smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[N-]C(=S)S/C1=C/c1cc(Br)c(N2CCCC2)o1 ZINC000059249452 493902379 /nfs/dbraw/zinc/90/23/79/493902379.db2.gz LSUHSCFJEAYGPA-RMKNXTFCSA-N -1 1 359.270 3.131 40 10 FGCBMM CCCCCCOc1ccc(Cl)cc1C=C1C(=O)[N-]C(=S)NC1=O ZINC000408537601 499591848 /nfs/dbraw/zinc/59/18/48/499591848.db2.gz GEONKVXCMSITBZ-UHFFFAOYSA-N -1 1 366.870 3.213 40 10 FGCBMM CC(C)N1c2ccc(C=C3C(=O)[N-]C(=S)NC3=O)cc2[C@H](C)CC1(C)C ZINC000260573647 497406223 /nfs/dbraw/zinc/40/62/23/497406223.db2.gz ZIESDXHSSZOQKQ-GFCCVEGCSA-N -1 1 371.506 3.102 40 10 FGCBMM CCN1c2cc(C)c(C=C3C(=O)[N-]C(=S)NC3=O)cc2[C@H](C)CC1(C)C ZINC000113790395 495330718 /nfs/dbraw/zinc/33/07/18/495330718.db2.gz QETJZRJBECSJBK-GFCCVEGCSA-N -1 1 371.506 3.021 40 10 FGCBMM CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3C)c2C)C(=O)[N-]C1=S ZINC000409392566 570755891 /nfs/dbraw/zinc/75/58/91/570755891.db2.gz QVSIJUZTUOJQIW-LFIBNONCSA-N -1 1 367.474 3.049 40 10 FGCBMM COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=C2SC(=O)[N-]C2=O)c1C ZINC000408817307 499595261 /nfs/dbraw/zinc/59/52/61/499595261.db2.gz NBKVVQPEDLHGBJ-CHHVJCJISA-N -1 1 373.390 3.335 40 10 FGCBMM CCOC(=O)c1nn(-c2ccccc2)cc1C=C1SC(=O)[N-]C1=S ZINC000096305995 209150538 /nfs/dbraw/zinc/15/05/38/209150538.db2.gz ULLDUHAQUCWVSV-WQLSENKSSA-N -1 1 359.432 3.174 40 10 FGCBMM CC1=NN(c2nn[n-]n2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2C)o1 ZINC000012372477 494227553 /nfs/dbraw/zinc/22/75/53/494227553.db2.gz FNBFRLHMLNLQLA-JYRVWZFOSA-N -1 1 368.784 3.228 40 10 FGCBMM CCN1C(=O)C(=Cc2c(OC)ccc3ccc(OC)cc32)C(=O)[N-]C1=S ZINC000006950743 493989360 /nfs/dbraw/zinc/98/93/60/493989360.db2.gz RITOAERVRKPLOE-XNTDXEJSSA-N -1 1 370.430 3.344 40 10 FGCBMM CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)cc3)c2C)C(=O)[N-]C1=S ZINC000002263387 493804585 /nfs/dbraw/zinc/80/45/85/493804585.db2.gz PRAKNMQWMGRIMB-GZTJUZNOSA-N -1 1 367.474 3.049 40 10 FGCBMM O=C(COc1cccc(C=C2SC(=S)[N-]C2=O)c1)Nc1ccccc1 ZINC000015056003 494335347 /nfs/dbraw/zinc/33/53/47/494335347.db2.gz DFNXKVLMEYZICO-GDNBJRDFSA-N -1 1 370.455 3.193 40 10 FGCBMM Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(C(=O)[O-])c(O)c1 ZINC000100148816 209210626 /nfs/dbraw/zinc/21/06/26/209210626.db2.gz ZZDQYKQJOSBZLE-YBEGLDIGSA-N -1 1 351.362 3.117 40 10 FGCBMM CC[C@H](C)Oc1c(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cccc1OC ZINC000033668696 494062154 /nfs/dbraw/zinc/06/21/54/494062154.db2.gz AJJYGGPRIHJJLV-DLRWLJPMSA-N -1 1 366.417 3.334 40 10 FGCBMM CC[C@@H](C)Oc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cccc1OC ZINC000033668693 494062380 /nfs/dbraw/zinc/06/23/80/494062380.db2.gz AJJYGGPRIHJJLV-CPZHOGDASA-N -1 1 366.417 3.334 40 10 FGCBMM C#CCOc1ccc2ccccc2c1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O ZINC000107609706 495529595 /nfs/dbraw/zinc/52/95/95/495529595.db2.gz SFNFPUNRDYSHKW-HKWRFOASSA-N -1 1 368.392 3.313 40 10 FGCBMM O=C1[N-]C(=O)/C(=C\c2c(Cc3cccc(F)c3)ccc3ccccc32)C(=O)N1 ZINC000408876515 570694869 /nfs/dbraw/zinc/69/48/69/570694869.db2.gz POZDTCXHSAKFOI-UHFFFAOYSA-N -1 1 374.371 3.319 40 10 FGCBMM O=C1[N-]C(=O)/C(=C/c2c(Cc3cccc(F)c3)ccc3ccccc32)C(=O)N1 ZINC000408876515 570694871 /nfs/dbraw/zinc/69/48/71/570694871.db2.gz POZDTCXHSAKFOI-UHFFFAOYSA-N -1 1 374.371 3.319 40 10 FGCBMM O=C1c2ccccc2C(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc21 ZINC000004809427 493893463 /nfs/dbraw/zinc/89/34/63/493893463.db2.gz AWLVIKDUICGLMU-UHFFFAOYSA-N -1 1 363.394 3.263 40 10 FGCBMM CCN1c2ccc(C=C3C(=O)[N-]C(=S)N(C)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223526942 132279656 /nfs/dbraw/zinc/27/96/56/132279656.db2.gz OGBXNIYVKGNALP-XBUHWIKASA-N -1 1 371.506 3.055 40 10 FGCBMM CC(=O)n1c(C)c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc21 ZINC000107745748 494596903 /nfs/dbraw/zinc/59/69/03/494596903.db2.gz PDFSGNUOSUSHIF-PDGQHHTCSA-N -1 1 359.385 3.071 40 10 FGCBMM COC(=O)c1ccccc1-n1c(C)cc(C=C2SC(=O)[N-]C2=O)c1C ZINC000106693292 495486583 /nfs/dbraw/zinc/48/65/83/495486583.db2.gz SNRNAACIUOPWHS-DHDCSXOGSA-N -1 1 356.403 3.205 40 10 FGCBMM S=c1[n-]nc(-c2ccncc2)n1NCc1ccc(N2CCCC2)cc1 ZINC000008418805 263354572 /nfs/dbraw/zinc/35/45/72/263354572.db2.gz RZNXYVTYPXQHTP-UHFFFAOYSA-N -1 1 352.467 3.347 40 10 FGCBMM O=C1/C(=C/c2ccc([O-])c(Cl)c2)SC(=S)N1C[C@H]1CCCO1 ZINC000409081622 570719708 /nfs/dbraw/zinc/71/97/08/570719708.db2.gz QMWIIMZDXXLPQF-QVASGMJFSA-N -1 1 355.868 3.426 40 10 FGCBMM Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)NC2=O)c1 ZINC000408878475 570694888 /nfs/dbraw/zinc/69/48/88/570694888.db2.gz BCIHKDUEZHOJEN-UHFFFAOYSA-N -1 1 368.820 3.297 40 10 FGCBMM Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)NC2=O)c1 ZINC000408878475 570694891 /nfs/dbraw/zinc/69/48/91/570694891.db2.gz BCIHKDUEZHOJEN-UHFFFAOYSA-N -1 1 368.820 3.297 40 10 FGCBMM O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000409101224 499595752 /nfs/dbraw/zinc/59/57/52/499595752.db2.gz SDHGSGWSRZXOBZ-UHFFFAOYSA-N -1 1 374.874 3.406 40 10 FGCBMM Cc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3Cc3ccccc3O)n2)cc1F ZINC000015674328 220159276 /nfs/dbraw/zinc/15/92/76/220159276.db2.gz NOXOUTFGUHEZKM-WBVHZDCISA-N -1 1 369.396 3.198 40 10 biogenic,in-vitro FGCBMM CCN1c2cc(C)c(C=C3C(=O)[N-]C(=S)NC3=O)cc2[C@@H](C)CC1(C)C ZINC000113790397 535784893 /nfs/dbraw/zinc/78/48/93/535784893.db2.gz QETJZRJBECSJBK-LBPRGKRZSA-N -1 1 371.506 3.021 40 10 FGCBMM Cc1cc(C)cc(Cc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)c1 ZINC000408866649 570693724 /nfs/dbraw/zinc/69/37/24/570693724.db2.gz HPRUHOFZULTIJM-UHFFFAOYSA-N -1 1 368.820 3.297 40 10 FGCBMM Cc1cc(C)cc(Cc2ccc(/C=C3/C(=O)[N-]C(=O)NC3=O)cc2Cl)c1 ZINC000408866649 570693730 /nfs/dbraw/zinc/69/37/30/570693730.db2.gz HPRUHOFZULTIJM-UHFFFAOYSA-N -1 1 368.820 3.297 40 10 FGCBMM Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)[N-]C(=O)NC3=O)cc2Cl)c1 ZINC000408866649 570693735 /nfs/dbraw/zinc/69/37/35/570693735.db2.gz HPRUHOFZULTIJM-UHFFFAOYSA-N -1 1 368.820 3.297 40 10 FGCBMM CN1C(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)[N-]C1=S ZINC000408919377 499595517 /nfs/dbraw/zinc/59/55/17/499595517.db2.gz XBSCNHJMXCBEOU-XYOKQWHBSA-N -1 1 374.506 3.244 40 10 FGCBMM CC1=CC(C)(C)N(C(C)C)c2ccc(C=C3C(=O)[N-]C(=S)NC3=O)cc21 ZINC000223481805 132279715 /nfs/dbraw/zinc/27/97/15/132279715.db2.gz ZWWNNXMAEZDMQM-UHFFFAOYSA-N -1 1 369.490 3.011 40 10 FGCBMM CC[C@@H](C)Oc1c(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cccc1OC ZINC000033668694 494062335 /nfs/dbraw/zinc/06/23/35/494062335.db2.gz AJJYGGPRIHJJLV-INQVIGDZSA-N -1 1 366.417 3.334 40 10 FGCBMM Cc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000408908432 570698046 /nfs/dbraw/zinc/69/80/46/570698046.db2.gz CKXSRKLMVXOWKK-OVCLIPMQSA-N -1 1 373.865 3.004 40 10 FGCBMM CCOC(=O)c1ccc(-n2c(C)cc([C@H]3NC[C@H](C(=O)[O-])S3)c2C)cc1 ZINC000408980399 570707816 /nfs/dbraw/zinc/70/78/16/570707816.db2.gz WHHIQDUYCYGVDC-SJORKVTESA-N -1 1 374.462 3.059 40 10 FGCBMM Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(C(=O)[O-])c(O)c1 ZINC000016312157 220182767 /nfs/dbraw/zinc/18/27/67/220182767.db2.gz XAZSXSFMEUZDFK-YVLHZVERSA-N -1 1 365.389 3.426 40 10 FGCBMM [O-]c1c(O)c(Br)c(Br)c(Br)c1O ZINC000001747827 493798402 /nfs/dbraw/zinc/79/84/02/493798402.db2.gz ARJKUIKBPQATMT-UHFFFAOYSA-N -1 1 362.799 3.091 40 10 FGCBMM COc1ccc(C(=O)Oc2ccccc2C=C2SC(=S)[N-]C2=O)cc1 ZINC000408878629 570694792 /nfs/dbraw/zinc/69/47/92/570694792.db2.gz CJIGPHZTGNENJF-GDNBJRDFSA-N -1 1 371.439 3.403 40 10 FGCBMM COc1cc(Br)c(C=C2SC(=S)[N-]C2=O)cc1OC ZINC000008106792 494068407 /nfs/dbraw/zinc/06/84/07/494068407.db2.gz MGKLTIIXSNLLHK-WMZJFQQLSA-N -1 1 360.254 3.366 40 10 FGCBMM CCN1C(=O)/C(=C/c2ccc(Sc3ccccc3)o2)C(=O)[N-]C1=S ZINC000409392952 570756236 /nfs/dbraw/zinc/75/62/36/570756236.db2.gz UJCIZISISGLIKB-JLHYYAGUSA-N -1 1 358.444 3.077 40 10 FGCBMM O=C([O-])c1ccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1 ZINC000059135982 493902920 /nfs/dbraw/zinc/90/29/20/493902920.db2.gz KUCMJQIAOCUVGR-FMIVXFBMSA-N -1 1 370.361 3.196 40 10 FGCBMM CCN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)[N-]C1=S ZINC000006938224 493988356 /nfs/dbraw/zinc/98/83/56/493988356.db2.gz NYBZWQCGLPUTKQ-UKTHLTGXSA-N -1 1 371.374 3.342 40 10 FGCBMM CCn1c2ccccc2c2cc(C=C3C(=O)[N-]C(=S)N(C)C3=O)ccc21 ZINC000408912336 499595223 /nfs/dbraw/zinc/59/52/23/499595223.db2.gz QLFADDAMQXTDPG-RVDMUPIBSA-N -1 1 363.442 3.071 40 10 FGCBMM COc1cccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1OC(C)(C)C ZINC000107851082 494612680 /nfs/dbraw/zinc/61/26/80/494612680.db2.gz RYCWUEJQJJQBLI-SSZFMOIBSA-N -1 1 366.417 3.334 40 10 FGCBMM Cc1ccc(Sc2ccc(C=C3C(=O)[N-]C(=S)N(C)C3=O)cc2)cc1 ZINC000409228269 570742289 /nfs/dbraw/zinc/74/22/89/570742289.db2.gz WOOTYYOXZAOQOJ-LFIBNONCSA-N -1 1 368.483 3.403 40 10 FGCBMM CCN1C(=O)/C(=C/c2ccc(Sc3ccccc3)cc2)C(=O)[N-]C1=S ZINC000409391045 570755938 /nfs/dbraw/zinc/75/59/38/570755938.db2.gz HEZODOSWQXDWEA-FOWTUZBSSA-N -1 1 368.483 3.484 40 10 FGCBMM CC[C@H](C)Oc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cccc1OC ZINC000033668695 494061825 /nfs/dbraw/zinc/06/18/25/494061825.db2.gz AJJYGGPRIHJJLV-ZSRMJVKVSA-N -1 1 366.417 3.334 40 10 FGCBMM COC(=O)c1cccc(-n2c(C)cc(C=C3SC(=S)[N-]C3=O)c2C)c1 ZINC000408996081 499595438 /nfs/dbraw/zinc/59/54/38/499595438.db2.gz NZKLOJDKDSWREJ-DHDCSXOGSA-N -1 1 372.471 3.370 40 10 FGCBMM CC(=O)Oc1ccc(-n2c(C)cc(C=C3SC(=O)[N-]C3=O)c2C)cc1 ZINC000083261133 494014468 /nfs/dbraw/zinc/01/44/68/494014468.db2.gz ACGPIMXYKJAZLP-SXGWCWSVSA-N -1 1 356.403 3.343 40 10 FGCBMM CCN1C(=O)/C(=C\c2ccccc2Sc2ccccc2)C(=O)[N-]C1=S ZINC000409392358 570755788 /nfs/dbraw/zinc/75/57/88/570755788.db2.gz PFQREABXPKMYSU-QINSGFPZSA-N -1 1 368.483 3.484 40 10 FGCBMM CC(C)N1c2ccc(C=C3C(=O)[N-]C(=S)NC3=O)cc2[C@@H](C)CC1(C)C ZINC000223550089 132279643 /nfs/dbraw/zinc/27/96/43/132279643.db2.gz ZIESDXHSSZOQKQ-LBPRGKRZSA-N -1 1 371.506 3.102 40 10 FGCBMM CCN1C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)[N-]C1=S ZINC000006938231 493988659 /nfs/dbraw/zinc/98/86/59/493988659.db2.gz WGBJBRKPRREKAL-UKTHLTGXSA-N -1 1 371.374 3.342 40 10 FGCBMM O=C(COc1ccccc1C=C1SC(=S)[N-]C1=O)Nc1ccccc1 ZINC000014903977 494328579 /nfs/dbraw/zinc/32/85/79/494328579.db2.gz UCBQZFMSXFOZAS-GDNBJRDFSA-N -1 1 370.455 3.193 40 10 FGCBMM Cc1cc(N2CCCC2)c(C)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O ZINC000034715467 494067846 /nfs/dbraw/zinc/06/78/46/494067846.db2.gz VYPKKELQKRLTND-RGEXLXHISA-N -1 1 361.445 3.365 40 10 FGCBMM Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(/C=C2\C(=O)[N-]C(=S)NC2=O)o1 ZINC000000825652 209377539 /nfs/dbraw/zinc/37/75/39/209377539.db2.gz PCMAAXKNKLDNBB-UHFFFAOYSA-N -1 1 371.374 3.226 40 10 FGCBMM Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(/C=C2/C(=O)[N-]C(=S)NC2=O)o1 ZINC000000825652 209377541 /nfs/dbraw/zinc/37/75/41/209377541.db2.gz PCMAAXKNKLDNBB-UHFFFAOYSA-N -1 1 371.374 3.226 40 10 FGCBMM Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(C=C2C(=O)[N-]C(=S)NC2=O)o1 ZINC000000825652 209377545 /nfs/dbraw/zinc/37/75/45/209377545.db2.gz PCMAAXKNKLDNBB-UHFFFAOYSA-N -1 1 371.374 3.226 40 10 FGCBMM CCCN(CCC)c1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc1 ZINC000016678218 494398696 /nfs/dbraw/zinc/39/86/96/494398696.db2.gz VSJRWNCXGRVDSZ-JXMROGBWSA-N -1 1 358.398 3.181 40 10 FGCBMM COc1ccc(C(=O)Oc2cccc(C=C3SC(=S)[N-]C3=O)c2)cc1 ZINC000408883289 570695181 /nfs/dbraw/zinc/69/51/81/570695181.db2.gz UTFASNMBLZWTHU-GDNBJRDFSA-N -1 1 371.439 3.403 40 10 FGCBMM CCOc1ccc(-n2cccc2/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1 ZINC000034720499 494068155 /nfs/dbraw/zinc/06/81/55/494068155.db2.gz LKZBGOXQVZPERP-HKWRFOASSA-N -1 1 373.412 3.337 40 10 FGCBMM CCN1c2ccc(C=C3C(=O)[N-]C(=S)N(C)C3=O)cc2[C@H](C)CC1(C)C ZINC000208301679 496975446 /nfs/dbraw/zinc/97/54/46/496975446.db2.gz OGBXNIYVKGNALP-JXCQQFQQSA-N -1 1 371.506 3.055 40 10 FGCBMM CC(=O)Nc1ccc(-n2c(C)cc(C=C3SC(=O)[N-]C3=O)c2C)cc1 ZINC000408810018 499595086 /nfs/dbraw/zinc/59/50/86/499595086.db2.gz IFZJMCISBLHRBV-SXGWCWSVSA-N -1 1 355.419 3.376 40 10 FGCBMM COc1ccc(C=C2SC(=S)[N-]C2=O)cc1OC(=O)c1ccccc1 ZINC000408888577 263504351 /nfs/dbraw/zinc/50/43/51/263504351.db2.gz XKCLOPWNOXQVJX-GDNBJRDFSA-N -1 1 371.439 3.403 40 10 FGCBMM CCOC(=O)c1ccc(-n2c(C)cc([C@@H]3NC[C@@H](C(=O)[O-])S3)c2C)cc1 ZINC000408980393 570707790 /nfs/dbraw/zinc/70/77/90/570707790.db2.gz WHHIQDUYCYGVDC-DLBZAZTESA-N -1 1 374.462 3.059 40 10 FGCBMM CCOC(=O)c1ccc(-n2c(C)cc([C@@H]3NC[C@H](C(=O)[O-])S3)c2C)cc1 ZINC000408980396 570707904 /nfs/dbraw/zinc/70/79/04/570707904.db2.gz WHHIQDUYCYGVDC-IAGOWNOFSA-N -1 1 374.462 3.059 40 10 FGCBMM O=C1/C(=C/c2ccc([O-])c(Cl)c2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409081621 570719695 /nfs/dbraw/zinc/71/96/95/570719695.db2.gz QMWIIMZDXXLPQF-BNDQCTAISA-N -1 1 355.868 3.426 40 10 FGCBMM O=C1NC(=O)C(=Cc2c(Cc3ccccc3F)ccc3ccccc32)C(=O)N1 ZINC000408867917 570693868 /nfs/dbraw/zinc/69/38/68/570693868.db2.gz KQVBJYIBEJBLRY-UHFFFAOYSA-N -1 1 374.371 3.319 40 10 FGCBMM O=C1[N-]C(=O)/C(=C\c2c(Cc3ccccc3F)ccc3ccccc32)C(=O)N1 ZINC000408867917 570693873 /nfs/dbraw/zinc/69/38/73/570693873.db2.gz KQVBJYIBEJBLRY-UHFFFAOYSA-N -1 1 374.371 3.319 40 10 FGCBMM O=C1[N-]C(=O)/C(=C/c2c(Cc3ccccc3F)ccc3ccccc32)C(=O)N1 ZINC000408867917 570693875 /nfs/dbraw/zinc/69/38/75/570693875.db2.gz KQVBJYIBEJBLRY-UHFFFAOYSA-N -1 1 374.371 3.319 40 10 FGCBMM Cc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000001279533 493791244 /nfs/dbraw/zinc/79/12/44/493791244.db2.gz AFBUHRCNZRSENG-OQLLNIDSSA-N -1 1 357.410 3.330 40 10 FGCBMM CCOC(=O)Cn1c(C)c(C=C2SC(=S)[N-]C2=O)c2ccccc21 ZINC000408816027 499595189 /nfs/dbraw/zinc/59/51/89/499595189.db2.gz KGAQPOCPSZVJEI-ZSOIEALJSA-N -1 1 360.460 3.002 40 10 FGCBMM CC(=O)Oc1ccc2ccccc2c1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O ZINC000107931630 494624329 /nfs/dbraw/zinc/62/43/29/494624329.db2.gz CXMDNVXKDIFMAB-UYRXBGFRSA-N -1 1 372.380 3.227 40 10 FGCBMM Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1cc(C)ccn1 ZINC000033720648 494063056 /nfs/dbraw/zinc/06/30/56/494063056.db2.gz UNAPGLCJPSWICP-UYRXBGFRSA-N -1 1 372.428 3.259 40 10 FGCBMM Cc1ccc(Sc2ccc(C=C3C(=O)[N-]C(=S)NC3=O)cc2)cc1 ZINC000409233630 570744425 /nfs/dbraw/zinc/74/44/25/570744425.db2.gz LKULUOQFLRXLLW-UHFFFAOYSA-N -1 1 354.456 3.061 40 10 FGCBMM COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCc1ccncc1 ZINC000409343537 570751215 /nfs/dbraw/zinc/75/12/15/570751215.db2.gz HPDLXWAIHBNIOV-DHDCSXOGSA-N -1 1 358.444 3.158 40 10 FGCBMM COc1ccccc1-c1n[n-]c(=S)n1NCc1ccc(N(C)C)cc1 ZINC000007365453 263350114 /nfs/dbraw/zinc/35/01/14/263350114.db2.gz FLYSCZIPEBOIGL-UHFFFAOYSA-N -1 1 355.467 3.426 40 10 FGCBMM COc1cccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1OC(C)(C)C ZINC000107851087 494611800 /nfs/dbraw/zinc/61/18/00/494611800.db2.gz RYCWUEJQJJQBLI-DTQAZKPQSA-N -1 1 366.417 3.334 40 10 FGCBMM Cc1ccc(N2[N-]C(=O)/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1Cl ZINC000006267374 210664724 /nfs/dbraw/zinc/66/47/24/210664724.db2.gz BVRQVFJJPMFOLC-MHWRWJLKSA-N -1 1 355.825 3.176 40 10 FGCBMM CCN1C(=O)/C(=C/c2cccn2-c2ccc(C)c(Cl)c2)C(=O)[N-]C1=S ZINC000409393449 570756246 /nfs/dbraw/zinc/75/62/46/570756246.db2.gz XKYYLKITUHRSLL-NTEUORMPSA-N -1 1 373.865 3.086 40 10 FGCBMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(O)c3ccccc23)ccc1F ZINC000226862692 497086349 /nfs/dbraw/zinc/08/63/49/497086349.db2.gz GWFFOXMIEFJBQU-UHFFFAOYSA-N -1 1 362.338 3.394 40 10 FGCBMM Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1ccc(C)cn1 ZINC000035085154 494071926 /nfs/dbraw/zinc/07/19/26/494071926.db2.gz ZSPPMJLPPRZMRC-UNOMPAQXSA-N -1 1 372.428 3.259 40 10 FGCBMM C#CCn1c(C)c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc21 ZINC000107837535 494610726 /nfs/dbraw/zinc/61/07/26/494610726.db2.gz DOOWWFDFQLJGQG-RGEXLXHISA-N -1 1 355.397 3.044 40 10 FGCBMM COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(C=C2SC(=O)[N-]C2=O)c1C ZINC000408817468 499595215 /nfs/dbraw/zinc/59/52/15/499595215.db2.gz WJIHYOTUPSYZMQ-CHHVJCJISA-N -1 1 373.390 3.335 40 10 FGCBMM CC(C)Oc1cc(N(C)C)ccc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O ZINC000033626891 494062125 /nfs/dbraw/zinc/06/21/25/494062125.db2.gz IKVXMBXNRUCQEI-PDGQHHTCSA-N -1 1 365.433 3.001 40 10 FGCBMM COC(=O)c1ccccc1-n1c(C)cc(C=C2SC(=S)[N-]C2=O)c1C ZINC000408993958 499595588 /nfs/dbraw/zinc/59/55/88/499595588.db2.gz DWODAHVMJKRUBM-DHDCSXOGSA-N -1 1 372.471 3.370 40 10 FGCBMM Cc1cc(N2CCCCC2)ccc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O ZINC000033626833 494061938 /nfs/dbraw/zinc/06/19/38/494061938.db2.gz HINPPMUEWWMRFA-HKWRFOASSA-N -1 1 361.445 3.447 40 10 FGCBMM CCOC(=O)c1ccc(-n2c(C)cc([C@H]3NC[C@@H](C(=O)[O-])S3)c2C)cc1 ZINC000408980397 570707911 /nfs/dbraw/zinc/70/79/11/570707911.db2.gz WHHIQDUYCYGVDC-IRXDYDNUSA-N -1 1 374.462 3.059 40 10 FGCBMM