smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000004946267 552490052 /nfs/dbraw/zinc/49/00/52/552490052.db2.gz AWSZAKCFFVUULY-XKEUXCCBSA-N 2 1 577.766 4.934 40 0 KJABMP CC[C@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000004946268 552490082 /nfs/dbraw/zinc/49/00/82/552490082.db2.gz AWSZAKCFFVUULY-SOULJVCNSA-N 2 1 577.766 4.934 40 0 KJABMP O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000067870927 560050473 /nfs/dbraw/zinc/05/04/73/560050473.db2.gz BMSNXNJAGWGVTH-WRALFONMSA-N 2 1 582.589 4.622 40 0 biogenic,in-vitro KJABMP CCC1=C[C@@H]2C[NH+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000095544807 553703428 /nfs/dbraw/zinc/70/34/28/553703428.db2.gz FFRFGVHNKJYNOV-ZCIMLLHDSA-N 2 1 792.974 4.796 40 0 investigational KJABMP CCC1=C[C@@H]2C[NH+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000095544807 553703427 /nfs/dbraw/zinc/70/34/27/553703427.db2.gz FFRFGVHNKJYNOV-ZCIMLLHDSA-N 2 1 792.974 4.796 40 0 investigational KJABMP CCC1=C[C@@H]2C[N@@H+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000095544807 553703426 /nfs/dbraw/zinc/70/34/26/553703426.db2.gz FFRFGVHNKJYNOV-ZCIMLLHDSA-N 2 1 792.974 4.796 40 0 investigational KJABMP CCC1=C[C@H]2C[NH+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000095616067 553705997 /nfs/dbraw/zinc/70/59/97/553705997.db2.gz FFRFGVHNKJYNOV-DOVUUNBWSA-N 2 1 792.974 4.796 40 0 biogenic,in-vitro KJABMP CCC1=C[C@H]2C[NH+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000095616067 553705995 /nfs/dbraw/zinc/70/59/95/553705995.db2.gz FFRFGVHNKJYNOV-DOVUUNBWSA-N 2 1 792.974 4.796 40 0 biogenic,in-vitro KJABMP CCC1=C[C@H]2C[N@@H+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000095616067 553705993 /nfs/dbraw/zinc/70/59/93/553705993.db2.gz FFRFGVHNKJYNOV-DOVUUNBWSA-N 2 1 792.974 4.796 40 0 biogenic,in-vitro KJABMP C[NH+](C[C@@H](O)COc1ccc(S(=O)(=O)c2ccc(OC[C@@H](O)C[N@@H+](C)C3CCCCC3)cc2)cc1)C1CCCCC1 ZINC000101210331 554679019 /nfs/dbraw/zinc/67/90/19/554679019.db2.gz XNVQAIZUQFZEQN-HNRBIFIRSA-N 2 1 588.811 4.528 40 0 KJABMP C[NH+](C[C@@H](O)COc1ccc(S(=O)(=O)c2ccc(OC[C@@H](O)C[N@H+](C)C3CCCCC3)cc2)cc1)C1CCCCC1 ZINC000101210331 554679018 /nfs/dbraw/zinc/67/90/18/554679018.db2.gz XNVQAIZUQFZEQN-HNRBIFIRSA-N 2 1 588.811 4.528 40 0 KJABMP C[NH+](C[C@H](O)COc1ccc(S(=O)(=O)c2ccc(OC[C@H](O)C[N@H+](C)C3CCCCC3)cc2)cc1)C1CCCCC1 ZINC000101210331 554679017 /nfs/dbraw/zinc/67/90/17/554679017.db2.gz XNVQAIZUQFZEQN-HNRBIFIRSA-N 2 1 588.811 4.528 40 0 KJABMP C[NH+](C[C@@H](O)COc1ccc(S(=O)(=O)c2ccc(OC[C@H](O)C[N@H+](C)C3CCCCC3)cc2)cc1)C1CCCCC1 ZINC000101210332 554678962 /nfs/dbraw/zinc/67/89/62/554678962.db2.gz XNVQAIZUQFZEQN-VSGBNLITSA-N 2 1 588.811 4.528 40 0 KJABMP C[NH+](C[C@H](O)COc1ccc(S(=O)(=O)c2ccc(OC[C@@H](O)C[N@H+](C)C3CCCCC3)cc2)cc1)C1CCCCC1 ZINC000222214960 571604912 /nfs/dbraw/zinc/60/49/12/571604912.db2.gz XNVQAIZUQFZEQN-NSOVKSMOSA-N 2 1 588.811 4.528 40 0 KJABMP CCC1=C[C@@H]2C[NH+](C1)Cc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@H+]3CCC[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000242701872 572199332 /nfs/dbraw/zinc/19/93/32/572199332.db2.gz WOURDBIBKDKFLK-IELIFDKJSA-N 2 1 780.963 4.978 40 0 KJABMP CCC1=C[C@@H]2C[NH+](C1)Cc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@]34CC[N@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000245204699 562881286 /nfs/dbraw/zinc/88/12/86/562881286.db2.gz GBABOYUKABKIAF-SULIYOFUSA-N 2 1 778.947 4.754 40 0 KJABMP CCC1=C[C@@H]2C[NH+](C1)Cc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@]34CC[N@@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000245204699 562881285 /nfs/dbraw/zinc/88/12/85/562881285.db2.gz GBABOYUKABKIAF-SULIYOFUSA-N 2 1 778.947 4.754 40 0 KJABMP CCC1=C[C@@H]2C[N@@H+](C1)Cc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000245204699 562881284 /nfs/dbraw/zinc/88/12/84/562881284.db2.gz GBABOYUKABKIAF-SULIYOFUSA-N 2 1 778.947 4.754 40 0 KJABMP CCC1=C[C@H]2C[NH+](C1)Cc1c3ccccc3[nH]c1[C@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@]34CC[N@H+]3CC=C[C@](CC)([C@@H]34)[C@@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2 ZINC000252515027 572262095 /nfs/dbraw/zinc/26/20/95/572262095.db2.gz GBABOYUKABKIAF-JRNUBQCZSA-N 2 1 778.947 4.754 40 0 KJABMP CCC1=C[C@H]2C[NH+](C1)Cc1c3ccccc3[nH]c1[C@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@]34CC[N@@H+]3CC=C[C@](CC)([C@@H]34)[C@@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2 ZINC000252515027 572262094 /nfs/dbraw/zinc/26/20/94/572262094.db2.gz GBABOYUKABKIAF-JRNUBQCZSA-N 2 1 778.947 4.754 40 0 KJABMP CCC1=C[C@H]2C[N@@H+](C1)Cc1c3ccccc3[nH]c1[C@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@]34CC[NH+]3CC=C[C@](CC)([C@@H]34)[C@@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2 ZINC000252515027 572262093 /nfs/dbraw/zinc/26/20/93/572262093.db2.gz GBABOYUKABKIAF-JRNUBQCZSA-N 2 1 778.947 4.754 40 0 KJABMP CCC1=C[C@H]2C[NH+](C1)Cc1c3ccccc3[nH]c1[C@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@]34CC[N@H+]3CC=C[C@](CC)([C@@H]34)[C@@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2 ZINC000252515028 572262140 /nfs/dbraw/zinc/26/21/40/572262140.db2.gz GBABOYUKABKIAF-ODXJPMDXSA-N 2 1 778.947 4.754 40 0 KJABMP CCC1=C[C@H]2C[NH+](C1)Cc1c3ccccc3[nH]c1[C@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@]34CC[N@@H+]3CC=C[C@](CC)([C@@H]34)[C@@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2 ZINC000252515028 572262138 /nfs/dbraw/zinc/26/21/38/572262138.db2.gz GBABOYUKABKIAF-ODXJPMDXSA-N 2 1 778.947 4.754 40 0 KJABMP CCC1=C[C@H]2C[N@@H+](C1)Cc1c3ccccc3[nH]c1[C@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@@H]34)[C@@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2 ZINC000252515028 572262137 /nfs/dbraw/zinc/26/21/37/572262137.db2.gz GBABOYUKABKIAF-ODXJPMDXSA-N 2 1 778.947 4.754 40 0 KJABMP CCC1=C[C@H]2C[NH+](C1)Cc1c3ccccc3[nH]c1[C@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@]34CC[N@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2 ZINC000252515029 572262082 /nfs/dbraw/zinc/26/20/82/572262082.db2.gz GBABOYUKABKIAF-RTWPQRFYSA-N 2 1 778.947 4.754 40 0 KJABMP CCC1=C[C@H]2C[NH+](C1)Cc1c3ccccc3[nH]c1[C@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@]34CC[N@@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2 ZINC000252515029 572262081 /nfs/dbraw/zinc/26/20/81/572262081.db2.gz GBABOYUKABKIAF-RTWPQRFYSA-N 2 1 778.947 4.754 40 0 KJABMP CCC1=C[C@H]2C[N@@H+](C1)Cc1c3ccccc3[nH]c1[C@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2 ZINC000252515029 572262080 /nfs/dbraw/zinc/26/20/80/572262080.db2.gz GBABOYUKABKIAF-RTWPQRFYSA-N 2 1 778.947 4.754 40 0 KJABMP CCC1=C[C@H]2C[NH+](C1)Cc1c3ccccc3[nH]c1[C@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@]34CC[N@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2 ZINC000252515030 572262107 /nfs/dbraw/zinc/26/21/07/572262107.db2.gz GBABOYUKABKIAF-WIPKSZAFSA-N 2 1 778.947 4.754 40 0 KJABMP CCC1=C[C@H]2C[NH+](C1)Cc1c3ccccc3[nH]c1[C@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@]34CC[N@@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2 ZINC000252515030 572262106 /nfs/dbraw/zinc/26/21/06/572262106.db2.gz GBABOYUKABKIAF-WIPKSZAFSA-N 2 1 778.947 4.754 40 0 KJABMP CCC1=C[C@H]2C[N@@H+](C1)Cc1c3ccccc3[nH]c1[C@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2 ZINC000252515030 572262105 /nfs/dbraw/zinc/26/21/05/572262105.db2.gz GBABOYUKABKIAF-WIPKSZAFSA-N 2 1 778.947 4.754 40 0 KJABMP Cc1cc(OC[C@]2(CC(=O)N3CC[NH+](C)CC3)CCC[N@H+](Cc3cn(C)c4ccccc34)C2)ccc1Cl ZINC000257209010 572307125 /nfs/dbraw/zinc/30/71/25/572307125.db2.gz BOPRRWKKOPYJQP-PMERELPUSA-N 2 1 523.121 4.965 40 0 KJABMP Cc1cc(OC[C@]2(CC(=O)N3CC[NH+](C)CC3)CCC[N@@H+](Cc3cn(C)c4ccccc34)C2)ccc1Cl ZINC000257209010 572307124 /nfs/dbraw/zinc/30/71/24/572307124.db2.gz BOPRRWKKOPYJQP-PMERELPUSA-N 2 1 523.121 4.965 40 0 KJABMP Cc1cc(OC[C@@]2(CC(=O)N3CC[NH+](C)CC3)CCC[N@H+](Cc3cn(C)c4ccccc34)C2)ccc1Cl ZINC000257209011 572307097 /nfs/dbraw/zinc/30/70/97/572307097.db2.gz BOPRRWKKOPYJQP-SSEXGKCCSA-N 2 1 523.121 4.965 40 0 KJABMP Cc1cc(OC[C@@]2(CC(=O)N3CC[NH+](C)CC3)CCC[N@@H+](Cc3cn(C)c4ccccc34)C2)ccc1Cl ZINC000257209011 572307096 /nfs/dbraw/zinc/30/70/96/572307096.db2.gz BOPRRWKKOPYJQP-SSEXGKCCSA-N 2 1 523.121 4.965 40 0 KJABMP CCCCn1cc(C[N@H+]2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CC[NH+](C)CC3)C2)c(C)n1 ZINC000257249994 572311019 /nfs/dbraw/zinc/31/10/19/572311019.db2.gz JKNXGJPZBDVHQY-GDLZYMKVSA-N 2 1 530.157 4.779 40 0 KJABMP CCCCn1cc(C[N@@H+]2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CC[NH+](C)CC3)C2)c(C)n1 ZINC000257249994 572311017 /nfs/dbraw/zinc/31/10/17/572311017.db2.gz JKNXGJPZBDVHQY-GDLZYMKVSA-N 2 1 530.157 4.779 40 0 KJABMP CCCCn1cc(C[N@H+]2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CC[NH+](C)CC3)C2)c(C)n1 ZINC000257249995 572311061 /nfs/dbraw/zinc/31/10/61/572311061.db2.gz JKNXGJPZBDVHQY-LJAQVGFWSA-N 2 1 530.157 4.779 40 0 KJABMP CCCCn1cc(C[N@@H+]2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CC[NH+](C)CC3)C2)c(C)n1 ZINC000257249995 572311058 /nfs/dbraw/zinc/31/10/58/572311058.db2.gz JKNXGJPZBDVHQY-LJAQVGFWSA-N 2 1 530.157 4.779 40 0 KJABMP COCCn1c(C)cc(C[N@H+]2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CC[NH+](C)CC3)C2)c1C ZINC000257274699 572313289 /nfs/dbraw/zinc/31/32/89/572313289.db2.gz NMFMHCVXNVOBBO-PMERELPUSA-N 2 1 545.168 4.538 40 0 KJABMP COCCn1c(C)cc(C[N@@H+]2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CC[NH+](C)CC3)C2)c1C ZINC000257274699 572313288 /nfs/dbraw/zinc/31/32/88/572313288.db2.gz NMFMHCVXNVOBBO-PMERELPUSA-N 2 1 545.168 4.538 40 0 KJABMP COCCn1c(C)cc(C[N@H+]2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CC[NH+](C)CC3)C2)c1C ZINC000257274700 572313424 /nfs/dbraw/zinc/31/34/24/572313424.db2.gz NMFMHCVXNVOBBO-SSEXGKCCSA-N 2 1 545.168 4.538 40 0 KJABMP COCCn1c(C)cc(C[N@@H+]2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CC[NH+](C)CC3)C2)c1C ZINC000257274700 572313423 /nfs/dbraw/zinc/31/34/23/572313423.db2.gz NMFMHCVXNVOBBO-SSEXGKCCSA-N 2 1 545.168 4.538 40 0 KJABMP Cc1cc(OC[C@@]2(CC(=O)N3CC[NH+](C)CC3)CCC[N@H+](Cc3cccn3C(C)C)C2)ccc1Cl ZINC000257284578 572314350 /nfs/dbraw/zinc/31/43/50/572314350.db2.gz PDFXHCMHYQPMOT-MUUNZHRXSA-N 2 1 501.115 4.856 40 0 KJABMP Cc1cc(OC[C@@]2(CC(=O)N3CC[NH+](C)CC3)CCC[N@@H+](Cc3cccn3C(C)C)C2)ccc1Cl ZINC000257284578 572314349 /nfs/dbraw/zinc/31/43/49/572314349.db2.gz PDFXHCMHYQPMOT-MUUNZHRXSA-N 2 1 501.115 4.856 40 0 KJABMP Cc1cc(OC[C@]2(CC(=O)N3CC[NH+](C)CC3)CCC[N@H+](Cc3cccn3C(C)C)C2)ccc1Cl ZINC000257284579 572314377 /nfs/dbraw/zinc/31/43/77/572314377.db2.gz PDFXHCMHYQPMOT-NDEPHWFRSA-N 2 1 501.115 4.856 40 0 KJABMP Cc1cc(OC[C@]2(CC(=O)N3CC[NH+](C)CC3)CCC[N@@H+](Cc3cccn3C(C)C)C2)ccc1Cl ZINC000257284579 572314376 /nfs/dbraw/zinc/31/43/76/572314376.db2.gz PDFXHCMHYQPMOT-NDEPHWFRSA-N 2 1 501.115 4.856 40 0 KJABMP Cc1ccc(F)cc1C[N@@H+]1CCC[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257318672 572317763 /nfs/dbraw/zinc/31/77/63/572317763.db2.gz VOYXJYFPYZTUFS-MUUNZHRXSA-N 2 1 502.074 4.921 40 0 KJABMP Cc1ccc(F)cc1C[N@H+]1CCC[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257318672 572317760 /nfs/dbraw/zinc/31/77/60/572317760.db2.gz VOYXJYFPYZTUFS-MUUNZHRXSA-N 2 1 502.074 4.921 40 0 KJABMP Cc1ccc(F)cc1C[N@@H+]1CCC[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257318673 572317724 /nfs/dbraw/zinc/31/77/24/572317724.db2.gz VOYXJYFPYZTUFS-NDEPHWFRSA-N 2 1 502.074 4.921 40 0 KJABMP Cc1ccc(F)cc1C[N@H+]1CCC[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257318673 572317722 /nfs/dbraw/zinc/31/77/22/572317722.db2.gz VOYXJYFPYZTUFS-NDEPHWFRSA-N 2 1 502.074 4.921 40 0 KJABMP Cc1cc(OC[C@@]2(CC(=O)N3CC[NH+](C)CC3)CCC[N@@H+](Cc3ccc4[nH]ccc4c3)C2)ccc1Cl ZINC000257327330 572318573 /nfs/dbraw/zinc/31/85/73/572318573.db2.gz XAYPPCJMQALOJW-GDLZYMKVSA-N 2 1 509.094 4.955 40 0 KJABMP Cc1cc(OC[C@@]2(CC(=O)N3CC[NH+](C)CC3)CCC[N@H+](Cc3ccc4[nH]ccc4c3)C2)ccc1Cl ZINC000257327330 572318571 /nfs/dbraw/zinc/31/85/71/572318571.db2.gz XAYPPCJMQALOJW-GDLZYMKVSA-N 2 1 509.094 4.955 40 0 KJABMP Cc1cc(OC[C@]2(CC(=O)N3CC[NH+](C)CC3)CCC[N@@H+](Cc3ccc4[nH]ccc4c3)C2)ccc1Cl ZINC000257327331 572318634 /nfs/dbraw/zinc/31/86/34/572318634.db2.gz XAYPPCJMQALOJW-LJAQVGFWSA-N 2 1 509.094 4.955 40 0 KJABMP Cc1cc(OC[C@]2(CC(=O)N3CC[NH+](C)CC3)CCC[N@H+](Cc3ccc4[nH]ccc4c3)C2)ccc1Cl ZINC000257327331 572318632 /nfs/dbraw/zinc/31/86/32/572318632.db2.gz XAYPPCJMQALOJW-LJAQVGFWSA-N 2 1 509.094 4.955 40 0 KJABMP CC[C@@H]1C[C@H]2C[N@@H+](C1)CCc1c3ccccc3[nH]c1[C@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@]34CC[NH+]3CC=C[C@](CC)([C@@H]34)[C@@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2 ZINC000257375779 572322364 /nfs/dbraw/zinc/32/23/64/572322364.db2.gz AGKYIOIIEPFTEV-BVDSDHSQSA-N 2 1 794.990 4.876 40 0 KJABMP CC[C@@H]1C[C@H]2C[N@@H+](C1)CCc1c3ccccc3[nH]c1[C@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2 ZINC000257375780 572322356 /nfs/dbraw/zinc/32/23/56/572322356.db2.gz AGKYIOIIEPFTEV-IBSHYZQTSA-N 2 1 794.990 4.876 40 0 KJABMP CC[C@@H]1C[C@H]2C[N@@H+](C1)CCc1c3ccccc3[nH]c1[C@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@@H]34)[C@@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2 ZINC000257375781 572322380 /nfs/dbraw/zinc/32/23/80/572322380.db2.gz 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CCC1=C[C@H]2C[N@@H+](C1)CCc1c3ccccc3[nH]c1[C@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2 ZINC000257414351 572322400 /nfs/dbraw/zinc/32/24/00/572322400.db2.gz FFRFGVHNKJYNOV-WMSQZNRVSA-N 2 1 792.974 4.796 40 0 KJABMP CCC1=C[C@H]2C[N@@H+](C1)CCc1c3ccccc3[nH]c1[C@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2 ZINC000257414352 572322427 /nfs/dbraw/zinc/32/24/27/572322427.db2.gz FFRFGVHNKJYNOV-YBROVWCKSA-N 2 1 792.974 4.796 40 0 KJABMP CCC1=CC[N@@H+]2CC[C@]34c5cc([C@]6(C(=O)OC)C[C@H]7C[C@H](CC)C[NH+](C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]3[C@](O)(C(=O)OC)[C@H](OC(C)=O)[C@H]1[C@H]24 ZINC000263602581 572129244 /nfs/dbraw/zinc/12/92/44/572129244.db2.gz MMLZNGAVBVUQNG-HBVVWZBESA-N 2 1 794.990 4.876 40 0 KJABMP CCC1=CC[N@H+]2CC[C@]34c5cc([C@]6(C(=O)OC)C[C@H]7C[C@H](CC)C[NH+](C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]3[C@](O)(C(=O)OC)[C@H](OC(C)=O)[C@H]1[C@H]24 ZINC000263602581 572129242 /nfs/dbraw/zinc/12/92/42/572129242.db2.gz MMLZNGAVBVUQNG-HBVVWZBESA-N 2 1 794.990 4.876 40 0 KJABMP CCC1=CC[NH+]2CC[C@]34c5cc([C@]6(C(=O)OC)C[C@H]7C[C@H](CC)C[N@H+](C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]3[C@](O)(C(=O)OC)[C@H](OC(C)=O)[C@H]1[C@H]24 ZINC000263602581 572129240 /nfs/dbraw/zinc/12/92/40/572129240.db2.gz MMLZNGAVBVUQNG-HBVVWZBESA-N 2 1 794.990 4.876 40 0 KJABMP CCC1=CC[N@@H+]2CC[C@]34c5cc([C@]6(C(=O)OC)C[C@H]7C[C@H](CC)C[NH+](C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]3[C@](O)(C(=O)OC)[C@H](OC(C)=O)[C@@H]1[C@@H]24 ZINC000263602582 572129217 /nfs/dbraw/zinc/12/92/17/572129217.db2.gz MMLZNGAVBVUQNG-NOVHTALISA-N 2 1 794.990 4.876 40 0 KJABMP CCC1=CC[N@H+]2CC[C@]34c5cc([C@]6(C(=O)OC)C[C@H]7C[C@H](CC)C[NH+](C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]3[C@](O)(C(=O)OC)[C@H](OC(C)=O)[C@@H]1[C@@H]24 ZINC000263602582 572129214 /nfs/dbraw/zinc/12/92/14/572129214.db2.gz MMLZNGAVBVUQNG-NOVHTALISA-N 2 1 794.990 4.876 40 0 KJABMP CCC1=CC[NH+]2CC[C@]34c5cc([C@]6(C(=O)OC)C[C@H]7C[C@H](CC)C[N@H+](C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]3[C@](O)(C(=O)OC)[C@H](OC(C)=O)[C@@H]1[C@@H]24 ZINC000263602582 572129213 /nfs/dbraw/zinc/12/92/13/572129213.db2.gz MMLZNGAVBVUQNG-NOVHTALISA-N 2 1 794.990 4.876 40 0 KJABMP CCC1=CC[N@@H+]2CC[C@]34c5cc([C@]6(C(=O)OC)C[C@H]7C[C@H](CC)C[NH+](C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]3[C@](O)(C(=O)OC)[C@H](OC(C)=O)[C@H]1[C@@H]24 ZINC000263602583 572129144 /nfs/dbraw/zinc/12/91/44/572129144.db2.gz MMLZNGAVBVUQNG-QWYMXINASA-N 2 1 794.990 4.876 40 0 KJABMP CCC1=CC[N@H+]2CC[C@]34c5cc([C@]6(C(=O)OC)C[C@H]7C[C@H](CC)C[NH+](C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]3[C@](O)(C(=O)OC)[C@H](OC(C)=O)[C@H]1[C@@H]24 ZINC000263602583 572129140 /nfs/dbraw/zinc/12/91/40/572129140.db2.gz MMLZNGAVBVUQNG-QWYMXINASA-N 2 1 794.990 4.876 40 0 KJABMP CCC1=CC[NH+]2CC[C@]34c5cc([C@]6(C(=O)OC)C[C@H]7C[C@H](CC)C[N@H+](C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]3[C@](O)(C(=O)OC)[C@H](OC(C)=O)[C@H]1[C@@H]24 ZINC000263602583 572129136 /nfs/dbraw/zinc/12/91/36/572129136.db2.gz MMLZNGAVBVUQNG-QWYMXINASA-N 2 1 794.990 4.876 40 0 KJABMP CCC1=CC[N@@H+]2CC[C@]34c5cc([C@]6(C(=O)OC)C[C@H]7C[C@H](CC)C[NH+](C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]3[C@](O)(C(=O)OC)[C@H](OC(C)=O)[C@@H]1[C@H]24 ZINC000263602584 572129168 /nfs/dbraw/zinc/12/91/68/572129168.db2.gz MMLZNGAVBVUQNG-SAXBYPFESA-N 2 1 794.990 4.876 40 0 KJABMP CCC1=CC[N@H+]2CC[C@]34c5cc([C@]6(C(=O)OC)C[C@H]7C[C@H](CC)C[NH+](C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]3[C@](O)(C(=O)OC)[C@H](OC(C)=O)[C@@H]1[C@H]24 ZINC000263602584 572129165 /nfs/dbraw/zinc/12/91/65/572129165.db2.gz MMLZNGAVBVUQNG-SAXBYPFESA-N 2 1 794.990 4.876 40 0 KJABMP CCC1=CC[NH+]2CC[C@]34c5cc([C@]6(C(=O)OC)C[C@H]7C[C@H](CC)C[N@H+](C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]3[C@](O)(C(=O)OC)[C@H](OC(C)=O)[C@@H]1[C@H]24 ZINC000263602584 572129161 /nfs/dbraw/zinc/12/91/61/572129161.db2.gz MMLZNGAVBVUQNG-SAXBYPFESA-N 2 1 794.990 4.876 40 0 KJABMP CCc1[nH+]ccn1CCOc1cc(C[NH+]2CCC(O)(COc3cc(C)ccc3Cl)CC2)ccc1OC ZINC000585270088 1066380167 /nfs/dbraw/zinc/38/01/67/1066380167.db2.gz BSGODAUDFROVQZ-UHFFFAOYSA-N 2 1 514.066 4.901 40 0 KJABMP CCc1[nH+]ccn1CCOc1ccc(C[NH+]2CCC(O)(COc3cccc(Cl)c3)CC2)cc1OC ZINC000585270131 1066379681 /nfs/dbraw/zinc/37/96/81/1066379681.db2.gz CCLUZLLNSOSVFD-UHFFFAOYSA-N 2 1 500.039 4.592 40 0 KJABMP C[N@H+]1[C@@H](c2ccccc2)C[C@]2(C)[C@H]1CCC[C@@H]([NH2+]Cc1ccc(OCCCN3CCCC3=O)cc1)[C@@H]2O ZINC000585270460 1066379303 /nfs/dbraw/zinc/37/93/03/1066379303.db2.gz KOOFVSAYVBVZNQ-LLMMMJPWSA-N 2 1 505.703 4.533 40 0 KJABMP COc1cc(C[NH+]2CCC(O)(COc3cccc(Cl)c3)CC2)ccc1OCCCn1cc[nH+]c1C ZINC000585270482 1066379842 /nfs/dbraw/zinc/37/98/42/1066379842.db2.gz DSSWFHWVVVRDOO-UHFFFAOYSA-N 2 1 500.039 4.729 40 0 KJABMP COc1ccc(C[NH+]2CCC(O)(COc3cccc(Cl)c3)CC2)cc1OCCCn1cc[nH+]c1C ZINC000585271082 1066382526 /nfs/dbraw/zinc/38/25/26/1066382526.db2.gz JBTJUWSJFSIGCJ-UHFFFAOYSA-N 2 1 500.039 4.729 40 0 KJABMP COc1cc(C[NH+]2CCC(O)(COc3cc(C)ccc3Cl)CC2)ccc1OCCn1cc[nH+]c1C ZINC000585271093 1066382664 /nfs/dbraw/zinc/38/26/64/1066382664.db2.gz JGVIZSXHRRRIEI-UHFFFAOYSA-N 2 1 500.039 4.647 40 0 KJABMP COc1cc(C[NH+]2CCC(COc3cccc(Cl)c3)(OC)CC2)ccc1OCCn1cc[nH+]c1C ZINC000585271120 1066382157 /nfs/dbraw/zinc/38/21/57/1066382157.db2.gz JPYNTUUXJBFUBU-UHFFFAOYSA-N 2 1 500.039 4.993 40 0 KJABMP COc1ccc(C[N@H+]2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)C2)cc1OCCn1cc[nH+]c1C ZINC000585271132 1066381173 /nfs/dbraw/zinc/38/11/73/1066381173.db2.gz JWDWZTHBKAMPBM-MUUNZHRXSA-N 2 1 514.066 4.955 40 0 KJABMP COc1ccc(C[N@@H+]2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)C2)cc1OCCn1cc[nH+]c1C ZINC000585271132 1066381155 /nfs/dbraw/zinc/38/11/55/1066381155.db2.gz JWDWZTHBKAMPBM-MUUNZHRXSA-N 2 1 514.066 4.955 40 0 KJABMP COc1ccc(C[N@H+]2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)cc1OCCn1cc[nH+]c1C ZINC000585271134 1066381610 /nfs/dbraw/zinc/38/16/10/1066381610.db2.gz JWDWZTHBKAMPBM-NDEPHWFRSA-N 2 1 514.066 4.955 40 0 KJABMP COc1ccc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)cc1OCCn1cc[nH+]c1C ZINC000585271134 1066381599 /nfs/dbraw/zinc/38/15/99/1066381599.db2.gz JWDWZTHBKAMPBM-NDEPHWFRSA-N 2 1 514.066 4.955 40 0 KJABMP CCc1[nH+]ccn1CCCOc1ccc(C[NH+]2CCC(O)(COc3cccc(Cl)c3)CC2)cc1OC ZINC000585271209 1066382746 /nfs/dbraw/zinc/38/27/46/1066382746.db2.gz LMDJUGWNBOEKKK-UHFFFAOYSA-N 2 1 514.066 4.983 40 0 KJABMP CCc1[nH+]ccn1CCCOc1ccc(C[NH+]2CCC(O)(COc3ccc(C)cc3C)CC2)cc1OC ZINC000585271215 1066382575 /nfs/dbraw/zinc/38/25/75/1066382575.db2.gz LPLBWBTZBIJEGS-UHFFFAOYSA-N 2 1 507.675 4.946 40 0 KJABMP COc1cc(C[N@H+]2CCC[C@](O)(COc3cc(C)ccc3Cl)C2)ccc1OCCn1cc[nH+]c1C ZINC000585271216 1066382286 /nfs/dbraw/zinc/38/22/86/1066382286.db2.gz LPYRROPAVDHFOX-HHHXNRCGSA-N 2 1 500.039 4.647 40 0 KJABMP COc1cc(C[N@@H+]2CCC[C@](O)(COc3cc(C)ccc3Cl)C2)ccc1OCCn1cc[nH+]c1C ZINC000585271216 1066382274 /nfs/dbraw/zinc/38/22/74/1066382274.db2.gz LPYRROPAVDHFOX-HHHXNRCGSA-N 2 1 500.039 4.647 40 0 KJABMP COc1cc(C[N@H+]2CCC[C@@](O)(COc3cc(C)ccc3Cl)C2)ccc1OCCn1cc[nH+]c1C ZINC000585271218 1066382409 /nfs/dbraw/zinc/38/24/09/1066382409.db2.gz LPYRROPAVDHFOX-MHZLTWQESA-N 2 1 500.039 4.647 40 0 KJABMP COc1cc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)ccc3Cl)C2)ccc1OCCn1cc[nH+]c1C ZINC000585271218 1066382395 /nfs/dbraw/zinc/38/23/95/1066382395.db2.gz LPYRROPAVDHFOX-MHZLTWQESA-N 2 1 500.039 4.647 40 0 KJABMP OCCC[N@H+](Cc1cccc(OCC[NH+]2CCCCC2)c1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000585271601 1066381222 /nfs/dbraw/zinc/38/12/22/1066381222.db2.gz GGVKBAVZJFSLFX-HHHXNRCGSA-N 2 1 515.698 4.905 40 0 KJABMP OCCC[N@H+](Cc1cccc(OCC[NH+]2CCCCC2)c1)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000585271608 1066381308 /nfs/dbraw/zinc/38/13/08/1066381308.db2.gz GGVKBAVZJFSLFX-MHZLTWQESA-N 2 1 515.698 4.905 40 0 KJABMP COc1ccc(C[NH+]2CCC(COc3cccc(Cl)c3)(OC)CC2)cc1OCCn1cc[nH+]c1C ZINC000585271806 1066381769 /nfs/dbraw/zinc/38/17/69/1066381769.db2.gz OQVIGZLAGFZPNW-UHFFFAOYSA-N 2 1 500.039 4.993 40 0 KJABMP CCc1[nH+]ccn1CCCOc1ccc(C[N@H+]2CCC[C@](O)(COc3ccccc3F)CC2)cc1OC ZINC000585271833 1066381948 /nfs/dbraw/zinc/38/19/48/1066381948.db2.gz OXSVDXTWPPPHHN-GDLZYMKVSA-N 2 1 511.638 4.858 40 0 KJABMP CCc1[nH+]ccn1CCCOc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccccc3F)CC2)cc1OC ZINC000585271833 1066381932 /nfs/dbraw/zinc/38/19/32/1066381932.db2.gz OXSVDXTWPPPHHN-GDLZYMKVSA-N 2 1 511.638 4.858 40 0 KJABMP CCc1[nH+]ccn1CCCOc1ccc(C[N@H+]2CCC[C@@](O)(COc3ccccc3F)CC2)cc1OC ZINC000585271845 1066381448 /nfs/dbraw/zinc/38/14/48/1066381448.db2.gz OXSVDXTWPPPHHN-LJAQVGFWSA-N 2 1 511.638 4.858 40 0 KJABMP CCc1[nH+]ccn1CCCOc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccccc3F)CC2)cc1OC ZINC000585271845 1066381436 /nfs/dbraw/zinc/38/14/36/1066381436.db2.gz OXSVDXTWPPPHHN-LJAQVGFWSA-N 2 1 511.638 4.858 40 0 KJABMP CCc1[nH+]ccn1CCCOc1cc(C[NH+]2CCC(O)(COc3ccc(C)cc3C)CC2)ccc1OC ZINC000585272158 1066378914 /nfs/dbraw/zinc/37/89/14/1066378914.db2.gz QFFQEXRAPSLDQF-UHFFFAOYSA-N 2 1 507.675 4.946 40 0 KJABMP CCc1[nH+]ccn1CCOc1cc(C[N@H+]2CCC[C@@](O)(COc3ccc(C)cc3C)CC2)ccc1OC ZINC000585272191 1066378736 /nfs/dbraw/zinc/37/87/36/1066378736.db2.gz QMTKEEUBDUTYEU-PMERELPUSA-N 2 1 507.675 4.946 40 0 KJABMP CCc1[nH+]ccn1CCOc1cc(C[N@@H+]2CCC[C@@](O)(COc3ccc(C)cc3C)CC2)ccc1OC ZINC000585272191 1066378719 /nfs/dbraw/zinc/37/87/19/1066378719.db2.gz QMTKEEUBDUTYEU-PMERELPUSA-N 2 1 507.675 4.946 40 0 KJABMP CCc1[nH+]ccn1CCOc1cc(C[N@H+]2CCC[C@](O)(COc3ccc(C)cc3C)CC2)ccc1OC ZINC000585272194 1066378986 /nfs/dbraw/zinc/37/89/86/1066378986.db2.gz QMTKEEUBDUTYEU-SSEXGKCCSA-N 2 1 507.675 4.946 40 0 KJABMP CCc1[nH+]ccn1CCOc1cc(C[N@@H+]2CCC[C@](O)(COc3ccc(C)cc3C)CC2)ccc1OC ZINC000585272194 1066378977 /nfs/dbraw/zinc/37/89/77/1066378977.db2.gz QMTKEEUBDUTYEU-SSEXGKCCSA-N 2 1 507.675 4.946 40 0 KJABMP CCc1[nH+]ccn1CCOc1cc(C[N@H+]2CCC[C@](O)(COc3cc(C)ccc3Cl)C2)ccc1OC ZINC000585272235 1066383444 /nfs/dbraw/zinc/38/34/44/1066383444.db2.gz RIOYXBLHPJSKNX-MUUNZHRXSA-N 2 1 514.066 4.901 40 0 KJABMP CCc1[nH+]ccn1CCOc1cc(C[N@@H+]2CCC[C@](O)(COc3cc(C)ccc3Cl)C2)ccc1OC ZINC000585272235 1066383434 /nfs/dbraw/zinc/38/34/34/1066383434.db2.gz RIOYXBLHPJSKNX-MUUNZHRXSA-N 2 1 514.066 4.901 40 0 KJABMP CCc1[nH+]ccn1CCOc1cc(C[N@H+]2CCC[C@@](O)(COc3cc(C)ccc3Cl)C2)ccc1OC ZINC000585272236 1066383198 /nfs/dbraw/zinc/38/31/98/1066383198.db2.gz RIOYXBLHPJSKNX-NDEPHWFRSA-N 2 1 514.066 4.901 40 0 KJABMP CCc1[nH+]ccn1CCOc1cc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)ccc3Cl)C2)ccc1OC ZINC000585272236 1066383184 /nfs/dbraw/zinc/38/31/84/1066383184.db2.gz RIOYXBLHPJSKNX-NDEPHWFRSA-N 2 1 514.066 4.901 40 0 KJABMP CCc1[nH+]ccn1CCCOc1cc(C[N@H+]2CCC[C@](O)(COc3ccccc3F)CC2)ccc1OC ZINC000585272237 1066383564 /nfs/dbraw/zinc/38/35/64/1066383564.db2.gz RJWIXEBLVQPMDH-GDLZYMKVSA-N 2 1 511.638 4.858 40 0 KJABMP CCc1[nH+]ccn1CCCOc1cc(C[N@@H+]2CCC[C@](O)(COc3ccccc3F)CC2)ccc1OC ZINC000585272237 1066383550 /nfs/dbraw/zinc/38/35/50/1066383550.db2.gz RJWIXEBLVQPMDH-GDLZYMKVSA-N 2 1 511.638 4.858 40 0 KJABMP CCc1[nH+]ccn1CCCOc1cc(C[N@H+]2CCC[C@@](O)(COc3ccccc3F)CC2)ccc1OC ZINC000585272240 1066383626 /nfs/dbraw/zinc/38/36/26/1066383626.db2.gz RJWIXEBLVQPMDH-LJAQVGFWSA-N 2 1 511.638 4.858 40 0 KJABMP CCc1[nH+]ccn1CCCOc1cc(C[N@@H+]2CCC[C@@](O)(COc3ccccc3F)CC2)ccc1OC ZINC000585272240 1066383616 /nfs/dbraw/zinc/38/36/16/1066383616.db2.gz RJWIXEBLVQPMDH-LJAQVGFWSA-N 2 1 511.638 4.858 40 0 KJABMP CCc1[nH+]ccn1CCOc1ccc(C[NH+]2CCC(O)(COc3cc(C)ccc3Cl)CC2)cc1OC ZINC000585272267 1066385711 /nfs/dbraw/zinc/38/57/11/1066385711.db2.gz RSWVWFCQSDEEAB-UHFFFAOYSA-N 2 1 514.066 4.901 40 0 KJABMP CCc1[nH+]ccn1CCOc1ccc(C[N@H+]2CCC[C@@](O)(COc3ccc(C)cc3C)CC2)cc1OC ZINC000585272439 1066384637 /nfs/dbraw/zinc/38/46/37/1066384637.db2.gz UGCBQYWDMBJDAK-PMERELPUSA-N 2 1 507.675 4.946 40 0 KJABMP CCc1[nH+]ccn1CCOc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccc(C)cc3C)CC2)cc1OC ZINC000585272439 1066384622 /nfs/dbraw/zinc/38/46/22/1066384622.db2.gz UGCBQYWDMBJDAK-PMERELPUSA-N 2 1 507.675 4.946 40 0 KJABMP CCc1[nH+]ccn1CCOc1ccc(C[N@H+]2CCC[C@](O)(COc3ccc(C)cc3C)CC2)cc1OC ZINC000585272442 1066384937 /nfs/dbraw/zinc/38/49/37/1066384937.db2.gz UGCBQYWDMBJDAK-SSEXGKCCSA-N 2 1 507.675 4.946 40 0 KJABMP CCc1[nH+]ccn1CCOc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccc(C)cc3C)CC2)cc1OC ZINC000585272442 1066384920 /nfs/dbraw/zinc/38/49/20/1066384920.db2.gz UGCBQYWDMBJDAK-SSEXGKCCSA-N 2 1 507.675 4.946 40 0 KJABMP COc1ccc(C[NH+]2CCC(O)(COc3cc(C)ccc3Cl)CC2)cc1OCCn1cc[nH+]c1C ZINC000585272622 1066383968 /nfs/dbraw/zinc/38/39/68/1066383968.db2.gz UPDQWHFPJKPQCH-UHFFFAOYSA-N 2 1 500.039 4.647 40 0 KJABMP CCc1[nH+]ccn1CCCOc1cc(C[NH+]2CCC(O)(COc3cccc(Cl)c3)CC2)ccc1OC ZINC000585272639 1066384523 /nfs/dbraw/zinc/38/45/23/1066384523.db2.gz UZKCJGUBNRVFAW-UHFFFAOYSA-N 2 1 514.066 4.983 40 0 KJABMP COc1ccc(C[NH+]2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OCCn1cc[nH+]c1C ZINC000585272672 1066384565 /nfs/dbraw/zinc/38/45/65/1066384565.db2.gz VIJRALDKMJHCJC-UHFFFAOYSA-N 2 1 520.457 4.992 40 0 KJABMP CCc1[nH+]ccn1CCOc1ccc(C[N@H+]2CCC[C@](O)(COc3cc(C)ccc3Cl)C2)cc1OC ZINC000585272679 1066384998 /nfs/dbraw/zinc/38/49/98/1066384998.db2.gz VKQNWFXHPKMFRK-MUUNZHRXSA-N 2 1 514.066 4.901 40 0 KJABMP CCc1[nH+]ccn1CCOc1ccc(C[N@@H+]2CCC[C@](O)(COc3cc(C)ccc3Cl)C2)cc1OC ZINC000585272679 1066384984 /nfs/dbraw/zinc/38/49/84/1066384984.db2.gz VKQNWFXHPKMFRK-MUUNZHRXSA-N 2 1 514.066 4.901 40 0 KJABMP CCc1[nH+]ccn1CCOc1ccc(C[N@H+]2CCC[C@@](O)(COc3cc(C)ccc3Cl)C2)cc1OC ZINC000585272681 1066384486 /nfs/dbraw/zinc/38/44/86/1066384486.db2.gz VKQNWFXHPKMFRK-NDEPHWFRSA-N 2 1 514.066 4.901 40 0 KJABMP CCc1[nH+]ccn1CCOc1ccc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)ccc3Cl)C2)cc1OC ZINC000585272681 1066384472 /nfs/dbraw/zinc/38/44/72/1066384472.db2.gz VKQNWFXHPKMFRK-NDEPHWFRSA-N 2 1 514.066 4.901 40 0 KJABMP COc1cc(C[N@@H+](CCCO)C[C@@H](O)Cn2c(C)c(C)c3ccccc32)ccc1OCC[NH+]1CCC(C)CC1 ZINC000585272736 1066383910 /nfs/dbraw/zinc/38/39/10/1066383910.db2.gz MOALFUUKKNRAKQ-MUUNZHRXSA-N 2 1 537.745 4.623 40 0 KJABMP COc1ccc(C[N@H+]2CCC[C@](O)(COc3cc(C)ccc3Cl)C2)cc1OCCn1cc[nH+]c1C ZINC000585272737 1066383380 /nfs/dbraw/zinc/38/33/80/1066383380.db2.gz WGCOMGIMEHKZOV-HHHXNRCGSA-N 2 1 500.039 4.647 40 0 KJABMP COc1ccc(C[N@@H+]2CCC[C@](O)(COc3cc(C)ccc3Cl)C2)cc1OCCn1cc[nH+]c1C ZINC000585272737 1066383366 /nfs/dbraw/zinc/38/33/66/1066383366.db2.gz WGCOMGIMEHKZOV-HHHXNRCGSA-N 2 1 500.039 4.647 40 0 KJABMP COc1ccc(C[N@H+]2CCC[C@@](O)(COc3cc(C)ccc3Cl)C2)cc1OCCn1cc[nH+]c1C ZINC000585272739 1066383274 /nfs/dbraw/zinc/38/32/74/1066383274.db2.gz WGCOMGIMEHKZOV-MHZLTWQESA-N 2 1 500.039 4.647 40 0 KJABMP COc1ccc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)ccc3Cl)C2)cc1OCCn1cc[nH+]c1C ZINC000585272739 1066383263 /nfs/dbraw/zinc/38/32/63/1066383263.db2.gz WGCOMGIMEHKZOV-MHZLTWQESA-N 2 1 500.039 4.647 40 0 KJABMP COc1cc(C[N@@H+](CCCO)C[C@H](O)Cn2c(C)c(C)c3ccccc32)ccc1OCC[NH+]1CCC(C)CC1 ZINC000585272742 1066383663 /nfs/dbraw/zinc/38/36/63/1066383663.db2.gz MOALFUUKKNRAKQ-NDEPHWFRSA-N 2 1 537.745 4.623 40 0 KJABMP COc1ccc(C[NH+]2CCC(O)(COc3cc(C)c(Cl)c(C)c3)CC2)cc1OCCn1cc[nH+]c1C ZINC000585272815 1066383820 /nfs/dbraw/zinc/38/38/20/1066383820.db2.gz XBMIMWAJDAOLGI-UHFFFAOYSA-N 2 1 514.066 4.955 40 0 KJABMP COc1cc(C[NH+]2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OCCn1cc[nH+]c1C ZINC000585272847 1066383735 /nfs/dbraw/zinc/38/37/35/1066383735.db2.gz XOSBBHDRLLUDNA-UHFFFAOYSA-N 2 1 520.457 4.992 40 0 KJABMP CCc1[nH+]ccn1CCOc1cc(C[NH+]2CCC(O)(COc3cccc(Cl)c3)CC2)ccc1OC ZINC000585272877 1066382834 /nfs/dbraw/zinc/38/28/34/1066382834.db2.gz XXNRDCKRIHZHDE-UHFFFAOYSA-N 2 1 500.039 4.592 40 0 KJABMP COc1cc(C[N@@H+](C)C[C@@H](O)Cn2c3ccccc3nc2C(F)(F)F)ccc1OCC[NH+]1CCC(C)CC1 ZINC000585273141 1066386188 /nfs/dbraw/zinc/38/61/88/1066386188.db2.gz PNPPWIUXHKRJST-JOCHJYFZSA-N 2 1 534.623 4.667 40 0 KJABMP COc1cc(C[N@@H+](C)C[C@H](O)Cn2c3ccccc3nc2C(F)(F)F)ccc1OCC[NH+]1CCC(C)CC1 ZINC000585273150 1066385322 /nfs/dbraw/zinc/38/53/22/1066385322.db2.gz PNPPWIUXHKRJST-QFIPXVFZSA-N 2 1 534.623 4.667 40 0 KJABMP COc1cc(C[N@H+]2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)C2)ccc1OCCn1cc[nH+]c1C ZINC000585273288 1066385561 /nfs/dbraw/zinc/38/55/61/1066385561.db2.gz ZBZDXXLNDHMRPQ-MUUNZHRXSA-N 2 1 514.066 4.955 40 0 KJABMP COc1cc(C[N@@H+]2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)C2)ccc1OCCn1cc[nH+]c1C ZINC000585273288 1066385547 /nfs/dbraw/zinc/38/55/47/1066385547.db2.gz ZBZDXXLNDHMRPQ-MUUNZHRXSA-N 2 1 514.066 4.955 40 0 KJABMP COc1cc(C[N@H+]2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)ccc1OCCn1cc[nH+]c1C ZINC000585273290 1066385837 /nfs/dbraw/zinc/38/58/37/1066385837.db2.gz ZBZDXXLNDHMRPQ-NDEPHWFRSA-N 2 1 514.066 4.955 40 0 KJABMP COc1cc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)ccc1OCCn1cc[nH+]c1C ZINC000585273290 1066385822 /nfs/dbraw/zinc/38/58/22/1066385822.db2.gz ZBZDXXLNDHMRPQ-NDEPHWFRSA-N 2 1 514.066 4.955 40 0 KJABMP CCc1[nH+]ccn1Cc1cc(C[NH+]2CCC(Nc3ncnc4sc(C(=O)N5CCCC5)c(C)c43)CC2)ccc1OC ZINC000585293264 1066392341 /nfs/dbraw/zinc/39/23/41/1066392341.db2.gz DSCBTAYFXITBHS-UHFFFAOYSA-N 2 1 573.767 4.550 40 0 KJABMP CCC1=C[C@H]2C[NH+](C1)Cc1c3ccccc3[nH]c1[C@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@@]34CC[N@H+]3CC=C[C@@](CC)([C@@H]34)[C@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2 ZINC001528997591 1067171871 /nfs/dbraw/zinc/17/18/71/1067171871.db2.gz GBABOYUKABKIAF-SFTRWRQYSA-N 2 1 778.947 4.754 40 0 KJABMP CCC1=C[C@H]2C[NH+](C1)Cc1c3ccccc3[nH]c1[C@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@@]34CC[N@@H+]3CC=C[C@@](CC)([C@@H]34)[C@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2 ZINC001528997591 1067171860 /nfs/dbraw/zinc/17/18/60/1067171860.db2.gz GBABOYUKABKIAF-SFTRWRQYSA-N 2 1 778.947 4.754 40 0 KJABMP CCC1=C[C@H]2C[N@@H+](C1)Cc1c3ccccc3[nH]c1[C@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@@]34CC[NH+]3CC=C[C@@](CC)([C@@H]34)[C@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2 ZINC001528997591 1067171855 /nfs/dbraw/zinc/17/18/55/1067171855.db2.gz GBABOYUKABKIAF-SFTRWRQYSA-N 2 1 778.947 4.754 40 0 KJABMP CCC1=C[C@H]2C[NH+](C1)CCc1c3ccccc3[nH]c1[C@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@]34CC[N@@H+]3CC=C[C@@](CC)([C@@H]34)[C@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2 ZINC001529054288 1067172021 /nfs/dbraw/zinc/17/20/21/1067172021.db2.gz FFRFGVHNKJYNOV-NUDBSUFBSA-N 2 1 792.974 4.796 40 0 KJABMP CCC1=C[C@H]2C[N@@H+](C1)CCc1c3ccccc3[nH]c1[C@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@]34CC[NH+]3CC=C[C@@](CC)([C@@H]34)[C@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2 ZINC001529054288 1067172017 /nfs/dbraw/zinc/17/20/17/1067172017.db2.gz FFRFGVHNKJYNOV-NUDBSUFBSA-N 2 1 792.974 4.796 40 0 KJABMP CCC1=C[C@@H]2C[NH+](C1)Cc1c3ccccc3[nH]c1[C@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@]34CC[N@@H+]3CC=C[C@@](CC)([C@@H]34)[C@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2 ZINC001529054378 1067171982 /nfs/dbraw/zinc/17/19/82/1067171982.db2.gz GBABOYUKABKIAF-CFRNTICRSA-N 2 1 778.947 4.754 40 0 KJABMP CCC1=C[C@@H]2C[N@@H+](C1)Cc1c3ccccc3[nH]c1[C@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@]34CC[NH+]3CC=C[C@@](CC)([C@@H]34)[C@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2 ZINC001529054378 1067171969 /nfs/dbraw/zinc/17/19/69/1067171969.db2.gz GBABOYUKABKIAF-CFRNTICRSA-N 2 1 778.947 4.754 40 0 KJABMP