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\c1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000013802243 210092671 /nfs/dbraw/zinc/09/26/71/210092671.db2.gz UBTMRWUYUZADRO-MFOYZWKCSA-N -1 1 384.913 4.832 50 10 GJCAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(Cl)c(C(=O)OC(C)C)c1 ZINC000005576122 204141923 /nfs/dbraw/zinc/14/19/23/204141923.db2.gz SYIGDOUWIRGPEQ-PDGQHHTCSA-N -1 1 397.862 4.624 50 10 GJCAMM CCN1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Cl)cc(Cl)c2[O-])N3)C1 ZINC000004556423 570883097 /nfs/dbraw/zinc/88/30/97/570883097.db2.gz KFXLEDWFTFXUQB-OAHLLOKOSA-N -1 1 398.315 4.567 50 10 GJCAMM O=C1[N-]C(=S)S/C1=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1 ZINC000001095907 209299786 /nfs/dbraw/zinc/29/97/86/209299786.db2.gz ZVERSDWSMSUDNZ-OVCLIPMQSA-N -1 1 379.865 4.547 50 10 GJCAMM O=C1/C(=C/c2ccc([O-])c(Cl)c2)SC(=S)N1CCCc1ccccc1 ZINC000001138298 570247465 /nfs/dbraw/zinc/24/74/65/570247465.db2.gz XUWXISZSQCDUCX-ATVHPVEESA-N -1 1 389.929 4.880 50 10 GJCAMM CC(=O)c1cc(F)cc(CN(CCc2ccccn2)Cc2ccc(F)cc2)c1O ZINC000072312084 570306377 /nfs/dbraw/zinc/30/63/77/570306377.db2.gz RRAKYNJKVZUVID-UHFFFAOYSA-N -1 1 396.437 4.513 50 10 GJCAMM Cc1c(C=C2SC(=S)[N-]C2=O)c2ccccc2n1Cc1ccc(F)cc1 ZINC000004663282 570812019 /nfs/dbraw/zinc/81/20/19/570812019.db2.gz SZDZWEAPRYTBDH-ZDLGFXPLSA-N -1 1 382.485 4.626 50 10 GJCAMM CCCCOC(=O)c1ccc(N=Cc2c(C)[n-]n(-c3ccc(C)cc3)c2=O)cc1 ZINC000095471468 211245963 /nfs/dbraw/zinc/24/59/63/211245963.db2.gz PLMFRIZBXBRKMI-QNGOZBTKSA-N -1 1 391.471 4.670 50 10 GJCAMM CCN(CC)S(=O)(=O)c1cccc(/N=N/c2cc([O-])cc3ccccc32)c1 ZINC000100846338 570776262 /nfs/dbraw/zinc/77/62/62/570776262.db2.gz ASVWKZLOGHOXBO-QURGRASLSA-N -1 1 383.473 4.991 50 10 GJCAMM COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=O)[N-]C2=S)cc1 ZINC000002439667 209363443 /nfs/dbraw/zinc/36/34/43/209363443.db2.gz MJGRXGYXUCMZLH-GZTJUZNOSA-N -1 1 393.493 4.673 50 10 GJCAMM Cc1cccc(C)c1OCCCOc1ccc(C=C2SC(=S)[N-]C2=O)cc1 ZINC000004755096 570403127 /nfs/dbraw/zinc/40/31/27/570403127.db2.gz LYTLXUASFMBCDY-QGOAFFKASA-N -1 1 399.537 4.640 50 10 GJCAMM Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000015911567 570404840 /nfs/dbraw/zinc/40/48/40/570404840.db2.gz KQWWSRSQBFYZRG-QPEQYQDCSA-N -1 1 383.325 4.890 50 10 GJCAMM O=C1[N-]C(=S)S/C1=C/c1ccc(OCc2cccc3ccccc32)cc1 ZINC000001216276 570814531 /nfs/dbraw/zinc/81/45/31/570814531.db2.gz MKEPCBKAUSRHCQ-XDHOZWIPSA-N -1 1 377.490 4.908 50 10 GJCAMM Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000001195738 570257435 /nfs/dbraw/zinc/25/74/35/570257435.db2.gz ZYMOKNLVUCEJSA-MKMNVTDBSA-N -1 1 383.325 4.890 50 10 GJCAMM Cc1ccc(OCCCOc2cccc(C=C3SC(=S)[N-]C3=O)c2)cc1C ZINC000004755128 570403078 /nfs/dbraw/zinc/40/30/78/570403078.db2.gz ZUPZMTUUGMAINF-CPNJWEJPSA-N -1 1 399.537 4.640 50 10 GJCAMM CCc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)[N-]C2=O)cc1 ZINC000012616801 570691105 /nfs/dbraw/zinc/69/11/05/570691105.db2.gz FCCVFVFNEOWXSY-PDGQHHTCSA-N -1 1 391.521 4.591 50 10 GJCAMM O=C1[N-]C(=S)S/C1=C\c1ccccc1OCc1cccc2ccccc21 ZINC000002772255 209383317 /nfs/dbraw/zinc/38/33/17/209383317.db2.gz ZYUCPSFLJIQNBA-UNOMPAQXSA-N -1 1 377.490 4.908 50 10 GJCAMM O=C(CSc1nc2ccccc2nc1-c1ccccc1)c1ccc([O-])c(O)c1 ZINC000334163089 209178420 /nfs/dbraw/zinc/17/84/20/209178420.db2.gz LITFYRUWLGDIMP-UHFFFAOYSA-N -1 1 388.448 4.683 50 10 GJCAMM Cc1cc(Br)c(-c2ccc(C=C3SC(=S)[N-]C3=O)o2)cc1C ZINC000001203064 570257812 /nfs/dbraw/zinc/25/78/12/570257812.db2.gz OYDSBVQGRSHFQU-VGOFMYFVSA-N -1 1 394.315 4.815 50 10 GJCAMM Cc1nc2cc(NC=C3C(C)=NN(c4cccc5ccccc54)C3=O)ccc2[nH]1 ZINC000101128815 570815729 /nfs/dbraw/zinc/81/57/29/570815729.db2.gz XTMMZHZXHRZASG-CPNJWEJPSA-N -1 1 381.439 4.743 50 10 GJCAMM O=C1[N-]C(=S)S/C1=C\c1ccc(-c2ccccc2Br)s1 ZINC000012778775 571031797 /nfs/dbraw/zinc/03/17/97/571031797.db2.gz YAZSHXFEBSXXMU-GHXNOFRVSA-N -1 1 382.329 4.666 50 10 GJCAMM Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000014011288 210098848 /nfs/dbraw/zinc/09/88/48/210098848.db2.gz ZYMOKNLVUCEJSA-NSIKDUERSA-N -1 1 383.325 4.890 50 10 GJCAMM CN(C)Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc21 ZINC000019791511 210295643 /nfs/dbraw/zinc/29/56/43/210295643.db2.gz YKOKWJNZHIUVPU-UHFFFAOYSA-N -1 1 397.780 4.899 50 10 GJCAMM O=C1[N-]C(=S)S/C1=C\c1ccc(OCc2cccc3ccccc32)cc1 ZINC000001216278 570258857 /nfs/dbraw/zinc/25/88/57/570258857.db2.gz MKEPCBKAUSRHCQ-UNOMPAQXSA-N -1 1 377.490 4.908 50 10 GJCAMM Cc1ccccc1COc1ccc(Cl)cc1C=C1SC(=S)[N-]C1=O ZINC000013895436 570799592 /nfs/dbraw/zinc/79/95/92/570799592.db2.gz GPSHLSVDVYQVHJ-SXGWCWSVSA-N -1 1 375.902 4.716 50 10 GJCAMM CCOc1ccc2nc(N3CCCCC3)c(C=C3SC(=S)[N-]C3=O)cc2c1 ZINC000001250342 209317407 /nfs/dbraw/zinc/31/74/07/209317407.db2.gz MADPIPDDXCQWLI-ATVHPVEESA-N -1 1 399.541 4.524 50 10 GJCAMM Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1ccccc1Br ZINC000005442711 204131465 /nfs/dbraw/zinc/13/14/65/204131465.db2.gz JTFJFNKOFYFORO-RVDMUPIBSA-N -1 1 384.277 4.784 50 10 GJCAMM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccccc1Br ZINC000005518597 204137832 /nfs/dbraw/zinc/13/78/32/204137832.db2.gz FKPSYRUYZUUUNZ-LFIBNONCSA-N -1 1 384.277 4.784 50 10 GJCAMM CN(C)Cc1c([O-])ccc2c(=O)c(-c3ccccc3Cl)c(C(F)(F)F)oc21 ZINC000019681938 210282304 /nfs/dbraw/zinc/28/23/04/210282304.db2.gz JWHFEESSGPEHHV-UHFFFAOYSA-N -1 1 397.780 4.899 50 10 biogenic GJCAMM Cc1ccc(OCCCOc2cccc(C=C3SC(=S)[N-]C3=O)c2)c(C)c1 ZINC000002874177 209393945 /nfs/dbraw/zinc/39/39/45/209393945.db2.gz JNQCYBZXOAFMRQ-CPNJWEJPSA-N -1 1 399.537 4.640 50 10 GJCAMM CCc1ccc(OCCCOc2ccccc2C=C2SC(=S)[N-]C2=O)cc1 ZINC000002878516 209393849 /nfs/dbraw/zinc/39/38/49/209393849.db2.gz ZHYBVSHZWTYHKA-XMHGGMMESA-N -1 1 399.537 4.586 50 10 GJCAMM Cc1ccc(N2[N-]C(=O)/C(=C/c3c4ccccc4cc4ccccc43)C2=O)cc1 ZINC000006077337 204164409 /nfs/dbraw/zinc/16/44/09/204164409.db2.gz RYWOTDRXBYJISH-HAHDFKILSA-N -1 1 378.431 4.763 50 10 GJCAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCc1ccc(F)cc1 ZINC000006961308 204227265 /nfs/dbraw/zinc/22/72/65/204227265.db2.gz VXCMACFFTOFAEB-YVLHZVERSA-N -1 1 389.473 4.704 50 10 GJCAMM COc1ccc(N=C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2ccccc2)cc1 ZINC000100210547 570268878 /nfs/dbraw/zinc/26/88/78/570268878.db2.gz AOMQGILKTQZDOO-FCQUAONHSA-N -1 1 383.451 4.941 50 10 GJCAMM CCc1cc2c(=O)c(-c3nc4ccccc4s3)c(C)oc2c(CN(C)C)c1[O-] ZINC000038528033 570579596 /nfs/dbraw/zinc/57/95/96/570579596.db2.gz ADXDZPMECNDKCE-UHFFFAOYSA-N -1 1 394.496 4.708 50 10 GJCAMM Cc1ccc(N2[N-]C(=O)/C(=C\c3c4ccccc4cc4ccccc43)C2=O)cc1 ZINC000000973683 203869504 /nfs/dbraw/zinc/86/95/04/203869504.db2.gz RYWOTDRXBYJISH-HZHRSRAPSA-N -1 1 378.431 4.763 50 10 GJCAMM Cc1nc2cc(NCc3cc([N+](=O)[O-])ccc3[O-])ccc2n1Cc1ccccc1 ZINC000169364949 570780978 /nfs/dbraw/zinc/78/09/78/570780978.db2.gz HSCUDSYIDYCLPT-UHFFFAOYSA-N -1 1 388.427 4.619 50 10 GJCAMM CCc1cc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c(CN(C)C)c1[O-] ZINC000001165778 203893131 /nfs/dbraw/zinc/89/31/31/203893131.db2.gz UTGGEOVXGGMXKL-UHFFFAOYSA-N -1 1 391.389 4.808 50 10 GJCAMM CC(C)c1ccccc1OCCOc1cccc(C=C2SC(=S)[N-]C2=O)c1 ZINC000004680180 204063541 /nfs/dbraw/zinc/06/35/41/204063541.db2.gz AWBOYFPYHVOBPE-UYRXBGFRSA-N -1 1 399.537 4.757 50 10 GJCAMM CCc1ccc(OCCCOc2cccc(C=C3SC(=S)[N-]C3=O)c2)cc1 ZINC000002882549 570316122 /nfs/dbraw/zinc/31/61/22/570316122.db2.gz PTLHXSBBLYAQFE-XMHGGMMESA-N -1 1 399.537 4.586 50 10 GJCAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCc1ccc(C)cc1 ZINC000006961224 570721938 /nfs/dbraw/zinc/72/19/38/570721938.db2.gz RRCZREPQDQDYFO-WQRHYEAKSA-N -1 1 385.510 4.873 50 10 GJCAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(Cl)c(C(=O)OC(C)C)c1 ZINC000103807769 570888984 /nfs/dbraw/zinc/88/89/84/570888984.db2.gz SYIGDOUWIRGPEQ-LDADJPATSA-N -1 1 397.862 4.624 50 10 GJCAMM Cc1cc(C=C2SC(=S)[N-]C2=O)c(-c2ccccc2)n1-c1ccccc1 ZINC000001198376 209312686 /nfs/dbraw/zinc/31/26/86/209312686.db2.gz NUTPCRJEECRYLS-QGOAFFKASA-N -1 1 376.506 4.942 50 10 GJCAMM CC(C)c1ccc(OCCOc2ccccc2C=C2SC(=S)[N-]C2=O)cc1 ZINC000022310337 570312718 /nfs/dbraw/zinc/31/27/18/570312718.db2.gz ONYHHQQCUAZDNP-UYRXBGFRSA-N -1 1 399.537 4.757 50 10 GJCAMM Cc1ccc(C)c(OCCCOc2ccc(C=C3SC(=S)[N-]C3=O)cc2)c1 ZINC000002882572 570316102 /nfs/dbraw/zinc/31/61/02/570316102.db2.gz RPEUYOATNLGDCJ-CPNJWEJPSA-N -1 1 399.537 4.640 50 10 GJCAMM COc1cccc(C=C2SC(=S)[N-]C2=O)c1OCc1ccccc1Cl ZINC000017080045 570940930 /nfs/dbraw/zinc/94/09/30/570940930.db2.gz NREQLQQFKAWEDP-DHDCSXOGSA-N -1 1 391.901 4.828 50 10 GJCAMM Cc1ccc(SCCOc2ccc(C=C3SC(=S)[N-]C3=O)cc2)cc1 ZINC000016183097 210187325 /nfs/dbraw/zinc/18/73/25/210187325.db2.gz KRMQZHAPCXKKLZ-ATVHPVEESA-N -1 1 387.551 4.655 50 10 GJCAMM Cc1ccc(OCCn2cc(C=C3SC(=S)[N-]C3=O)c3ccccc32)cc1 ZINC000002954728 209402407 /nfs/dbraw/zinc/40/24/07/209402407.db2.gz CQVINTVFCZCNIW-XDHOZWIPSA-N -1 1 394.521 4.518 50 10 GJCAMM Cc1cccc(Oc2c(=O)c3ccc([O-])c(CN(C)C)c3oc2C(F)(F)F)c1 ZINC000020010830 204697574 /nfs/dbraw/zinc/69/75/74/204697574.db2.gz MNQVMQNTOFNCKX-UHFFFAOYSA-N -1 1 393.361 4.680 50 10 GJCAMM O=C1[N-]C(=S)S/C1=C/c1cc(Cl)ccc1OCc1ccccc1F ZINC000001219786 570258862 /nfs/dbraw/zinc/25/88/62/570258862.db2.gz AQUAPCRSHHONHO-OVCLIPMQSA-N -1 1 379.865 4.547 50 10 GJCAMM CCCOC(=O)c1ccc(N=Cc2c(C)[n-]n(-c3ccc(C)c(C)c3)c2=O)cc1 ZINC000006138741 570468665 /nfs/dbraw/zinc/46/86/65/570468665.db2.gz HKCOFFVPKSKJFM-STZFKDTASA-N -1 1 391.471 4.589 50 10 GJCAMM O=S(=O)([N-]c1cccc(N2CCCC2)c1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000001141323 209305259 /nfs/dbraw/zinc/30/52/59/209305259.db2.gz MTQJAGPUYZQOGM-UHFFFAOYSA-N -1 1 390.508 4.659 50 10 GJCAMM Cc1ccc(OCCCOc2ccccc2C=C2SC(=S)[N-]C2=O)c(C)c1 ZINC000002882700 203971261 /nfs/dbraw/zinc/97/12/61/203971261.db2.gz MVISVFYPWJLCKM-CPNJWEJPSA-N -1 1 399.537 4.640 50 10 GJCAMM Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000001185970 206364899 /nfs/dbraw/zinc/36/48/99/206364899.db2.gz XUHZYWNBOVBDNN-VGOFMYFVSA-N -1 1 382.432 4.602 50 10 GJCAMM CCCn1cc(C=C2C(=O)[N-]C(=S)N(C3CCCCC3)C2=O)c2ccccc21 ZINC000017249110 207087933 /nfs/dbraw/zinc/08/79/33/207087933.db2.gz AFBGJTPRQPNCEH-QGOAFFKASA-N -1 1 395.528 4.851 50 10 GJCAMM O=C1[N-]C(=S)S/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000009109884 570549559 /nfs/dbraw/zinc/54/95/59/570549559.db2.gz KCARIPIYMVAJGW-MHWRWJLKSA-N -1 1 397.912 4.682 50 10 GJCAMM Cc1cc(C)cc(OCCCOc2ccc(C=C3SC(=S)[N-]C3=O)cc2)c1 ZINC000002874196 206443752 /nfs/dbraw/zinc/44/37/52/206443752.db2.gz PPACVSIMSGKOBC-CPNJWEJPSA-N -1 1 399.537 4.640 50 10 GJCAMM Cc1ccc(-c2ccc(C=C3SC(=S)[N-]C3=O)o2)c(Br)c1 ZINC000002119997 206399722 /nfs/dbraw/zinc/39/97/22/206399722.db2.gz MEIYSYJMBPWNKF-NTUHNPAUSA-N -1 1 380.288 4.506 50 10 GJCAMM Cc1ccc(COc2ccc([N+](=O)[O-])cc2C=C2SC(=O)[N-]C2=S)cc1 ZINC000016805074 221370341 /nfs/dbraw/zinc/37/03/41/221370341.db2.gz GNAQIMZLQDJUOW-SXGWCWSVSA-N -1 1 386.454 4.607 50 10 GJCAMM CCc1ccc(OCCCOc2ccc(C=C3SC(=S)[N-]C3=O)cc2)cc1 ZINC000002874294 570314541 /nfs/dbraw/zinc/31/45/41/570314541.db2.gz PBGZJGNJBFYEAY-XMHGGMMESA-N -1 1 399.537 4.586 50 10 GJCAMM Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000003252187 570334439 /nfs/dbraw/zinc/33/44/39/570334439.db2.gz KQWWSRSQBFYZRG-NTUHNPAUSA-N -1 1 383.325 4.890 50 10 GJCAMM O=[N+]([O-])c1ccccc1[C@@H]1c2cccn2CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000036347817 570563224 /nfs/dbraw/zinc/56/32/24/570563224.db2.gz TZJNGUYAMNYKKM-OAQYLSRUSA-N -1 1 397.862 4.751 50 10 GJCAMM Cc1ccc(OCCn2cc(C=C3SC(=S)[N-]C3=O)c3ccccc32)cc1 ZINC000013943294 221293169 /nfs/dbraw/zinc/29/31/69/221293169.db2.gz CQVINTVFCZCNIW-UNOMPAQXSA-N -1 1 394.521 4.518 50 10 GJCAMM O=[N+]([O-])c1ccccc1[C@H]1c2cccn2CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000036347818 570563423 /nfs/dbraw/zinc/56/34/23/570563423.db2.gz TZJNGUYAMNYKKM-NRFANRHFSA-N -1 1 397.862 4.751 50 10 GJCAMM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccccc1Br ZINC000101141423 570815811 /nfs/dbraw/zinc/81/58/11/570815811.db2.gz JWCMVRDDYZGDPB-GXDHUFHOSA-N -1 1 390.668 4.821 50 10 GJCAMM Cc1cccc(COc2ccc(Cl)cc2C=C2SC(=S)[N-]C2=O)c1 ZINC000001179985 570254705 /nfs/dbraw/zinc/25/47/05/570254705.db2.gz INEDAYNQACDDNW-CXUHLZMHSA-N -1 1 375.902 4.716 50 10 GJCAMM O=C(Oc1ccc(/C=C2/SC(=S)[N-]C2=O)cc1)c1cccc2ccccc21 ZINC000006244087 570348275 /nfs/dbraw/zinc/34/82/75/570348275.db2.gz HBIPTWYNYDDVAS-LDADJPATSA-N -1 1 391.473 4.548 50 10 GJCAMM O=C1[N-]C(=S)S/C1=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000015800415 207061966 /nfs/dbraw/zinc/06/19/66/207061966.db2.gz NLVZCDXGSURODM-MFOYZWKCSA-N -1 1 384.913 4.832 50 10 GJCAMM CN(C)Cc1c([O-])ccc2c(=O)c(Oc3ccccc3F)c(C(F)(F)F)oc21 ZINC000022242134 207251417 /nfs/dbraw/zinc/25/14/17/207251417.db2.gz MCWBZGCPBHXBRP-UHFFFAOYSA-N -1 1 397.324 4.510 50 10 GJCAMM Cc1ccc(Sc2ccc([N+](=O)[O-])cc2C=C2SC(=S)[N-]C2=O)cc1 ZINC000012370122 570647629 /nfs/dbraw/zinc/64/76/29/570647629.db2.gz CSKDDJUGOQNWLT-DHDCSXOGSA-N -1 1 388.495 4.543 50 10 GJCAMM Cc1cccc(OCCCOc2ccc(C)cc2C=C2SC(=S)[N-]C2=O)c1 ZINC000002811658 570304125 /nfs/dbraw/zinc/30/41/25/570304125.db2.gz QPXYXDFZUHITFU-UYRXBGFRSA-N -1 1 399.537 4.640 50 10 GJCAMM O=C1[N-]C(=S)S/C1=C\c1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000006221525 570343939 /nfs/dbraw/zinc/34/39/39/570343939.db2.gz LZHOYZRUXMTTRY-NVNXTCNLSA-N -1 1 379.865 4.547 50 10 GJCAMM Cc1cc(C)cc(OCCCOc2ccccc2C=C2SC(=S)[N-]C2=O)c1 ZINC000002882400 206443864 /nfs/dbraw/zinc/44/38/64/206443864.db2.gz XSNUXCFLIFVVSJ-CPNJWEJPSA-N -1 1 399.537 4.640 50 10 GJCAMM O=C(Oc1cccc(/C=C2\SC(=S)[N-]C2=O)c1)c1cccc2ccccc21 ZINC000015769805 221343519 /nfs/dbraw/zinc/34/35/19/221343519.db2.gz IJQTXOSIGORDOZ-PDGQHHTCSA-N -1 1 391.473 4.548 50 10 GJCAMM O=C1[N-]C(=S)S/C1=C\c1cccc(OCc2c(F)cccc2Cl)c1 ZINC000016225701 221359411 /nfs/dbraw/zinc/35/94/11/221359411.db2.gz HYCAPMVKEYHWAJ-NVNXTCNLSA-N -1 1 379.865 4.547 50 10 GJCAMM Cc1cccc(OCCCOc2cccc(C=C3SC(=S)[N-]C3=O)c2)c1C ZINC000002874325 570314423 /nfs/dbraw/zinc/31/44/23/570314423.db2.gz VCLCXFONCAPOGN-CPNJWEJPSA-N -1 1 399.537 4.640 50 10 GJCAMM Cc1cccc(OCCCOc2ccc(C=C3SC(=S)[N-]C3=O)cc2)c1C ZINC000002882752 570316117 /nfs/dbraw/zinc/31/61/17/570316117.db2.gz WANQDSAXFZJBQQ-CPNJWEJPSA-N -1 1 399.537 4.640 50 10 GJCAMM Cc1cccc(COc2ccc(Cl)cc2C=C2SC(=S)[N-]C2=O)c1 ZINC000013897355 207004258 /nfs/dbraw/zinc/00/42/58/207004258.db2.gz INEDAYNQACDDNW-SXGWCWSVSA-N -1 1 375.902 4.716 50 10 GJCAMM Cc1ccc(OCCCOc2ccc(C=C3SC(=S)[N-]C3=O)cc2)cc1C ZINC000002874379 570314514 /nfs/dbraw/zinc/31/45/14/570314514.db2.gz OQCOWMOJINCLRG-CPNJWEJPSA-N -1 1 399.537 4.640 50 10 GJCAMM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccccc1Br ZINC000101148697 570816165 /nfs/dbraw/zinc/81/61/65/570816165.db2.gz VCBLKRPKPBMTRY-GXDHUFHOSA-N -1 1 390.668 4.821 50 10 GJCAMM CC(C)c1ccccc1OCCOc1ccc(C=C2SC(=S)[N-]C2=O)cc1 ZINC000004679562 570825848 /nfs/dbraw/zinc/82/58/48/570825848.db2.gz BDJQARDGMZEKTM-UYRXBGFRSA-N -1 1 399.537 4.757 50 10 GJCAMM O=C(CSc1nc2ccccc2c(-c2ccccc2)n1)c1ccc([O-])c(O)c1 ZINC000044867308 570978539 /nfs/dbraw/zinc/97/85/39/570978539.db2.gz NXAZIIHBBDGTIP-UHFFFAOYSA-N -1 1 388.448 4.683 50 10 GJCAMM Cc1ccccc1NC1=NC(=O)C(=Cc2ccc([O-])c(Br)c2)S1 ZINC000096663441 208320198 /nfs/dbraw/zinc/32/01/98/208320198.db2.gz JVYBVDHUYCHUGH-DHDCSXOGSA-N -1 1 389.274 4.546 50 10 GJCAMM Cc1ccc(C)c(OCCCOc2ccccc2C=C2SC(=S)[N-]C2=O)c1 ZINC000004755118 570403087 /nfs/dbraw/zinc/40/30/87/570403087.db2.gz FFEMBIDFFXPDHG-CPNJWEJPSA-N -1 1 399.537 4.640 50 10 GJCAMM Cc1c(C=C2SC(=S)[N-]C2=O)c2ccccc2n1Cc1ccccc1C ZINC000005102467 570429479 /nfs/dbraw/zinc/42/94/79/570429479.db2.gz JKPHDFQGJIPNLS-ODLFYWEKSA-N -1 1 378.522 4.795 50 10 GJCAMM S=C(NN=c1nnc(-c2ccccc2)c(-c2ccccc2)[n-]1)Nc1ccccc1 ZINC000006575848 570483761 /nfs/dbraw/zinc/48/37/61/570483761.db2.gz MAWDJDAJSIOOFA-UHFFFAOYSA-N -1 1 398.495 4.519 50 10 GJCAMM CCCOC(=O)c1ccc(N=Cc2c(C)[n-]n(-c3ccc(C)c(C)c3)c2=O)cc1 ZINC000101114102 570814610 /nfs/dbraw/zinc/81/46/10/570814610.db2.gz HKCOFFVPKSKJFM-KGENOOAVSA-N -1 1 391.471 4.589 50 10 GJCAMM COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=O)[N-]C2=S)cc1 ZINC000012414283 570656780 /nfs/dbraw/zinc/65/67/80/570656780.db2.gz MJGRXGYXUCMZLH-BOPFTXTBSA-N -1 1 393.493 4.673 50 10 GJCAMM Cc1ccc(C)c(OCCCOc2cccc(C=C3SC(=S)[N-]C3=O)c2)c1 ZINC000002878609 570315299 /nfs/dbraw/zinc/31/52/99/570315299.db2.gz VIFYYQIEADIRSP-CPNJWEJPSA-N -1 1 399.537 4.640 50 10 GJCAMM O=C1[N-]C(=S)S/C1=C\c1cccc(OCc2cccc3ccccc32)c1 ZINC000001216200 212230052 /nfs/dbraw/zinc/23/00/52/212230052.db2.gz PRFCICSJTUSZHA-UNOMPAQXSA-N -1 1 377.490 4.908 50 10 GJCAMM COc1ccccc1NCc1cc(Br)cc(Br)c1[O-] ZINC000001406663 206379893 /nfs/dbraw/zinc/37/98/93/206379893.db2.gz IPSCWEDONORGTQ-UHFFFAOYSA-N -1 1 387.071 4.538 50 10 GJCAMM Cc1cc(C)cc(OCCCOc2cccc(C=C3SC(=S)[N-]C3=O)c2)c1 ZINC000002874092 570314250 /nfs/dbraw/zinc/31/42/50/570314250.db2.gz NDBMPQKQRNIQJJ-CPNJWEJPSA-N -1 1 399.537 4.640 50 10 GJCAMM CCCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(CN(C)C)c1[O-] ZINC000001507203 212248111 /nfs/dbraw/zinc/24/81/11/212248111.db2.gz BAZSEFLMNFNMNY-UHFFFAOYSA-N -1 1 394.496 4.789 50 10 biogenic GJCAMM [O-]c1c(Br)cc(Br)cc1CNc1ccc(F)cc1 ZINC000001406683 206378802 /nfs/dbraw/zinc/37/88/02/206378802.db2.gz RSAVHLHUQZXMTJ-UHFFFAOYSA-N -1 1 375.035 4.668 50 10 GJCAMM Cc1ccccc1COc1ccc(Cl)cc1C=C1SC(=S)[N-]C1=O ZINC000001179637 570254697 /nfs/dbraw/zinc/25/46/97/570254697.db2.gz GPSHLSVDVYQVHJ-CXUHLZMHSA-N -1 1 375.902 4.716 50 10 GJCAMM Cc1ccc(OCCCOc2ccccc2C=C2SC(=S)[N-]C2=O)cc1C ZINC000004755069 570403109 /nfs/dbraw/zinc/40/31/09/570403109.db2.gz DCMGOZHKBPTLDE-CPNJWEJPSA-N -1 1 399.537 4.640 50 10 GJCAMM COc1ccccc1-c1coc2c(ccc([O-])c2C[N@H+]2CCCC[C@H]2C)c1=O ZINC000019790388 212149177 /nfs/dbraw/zinc/14/91/77/212149177.db2.gz ACICCXCUFOEWRG-OAHLLOKOSA-N -1 1 379.456 4.549 50 10 biogenic GJCAMM Cc1oc2c(ccc([O-])c2CN(C)C)c(=O)c1Oc1ccc2ccccc2c1 ZINC000019883659 207167390 /nfs/dbraw/zinc/16/73/90/207167390.db2.gz JVGJCACCTYZOGH-UHFFFAOYSA-N -1 1 375.424 4.814 50 10 biogenic GJCAMM Cc1cccc(C)c1OCCCOc1cccc(C=C2SC(=S)[N-]C2=O)c1 ZINC000002878518 220579853 /nfs/dbraw/zinc/57/98/53/220579853.db2.gz YKDNOJKULAQLFU-QGOAFFKASA-N -1 1 399.537 4.640 50 10 GJCAMM [O-]c1c(O)c(Br)c2ccc(Br)cc2c1Br ZINC000000640475 570270061 /nfs/dbraw/zinc/27/00/61/570270061.db2.gz VCRHHGUTGYCZRI-UHFFFAOYSA-N -1 1 396.860 4.539 50 10 GJCAMM [O-]c1c(O)c(Br)c2cc(Br)ccc2c1Br ZINC000000640475 570270063 /nfs/dbraw/zinc/27/00/63/570270063.db2.gz VCRHHGUTGYCZRI-UHFFFAOYSA-N -1 1 396.860 4.539 50 10 GJCAMM Cc1cccc(OCCCOc2ccccc2C=C2SC(=S)[N-]C2=O)c1C ZINC000004755080 570403014 /nfs/dbraw/zinc/40/30/14/570403014.db2.gz OZPBYHXQBNQCGG-CPNJWEJPSA-N -1 1 399.537 4.640 50 10 GJCAMM CCN1CCc2c(sc3c2C(=O)N[C@H](c2cc(Cl)cc(Cl)c2[O-])N3)C1 ZINC000004556422 570882955 /nfs/dbraw/zinc/88/29/55/570882955.db2.gz KFXLEDWFTFXUQB-HNNXBMFYSA-N -1 1 398.315 4.567 50 10 GJCAMM