smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@H]2c1ccc([O-])c(Cl)c1 ZINC000261363677 859910420 /nfs/dbraw/zinc/91/04/20/859910420.db2.gz VRLQQVDEJTXOQX-MRXNPFEDSA-O -1 1 387.872 3.580 40 0 GHABMM CSc1ccccc1C(=O)N1CCN([C@H](CCC(=O)[O-])c2ccccc2)CC1 ZINC000408613623 231080698 /nfs/dbraw/zinc/08/06/98/231080698.db2.gz YXSWQTNUCCKUDM-LJQANCHMSA-N -1 1 398.528 3.772 40 0 GHABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)N1CCCC1 ZINC000408559649 231060991 /nfs/dbraw/zinc/06/09/91/231060991.db2.gz AOSPZICMCPDZSA-UHFFFAOYSA-N -1 1 379.869 3.769 40 0 GHABMM O=C([O-])CC[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000408613566 231079421 /nfs/dbraw/zinc/07/94/21/231079421.db2.gz YDEDFQSWZXMGNV-IBGZPJMESA-N -1 1 386.879 3.704 40 0 GHABMM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)c1 ZINC000223428746 206000536 /nfs/dbraw/zinc/00/05/36/206000536.db2.gz LNSGDUMHPMNSJW-UHFFFAOYSA-N -1 1 378.208 3.720 40 0 GHABMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000223965516 206010800 /nfs/dbraw/zinc/01/08/00/206010800.db2.gz ARMABDOYHZUBGT-IQUTYRLHSA-N -1 1 388.464 3.545 40 0 GHABMM CCCCNC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)cc2)ccc1Cl ZINC000224072090 206012315 /nfs/dbraw/zinc/01/23/15/206012315.db2.gz GOBBJGCDROOIAD-UHFFFAOYSA-N -1 1 396.896 3.679 40 0 GHABMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000225429189 206047435 /nfs/dbraw/zinc/04/74/35/206047435.db2.gz FYPVHLQSWUFFKT-UHFFFAOYSA-N -1 1 384.501 3.657 40 0 GHABMM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000408563436 528046872 /nfs/dbraw/zinc/04/68/72/528046872.db2.gz VVFZDINNQLFXCK-UHFFFAOYSA-N -1 1 375.494 3.978 40 0 GHABMM CCCNC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)ccc1C ZINC000408601724 528443670 /nfs/dbraw/zinc/44/36/70/528443670.db2.gz GRTUNDLYVLAOGS-UHFFFAOYSA-N -1 1 380.897 3.897 40 0 GHABMM CCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)ccc1C ZINC000408602218 528444347 /nfs/dbraw/zinc/44/43/47/528444347.db2.gz IJTFZTITICCJDG-UHFFFAOYSA-N -1 1 380.897 3.897 40 0 GHABMM C[C@@H]1CC[C@@H]2C(=CC[C@H](O)C2(C)C)[C@]1(C)Cc1c([O-])cc(CO)c(C=O)c1O ZINC000108227498 560045599 /nfs/dbraw/zinc/04/55/99/560045599.db2.gz KCAICXOYUFVURO-OQAKAONOSA-N -1 1 388.504 3.715 40 0 biogenic,in-vitro GHABMM CC(=O)Nc1ccc(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000001632439 570266421 /nfs/dbraw/zinc/26/64/21/570266421.db2.gz FOLKQFNGSXXVGY-UHFFFAOYSA-N -1 1 394.452 3.677 40 0 GHABMM CCc1ccc(-n2nc3ccc([N-]S(=O)(=O)c4ccccc4)cc3n2)cc1 ZINC000020610153 570271866 /nfs/dbraw/zinc/27/18/66/570271866.db2.gz BKWZWZWATOXVLP-UHFFFAOYSA-N -1 1 378.457 3.784 40 0 GHABMM Cn1c2ccc(S(=O)(=O)[N-]c3ccc4oc5c(c4c3)CCCC5)cc2oc1=O ZINC000012292920 570291666 /nfs/dbraw/zinc/29/16/66/570291666.db2.gz PZSRQOFAXRUGLB-UHFFFAOYSA-N -1 1 398.440 3.557 40 0 GHABMM COc1cc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c(C(C)=O)cc1OC ZINC000223260431 570453744 /nfs/dbraw/zinc/45/37/44/570453744.db2.gz SFWJNRJLMMIGCF-UHFFFAOYSA-N -1 1 377.462 3.632 40 0 GHABMM COc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000009903449 570777077 /nfs/dbraw/zinc/77/70/77/570777077.db2.gz GNHSNRDJLYASLK-UHFFFAOYSA-N -1 1 382.441 3.748 40 0 GHABMM O=C(N[C@@H]1c2ccccc2[C@@H]2CN(Cc3cc(F)ccc3F)C[C@@H]21)C(F)F ZINC000585109630 570937981 /nfs/dbraw/zinc/93/79/81/570937981.db2.gz GRGVZUSNDCJXAK-XYJFISCASA-N -1 1 378.369 3.616 40 0 GHABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)N3CCCCC3)cc2)cc1 ZINC000006024015 856376033 /nfs/dbraw/zinc/37/60/33/856376033.db2.gz ZHSJVEZUKQQLPK-UHFFFAOYSA-N -1 1 386.517 3.741 40 0 GHABMM CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@H]2c1ccc([O-])c(Cl)c1 ZINC000261363676 859910015 /nfs/dbraw/zinc/91/00/15/859910015.db2.gz VRLQQVDEJTXOQX-INIZCTEOSA-O -1 1 387.872 3.580 40 0 GHABMM COc1cccc2c1N(C(=O)CSc1nc(C)cc(=O)[n-]1)C(C)(C)C=C2C ZINC000009938239 204327816 /nfs/dbraw/zinc/32/78/16/204327816.db2.gz FPUYECQAQSJBKV-UHFFFAOYSA-N -1 1 385.489 3.820 40 0 GHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccco3)cc2C)cc1 ZINC000010113030 204330464 /nfs/dbraw/zinc/33/04/64/204330464.db2.gz UFAFVZKATNCLNM-UHFFFAOYSA-N -1 1 384.457 3.627 40 0 GHABMM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000012199937 204382872 /nfs/dbraw/zinc/38/28/72/204382872.db2.gz SPVTUNVTLIVYSH-UHFFFAOYSA-N -1 1 386.473 3.573 40 0 GHABMM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1N1CCCC1=O ZINC000020454761 204720025 /nfs/dbraw/zinc/72/00/25/204720025.db2.gz IBFDQOLWIAVPLO-UHFFFAOYSA-N -1 1 394.880 3.585 40 0 GHABMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)ccc1N1CCCC1=O ZINC000030873501 204900268 /nfs/dbraw/zinc/90/02/68/204900268.db2.gz KZPIZEQPTGSLFC-UHFFFAOYSA-N -1 1 382.844 3.715 40 0 GHABMM CCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000223996365 206009906 /nfs/dbraw/zinc/00/99/06/206009906.db2.gz LSTPTAHQNCNTDB-UHFFFAOYSA-N -1 1 378.519 3.739 40 0 GHABMM O=C([O-])c1ccccc1-c1ccc(CN2CCC[C@H]2c2cc(CO)n[nH]2)cc1 ZINC000257280891 206171140 /nfs/dbraw/zinc/17/11/40/206171140.db2.gz OMVIJHAXTFBTNW-NRFANRHFSA-N -1 1 377.444 3.604 40 0 GHABMM COc1ccc(C)cc1S(=O)(=O)[N-]c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408712915 533407272 /nfs/dbraw/zinc/40/72/72/533407272.db2.gz BELJZYWOKYUCIL-UHFFFAOYSA-N -1 1 377.853 3.848 40 0 GHABMM Cc1ccc(-n2c(C)nc3nc(N4CCC(C)CC4)[n-]c(=O)c3c2=S)cc1 ZINC000040386873 132403751 /nfs/dbraw/zinc/40/37/51/132403751.db2.gz SJDGFGFBNQOEBX-UHFFFAOYSA-N -1 1 381.505 3.691 40 0 GHABMM O=C([O-])[C@H](Cc1cccc(Cl)c1Cl)N1CCN(c2ccccc2)CC1 ZINC000225145801 534528385 /nfs/dbraw/zinc/52/83/85/534528385.db2.gz IWGPVRJOTSIMAH-KRWDZBQOSA-N -1 1 379.287 3.811 40 0 GHABMM CCn1c2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2oc1=O ZINC000019936777 570231806 /nfs/dbraw/zinc/23/18/06/570231806.db2.gz LCLCJTDXCRSZPJ-UHFFFAOYSA-N -1 1 387.244 3.722 40 0 GHABMM CNC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000223289242 570456371 /nfs/dbraw/zinc/45/63/71/570456371.db2.gz RYNQCOCGTFADRL-RUDMXATFSA-N -1 1 385.272 3.553 40 0 GHABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCc4ccccc43)c2)cc1 ZINC000015563602 570897219 /nfs/dbraw/zinc/89/72/19/570897219.db2.gz YNSJNTACXGJWEP-UHFFFAOYSA-N -1 1 392.480 3.999 40 0 GHABMM CCCCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224053283 206011363 /nfs/dbraw/zinc/01/13/63/206011363.db2.gz KQPWOGALPPIBQW-UHFFFAOYSA-N -1 1 380.897 3.979 40 0 GHABMM COc1cc(/C=C2/NC(=S)[N-]C2=O)ccc1OCc1cccc2ccccc21 ZINC000113834522 533472061 /nfs/dbraw/zinc/47/20/61/533472061.db2.gz POHFOXWFIPCBER-WOJGMQOQSA-N -1 1 390.464 3.773 40 0 GHABMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2SC)cc1NC(=O)CC ZINC000408697047 528588654 /nfs/dbraw/zinc/58/86/54/528588654.db2.gz GMRKVOGYQQSBEG-UHFFFAOYSA-N -1 1 394.518 3.957 40 0 GHABMM CCC(CC)C(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](Cc2nc3ccc(F)cc3[nH]2)C1 ZINC000514289740 560031740 /nfs/dbraw/zinc/03/17/40/560031740.db2.gz ZTZCIDFCZUBYQI-GJZGRUSLSA-N -1 1 389.471 3.620 40 0 biogenic,in-vitro GHABMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(Br)cc2)[nH]n1 ZINC000223252272 570453156 /nfs/dbraw/zinc/45/31/56/570453156.db2.gz JHNMCDJEQJFUMC-UHFFFAOYSA-N -1 1 392.278 3.948 40 0 GHABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)c(C)c1 ZINC000013674653 570771804 /nfs/dbraw/zinc/77/18/04/570771804.db2.gz XOLQWKQMGRPJKM-UHFFFAOYSA-N -1 1 398.278 3.735 40 0 GHABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCCc3ccccc3)c2)c1 ZINC000017357582 570946192 /nfs/dbraw/zinc/94/61/92/570946192.db2.gz OBIADYPPUJNRCM-UHFFFAOYSA-N -1 1 394.496 3.768 40 0 GHABMM CCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1 ZINC000107803849 856449423 /nfs/dbraw/zinc/44/94/23/856449423.db2.gz HLUVAWFAXJXSQT-UHFFFAOYSA-N -1 1 399.266 3.818 40 0 GHABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccccc3)C(=O)[O-])n2)c1 ZINC000213370339 856456489 /nfs/dbraw/zinc/45/64/89/856456489.db2.gz ZAOGMRVDSOYBKS-PXNMLYILSA-N -1 1 383.429 3.707 40 0 GHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1C(=O)N1CCCC1 ZINC000408591017 231071097 /nfs/dbraw/zinc/07/10/97/231071097.db2.gz HUTJMUOSQTWKLQ-UHFFFAOYSA-N -1 1 392.908 3.994 40 0 GHABMM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000007405074 204241506 /nfs/dbraw/zinc/24/15/06/204241506.db2.gz RRSNPHOAEBVQCV-UHFFFAOYSA-N -1 1 378.194 3.537 40 0 GHABMM Cc1ccccc1CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223917620 206008572 /nfs/dbraw/zinc/00/85/72/206008572.db2.gz WUHZVKXGEFUSMF-UHFFFAOYSA-N -1 1 380.469 3.726 40 0 GHABMM Cc1ccc2nc(C[C@H]3CN(C(=O)C4CCCC4)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514289097 560033250 /nfs/dbraw/zinc/03/32/50/560033250.db2.gz OJDNJMJWNRZTHO-IRXDYDNUSA-N -1 1 383.492 3.543 40 0 biogenic,in-vitro GHABMM O=C1[N-]C(=O)C(=Cc2ccc(-c3ccc(I)cc3)o2)S1 ZINC000003029896 862126004 /nfs/dbraw/zinc/12/60/04/862126004.db2.gz GJWICEZSGVZKRF-KPKJPENVSA-N -1 1 397.193 3.875 40 0 GHABMM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Br)cc1F ZINC000010301965 856415646 /nfs/dbraw/zinc/41/56/46/856415646.db2.gz LPGJRJRRIUOVEV-UHFFFAOYSA-N -1 1 378.194 3.537 40 0 GHABMM CCc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CCCCC2)c1 ZINC000408624479 529601082 /nfs/dbraw/zinc/60/10/82/529601082.db2.gz QKCAQWWPNJFBKJ-UHFFFAOYSA-N -1 1 386.517 3.984 40 0 GHABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)c(C)c1 ZINC000223464582 206001927 /nfs/dbraw/zinc/00/19/27/206001927.db2.gz XJGHBYUSIRSUAE-UHFFFAOYSA-N -1 1 377.462 3.598 40 0 GHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)c3ccccc3)cc2)cc1 ZINC000223984688 206010967 /nfs/dbraw/zinc/01/09/67/206010967.db2.gz CAFGFDAJBCJGHB-UHFFFAOYSA-N -1 1 396.468 3.773 40 0 GHABMM CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)ccc21 ZINC000225882178 206082567 /nfs/dbraw/zinc/08/25/67/206082567.db2.gz HVPQRAMBCXLSII-UHFFFAOYSA-N -1 1 398.406 3.805 40 0 GHABMM Cc1cc2nc([C@@H](Cc3nc4c(cc(C)cc4C)[nH]3)S(=O)(=O)[O-])[nH]c2c(C)c1 ZINC000255187855 206151319 /nfs/dbraw/zinc/15/13/19/206151319.db2.gz HEOZVUWVMAQUJI-MRXNPFEDSA-N -1 1 398.488 3.844 40 0 GHABMM Cc1cc2nc(C[C@H](c3nc4c(cc(C)cc4C)[nH]3)S(=O)(=O)[O-])[nH]c2c(C)c1 ZINC000255187855 206151323 /nfs/dbraw/zinc/15/13/23/206151323.db2.gz HEOZVUWVMAQUJI-MRXNPFEDSA-N -1 1 398.488 3.844 40 0 GHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1C(=O)NC(C)C ZINC000408596805 534212429 /nfs/dbraw/zinc/21/24/29/534212429.db2.gz SHLGVXUXDNLJFD-UHFFFAOYSA-N -1 1 380.897 3.896 40 0 GHABMM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)ccc1C ZINC000408620740 528226268 /nfs/dbraw/zinc/22/62/68/528226268.db2.gz LIUQXDCETBFJJO-UHFFFAOYSA-N -1 1 386.395 3.564 40 0 GHABMM CCC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)ccc1OC ZINC000408699226 528424430 /nfs/dbraw/zinc/42/44/30/528424430.db2.gz VOLIZUKNHNIANR-UHFFFAOYSA-N -1 1 382.869 3.806 40 0 GHABMM Cc1ccc(S(=O)(=O)[N-]c2cc3nn(-c4ccc(F)cc4)nc3cc2C)cc1 ZINC000020611123 570272065 /nfs/dbraw/zinc/27/20/65/570272065.db2.gz REQKGYWCSJFDEE-UHFFFAOYSA-N -1 1 396.447 3.977 40 0 GHABMM CC(C)[C@@H](NCc1cccc(F)c1)c1cc(=O)n2[n-]c(C3CCOCC3)cc2n1 ZINC000100769459 570277528 /nfs/dbraw/zinc/27/75/28/570277528.db2.gz BJQCOQFQJCHSGD-JOCHJYFZSA-N -1 1 398.482 3.955 40 0 GHABMM CCOc1ccc(CNn2c(=S)[n-]nc2-c2ccccc2OC)cc1OC ZINC000008324758 570767812 /nfs/dbraw/zinc/76/78/12/570767812.db2.gz BRXQOBLPDOAJDI-UHFFFAOYSA-N -1 1 386.477 3.767 40 0 GHABMM O=S(=O)([N-]c1cccc(-c2cn3cccnc3n2)c1)c1ccc(Cl)cc1 ZINC000004033229 839125268 /nfs/dbraw/zinc/12/52/68/839125268.db2.gz IZWOKUYAVQSMKE-UHFFFAOYSA-N -1 1 384.848 3.851 40 0 GHABMM O=C(C1CC1)N1CCc2cc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)ccc21 ZINC000006730401 204195688 /nfs/dbraw/zinc/19/56/88/204195688.db2.gz XBQQGJPWDVUNGD-UHFFFAOYSA-N -1 1 394.855 3.579 40 0 GHABMM CCc1nc2ccc([N-]S(=O)(=O)c3ccc(OC)c(OC)c3)cc2s1 ZINC000022255048 204778079 /nfs/dbraw/zinc/77/80/79/204778079.db2.gz DBKCAVAYQWNRPO-UHFFFAOYSA-N -1 1 378.475 3.677 40 0 GHABMM Cc1ccc(NC(=S)c2c(N)nc(N3c4ccccc4C[C@H]3C)[n-]c2=O)cc1 ZINC000040385602 205062333 /nfs/dbraw/zinc/06/23/33/205062333.db2.gz OFZBEOJUFCEXSZ-CYBMUJFWSA-N -1 1 391.500 3.531 40 0 GHABMM CCCNc1ccc(C(=O)OC)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000223413680 206000258 /nfs/dbraw/zinc/00/02/58/206000258.db2.gz YMRUHXMLNOXHLG-UHFFFAOYSA-N -1 1 382.869 3.749 40 0 GHABMM O=S(=O)(Cc1ccccc1Cl)[N-]Cc1nc(-c2cccc(Cl)c2)no1 ZINC000223627516 206003042 /nfs/dbraw/zinc/00/30/42/206003042.db2.gz YUBYAXPXISLEHZ-UHFFFAOYSA-N -1 1 398.271 3.663 40 0 GHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)(C)C)c(Cl)c2)cc1 ZINC000224020954 206009983 /nfs/dbraw/zinc/00/99/83/206009983.db2.gz POZKQESKFZJKAI-UHFFFAOYSA-N -1 1 396.896 3.678 40 0 GHABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccccc3)ccc2n1Cc1ccccc1 ZINC000225738151 206073051 /nfs/dbraw/zinc/07/30/51/206073051.db2.gz GTKMPJGFCSHZSO-UHFFFAOYSA-N -1 1 396.493 3.912 40 0 GHABMM CSc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCCC3)c2)c1 ZINC000408602199 533028816 /nfs/dbraw/zinc/02/88/16/533028816.db2.gz IHTCFPXATMRFIG-UHFFFAOYSA-N -1 1 390.530 3.754 40 0 GHABMM O=C([O-])CC[C@H](c1ccccc1)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000408605786 534495229 /nfs/dbraw/zinc/49/52/29/534495229.db2.gz GSPZQILRPLGKDM-LJQANCHMSA-N -1 1 386.879 3.704 40 0 GHABMM C[C@H](NC(=O)c1cnc(-c2ccccc2)[n-]c1=O)c1ccc(Br)cc1 ZINC000019937337 570231964 /nfs/dbraw/zinc/23/19/64/570231964.db2.gz LIOLAAAXZNWLJQ-LBPRGKRZSA-N -1 1 398.260 3.690 40 0 GHABMM COc1c([O-])c(OC)c(Br)c(Br)c1Br ZINC000001719012 570267670 /nfs/dbraw/zinc/26/76/70/570267670.db2.gz CEJKHROJXSNGKC-UHFFFAOYSA-N -1 1 390.853 3.697 40 0 GHABMM C=CCOc1ccc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])cc1Br ZINC000008272249 570470133 /nfs/dbraw/zinc/47/01/33/570470133.db2.gz WBFBUBJLMRHTIW-JYRVWZFOSA-N -1 1 396.266 3.658 40 0 GHABMM C=CCOc1ccc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])cc1Br ZINC000008272249 570470135 /nfs/dbraw/zinc/47/01/35/570470135.db2.gz WBFBUBJLMRHTIW-JYRVWZFOSA-N -1 1 396.266 3.658 40 0 GHABMM CCOc1cc(C=C2SC(=O)[N-]C2=O)ccc1OC(=O)c1ccc(F)cc1 ZINC000005464207 570733116 /nfs/dbraw/zinc/73/31/16/570733116.db2.gz QBKKJCOZSPDNEY-MHWRWJLKSA-N -1 1 387.388 3.768 40 0 GHABMM Cc1nnc(SC(=Cc2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C(=O)[O-])[nH]1 ZINC000006329554 570742784 /nfs/dbraw/zinc/74/27/84/570742784.db2.gz UOPLOVCRQFNECK-SXGWCWSVSA-N -1 1 399.432 3.647 40 0 GHABMM 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COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000006269802 204172391 /nfs/dbraw/zinc/17/23/91/204172391.db2.gz PKWRLUDBIWEUGU-UHFFFAOYSA-N -1 1 396.468 3.677 40 0 GHABMM CCOc1cc(C=C2SC(=O)[N-]C2=O)ccc1OC(=O)c1cccc(C)c1 ZINC000006960228 204227952 /nfs/dbraw/zinc/22/79/52/204227952.db2.gz UOGLYMDFBCVKJT-GZTJUZNOSA-N -1 1 383.425 3.937 40 0 GHABMM CCOc1ccc(NC(=O)Cc2sc(Nc3ccc(C)cc3)nc2[O-])cc1 ZINC000007127539 204233675 /nfs/dbraw/zinc/23/36/75/204233675.db2.gz WPVLIEHYDCXZJG-KRWDZBQOSA-N -1 1 383.473 3.832 40 0 GHABMM Cc1ccccc1CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000007977232 204256123 /nfs/dbraw/zinc/25/61/23/204256123.db2.gz AHLZSOWITVCJKX-UHFFFAOYSA-N -1 1 398.459 3.865 40 0 GHABMM CC(C)(C)c1ccc(-c2noc(C[N-]S(=O)(=O)c3cccs3)n2)cc1 ZINC000223602029 206003588 /nfs/dbraw/zinc/00/35/88/206003588.db2.gz PGGRQAULSSNLOF-UHFFFAOYSA-N -1 1 377.491 3.574 40 0 GHABMM CCOc1cc([C@H]2NC[C@H](C(=O)[O-])S2)ccc1OCc1cccc(F)c1 ZINC000408975912 528335708 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COc1ccc(-n2[n-]c3nc(-c4ccc5ccccc5c4)cc(O)c3c2=O)cc1 ZINC000017078267 570917306 /nfs/dbraw/zinc/91/73/06/570917306.db2.gz FECAVGOQQBUUNU-UHFFFAOYSA-N -1 1 383.407 3.836 40 0 GHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1C(=O)NC1CCCCC1 ZINC000408556668 231060406 /nfs/dbraw/zinc/06/04/06/231060406.db2.gz IZSGFPKACKOLKN-UHFFFAOYSA-N -1 1 390.480 3.997 40 0 GHABMM O=C(c1cc2cc([N-]S(=O)(=O)c3ccccc3)ccc2s1)N1CCCC1 ZINC000408713026 231103180 /nfs/dbraw/zinc/10/31/80/231103180.db2.gz HBVVKKHEYXNQGS-UHFFFAOYSA-N -1 1 386.498 3.938 40 0 GHABMM CCc1cccc2c(C=C3SC(=O)[N-]C3=O)cn(CC(=O)NC3CCCC3)c21 ZINC000409136662 529548628 /nfs/dbraw/zinc/54/86/28/529548628.db2.gz YEKINPCAUJEVNC-YVLHZVERSA-N -1 1 397.500 3.586 40 0 GHABMM O=c1cc([C@H]2CCCCN2Cc2c(F)cccc2F)nc(-c2ccccn2)[n-]1 ZINC000019402746 207120860 /nfs/dbraw/zinc/12/08/60/207120860.db2.gz GBFHCASQJBMNJH-LJQANCHMSA-N -1 1 382.414 3.837 40 0 GHABMM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)ccc1Cl ZINC000022527609 207256155 /nfs/dbraw/zinc/25/61/55/207256155.db2.gz GODRLIMHXRCWAE-UHFFFAOYSA-N -1 1 383.853 3.635 40 0 GHABMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1C ZINC000408611452 527024588 /nfs/dbraw/zinc/02/45/88/527024588.db2.gz WHIVFBNYBUMTQP-UHFFFAOYSA-N -1 1 383.267 3.517 40 0 GHABMM CCOc1cc([C@H]2NC[C@@H](C(=O)[O-])S2)ccc1OCc1ccc(F)cc1 ZINC000408980805 528335303 /nfs/dbraw/zinc/33/53/03/528335303.db2.gz XVLDOBITCQCFJL-ROUUACIJSA-N -1 1 377.437 3.592 40 0 GHABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)CC ZINC000408696624 528588174 /nfs/dbraw/zinc/58/81/74/528588174.db2.gz CQNQPCZBJOEXNU-UHFFFAOYSA-N -1 1 382.869 3.888 40 0 GHABMM C[C@@H]1CC[C@@H]2C(=CC[C@@H](O)C2(C)C)[C@@]1(C)Cc1c([O-])cc(CO)c(C=O)c1O ZINC000229777085 560036246 /nfs/dbraw/zinc/03/62/46/560036246.db2.gz KCAICXOYUFVURO-VNJJMSQGSA-N -1 1 388.504 3.715 40 0 biogenic,in-vitro GHABMM CCCCN1C(=S)N=NC1c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000013533952 570247149 /nfs/dbraw/zinc/24/71/49/570247149.db2.gz CTMIXCRGHHVRPI-UHFFFAOYSA-N -1 1 388.518 3.835 40 0 GHABMM CCCCNc1ccc(C(=O)OC)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000223409301 570464465 /nfs/dbraw/zinc/46/44/65/570464465.db2.gz RYBXBQLDTDOXHT-UHFFFAOYSA-N -1 1 376.478 3.794 40 0 GHABMM C[C@H](Sc1nc(N)cc(=O)[n-]1)C(=O)N1c2ccccc2Sc2ccccc21 ZINC000006160600 570470410 /nfs/dbraw/zinc/47/04/10/570470410.db2.gz VSDZSJJHJJMNJQ-NSHDSACASA-N -1 1 396.497 3.662 40 0 GHABMM CC(C)Oc1ccc(CN2CCc3nc4cc(C5CC5)[n-]n4c(=O)c3C2)cc1 ZINC000012220289 570627527 /nfs/dbraw/zinc/62/75/27/570627527.db2.gz VHBRDLXDZFYVQY-UHFFFAOYSA-N -1 1 378.476 3.658 40 0 GHABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2)cc1 ZINC000032585898 570643532 /nfs/dbraw/zinc/64/35/32/570643532.db2.gz RUQDGXOJHXMIDG-UHFFFAOYSA-N -1 1 381.425 3.592 40 0 GHABMM CCOc1cc(C=C2SC(=O)[N-]C2=O)ccc1OC(=O)c1ccc(OC)cc1 ZINC000059272399 570652916 /nfs/dbraw/zinc/65/29/16/570652916.db2.gz XBVDYOURZIGXLQ-BOPFTXTBSA-N -1 1 399.424 3.637 40 0 GHABMM CCOc1cc([C@@H]2NC[C@H](C(=O)[O-])S2)ccc1OCc1ccc(F)cc1 ZINC000408980804 528335334 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3.715 40 0 GHABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NCc2cccc(F)c2)c1 ZINC000224075749 570497211 /nfs/dbraw/zinc/49/72/11/570497211.db2.gz CMXQJJQFZMGBIT-UHFFFAOYSA-N -1 1 398.459 3.865 40 0 GHABMM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)c1 ZINC000224936173 570538679 /nfs/dbraw/zinc/53/86/79/570538679.db2.gz GZPASDKUHGHECD-UHFFFAOYSA-N -1 1 394.880 3.528 40 0 GHABMM CC(=O)c1ccc(Cl)cc1CN1CC[C@H](c2cc3nc(C)cc(=O)n3[n-]2)C1 ZINC000012259122 570631450 /nfs/dbraw/zinc/63/14/50/570631450.db2.gz BGAWASCYYODQBU-AWEZNQCLSA-N -1 1 384.867 3.589 40 0 GHABMM Cc1cc(C(=O)NCC(C)C)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000050534060 570667228 /nfs/dbraw/zinc/66/72/28/570667228.db2.gz GJUZRYYPMHMAMY-UHFFFAOYSA-N -1 1 380.897 3.835 40 0 GHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCCC3)cc2)cc1 ZINC000055650924 570698536 /nfs/dbraw/zinc/69/85/36/570698536.db2.gz YGGMEDORSHCPMB-UHFFFAOYSA-N -1 1 388.489 3.512 40 0 GHABMM CCc1n[n-]c(=S)n1NCc1ccc(OCc2ccccc2F)c(OC)c1 ZINC000008339158 570768300 /nfs/dbraw/zinc/76/83/00/570768300.db2.gz JZVPDGRGYAJWEE-UHFFFAOYSA-N -1 1 388.468 3.973 40 0 GHABMM CSc1ccccc1C(=O)N1CCN([C@@H](CCC(=O)[O-])c2ccccc2)CC1 ZINC000408613622 231081097 /nfs/dbraw/zinc/08/10/97/231081097.db2.gz YXSWQTNUCCKUDM-IBGZPJMESA-N -1 1 398.528 3.772 40 0 GHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1 ZINC000020610380 207207977 /nfs/dbraw/zinc/20/79/77/207207977.db2.gz NGKZRWXGGSVKNU-UHFFFAOYSA-N -1 1 382.420 3.669 40 0 GHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2N2CCN(C)CC2)c(C)c1 ZINC000072193711 136167653 /nfs/dbraw/zinc/16/76/53/136167653.db2.gz AIOMVJJJDCKSNV-UHFFFAOYSA-N -1 1 393.940 3.509 40 0 GHABMM CSc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1NC(=O)C(C)C ZINC000222907954 570431051 /nfs/dbraw/zinc/43/10/51/570431051.db2.gz ZVOYHPDVXFVYMT-UHFFFAOYSA-N -1 1 382.482 3.943 40 0 GHABMM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc3cc(OC)ccc3c2)c1 ZINC000223218682 570450476 /nfs/dbraw/zinc/45/04/76/570450476.db2.gz XMYJHZWJSGZILP-UHFFFAOYSA-N -1 1 385.441 3.744 40 0 GHABMM CC(C)c1ccc(-c2noc(C[N-]S(=O)(=O)Cc3ccccc3F)n2)cc1 ZINC000223633008 570475437 /nfs/dbraw/zinc/47/54/37/570475437.db2.gz WLBLVDSGDGUSHW-UHFFFAOYSA-N -1 1 389.452 3.619 40 0 GHABMM CC(C)CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223976030 570492298 /nfs/dbraw/zinc/49/22/98/570492298.db2.gz YOGPWTRNZAKHRC-UHFFFAOYSA-N -1 1 380.897 3.917 40 0 GHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCc4ccccc43)cc2)cc1 ZINC000010112421 570565471 /nfs/dbraw/zinc/56/54/71/570565471.db2.gz NKPOUICPZSJGAJ-UHFFFAOYSA-N -1 1 392.480 3.999 40 0 GHABMM COc1ccc2nc(Nc3nc(C)c(Cc4ccccc4)c(=O)[n-]3)nc(C)c2c1 ZINC000010325336 570568891 /nfs/dbraw/zinc/56/88/91/570568891.db2.gz LTEAPKOFAISVQE-UHFFFAOYSA-N -1 1 387.443 3.673 40 0 GHABMM CCc1ccc(-n2c(C)nc3nc(N4CCC(C)CC4)[n-]c(=O)c3c2=S)cc1 ZINC000040386877 570598856 /nfs/dbraw/zinc/59/88/56/570598856.db2.gz BKNKKPILEPGUJC-UHFFFAOYSA-N -1 1 395.532 3.945 40 0 GHABMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1 ZINC000012198526 570624077 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ZINC000224087701 570498075 /nfs/dbraw/zinc/49/80/75/570498075.db2.gz HLGUEBCJYCGPEE-UHFFFAOYSA-N -1 1 398.459 3.865 40 0 GHABMM O=C1CCc2cc(S(=O)(=O)[N-]c3ccccc3Cc3ccccc3)ccc2N1 ZINC000007418820 570504667 /nfs/dbraw/zinc/50/46/67/570504667.db2.gz XLDDVTRPHKJSAI-UHFFFAOYSA-N -1 1 392.480 3.963 40 0 GHABMM CCOc1cccc([N-]S(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)c1 ZINC000224253826 570505888 /nfs/dbraw/zinc/50/58/88/570505888.db2.gz KECMKRSSURCQMG-UHFFFAOYSA-N -1 1 380.491 3.566 40 0 GHABMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3C)cc2sc1=O ZINC000225688702 570603415 /nfs/dbraw/zinc/60/34/15/570603415.db2.gz RYUQFBRIVSQLAF-UHFFFAOYSA-N -1 1 382.894 3.846 40 0 GHABMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)c1 ZINC000225708506 570607152 /nfs/dbraw/zinc/60/71/52/570607152.db2.gz OAXCNNCUHMFCIX-UHFFFAOYSA-N -1 1 390.486 3.647 40 0 GHABMM CN(Cc1cccs1)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000057377357 570701664 /nfs/dbraw/zinc/70/16/64/570701664.db2.gz MTWKMWNIICZMHQ-UHFFFAOYSA-N -1 1 386.498 3.821 40 0 GHABMM Cc1ccc(C(=O)NCc2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010333920 856417575 /nfs/dbraw/zinc/41/75/75/856417575.db2.gz DEFOOLHLSHELSD-UHFFFAOYSA-N -1 1 380.469 3.726 40 0 GHABMM Cc1cc(=O)[n-]c(SCC(=O)Nc2ccc(Br)cc2Cl)n1 ZINC000408542164 231054774 /nfs/dbraw/zinc/05/47/74/231054774.db2.gz HRBCFHSNYZAXTI-UHFFFAOYSA-N -1 1 388.674 3.637 40 0 GHABMM CCc1n[n-]c(=S)n1NCc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000008339376 529698307 /nfs/dbraw/zinc/69/83/07/529698307.db2.gz IZHJUJMNPPDOFB-UHFFFAOYSA-N -1 1 388.468 3.973 40 0 GHABMM CCOC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000409120407 528847496 /nfs/dbraw/zinc/84/74/96/528847496.db2.gz VTYZPYNEKSLYEE-UHFFFAOYSA-N -1 1 385.441 3.583 40 0 GHABMM CCNC(=O)c1[nH]nc(-c2cc(Cl)c([O-])cc2O)c1-c1ccc(OC)cc1 ZINC000004617893 570388085 /nfs/dbraw/zinc/38/80/85/570388085.db2.gz HUNAOTXNHVALTN-UHFFFAOYSA-N -1 1 387.823 3.567 40 0 in-vivo GHABMM COC(=O)c1ccc(NCC(C)C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000223409386 570464304 /nfs/dbraw/zinc/46/43/04/570464304.db2.gz HYCHGRPWBKDWCT-UHFFFAOYSA-N -1 1 376.478 3.650 40 0 GHABMM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c1 ZINC000223661369 570477605 /nfs/dbraw/zinc/47/76/05/570477605.db2.gz XGDZPZVDTATTLY-UHFFFAOYSA-N -1 1 389.473 3.686 40 0 GHABMM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)c(C)c1 ZINC000224015571 570494582 /nfs/dbraw/zinc/49/45/82/570494582.db2.gz IGHGQOVTBVMCRV-UHFFFAOYSA-N -1 1 390.505 3.723 40 0 GHABMM CC[C@@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)cc2)ccc1Cl ZINC000224068377 570496900 /nfs/dbraw/zinc/49/69/00/570496900.db2.gz DUCDWKMFMAQWOF-GFCCVEGCSA-N -1 1 396.896 3.678 40 0 GHABMM CN(Cc1ccccc1F)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000008244445 570525068 /nfs/dbraw/zinc/52/50/68/570525068.db2.gz ICDXDMMDMOYPED-UHFFFAOYSA-N -1 1 398.459 3.899 40 0 GHABMM O=C(C1CC1)N1CCc2cc(S(=O)(=O)[N-]c3cccc4ccccc43)ccc21 ZINC000224967782 570540395 /nfs/dbraw/zinc/54/03/95/570540395.db2.gz AUVVVMQVOWZOJG-UHFFFAOYSA-N -1 1 392.480 3.940 40 0 GHABMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)ccc1C ZINC000225175214 570554042 /nfs/dbraw/zinc/55/40/42/570554042.db2.gz UIIMDMYRJPKLIT-UHFFFAOYSA-N -1 1 396.468 3.568 40 0 GHABMM CCCn1c2ccc(S(=O)(=O)[N-]c3cccc(SC)c3)cc2sc1=O ZINC000225724709 570609179 /nfs/dbraw/zinc/60/91/79/570609179.db2.gz QXLPEEPOIFSJCH-UHFFFAOYSA-N -1 1 394.543 3.996 40 0 GHABMM CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@H]2c1cccc([O-])c1Cl ZINC000261363391 570788745 /nfs/dbraw/zinc/78/87/45/570788745.db2.gz HCTBSNYFQMXLCN-INIZCTEOSA-O -1 1 387.872 3.580 40 0 GHABMM C=CCOc1ccc(Br)cc1C=C(Sc1nnc(C)[nH]1)C(=O)[O-] ZINC000008272226 856400749 /nfs/dbraw/zinc/40/07/49/856400749.db2.gz UDLAYPRGUURZOL-JYRVWZFOSA-N -1 1 396.266 3.658 40 0 GHABMM C=CCOc1ccc(Br)cc1C=C(Sc1n[nH]c(C)n1)C(=O)[O-] ZINC000008272226 856400751 /nfs/dbraw/zinc/40/07/51/856400751.db2.gz UDLAYPRGUURZOL-JYRVWZFOSA-N -1 1 396.266 3.658 40 0 GHABMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000022528944 207256765 /nfs/dbraw/zinc/25/67/65/207256765.db2.gz VJXOLTHRGNTKLE-CYBMUJFWSA-N -1 1 380.897 3.978 40 0 GHABMM CCCCOC(=O)c1cc(NC(=O)CSc2nccc(=O)[n-]2)ccc1Cl ZINC000408544275 528565066 /nfs/dbraw/zinc/56/50/66/528565066.db2.gz DRALNPIEGLULMH-UHFFFAOYSA-N -1 1 395.868 3.523 40 0 GHABMM Cc1ccc2nc(C[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514289070 560033268 /nfs/dbraw/zinc/03/32/68/560033268.db2.gz NDUKMXGMEWUCCA-ROUUACIJSA-N -1 1 391.471 3.667 40 0 biogenic,in-vitro GHABMM COc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3C)n[nH]2)cc1Cl ZINC000223241613 570452189 /nfs/dbraw/zinc/45/21/89/570452189.db2.gz RFCGTVKOZQUUOG-UHFFFAOYSA-N -1 1 377.853 3.848 40 0 GHABMM O=C(C[C@](O)(c1ccccc1)c1ccc(Cl)cc1)[N-]C(=O)c1ccccc1O ZINC000006575667 570483923 /nfs/dbraw/zinc/48/39/23/570483923.db2.gz DDEPSTRGUUWAKZ-QFIPXVFZSA-N -1 1 395.842 3.628 40 0 GHABMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)ccc1Cl ZINC000223830647 570486058 /nfs/dbraw/zinc/48/60/58/570486058.db2.gz RJSILOIPIBTKDO-UHFFFAOYSA-N -1 1 393.770 3.946 40 0 GHABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)c2)cc1 ZINC000223954810 570491826 /nfs/dbraw/zinc/49/18/26/570491826.db2.gz SBQMISHGIQTRQK-RZQQEMMASA-N -1 1 384.501 3.714 40 0 GHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC(C)C)cc2C)cc1 ZINC000224014118 570494526 /nfs/dbraw/zinc/49/45/26/570494526.db2.gz MIJDGRITGPULDR-UHFFFAOYSA-N -1 1 390.505 3.580 40 0 GHABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)c1 ZINC000224540080 570517247 /nfs/dbraw/zinc/51/72/47/570517247.db2.gz BYSQYXXMJZQZAK-UHFFFAOYSA-N -1 1 388.470 3.810 40 0 GHABMM O=C(NC1CC1)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl ZINC000055639467 570698412 /nfs/dbraw/zinc/69/84/12/570698412.db2.gz OYJIPWCGJWRHQS-UHFFFAOYSA-N -1 1 385.272 3.686 40 0 GHABMM O=C(c1ncccc1[O-])N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 ZINC000257243463 570769081 /nfs/dbraw/zinc/76/90/81/570769081.db2.gz IHBSBAJMEJBKCP-HNNXBMFYSA-N -1 1 381.407 3.525 40 0 GHABMM C[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000010358503 570789760 /nfs/dbraw/zinc/78/97/60/570789760.db2.gz PXHNAHFLXKEGPS-MRXNPFEDSA-N -1 1 380.469 3.978 40 0 GHABMM Cc1cc(C(=O)NCCc2ccccc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010314479 856415988 /nfs/dbraw/zinc/41/59/88/856415988.db2.gz ZWLVSQCGIMRZPF-UHFFFAOYSA-N -1 1 394.496 3.768 40 0 GHABMM O=S(=O)(Cc1ccccc1Cl)[N-]Cc1nc(-c2ccccc2Cl)no1 ZINC000169884513 883343200 /nfs/dbraw/zinc/34/32/00/883343200.db2.gz XNYOLOKUTHZALS-UHFFFAOYSA-N -1 1 398.271 3.663 40 0 GHABMM Cc1cccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000223923719 211848273 /nfs/dbraw/zinc/84/82/73/211848273.db2.gz SKUPXGCRZIWPLQ-UHFFFAOYSA-N -1 1 380.469 3.726 40 0 GHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1C(=O)N1CCCC1 ZINC000408609440 534212844 /nfs/dbraw/zinc/21/28/44/534212844.db2.gz SZBANVOFNVFFKZ-UHFFFAOYSA-N -1 1 396.871 3.824 40 0 GHABMM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000408561560 528047533 /nfs/dbraw/zinc/04/75/33/528047533.db2.gz JQMQLYSNVFGABT-UHFFFAOYSA-N -1 1 375.494 3.978 40 0 GHABMM O=C(Nc1cccnc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000216467212 570302116 /nfs/dbraw/zinc/30/21/16/570302116.db2.gz LLGANCOCCTYTFO-UHFFFAOYSA-N -1 1 387.848 3.788 40 0 GHABMM O=C(NCCCc1ccccc1)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223922555 570490211 /nfs/dbraw/zinc/49/02/11/570490211.db2.gz CPRNTXPOGLBAOH-UHFFFAOYSA-N -1 1 394.496 3.850 40 0 GHABMM Cc1cc(C(=O)N(C)Cc2ccco2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000224089206 570498150 /nfs/dbraw/zinc/49/81/50/570498150.db2.gz YLKATXPMTXMZNG-UHFFFAOYSA-N -1 1 384.457 3.661 40 0 GHABMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000057121135 570701155 /nfs/dbraw/zinc/70/11/55/570701155.db2.gz LVYJPTKNDNVDSX-UHFFFAOYSA-N -1 1 387.288 3.934 40 0 GHABMM COc1cccc(CNn2cn[n-]c2=S)c1OCc1ccc(Cl)cc1 ZINC000008495336 570769460 /nfs/dbraw/zinc/76/94/60/570769460.db2.gz FIGDQWOLOVPKAI-UHFFFAOYSA-N -1 1 376.869 3.925 40 0 GHABMM Cc1ccc(C(=O)N2CCc3ccccc32)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000010112423 570782333 /nfs/dbraw/zinc/78/23/33/570782333.db2.gz GRGSMWMDFDFEKR-UHFFFAOYSA-N -1 1 392.480 3.999 40 0 GHABMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)ccc21 ZINC000004884967 842847524 /nfs/dbraw/zinc/84/75/24/842847524.db2.gz HFCNVIGCAVEVOF-UHFFFAOYSA-N -1 1 398.406 3.805 40 0 GHABMM CSc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCC(C)C)c1 ZINC000408588480 231069641 /nfs/dbraw/zinc/06/96/41/231069641.db2.gz CWLFFZWKMGSLGY-UHFFFAOYSA-N -1 1 392.546 3.904 40 0 GHABMM O=S(=O)([N-]c1ccc2c(c1)OCCO2)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000001465414 212063144 /nfs/dbraw/zinc/06/31/44/212063144.db2.gz ZDZNZXVONIKULP-UHFFFAOYSA-N -1 1 393.770 3.931 40 0 GHABMM CSc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC(C)C)c2)c1 ZINC000408612025 533028080 /nfs/dbraw/zinc/02/80/80/533028080.db2.gz XYUXGFXAVMADBF-UHFFFAOYSA-N -1 1 378.519 3.656 40 0 GHABMM CSc1ccccc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 ZINC000020460571 210338365 /nfs/dbraw/zinc/33/83/65/210338365.db2.gz WQFAYOLVNOAASP-UHFFFAOYSA-N -1 1 376.503 3.645 40 0 GHABMM CC(C)CCNC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020454619 210336549 /nfs/dbraw/zinc/33/65/49/210336549.db2.gz CDURXIJPHRVBGJ-UHFFFAOYSA-N -1 1 380.897 3.917 40 0 GHABMM CC(C)CNC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000408583820 528050259 /nfs/dbraw/zinc/05/02/59/528050259.db2.gz KPJBCAQHMCKLJO-UHFFFAOYSA-N -1 1 381.885 3.918 40 0 GHABMM CCOc1cc(/C=C2/NC(=S)[N-]C2=O)ccc1OCc1ccccc1Cl ZINC000113830379 528194814 /nfs/dbraw/zinc/19/48/14/528194814.db2.gz DODWJTNPDFTFEJ-OQLLNIDSSA-N -1 1 388.876 3.663 40 0 GHABMM CN(Cc1cccc(F)c1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000224074160 570497185 /nfs/dbraw/zinc/49/71/85/570497185.db2.gz YOXSBBZXMYFWML-UHFFFAOYSA-N -1 1 398.459 3.899 40 0 GHABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCC(C)CC3)ccc2C)cc1 ZINC000010112940 570565518 /nfs/dbraw/zinc/56/55/18/570565518.db2.gz MAMSWRIGVQFDGE-UHFFFAOYSA-N -1 1 386.517 3.976 40 0 GHABMM C[C@@H]1Cc2ccccc2N1c1nc2ncn(-c3ccccc3)c(=S)c2c(=O)[n-]1 ZINC000040385758 570598932 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Cc1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000000826180 570378108 /nfs/dbraw/zinc/37/81/08/570378108.db2.gz LLOZRPLTQZURQF-UHFFFAOYSA-N -1 1 392.436 3.596 40 0 GHABMM CSc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000225460097 570576636 /nfs/dbraw/zinc/57/66/36/570576636.db2.gz FGVMIJQZZBBVLO-UHFFFAOYSA-N -1 1 388.514 3.508 40 0 GHABMM O=C(CSc1nccc(=O)[n-]1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000006161205 856376670 /nfs/dbraw/zinc/37/66/70/856376670.db2.gz KKQHECJGRZWKHJ-UHFFFAOYSA-N -1 1 395.528 3.969 40 0 GHABMM O=C(CN1C(=O)S/C(=C/c2ccc([O-])c(Cl)c2)C1=O)Nc1ccccc1 ZINC000214511847 856457575 /nfs/dbraw/zinc/45/75/75/856457575.db2.gz ASNTUYBOWGLXGN-OQLLNIDSSA-N -1 1 388.832 3.721 40 0 GHABMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(Oc4ccccc4)cc3)cc2o1 ZINC000019936389 210308402 /nfs/dbraw/zinc/30/84/02/210308402.db2.gz REBQYLMXKPVZNS-UHFFFAOYSA-N -1 1 382.397 3.714 40 0 GHABMM COc1cc(C=C2SC(=O)[N-]C2=O)ccc1OC(=O)c1cccc(Cl)c1 ZINC000408918625 533473312 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CSc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O ZINC000007323485 570502818 /nfs/dbraw/zinc/50/28/18/570502818.db2.gz UXUYRMQWMTUXDI-UHFFFAOYSA-N -1 1 376.503 3.508 40 0 GHABMM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1C(=O)NC(C)C ZINC000010008997 570564670 /nfs/dbraw/zinc/56/46/70/570564670.db2.gz BZKDRLXBFADQQU-UHFFFAOYSA-N -1 1 396.896 3.596 40 0 GHABMM COc1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000047156110 570653242 /nfs/dbraw/zinc/65/32/42/570653242.db2.gz IBPGLZNSCHLRKN-UHFFFAOYSA-N -1 1 382.441 3.748 40 0 GHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccccc3)c2)cc1 ZINC000005184704 570731222 /nfs/dbraw/zinc/73/12/22/570731222.db2.gz DNWRYODLIPNROQ-UHFFFAOYSA-N -1 1 380.469 3.726 40 0 GHABMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000064476971 570754517 /nfs/dbraw/zinc/75/45/17/570754517.db2.gz ATOTZOGSBXUAME-CYBMUJFWSA-N -1 1 378.519 3.738 40 0 GHABMM Cc1cc(C=C2NC(=O)NC2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000035339499 856440522 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Cc1cc(C(=O)NCc2ccccc2F)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000224087626 570497990 /nfs/dbraw/zinc/49/79/90/570497990.db2.gz YWJJQNLOSHAWBB-UHFFFAOYSA-N -1 1 398.459 3.865 40 0 GHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3cccc(F)c3)c2)cc1 ZINC000224095534 570498415 /nfs/dbraw/zinc/49/84/15/570498415.db2.gz VKPFWUFRCGVJIJ-UHFFFAOYSA-N -1 1 398.459 3.865 40 0 GHABMM CCn1c2ccc(S(=O)(=O)[N-]c3cccc(OC(C)C)c3)cc2sc1=O ZINC000225694383 570604522 /nfs/dbraw/zinc/60/45/22/570604522.db2.gz MQOJGINCCMOBIN-UHFFFAOYSA-N -1 1 392.502 3.671 40 0 GHABMM COc1cc(CN2CCCC[C@H]2c2cc3nc(C)c(C)c(=O)n3[n-]2)cc(OC)c1 ZINC000012337790 570645140 /nfs/dbraw/zinc/64/51/40/570645140.db2.gz AWLZJVCASGOTKG-FQEVSTJZSA-N -1 1 396.491 3.796 40 0 GHABMM COC(=O)c1cccc(Cn2cc(C=C3SC(=O)[N-]C3=O)c3ccccc32)c1 ZINC000033732163 570646279 /nfs/dbraw/zinc/64/62/79/570646279.db2.gz HCANHBUTXQPLHE-VCHYOVAHSA-N -1 1 392.436 3.800 40 0 GHABMM Cc1ccc(C(=O)NCCc2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010315234 570788317 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O=C(NCc1ccco1)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224029973 211849070 /nfs/dbraw/zinc/84/90/70/211849070.db2.gz KFRUJKBZQUOXRC-UHFFFAOYSA-N -1 1 390.848 3.664 40 0 GHABMM O=C(NC(c1ccccc1)c1ccccc1)c1cnc(-c2ccccc2)[n-]c1=O ZINC000019937326 210309512 /nfs/dbraw/zinc/30/95/12/210309512.db2.gz AWUMQRMFISWDMM-UHFFFAOYSA-N -1 1 381.435 3.956 40 0 GHABMM O=C(CSc1nccc(=O)[n-]1)Nc1ccc(Br)c2ccccc12 ZINC000408545684 534675829 /nfs/dbraw/zinc/67/58/29/534675829.db2.gz ZXMZFGPWXRAEOO-UHFFFAOYSA-N -1 1 390.262 3.829 40 0 GHABMM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1 ZINC000408560837 528047475 /nfs/dbraw/zinc/04/74/75/528047475.db2.gz FFOSCQSLYIKNSS-UHFFFAOYSA-N -1 1 375.494 3.978 40 0 GHABMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1NC(=O)CC ZINC000408698250 528589587 /nfs/dbraw/zinc/58/95/87/528589587.db2.gz OFPOSCPQHGVIDP-UHFFFAOYSA-N -1 1 382.869 3.888 40 0 GHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1C(=O)N1CCCCC1 ZINC000007604448 570429511 /nfs/dbraw/zinc/42/95/11/570429511.db2.gz IFOSSJGIVFYJRV-UHFFFAOYSA-N -1 1 376.453 3.561 40 0 GHABMM CNC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000223289302 570456340 /nfs/dbraw/zinc/45/63/40/570456340.db2.gz CXLVGBVYFSPIKF-QPJJXVBHSA-N -1 1 385.272 3.553 40 0 GHABMM CCn1c2cc(C)c(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2oc1=O ZINC000223354530 570461265 /nfs/dbraw/zinc/46/12/65/570461265.db2.gz YQNHSQBRBLKBDZ-UHFFFAOYSA-N -1 1 380.853 3.685 40 0 GHABMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)ccc1Cl ZINC000223828416 570485773 /nfs/dbraw/zinc/48/57/73/570485773.db2.gz CSXDAQPQOBPVKA-UHFFFAOYSA-N -1 1 390.244 3.589 40 0 GHABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCCc3ccco3)c2)cc1 ZINC000223960038 570491815 /nfs/dbraw/zinc/49/18/15/570491815.db2.gz YJNOLNBLARYQNU-UHFFFAOYSA-N -1 1 398.484 3.751 40 0 GHABMM O=C(NCc1ccc(F)cc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000008033529 570521406 /nfs/dbraw/zinc/52/14/06/570521406.db2.gz YGIFNMULGHNSKU-UHFFFAOYSA-N -1 1 384.432 3.557 40 0 GHABMM O=C([O-])Cc1ccc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)cc1 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GHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1C(=O)NCC(C)C ZINC000408581757 231067105 /nfs/dbraw/zinc/06/71/05/231067105.db2.gz AHOTZHVYNZPWQN-UHFFFAOYSA-N -1 1 380.897 3.835 40 0 GHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1C(=O)N1CCCC1 ZINC000408596222 231073261 /nfs/dbraw/zinc/07/32/61/231073261.db2.gz RTZSCWIRACBUPM-UHFFFAOYSA-N -1 1 378.881 3.685 40 0 GHABMM Cc1cc2c(cc1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1)oc(=O)n2C ZINC000223335584 222629714 /nfs/dbraw/zinc/62/97/14/222629714.db2.gz NYHSQYKBQRUSCY-UHFFFAOYSA-N -1 1 387.244 3.548 40 0 GHABMM O=C(NCCc1ccc(F)cc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000008033523 221023954 /nfs/dbraw/zinc/02/39/54/221023954.db2.gz HPBQNYXIWNTEFN-UHFFFAOYSA-N -1 1 398.459 3.599 40 0 GHABMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000070776048 222176733 /nfs/dbraw/zinc/17/67/33/222176733.db2.gz WBNNEVBNSVZMHQ-ZDUSSCGKSA-N -1 1 380.897 3.978 40 0 GHABMM CCc1nnc([N-]c2cccc([C@H]3CCCN3C(=O)c3ccccn3)n2)s1 ZINC000072375218 222242606 /nfs/dbraw/zinc/24/26/06/222242606.db2.gz AILRJZROVYWZCA-OAHLLOKOSA-N -1 1 380.477 3.611 40 0 GHABMM O=C([O-])CC[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000408613567 534495091 /nfs/dbraw/zinc/49/50/91/534495091.db2.gz YDEDFQSWZXMGNV-LJQANCHMSA-N -1 1 386.879 3.704 40 0 GHABMM COCc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1 ZINC000025335457 570411386 /nfs/dbraw/zinc/41/13/86/570411386.db2.gz LPTDPBXBTBOYER-UHFFFAOYSA-N -1 1 396.468 3.886 40 0 GHABMM CNc1cncc([C@H]2CCCN2Cc2ccc(-c3ccccc3C(=O)[O-])o2)n1 ZINC000257219366 570762546 /nfs/dbraw/zinc/76/25/46/570762546.db2.gz DGNUTEVKBVLYBA-GOSISDBHSA-N -1 1 378.432 3.814 40 0 GHABMM CC(C)N(C(=O)CN1C(=O)S/C(=C\c2ccc([O-])c(Cl)c2)C1=O)C(C)C ZINC000006327458 856378130 /nfs/dbraw/zinc/37/81/30/856378130.db2.gz AWJZLYPWJVJVQY-NVNXTCNLSA-N -1 1 396.896 3.727 40 0 GHABMM Cc1[nH]n(-c2ccccc2)c(=O)c1C=C(Sc1nc2ccccc2o1)C(=O)[O-] ZINC000211513018 856456167 /nfs/dbraw/zinc/45/61/67/856456167.db2.gz VWGIZPYUXXYGPL-MPMPPSQCSA-N -1 1 393.424 3.927 40 0 GHABMM Cc1cc(=O)[n-]c(SCC(=O)Nc2cc(C)c(C)cc2Br)n1 ZINC000408545233 231055788 /nfs/dbraw/zinc/05/57/88/231055788.db2.gz WVXOIPASZZFGOJ-UHFFFAOYSA-N -1 1 382.283 3.601 40 0 GHABMM CN(Cc1ccccc1F)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000224074086 222649823 /nfs/dbraw/zinc/64/98/23/222649823.db2.gz ZCTXULYUJOFMPN-UHFFFAOYSA-N -1 1 398.459 3.899 40 0 GHABMM CN(Cc1cccs1)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000018081733 221387577 /nfs/dbraw/zinc/38/75/77/221387577.db2.gz FZAAAANZYUBUAY-UHFFFAOYSA-N -1 1 386.498 3.821 40 0 GHABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(C)C)cc2)cc1 ZINC000064476493 222072055 /nfs/dbraw/zinc/07/20/55/222072055.db2.gz CVJYJDLUEDGRQO-UHFFFAOYSA-N -1 1 378.519 3.595 40 0 GHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C(=O)N1CCCC1 ZINC000408590465 534213131 /nfs/dbraw/zinc/21/31/31/534213131.db2.gz GYMQRCWJHOBXGY-UHFFFAOYSA-N -1 1 378.881 3.685 40 0 GHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NC(C)(C)C)c2)cc1 ZINC000020492681 570263377 /nfs/dbraw/zinc/26/33/77/570263377.db2.gz GYGWZWOYIOHRFX-UHFFFAOYSA-N -1 1 380.897 3.978 40 0 GHABMM CC(C)[C@H](NCc1cccc(F)c1)c1cc(=O)n2[n-]c(C3CCOCC3)cc2n1 ZINC000100769458 570277520 /nfs/dbraw/zinc/27/75/20/570277520.db2.gz BJQCOQFQJCHSGD-QFIPXVFZSA-N -1 1 398.482 3.955 40 0 GHABMM CC(C)[C@@H](NCc1ccccc1F)c1cc(=O)n2[n-]c(C3CCOCC3)cc2n1 ZINC000100769445 570277539 /nfs/dbraw/zinc/27/75/39/570277539.db2.gz VKBOJYGVADTPBM-JOCHJYFZSA-N -1 1 398.482 3.955 40 0 GHABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3C[C@H]4CC[C@@H]3C4)c2)cc1 ZINC000223954850 570491971 /nfs/dbraw/zinc/49/19/71/570491971.db2.gz SBQMISHGIQTRQK-YRNRMSPPSA-N -1 1 384.501 3.714 40 0 GHABMM CC[C@@H](C)NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224047883 570496369 /nfs/dbraw/zinc/49/63/69/570496369.db2.gz UHDMZPUZNDZAII-CYBMUJFWSA-N -1 1 380.897 3.978 40 0 GHABMM CC(C)[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000225215612 570556984 /nfs/dbraw/zinc/55/69/84/570556984.db2.gz PUQJTCNRBWBCHF-CYBMUJFWSA-N -1 1 380.897 3.915 40 0 GHABMM Cc1cc(S(=O)(=O)[N-]c2ccc(I)cc2)ccc1F ZINC000041091253 570615117 /nfs/dbraw/zinc/61/51/17/570615117.db2.gz YCJBHTUGHKTVRK-UHFFFAOYSA-N -1 1 391.205 3.540 40 0 GHABMM COc1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000005184639 570731087 /nfs/dbraw/zinc/73/10/87/570731087.db2.gz DJSWSYZGYRXTON-UHFFFAOYSA-N -1 1 382.441 3.748 40 0 GHABMM COc1ccc(COc2ccc(C=C(Sc3nnc(C)[nH]3)C(=O)[O-])cc2)cc1 ZINC000006588259 856381766 /nfs/dbraw/zinc/38/17/66/856381766.db2.gz HWWZLPMOGIHTIF-WQRHYEAKSA-N -1 1 397.456 3.919 40 0 GHABMM COc1ccc(COc2ccc(C=C(Sc3n[nH]c(C)n3)C(=O)[O-])cc2)cc1 ZINC000006588259 856381779 /nfs/dbraw/zinc/38/17/79/856381779.db2.gz HWWZLPMOGIHTIF-WQRHYEAKSA-N -1 1 397.456 3.919 40 0 GHABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 ZINC000005598763 220886311 /nfs/dbraw/zinc/88/63/11/220886311.db2.gz XKDSQWGLJVKDKY-UHFFFAOYSA-N -1 1 382.441 3.748 40 0 GHABMM CCC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2C)ccc1OC ZINC000408699558 528424418 /nfs/dbraw/zinc/42/44/18/528424418.db2.gz XVIWYSSZOJPWLB-UHFFFAOYSA-N -1 1 382.869 3.806 40 0 GHABMM CCC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc3ccccc32)ccc1OC ZINC000408699109 528425211 /nfs/dbraw/zinc/42/52/11/528425211.db2.gz UTMCHCRDOOXNQW-UHFFFAOYSA-N -1 1 384.457 3.998 40 0 GHABMM Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000020104499 570239742 /nfs/dbraw/zinc/23/97/42/570239742.db2.gz AQKQUHCGXUCAAB-UHFFFAOYSA-N -1 1 380.469 3.977 40 0 GHABMM COC(=O)c1ccc(NC(C)C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000223413759 570465014 /nfs/dbraw/zinc/46/50/14/570465014.db2.gz RXWJVADEUZCZCL-UHFFFAOYSA-N -1 1 382.869 3.748 40 0 GHABMM O=C(NCc1ccccc1F)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000224073035 570497207 /nfs/dbraw/zinc/49/72/07/570497207.db2.gz OGDCHRGFSYTQFR-UHFFFAOYSA-N -1 1 384.432 3.557 40 0 GHABMM CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)ccc21 ZINC000224073009 570497231 /nfs/dbraw/zinc/49/72/31/570497231.db2.gz KMBDIOJVSZCFPH-UHFFFAOYSA-N -1 1 378.881 3.748 40 0 GHABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccco2)c1 ZINC000224077250 570497259 /nfs/dbraw/zinc/49/72/59/570497259.db2.gz JVSXKWOLYIDLHY-UHFFFAOYSA-N -1 1 384.457 3.661 40 0 GHABMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000224243020 570505425 /nfs/dbraw/zinc/50/54/25/570505425.db2.gz SXCVTGDSNCGFHS-UHFFFAOYSA-N -1 1 390.892 3.748 40 0 GHABMM CCCn1c2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2sc1=O ZINC000225721834 570608812 /nfs/dbraw/zinc/60/88/12/570608812.db2.gz ZRGJIITVYQNPQN-UHFFFAOYSA-N -1 1 376.503 3.891 40 0 GHABMM CCSc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O ZINC000055648952 570698352 /nfs/dbraw/zinc/69/83/52/570698352.db2.gz CKZSYULBDYKYHP-UHFFFAOYSA-N -1 1 390.530 3.899 40 0 GHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccnc3)cc2C)cc1 ZINC000013679643 570772952 /nfs/dbraw/zinc/77/29/52/570772952.db2.gz WELSIXMTHRCVEF-UHFFFAOYSA-N -1 1 381.457 3.752 40 0 GHABMM Cc1cc(=O)[n-]c(SCC(=O)Nc2ccc(Br)c(Cl)c2)n1 ZINC000408543685 231056043 /nfs/dbraw/zinc/05/60/43/231056043.db2.gz QBTHCTBEOCXOFL-UHFFFAOYSA-N -1 1 388.674 3.637 40 0 GHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1C(=O)NC(C)C ZINC000408596132 231072953 /nfs/dbraw/zinc/07/29/53/231072953.db2.gz RHJVHKAIRRGSPR-UHFFFAOYSA-N -1 1 380.897 3.896 40 0 GHABMM O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000223965567 222648299 /nfs/dbraw/zinc/64/82/99/222648299.db2.gz ARMABDOYHZUBGT-KSMMKXTCSA-N -1 1 388.464 3.545 40 0 GHABMM C[C@@H]1CC[C@@H]2C(=CC[C@@H](O)C2(C)C)[C@]1(C)Cc1c([O-])cc(CO)c(C=O)c1O ZINC000252581666 212135035 /nfs/dbraw/zinc/13/50/35/212135035.db2.gz KCAICXOYUFVURO-SYQJLUBHSA-N -1 1 388.504 3.715 40 0 biogenic,in-vitro GHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)Cc3ccco3)c2)cc1 ZINC000015617807 221337183 /nfs/dbraw/zinc/33/71/83/221337183.db2.gz DNZPPOLTXONPAH-UHFFFAOYSA-N -1 1 384.457 3.661 40 0 GHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1C(=O)NCC(C)C ZINC000408586964 534212639 /nfs/dbraw/zinc/21/26/39/534212639.db2.gz AKBHDGBRWFMIRM-UHFFFAOYSA-N -1 1 398.887 3.974 40 0 GHABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)c(Cl)c2)cc1 ZINC000408587987 528238913 /nfs/dbraw/zinc/23/89/13/528238913.db2.gz VOTKZPIVOQIZJY-UHFFFAOYSA-N -1 1 383.853 3.716 40 0 GHABMM CCn1c2cc(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3C)cc2oc1=O ZINC000223354353 570461279 /nfs/dbraw/zinc/46/12/79/570461279.db2.gz UVEZPRMRROPFLJ-UHFFFAOYSA-N -1 1 380.853 3.685 40 0 GHABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NCc2ccccc2)c1 ZINC000223931840 570490551 /nfs/dbraw/zinc/49/05/51/570490551.db2.gz FSKXJWQMQFZUGV-UHFFFAOYSA-N -1 1 380.469 3.726 40 0 GHABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC(C)C)cc2)cc1 ZINC000223996603 570493686 /nfs/dbraw/zinc/49/36/86/570493686.db2.gz DPVKKVQIXPJLSR-UHFFFAOYSA-N -1 1 392.546 3.985 40 0 GHABMM Cc1ccc(C(=O)N2CCCC2)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224048390 570496307 /nfs/dbraw/zinc/49/63/07/570496307.db2.gz NHASLGATNBMMMB-UHFFFAOYSA-N -1 1 378.881 3.685 40 0 GHABMM CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccc(SC)c3)ccc21 ZINC000034860128 570545322 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