smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1S(=O)(=O)N1CCCC1 ZINC000514296239 1059099378 /nfs/dbraw/zinc/09/93/78/1059099378.db2.gz GXCWPJVMBSTVFZ-UHFFFAOYSA-N -1 1 545.705 2.701 20 0 KFADMM CCC1(CC)NC(=O)N(CC(=O)Nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)C1=O ZINC000514296349 1059129080 /nfs/dbraw/zinc/12/90/80/1059129080.db2.gz JUGQXUMZAUFXEE-UHFFFAOYSA-N -1 1 516.576 2.698 20 0 KFADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000514298072 1059140120 /nfs/dbraw/zinc/14/01/20/1059140120.db2.gz XQLXJMRVAPCYEL-FQEVSTJZSA-N -1 1 522.421 2.713 20 0 KFADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000514298074 1059140150 /nfs/dbraw/zinc/14/01/50/1059140150.db2.gz XQLXJMRVAPCYEL-HXUWFJFHSA-N -1 1 522.421 2.713 20 0 KFADMM O=S(=O)([N-]c1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1)c1ccc2c(c1)CCCC2 ZINC000514298092 1059140930 /nfs/dbraw/zinc/14/09/30/1059140930.db2.gz UOXMPBPLGKQCML-NRFANRHFSA-N -1 1 535.688 2.978 20 0 KFADMM O=S(=O)([N-]c1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1)c1ccc2c(c1)CCCC2 ZINC000514298095 1059140859 /nfs/dbraw/zinc/14/08/59/1059140859.db2.gz UOXMPBPLGKQCML-OAQYLSRUSA-N -1 1 535.688 2.978 20 0 KFADMM CCOc1c(Br)cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])cc1OC ZINC000514298636 1059160599 /nfs/dbraw/zinc/16/05/99/1059160599.db2.gz DGSXVWUVJSSVNX-UHFFFAOYSA-N -1 1 515.382 2.835 20 0 KFADMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000514298958 1059155783 /nfs/dbraw/zinc/15/57/83/1059155783.db2.gz BSGJGXKGVSGGQU-UHFFFAOYSA-N -1 1 578.496 2.759 20 0 KFADMM CCc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N3CCOCC3)ccc2NC[C@@H]2CCCO2)cc1 ZINC000514299945 1059166222 /nfs/dbraw/zinc/16/62/22/1059166222.db2.gz LMSOMHQBFQAQTK-IBGZPJMESA-N -1 1 509.650 2.662 20 0 KFADMM CCc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N3CCOCC3)ccc2NC[C@H]2CCCO2)cc1 ZINC000514299946 1059167433 /nfs/dbraw/zinc/16/74/33/1059167433.db2.gz LMSOMHQBFQAQTK-LJQANCHMSA-N -1 1 509.650 2.662 20 0 KFADMM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000514299990 1059167970 /nfs/dbraw/zinc/16/79/70/1059167970.db2.gz JYTPEOVCUBJUTN-IBGZPJMESA-N -1 1 514.691 2.867 20 0 KFADMM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000514299991 1059167992 /nfs/dbraw/zinc/16/79/92/1059167992.db2.gz JYTPEOVCUBJUTN-LJQANCHMSA-N -1 1 514.691 2.867 20 0 KFADMM COC(=O)Cc1c(C(=O)OC)sc2[n-]c(CN(C)Cc3ccc(OC(F)F)c(OC)c3)nc(=O)c12 ZINC000514300005 1059169122 /nfs/dbraw/zinc/16/91/22/1059169122.db2.gz KPZKFIMNHLRCHE-UHFFFAOYSA-N -1 1 511.503 2.729 20 0 KFADMM CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3[O-])CC2)cc1 ZINC000514300602 1059191710 /nfs/dbraw/zinc/19/17/10/1059191710.db2.gz OYBNDFALVLWMLI-UHFFFAOYSA-N -1 1 551.687 2.576 20 0 KFADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)c1C ZINC000514300715 1059191052 /nfs/dbraw/zinc/19/10/52/1059191052.db2.gz RFNCAASTPGWCIK-UHFFFAOYSA-N -1 1 552.549 2.764 20 0 KFADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cc1 ZINC000514302535 1059207467 /nfs/dbraw/zinc/20/74/67/1059207467.db2.gz GIPGPSHHICJVAV-UHFFFAOYSA-N -1 1 502.612 2.705 20 0 KFADMM O=S(=O)([N-]c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000514302720 1059207339 /nfs/dbraw/zinc/20/73/39/1059207339.db2.gz RAHRQVOABDLBDK-UHFFFAOYSA-N -1 1 534.081 2.756 20 0 KFADMM O=C(NCCc1nnc2n1CCCCC2)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000514303579 1059211619 /nfs/dbraw/zinc/21/16/19/1059211619.db2.gz XCGFHNOGEYQYME-UHFFFAOYSA-N -1 1 511.604 2.939 20 0 KFADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCCN3CCOCC3)c2)cc1Br ZINC000514304431 1059214565 /nfs/dbraw/zinc/21/45/65/1059214565.db2.gz TZBPCDNURZSVOM-UHFFFAOYSA-N -1 1 512.426 2.711 20 0 KFADMM Cc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N3CCOCC3)ccc2NC[C@@H]2CCCO2)c(C)c1 ZINC000514379584 1059281669 /nfs/dbraw/zinc/28/16/69/1059281669.db2.gz AFNMWEHKFGDILJ-IBGZPJMESA-N -1 1 509.650 2.716 20 0 KFADMM Cc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N3CCOCC3)ccc2NC[C@H]2CCCO2)c(C)c1 ZINC000514379585 1059281700 /nfs/dbraw/zinc/28/17/00/1059281700.db2.gz AFNMWEHKFGDILJ-LJQANCHMSA-N -1 1 509.650 2.716 20 0 KFADMM O=S(=O)([N-]c1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000514379592 1059281428 /nfs/dbraw/zinc/28/14/28/1059281428.db2.gz AJRVJVVWKRCWOA-KRWDZBQOSA-N -1 1 516.041 2.753 20 0 KFADMM O=S(=O)([N-]c1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1)c1ccc(Cl)cc1 ZINC000514379593 1059281467 /nfs/dbraw/zinc/28/14/67/1059281467.db2.gz AJRVJVVWKRCWOA-QGZVFWFLSA-N -1 1 516.041 2.753 20 0 KFADMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000514380035 1059278204 /nfs/dbraw/zinc/27/82/04/1059278204.db2.gz DCLVJWLJWQIXAF-FQEVSTJZSA-N -1 1 511.522 2.970 20 0 KFADMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000514380037 1059278268 /nfs/dbraw/zinc/27/82/68/1059278268.db2.gz DCLVJWLJWQIXAF-HXUWFJFHSA-N -1 1 511.522 2.970 20 0 KFADMM Cc1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1S(=O)(=O)N1CCCCCC1 ZINC000514380073 1059278766 /nfs/dbraw/zinc/27/87/66/1059278766.db2.gz DQWSYKQZHCQTJH-UHFFFAOYSA-N -1 1 515.679 2.611 20 0 KFADMM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC)cc(C(=O)OC)c2)cc1S(=O)(=O)N1CCCCC1 ZINC000514382053 1059354826 /nfs/dbraw/zinc/35/48/26/1059354826.db2.gz DNLFNXPKGLHPRG-UHFFFAOYSA-N -1 1 540.616 2.634 20 0 KFADMM COC(=O)Cc1c(C(=O)OC)sc2[n-]c(CN3CCN(c4cc(Cl)ccc4C)CC3)nc(=O)c12 ZINC000514383160 1059289490 /nfs/dbraw/zinc/28/94/90/1059289490.db2.gz HBMOXQOMXPUPTC-UHFFFAOYSA-N -1 1 504.996 2.771 20 0 KFADMM COC(=O)Cc1c(C(=O)OC)sc2[n-]c(CSc3nnc(CN4CCCC4)n3-c3ccccc3)nc(=O)c12 ZINC000514383919 1059300718 /nfs/dbraw/zinc/30/07/18/1059300718.db2.gz NQQNKTHDTDOUDE-UHFFFAOYSA-N -1 1 554.654 2.956 20 0 KFADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000514384032 1059299105 /nfs/dbraw/zinc/29/91/05/1059299105.db2.gz KASKCQZHGWUDRB-UHFFFAOYSA-N -1 1 520.460 2.763 20 0 KFADMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000514384289 1059296371 /nfs/dbraw/zinc/29/63/71/1059296371.db2.gz MVZUQBNCWNCBJG-UHFFFAOYSA-N -1 1 514.526 2.682 20 0 KFADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCN(CC(=O)NC(C)C)CC3)c2)cc1Br ZINC000514384298 1059296449 /nfs/dbraw/zinc/29/64/49/1059296449.db2.gz NBFRRGCRLYNQPD-UHFFFAOYSA-N -1 1 553.479 2.541 20 0 KFADMM CC(C)NC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Br)cc3)c2)CC1 ZINC000514384568 1059307438 /nfs/dbraw/zinc/30/74/38/1059307438.db2.gz QCJPIILCGJSCOL-UHFFFAOYSA-N -1 1 523.453 2.532 20 0 KFADMM O=C(CN1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)CC1)NC1CC1 ZINC000514385760 1059313432 /nfs/dbraw/zinc/31/34/32/1059313432.db2.gz UAOVWTPDPYHLBF-UHFFFAOYSA-N -1 1 510.538 2.543 20 0 KFADMM COC(=O)Cc1c(C(=O)OC)sc2[n-]c(CSc3nnc(N4CCOCC4)n3-c3ccc(C)cc3)nc(=O)c12 ZINC000514386194 1059310797 /nfs/dbraw/zinc/31/07/97/1059310797.db2.gz HCJHQVCMMUIJLR-UHFFFAOYSA-N -1 1 570.653 2.505 20 0 KFADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCC)c(S(=O)(=O)N3CCOCC3)c2)cc1OCC ZINC000514389093 1059330990 /nfs/dbraw/zinc/33/09/90/1059330990.db2.gz YUSHPERVAVAWIN-UHFFFAOYSA-N -1 1 514.622 2.704 20 0 KFADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCN(CC(=O)N4CCCCC4)CC3)c2)cc1 ZINC000514390107 1059338720 /nfs/dbraw/zinc/33/87/20/1059338720.db2.gz YFXMPIPFETYNPV-UHFFFAOYSA-N -1 1 514.648 2.656 20 0 KFADMM CCCCCN(C(=O)CCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000514390367 1059336913 /nfs/dbraw/zinc/33/69/13/1059336913.db2.gz HUZNRFFAKGKORS-UHFFFAOYSA-N -1 1 592.719 2.763 20 0 KFADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCN(CC(=O)N(CC)CC)CC3)cc2)cc1 ZINC000514390433 1059347910 /nfs/dbraw/zinc/34/79/10/1059347910.db2.gz JTFVGZZYTQGMOT-UHFFFAOYSA-N -1 1 502.637 2.512 20 0 KFADMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000514390503 1059347073 /nfs/dbraw/zinc/34/70/73/1059347073.db2.gz MAHDFNWOVDDFSV-UHFFFAOYSA-N -1 1 507.634 2.994 20 0 KFADMM Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(S(=O)(=O)N4CCCC4)ccc3[O-])CC2)c(C)c1 ZINC000514390525 1059346884 /nfs/dbraw/zinc/34/68/84/1059346884.db2.gz MYKRMMAPFKUFBK-UHFFFAOYSA-N -1 1 521.661 2.833 20 0 KFADMM CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000514390646 1059345569 /nfs/dbraw/zinc/34/55/69/1059345569.db2.gz RUUQRAOKILAEEP-IBGZPJMESA-N -1 1 527.690 2.524 20 0 KFADMM CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000514390647 1059345732 /nfs/dbraw/zinc/34/57/32/1059345732.db2.gz RUUQRAOKILAEEP-LJQANCHMSA-N -1 1 527.690 2.524 20 0 KFADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N3CCOCC3)ccc2NCCCOC(C)C)cc1 ZINC000514390874 1059344360 /nfs/dbraw/zinc/34/43/60/1059344360.db2.gz ACSLOOZOPVNAQS-UHFFFAOYSA-N -1 1 554.691 2.694 20 0 KFADMM O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000514391104 1059342658 /nfs/dbraw/zinc/34/26/58/1059342658.db2.gz ZZVACAAUAVQJCN-UHFFFAOYSA-N -1 1 502.618 2.856 20 0 KFADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CCCCCNS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000514391123 1059348707 /nfs/dbraw/zinc/34/87/07/1059348707.db2.gz GMMBJBVMJBSSMU-UHFFFAOYSA-N -1 1 555.675 2.671 20 0 KFADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)(C)C)c2)c1 ZINC000514391149 1059348750 /nfs/dbraw/zinc/34/87/50/1059348750.db2.gz HRSQWPLPERSMLM-UHFFFAOYSA-N -1 1 513.638 2.760 20 0 KFADMM CCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000514391912 1059295704 /nfs/dbraw/zinc/29/57/04/1059295704.db2.gz PYHMYFKUYPDBPL-UHFFFAOYSA-N -1 1 510.638 2.679 20 0 KFADMM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)cc1S(=O)(=O)N1CCCC1 ZINC000514392220 1059351507 /nfs/dbraw/zinc/35/15/07/1059351507.db2.gz SPGILPGBIQXNOI-INIZCTEOSA-N -1 1 507.634 2.968 20 0 KFADMM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)cc1S(=O)(=O)N1CCCC1 ZINC000514392225 1059351393 /nfs/dbraw/zinc/35/13/93/1059351393.db2.gz SPGILPGBIQXNOI-MRXNPFEDSA-N -1 1 507.634 2.968 20 0 KFADMM CCCCCn1c(CCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])nc2c1c(=O)[nH]c(=O)n2CCCC ZINC000514392484 1059385492 /nfs/dbraw/zinc/38/54/92/1059385492.db2.gz XTFISKJPLHSCJI-UHFFFAOYSA-N -1 1 590.703 2.587 20 0 KFADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000514392549 1059385814 /nfs/dbraw/zinc/38/58/14/1059385814.db2.gz XSHKSLCZOBHGOQ-UHFFFAOYSA-N -1 1 514.936 2.676 20 0 KFADMM CCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000514392552 1059385752 /nfs/dbraw/zinc/38/57/52/1059385752.db2.gz XUWDSSSGSIUXDY-UHFFFAOYSA-N -1 1 536.676 2.629 20 0 KFADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)c2)cc1F ZINC000514392818 1059383982 /nfs/dbraw/zinc/38/39/82/1059383982.db2.gz DABWJHOAHGZCBM-UHFFFAOYSA-N -1 1 502.568 2.919 20 0 KFADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)c2)cc1 ZINC000514393665 1059391170 /nfs/dbraw/zinc/39/11/70/1059391170.db2.gz IRTANZAXWXHHKX-FQEVSTJZSA-N -1 1 501.605 2.597 20 0 KFADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)c2)cc1 ZINC000514393666 1059391216 /nfs/dbraw/zinc/39/12/16/1059391216.db2.gz IRTANZAXWXHHKX-HXUWFJFHSA-N -1 1 501.605 2.597 20 0 KFADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)cc2)cc1 ZINC000514393779 1059389702 /nfs/dbraw/zinc/38/97/02/1059389702.db2.gz JZTSXXHBVHPDNP-FQEVSTJZSA-N -1 1 501.605 2.597 20 0 KFADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)cc2)cc1 ZINC000514393780 1059389890 /nfs/dbraw/zinc/38/98/90/1059389890.db2.gz JZTSXXHBVHPDNP-HXUWFJFHSA-N -1 1 501.605 2.597 20 0 KFADMM O=C(CN1CCN(C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)CC1)NC1CC1 ZINC000514401366 1059358831 /nfs/dbraw/zinc/35/88/31/1059358831.db2.gz VOIQOVYHOFGGSL-UHFFFAOYSA-N -1 1 525.458 2.760 20 0 KFADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC3(NS(C)(=O)=O)CCCCC3)cc2)cc1 ZINC000514401855 1059365178 /nfs/dbraw/zinc/36/51/78/1059365178.db2.gz GZZIIFJKMYIQIC-UHFFFAOYSA-N -1 1 509.650 2.868 20 0 KFADMM COc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)ccc1[N-]S(C)(=O)=O ZINC000514402826 1059369597 /nfs/dbraw/zinc/36/95/97/1059369597.db2.gz RMJHVPADROYXQF-GFCCVEGCSA-N -1 1 552.494 2.930 20 0 KFADMM COc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)ccc1[N-]S(C)(=O)=O ZINC000514402827 1059369739 /nfs/dbraw/zinc/36/97/39/1059369739.db2.gz RMJHVPADROYXQF-LBPRGKRZSA-N -1 1 552.494 2.930 20 0 KFADMM CCCCn1c(CCC(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000514402848 1059370079 /nfs/dbraw/zinc/37/00/79/1059370079.db2.gz RXYZQSUWNHBDOY-UHFFFAOYSA-N -1 1 593.728 2.809 20 0 KFADMM CCOc1cc2c(cc1OCC)CN(Cc1nc(=O)c3c(CC(=O)OC)c(C(=O)OC)sc3[n-]1)CC2 ZINC000514403063 1059368560 /nfs/dbraw/zinc/36/85/60/1059368560.db2.gz QJTDSPZEIILVLQ-UHFFFAOYSA-N -1 1 515.588 2.842 20 0 KFADMM CCOc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000514403607 1059377796 /nfs/dbraw/zinc/37/77/96/1059377796.db2.gz VRVSUARDKCJQNP-GOSISDBHSA-N -1 1 531.678 2.504 20 0 KFADMM CCOc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000514403609 1059377908 /nfs/dbraw/zinc/37/79/08/1059377908.db2.gz VRVSUARDKCJQNP-SFHVURJKSA-N -1 1 531.678 2.504 20 0 KFADMM COC(=O)Cc1c(C(=O)OC)sc2[n-]c(CSc3nc4ccccc4c(=O)n3C[C@H]3CCCO3)nc(=O)c12 ZINC000514404021 1059375838 /nfs/dbraw/zinc/37/58/38/1059375838.db2.gz WFNVOHWZTDUNMM-CYBMUJFWSA-N -1 1 556.622 2.668 20 0 KFADMM COC(=O)Cc1c(C(=O)OC)sc2[n-]c(CSc3nc4ccccc4c(=O)n3C[C@@H]3CCCO3)nc(=O)c12 ZINC000514404022 1059375754 /nfs/dbraw/zinc/37/57/54/1059375754.db2.gz WFNVOHWZTDUNMM-ZDUSSCGKSA-N -1 1 556.622 2.668 20 0 KFADMM CCN(CC)C(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(OC)c(Br)c3)c2)CC1 ZINC000514404054 1059375673 /nfs/dbraw/zinc/37/56/73/1059375673.db2.gz XBGCWGNNPUIOJS-UHFFFAOYSA-N -1 1 567.506 2.885 20 0 KFADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCN(CC(=O)N(CC)CC)CC3)c2)cc1 ZINC000514404481 1059419161 /nfs/dbraw/zinc/41/91/61/1059419161.db2.gz FLGROOFBRAMQHT-UHFFFAOYSA-N -1 1 502.637 2.512 20 0 KFADMM COC(=O)Cc1c(C(=O)OC)sc2[n-]c(CSc3nnc(N4CCOCC4)n3-c3ccccc3C)nc(=O)c12 ZINC000514404594 1059417311 /nfs/dbraw/zinc/41/73/11/1059417311.db2.gz JFSGQWQFEMFHAT-UHFFFAOYSA-N -1 1 570.653 2.505 20 0 KFADMM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000514404629 1059415280 /nfs/dbraw/zinc/41/52/80/1059415280.db2.gz KJLPGUKHKZVFCG-INIZCTEOSA-N -1 1 524.565 2.931 20 0 KFADMM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000514404630 1059415363 /nfs/dbraw/zinc/41/53/63/1059415363.db2.gz KJLPGUKHKZVFCG-MRXNPFEDSA-N -1 1 524.565 2.931 20 0 KFADMM Cc1cc(CN2CCN(C(=O)c3ccc([N-]S(=O)(=O)c4ccc5c(c4)OCCCO5)cc3)CC2)no1 ZINC000514404636 1059415310 /nfs/dbraw/zinc/41/53/10/1059415310.db2.gz KWOCPNGVYNGTQW-UHFFFAOYSA-N -1 1 512.588 2.903 20 0 KFADMM O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000514405007 1059409556 /nfs/dbraw/zinc/40/95/56/1059409556.db2.gz PXWLTGZDOJJATP-HARLFGEKSA-N -1 1 532.644 2.923 20 0 KFADMM O=S(=O)([N-]c1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1)c1ccc(Br)cc1 ZINC000514405803 1059420919 /nfs/dbraw/zinc/42/09/19/1059420919.db2.gz ZLNKANLFYHNHMY-KRWDZBQOSA-N -1 1 560.492 2.862 20 0 KFADMM O=S(=O)([N-]c1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1)c1ccc(Br)cc1 ZINC000514405804 1059420948 /nfs/dbraw/zinc/42/09/48/1059420948.db2.gz ZLNKANLFYHNHMY-QGZVFWFLSA-N -1 1 560.492 2.862 20 0 KFADMM