smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408997002 534144751 /nfs/dbraw/zinc/14/47/51/534144751.db2.gz FWNCZSWSOWMQRN-UHFFFAOYSA-N -1 1 387.779 2.195 40 10 GECBMM O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000408875219 231124205 /nfs/dbraw/zinc/12/42/05/231124205.db2.gz HMNBPWCBFRNXEG-UHFFFAOYSA-N -1 1 383.385 2.088 40 10 GECBMM C[C@H](Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccccc2)C1=O)C(=O)[O-] ZINC000409190571 231177575 /nfs/dbraw/zinc/17/75/75/231177575.db2.gz SITCOOFUJHMYBX-YGRGUWMTSA-N -1 1 396.424 2.370 40 10 GECBMM CN1C(=O)/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C(=O)[N-]C1=S ZINC000408915816 530039824 /nfs/dbraw/zinc/03/98/24/530039824.db2.gz ZKYHHDHKUHCMQG-XNTDXEJSSA-N -1 1 397.412 2.430 40 10 GECBMM CCOc1cc(C=C2C(=O)[N-]C(=S)N(CC)C2=O)c(Br)cc1O ZINC000409390998 528197841 /nfs/dbraw/zinc/19/78/41/528197841.db2.gz GPXBKGGGQCNZCN-WEVVVXLNSA-N -1 1 399.266 2.200 40 10 GECBMM Cc1ccc(N2C(=O)/C(=C/c3ccc([O-])c([N+](=O)[O-])c3)C(=O)NC2=S)cc1 ZINC000408905121 231128704 /nfs/dbraw/zinc/12/87/04/231128704.db2.gz TZGYHUNHBAWDTP-MDWZMJQESA-N -1 1 383.385 2.440 40 10 GECBMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1N1CCCC1=O ZINC000022528570 570320403 /nfs/dbraw/zinc/32/04/03/570320403.db2.gz YCXNDEFMXPNSEG-UHFFFAOYSA-N -1 1 390.417 2.352 40 10 GECBMM COC(=O)c1cccc(-c2ccc(C=C3C(=O)[N-]C(=S)N(C)C3=O)o2)c1C ZINC000408915152 534251159 /nfs/dbraw/zinc/25/11/59/534251159.db2.gz VLQPJNUFKKDFEH-NTEUORMPSA-N -1 1 384.413 2.298 40 10 GECBMM O=C([O-])c1cccc(NC=C2C(=O)NC(=O)N(CCc3ccccc3)C2=O)c1 ZINC000408535382 534549197 /nfs/dbraw/zinc/54/91/97/534549197.db2.gz SNBBCLYSBBHHNG-FOWTUZBSSA-N -1 1 379.372 2.002 40 10 GECBMM CCOc1ccc(C=C2C(=O)[N-]C(=S)N(CC)C2=O)cc1Br ZINC000409390497 528369092 /nfs/dbraw/zinc/36/90/92/528369092.db2.gz DKKBZUUUUJHIGS-JXMROGBWSA-N -1 1 383.267 2.494 40 10 GECBMM COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)c(OCc2ccc(F)cc2)c1 ZINC000408869771 533433892 /nfs/dbraw/zinc/43/38/92/533433892.db2.gz TZALLLUSOHHDGE-UHFFFAOYSA-N -1 1 386.404 2.328 40 10 GECBMM Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000408993159 570691517 /nfs/dbraw/zinc/69/15/17/570691517.db2.gz CLGPZCRIRIJIFU-UHFFFAOYSA-N -1 1 384.417 2.225 40 10 GECBMM CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Br)c1OCC ZINC000096193611 531934086 /nfs/dbraw/zinc/93/40/86/531934086.db2.gz FMUJTCOUKZVIAQ-UHFFFAOYSA-N -1 1 399.266 2.161 40 10 GECBMM COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Br)c1OC(C)C ZINC000006762710 204201990 /nfs/dbraw/zinc/20/19/90/204201990.db2.gz IFDIVRBSVBXMNH-UHFFFAOYSA-N -1 1 399.266 2.159 40 10 GECBMM COC(=O)c1cc(-c2ccc(C=C3C(=O)[N-]C(=S)NC3=O)o2)ccc1Cl ZINC000069593665 205277252 /nfs/dbraw/zinc/27/72/52/205277252.db2.gz VTIILQJXSWPUGD-UHFFFAOYSA-N -1 1 390.804 2.301 40 10 GECBMM COC(=O)COc1ccc(C=C2SC(=S)[N-]C2=O)cc1Br ZINC000409327305 533554587 /nfs/dbraw/zinc/55/45/87/533554587.db2.gz JAEFRGFQYRFQSJ-YHYXMXQVSA-N -1 1 388.264 2.490 40 10 GECBMM COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=S)NC3=O)c2C)c(C)c1 ZINC000408993494 570691952 /nfs/dbraw/zinc/69/19/52/570691952.db2.gz DMCOQAFTHUABOI-UHFFFAOYSA-N -1 1 397.456 2.103 40 10 GECBMM COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCc1cccc(C)c1 ZINC000113834846 533717511 /nfs/dbraw/zinc/71/75/11/533717511.db2.gz LWVYJOOOMDOXQW-UHFFFAOYSA-N -1 1 382.441 2.497 40 10 GECBMM COc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccc3[nH]c(C)nc3c2)C1=O ZINC000408533502 534129293 /nfs/dbraw/zinc/12/92/93/534129293.db2.gz SSDPFUUDAKYMAT-JLHYYAGUSA-N -1 1 391.387 2.459 40 10 GECBMM Cc1cc(=O)n2c(n1)NC(N1CCOCC1)=[NH+][C@H]2c1c(O)ccc2ccccc21 ZINC000104279869 570300570 /nfs/dbraw/zinc/30/05/70/570300570.db2.gz BYHKGJVLAFKMAQ-LJQANCHMSA-N -1 1 391.431 2.071 40 10 GECBMM O=C1[N-]C(=S)S/C1=C/c1cc(Br)c(N2CCOCC2)o1 ZINC000059678284 570660905 /nfs/dbraw/zinc/66/09/05/570660905.db2.gz HXTGHWPGJXULGA-RMKNXTFCSA-N -1 1 375.269 2.368 40 10 GECBMM CCOc1cc(Br)c(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc1OC ZINC000408914933 528201580 /nfs/dbraw/zinc/20/15/80/528201580.db2.gz RWCXGXASZZPBKS-WEVVVXLNSA-N -1 1 399.266 2.113 40 10 GECBMM COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)c(OCc2cccc(C)c2)c1 ZINC000408873448 533434218 /nfs/dbraw/zinc/43/42/18/533434218.db2.gz RQNNPTGJMKHCBP-UHFFFAOYSA-N -1 1 382.441 2.497 40 10 GECBMM COc1ccc(N2C(=O)/C(=C/c3ccc([O-])c([N+](=O)[O-])c3)C(=O)NC2=S)cc1 ZINC000408962336 533994066 /nfs/dbraw/zinc/99/40/66/533994066.db2.gz HMWYWWBGTMCICD-MDWZMJQESA-N -1 1 399.384 2.140 40 10 GECBMM COC(=O)c1ccc(C)c(-n2c(C)cc(C=C3C(=O)[N-]C(=S)NC3=O)c2C)c1 ZINC000408997637 534050262 /nfs/dbraw/zinc/05/02/62/534050262.db2.gz SEFWGZJPBXOZIC-UHFFFAOYSA-N -1 1 397.456 2.103 40 10 GECBMM COc1cc(/C=C2/C(=O)[N-]N(c3cccc(Cl)c3)C2=O)cc([N+](=O)[O-])c1O ZINC000035973940 570559151 /nfs/dbraw/zinc/55/91/51/570559151.db2.gz SRXFPIJCISVZRP-XGICHPGQSA-N -1 1 389.751 2.424 40 10 GECBMM COC(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]C(=S)NC3=O)o2)cc1Cl ZINC000408997519 533943564 /nfs/dbraw/zinc/94/35/64/533943564.db2.gz GYDSWJZFORVQRH-UHFFFAOYSA-N -1 1 390.804 2.301 40 10 GECBMM O=C(Oc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1)c1cccc(Cl)c1 ZINC000408764289 534567517 /nfs/dbraw/zinc/56/75/17/534567517.db2.gz SUBFVACZRXCOFW-UHFFFAOYSA-N -1 1 386.816 2.474 40 10 GECBMM Cc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000002366097 570284735 /nfs/dbraw/zinc/28/47/35/570284735.db2.gz PHYVTMXRRAAXLG-GZTJUZNOSA-N -1 1 382.489 2.417 40 10 GECBMM Cc1cc(=O)n2c(n1)NC(N1CCOCC1)=[NH+][C@@H]2c1c(O)ccc2ccccc21 ZINC000104279863 570300635 /nfs/dbraw/zinc/30/06/35/570300635.db2.gz BYHKGJVLAFKMAQ-IBGZPJMESA-N -1 1 391.431 2.071 40 10 GECBMM CC(C)Oc1ccc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc1Br ZINC000408913020 528131317 /nfs/dbraw/zinc/13/13/17/528131317.db2.gz JQJBWBKKOZYCDF-UXBLZVDNSA-N -1 1 383.267 2.493 40 10 GECBMM O=C1[N-]C(=S)NC(=O)C1=Cc1ccccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408869320 231123271 /nfs/dbraw/zinc/12/32/71/231123271.db2.gz BUEWGWOPVYUHQU-UHFFFAOYSA-N -1 1 383.385 2.088 40 10 GECBMM COC(=O)c1ccc(Cl)c(-c2ccc(C=C3C(=O)[N-]C(=S)NC3=O)o2)c1 ZINC000409000068 534155952 /nfs/dbraw/zinc/15/59/52/534155952.db2.gz WYHXVCSJHKUERM-UHFFFAOYSA-N -1 1 390.804 2.301 40 10 GECBMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1C(=O)NC(C)C ZINC000026112217 570449758 /nfs/dbraw/zinc/44/97/58/570449758.db2.gz JVMLZGBURHKXHG-UHFFFAOYSA-N -1 1 392.433 2.363 40 10 GECBMM CCN1C(=O)/C(=C\c2ccc(N(C)C)c(Br)c2)C(=O)[N-]C1=S ZINC000409391745 528944865 /nfs/dbraw/zinc/94/48/65/528944865.db2.gz LBJGOJIZHUPATD-YFHOEESVSA-N -1 1 382.283 2.162 40 10 GECBMM COc1c(Cl)cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc1Br ZINC000001097004 570714692 /nfs/dbraw/zinc/71/46/92/570714692.db2.gz CXKUZIXZVNYVCB-XVNBXDOJSA-N -1 1 389.658 2.368 40 10 GECBMM Cc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000409003407 534143963 /nfs/dbraw/zinc/14/39/63/534143963.db2.gz ZZSBOVNKYYGERQ-UHFFFAOYSA-N -1 1 388.767 2.405 40 10 GECBMM Cc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000409003407 534143967 /nfs/dbraw/zinc/14/39/67/534143967.db2.gz ZZSBOVNKYYGERQ-UHFFFAOYSA-N -1 1 388.767 2.405 40 10 GECBMM CN1C(=O)/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C(=O)[N-]C1=S ZINC000408912511 530039847 /nfs/dbraw/zinc/03/98/47/530039847.db2.gz HTCVTVWCWHIUJW-NTEUORMPSA-N -1 1 397.412 2.430 40 10 GECBMM Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)[O-])cc3)C(=O)NC2=S)cc1 ZINC000408991822 570690553 /nfs/dbraw/zinc/69/05/53/570690553.db2.gz RAQQISLFIMZTHH-MHWRWJLKSA-N -1 1 396.424 2.290 40 10 GECBMM CCOc1c(Br)cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc1OC ZINC000408917120 528165967 /nfs/dbraw/zinc/16/59/67/528165967.db2.gz MZXATDIZGGOSHD-WEVVVXLNSA-N -1 1 399.266 2.113 40 10 GECBMM C[C@@H](Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccccc2)C1=O)C(=O)[O-] ZINC000409190570 533961994 /nfs/dbraw/zinc/96/19/94/533961994.db2.gz SITCOOFUJHMYBX-PKVLTRFUSA-N -1 1 396.424 2.370 40 10 GECBMM Cc1ccccc1N1C(=O)/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C(=O)NC1=S ZINC000408964380 534821113 /nfs/dbraw/zinc/82/11/13/534821113.db2.gz RFCWEGJJXILDCN-XYOKQWHBSA-N -1 1 383.385 2.440 40 10 GECBMM CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OC(=O)c1ccccc1 ZINC000408888233 528256239 /nfs/dbraw/zinc/25/62/39/528256239.db2.gz UETOOYVRKXTRDO-UHFFFAOYSA-N -1 1 396.424 2.219 40 10 GECBMM O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(Sc2ccccn2)c([N+](=O)[O-])c1 ZINC000408989861 570689675 /nfs/dbraw/zinc/68/96/75/570689675.db2.gz JEFDPACSEYDCDH-UHFFFAOYSA-N -1 1 386.414 2.055 40 10 GECBMM O=C(COc1ccc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1Cl)Nc1ccccc1 ZINC000409049167 231151617 /nfs/dbraw/zinc/15/16/17/231151617.db2.gz VFMGMZMQXYORSC-UHFFFAOYSA-N -1 1 399.790 2.107 40 10 GECBMM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1Cl)Nc1ccccc1 ZINC000409049167 231151621 /nfs/dbraw/zinc/15/16/21/231151621.db2.gz VFMGMZMQXYORSC-UHFFFAOYSA-N -1 1 399.790 2.107 40 10 GECBMM Cc1n[nH]c(SC(=Cc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)[O-])n1 ZINC000409191187 534523715 /nfs/dbraw/zinc/52/37/15/534523715.db2.gz DCDXADNKHRWGET-NTEUORMPSA-N -1 1 391.409 2.076 40 10 GECBMM Cc1nc(SC(=Cc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)[O-])n[nH]1 ZINC000409191187 534523722 /nfs/dbraw/zinc/52/37/22/534523722.db2.gz DCDXADNKHRWGET-NTEUORMPSA-N -1 1 391.409 2.076 40 10 GECBMM CCN1C(=O)/C(=C/c2ccc(-c3ccccc3C(=O)OC)o2)C(=O)[N-]C1=S ZINC000409389791 528943263 /nfs/dbraw/zinc/94/32/63/528943263.db2.gz AIOVXNHVRWIBCF-GXDHUFHOSA-N -1 1 384.413 2.380 40 10 GECBMM CCOC(=O)c1ccc(N2[N-]C(=O)/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000059475182 570657862 /nfs/dbraw/zinc/65/78/62/570657862.db2.gz SCDXUKYJXTYZAM-QGOAFFKASA-N -1 1 379.416 2.391 40 10 GECBMM Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000408994773 231143662 /nfs/dbraw/zinc/14/36/62/231143662.db2.gz IYWLUDKGSFFFCN-NVNXTCNLSA-N -1 1 381.388 2.192 40 10 GECBMM O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(OCc2nc3ccccc3[nH]2)cc1 ZINC000408760227 570469688 /nfs/dbraw/zinc/46/96/88/570469688.db2.gz UTODLOXOUAMXEB-UHFFFAOYSA-N -1 1 378.413 2.056 40 10 GECBMM COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCc1ccc(C)cc1 ZINC000059305915 570655133 /nfs/dbraw/zinc/65/51/33/570655133.db2.gz HWNZDVHXMMQXCR-UHFFFAOYSA-N -1 1 382.441 2.497 40 10 GECBMM O=C1[N-]C(=S)NC(=O)C1=Cc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000005428617 570733135 /nfs/dbraw/zinc/73/31/35/570733135.db2.gz FFLZEALBTJUCOK-UHFFFAOYSA-N -1 1 383.385 2.088 40 10 GECBMM Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C ZINC000409002462 231145351 /nfs/dbraw/zinc/14/53/51/231145351.db2.gz ZZYVGERBTWQBRP-DHDCSXOGSA-N -1 1 381.388 2.192 40 10 GECBMM COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)c(OCc2ccccc2F)c1 ZINC000408892475 533433362 /nfs/dbraw/zinc/43/33/62/533433362.db2.gz BUUSDLMAGODEQH-UHFFFAOYSA-N -1 1 386.404 2.328 40 10 GECBMM Cc1cccc(N2C(=O)/C(=C/c3ccc([O-])c([N+](=O)[O-])c3)C(=O)NC2=S)c1 ZINC000408961780 231135763 /nfs/dbraw/zinc/13/57/63/231135763.db2.gz DZPQRQJMLSCVRY-MDWZMJQESA-N -1 1 383.385 2.440 40 10 GECBMM CN1C(=O)/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)[N-]C1=S ZINC000408919070 530039611 /nfs/dbraw/zinc/03/96/11/530039611.db2.gz SIKFUQIXRZLCAP-XNTDXEJSSA-N -1 1 397.412 2.430 40 10 GECBMM CN1C(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)[N-]C1=S ZINC000408913635 530039627 /nfs/dbraw/zinc/03/96/27/530039627.db2.gz VTYSYEWPHVLSFF-MHWRWJLKSA-N -1 1 397.412 2.430 40 10 GECBMM COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)c(OCc2cccc(F)c2)c1 ZINC000408894562 533434336 /nfs/dbraw/zinc/43/43/36/533434336.db2.gz IPVLFMJFLHUFIO-UHFFFAOYSA-N -1 1 386.404 2.328 40 10 GECBMM COC(=O)COc1ccc(Br)cc1C=C1SC(=S)[N-]C1=O ZINC000409341346 533554865 /nfs/dbraw/zinc/55/48/65/533554865.db2.gz BEOJKHWYEBPSJL-YHYXMXQVSA-N -1 1 388.264 2.490 40 10 GECBMM CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C(=O)[N-]C1=S ZINC000409392060 528943515 /nfs/dbraw/zinc/94/35/15/528943515.db2.gz NQFVNMMGUIDPOP-OVCLIPMQSA-N -1 1 397.456 2.469 40 10 GECBMM CCOc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(Br)cc1OC ZINC000408913492 528196422 /nfs/dbraw/zinc/19/64/22/528196422.db2.gz LKCZGDJXYXOGJD-WEVVVXLNSA-N -1 1 399.266 2.113 40 10 GECBMM COc1ccc(N2CCN(C(=O)c3cnc(-c4ccccc4)[n-]c3=O)CC2)cc1 ZINC000019937291 570231890 /nfs/dbraw/zinc/23/18/90/570231890.db2.gz IDNQTCKWUBODCJ-UHFFFAOYSA-N -1 1 390.443 2.408 40 10 GECBMM CCNc1nc(NCC)[n-]c(=NNC(=S)Nc2ccc(OCC)cc2)n1 ZINC000004063930 570966156 /nfs/dbraw/zinc/96/61/56/570966156.db2.gz PJYNIBOJDHKFRE-UHFFFAOYSA-N -1 1 376.490 2.447 40 10 GECBMM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc([N+](=O)[O-])c1O ZINC000408739985 533473166 /nfs/dbraw/zinc/47/31/66/533473166.db2.gz HGZZHZRLDRSGAN-NTUHNPAUSA-N -1 1 397.343 2.284 40 10 GECBMM O=C(CSc1nccc(=O)[n-]1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000006446873 570480164 /nfs/dbraw/zinc/48/01/64/570480164.db2.gz SKGQDKNXILQSBR-UHFFFAOYSA-N -1 1 391.408 2.276 40 10 GECBMM Cc1ccc(NC(=O)c2c[n-]n3c2nc(CCCN2CCOCC2)cc3=O)cc1 ZINC000019210696 570960579 /nfs/dbraw/zinc/96/05/79/570960579.db2.gz PVBYCYBKGLQZBA-UHFFFAOYSA-N -1 1 395.463 2.260 40 10 GECBMM O=C(COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)NC1=O)Nc1ccccc1 ZINC000409046083 231150337 /nfs/dbraw/zinc/15/03/37/231150337.db2.gz IPENRHTVLLMKFG-UHFFFAOYSA-N -1 1 399.790 2.107 40 10 GECBMM O=C(COc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)NC1=O)Nc1ccccc1 ZINC000409046083 231150341 /nfs/dbraw/zinc/15/03/41/231150341.db2.gz IPENRHTVLLMKFG-UHFFFAOYSA-N -1 1 399.790 2.107 40 10 GECBMM Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1cc(C(=O)[O-])ccc1Cl ZINC000409002661 534143152 /nfs/dbraw/zinc/14/31/52/534143152.db2.gz WBBZPWKKPPSWQA-UHFFFAOYSA-N -1 1 387.779 2.195 40 10 GECBMM O=C(Oc1ccccc1C=C1C(=O)[N-]C(=S)NC1=O)c1ccc(Cl)cc1 ZINC000408925665 534569749 /nfs/dbraw/zinc/56/97/49/534569749.db2.gz SQJAWWOHAGREPY-UHFFFAOYSA-N -1 1 386.816 2.474 40 10 GECBMM O=C1[N-]C(=S)NC(=O)C1=Cc1c(O)ccc2cc(Br)ccc21 ZINC000013107534 221261408 /nfs/dbraw/zinc/26/14/08/221261408.db2.gz SLAFNQXBJCACLN-UHFFFAOYSA-N -1 1 377.219 2.222 40 10 GECBMM COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)c(OCc2ccc(C)cc2)c1 ZINC000408876459 533433810 /nfs/dbraw/zinc/43/38/10/533433810.db2.gz LKVJMKHDRJTOCK-UHFFFAOYSA-N -1 1 382.441 2.497 40 10 GECBMM COC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)[N-]C(=S)NC3=O)c2C)c1C ZINC000408998095 534252893 /nfs/dbraw/zinc/25/28/93/534252893.db2.gz SYCZMBYNMOAEON-UHFFFAOYSA-N -1 1 397.456 2.103 40 10 GECBMM CN1C(=O)/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C(=O)[N-]C1=S ZINC000408910421 530039735 /nfs/dbraw/zinc/03/97/35/530039735.db2.gz KFJWQIGKTOIFQK-MHWRWJLKSA-N -1 1 397.412 2.430 40 10 GECBMM