smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)ccc1Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC000000665590 551516999 /nfs/dbraw/zinc/51/69/99/551516999.db2.gz IOQKFSASWAXVNP-HEHNFIMWSA-N -1 0 559.583 1.807 50 10 KDCARM CN1C(=O)N(C)C(=O)C2(Cc3cc(/C=C4\C(=O)[N-]C(=O)N(c5ccccc5)C4=O)ccc3N3CCC[C@@H]32)C1=O ZINC000002205363 551793210 /nfs/dbraw/zinc/79/32/10/551793210.db2.gz STYWODJOAQNHTJ-CKNGIZQFSA-N -1 0 527.537 1.915 50 10 KDCARM COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(S(=O)(=O)[N-]C(N)=O)cc3)C2=O)cc1 ZINC000002973732 552245486 /nfs/dbraw/zinc/24/54/86/552245486.db2.gz KPYPJSYREYAVLM-MHWRWJLKSA-N -1 0 506.587 1.892 50 10 KDCARM O=C([O-])CN1C(=O)/C(=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c2cc(Br)ccc21 ZINC000003304601 1066396100 /nfs/dbraw/zinc/39/61/00/1066396100.db2.gz IVBGIFXMUDNZGX-IIAYEXGSSA-N -1 0 517.404 1.639 50 10 KDCARM O=C1NC(=S)NC(=O)C1=Cc1cc(I)c([O-])c(I)c1 ZINC000008443257 553045891 /nfs/dbraw/zinc/04/58/91/553045891.db2.gz GFSFWMCRRQFNLV-UHFFFAOYSA-N -1 0 500.055 1.516 50 10 KDCARM O=C([O-])CCCCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCN(CCO)CC2)SC1=S ZINC000008872571 553173498 /nfs/dbraw/zinc/17/34/98/553173498.db2.gz UYTDRPMHIGAZTI-VLGSPTGOSA-N -1 0 531.660 1.655 50 10 KDCARM CC[C@H](C)N1C(=O)[N-]C(=O)/C(=C\c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C1=O ZINC000009087745 553208783 /nfs/dbraw/zinc/20/87/83/553208783.db2.gz YUEMAVXKPJHJRD-YBXAONHESA-N -1 0 507.547 1.509 50 10 KDCARM CCCCN1C(=O)[N-]C(=O)/C(=C\c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C1=O ZINC000009089669 553209141 /nfs/dbraw/zinc/20/91/41/553209141.db2.gz HJZLKJKFWOLQLS-XEYRCQSKSA-N -1 0 507.547 1.510 50 10 KDCARM CC[C@@H](C)N1C(=O)[N-]C(=O)/C(=C\c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C1=O ZINC000009236216 553225586 /nfs/dbraw/zinc/22/55/86/553225586.db2.gz YUEMAVXKPJHJRD-AOOKUXKSSA-N -1 0 507.547 1.509 50 10 KDCARM CC[C@H](C)N1C(=O)[N-]C(=O)/C(=C\c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C1=O ZINC000009236220 553225596 /nfs/dbraw/zinc/22/55/96/553225596.db2.gz YUEMAVXKPJHJRD-ZWTZFDSSSA-N -1 0 507.547 1.509 50 10 KDCARM CC[C@@H](C)N1C(=O)[N-]C(=O)/C(=C\c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C1=O ZINC000009240362 553226101 /nfs/dbraw/zinc/22/61/01/553226101.db2.gz YUEMAVXKPJHJRD-STWLCTNKSA-N -1 0 507.547 1.509 50 10 KDCARM CN1C(=O)N(C)C(=O)C2(Cc3cc(NC=C4C(=O)[N-]C(=O)N(C(C)(C)C)C4=O)ccc3N3CCC[C@@H]32)C1=O ZINC000009303078 553236363 /nfs/dbraw/zinc/23/63/63/553236363.db2.gz FJJVYUVOSKXAPC-IYICPGQYSA-N -1 0 522.562 1.421 50 10 KDCARM CN1C(=O)N(C)C(=O)C2(Cc3cc(NC=C4C(=O)[N-]C(=O)N(C(C)(C)C)C4=O)ccc3N3CCC[C@H]32)C1=O ZINC000009303079 553236470 /nfs/dbraw/zinc/23/64/70/553236470.db2.gz FJJVYUVOSKXAPC-QCUIPMNBSA-N -1 0 522.562 1.421 50 10 KDCARM CCCN1C(=O)[N-]C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C1=O ZINC000009348668 553244838 /nfs/dbraw/zinc/24/48/38/553244838.db2.gz UYXIHRDMOWBAIR-IYICPGQYSA-N -1 0 508.535 1.033 50 10 KDCARM CCCN1C(=O)[N-]C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C1=O ZINC000009348669 553244737 /nfs/dbraw/zinc/24/47/37/553244737.db2.gz UYXIHRDMOWBAIR-QCUIPMNBSA-N -1 0 508.535 1.033 50 10 KDCARM CC[C@@H](C)N1C(=O)[N-]C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C1=O ZINC000009429829 553260749 /nfs/dbraw/zinc/26/07/49/553260749.db2.gz XVXDBIZXLQJPLT-PCCAUTAQSA-N -1 0 522.562 1.421 50 10 KDCARM CC[C@H](C)N1C(=O)[N-]C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C1=O ZINC000009429830 553260851 /nfs/dbraw/zinc/26/08/51/553260851.db2.gz XVXDBIZXLQJPLT-WRCNFTOMSA-N -1 0 522.562 1.421 50 10 KDCARM CC[C@@H](C)N1C(=O)[N-]C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C1=O ZINC000009433905 553263609 /nfs/dbraw/zinc/26/36/09/553263609.db2.gz XVXDBIZXLQJPLT-AYKKCLASSA-N -1 0 522.562 1.421 50 10 KDCARM CC[C@H](C)N1C(=O)[N-]C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C1=O ZINC000009433906 553263660 /nfs/dbraw/zinc/26/36/60/553263660.db2.gz XVXDBIZXLQJPLT-IQWKDINOSA-N -1 0 522.562 1.421 50 10 KDCARM CCCCN1C(=O)[N-]C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C1=O ZINC000009446826 553265715 /nfs/dbraw/zinc/26/57/15/553265715.db2.gz XSHVZPOGTAIYED-FLXZHSAZSA-N -1 0 522.562 1.423 50 10 KDCARM CC(C)N1C(=O)[N-]C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C1=O ZINC000009487533 553272907 /nfs/dbraw/zinc/27/29/07/553272907.db2.gz HHLSGOLIHZWSDP-FXFXYLOPSA-N -1 0 508.535 1.031 50 10 KDCARM CCCCN1C(=O)[N-]C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C1=O ZINC000009579561 553281898 /nfs/dbraw/zinc/28/18/98/553281898.db2.gz XSHVZPOGTAIYED-DQSGYLJSSA-N -1 0 522.562 1.423 50 10 KDCARM CC(C)N1C(=O)[N-]C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C1=O ZINC000009580633 553282051 /nfs/dbraw/zinc/28/20/51/553282051.db2.gz HHLSGOLIHZWSDP-QIPRVMPFSA-N -1 0 508.535 1.031 50 10 KDCARM O=C(Cn1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21)N1CCOCC1 ZINC000014011014 553499279 /nfs/dbraw/zinc/49/92/79/553499279.db2.gz LZFAUOBBWCQYAD-YBFXNURJSA-N -1 0 502.483 1.895 50 10 KDCARM Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)c(NCCCN3CCOCC3)nc12 ZINC000016701227 553574772 /nfs/dbraw/zinc/57/47/72/553574772.db2.gz IUGFJBNICIOEJW-VBKFSLOCSA-N -1 0 503.606 1.423 50 10 KDCARM O=C([O-])CCCCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2NCCOCCO)SC1=S ZINC000016713540 553575155 /nfs/dbraw/zinc/57/51/55/553575155.db2.gz AZBLGAWWKBNWIZ-PEZBUJJGSA-N -1 0 506.606 1.962 50 10 KDCARM CCOC(=O)N1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(CC(=O)[O-])C2=O)CC1 ZINC000016736084 553579075 /nfs/dbraw/zinc/57/90/75/553579075.db2.gz QIDDVUCWPFBYFC-GDNBJRDFSA-N -1 0 517.589 1.567 50 10 KDCARM CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CC(=O)[O-])C2=O)CC1 ZINC000016737108 553579321 /nfs/dbraw/zinc/57/93/21/553579321.db2.gz VAENTTNHLBHAKL-PTNGSMBKSA-N -1 0 517.589 1.567 50 10 KDCARM Cc1ccc(NC(=O)Cc2sc(N[C@H](c3ccc(N(C)C)cc3)c3c([O-])[nH]c(=O)[nH]c3=O)nc2O)cc1 ZINC000020559659 553672291 /nfs/dbraw/zinc/67/22/91/553672291.db2.gz ZJRYIXJBAMHXEL-FXAWDEMLSA-N -1 0 522.587 1.849 50 10 KDCARM Cc1ccc(NC(=O)Cc2sc(N[C@@H](c3ccc(N(C)C)cc3)c3c([O-])[nH]c(=O)[nH]c3=O)nc2O)cc1 ZINC000020559661 553672251 /nfs/dbraw/zinc/67/22/51/553672251.db2.gz ZJRYIXJBAMHXEL-PXNSSMCTSA-N -1 0 522.587 1.849 50 10 KDCARM O=C(Cc1sc(N[C@H](c2ccc(O)c(O)c2)c2c([O-])[nH]c(=O)[nH]c2=O)nc1O)Nc1ccccc1F ZINC000020559694 553672213 /nfs/dbraw/zinc/67/22/13/553672213.db2.gz HNQMOCRPDRXRMY-WMLDXEAASA-N -1 0 515.479 1.025 50 10 KDCARM O=C(Cc1sc(N[C@@H](c2ccc(O)c(O)c2)c2c([O-])[nH]c(=O)[nH]c2=O)nc1O)Nc1ccccc1F ZINC000020559696 553672275 /nfs/dbraw/zinc/67/22/75/553672275.db2.gz HNQMOCRPDRXRMY-YOEHRIQHSA-N -1 0 515.479 1.025 50 10 KDCARM O=c1cc(-c2ccccc2)oc2c(CN3CCN(CCO)CC3)c([O-])c(C[NH+]3CCN(CCO)CC3)c([O-])c12 ZINC000022854532 553761861 /nfs/dbraw/zinc/76/18/61/553761861.db2.gz BLNYVUONFXTDPB-UHFFFAOYSA-N -1 0 538.645 1.091 50 10 biogenic KDCARM CCOC(=O)N1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N(CC(=O)[O-])C2=O)CC1 ZINC000029747440 553847355 /nfs/dbraw/zinc/84/73/55/553847355.db2.gz QIDDVUCWPFBYFC-XNTDXEJSSA-N -1 0 517.589 1.567 50 10 KDCARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC(=O)NCCN1CCN(c3ccc(OC)cc3)CC1)c2=O ZINC000032959223 553881842 /nfs/dbraw/zinc/88/18/42/553881842.db2.gz SOQGPXACCJHBLH-UHFFFAOYSA-N -1 0 511.604 1.419 50 10 KDCARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCC(=O)NCCN1CCN(c3ccc(OC)cc3)CC1)c2=O ZINC000032959240 553882050 /nfs/dbraw/zinc/88/20/50/553882050.db2.gz QIUMCBQUXNNWRX-UHFFFAOYSA-N -1 0 525.631 1.809 50 10 KDCARM CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(CC(=O)[O-])C2=O)CC1 ZINC000033162105 553911829 /nfs/dbraw/zinc/91/18/29/553911829.db2.gz VAENTTNHLBHAKL-RVDMUPIBSA-N -1 0 517.589 1.567 50 10 KDCARM Cc1ccc(NC(=O)Cc2sc(N[C@H](c3ccc(N(C)C)cc3)c3c([O-])[nH]c(=O)[nH]c3=O)nc2O)cc1F ZINC000033357660 553950092 /nfs/dbraw/zinc/95/00/92/553950092.db2.gz CONAHNWNEISPBE-FXAWDEMLSA-N -1 0 540.577 1.988 50 10 KDCARM Cc1ccc(NC(=O)Cc2sc(N[C@@H](c3ccc(N(C)C)cc3)c3c([O-])[nH]c(=O)[nH]c3=O)nc2O)cc1F ZINC000033357661 553949981 /nfs/dbraw/zinc/94/99/81/553949981.db2.gz CONAHNWNEISPBE-PXNSSMCTSA-N -1 0 540.577 1.988 50 10 KDCARM CCCCN1C(=O)[N-]C(=O)/C(=C\c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C1=O ZINC000095483879 553702420 /nfs/dbraw/zinc/70/24/20/553702420.db2.gz HJZLKJKFWOLQLS-UMEYKSNOSA-N -1 0 507.547 1.510 50 10 KDCARM O=C([O-])CN1C(=O)/C(=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c2cc(Br)ccc21 ZINC000096021945 553718378 /nfs/dbraw/zinc/71/83/78/553718378.db2.gz IVBGIFXMUDNZGX-WMUVVQJISA-N -1 0 517.404 1.639 50 10 KDCARM O=C([O-])CN1C(=O)/C(=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c2cc(Br)ccc21 ZINC000096021946 553718333 /nfs/dbraw/zinc/71/83/33/553718333.db2.gz IVBGIFXMUDNZGX-GEUDXBDSSA-N -1 0 517.404 1.639 50 10 KDCARM COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc4nc5c(=O)n(C)c(=O)n(C)c5nc4c3)C2=O)cc1 ZINC000096562159 553755407 /nfs/dbraw/zinc/75/54/07/553755407.db2.gz BTMLWHXKJNMISS-RVDMUPIBSA-N -1 0 501.459 1.608 50 10 KDCARM CN1C(=O)N(C)C(=O)C2(Cc3cc(NC=C4C(=O)[N-]C(=O)N(c5ccccc5)C4=O)ccc3N3CCC[C@@H]32)C1=O ZINC000097967870 553924553 /nfs/dbraw/zinc/92/45/53/553924553.db2.gz WSIMYBNHPVOJQW-JENJNIGESA-N -1 0 542.552 1.827 50 10 KDCARM CN1C(=O)N(C)C(=O)C2(Cc3cc(NC=C4C(=O)[N-]C(=O)N(c5ccccc5)C4=O)ccc3N3CCC[C@H]32)C1=O ZINC000097967871 553924348 /nfs/dbraw/zinc/92/43/48/553924348.db2.gz WSIMYBNHPVOJQW-DQYQWZCESA-N -1 0 542.552 1.827 50 10 KDCARM CN1C(=O)N(C)C(=O)C2(Cc3cc(/C=C4\C(=O)[N-]C(=O)N(CCc5ccccc5)C4=O)ccc3N3CCC[C@@H]32)C1=O ZINC000097967925 553925495 /nfs/dbraw/zinc/92/54/95/553925495.db2.gz NFHXWZVNEIKUIZ-BTZCDPCDSA-N -1 0 555.591 1.953 50 10 KDCARM CN1C(=O)N(C)C(=O)C2(Cc3cc(/C=C4\C(=O)[N-]C(=O)N(CCc5ccccc5)C4=O)ccc3N3CCC[C@H]32)C1=O ZINC000097967926 553925274 /nfs/dbraw/zinc/92/52/74/553925274.db2.gz NFHXWZVNEIKUIZ-HWYOBBEWSA-N -1 0 555.591 1.953 50 10 KDCARM CN1C(=O)N(C)C(=O)C2(Cc3cc(NC=C4C(=O)[N-]C(=O)N(C5CCCCC5)C4=O)ccc3N3CCC[C@@H]32)C1=O ZINC000097968156 553928308 /nfs/dbraw/zinc/92/83/08/553928308.db2.gz SGWPAJUVAKZTBG-JENJNIGESA-N -1 0 548.600 1.955 50 10 KDCARM CN1C(=O)N(C)C(=O)C2(Cc3cc(NC=C4C(=O)[N-]C(=O)N(C5CCCCC5)C4=O)ccc3N3CCC[C@H]32)C1=O ZINC000097968157 553928251 /nfs/dbraw/zinc/92/82/51/553928251.db2.gz SGWPAJUVAKZTBG-DQYQWZCESA-N -1 0 548.600 1.955 50 10 KDCARM CN1C(=O)N(C)C(=O)C2(Cc3cc(NC=C4C(=O)[N-]C(=O)N(Cc5ccccc5)C4=O)ccc3N3CCC[C@@H]32)C1=O ZINC000097968230 553929252 /nfs/dbraw/zinc/92/92/52/553929252.db2.gz MABXQLSVATWTGG-MNJKBJKMSA-N -1 0 556.579 1.823 50 10 KDCARM CN1C(=O)N(C)C(=O)C2(Cc3cc(NC=C4C(=O)[N-]C(=O)N(Cc5ccccc5)C4=O)ccc3N3CCC[C@H]32)C1=O ZINC000097968231 553929129 /nfs/dbraw/zinc/92/91/29/553929129.db2.gz MABXQLSVATWTGG-BARSGRSVSA-N -1 0 556.579 1.823 50 10 KDCARM CN(C)c1ccc([C@H](Nc2nc(O)c(CC(=O)Nc3ccc(F)cc3)s2)c2c([O-])[nH]c(=O)[nH]c2=O)cc1 ZINC000102072812 554874084 /nfs/dbraw/zinc/87/40/84/554874084.db2.gz YDRSNTNDHYQBSL-LPHOPBHVSA-N -1 0 526.550 1.680 50 10 KDCARM CN(C)c1ccc([C@H](Nc2nc(O)c(CC(=O)Nc3ccc(F)cc3)s2)c2c([O-])[nH]c(=O)[nH]c2=O)cc1 ZINC000102072820 554874054 /nfs/dbraw/zinc/87/40/54/554874054.db2.gz YDRSNTNDHYQBSL-APWZRJJASA-N -1 0 526.550 1.680 50 10 KDCARM COc1ccc(NC(=O)Cc2sc(N[C@@H](c3ccc(N(C)C)cc3)c3c([O-])[nH]c(=O)[nH]c3=O)nc2O)cc1 ZINC000102072831 554874121 /nfs/dbraw/zinc/87/41/21/554874121.db2.gz GOTWPUWWMTYTMJ-PXNSSMCTSA-N -1 0 538.586 1.549 50 10 KDCARM COc1ccc(NC(=O)Cc2sc(N[C@H](c3ccc(N(C)C)cc3)c3c([O-])[nH]c(=O)[nH]c3=O)nc2O)cc1 ZINC000102072834 554874065 /nfs/dbraw/zinc/87/40/65/554874065.db2.gz GOTWPUWWMTYTMJ-FXAWDEMLSA-N -1 0 538.586 1.549 50 10 KDCARM CN(C)c1ccc([C@H](Nc2nc(O)c(CC(=O)Nc3ccccc3F)s2)c2c([O-])[nH]c(=O)[nH]c2=O)cc1 ZINC000102072845 554874075 /nfs/dbraw/zinc/87/40/75/554874075.db2.gz GARJSTUAMDSQEV-LPHOPBHVSA-N -1 0 526.550 1.680 50 10 KDCARM CN(C)c1ccc([C@H](Nc2nc(O)c(CC(=O)Nc3ccccc3F)s2)c2c([O-])[nH]c(=O)[nH]c2=O)cc1 ZINC000102072851 554874026 /nfs/dbraw/zinc/87/40/26/554874026.db2.gz GARJSTUAMDSQEV-APWZRJJASA-N -1 0 526.550 1.680 50 10 KDCARM O=C(Cc1sc(N[C@@H](c2ccc(O)c(O)c2)c2c([O-])[nH]c(=O)[nH]c2=O)nc1O)Nc1cccc(Cl)c1 ZINC000102073197 554874364 /nfs/dbraw/zinc/87/43/64/554874364.db2.gz FQXQLULXKPYYNQ-YOEHRIQHSA-N -1 0 531.934 1.539 50 10 KDCARM O=C(Cc1sc(N[C@H](c2ccc(O)c(O)c2)c2c([O-])[nH]c(=O)[nH]c2=O)nc1O)Nc1cccc(Cl)c1 ZINC000102073206 554874347 /nfs/dbraw/zinc/87/43/47/554874347.db2.gz FQXQLULXKPYYNQ-WMLDXEAASA-N -1 0 531.934 1.539 50 10 KDCARM CC(C)[C@H](NC(=O)CN1C(=O)/C(=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c2ccccc21)C(=O)[O-] ZINC000102622101 554987375 /nfs/dbraw/zinc/98/73/75/554987375.db2.gz OZBOIRPVHRSUAT-ZRFDXXNNSA-N -1 0 537.641 1.017 50 10 KDCARM CC(C)[C@@H](NC(=O)CN1C(=O)/C(=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c2ccccc21)C(=O)[O-] ZINC000102622105 554987396 /nfs/dbraw/zinc/98/73/96/554987396.db2.gz OZBOIRPVHRSUAT-SKRLDKQVSA-N -1 0 537.641 1.017 50 10 KDCARM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)ccc1Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC000103757388 555470317 /nfs/dbraw/zinc/47/03/17/555470317.db2.gz IOQKFSASWAXVNP-FXBPSFAMSA-N -1 0 559.583 1.807 50 10 KDCARM CC(C)[C@H](NC(=O)CN1C(=O)/C(=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c2ccccc21)C(=O)[O-] ZINC000104150735 571375467 /nfs/dbraw/zinc/37/54/67/571375467.db2.gz OZBOIRPVHRSUAT-CRLDLGOSSA-N -1 0 537.641 1.017 50 10 KDCARM CC(C)[C@@H](NC(=O)CN1C(=O)/C(=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c2ccccc21)C(=O)[O-] ZINC000104150745 571375497 /nfs/dbraw/zinc/37/54/97/571375497.db2.gz OZBOIRPVHRSUAT-NIVXLMMWSA-N -1 0 537.641 1.017 50 10 KDCARM O=C1N=c2ccc(Br)cc2=C1NNC1=NC(=O)/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])S1 ZINC000214210469 571578062 /nfs/dbraw/zinc/57/80/62/571578062.db2.gz QNJGBALCIXWFQZ-PQMHYQBVSA-N -1 0 533.276 1.004 50 10 KDCARM COc1cc([C@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c([O-])nc3ccccn3c2=O)ccc1OCC(N)=O ZINC000217605126 571601884 /nfs/dbraw/zinc/60/18/84/571601884.db2.gz SEGPIVDWCUSBFQ-SFHVURJKSA-N -1 0 548.552 1.565 50 10 KDCARM COc1cc([C@@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c([O-])nc3ccccn3c2=O)ccc1OCC(N)=O ZINC000217605193 571601827 /nfs/dbraw/zinc/60/18/27/571601827.db2.gz SEGPIVDWCUSBFQ-GOSISDBHSA-N -1 0 548.552 1.565 50 10 KDCARM Cn1c2ccc([C@@H](CC(=O)NCCc3ccc(O)c(O)c3)c3c([O-])nc4ccccn4c3=O)cc2n(C)c1=O ZINC000218185553 571603723 /nfs/dbraw/zinc/60/37/23/571603723.db2.gz VRDGDZLPQKXUET-GOSISDBHSA-N -1 0 529.553 1.883 50 10 KDCARM Cn1c2ccc([C@H](CC(=O)NCCc3ccc(O)c(O)c3)c3c([O-])nc4ccccn4c3=O)cc2n(C)c1=O ZINC000218185634 571603777 /nfs/dbraw/zinc/60/37/77/571603777.db2.gz VRDGDZLPQKXUET-SFHVURJKSA-N -1 0 529.553 1.883 50 10 KDCARM