1,LRJOMUJRLNCICJ-LZTNSQFMSA-N | |
| c1ccc(C2CN=C3NCCN32)cc1,1,VVLJQSJNPKNTAT-UHFFFAOYSA-N | |
| CC12COC(=O)CC1CCC1C2CCC2(C)C1CCC2(C)O,0,QSLJIVKCVHQPLV-UHFFFAOYSA-N | |
| CC(CC#N)N(C)CC(=O)N(C)c1ccc(Cl)cc1C(=O)c1ccccc1F,1,JHGHHEGZWJNCAF-UHFFFAOYSA-N | |
| O=C1OC(C(O)CO)C(=O)C1=O,1,SBJKKFFYIZUCET-UHFFFAOYSA-N | |
| CC[N+]1(C)[C@@H]2C[C@@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@H]12,0,NVOYVOBDTVTBDX-FJNJRZFCSA-N | |
| Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(F)c(F)c3)ccc2c1,1,RCVOOQFPOXBKPQ-UHFFFAOYSA-N | |
| COC[C@@]1(C(=O)O)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(C)(=O)=O,1,KCHFIVGJXBFSFS-MBNYWOFBSA-N | |
| CNCCC=C1c2ccccc2CCc2ccccc21,1,PHVGLTMQBUFIQQ-UHFFFAOYSA-N | |
| CCOC(=O)C1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=O,1,CUCHJCMWNFEYOM-UHFFFAOYSA-N | |
| CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1,1,DCCBAHNQGUQUGL-UHFFFAOYSA-N | |
| CON=C(C(=O)NC1C(=O)N2C(C(=O)OC(C)OC(=O)C(C)(C)OC)=C(COC(N)=O)CSC12)c1ccco1,0,MGYPWVCKENORQX-UHFFFAOYSA-N | |
| CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc(OCCCN4CCCCC4)cc3)C(=O)C2)cc1,0,RLJKFXRSANDEJS-UHFFFAOYSA-N | |
| C=CC1OC2CC3C4CC=C5CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(C(=O)CO)O1,1,VZRWXYQVLIMTIY-UHFFFAOYSA-N | |
| O=C1CCC(C(=O)NC2CC2c2ccccc2)N1,1,UGSLDMJXBQKDCT-UHFFFAOYSA-N | |
| COC(=O)C[C@H](c1cc(Cl)c2c(c1)OCO2)c1c(O)c(C(=O)OC)c[nH]c1=O,0,IQIRVGWHKKOMQN-SECBINFHSA-N | |
| NCC(CS(=O)(=O)O)c1ccc(Cl)cc1,1,JYLNVJYYQQXNEK-UHFFFAOYSA-N | |
| CC(C)[C@H](CCCCCC(=O)O)NCc1ccc(F)cc1,1,YZYKBQUWMPUVEN-INIZCTEOSA-N | |
| CO[C@H]1OC2OC3(CN4CCCCC4)C(O)CC(C13)[C@@H]2C,1,KZSHXABWNBVUTK-YZQVSVNPSA-N | |
| O=C(O)C1C(=CCO)OC2CC(=O)N21,1,HZZVJAQRINQKSD-UHFFFAOYSA-N | |
| O=C(O)CCCCCCNC1c2ccccc2CCc2ccccc21,1,ONNOFKFOZAJDHT-UHFFFAOYSA-N | |
| CO[C@@]12C=C[C@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,1,VSKIOMHXEUHYSI-CWCHUYMUSA-N | |
| CC[C@@]12CCN(CC3CC3)[C@@H](Cc3ccc(O)cc31)C2(C)C,1,AFZOCGNTFCGOEE-AZUAARDMSA-N | |
| CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1ccco1,0,YBHZVPYSEUQIII-DYJQDLSISA-N | |
| CC1=C(C(=O)O)N2C(=O)C(NC(=O)[C@@H](N)c3ccc(O)cc3)[C@@H]2SC1,0,BOEGTKLJZSQCCD-VIBFFUDUSA-N | |
| CN(C)CCON=C1c2ccccc2CCc2ccccc21,1,GPTURHKXTUDRPC-UHFFFAOYSA-N | |
| CN(C)C(=O)OC1N=C(c2ccccc2)c2cc(Cl)ccc2N(C)C1=O,1,PXBVEXGRHZFEOF-UHFFFAOYSA-N | |
| NNCCc1ccccc1,1,RMUCZJUITONUFY-UHFFFAOYSA-N | |
| CN(C)[C@@H]1C(=O)/C(=C(\N)O)C(=O)[C@@]2(O)C(=O)C3=C(O)c4c(O)ccc(Cl)c4[C@@H](O)[C@H]3C[C@@H]12,0,HXPZLYXFFSKHJA-OSZITGHESA-N | |
| CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,1,MKXKFYHWDHIYRV-UHFFFAOYSA-N | |
| CCCCC(=O)OC1(C(=O)CO)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C,1,BOFKYYWJAOZDPB-UHFFFAOYSA-N | |
| CC(=O)C1=C(O)[C@@]2(O)C(=O)c3c(c(C)c4ccc(C)c(O)c4c3O)C[C@H]2[C@@H](N)C1=O,0,LUYXWZOOMKBUMB-ONJZCGHCSA-N | |
| CC(CN1CCN(CCOCCO)CC1)CN1c2ccccc2Sc2ccccc21,1,MSYUMPGNGDNTIQ-UHFFFAOYSA-N | |
| Cc1c(Cl)cccc1Nc1ncccc1C(=O)O,0,CLOMYZFHNHFSIQ-UHFFFAOYSA-N | |
| COc1ccc2c(c1)C(=CCCN(C)C)c1ccccc1O2,1,CVEKPEDQESUNSP-UHFFFAOYSA-N | |
| CC(C)=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,1,OHKCLOQPSLQCQR-MBPVOVBZSA-N | |
| C[C@H]1C[C@H]2[C@H]3C[C@H](F)C4=CC(=O)C=C[C@@]4(C)[C@H]3[C@H](O)C[C@@]2(C)[C@H]1C(=O)CO,1,GAKMQHDJQHZUTJ-CIWYODKLSA-N | |
| CO/N=C(\C(=O)N[C@H]1C(=O)N2C(C(=O)O)=CCS[C@@H]12)c1csc(N)n1,0,NNULBSISHYWZJU-CHIKPUOMSA-N | |
| CCOC(=O)NN[C@H](C)c1ccccc1,1,MSIUIUDKTKNUET-SECBINFHSA-N | |
| CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21,0,CYQFCXCEBYINGO-IAGOWNOFSA-N | |
| CO[C@H]1[C@@H](OC(N)=O)[C@H](O)[C@@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C,0,YJQPYGGHQPGBLI-LSGWAJPXSA-N | |
| CC(C)C(=O)OCc1cccc(OC(=O)[C@@H]2N3C(=O)C(NC(=O)Cc4ccccc4)[C@@H]3SC2(C)C)c1,0,MGKUHWMKIYHWOJ-OVOHSDETSA-N | |
| CNCC[C@H](Oc1cccc2ccccc12)c1cccs1,1,ZEUITGRIYCTCEM-KRWDZBQOSA-N | |
| CC(=O)OCC(=O)[C@H]1[C@@H](C)C[C@@H]2[C@H]3C[C@H](F)C4=CC(=O)C=C[C@@]4(C)[C@]3(Cl)[C@@H](O)C[C@@]21C,1,ARPLCFGLEYFDCN-CUARXWTRSA-N | |
| Oc1ccc2c(c1)C13CCCCC1(O)C(C2)N(CC1CCC1)CC3,1,IFKLAQQSCNILHL-UHFFFAOYSA-N | |
| CC(NN)c1ccccc1,1,HHRZAEJMHSGZNP-UHFFFAOYSA-N | |
| OCCCN1CCN(CCC[C@H]2c3ccccc3Sc3ccc(Cl)cc32)CC1,1,VQLAZPRVCPICCQ-IBGZPJMESA-N | |
| CCC1(c2ccccc2)C(=O)NCNC1=O,1,DQMZLTXERSFNPB-UHFFFAOYSA-N | |
| CSC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@@]3(F)[C@H](O)C[C@]21C,1,LNGNTCFORRWFSF-AYRDGFMESA-N | |
| C/C(=C(\CCOC(=O)c1ccccc1)SC(=O)c1ccccc1)N(C=O)Cc1cnc(C)nc1N,1,AZJUFRDUYTYIHV-NKFKGCMQSA-N | |
| Cc1c[nH+][o+]c(C([NH])CC(C)C(C)(C)N(C(C)(C)C)C(C)(N)N)c1[O-],1,TVNMSMWPRFYQAY-UHFFFAOYSA-N | |
| Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)C,0,UHIXTNIBXPVMQB-HKWSIXNMSA-N | |
| O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C(F)(F)F,0,VSQQQLOSPVPRAZ-UHFFFAOYSA-N | |
| CC(NC(=O)N(C)Cc1csc(C(C)C)n1)C(=O)CC(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OCc1cncs1,0,PYELINRBJHJZDQ-UHFFFAOYSA-N | |
| CCCSc1nc(NC2CC2c2ccc(F)c(F)c2)c2nnn(C3CC(OCCO)C(O)C3O)c2n1,0,OEKWJQXRCDYSHL-UHFFFAOYSA-N | |
| CC1(C)O[C@H]2C[C@H]3[C@H]4CCC5=CC(=O)CC[C@@]5(C)[C@@]4(F)[C@H](O)C[C@@]3(C)[C@]2(C(=O)CCl)O1,1,MUQNGPZZQDCDFT-LVTPUENUSA-N | |
| CCCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,1,WYQPLTPSGFELIB-JTQPXKBDSA-N | |
| CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)C(/N=C/N3CCCCCC3)[C@@H]2SC1(C)C,0,NPGNOVNWUSPMDP-UMSKZESQSA-N | |
| COCCc1ccc(OC[C@H](O)CNC(C)C)cc1,1,IUBSYMUCCVWXPE-CQSZACIVSA-N | |
| CC(C)(S)C(N)C(=O)O,0,VVNCNSJFMMFHPL-UHFFFAOYSA-N | |
| CC(=O)C1(O)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,1,IKGBPSZWCRRUQS-UHFFFAOYSA-N | |
| C=C1C[C@H](C)[C@@H]2C3Cc4ccc(O)cc4C2(CCN3CC2CCC2)C1,1,AZJPPZHRNFQRRE-JRZBMDTDSA-N | |
| CCCCCC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C,1,UFMQUKXYXREAJS-UBSPVUBISA-N | |
| O=C1NC(=O)[C@]2(c3ccc(Cl)cc3)C[C@@H]12,1,YYGANUVABKDFDW-KWQFWETISA-N | |
| Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)CS/C=C/C#N)[C@H]2SC1,0,JXHWKLWIYBATLL-PUOIHZGYSA-N | |
| CC[C@](O)(COC(N)=O)c1ccccc1,1,WAFIYOULDIWAKR-NSHDSACASA-N | |
| NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)CCC2N)C(O)C1OC1OC(CO)C(O)C(N)C1O,0,MKKYBZZTJQGVCD-UHFFFAOYSA-N | |
| CN(C)Cc1ccnc(-c2cccc(Nc3[nH]ccc3[N+](=O)[O-])c2)c1,1,PYCFDUKKBNGLNC-UHFFFAOYSA-N | |
| Cc1cccc(CSCCNC(=O)C(=Cc2ccco2)c2ccccc2)c1,0,JETLHGVIDGMTBE-UHFFFAOYSA-N | |
| COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,0,XGALLCVXEZPNRQ-UHFFFAOYSA-N | |
| CCc1ccc2c(c1)N(C[C@@H](C)CN(C)C)c1ccccc1S2,1,USKHCLAXJXCWMO-HNNXBMFYSA-N | |
| CON=C(C(=O)NC1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(C)CSC12)c1csc(N)n1,0,DASYMCLQENWCJG-UHFFFAOYSA-N | |
| CCCN(CC1CC1)c1nc(C)nc2c1CCN2c1ccc(Cl)cc1Cl,0,IAUVMKVMXOOFMS-UHFFFAOYSA-N | |
| C/C=C(\CC)C(=O)NC(N)=O,1,QCUPYFTWJOZAOB-HWKANZROSA-N | |
| CC(O)C1C(=O)N2C(C(=O)O)=C(SC3CN4C=NCN4C3)C(C)C12,0,AQVAGKVTCAPOOA-UHFFFAOYSA-N | |
| CCC1CC(=O)C2Oc3c(OC)ccc4c3C23CCN(CC2CC2)C(C4)C13,1,JMPUQJQXECRLKY-UHFFFAOYSA-N | |
| Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccccc3)[C@@]2(N)C(=O)O)cc1,0,HSHPLOPCHMUZAE-UXLLHSPISA-N | |
| CN1[C@@H]2CC[C@H]1CC(OC(=O)c1c[nH]c3ccccc13)C2,1,ZNRGQMMCGHDTEI-FUNVUKJBSA-N | |
| CC(C)(C)CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@@H]3[C@H](O)C[C@@]21C,1,HUMXXHTVHHLNRO-BBKXOQENSA-N | |
| O=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1,0,ZPAKPRAICRBAOD-UHFFFAOYSA-N | |
| CC(O)(P(=O)(O)O)P(=O)(O)O,0,DBVJJBKOTRCVKF-UHFFFAOYSA-N | |
| CC(=O)c1ccc2c(c1)N(CC(C)N(C)C)c1ccccc1S2,1,XLOQNFNTQIRSOX-UHFFFAOYSA-N | |
| CNCCCC1c2ccccc2C=Cc2ccccc21,1,BWPIARFWQZKAIA-UHFFFAOYSA-N | |
| O=C(CCCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1,1,GPMXUUPHFNMNDH-UHFFFAOYSA-N | |
| CN(C)[C@@H]1C(=O)/C(=C(/O)NCNC(C(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)O)c2ccccc2)C(=O)[C@@]2(O)C(=O)C3=C(O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12,0,QRLXBXSKFXJLSE-KIKULAIASA-N | |
| Cc1ccc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCC2CC2)cc1,0,BOPSUAHGQHFKGG-UHFFFAOYSA-N | |
| CCOc1ccccc1O[C@@H](c1ccccc1)[C@H]1CNCCO1,1,CBQGYUDMJHNJBX-MOPGFXCFSA-N | |
| CC1(C)O[C@@H]2CC3[C@@H]4C[C@H](F)C5=CC(=O)C=CC5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1.CC1(C)O[C@@H]2CC3[C@@H]4C[C@H](F)C5=CC(=O)C=CC5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1.O,1,MIXMJCQRHVAJIO-RRPCVRMZSA-N | |
| O=C1CC2(CCCC2)CC(=O)N1CCNC[C@@H]1COc2ccccc2O1,1,BVMYCHKQPGEOSI-OAHLLOKOSA-N | |
| CCCCCCC,1,IMNFDUFMRHMDMM-UHFFFAOYSA-N | |
| O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O,1,HUPFGZXOMWLGNK-UHFFFAOYSA-N | |
| CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CCC2(CCCO2)C[C@@H]1N1CCCC1,1,NYKCGQQJNVPOLU-ZDOMSUIMSA-N | |
| NC(=O)N1c2ccccc2C2OC2c2ccccc21,1,ZRWWEEVEIOGMMT-UHFFFAOYSA-N | |
| COc1ccc(C2C(S(=O)(=O)c3ccccc3)C2(N)CO)cc1,0,ALWJDKVZIBLYRE-UHFFFAOYSA-N | |
| NNO,1,GASFVSRUEBGMDI-UHFFFAOYSA-N | |
| CC1=C(C(=O)OCC(=O)OC(C)(C)C)N2C(=O)[C@@H](NC(=O)[C@@H](N)c3ccccc3)[C@H]2SC1,0,MMZOYTJAKQCFQJ-RZQQEMMASA-N | |
| COC[C@@H]1CN(c2ccc(OCC[C@H](O)C(F)(F)F)cc2)C(=O)O1,1,IALVDLPLCLFBCF-STQMWFEESA-N | |
| CCC1C2CC3C4N(C)c5ccccc5C45CC(C2C5O)N3C1O,0,CJDRUOGAGYHKKD-UHFFFAOYSA-N | |
| CN1Cc2c(N)cccc2C(c2ccccc2)C1,1,XXPANQJNYNUNES-UHFFFAOYSA-N | |
| CCN[C@]1(c2cccs2)CCCCC1=O,1,QAXBVGVYDCAVLV-GFCCVEGCSA-N | |
| CC(C)COC[C@H](CN(Cc1ccccc1)c1ccccc1)N1CCCC1,0,UIEATEWHFDRYRU-DEOSSOPVSA-N | |
| NC(=O)OCC(COC(N)=O)c1ccccc1,1,WKGXYQFOCVYPAC-UHFFFAOYSA-N | |
| CC(C)(C)c1ccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1,1,MOYGZHXDRJNJEP-UHFFFAOYSA-N | |
| CCC(=O)O[C@]1(C(=O)COC)[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@]3(F)[C@@H](O)C[C@@]21C,1,ZMYGOSBRLPSJNB-UVXUCSQVSA-N | |
| COc1cc2c3c(c1O)C1(C=CC(=O)C=C1)CC3N(C)CC2,1,PNJUPRNTSWJWAX-UHFFFAOYSA-N | |
| CC(C)C(Br)C(=O)NC(N)=O,1,CMCCHHWTTBEZNM-UHFFFAOYSA-N | |
| CCc1ccc(C(C)CCc2ccc([N+](C)(C)C)cc2)cc1,0,HGMSJMJPXGGEBP-UHFFFAOYSA-N | |
| CN1CC[C@]23c4c5ccc(OC(=O)c6cccnc6)c4O[C@H]2[C@@H](OC(=O)c2cccnc2)C=C[C@H]3[C@H]1C5,1,HNDXBGYRMHRUFN-CIVUWBIHSA-N | |
| CC1(C)S[C@H]2C(NC(=O)CCC[C@H](N)C(=O)O)C(=O)N2[C@H]1C(=O)O,0,MIFYHUACUWQUKT-VXRDVWAKSA-N | |
| CC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C,1,KQZSMOGWYFPKCH-UHFFFAOYSA-N | |
| CNC(=O)O[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H]1C=C[C@@H]2C1,1,ZMXUEEVRCMPQPF-UTABRTIASA-N | |
| CN1CCC2(C)c3cc(OC(=O)Nc4ccccc4)ccc3N(C)C12,1,PBHFNBQPZCRWQP-UHFFFAOYSA-N | |
| CC(=O)OCC(=O)C1(OC(C)=O)C(C)CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,1,BOBLHFUVNSFZPJ-UHFFFAOYSA-N | |
| COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],1,FHHWJIVTZGUNIK-LSFURLLWSA-N | |
| CN(CC=Cc1ccccc1)Cc1cccc2ccccc12,0,OZGNYLLQHRPOBR-UHFFFAOYSA-N | |
| CN(C)c1cc(C2=NC(N)NN2)ccn1,0,BLGDDVILXURLFU-UHFFFAOYSA-N | |
| CC(C)Oc1cccc(CC(=O)N2CCC[C@](CC[N+]34CCC(c5ccccc5)(CC3)CC4)(c3ccc(Cl)c(Cl)c3)C2)c1.[Cl-],0,NQHFSECYQAQZBN-LSYPWIJNSA-M | |
| CCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](C)[C@@H](O[C@H]3O[C@H](C)C[C@@H](N(C)C)[C@@H]3O)[C@H](C)C[C@@]3(CO3)C(=O)[C@H](C)[C@@H](OC(=O)CC)[C@H](C)[C@H](C)OC(=O)[C@@H]2C)C[C@H]1OC,0,HYQJLIGADHPYIR-RDFIILGQSA-N | |
| C[C@@H](N)C(=O)c1ccccc1,1,PUAQLLVFLMYYJJ-SSDOTTSWSA-N | |
| N[C@@H](CO)C(=O)NNCc1ccc(O)c(O)c1O,0,BNQDCRGUHNALGH-LURJTMIESA-N | |
| Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2.O=C(O)/C=C\C(=O)O,1,XYGVIBXOJOOCFR-BTJKTKAUSA-N | |
| OCC1OC(n2cnc3c2N=CNCC3O)CC1O,1,FPVKHBSQESCIEP-UHFFFAOYSA-N | |
| O=C1N[C@@H]2CCCCN2C12CCN(CCCN1c3ccccc3CCc3ccc(Cl)cc31)CC2,1,PXUIZULXJVRBPC-SANMLTNESA-N | |
| CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]21C,1,ZOCUOMKMBMEYQV-UDZABEMNSA-N | |
| COc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCC(O)CC2)n1,0,ZQUSFAUAYSEREK-UHFFFAOYSA-N | |
| COc1ccc2c3c1O[C@@H]1C(=O)CC[C@]4(O)[C@H](C2)N(C)CC[C@@]314,1,BRUQQQPBMZOVGD-LIRZEXBASA-N | |
| Cc1ccccc1OCC(C)NC(=O)C(C)Sc1ccccc1,0,NMLQBVWTBLVUCH-UHFFFAOYSA-N | |
| C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=O)CO)[C@]3(C)C[C@@H](Cl)[C@@]12Cl,1,CZJXBZPJABCCRQ-KBONVHAXSA-N | |
| CC#Cc1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O,0,QLOCVMVCRJOTTM-UHFFFAOYSA-N | |
| N#Cc1ccc(C(=O)N2CCN(c3ccc(OC4CCN(C5CCC5)CC4)cc3)C(=O)C2)cc1,0,IFFOAHBQMKKYRJ-UHFFFAOYSA-N | |
| C[C@H]1C[C@@H]2[C@H]3C[C@H](F)C4=CC(=O)C=C[C@@]4(C)[C@]3(Cl)[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C,1,SXYZQZLHAIHKKY-PUSPCZPXSA-N | |
| CC(C)(C)c1nc(N2CCN(CCCSc3nc(=O)cc[nH]3)CC2)cc(C(F)(F)F)n1,1,KXVAICSRMHXLJN-UHFFFAOYSA-N | |
| O=C(OC1CC2CCC(C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1,1,OYYDSUSKLWTMMQ-UHFFFAOYSA-N | |
| N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O,1,LDCYZAJDBXYCGN-VIFPVBQESA-N | |
| CN1C[C@@H](CN2CC(=O)NC(=O)C2)C=C2c3cccc4[nH]cc(c34)C[C@H]21,1,RJCXNCSJGRUWRW-YVEFUNNKSA-N | |
| CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@H]1CCC(C)=C[C@H]21,1,CYQFCXCEBYINGO-IRXDYDNUSA-N | |
| CCC1(CC)O[C@H]2C[C@H]3[C@H]4CCC5=CC(=O)C=C[C@@]5(C)[C@@]4(F)[C@H](O)C[C@@]3(C)[C@]2(C(=O)CO)O1,1,NSZFBGIRFCHKOE-YBEUNEJZSA-N | |
| CCC1(CC)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,1,NSZFBGIRFCHKOE-LFZVSNMSSA-N | |
| CN1C(=O)CCS(=O)(=O)[C@H]1c1ccc(Cl)cc1,1,WEQAYVWKMWHEJO-NSHDSACASA-N | |
| CC=CC=CC1OC(O)(C(CC)C(=O)NCC=CC=C(C)C(OC)C(C)C2OC(C=CC=CC=C(C)C(=O)c3c(O)ccn(C)c3=O)C(O)C2O)C(O)C(OC2OC(C)C(OC3OC(C)C(OC)C(O)C3OC)C(OC)C2O)C1(C)C,0,ASOJLQIBBYOFDE-UHFFFAOYSA-N | |
| CCOC[C@@]1(CN)[C@H](c2ccc(OC)cc2)[C@@H]1S(C)(=O)=O,1,QWCVETLFDNNJIP-ILXRZTDVSA-N | |
| CC1(C)O[C@H]2C[C@@H]3[C@H]4C[C@H](F)C5=CC(=O)C=C[C@@]5(C)[C@]4(Cl)[C@@H](Cl)C[C@@]3(C)[C@@]2(C(=O)CF)O1,1,OGZHZYVCWDUIJV-IYRGUNALSA-N | |
| CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C,0,HJYYPODYNSCCOU-ODRIEIDWSA-N | |
| C=C(C)C(=O)/C(=C\C(=O)O)OC,1,VOUGEZYPVGAPBB-GQCTYLIASA-N | |
| CN(N=O)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O,0,ZSJLQEPLLKMAKR-GKHCUFPYSA-N | |
| C[C@H]1C[C@@H]2[C@@H]([C@@H](O)C[C@@]3(C)[C@@H]2CC[C@@]3(O)C(=O)CO)[C@@]2(C)C=CC(=O)C=C12,1,VHRSUDSXCMQTMA-VSRMIBOTSA-N | |
| O=C([O-])c1ccccc1Oc1ccccc1,1,PKRSYEPBQPFNRB-UHFFFAOYSA-M | |
| CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1CCCC1C(=O)O,0,GBXSMTUPTTWBMN-UHFFFAOYSA-N | |
| CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1,1,SOYKEARSMXGVTM-UHFFFAOYSA-N | |
| COc1ccc(C2C(CO)C2S(=O)(=O)c2ccc(C)cc2)cc1,1,LLTREVJPDMTTEM-UHFFFAOYSA-N | |
| CC1(C)OC2CC3C4C=C5CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(C(=O)COC(=O)c2cc3ccccc3o2)O1,1,YHWJRUKFERMLSQ-UHFFFAOYSA-N | |
| Nc1nccn2c(C3CCC3)nc(-c3ccc4ncccc4c3)c12,1,MUWPKMUPUZULEM-UHFFFAOYSA-N | |
| CCN(CC)C(=O)[C@H]1[C@H](C(=O)N(CC)CC)[C@H]2C=C[C@@H]1C2,1,BXAMVNHBXFXFSK-LXTVHRRPSA-N | |
| COc1cc2c(cc1OC)S(=O)(=O)O[C@@H](C(=O)N[C@H](C)CC(C)(C)N(C)C)C2,1,CXGGLKVQGDLNGH-MLGOLLRUSA-N | |
| CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,1,YRFXGQHBPBMFHW-SBTZIJSASA-N | |
| CC12CC(=O)[C@H]3C(CC[C@H]4C[C@H](O)CCC43C)[C@@H]1CCC2C(=O)CO,1,XWYBFXIUISNTQG-LBNMLWDKSA-N | |
| CN(C)C1C(=O)/C(=C(/O)NCN2CCN(CCO)CC2)C(=O)C2(O)C(=O)C3=C(O)c4c(O)cccc4C(C)(O)C3CC12,0,DJEOYVGHDOGJQZ-MEFGMAGPSA-N | |
| CNCC[C@H](Oc1ccccc1OC)c1ccccc1,1,ITJNARMNRKSWTA-HNNXBMFYSA-N | |
| CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C,0,ZDZOTLJHXYCWBA-UHFFFAOYSA-N | |
| O=C(c1cccc(OC(F)F)c1)N1CCn2nc(C(O)C3CC3)cc2C1,1,MXAKZQLZESPXOD-UHFFFAOYSA-N | |
| CN(c1nc2ccccc2s1)C1CCN(CC(O)COc2ccc(F)cc2)CC1,1,IGMKTIJBFUMVIN-UHFFFAOYSA-N | |
| O=[P@@]1(N(CCCl)CCCl)OCCCN1CCCl,1,UMKFEPPTGMDVMI-QGZVFWFLSA-N | |
| CN1CC[C@@]2(C)c3cc(OC(=O)N4CCc5ccccc5C4)ccc3N(C)[C@@H]12,1,IIFRKALDATVOJE-GGAORHGYSA-N | |
| CN1CCCC[C@H]1CCN1c2ccccc2Sc2ccc([S@@+](C)[O-])cc21,1,SLVMESMUVMCQIY-YHAMSUFESA-N | |
| CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1,0,GFIJNRVAKGFPGQ-LIJARHBVSA-N | |
| CN(C)C1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(ccc(N)c4O)CC3CC12,0,LRJNBPUJLBQLEI-UHFFFAOYSA-N | |
| CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C(=O)Oc3ccccc3)c3ccccc3)C(=O)N2[C@H]1C(=O)O,0,NZDASSHFKWDBBU-PFRQMTDMSA-N | |
| NCC[C@H](O)CN[C@H]1C[C@H](N)[C@@H](O[C@H]2O[C@@H](CN)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@H](N)[C@@H]1O,0,OCFOTEIMZBKQFS-OMACVCJVSA-N | |
| CCOc1ccc(Cc2nc3cc(N(C)S(=O)(=O)c4cccs4)ccc3n2CC2CCCCC2)nc1,0,YIEVWZCZMDYKQH-UHFFFAOYSA-N | |
| COC(=O)c1c(C)cc([N+](=O)[O-])c(C(=O)OCCN(C)Cc2ccccc2)c1C1C=C(C)NC(C)=C1,1,TYNKOONEFIKERV-UHFFFAOYSA-N | |
| COC(C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O)c1ccc(Cl)c(Cl)c1,0,JKXQBIZCQJLVOS-GSNLGQFWSA-N | |
| CN(C)[C@H]1C(O)=C(C(=O)NCN2CCN(C(=N)NC(=N)N)CC2)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12,0,DIRJDIBCAHCCFL-WCHSYKSKSA-N | |
| COc1ccc2c(C(=S)N(C)CC(=O)O)ccc(C(F)(F)F)c2c1,1,VSPVSOQXQQUPKS-UHFFFAOYSA-N | |
| Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N[C@@H]1C,1,AQCHWTWZEMGIFD-JTQLQIEISA-N | |
| CNCCC[C@@]1(c2ccccc2)SC(C)(C)c2ccccc21,1,FKHYYOUFMJBLAF-FQEVSTJZSA-N | |
| C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=CC4(C)C3(F)[C@@H](O)CC2(C)C1(O)C(=O)CCl,1,FCSHDIVRCWTZOX-UYWGRENSSA-N | |
| C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@]2(C)[C@@]1(O)C(=O)CCl,1,XXIFVOHLGBURIG-OZCCCYNHSA-N | |
| CCCC(=O)OC1(C(=O)CCl)C(C)CC2C3CC=C4CC(=O)C=CC4(C)C3(F)C(=O)CC21C,1,HUYVOKGTJJWNAG-UHFFFAOYSA-N | |
| CC(=O)OCC(=O)C1(O)CCC2C3CC=C4CC(=O)C=CC4(C)C3C(O)CC21C,1,DKHHQUXEXCKMMT-UHFFFAOYSA-N | |
| Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1,0,WYWIFABBXFUGLM-UHFFFAOYSA-N | |
| Cc1cn(C2OC(CO)C(O)C2F)c(=O)[nH]c1=O,0,GBBJCSTXCAQSSJ-UHFFFAOYSA-N | |
| CN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)C(NC(=O)Cc3csc(N)n3)C2SC1,0,QYQDKDWGWDOFFU-UHFFFAOYSA-N | |
| C[C@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C(Cl)=CC4(C)C3(F)[C@@H](O)CC2(C)C1(O)C(=O)CO,1,GGXMRPUKBWXVHE-WTPIYNOOSA-N | |
| CC1=NNC2=CN=C(c3ccccc3Cl)c3cc(Cl)ccc3N21,1,RFGJRUWGCLEDIE-UHFFFAOYSA-N | |
| OC1(c2ccccc2Cl)C2=NCCCN2c2ccccc21,1,KKYOQKYJVSKBIB-UHFFFAOYSA-N | |
| CC(C)CC(NC(=O)C(COC(C)(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]cn1)NC(=O)C1CCC(=O)N1)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NNC(N)=O,0,BLCLNMBMMGCOAS-UHFFFAOYSA-N | |
| Cc1ccc(=O)n(-c2ccccc2)c1,0,ISWRGOKTTBVCFA-UHFFFAOYSA-N | |
| CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12,1,WHTVZRBIWZFKQO-UHFFFAOYSA-N | |
| COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(C)CC3,1,MKXZASYAUGDDCJ-CGTJXYLNSA-N | |
| Cc1ccc(CC2CNC(NCCCCc3ncc(Br)cc3C)NC2=O)cn1,0,HODUKEZHHKVLBN-UHFFFAOYSA-N | |
| Cc1cc(NC(=O)C2C(=O)c3ccccc3S(=O)(=O)N2C)no1,0,SPTMROWPYQRZSX-UHFFFAOYSA-N | |
| Oc1ccc2c(c1)C13CCCC[C@@H]1C(C2)N(CCc1ccccc1)CC3,1,CFBQYWXPZVQQTN-DNFKCEGXSA-N | |
| CC1(C)S[C@H]2C(NC(=O)CSc3ccccc3)C(=O)N2[C@H]1C(=O)O,0,VEAPUAUNTSIGKZ-WGIUUAEBSA-N | |
| COc1cc2nc(N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)nc(N)c2cc1OC,1,RUZYUOTYCVRMRZ-FQEVSTJZSA-N | |
| COc1ccc(C2C(S(=O)(=O)c3ccc(C)cc3)C2(C#N)C(=O)O)cc1,0,WBWHPOVJCKOFNT-UHFFFAOYSA-N | |
| C=C1c2cccc(O)c2C(O)=C2C(=O)[C@]3(O)C(O)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12,0,XIYOPDCBBDCGOE-IWVLMIASSA-N | |
| Cc1ccc(CS(=O)(=O)N[C@H](c2ccccn2)C2CC(O)C2)cc1,1,FMNKYPFZTDILJJ-HTWSVDAQSA-N | |
| [Ar],1,XKRFYHLGVUSROY-UHFFFAOYSA-N | |
| O=c1[nH]c(=O)n(C2OC(CO)C(O)C2O)cc1C=CBr,0,GCQYYIHYQMVWLT-UHFFFAOYSA-N | |
| NCCNCCNCCNCCN,0,FAGUFWYHJQFNRV-UHFFFAOYSA-N | |
| C[C@]12C=CC(=O)C=C1C(Cl)=CC1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,1,YTJIBEDMAQUYSZ-YNAZYXNTSA-N | |
| CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+](C)(C)C)OC,1,MHFRGQHAERHWKZ-UHFFFAOYSA-O | |
| CC(=O)N1CCN(c2ccc(OC[C@H]3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,0,XMAYWYJOQHXEEK-ZZHFZYNASA-N | |
| COc1cc(-n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)ccc1OCCN1CCCC1,1,MWULMTACIBZPGN-UHFFFAOYSA-N | |
| O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,0,ZKLPARSLTMPFCP-UHFFFAOYSA-N | |
| CN(C)CC(CN1c2ccccc2Sc2ccccc21)N(C)C,1,YZQNFFLGIYEXMM-UHFFFAOYSA-N | |
| CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\OC)[C@H](C)[C@@H](O)[C@]1(C)O,0,HPZGUSZNXKOMCQ-SQYJNGITSA-N | |
| CCCCNC[C@H]1COc2cccc(OCC)c2O1,1,WKRAEDUMAWVCOC-LBPRGKRZSA-N | |
| CCN(CC)CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C,1,ILZSJEITWDWIRX-UHFFFAOYSA-N | |
| CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@H]12)c1csc(N)n1,0,HJJDBAOLQAWBMH-YCRCPZNHSA-N | |
| Nc1nc(C(=CCC(=O)O)C(=O)NC2C(=O)N3C(C(=O)O)=CCSC23)cs1,0,UNJFKXSSGBWRBZ-UHFFFAOYSA-N | |
| CN(C)c1ccc(O)c(CNc2cccc3ccc(CO)nc23)c1,1,BIFKRSZXAVFAJO-UHFFFAOYSA-N | |
| CCOCC1(C(N)=S)C(c2ccc(CC)cc2)C1S(=O)(=O)c1ccc(Cl)cc1,1,AXQUOHFDAOCSSP-UHFFFAOYSA-N | |
| CC1(C)S[C@H]2C(NC(=O)C34C[C@@H]5C[C@H](CC(N)(C5)C3)C4)C(=O)N2[C@H]1C(=O)O,0,AZGNYRUNQKZSJQ-SQAZXGCRSA-N | |
| COc1ccc2c(c1OC)C(=O)O[C@H]2[C@@H]1c2c(cc3c(c2OC)OCO3)CCN1C,1,AKNNEGZIBPJZJG-ZWKOTPCHSA-N | |
| O=c1[nH]c(C2=CC(N3CCC(c4ccccc4)CC3)CC2)nc2c(Cl)cccc12,1,WGBZFQJXRNSUNB-UHFFFAOYSA-N | |
| CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1,0,HYWYRSMBCFDLJT-UHFFFAOYSA-N | |
| CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C,1,HVYWMOMLDIMFJA-ROJYRTSDSA-N | |
| Cc1nn(C)c2c1C(c1ccccc1F)=NCC(=O)N2C,1,GDSCFOSHSOWNDL-UHFFFAOYSA-N | |
| CC[C@H]1OC(=O)[C@@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)C(O)[C@@]1(C)O,0,MQTOSJVFKKJCRP-KGEVOQJASA-N | |
| CO[C@H]1[C@@H](OC(N)=O)[C@H](O)[C@@H](Oc2ccc3c(=O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(O)oc3c2C)OC1(C)C,0,DYYIUCVAQGRACE-LSGWAJPXSA-N | |
| COc1cc(F)c(-c2c(C)nn3c(C(F)(F)F)cc(C)nc23)c(F)c1,1,BMRIPGPHKZAYRU-UHFFFAOYSA-N | |
| CC(C)[C@H](CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1,1,IQEQNVRDAVMDJB-KRWDZBQOSA-N | |
| Oc1ccc2c3c1O[C@@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)NCC[C@@]314,1,ONBWJWYUHXVEJS-JXNBKPOHSA-N | |
| CN(C)CC/C=C1/c2ccccc2CNc2cc(Cl)ccc21,1,YXZWPKTWLHVLEY-IUXPMGMMSA-N | |
| CN1c2ccccc2N(CCCCCCC(=O)O)c2ccc(Cl)cc2S1(=O)=O,1,YQNFKQATHZZVKA-UHFFFAOYSA-N | |
| CCS[C@]1(SC)CC[C@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@@]3(F)[C@H](O)C[C@]21C,1,DXEXNWDGDYUITL-ONRBHHSBSA-N | |
| CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2C3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C,1,ITRJWOMZKQRYTA-FODGNBJYSA-N | |
| CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,1,YNDXUCZADRHECN-JNQJZLCISA-N | |
| CN(C)CCc1c[nH]c2ccc(O)cc12,1,VTTONGPRPXSUTJ-UHFFFAOYSA-N | |
| O=C(NC(Cc1ccccn1)C1CC(O)C1)c1[nH]nc2ccccc12,1,LXLLOWDNIDCOFB-UHFFFAOYSA-N | |
| Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1,1,ASWVTGNCAZCNNR-UHFFFAOYSA-N | |
| CCC(C)C(C)(COC(N)=O)COC(=O)NC(C)C,1,CBDPCXYQNVDTMW-UHFFFAOYSA-N | |
| COC12C=CC3(CC1C(C)(C)O)C1Cc4ccc(O)c5c4C3(CCN1CC1CC1)C2O5,1,VSKIOMHXEUHYSI-UHFFFAOYSA-N | |
| CC[C@H](NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1,1,BIAVGWDGIJKWRM-FQEVSTJZSA-N | |
| COC(=O)Nc1nc2cc(C(=O)N3CCN(c4ccccn4)CC3)ccc2[nH]1,0,SINZZLKFRXIFDJ-UHFFFAOYSA-N | |
| CC(CC(=O)N1CCc2[nH]ncc2C1)N1CCOCC1,0,NRZRBQBMQJRHDR-UHFFFAOYSA-N | |
| O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl,1,VEPKQEUBKLEPRA-UHFFFAOYSA-N | |
| CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1,0,NNULBSISHYWZJU-KPLGQKMUSA-N | |
| Cc1ncc2c(c1O)COC2c1ccc(Cl)cc1,0,CVKNDPRBJVBDSS-UHFFFAOYSA-N | |
| CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@@H]12)c1csc(N)n1,0,GPRBEKHLDVQUJE-IHRZXMQVSA-N | |
| CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1,0,OCUJLLGVOUDECM-UHFFFAOYSA-N | |
| C[C@@H]1[C@H](O)[C@@H](C)C=CC=CC=CC=CC=CC=CC=C[C@H](O[C@H]2O[C@@H](C)[C@H](O)[C@@H](N)[C@@H]2O)C[C@H]2O[C@@](O)(C[C@H](O)C[C@H](O)[C@H](O)CC[C@H](O)C[C@@H](O)CC(=O)O[C@@H]1C)C[C@@H](O)[C@@H]2C(=O)O,0,APKFDSVGJQXUKY-XQGQVYCLSA-N | |
| CCCN1C[C@H](NS(=O)(=O)N(CC)CC)C[C@@H]2Cc3c(O)cccc3C[C@@H]21,1,GDFGTRDCCWFXTG-LMMKCTJWSA-N | |
| CC1(C)O[C@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(C(=O)COC(=O)C2CC2)O1,1,TZBDXWBBMOEVPI-YEZQVYJISA-N | |
| N[C@@H]1C[C@H]1c1ccccc1,1,AELCINSCMGFISI-DTWKUNHWSA-N | |
| CCN(CC)CC(=O)Nc1c(C)cccc1C,0,NNJVILVZKWQKPM-UHFFFAOYSA-N | |
| OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,1,ZQDWXGKKHFNSQK-UHFFFAOYSA-N | |
| C#CCO,1,TVDSBUOJIPERQY-UHFFFAOYSA-N | |
| COCn1nc(-c2ccc(OC)cc2)nc1-c1cccc(CN(C)C)c1,1,NGSYQSAXPSGYTQ-UHFFFAOYSA-N | |
| CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1,0,VSJKWCGYPAHWDS-UHFFFAOYSA-N | |
| O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1,0,CULUWZNBISUWAS-UHFFFAOYSA-N | |
| COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1,0,VJXSSYDSOJBUAV-UHFFFAOYSA-N | |
| COc1ccc2c3c([nH]c2c1)C1CC2C(CC(OC(=O)c4cc(OC)c(OC)c(OC)c4)C(OC)C2OC(C)=O)CN1CC3,1,MDMGHDFNKNZPAU-UHFFFAOYSA-N | |
| Cc1nc2c(c(-n3ccc(C(F)(F)F)n3)n1)CCN2c1ccc(Cl)cc1Cl,1,WLEYKQDUDWHGCU-UHFFFAOYSA-N | |
| CC(C[N+](C)(C)C)OC(N)=O.[Cl-],0,XXRMYXBSBOVVBH-UHFFFAOYSA-N | |
| O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1,1,BAINIUMDFURPJM-UHFFFAOYSA-N | |
| CN1C[C@H](CN2CC(=O)NC(=O)C2)C=C2c3cccc4[nH]cc(c34)C[C@H]21,1,RJCXNCSJGRUWRW-SJKOYZFVSA-N | |
| COC(=O)[C@@H]1C(=O)C=C(Nc2cccc([N+](=O)[O-])c2)C[C@H]1C,1,DPYRNTAPLILYLA-OTYXRUKQSA-N | |
| C[C@H]1CC[C@H](C)[C@@H](C)C1,1,VCJPCEVERINRSG-CIUDSAMLSA-N | |
| c1ccc2c(c1)CCc1ccccc1N2C1CN2CCC1CC2,1,JCBQCKFFSPGEDY-UHFFFAOYSA-N | |
| CC[C@]12CCN(CC3(O)CC3)[C@H](Cc3ccc(O)cc31)C2(C)C,1,ZDXGFIXMPOUDFF-XLIONFOSSA-N | |
| O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1,0,JZFPYUNJRRFVQU-UHFFFAOYSA-N | |
| O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21,1,GNBHRKFJIUUOQI-UHFFFAOYSA-N | |
| O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C=CBr,0,ODZBBRURCPAEIQ-UHFFFAOYSA-N | |
| CC(C)C1CCC(C(=O)NC(Cc2ccccc2)C(=O)O)CC1,0,OELFLUMRDSZNSF-UHFFFAOYSA-N | |
| ClCC(Cl)Cl,0,UBOXGVDOUJQMTN-UHFFFAOYSA-N | |
| CC(=O)C1CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CCC4(C)[C@H]3[C@@H](O)CC12C,1,GZENKSODFLBBHQ-SMAODLFLSA-N | |
| CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1.O.O,0,KURFSUDYQUKEJZ-SBMYYUOMSA-N | |
| CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=NOCOCCOC)C(C)C(O)C1(C)O,0,RXZBMPWDPOLZGW-UHFFFAOYSA-N | |
| CS(=O)(=O)Nc1cc2occ(NC=O)c(=O)c2cc1Oc1ccccc1,0,ANMATWQYLIFGOK-UHFFFAOYSA-N | |
| NCc1c[n+]2ccccc2[nH]1,0,GBRIYMLJYQLICB-UHFFFAOYSA-O | |
| COc1cc2c(cc1OC)S(=O)(=O)OC(C(=O)NC(C)CC(C)(C)N(C)C)C2,1,CXGGLKVQGDLNGH-UHFFFAOYSA-N | |
| CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,1,NKANXQFJJICGDU-QPLCGJKRSA-N | |
| COc1cccc2c(O)c3c(c(O)c12)C(=O)C1=C(CC(O)(C(O)CO)CC1O)C3=O,0,QDKXHMBKOZKZTN-UHFFFAOYSA-N | |
| CNC(C)CCC=C(C)C,1,XVQUOJBERHHONY-UHFFFAOYSA-N | |
| COP(=O)(CC(c1ccc(Cl)cc1)P(=O)(OC)OC)OC,1,FBMIFGQNQLMHKP-UHFFFAOYSA-N | |
| C[C@@H](NCCn1cnc2c1c(=O)n(C)c(=O)n2C)[C@H](O)c1ccccc1,1,UJSKUDDDPKGBJY-DOMZBBRYSA-N | |
| CC(OC(N)=O)C(C)C(C)OC(N)=O,1,XAIVVICFVUFHEP-UHFFFAOYSA-N | |
| CC=CC1OC2(C(=O)COC(=O)c3ccncc3)CCC3(O1)C1CCC4=CC(=O)CCC4(C)C1C(O)CC23C,1,LZHLAFIPUJPCBN-UHFFFAOYSA-N | |
| CC(C)(Oc1ccc(Cl)cc1)C(=O)NC(C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O)c1ccccc1,0,BSIJLJGDLNRGBY-UHFFFAOYSA-N | |
| CCOc1ccc2ccccc2c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O,0,GPXLMGHLHQJAGZ-JTDSTZFVSA-N | |
| C=C1C[C@H]2[C@@H]3C=CC4=CC(=O)CCC4(C)[C@H]3C(O)CC2(C)C1(O)C(=O)CO,1,MAAGHJOYEMWLNT-SKTLWLFVSA-N | |
| CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1,0,KHOITXIGCFIULA-UHFFFAOYSA-N | |
| CC(C)(C)NC[C@@H](O)c1ccc(O)c(NC(N)=O)c1,0,KEMXXQOFIRIICG-LLVKDONJSA-N | |
| C=CC[N+]12CCC34c5ccccc5N5C=C6C7CC8C9(CC[N+]8(CC=C)CC7=CCO)c7ccccc7N(C=C(C(CC31)C(=CCO)C2)C54)C69,0,MUQUYTSLDVKIOF-UHFFFAOYSA-N | |
| N=C(N)N=c1[nH]c(-c2ccc(O)c(O)c2)cs1,0,PQHOEQGYFYWQLL-UHFFFAOYSA-N | |
| NCCc1nccs1,1,TWZOYAWHWDRMEZ-UHFFFAOYSA-N | |
| C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CCC2(O)C(=O)CO,0,XOFYZVNMUHMLCC-CDBGVDQESA-N | |
| O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1F,0,ODKNJVUHOIMIIZ-UHFFFAOYSA-N | |
| CN1C(=O)CC[C@H]1c1cccnc1,1,UIKROCXWUNQSPJ-VIFPVBQESA-N | |
| CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O,0,FAEKWTJYAYMJKF-QHCPKHFHSA-N | |
| CN(C)[C@H]1C(O)=C(C(=O)N[C@H](C(=O)O)N2CCN(CCO)CC2)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12,0,HRWVXKVRSNICJQ-SHTFYENBSA-N | |
| Oc1ccccc1-c1nnco1,1,OINXXHYENYVYPB-UHFFFAOYSA-N | |
| O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)O,0,OZWKMVRBQXNZKK-LLVKDONJSA-N | |
| O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2[nH]cnc2[C@H]1CN1CC[C@@H](O)C1,0,IEANSZPCUCEGTM-CXAGYDPISA-N | |
| N=C1NC(=O)[C@@H](c2ccccc2)O1,1,NRNCYVBFPDDJNE-SSDOTTSWSA-N | |
| CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1,1,NWIUTZDMDHAVTP-KRWDZBQOSA-N | |
| COc1cccc2c1C=[N+](c1ccc(C)cc1)CC2.[Br-],1,CJILBAQJLPTCAU-UHFFFAOYSA-M | |
| O=[N+]([O-])O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O,0,YWXYYJSYQOXTPL-SLPGGIOYSA-N | |
| CC1(C)S[C@@H]2[C@@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@@H]1C(=O)O[C@@H]1OC(=O)c2ccccc21,0,SOROUYSPFADXSN-NTWZOOLISA-N | |
| CCOC(=O)C[C@H](O)C[C@H](O)/C=C/C1=C(c2ccc(F)cc2)c2ccccc2OC12CCCC2,1,ZADJRRFMOOACHL-WRBWEIJPSA-N | |
| O=C(NCCCOc1cccc(CN2CCCCC2)c1)c1ccccc1,1,IKQPZPCUEJJIRL-UHFFFAOYSA-N | |
| O=C1CCC(C(=O)N[C@@H](c2ccc(F)cc2)C2CC(O)C2)=NN1,1,DXJVOYZSSJIYIL-QHAMSDLMSA-N | |
| C=CCC1([C@@H](C)CCC)C(=O)NC(=S)NC1=O,1,XLOMZPUITCYLMJ-QMMMGPOBSA-N | |
| CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)Cc3ccccc3)[C@@H]2SC1,0,GOFCPYKUMJBHBH-JRZJBTRGSA-N | |
| O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(CCO)C[C@@H]1CN1CC[C@@H](O)C1,0,SPNVIEKNVFWGMT-HZPDHXFCSA-N | |
| COC1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@H]21,0,JSDXOWVAHXDYCU-HDGHARFNSA-N | |
| CC(OC1OCCN(Cc2n[nH]c(=O)[nH]2)C1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,1,ATALOFNDEOCMKK-UHFFFAOYSA-N | |
| O=C(Nc1cc(Cl)ccc1O)Nc1cc(C(F)(F)F)ccc1Cl,0,OUDXRNQPVSMGDW-UHFFFAOYSA-N | |
| COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1,0,ZBBHBTPTTSWHBA-DEOSSOPVSA-N | |
| CC(CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1,0,BMKDZUISNHGIBY-UHFFFAOYSA-N | |
| O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2occc2[C@H]1CN1CC[C@@H](O)C1,1,FGHHKXQJPIQMCC-RDTXWAMCSA-N | |
| CS(=O)(=O)C1C(c2ccc3c(c2)OCO3)C1(CN)CO,1,RMOFMFALAKCNGT-UHFFFAOYSA-N | |
| Cc1ccc([C@H](C)NC(=O)[C@H](C)SCc2ccccc2)cc1C,0,YMDWSSKBYYLCHU-IRXDYDNUSA-N | |
| NC[C@@H]1O[C@@H](O[C@@H]2[C@@H](O[C@@H]3OC(CO)[C@@H](O[C@@H]4O[C@@H](CN)[C@@H](O)[C@@H](O)[C@@H]4N)[C@@H]3O)[C@@H](O)[C@@H](N)C[C@@H]2N)[C@@H](N)[C@H](O)[C@@H]1O,0,PGBHMTALBVVCIT-FPGJDPFLSA-N | |
| COc1cc2c(c(OC)c1OC)C(c1cccc3ccccc13)CC(=O)O2,1,UZWRMYADSILAMG-UHFFFAOYSA-N | |
| OC1COC(O)C(O)C1O,0,SRBFZHDQGSBBOR-UHFFFAOYSA-N | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN[C@H](C)C3)c(F)c21,0,ZEKZLJVOYLTDKK-SECBINFHSA-N | |
| CC1=NC(=O)C(O)Nc2ccc(Cl)cc21,1,CWUCTYCRLXUXLI-UHFFFAOYSA-N | |
| CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)N1,0,FABUFPQFXZVHFB-UHFFFAOYSA-N | |
| O=c1[nH]cnc2n[nH]cc12,1,OFCNXPDARWKPPY-UHFFFAOYSA-N | |
| CCOCC1(C(N)=S)C(c2ccc(OC)cc2)C1S(C)(=O)=O,0,KYFMLCAOSZFIQH-UHFFFAOYSA-N | |
| Clc1ccc2c(c1)C(=CC1CN3CCC1CC3)c1ccccc1S2,1,FCXKKBQJIUTOHH-UHFFFAOYSA-N | |
| O=C1CC(=O)C2=CC(OC3OC(CO)C(O)C(O)C3O)=C(c3ccc(O)c(O)c3)OC2C1,1,KYNGHEOMPYATPH-UHFFFAOYSA-N | |
| COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)([C@@H](O)CO)C[C@@H]3O,0,CGVVIRBOJFDFBH-WRFWYCALSA-N | |
| CC(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@H]2C1,1,UPMOVJBGNREKJV-CQOQZXRMSA-N | |
| CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3,1,VDUWPHTZYNWKRN-UHFFFAOYSA-N | |
| OCCN1CCN(CCC[C@H]2c3ccc(F)cc3Sc3ccc(C(F)(F)F)cc32)CC1,1,BJWAPFORUPUXRJ-SFHVURJKSA-N | |
| CN1C[C@H]2Cc3ccc(Cl)cc3[C@@H](c3ccccc3)[C@H]2C1,1,ZHKXDUQRKZQCQV-AYOQOUSVSA-N | |
| COc1cc2oc(=O)c(C)c(C)c2cc1OCCCN1CCN(c2ccccc2OC)CC1,1,FQELZLMTAPJJOL-UHFFFAOYSA-N | |
| CNCCCC1(C)C(=O)N(c2ccccc2)c2ccccc21,1,HBGWAZBZXJBYQD-UHFFFAOYSA-N | |
| COC1(NC(O)=c2sc(=C(C#N)C(=O)O)s2)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC21,0,OZVMOQPUQOLDBN-UHFFFAOYSA-N | |
| O=C(CCNNC(=O)c1ccncc1)NCc1ccccc1,1,NOIIUHRQUVNIDD-UHFFFAOYSA-N | |
| CC(=O)OCC(=O)C12N=C(C)OC1CC1C3CCC4=CC(=O)C=CC4(C)[C@@]3(F)C(O)CC12C,1,BYZCJOHDXLROEC-CGEUKGNOSA-N | |
| COc1ccccc1CCCNC(=O)CCSc1ccccc1,1,GIKZVDIKNMNYLE-UHFFFAOYSA-N | |
| CC(C)N1CCN(c2ccc(OCC3COC(Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,0,BLSQLHNBWJLIBQ-UHFFFAOYSA-N | |
| CC[C@@H](OC(C)=O)C(C[C@@H](C)N(C)C)(c1ccccc1)c1ccccc1,1,XBMIVRRWGCYBTQ-XMSQKQJNSA-N | |
| C=CC[C@]1([C@H](C)C#CCC)C(=O)NC(=O)N(C)C1=O,1,NZXKDOXHBHYTKP-YGRLFVJLSA-N | |
| COc1ccc(CCN(C)CCC[C@@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC,0,SGTNSNPWRIOYBX-MHZLTWQESA-N | |
| Cc1cccc(Cl)c1NC(=O)C=C1SCC(=O)N1C,1,YJXQTIXFPYPQFT-UHFFFAOYSA-N | |
| CN1c2cc(F)ccc2C(c2ccccc2)=NC[C@@H]1CNC(=O)c1ccoc1,1,QJSCDZOUCFWCKD-GOSISDBHSA-N | |
| C=CCN1C(=O)C(CC(C)C)NC1=S,1,RATGSRSDPNECNO-UHFFFAOYSA-N | |
| CC(C)COC[C@@H](CN(Cc1ccccc1)c1ccccc1)N1CCCC1,0,UIEATEWHFDRYRU-XMMPIXPASA-N | |
| Oc1ccc2c(c1)C13CCN(CC4CC4)C(C2)[C@H]1CCOC3,1,USEITRSTDJBLBU-IPJUCJBFSA-N | |
| C[C@@H]1c2ccccc2[C@H](CCCN(C)C)c2cc(C(F)(F)F)ccc21,1,JTAJFHGSVCEPKC-KUHUBIRLSA-N | |
| CC(=N)N1CCC(SC2=C(C(=O)O)N3C(=O)C(C(C)O)C3C2)C1,0,TYMABNNERDVXID-UHFFFAOYSA-N | |
| C/C=C/C=C/C1OC(O)(C(CC)C(=O)NC/C=C/C=C(\C)C(OC)C(C)C2OC(/C=C/C=C/C=C(\C)C(=O)c3c(O)n(C)ccc3=O)C(O)C2O)C(O)C(OC2OC(C)C(OC3OC(C)C(OC)C(O)C3OC)C(OC)C2O)C1(C)C,0,UKJUBQQKUQHKQI-OUYMVFBDSA-N | |
| Clc1cnn(CCCCN2CCN(c3ncccn3)CC2)c1,1,AHCPKWJUALHOPH-UHFFFAOYSA-N | |
| CCC(=O)OC1(C(=O)SCF)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,1,WMWTYOKRWGGJOA-DQBLOJITSA-N | |
| CCN(CC)CCC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21,1,VHEOUJNDDFHPGJ-UHFFFAOYSA-N | |
| CN1CCC23c4c5ccc(O)c4OC2C(=O)C=CC3(CCCCCN)C1C5,1,MSDWJSMXRKVAIJ-UHFFFAOYSA-N | |
| C=C[C@@]12CC[C@@H](O[C@H]3C[C@@H](OC)[C@@H](O)[C@H](C)O3)C[C@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@@]12O,1,TVKFAQWBXLYLTJ-YKQPCYOJSA-N | |
| CO/N=C(/C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(CN3C=CCC4=C3CCCC4)CS[C@H]12)c1csc(N)n1,0,KCLMXLXULJDXPK-GJNNJVKPSA-N | |
| CN(C)CCO[C@H](c1ccccc1)c1ccccc1C(C)(C)C,1,OGNRRAFRDFGFKA-HXUWFJFHSA-N | |
| c1ccc2nc(N3CCNCC3)ccc2c1,1,XRXDAJYKGWNHTQ-UHFFFAOYSA-N | |
| COc1ccc(C(NC(=O)c2cc(=O)c(OC)c[nH]2)C2CC(O)C2)cc1F,0,BWHJGHCNXBUGRB-UHFFFAOYSA-N | |
| CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)[O-])c1I.[Na+],0,ZEYOIOAKZLALAP-UHFFFAOYSA-M | |
| O=C(O)COc1ccc(Cl)cc1Cl,1,OVSKIKFHRZPJSS-UHFFFAOYSA-N | |
| O=c1c(Cc2c(O)oc3ccccc3c2=O)c(O)oc2ccccc12,0,KSKRYQVHJQRUNC-UHFFFAOYSA-N | |
| COCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,1,PBGIBLLOMGURPS-GRGSLBFTSA-N | |
| COC(OC)C(=O)[C@@]12OC(C)(C)O[C@@H]1CC1C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C,1,IUIYEHXOIMMQJY-DZSBODPVSA-N | |
| O=c1cccc2n1C[C@@H]1CNC[C@@H]2C1,0,ANJTVLIZGCUXLD-IUCAKERBSA-N | |
| CCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@H]3C[C@H](C)C4=CC(=O)C=C[C@@]4(C)[C@H]3[C@H](O)C[C@]21C,1,DALKLAYLIPSCQL-ASWMPCTKSA-N | |
| CC(=O)Oc1ccc(/C=C/C(=O)NCCc2ccccc2)cc1OC(C)=O,0,GARHCDOTUULBOQ-PKNBQFBNSA-N | |
| CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)[C@H](C(=O)O)C(C)C,1,ACWBQPMHZXGDFX-QFIPXVFZSA-N | |
| CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)CC1,0,XBJBPGROQZJDOJ-UHFFFAOYSA-N | |
| CO/N=C(\C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS(=O)[C@@H]12)c1csc(N)n1,0,MMQXRUYUBYWTDP-HXDMBIGLSA-N | |
| CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO,1,OIGNJSKKLXVSLS-UHFFFAOYSA-N | |
| CC(O)=NO,0,RRUDCFGSUDOHDG-UHFFFAOYSA-N | |
| C[C@H]1C[C@@H]2[C@H]([C@@H](O)CC3(C)[C@H]2CCC3(O)C(=O)CO)C2(C)C=CC(=O)C=C12,1,VHRSUDSXCMQTMA-RPYIMXATSA-N | |
| CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1,0,HYAFETHFCAUJAY-UHFFFAOYSA-N | |
| NC[C@H]1CC[C@H](N)[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@H](N)[C@@H]3O)[C@@H](N)C[C@H]2N)O1,0,JJCQSGDBDPYCEO-TZHMMAPKSA-N | |
| O=CC1C(c2ccccc2)C1S(=O)(=O)c1ccc(Cl)cc1,1,KYQFFJVSFRZRSP-UHFFFAOYSA-N | |
| CCCN(CCc1cccs1)C1CCc2c(O)cccc2C1,1,KFQYTPMOWPVWEJ-UHFFFAOYSA-N | |
| Fc1cccc(Br)c1N=C1NCCN1,1,KDPNLRQZHDJRFU-UHFFFAOYSA-N | |
| O=C(CF)NCCCCCC(=O)Nc1ccccc1,1,CTIPNMFQHMZNGL-UHFFFAOYSA-N | |
| Nc1c(Br)cc(Br)cc1CNC1CCC(O)CC1,0,JBDGDEWWOUBZPM-UHFFFAOYSA-N | |
| CC(C)[C@H]1CC[C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1,1,OELFLUMRDSZNSF-IXDOHACOSA-N | |
| C=CCCCCCC,1,KWKAKUADMBZCLK-UHFFFAOYSA-N | |
| O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@H]1O,1,ADIMAYPTOBDMTL-HNNXBMFYSA-N | |
| CNCCC=C1c2ccccc2C2CC2c2ccccc21,1,MILRTYCRJIRPKY-UHFFFAOYSA-N | |
| CC(C)(C)C(=O)SCC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@H]3[C@@H](O)C[C@]21C,1,BISFDZNIUZIKJD-IVBJAXGESA-N | |
| Cc1cccc(C)c1,1,IVSZLXZYQVIEFR-UHFFFAOYSA-N | |
| C1=N[C@@H](CC2=Cc3ccccc3CC2)CN1,1,WNPGIHKSPQIODH-AWEZNQCLSA-N | |
| CCC(=O)O[C@H]1CC(=O)O[C@@H](C)C/C=C/C=C\[C@@H](O)[C@@H](C)C[C@@H](CC=O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O[C@H]3CC(C)(O)[C@@H](OC(=O)CC)[C@H](C)O3)[C@@H](N(C)C)[C@@H]2O)[C@H]1OC,0,DMUAPQTXSSNEDD-HJRHKBDOSA-N | |
| O=C(O)C1=C(CSc2nnnn2CS(=O)(=O)O)CS[C@@H]2[C@H](NC(=O)[C@@H](O)c3ccccc3)C(=O)N12,0,DYAIAHUQIPBDIP-PVXIVEMSSA-N | |
| CN1C[C@H](CN2CC(=O)NC(=O)C2)C=C2c3cccc4[nH]cc(c34)C[C@@H]21,1,RJCXNCSJGRUWRW-PXAZEXFGSA-N | |
| CCN(CC)S(=O)(=O)N[C@H]1C[C@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,1,YHEIHLVIKSTGJE-QILLFSRXSA-N | |
| CC(C)[C@@H](Br)C(=O)NC(N)=O,1,CMCCHHWTTBEZNM-SCSAIBSYSA-N | |
| C[C@@H]1NC(=O)C2(CCCC2)NC1=O,1,LTRSPDHUDXWHRY-LURJTMIESA-N | |
| CCOC(=O)[C@@H](CCc1ccccc1)N[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21,1,VXFJYXUZANRPDJ-VLQCVTHLSA-N | |
| OC1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1,1,USEZRIFSJXAMJD-UHFFFAOYSA-N | |
| CC[C@H](NC(=O)c1c(OCCCC(=O)O)c(-c2ccccc2)nc2ccccc12)c1ccccc1,0,FOOHZRDIAOMVJZ-QHCPKHFHSA-N | |
| CNO.Cc1oc(C(C)(C)N(C(C)(C)N)C(C)(C)N)c(C)c1C,1,AQFRNTUUMVAPRW-UHFFFAOYSA-N | |
| CC(c1noc2ccc(Cl)cc12)n1ccnc1,1,QMKRARTVXMQOBW-UHFFFAOYSA-N | |
| CSc1ccc2c(c1)N(CC(C)CN(C)C)c1ccccc1S2,1,AQMNNXSLDLIGII-UHFFFAOYSA-N | |
| CNCC(O)c1cccc(O)c1,1,SONNWYBIRXJNDC-UHFFFAOYSA-N | |
| O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O,0,RJMUSRYZPJIFPJ-UHFFFAOYSA-N | |
| CC[C@@H](C(=O)NC(N)=O)c1ccccc1,1,AJOQSQHYDOFIOX-SECBINFHSA-N | |
| CC(Cc1ccccc1)NC(=O)C(N)CCCCN,1,VOBHXZCDAVEXEY-UHFFFAOYSA-N | |
| CN(CC=CC#CC(C)(C)C)Cc1cccc2ccccc12,1,DOMXUEMWDBAQBQ-UHFFFAOYSA-N | |
| CN[C@H](CC(C)C)C(=O)N[C@@H]1C(=O)N[C@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@@H]3C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2C[C@@](C)(N)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@@H]1O,0,MYPYJXKWCTUITO-UZRINGTFSA-N | |
| CC(C)C1(O)CCN2CC3c4ccccc4CCc4cccc(c43)C2C1,1,UPMOVJBGNREKJV-UHFFFAOYSA-N | |
| CC(C)(C)C(=O)OCOC(=O)[C@H]1N2C(=O)[C@H](N=CN3CCCCCC3)[C@@H]2SC1(C)C,0,NPGNOVNWUSPMDP-UXLLHSPISA-N | |
| C/C=C/C=C/C1OC(O)(C(CC)C(=O)NC/C=C/C=C(\C)C(OC)C(C)C2OC(/C=C/C=C/C=C(\C)C(=O)c3c(O)ccn(C)c3=O)C(O)C2O)C(O)C(OC2OC(C)C(OC3OC(C)C(OC)C(O)C3OC)C(OC)C2O)C1(C)C,0,ASOJLQIBBYOFDE-OUYMVFBDSA-N | |
| Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O,0,UIOFUWFRIANQPC-GRDNDAEWSA-N | |
| C[C@H](C(=O)O)c1ccc(-c2cccc(F)c2)cc1,1,TYCOFFBAZNSQOJ-JTQLQIEISA-N | |
| Clc1ccc2c(c1)[C@H]1CNC[C@H]1c1ccccc1O2,1,DQUCRGAOGUQHJQ-UONOGXRCSA-N | |
| Cc1ccc(OCC(C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1,1,SZIITQGBIWPLCX-UHFFFAOYSA-N | |
| CN1CCN(CCC(=O)N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,1,DOUQJBPSTIKRPH-UHFFFAOYSA-N | |
| CNc1cc(OC)c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1Cl,1,KRVOJOCLBAAKSJ-KDOFPFPSSA-N | |
| COC1CN(CC2Cc3ccc(C#N)cc3C2)CCC1n1c(C(C)(C)O)nc2cc(C)ccc21,1,DDPFMTCKLODLQM-UHFFFAOYSA-N | |
| CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)CC[C@@]3(O)[C@H]1C5,1,AABLHGPVOULICI-BRJGLHKUSA-N | |
| CO/N=C(/C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(N)=O)CSC12)c1ccco1,0,JFPVXVDWJQMJEE-DJKKODMXSA-N | |
| CC(=O)N1CCN(c2ccc(OCC3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,1,XMAYWYJOQHXEEK-ANWICMFUSA-N | |
| NC(=O)OC[C@@H]1[C@H](NC(=O)/C(=N\OCC(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O,0,UIMOJFJSJSIGLV-JNHMLNOCSA-N | |
| CCN1CCN(C(=O)N[C@H](C(=O)N[C@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)C(=O)C1=O,0,GCFBRXLSHGKWDP-PONJGIIJSA-N | |
| N=C1NC(=O)C(c2ccccc2)O1,1,NRNCYVBFPDDJNE-UHFFFAOYSA-N | |
| CCN1CCN(Cc2ccc(-c3cc4c(N[C@H](C)c5ccccc5)ncnc4[nH]3)cc2)CC1,1,OONFNUWBHFSNBT-HXUWFJFHSA-N | |
| COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@H]3O[C@H]1C[C@@H](NC(=O)[C@H](N)CC(C)C)[C@H](O)[C@H](C)O1,0,HROXIDVVXKDCBD-QWWQYBCNSA-N | |
| CN(C)C1C(=O)C(C(=O)NCN2CCN(CCO)CC2)=C(O)C2(O)C(=O)C3=C(O)c4c(O)cccc4C(C)(O)C3CC12,0,RAUQZDNDLCIQFJ-UHFFFAOYSA-N | |
| C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,0,UREBDLICKHMUKA-DVTGEIKXSA-N | |
| CN1CCN2c3ncccc3Cc3ccccc3C2C1,1,RONZAEMNMFQXRA-UHFFFAOYSA-N | |
| CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@H]1C[C@H]1[C@H]3C[C@H](F)C4=CC(=O)C=C[C@@]4(C)[C@@]3(F)[C@H](O)C[C@]12C,1,WJOHZNCJWYWUJD-HAKHEWLESA-N | |
| CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc1,0,FBOZXECLQNJBKD-CYBMUJFWSA-N | |
| CN1CCC23c4c5ccc(O)c4O[C@H]2CCC[C@@H]3C1C5,1,LNNWVNGFPYWNQE-DXMOGKONSA-N | |
| CN1[C@@H]2CC[C@H]1CC(OC(=O)[C@](C)(CO)c1ccccc1)C2,1,XZPAMMPYTOAFOU-IXEWLPCDSA-N | |
| CC(=O)OCC1=COC(OC(=O)CC(C)(C)OC(C)=O)C2C1=CC(OC(=O)CC(C)C)C21CO1,1,WQKBMPNNRRZQLG-UHFFFAOYSA-N | |
| CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C,0,HJYYPODYNSCCOU-SCYKKVLDSA-N | |
| Cc1cc2c(s1)=Nc1ccccc1NC=2N1CCN(C)CC1,1,WXPNDRBBWZMPQG-UHFFFAOYSA-N | |
| CC(=O)OCC(=O)C12OC(C)(C)OC1CC1C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC12C,1,WJOHZNCJWYWUJD-UHFFFAOYSA-N | |
| CC1(C)OC2CC3C4CC=C5CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(C(=O)COC(=O)c2cc3ccccc3o2)O1,1,NGCVHANFQXXPKS-UHFFFAOYSA-N | |
| CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1CC1C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)C3[C@@H](O)C[C@@]12C,1,WEGNFRKBIKYVLC-YILRLEJXSA-N | |
| CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)[C@H]4C5(C)CC[C@H](O)C(C)(C)[C@H]5CCC43C)[C@H]2C1,0,MPDGHEJMBKOTSU-URYISURNSA-N | |
| COCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N/OC)c3csc(N)n3)[C@H]2SC1,0,WYUSVOMTXWRGEK-LMCFTXQDSA-N | |
| CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@](C)(O)CC[C@@H]3[C@H]1C5,1,NBKVWIJQJMEQLE-UAVHIVOPSA-N | |
| CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C,0,YJQPYGGHQPGBLI-HYFMXHDLSA-N | |
| NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O,1,LDCYZAJDBXYCGN-UHFFFAOYSA-N | |
| CO[C@]1(NC(=O)CSC[C@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21,0,JSDXOWVAHXDYCU-OJYXWISLSA-N | |
| OCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(Cl)cc32)CC1,1,WFPIAZLQTJBIFN-DVZOWYKESA-N | |
| CN(C)c1nsc(NC(c2cnc3ccccc3c2)C2CC(O)C2)n1,1,ZFFWUDWJJHMIKY-UHFFFAOYSA-N | |
| O=C(O)c1ccccc1O,0,YGSDEFSMJLZEOE-UHFFFAOYSA-N | |
| CC[C@H](C)N1CCN(c2ccc(I)cc2)CC1,1,NTNHYNXHZGEEOM-LBPRGKRZSA-N | |
| CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC12C,1,DUHUCHOQIDJXAT-UHFFFAOYSA-N | |
| CC(=O)C1(O)CCC2C3CC(C)=C4CC(=O)CCC4(C)C3CCC21C,0,QOVGIKUHSFCSIK-UHFFFAOYSA-N | |
| C[C@@H]1CN(C2CCC(C#N)(c3ccc(F)cc3)CC2)CC[C@]1(C(=O)O)c1ccccc1,1,ZCGOMHNNNFPNMX-YHYDXASRSA-N | |
| C[C@@]12CC(=O)[C@@H]3[C@H](CC[C@@H]4C[C@H](O)CC[C@]43C)[C@H]1CC[C@@H]2C(=O)CO,1,XWYBFXIUISNTQG-WNLXHEKGSA-N | |
| C[C@@H]1C[C@H]2C3CC(F)(F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,1,QVTPFMPYKMLGGK-QISVQQBFSA-N | |
| ClCC1CO1.NCCNCCNCCNCCN,0,GMRWGQCZJGVHKL-UHFFFAOYSA-N | |
| CC[C@@]12CCN(CC3(O)CC3)[C@@H](Cc3ccc(O)cc31)C2(C)C,1,ZDXGFIXMPOUDFF-FXAWDEMLSA-N | |
| C1=C(CC2=NCCN2)CCc2ccccc21,1,WETRBJOSGIDJHQ-UHFFFAOYSA-N | |
| COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)C2(CN)CN)cc1,1,LVMNPCOMZITOEE-IAGOWNOFSA-N | |
| C[C@@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@@H]3[C@H]1CC[C@@H]2O,1,FRPJXPJMRWBBIH-HVJVJISESA-N | |
| CN1CCC23c4c5ccc(O)c4O[C@@H]2[C@@H](O)CC[C@@H]3C1C5,1,IJVCSMSMFSCRME-HVZDXSSYSA-N | |
| NC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@H](N)[C@@H]3O)[C@H](NC(CO)CO)C[C@H]2N)[C@H](N)[C@H](O)[C@@H]1O,0,ZEFUFVWPRPISAD-YOSWZARUSA-N | |
| CC12CCC(=O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)CO,1,MFYSYFVPBJMHGN-UHFFFAOYSA-N | |
| CC(=O)[C@H]1CCC2C3CC[C@H]4C[C@](C)(O)CC[C@]4(C)C3CC[C@@]21C,1,PGTVWKLGGCQMBR-XYZZJYPZSA-N | |
| CN1CCN2c3ncccc3Cc3ccccc3[C@H]2C1,1,RONZAEMNMFQXRA-MRXNPFEDSA-N | |
| CCC(=O)OCC(=O)C1(OC(=O)CC)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,1,CIWBQSYVNNPZIQ-UHFFFAOYSA-N | |
| CC(N)Cc1ccccc1,1,KWTSXDURSIMDCE-UHFFFAOYSA-N | |
| CC(C)n1c(/C=C/[C@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,1,FJLGEFLZQAZZCD-FUTHQCHMSA-N | |
| CC1CS(=O)(=O)CCN1N=Cc1ccc([N+](=O)[O-])o1,0,ARFHIAQFJWUCFH-UHFFFAOYSA-N | |
| CC(SC(=O)c1cccs1)C(=O)NCC(=O)O,0,JNYSEDHQJCOWQU-UHFFFAOYSA-N | |
| CC(C)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1,1,FVYUQFQCEOZYHZ-ZDUSSCGKSA-N | |
| CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3OC2OC(CO)C(O)C(O)C2OC2CC(C)(N)C(O)C(C)O2)Oc2ccc(cc2Cl)C1O,0,MYPYJXKWCTUITO-UHFFFAOYSA-N | |
| CN(C)CCCN1c2ccccc2Sc2cccnc21,1,JTTAUPUMOLRVRA-UHFFFAOYSA-N | |
| CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1,0,NCDNCNXCDXHOMX-XGKFQTDJSA-N | |
| CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O,0,XLXSAKCOAKORKW-AQJXLSMYSA-N | |
| Nc1nc(/C(=C/CC(=O)O)C(=O)NC2C(=O)N3C(C(=O)O)=CCS[C@@H]23)cs1,0,UNJFKXSSGBWRBZ-GNQZWNEASA-N | |
| Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1,0,FUSNMLFNXJSCDI-UHFFFAOYSA-N | |
| OCc1cccnc1,0,MVQVNTPHUGQQHK-UHFFFAOYSA-N | |
| CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)c3c(-c4ccccc4Cl)noc3C)C2SC1,0,OCLRGULJISNUQS-UHFFFAOYSA-N | |
| CC(C)N(CC[C@](C(N)=O)(c1ccccc1)c1cccnc1)C(C)C,1,QEAUBOOLOIJADA-NRFANRHFSA-N | |
| COc1ccccc1OC[C@H](O)COC(N)=O,1,GNXFOGHNGIVQEH-QMMMGPOBSA-N | |
| C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C,0,BFPYWIDHMRZLRN-SLHNCBLASA-N | |