smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])cc1 ZINC000007603274 817877406 /nfs/dbraw/zinc/87/74/06/817877406.db2.gz UXZFIDKGOWHNBJ-GDNBJRDFSA-N -1 1 387.848 4.352 40 0 GIABMM Cc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1C(=O)NC(C)C ZINC000408588142 231069809 /nfs/dbraw/zinc/06/98/09/231069809.db2.gz CQFVSBQTZZMYOG-UHFFFAOYSA-N -1 1 382.485 4.087 40 0 GIABMM Cc1sc2nc(-c3cc4c(cc3Br)OCO4)[n-]c(=O)c2c1C ZINC000408735121 231107448 /nfs/dbraw/zinc/10/74/48/231107448.db2.gz OFHPKQVWIPJRSN-UHFFFAOYSA-N -1 1 379.235 4.172 40 0 GIABMM COc1cc(OC)c(-c2nc3sc(C)c(C)c3c(=O)[n-]2)cc1Br ZINC000408735660 231107895 /nfs/dbraw/zinc/10/78/95/231107895.db2.gz VUOLDGWXSZKYAF-UHFFFAOYSA-N -1 1 395.278 4.460 40 0 GIABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC3CCCC3)ccc2C)c1C ZINC000409381454 231198660 /nfs/dbraw/zinc/19/86/60/231198660.db2.gz MJIMQCYSEFHGGX-UHFFFAOYSA-N -1 1 386.517 4.085 40 0 GIABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCC(C)C)ccc2C)c1C ZINC000409411018 231202119 /nfs/dbraw/zinc/20/21/19/231202119.db2.gz SHWAICAPEZCPGU-UHFFFAOYSA-N -1 1 388.533 4.189 40 0 GIABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3ccccc3C)c2)cc1 ZINC000007109188 204233512 /nfs/dbraw/zinc/23/35/12/204233512.db2.gz NVKKTJSRSNIQRP-UHFFFAOYSA-N -1 1 394.496 4.034 40 0 GIABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccccc3F)c2)c1 ZINC000008289307 204269072 /nfs/dbraw/zinc/26/90/72/204269072.db2.gz LTNSKGWXOQTSNQ-UHFFFAOYSA-N -1 1 384.432 4.187 40 0 GIABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(C)C)c2)c(C)c1 ZINC000223653665 206004596 /nfs/dbraw/zinc/00/45/96/206004596.db2.gz JCIQOGFXWLUDIH-UHFFFAOYSA-N -1 1 391.489 4.105 40 0 GIABMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)c1 ZINC000223792065 206006122 /nfs/dbraw/zinc/00/61/22/206006122.db2.gz HHJDYOXBIQUYKD-UHFFFAOYSA-N -1 1 383.425 4.066 40 0 GIABMM CCC(CC)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000223998060 206010490 /nfs/dbraw/zinc/01/04/90/206010490.db2.gz OLPNLGCKDZGHCD-UHFFFAOYSA-N -1 1 392.546 4.128 40 0 GIABMM CCC(CC)NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224055184 206011307 /nfs/dbraw/zinc/01/13/07/206011307.db2.gz LDBBSDYNNKKSGE-UHFFFAOYSA-N -1 1 394.924 4.368 40 0 GIABMM CCC(C)(C)NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000224063102 206011948 /nfs/dbraw/zinc/01/19/48/206011948.db2.gz MIOZBXIGRCNOQF-UHFFFAOYSA-N -1 1 380.897 4.059 40 0 GIABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCC3=CCCCC3)c2C)cc1 ZINC000224080085 206012199 /nfs/dbraw/zinc/01/21/99/206012199.db2.gz QJBRAVIVMLROGH-UHFFFAOYSA-N -1 1 398.528 4.334 40 0 GIABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCC3=CCCCC3)ccc2C)cc1 ZINC000224084509 206012506 /nfs/dbraw/zinc/01/25/06/206012506.db2.gz XQCLFYXFJZUCEO-UHFFFAOYSA-N -1 1 398.528 4.334 40 0 GIABMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc3cc(OC)ccc3c2)c1C ZINC000224788274 206027046 /nfs/dbraw/zinc/02/70/46/206027046.db2.gz UIHAYEBXJQSSPU-UHFFFAOYSA-N -1 1 399.468 4.134 40 0 GIABMM CC(C)n1c(=O)sc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc21 ZINC000225702597 206069363 /nfs/dbraw/zinc/06/93/63/206069363.db2.gz LZXFEAZTHYUPMP-UHFFFAOYSA-N -1 1 382.894 4.098 40 0 GIABMM CCCn1c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3C)cc2sc1=O ZINC000225723638 206071365 /nfs/dbraw/zinc/07/13/65/206071365.db2.gz NXXAEUABUZIYKV-UHFFFAOYSA-N -1 1 396.921 4.236 40 0 GIABMM Cc1cc(=O)cc([C@@H]2CCCN2Cc2ccc(-c3ccccc3C(=O)[O-])o2)[nH]1 ZINC000257287197 206173110 /nfs/dbraw/zinc/17/31/10/206173110.db2.gz POXLSWPTKVSTOJ-FQEVSTJZSA-N -1 1 378.428 4.391 40 0 GIABMM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC ZINC000408588861 529107811 /nfs/dbraw/zinc/10/78/11/529107811.db2.gz ZVBIUXYFAOHPMH-UHFFFAOYSA-N -1 1 398.868 4.108 40 0 GIABMM O=C(Nc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020109090 570240255 /nfs/dbraw/zinc/24/02/55/570240255.db2.gz XSIKGNDDQNTNLP-UHFFFAOYSA-N -1 1 386.860 4.393 40 0 GIABMM CCCc1nc2ccc([N-]S(=O)(=O)c3ccc(OCC)cc3)cc2s1 ZINC000022255175 570311292 /nfs/dbraw/zinc/31/12/92/570311292.db2.gz RTRIKVVILBGHGP-UHFFFAOYSA-N -1 1 376.503 4.448 40 0 GIABMM Cc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccccc3C)C([O-])=C2ON1c1ccccc1 ZINC000101127553 570318784 /nfs/dbraw/zinc/31/87/84/570318784.db2.gz QOYHOFGUUCNIKW-VJBWXMMDSA-N -1 1 398.462 4.355 40 0 GIABMM CCCC(=O)NC(=S)Nc1ccc(-c2nc3cc(C)cc(C)c3o2)c([O-])c1 ZINC000408626470 570378713 /nfs/dbraw/zinc/37/87/13/570378713.db2.gz HLUPORVYMDWWSB-UHFFFAOYSA-N -1 1 383.473 4.430 40 0 GIABMM CN(C(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl)C1CCCC1 ZINC000030856964 570498892 /nfs/dbraw/zinc/49/88/92/570498892.db2.gz PXKBZMCNMZNRGE-UHFFFAOYSA-N -1 1 392.908 4.155 40 0 GIABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)C(C)C)ccc2C)c(C)c1 ZINC000225201098 570555679 /nfs/dbraw/zinc/55/56/79/570555679.db2.gz AOTXOHASLYRZOF-KRWDZBQOSA-N -1 1 388.533 4.187 40 0 GIABMM CCOc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000008286009 570767006 /nfs/dbraw/zinc/76/70/06/570767006.db2.gz CAWMRYBAXMWZHK-UHFFFAOYSA-N -1 1 396.468 4.138 40 0 GIABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1 ZINC000057115524 823250227 /nfs/dbraw/zinc/25/02/27/823250227.db2.gz HAZPTXOWRUGJRZ-UHFFFAOYSA-N -1 1 384.432 4.187 40 0 GIABMM Cc1cccc(C)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000113936150 231023685 /nfs/dbraw/zinc/02/36/85/231023685.db2.gz PQEGQGSGPSNRAC-UHFFFAOYSA-N -1 1 380.469 4.357 40 0 GIABMM O=S(=O)([N-]c1cccc(OC(F)(F)F)c1)c1cccc(Br)c1 ZINC000024429780 203789430 /nfs/dbraw/zinc/78/94/30/203789430.db2.gz LOBIOFZCODYTGK-UHFFFAOYSA-N -1 1 396.184 4.149 40 0 GIABMM O=C(NC1CCCCCC1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000003569893 204014092 /nfs/dbraw/zinc/01/40/92/204014092.db2.gz LNWGYOJUQYZLKF-UHFFFAOYSA-N -1 1 390.480 4.079 40 0 GIABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](C)c3ccccc3)c2)cc1 ZINC000008195869 204265457 /nfs/dbraw/zinc/26/54/57/204265457.db2.gz GQLUEFKTFRKKRT-QGZVFWFLSA-N -1 1 394.496 4.287 40 0 GIABMM CCOC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(Cl)cc2)cc1Cl ZINC000038752113 205037256 /nfs/dbraw/zinc/03/72/56/205037256.db2.gz MEWJXANBRALDLL-UHFFFAOYSA-N -1 1 388.272 4.112 40 0 GIABMM CCc1nnc([N-]c2cncc([C@@H]3CCCN3Cc3cccc(C)c3)n2)s1 ZINC000072376317 205337065 /nfs/dbraw/zinc/33/70/65/205337065.db2.gz QJBIRERNUMAXPL-KRWDZBQOSA-N -1 1 380.521 4.280 40 0 GIABMM CCC[C@@H](C)Nc1ccc(C(=O)OC)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000223413009 206000131 /nfs/dbraw/zinc/00/01/31/206000131.db2.gz SZSKYLWWSBUYAS-OAHLLOKOSA-N -1 1 390.505 4.183 40 0 GIABMM CSc1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223921866 206008380 /nfs/dbraw/zinc/00/83/80/206008380.db2.gz QPWIKIVOOUMOMV-UHFFFAOYSA-N -1 1 398.509 4.462 40 0 GIABMM O=C(NCCC1=CCCCC1)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223919675 206009464 /nfs/dbraw/zinc/00/94/64/206009464.db2.gz OOJNNYPHJCZSCS-UHFFFAOYSA-N -1 1 384.501 4.108 40 0 GIABMM Cc1cc(C(=O)NCCC(C)C)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224006893 206010851 /nfs/dbraw/zinc/01/08/51/206010851.db2.gz IXOWOQQMNXBFLV-UHFFFAOYSA-N -1 1 394.924 4.225 40 0 GIABMM Cc1cccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1 ZINC000224081297 206012037 /nfs/dbraw/zinc/01/20/37/206012037.db2.gz CJEXFHINNLYSPI-UHFFFAOYSA-N -1 1 394.496 4.068 40 0 GIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3C)c2)cc1 ZINC000224037039 206012272 /nfs/dbraw/zinc/01/22/72/206012272.db2.gz HYGQBYSMWAVNKN-UHFFFAOYSA-N -1 1 396.468 4.057 40 0 GIABMM O=C(c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl)N1CCCC1 ZINC000224064702 206012606 /nfs/dbraw/zinc/01/26/06/206012606.db2.gz VIRUNCHXNIANJX-UHFFFAOYSA-N -1 1 399.299 4.030 40 0 GIABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2)c1 ZINC000224955597 206031352 /nfs/dbraw/zinc/03/13/52/206031352.db2.gz SRRHNWBRDNRVNA-UHFFFAOYSA-N -1 1 398.459 4.496 40 0 GIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)C(C)C)c(Cl)c2)cc1 ZINC000225215741 206042610 /nfs/dbraw/zinc/04/26/10/206042610.db2.gz XUVWGUAWEFCNOX-CQSZACIVSA-N -1 1 394.924 4.224 40 0 GIABMM Cc1cncnc1[C@H]1CCCCN1Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000257312734 206178512 /nfs/dbraw/zinc/17/85/12/206178512.db2.gz UPHXDJFVQMGWAI-LJQANCHMSA-N -1 1 377.444 4.470 40 0 GIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)c3ccccc3)cc2C)cc1 ZINC000013670677 525597698 /nfs/dbraw/zinc/59/76/98/525597698.db2.gz SJMNPVYAPFNMGS-UHFFFAOYSA-N -1 1 394.496 4.381 40 0 GIABMM CCC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000409411294 528899698 /nfs/dbraw/zinc/89/96/98/528899698.db2.gz WAWMQEYELUQLAQ-MRXNPFEDSA-N -1 1 388.533 4.331 40 0 GIABMM CCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1 ZINC000408555231 529113315 /nfs/dbraw/zinc/11/33/15/529113315.db2.gz FLDHLIPPQJODGZ-UHFFFAOYSA-N -1 1 388.367 4.075 40 0 GIABMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)NCC(C)C)cc1 ZINC000408584230 529160473 /nfs/dbraw/zinc/16/04/73/529160473.db2.gz NFFJYLIRSNTZIZ-UHFFFAOYSA-N -1 1 389.521 4.136 40 0 GIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC(C)C)c(Cl)c2)cc1 ZINC000020040248 570236964 /nfs/dbraw/zinc/23/69/64/570236964.db2.gz QWEBQBINFMLEAR-UHFFFAOYSA-N -1 1 394.924 4.225 40 0 GIABMM CC(C)c1cccc2sc(NC(=O)C([O-])=CC(=O)c3ccc(F)cc3)nc21 ZINC000102970709 570293783 /nfs/dbraw/zinc/29/37/83/570293783.db2.gz VVCAAYKFKODWQD-UHFFFAOYSA-N -1 1 384.432 4.339 40 0 GIABMM C[C@H]1CCCN(C(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)C1 ZINC000216421486 570301470 /nfs/dbraw/zinc/30/14/70/570301470.db2.gz MWVUOEAYVQWFSG-AWEZNQCLSA-N -1 1 392.908 4.013 40 0 GIABMM O=C(NC1CCCCCCC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000021874279 570316017 /nfs/dbraw/zinc/31/60/17/570316017.db2.gz LSLAPOMBSTTZDN-UHFFFAOYSA-N -1 1 386.517 4.330 40 0 GIABMM CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccccc1 ZINC000022534666 570321331 /nfs/dbraw/zinc/32/13/31/570321331.db2.gz WDGBJWCDEKZOQV-NRFANRHFSA-N -1 1 394.496 4.369 40 0 GIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C3CCCC3)cc2C)cc1 ZINC000030858097 570499312 /nfs/dbraw/zinc/49/93/12/570499312.db2.gz MUWRSUKCLWVBSH-UHFFFAOYSA-N -1 1 386.517 4.119 40 0 GIABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)C(C)C)ccc2C)cc1C ZINC000225200098 570555413 /nfs/dbraw/zinc/55/54/13/570555413.db2.gz YQRQVNXYUGCGIE-QGZVFWFLSA-N -1 1 388.533 4.187 40 0 GIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(F)c3)cc2C)cc1 ZINC000010330552 570569338 /nfs/dbraw/zinc/56/93/38/570569338.db2.gz OQTQQEVZXKVGCB-UHFFFAOYSA-N -1 1 398.459 4.496 40 0 GIABMM Cc1ccc(C(=O)Nc2cccc(F)c2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000006024043 570737082 /nfs/dbraw/zinc/73/70/82/570737082.db2.gz XVIWGRFGBCUNLI-UHFFFAOYSA-N -1 1 384.432 4.187 40 0 GIABMM CCOc1cc(CNn2c(CC)n[n-]c2=S)ccc1OCc1cccs1 ZINC000008339176 570768259 /nfs/dbraw/zinc/76/82/59/570768259.db2.gz AAZBBQHZYXWRKZ-UHFFFAOYSA-N -1 1 390.534 4.286 40 0 GIABMM Cc1nnc(SC(=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)C(=O)[O-])[nH]1 ZINC000006329252 817677549 /nfs/dbraw/zinc/67/75/49/817677549.db2.gz VZHRPZVUFXVDIH-SXGWCWSVSA-N -1 1 388.880 4.392 40 0 GIABMM Cc1nc(SC(=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)C(=O)[O-])n[nH]1 ZINC000006329252 817677555 /nfs/dbraw/zinc/67/75/55/817677555.db2.gz VZHRPZVUFXVDIH-SXGWCWSVSA-N -1 1 388.880 4.392 40 0 GIABMM O=S(=O)(c1ccc(F)c(Cl)c1)c1cnc2cc(F)c(Cl)cc2c1[O-] ZINC000015829403 818374264 /nfs/dbraw/zinc/37/42/64/818374264.db2.gz UZXVDRYVZRKPPK-UHFFFAOYSA-N -1 1 390.194 4.358 40 0 GIABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2F)cc1 ZINC000164606913 823812245 /nfs/dbraw/zinc/81/22/45/823812245.db2.gz HYHJYMFTOYTEQP-UHFFFAOYSA-N -1 1 384.432 4.187 40 0 GIABMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(-c3ccc(Cl)cc3)n[nH]2)c(C)c1 ZINC000408713013 231103159 /nfs/dbraw/zinc/10/31/59/231103159.db2.gz GHLNOEBJQKVQQS-UHFFFAOYSA-N -1 1 375.881 4.456 40 0 GIABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1Cl ZINC000409182199 231175355 /nfs/dbraw/zinc/17/53/55/231175355.db2.gz JFOIHLRGGUSWQY-UHFFFAOYSA-N -1 1 390.848 4.295 40 0 GIABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCC3)ccc2C)c1C ZINC000409380468 231198894 /nfs/dbraw/zinc/19/88/94/231198894.db2.gz FCABQGRCCLVAKS-UHFFFAOYSA-N -1 1 386.517 4.039 40 0 GIABMM Cc1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)c1 ZINC000006402753 204177687 /nfs/dbraw/zinc/17/76/87/204177687.db2.gz SCUKQZAKYFWHSU-UHFFFAOYSA-N -1 1 384.432 4.187 40 0 GIABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCCCCC3)ccc2C)cc1 ZINC000010112941 204330554 /nfs/dbraw/zinc/33/05/54/204330554.db2.gz UKSUVLLKSWFBMF-UHFFFAOYSA-N -1 1 386.517 4.120 40 0 GIABMM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000064476565 205190593 /nfs/dbraw/zinc/19/05/93/205190593.db2.gz JBXYZMHUEMKQBF-UHFFFAOYSA-N -1 1 392.546 4.128 40 0 GIABMM CCCCc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)cc1 ZINC000223831068 206007128 /nfs/dbraw/zinc/00/71/28/206007128.db2.gz JACRPTYBLRBXNW-UHFFFAOYSA-N -1 1 381.881 4.270 40 0 GIABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2ccccc2F)c1 ZINC000223936227 206008807 /nfs/dbraw/zinc/00/88/07/206008807.db2.gz PSVBNBUQTZEOOB-UHFFFAOYSA-N -1 1 384.432 4.187 40 0 GIABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 ZINC000223940517 206009423 /nfs/dbraw/zinc/00/94/23/206009423.db2.gz ZTSNUBSZKKOYAU-UHFFFAOYSA-N -1 1 380.469 4.072 40 0 GIABMM 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GIABMM CC1(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4)OCC[C@]3(C2)[C@H]1NC(=O)c1cncc([O-])c1 ZINC000257264475 570772515 /nfs/dbraw/zinc/77/25/15/570772515.db2.gz LUNODYKGKJDQBG-RWBIRNLKSA-N -1 1 392.499 4.100 40 0 GIABMM CNc1cccc([C@@H]2CCCN2Cc2ccc(-c3ccccc3C(=O)[O-])o2)n1 ZINC000257303370 570778613 /nfs/dbraw/zinc/77/86/13/570778613.db2.gz SGXIAFGQEFMELI-IBGZPJMESA-N -1 1 377.444 4.419 40 0 GIABMM CC(C)COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000000937535 570986247 /nfs/dbraw/zinc/98/62/47/570986247.db2.gz ZJMXZSQTEOWZQK-UHFFFAOYSA-N -1 1 383.469 4.453 40 0 GIABMM