smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(CSc3ccccc3)cc2)c1 ZINC000223673574 206004649 /nfs/dbraw/zinc/00/46/49/206004649.db2.gz XJOOCUHPMJKKRN-UHFFFAOYSA-N -1 1 383.538 5.397 40 0 GKABMM CCCOc1ccc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2c1 ZINC000072414159 211114383 /nfs/dbraw/zinc/11/43/83/211114383.db2.gz YIZSJAWGNYULIL-UHFFFAOYSA-N -1 1 375.877 5.083 40 0 GKABMM O=S(=O)([N-]c1ccccc1C(F)(F)F)c1ccc(Oc2ccccc2)cc1 ZINC000030755717 207374529 /nfs/dbraw/zinc/37/45/29/207374529.db2.gz RXBVFVALWRPLNX-UHFFFAOYSA-N -1 1 393.386 5.299 40 0 GKABMM COc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)cc1C(C)C ZINC000408680537 533072882 /nfs/dbraw/zinc/07/28/82/533072882.db2.gz NBDPZLJYFMNJAD-UHFFFAOYSA-N -1 1 381.497 5.286 40 0 GKABMM CCCc1c(=O)[n-]c(Nc2nc(C)c3cc(C)cc(C)c3n2)nc1-c1ccccc1 ZINC000020634024 210353342 /nfs/dbraw/zinc/35/33/42/210353342.db2.gz SYJFBDOFKJQPBV-UHFFFAOYSA-N -1 1 399.498 5.001 40 0 GKABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3cc(C)ccc3C)ccc21 ZINC000223675278 208909242 /nfs/dbraw/zinc/90/92/42/208909242.db2.gz KJWYGCFBBOAIQW-UHFFFAOYSA-N -1 1 378.497 5.232 40 0 GKABMM CCOC(=O)c1c([O-])c(Br)ccc1/C=C/c1ccc(Cl)s1 ZINC000035973542 221836981 /nfs/dbraw/zinc/83/69/81/221836981.db2.gz SQTZUWAPBHULBR-HWKANZROSA-N -1 1 387.682 5.217 40 0 GKABMM O=C1c2c(c(Nc3ccccc3)c3ccccc3c2[O-])C(=O)N1c1ccccc1 ZINC000104230681 570299849 /nfs/dbraw/zinc/29/98/49/570299849.db2.gz UPXLPSRVGZVROL-UHFFFAOYSA-N -1 1 380.403 5.090 40 0 GKABMM COc1ccc(-c2nc(-c3ccccc3)ncc2-c2ccc(Cl)cc2)c([O-])c1 ZINC000028464827 570408799 /nfs/dbraw/zinc/40/87/99/570408799.db2.gz NABSKEINCYIGOE-UHFFFAOYSA-N -1 1 388.854 5.845 40 0 GKABMM CCSc1ccccc1[N-]S(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000030864604 570499520 /nfs/dbraw/zinc/49/95/20/570499520.db2.gz NQXKPPHCZVNACO-UHFFFAOYSA-N -1 1 385.510 5.392 40 0 GKABMM O=S(=O)(Cc1c(F)cccc1Cl)[N-]c1ccc2c(c1)oc1ccccc12 ZINC000224181602 570502537 /nfs/dbraw/zinc/50/25/37/570502537.db2.gz ZGXHAJALGBORSE-UHFFFAOYSA-N -1 1 389.835 5.320 40 0 GKABMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)oc2ccccc23)cc1C(C)C ZINC000224636834 570522033 /nfs/dbraw/zinc/52/20/33/570522033.db2.gz VXXYAWJSKQAUDJ-UHFFFAOYSA-N -1 1 395.480 5.519 40 0 GKABMM CCCCCc1cc(O)cc2c1Oc1cc([O-])cc(C(=O)CCCC)c1C(=O)O2 ZINC000001664036 570628583 /nfs/dbraw/zinc/62/85/83/570628583.db2.gz ZSMRNRJMUKTCNH-UHFFFAOYSA-N -1 1 398.455 5.528 40 0 GKABMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)c(C)c1 ZINC000006362193 570741229 /nfs/dbraw/zinc/74/12/29/570741229.db2.gz BWCBSKCLAWWSJR-UHFFFAOYSA-N -1 1 383.538 5.564 40 0 GKABMM CCn1c2ccccc2c2cc(CNn3c(=S)[n-]nc3-c3ccccc3)ccc21 ZINC000007365435 570758040 /nfs/dbraw/zinc/75/80/40/570758040.db2.gz AATZSDXPQBHHQZ-UHFFFAOYSA-N -1 1 399.523 5.479 40 0 GKABMM CCCc1n[n-]c(=S)n1NCc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000007602272 570760885 /nfs/dbraw/zinc/76/08/85/570760885.db2.gz LYVNJVBOKFQLTG-UHFFFAOYSA-N -1 1 383.304 5.204 40 0 GKABMM CC(C)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c([O-])c2)cc1 ZINC000020158459 570930675 /nfs/dbraw/zinc/93/06/75/570930675.db2.gz ZMKCEPJFEKETDI-UHFFFAOYSA-N -1 1 388.492 6.045 40 0 GKABMM COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCc1cccc(Cl)c1 ZINC000002779871 570989033 /nfs/dbraw/zinc/98/90/33/570989033.db2.gz HJJFFYXHZQVDLF-CXUHLZMHSA-N -1 1 391.901 5.257 40 0 GKABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(SC)cc3)ccc21 ZINC000408623271 231085482 /nfs/dbraw/zinc/08/54/82/231085482.db2.gz FCRUGJNUKJILOE-UHFFFAOYSA-N -1 1 396.537 5.337 40 0 GKABMM Cc1sc2nc(-c3ccc(OCc4cccc(C)c4)cc3)[n-]c(=O)c2c1C ZINC000408734674 231107406 /nfs/dbraw/zinc/10/74/06/231107406.db2.gz IIZPZDUFLYTHSF-UHFFFAOYSA-N -1 1 376.481 5.568 40 0 GKABMM Cc1sc2nc(-c3ccc(-c4ccc(Cl)cc4Cl)o3)[n-]c(=O)c2c1C ZINC000408735613 231108168 /nfs/dbraw/zinc/10/81/68/231108168.db2.gz UZVUTUSNXIKKJB-UHFFFAOYSA-N -1 1 391.279 6.248 40 0 GKABMM CC(C)=CCc1cc([C@H]2CC(=O)c3ccc([O-])c(CC=C(C)C)c3O2)ccc1O ZINC000005854709 570280680 /nfs/dbraw/zinc/28/06/80/570280680.db2.gz CUFAXDWQDQQKFF-XMMPIXPASA-N -1 1 392.495 5.822 40 0 endogenous,in-man GKABMM Cc1ccc(-c2nc([N-]c3nc(C)c4cc(C)ccc4n3)nc3c2CCCC3)cc1 ZINC000020798174 570281029 /nfs/dbraw/zinc/28/10/29/570281029.db2.gz QBUIHRDMKCDWJP-UHFFFAOYSA-N -1 1 395.510 5.634 40 0 GKABMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nc3ccc(C)cc3s2)cc1 ZINC000005729477 570453577 /nfs/dbraw/zinc/45/35/77/570453577.db2.gz OVMUGHNJHKOFHQ-UHFFFAOYSA-N -1 1 394.521 5.381 40 0 GKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)cc1 ZINC000006361991 570741135 /nfs/dbraw/zinc/74/11/35/570741135.db2.gz GIOXCQNZFBPXPE-UHFFFAOYSA-N -1 1 385.510 5.037 40 0 GKABMM CCOc1c(Cl)cc(Cl)cc1CNn1c(=S)[n-]nc1-c1ccccc1 ZINC000008253444 570766083 /nfs/dbraw/zinc/76/60/83/570766083.db2.gz VBVTYNQNVMJLEA-UHFFFAOYSA-N -1 1 395.315 5.057 40 0 GKABMM Cc1sc2nc(-c3ccc(-c4ccc(Cl)c(Cl)c4)o3)[n-]c(=O)c2c1C ZINC000408734767 231107367 /nfs/dbraw/zinc/10/73/67/231107367.db2.gz JKPIENAKACCBLA-UHFFFAOYSA-N -1 1 391.279 6.248 40 0 GKABMM O=C(Nc1ccc(-c2nc3ccccc3s2)c([O-])c1)c1ccccc1Cl ZINC000000830074 209270310 /nfs/dbraw/zinc/27/03/10/209270310.db2.gz LQJPUEGERHJORN-UHFFFAOYSA-N -1 1 380.856 5.575 40 0 GKABMM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc(Oc2ccccc2)cc1 ZINC000005598895 204141451 /nfs/dbraw/zinc/14/14/51/204141451.db2.gz JWGFERAFBSFLRQ-UHFFFAOYSA-N -1 1 393.386 5.299 40 0 GKABMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)oc2ccccc23)c(C)c1C ZINC000225150560 206039589 /nfs/dbraw/zinc/03/95/89/206039589.db2.gz ZSHLYPHCIHRTBU-UHFFFAOYSA-N -1 1 381.453 5.012 40 0 GKABMM CC(=O)N[C@]1(C)C[C@H](c2cccc(Cl)c2[O-])O[C@H](c2ccc(Cl)cc2)C1 ZINC000257262651 209062667 /nfs/dbraw/zinc/06/26/67/209062667.db2.gz LMFWWFJMZYGLGU-NSHGMRRFSA-N -1 1 394.298 5.187 40 0 GKABMM CC(C)Oc1cccc([N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1 ZINC000020457439 570259502 /nfs/dbraw/zinc/25/95/02/570259502.db2.gz ZYZULKYBQJGXAV-UHFFFAOYSA-N -1 1 383.469 5.067 40 0 GKABMM COc1ccc2nc([N-]c3nc4c(c(-c5ccccc5)n3)CCCC4)nc(C)c2c1 ZINC000020798114 570280885 /nfs/dbraw/zinc/28/08/85/570280885.db2.gz WOMHZZKDINAAJI-UHFFFAOYSA-N -1 1 397.482 5.026 40 0 GKABMM COc1cc(-c2nc3ccccc3c(=O)[n-]2)ccc1OCc1ccc(Cl)cc1 ZINC000575410913 570302578 /nfs/dbraw/zinc/30/25/78/570302578.db2.gz LSTKLWFHEGLULC-UHFFFAOYSA-N -1 1 392.842 5.243 40 0 GKABMM COc1ccc2cc(S(=O)(=O)[N-]c3ccccc3-c3ccccc3)ccc2c1 ZINC000223158031 570447285 /nfs/dbraw/zinc/44/72/85/570447285.db2.gz HAUFQJNLYZBTTC-UHFFFAOYSA-N -1 1 389.476 5.316 40 0 GKABMM O=C(Nc1ccc([O-])c(-c2nc3cc(Cl)ccc3o2)c1)c1ccccc1F ZINC000000861600 570497728 /nfs/dbraw/zinc/49/77/28/570497728.db2.gz HBSRSJFPSOJETQ-UHFFFAOYSA-N -1 1 382.778 5.245 40 0 GKABMM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc(Oc2ccccc2)cc1 ZINC000044885817 570639103 /nfs/dbraw/zinc/63/91/03/570639103.db2.gz QKJFXMQDJSIYJA-UHFFFAOYSA-N -1 1 394.279 5.587 40 0 GKABMM CCCCCCc1cc2cc(-c3cn4cc(Cl)ccc4n3)c(=O)oc2cc1[O-] ZINC000004903766 570647018 /nfs/dbraw/zinc/64/70/18/570647018.db2.gz FQLAJMCUADXKEQ-UHFFFAOYSA-N -1 1 396.874 5.590 40 0 GKABMM O=C1[N-]C(=S)SC1=Cc1ccccc1OCc1cccc2ccccc21 ZINC000002772254 570721103 /nfs/dbraw/zinc/72/11/03/570721103.db2.gz ZYUCPSFLJIQNBA-XDHOZWIPSA-N -1 1 377.490 5.748 40 0 GKABMM S=c1[n-]ncn1NCc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000007602550 570761513 /nfs/dbraw/zinc/76/15/13/570761513.db2.gz ONUDIGQXFODAOS-UHFFFAOYSA-N -1 1 396.903 5.070 40 0 GKABMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)c(C)c1 ZINC000014221173 570880473 /nfs/dbraw/zinc/88/04/73/570880473.db2.gz NRGCGTDZLWEPLA-UHFFFAOYSA-N -1 1 377.815 5.085 40 0 GKABMM O=C([O-])c1ccc(CNCc2cc(Cl)ccc2OCc2ccc(F)cc2)cc1 ZINC000016401608 570923954 /nfs/dbraw/zinc/92/39/54/570923954.db2.gz CTOCRHMCMZWBFR-UHFFFAOYSA-N -1 1 399.849 5.046 40 0 GKABMM CCc1ccc2oc(-c3cc(NC(=O)C(Cl)(Cl)Cl)ccc3[O-])nc2c1 ZINC000070462010 570967711 /nfs/dbraw/zinc/96/77/11/570967711.db2.gz KYKSXXRHTVEYEI-UHFFFAOYSA-N -1 1 399.661 5.072 40 0 GKABMM CSC(=S)[N-]c1ccc(/C=C/C2=CC[C@@H](NC(=S)SC)C=C2)cc1 ZINC000004235695 204032955 /nfs/dbraw/zinc/03/29/55/204032955.db2.gz HQWYEFWOWWPYJO-CWDCEQMOSA-N -1 1 392.640 5.252 40 0 GKABMM O=S(=O)([N-]c1ccc2c(c1)Sc1ccccc1O2)c1ccc(Cl)cc1 ZINC000005582944 204141750 /nfs/dbraw/zinc/14/17/50/204141750.db2.gz WAPRGTDJQGBWIP-UHFFFAOYSA-N -1 1 389.885 5.398 40 0 GKABMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2[C@@H]2Nc3ccccc3S2)cc1 ZINC000000639374 206310491 /nfs/dbraw/zinc/31/04/91/206310491.db2.gz ZBQXAXGRJWBYLA-HXUWFJFHSA-N -1 1 382.510 5.012 40 0 GKABMM O=C1[N-]C(=O)C(=Cc2c(OCc3ccc(Cl)cc3)ccc3ccccc32)S1 ZINC000106695438 534785380 /nfs/dbraw/zinc/78/53/80/534785380.db2.gz AOPMHCUIBXKSJN-ODLFYWEKSA-N -1 1 395.867 5.396 40 0 GKABMM CCCc1c(=O)[n-]c(Nc2nc(C)c3cc(C)c(C)cc3n2)nc1-c1ccccc1 ZINC000020634027 570273585 /nfs/dbraw/zinc/27/35/85/570273585.db2.gz HWIHDRXHZZDUBJ-UHFFFAOYSA-N -1 1 399.498 5.001 40 0 GKABMM Cc1cccc(-c2ccc3c(c2)C2(CN3C(=O)c3ccccc3[O-])CCOCC2)c1 ZINC000585105795 570319745 /nfs/dbraw/zinc/31/97/45/570319745.db2.gz NTCVHKPEHBZYIF-UHFFFAOYSA-N -1 1 399.490 5.076 40 0 GKABMM CSC(=S)[N-]c1ccc(/C=C/C2=CC[C@H](NC(=S)SC)C=C2)cc1 ZINC000004235694 570363889 /nfs/dbraw/zinc/36/38/89/570363889.db2.gz HQWYEFWOWWPYJO-QDLOVBKTSA-N -1 1 392.640 5.252 40 0 GKABMM C[C@@H](COc1ccccc1)COc1ccc(C=C2SC(=S)[N-]C2=O)cc1 ZINC000026580590 570376067 /nfs/dbraw/zinc/37/60/67/570376067.db2.gz MYVXVSGTKLSJEO-DZBQEORWSA-N -1 1 385.510 5.110 40 0 GKABMM CCc1ccc(C(=O)NC(=S)Nc2cc(C(C)(C)C)cc(Cl)c2[O-])cc1 ZINC000408629107 570381143 /nfs/dbraw/zinc/38/11/43/570381143.db2.gz ZLAJKPMNDGRERR-UHFFFAOYSA-N -1 1 390.936 5.032 40 0 GKABMM CCSc1ccccc1[N-]S(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000223521671 570469479 /nfs/dbraw/zinc/46/94/79/570469479.db2.gz HWPMZTNMVQGNQR-UHFFFAOYSA-N -1 1 379.547 5.040 40 0 GKABMM CC1(C)CCc2cc(S(=O)(=O)[N-]c3ccccc3-c3ccccc3)ccc2O1 ZINC000223664969 570477533 /nfs/dbraw/zinc/47/75/33/570477533.db2.gz OWWBNISRUGFECB-UHFFFAOYSA-N -1 1 393.508 5.258 40 0 GKABMM COc1ccccc1C(=O)Nc1ccc([O-])c(-c2nc3cc(Cl)ccc3o2)c1 ZINC000000861601 570497864 /nfs/dbraw/zinc/49/78/64/570497864.db2.gz QCVRBRYYZORCSX-UHFFFAOYSA-N -1 1 394.814 5.115 40 0 GKABMM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)cc1C(C)C ZINC000225143539 570552380 /nfs/dbraw/zinc/55/23/80/570552380.db2.gz XPOXWZVGNDJBSD-UHFFFAOYSA-N -1 1 395.524 5.595 40 0 GKABMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)cc1C(C)C ZINC000225201035 570555798 /nfs/dbraw/zinc/55/57/98/570555798.db2.gz HHKAHKOMPAVCGX-UHFFFAOYSA-N -1 1 395.524 5.180 40 0 GKABMM COc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)c(C)c1C ZINC000225510466 570581768 /nfs/dbraw/zinc/58/17/68/570581768.db2.gz PNLGZQKRTASEGK-UHFFFAOYSA-N -1 1 399.537 5.264 40 0 GKABMM O=C(Nc1ccc(Br)c2ccccc12)c1ccc2ccccc2c1[O-] ZINC000001607786 570716190 /nfs/dbraw/zinc/71/61/90/570716190.db2.gz FXYXGRSAQZGIOS-UHFFFAOYSA-N -1 1 392.252 5.713 40 0 GKABMM CCCc1n[n-]c(=S)n1NCc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000007602169 570761015 /nfs/dbraw/zinc/76/10/15/570761015.db2.gz LSYFXCRDVSRNRO-UHFFFAOYSA-N -1 1 383.304 5.204 40 0 GKABMM Cc1ccc2c(Cl)c(C(=O)[N-]c3nnc(-c4ccccc4)s3)sc2c1 ZINC000009062214 570785372 /nfs/dbraw/zinc/78/53/72/570785372.db2.gz JOSJAAMAFGZBTH-UHFFFAOYSA-N -1 1 385.901 5.634 40 0 GKABMM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1ccc2c3c(cccc31)CC2 ZINC000107539425 570974489 /nfs/dbraw/zinc/97/44/89/570974489.db2.gz QYLASYGUBPPCAW-UHFFFAOYSA-N -1 1 378.280 5.046 40 0 GKABMM Cc1sc2nc(-c3ccc(-c4cccc(Cl)c4Cl)o3)[n-]c(=O)c2c1C ZINC000408733895 231107663 /nfs/dbraw/zinc/10/76/63/231107663.db2.gz CJBGOVRVAPABLQ-UHFFFAOYSA-N -1 1 391.279 6.248 40 0 GKABMM O=C1[N-]C(=S)SC1=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000026580580 212107482 /nfs/dbraw/zinc/10/74/82/212107482.db2.gz KSCYEBSZWSPKGR-NVNXTCNLSA-N -1 1 396.320 5.902 40 0 GKABMM O=S(=O)([N-]c1cc2c3c(oc2c(Cl)c1)CCCC3)c1ccc(Cl)cc1 ZINC000000822585 212061358 /nfs/dbraw/zinc/06/13/58/212061358.db2.gz WLNDSYFZMIMDQX-UHFFFAOYSA-N -1 1 396.295 5.419 40 0 GKABMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000006328154 204174653 /nfs/dbraw/zinc/17/46/53/204174653.db2.gz SDGVOIHKRIOMRJ-UHFFFAOYSA-N -1 1 377.815 5.283 40 0 GKABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(F)c(C)c3)ccc21 ZINC000225606531 206060961 /nfs/dbraw/zinc/06/09/61/206060961.db2.gz TWFIWPDDUQUZBI-UHFFFAOYSA-N -1 1 382.460 5.063 40 0 GKABMM Cc1csc([C@H]2CCCN2Cc2ccc(-c3ccccc3C(=O)[O-])cc2)n1 ZINC000257241714 206165350 /nfs/dbraw/zinc/16/53/50/206165350.db2.gz HZHGGPCABXEZBD-HXUWFJFHSA-N -1 1 378.497 5.154 40 0 GKABMM O=C1[N-]C(=S)SC1=Cc1ccc(OCc2ccccc2Cl)c(Cl)c1 ZINC000026464908 206253230 /nfs/dbraw/zinc/25/32/30/206253230.db2.gz ZDFYIEVAQPYJQD-NVNXTCNLSA-N -1 1 396.320 5.902 40 0 GKABMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c2ccccc12 ZINC000016780594 207078178 /nfs/dbraw/zinc/07/81/78/207078178.db2.gz RIKXLTCQXRVFOG-UHFFFAOYSA-N -1 1 375.877 5.083 40 0 GKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)cc1C ZINC000408559756 528588979 /nfs/dbraw/zinc/58/89/79/528588979.db2.gz YPAKPPSILYDREZ-UHFFFAOYSA-N -1 1 399.537 5.346 40 0 GKABMM CCCc1n[n-]c(=S)n1NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000007602196 528680610 /nfs/dbraw/zinc/68/06/10/528680610.db2.gz ZHHPRAUPWPXYJN-UHFFFAOYSA-N -1 1 383.304 5.204 40 0 GKABMM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1ccc(Oc2ccccc2)cc1 ZINC000005901282 570461130 /nfs/dbraw/zinc/46/11/30/570461130.db2.gz QWUXHZDWUZNOHK-UHFFFAOYSA-N -1 1 394.279 5.587 40 0 GKABMM O=C(Oc1ccc(C=C2SC(=S)[N-]C2=O)cc1)c1cccc2ccccc21 ZINC000035340244 570466578 /nfs/dbraw/zinc/46/65/78/570466578.db2.gz HBIPTWYNYDDVAS-PDGQHHTCSA-N -1 1 391.473 5.388 40 0 GKABMM COc1cccc([N-]S(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1 ZINC000000828158 570485952 /nfs/dbraw/zinc/48/59/52/570485952.db2.gz RPZJNYADGKIDGQ-UHFFFAOYSA-N -1 1 389.561 5.866 40 0 GKABMM O=S(=O)([N-]c1ccccc1SCc1ccc(Cl)cc1)c1ccccc1 ZINC000010112676 570565681 /nfs/dbraw/zinc/56/56/81/570565681.db2.gz VVYDZWNZZVDHMI-UHFFFAOYSA-N -1 1 389.929 5.433 40 0 GKABMM Nc1cc(Br)c([O-])c(-c2nc3cc(-c4ccccc4)ccc3o2)c1 ZINC000073634573 570576975 /nfs/dbraw/zinc/57/69/75/570576975.db2.gz 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