smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Clc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCCCC2)cc1 ZINC000002714444 209378393 /nfs/dbraw/zinc/37/83/93/209378393.db2.gz YNFWVZOWEYBYML-UHFFFAOYSA-N 1 1 388.902 5.731 50 0 GKAAMO c1csc(CNc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)c1 ZINC000001447540 209329879 /nfs/dbraw/zinc/32/98/79/209329879.db2.gz SROXNAMMCJVCBO-UHFFFAOYSA-N 1 1 382.492 5.761 50 0 GKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCCCC2)cc1 ZINC000001447733 209329887 /nfs/dbraw/zinc/32/98/87/209329887.db2.gz PCJVBRWENQSXPP-UHFFFAOYSA-N 1 1 398.510 5.477 50 0 GKAAMO O=C(Nc1c2c([nH+]c3c1CCCC3)CCC2)C(c1ccccc1)c1ccccc1 ZINC000000721614 212178225 /nfs/dbraw/zinc/17/82/25/212178225.db2.gz MVBTVLJCYMQFDD-UHFFFAOYSA-N 1 1 382.507 5.220 50 0 GKAAMO CCCC[N@@H+](C)CCCN(Cc1ccco1)C(=S)Nc1ccc(C)c(C)c1 ZINC000003662453 204017951 /nfs/dbraw/zinc/01/79/51/204017951.db2.gz KJRBUCSIWOCMBK-UHFFFAOYSA-N 1 1 387.593 5.217 50 0 GKAAMO Cc1cccc(Cn2cccc2C[N@@H+](Cc2cccc(F)c2F)[C@@H](C)C(C)C)c1 ZINC000004735735 204071045 /nfs/dbraw/zinc/07/10/45/204071045.db2.gz LSDNCVFVCJTSAR-FQEVSTJZSA-N 1 1 396.525 6.170 50 0 GKAAMO CCC[C@H](O)C[N@H+](Cc1cccn1Cc1ccccc1C)CC1CCCCC1 ZINC000004733838 204071275 /nfs/dbraw/zinc/07/12/75/204071275.db2.gz IXVOBRMJQGQZGU-VWLOTQADSA-N 1 1 382.592 5.388 50 0 GKAAMO Cc1cc(C)c(NC(=O)[C@@H]2CCCC[N@H+]2C23CC4CC(CC(C4)C2)C3)c(C)c1 ZINC000004990160 204101007 /nfs/dbraw/zinc/10/10/07/204101007.db2.gz MQBHDIRQAAYOCS-UQQXROCHSA-N 1 1 380.576 5.374 50 0 GKAAMO COc1cc(C[NH2+]Cc2ccccc2)c(Br)cc1OC1CCCC1 ZINC000005013963 204102776 /nfs/dbraw/zinc/10/27/76/204102776.db2.gz SNQXWEDASGPDRO-UHFFFAOYSA-N 1 1 390.321 5.069 50 0 GKAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccccc4Cl)o2)N3)C1 ZINC000006857634 204216568 /nfs/dbraw/zinc/21/65/68/204216568.db2.gz KPUYXHJRUAUDBX-SFHVURJKSA-N 1 1 399.903 5.078 50 0 GKAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccccc4Cl)o2)N3)C1 ZINC000006857634 204216572 /nfs/dbraw/zinc/21/65/72/204216572.db2.gz KPUYXHJRUAUDBX-SFHVURJKSA-N 1 1 399.903 5.078 50 0 GKAAMO Clc1ccc(OCCCC[N@H+]2CCCC[C@@H]2c2cccnc2)c2ccccc12 ZINC000006719417 204194395 /nfs/dbraw/zinc/19/43/95/204194395.db2.gz NWFJBZAKQAMEAA-HSZRJFAPSA-N 1 1 394.946 6.274 50 0 GKAAMO Cc1[nH+]c2cc(Nc3nnc(-c4ccc(Cl)cc4)c4ccccc34)ccc2n1C ZINC000008656901 204283564 /nfs/dbraw/zinc/28/35/64/204283564.db2.gz LAMOWJFBWVRKIB-UHFFFAOYSA-N 1 1 399.885 5.889 50 0 GKAAMO C[C@H](c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000009336667 204306794 /nfs/dbraw/zinc/30/67/94/204306794.db2.gz VZLMWVKMALNKHM-SOLBZPMBSA-N 1 1 393.556 5.225 50 0 GKAAMO C[C@H](c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000009336667 204306796 /nfs/dbraw/zinc/30/67/96/204306796.db2.gz VZLMWVKMALNKHM-SOLBZPMBSA-N 1 1 393.556 5.225 50 0 GKAAMO COc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3c3cccnc3)c(C)o2)c(C)c1C ZINC000011820983 204354973 /nfs/dbraw/zinc/35/49/73/204354973.db2.gz QNSFEGZVYCUVJJ-JOCHJYFZSA-N 1 1 391.515 5.398 50 0 GKAAMO COc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3c3cccnc3)c(C)o2)c(C)c1C ZINC000011820983 204354976 /nfs/dbraw/zinc/35/49/76/204354976.db2.gz QNSFEGZVYCUVJJ-JOCHJYFZSA-N 1 1 391.515 5.398 50 0 GKAAMO COc1cccc([C@H]2CCC[N@H+]2Cc2nc(-c3ccccc3OC)oc2C)c1 ZINC000011933821 204362864 /nfs/dbraw/zinc/36/28/64/204362864.db2.gz ZAEJNKLUJOLPRW-OAQYLSRUSA-N 1 1 378.472 5.004 50 0 GKAAMO O=C(Nc1cccc2ccccc21)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000011007973 204341357 /nfs/dbraw/zinc/34/13/57/204341357.db2.gz LOVQCFBXTYTMTJ-UHFFFAOYSA-N 1 1 393.918 5.233 50 0 GKAAMO O=C(Nc1cccc2ccccc21)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000011007973 204341363 /nfs/dbraw/zinc/34/13/63/204341363.db2.gz LOVQCFBXTYTMTJ-UHFFFAOYSA-N 1 1 393.918 5.233 50 0 GKAAMO COc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3c3cccnc3)c(C)o2)cc1C ZINC000012297748 204390308 /nfs/dbraw/zinc/39/03/08/204390308.db2.gz QXWKQSLUKJXAQU-NRFANRHFSA-N 1 1 377.488 5.089 50 0 GKAAMO COc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3c3cccnc3)c(C)o2)cc1C ZINC000012297748 204390310 /nfs/dbraw/zinc/39/03/10/204390310.db2.gz QXWKQSLUKJXAQU-NRFANRHFSA-N 1 1 377.488 5.089 50 0 GKAAMO Cc1ccc(CN(Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)s1 ZINC000012304175 204393513 /nfs/dbraw/zinc/39/35/13/204393513.db2.gz VDWYWIHJZIJUFW-QFIPXVFZSA-N 1 1 397.632 5.498 50 0 GKAAMO O=C1C2=C(CCCC2)[C@@H]([NH2+]Cc2ccc(F)cc2)N1[C@@H]1CCCc2ccccc21 ZINC000013940366 204517600 /nfs/dbraw/zinc/51/76/00/204517600.db2.gz NRUUXPMTCSCTPL-RPWUZVMVSA-N 1 1 390.502 5.032 50 0 GKAAMO Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@@H](O)Cc2ccccc2)c(C)c1 ZINC000036098997 205006626 /nfs/dbraw/zinc/00/66/26/205006626.db2.gz JOINITSSBQMBFL-VWLOTQADSA-N 1 1 377.503 5.048 50 0 GKAAMO CCC[N@@H+](Cc1ccc(C(O)(C=C(C)C)C=C(C)C)o1)Cc1ccc(OC)cc1 ZINC000036167691 205008666 /nfs/dbraw/zinc/00/86/66/205008666.db2.gz OJCNYCOKAKJMPL-UHFFFAOYSA-N 1 1 397.559 5.820 50 0 GKAAMO COc1ccc(OC)c(C[N@H+]2CCCn3cccc3[C@H]2c2cc(C)ccc2C)c1 ZINC000036348133 205012187 /nfs/dbraw/zinc/01/21/87/205012187.db2.gz RQONBWWAEZTKLP-RUZDIDTESA-N 1 1 390.527 5.117 50 0 GKAAMO COc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(C)cc2C)cc1OC ZINC000036348470 205012257 /nfs/dbraw/zinc/01/22/57/205012257.db2.gz SGVQCTVVIAOQPX-VWLOTQADSA-N 1 1 390.527 5.117 50 0 GKAAMO CC(C)c1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(F)cc2F)cc1 ZINC000036348191 205012897 /nfs/dbraw/zinc/01/28/97/205012897.db2.gz FGPBVSIXCVOJSB-DEOSSOPVSA-N 1 1 380.482 5.885 50 0 GKAAMO CC(C)c1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(F)cc2F)cc1 ZINC000036348191 205012899 /nfs/dbraw/zinc/01/28/99/205012899.db2.gz FGPBVSIXCVOJSB-DEOSSOPVSA-N 1 1 380.482 5.885 50 0 GKAAMO c1ccc(OC2=CC[N@@H+](CCCN(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000039281600 205041278 /nfs/dbraw/zinc/04/12/78/205041278.db2.gz NDSSAGBYFWYICD-UHFFFAOYSA-N 1 1 384.523 5.883 50 0 GKAAMO COc1ccccc1-c1ccccc1[PH+](C1CCCCC1)C1CCCCC1 ZINC000036442258 205017122 /nfs/dbraw/zinc/01/71/22/205017122.db2.gz YXJPHYNYXMEWKW-UHFFFAOYSA-N 1 1 380.512 7.135 50 0 GKAAMO CCc1cc([C@H](c2ccccn2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038546114 205037531 /nfs/dbraw/zinc/03/75/31/205037531.db2.gz KRGLVOYCBDVJND-HXUWFJFHSA-N 1 1 395.528 5.126 50 0 GKAAMO Cc1cccc(-n2cc(C[N@@H+](C)Cc3cccnc3)c(-c3cccc(F)c3)n2)c1 ZINC000055072912 205141279 /nfs/dbraw/zinc/14/12/79/205141279.db2.gz DUUVKCRLXATAJP-UHFFFAOYSA-N 1 1 386.474 5.014 50 0 GKAAMO Cc1cccc(-n2cc(C[N@H+](C)Cc3cccnc3)c(-c3cccc(F)c3)n2)c1 ZINC000055072912 205141282 /nfs/dbraw/zinc/14/12/82/205141282.db2.gz DUUVKCRLXATAJP-UHFFFAOYSA-N 1 1 386.474 5.014 50 0 GKAAMO CSc1ccc(C[N@@H+](Cc2ccc3cc(NC(C)=O)ccc3n2)C2CC2)cc1 ZINC000055327321 205147132 /nfs/dbraw/zinc/14/71/32/205147132.db2.gz XLBRNHSBIGEZFT-UHFFFAOYSA-N 1 1 391.540 5.080 50 0 GKAAMO C[C@H]([NH2+][C@@H](c1cccs1)c1ccc(F)cc1)C(=O)Nc1ccccc1Cl ZINC000057644972 205161219 /nfs/dbraw/zinc/16/12/19/205161219.db2.gz RRQDSXYZJNESQP-ORAYPTAESA-N 1 1 388.895 5.247 50 0 GKAAMO CC(C)(C)P1Cc2ccccc2[C@@H]1[C@H]1c2ccccc2C[P@H+]1C(C)(C)C ZINC000060290780 205179488 /nfs/dbraw/zinc/17/94/88/205179488.db2.gz HCBRTCFUVLYSKU-URFUVCHWSA-N 1 1 382.468 8.057 50 0 GKAAMO Cc1oc(-c2ccc(F)cc2F)nc1C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000055154673 209113399 /nfs/dbraw/zinc/11/33/99/209113399.db2.gz FZNVSXBYJYZABM-UHFFFAOYSA-N 1 1 396.359 5.579 50 0 GKAAMO Cc1oc(-c2ccc(F)cc2F)nc1C[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000055154673 209113405 /nfs/dbraw/zinc/11/34/05/209113405.db2.gz FZNVSXBYJYZABM-UHFFFAOYSA-N 1 1 396.359 5.579 50 0 GKAAMO CCCCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3cccs3)ccc21 ZINC000065322357 205230822 /nfs/dbraw/zinc/23/08/22/205230822.db2.gz ORTCLGYKSZIEOX-UHFFFAOYSA-N 1 1 396.560 5.136 50 0 GKAAMO CSc1ccc(-c2csc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)cc1 ZINC000065567464 205238379 /nfs/dbraw/zinc/23/83/79/205238379.db2.gz UTIIASMCKHUQPN-FQEVSTJZSA-N 1 1 382.554 5.106 50 0 GKAAMO CSc1ccc(-c2csc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)cc1 ZINC000065567464 205238385 /nfs/dbraw/zinc/23/83/85/205238385.db2.gz UTIIASMCKHUQPN-FQEVSTJZSA-N 1 1 382.554 5.106 50 0 GKAAMO CSc1ccc(-c2csc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)cc1 ZINC000065567470 205238544 /nfs/dbraw/zinc/23/85/44/205238544.db2.gz UTIIASMCKHUQPN-HXUWFJFHSA-N 1 1 382.554 5.106 50 0 GKAAMO CSc1ccc(-c2csc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)cc1 ZINC000065567470 205238547 /nfs/dbraw/zinc/23/85/47/205238547.db2.gz UTIIASMCKHUQPN-HXUWFJFHSA-N 1 1 382.554 5.106 50 0 GKAAMO Cc1ccc2[nH]c([C@H]([NH2+]Cc3cnc(-c4cccc(C)c4)nc3)C(C)C)nc2c1 ZINC000067678382 205254422 /nfs/dbraw/zinc/25/44/22/205254422.db2.gz GVKWRNPLLHEUSP-JOCHJYFZSA-N 1 1 385.515 5.124 50 0 GKAAMO Cc1ccc2nc([C@H]([NH2+]Cc3cnc(-c4cccc(C)c4)nc3)C(C)C)[nH]c2c1 ZINC000067678382 205254428 /nfs/dbraw/zinc/25/44/28/205254428.db2.gz GVKWRNPLLHEUSP-JOCHJYFZSA-N 1 1 385.515 5.124 50 0 GKAAMO FC(F)(F)c1cccc(CC[C@H]2CCC[N@@H+](Cc3cncn3C3CC3)C2)c1 ZINC000072143554 205310985 /nfs/dbraw/zinc/31/09/85/205310985.db2.gz OOSWQAKVBMXMOV-QGZVFWFLSA-N 1 1 377.454 5.082 50 0 GKAAMO Cn1cc(C[NH2+]Cc2nc(-c3ccccc3F)cs2)c(C2CCCCC2)n1 ZINC000253432086 206148259 /nfs/dbraw/zinc/14/82/59/206148259.db2.gz WEYORLMIELKRKH-UHFFFAOYSA-N 1 1 384.524 5.020 50 0 GKAAMO C[C@H]1CCCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)C1 ZINC000002974862 206450803 /nfs/dbraw/zinc/45/08/03/206450803.db2.gz XBIPDVDHYJLDGU-KRWDZBQOSA-N 1 1 386.474 5.463 50 0 GKAAMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2sccc2-c2ccc(F)cc2)C1 ZINC000078714188 211149780 /nfs/dbraw/zinc/14/97/80/211149780.db2.gz CJUOCLDYUCOARO-JXFKEZNVSA-N 1 1 394.515 5.120 50 0 GKAAMO COc1ccc([C@H]2CCCCC[N@@H+]2[C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 ZINC000014123304 207011310 /nfs/dbraw/zinc/01/13/10/207011310.db2.gz UMZYZWLHLXYLRD-LAUBAEHRSA-N 1 1 396.531 5.031 50 0 GKAAMO COc1ccc([C@H]2CCCCC[N@H+]2[C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 ZINC000014123304 207011315 /nfs/dbraw/zinc/01/13/15/207011315.db2.gz UMZYZWLHLXYLRD-LAUBAEHRSA-N 1 1 396.531 5.031 50 0 GKAAMO O=C1C2=C(CCCC2)[C@H]([NH2+]Cc2ccc(F)cc2)N1[C@@H]1CCCc2ccccc21 ZINC000013940365 207004879 /nfs/dbraw/zinc/00/48/79/207004879.db2.gz NRUUXPMTCSCTPL-DNQXCXABSA-N 1 1 390.502 5.032 50 0 GKAAMO COc1cc(-c2ccccc2C)cc2c1OCC[N@H+](Cc1cc3ccccc3[nH]1)C2 ZINC000014887687 207031705 /nfs/dbraw/zinc/03/17/05/207031705.db2.gz RZTXVCFMTDJKLI-UHFFFAOYSA-N 1 1 398.506 5.547 50 0 GKAAMO COc1cc(-c2ccccc2C)cc2c1OCC[N@@H+](Cc1cc3ccccc3[nH]1)C2 ZINC000014887687 207031710 /nfs/dbraw/zinc/03/17/10/207031710.db2.gz RZTXVCFMTDJKLI-UHFFFAOYSA-N 1 1 398.506 5.547 50 0 GKAAMO CSc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(F)cc3)C2)cc1 ZINC000015003818 207040464 /nfs/dbraw/zinc/04/04/64/207040464.db2.gz RZYVGFWEPYTLIZ-GOSISDBHSA-N 1 1 381.520 5.317 50 0 GKAAMO CSc1ccccc1C(=O)[C@@H]1CCC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000015074592 207046573 /nfs/dbraw/zinc/04/65/73/207046573.db2.gz RNCCLBXRJOACFL-LJQANCHMSA-N 1 1 376.525 5.052 50 0 GKAAMO CC[C@@H](C)C[N@H+]1CCC[C@H](c2nc(-c3ccncc3)ncc2-c2ccccc2)C1 ZINC000039360221 210761595 /nfs/dbraw/zinc/76/15/95/210761595.db2.gz CLVPDTFXZFHDDH-KNQAVFIVSA-N 1 1 386.543 5.431 50 0 GKAAMO CCc1ccc([C@H]([NH2+]CC(=O)Nc2cc(C)ccc2C)c2cccs2)cc1 ZINC000015366458 207049625 /nfs/dbraw/zinc/04/96/25/207049625.db2.gz RMIIJKBRITXPTC-QHCPKHFHSA-N 1 1 378.541 5.245 50 0 GKAAMO Fc1cc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c2c(c1)CO[C@@H](c1ccccc1)O2 ZINC000016695700 207077647 /nfs/dbraw/zinc/07/76/47/207077647.db2.gz DDWCKFWWUMGCPG-YLJYHZDGSA-N 1 1 395.396 5.208 50 0 GKAAMO Fc1cc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c2c(c1)CO[C@@H](c1ccccc1)O2 ZINC000016695700 207077651 /nfs/dbraw/zinc/07/76/51/207077651.db2.gz DDWCKFWWUMGCPG-YLJYHZDGSA-N 1 1 395.396 5.208 50 0 GKAAMO COc1ccc2oc(=O)cc(C[N@@H+](Cc3ccco3)[C@@H]3CCC[C@@H](C)[C@@H]3C)c2c1 ZINC000020446877 207192695 /nfs/dbraw/zinc/19/26/95/207192695.db2.gz DUYKSUKMPDEBPO-HYFFOGBASA-N 1 1 395.499 5.222 50 0 GKAAMO Cc1ccc(CC[NH2+][C@@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cc1 ZINC000020988578 207222575 /nfs/dbraw/zinc/22/25/75/207222575.db2.gz ORXCMOIPEJSORJ-JOCHJYFZSA-N 1 1 387.458 5.106 50 0 GKAAMO CCc1c(C)sc2c1CC[N@H+](CC(=O)Nc1ccccc1)[C@@H]2c1ccccc1 ZINC000021045646 207224877 /nfs/dbraw/zinc/22/48/77/207224877.db2.gz ADRCHOONPNVCHU-HSZRJFAPSA-N 1 1 390.552 5.205 50 0 GKAAMO CCc1c(C)sc2c1CC[N@@H+](CC(=O)Nc1ccccc1)[C@@H]2c1ccccc1 ZINC000021045646 207224881 /nfs/dbraw/zinc/22/48/81/207224881.db2.gz ADRCHOONPNVCHU-HSZRJFAPSA-N 1 1 390.552 5.205 50 0 GKAAMO Cc1c2ccc(C)cc2oc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000028287781 207339065 /nfs/dbraw/zinc/33/90/65/207339065.db2.gz YAPLIYGKYGPHFW-FQEVSTJZSA-N 1 1 396.918 5.270 50 0 GKAAMO CSc1ccc2cc(C[N@H+]3CCC[C@@H](O)C3)c(-c3ccc(Cl)cc3)nc2c1 ZINC000072472838 208029675 /nfs/dbraw/zinc/02/96/75/208029675.db2.gz YGVQORYUCPEQIG-LJQANCHMSA-N 1 1 398.959 5.234 50 0 GKAAMO Cc1cccc([C@@H]2C[C@@H](C(=O)Nc3ccccc3)C[N@@H+](Cc3ccccc3)C2)c1 ZINC000096236628 208291180 /nfs/dbraw/zinc/29/11/80/208291180.db2.gz QGYWTGZWCAOYTI-DNQXCXABSA-N 1 1 384.523 5.239 50 0 GKAAMO CC(C)CNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1Cl ZINC000021798066 210393890 /nfs/dbraw/zinc/39/38/90/210393890.db2.gz MOFHEXQNIOTVTH-UHFFFAOYSA-N 1 1 376.891 5.809 50 0 GKAAMO Fc1ccc([C@@H]([NH2+]CCC2=CCCCC2)c2nnc(-c3ccccc3)o2)cc1 ZINC000020988527 210372169 /nfs/dbraw/zinc/37/21/69/210372169.db2.gz NFJDVGUSCASTNC-OAQYLSRUSA-N 1 1 377.463 5.445 50 0 GKAAMO Fc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)cc1F ZINC000020598349 210350856 /nfs/dbraw/zinc/35/08/56/210350856.db2.gz CZPDLHATWPOPCA-CQSZACIVSA-N 1 1 389.396 5.013 50 0 GKAAMO O=C(NC1CCCCCCC1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000020567861 210348360 /nfs/dbraw/zinc/34/83/60/210348360.db2.gz LBSIYPGHVJJMNG-UHFFFAOYSA-N 1 1 376.544 5.088 50 0 GKAAMO FC(F)(F)Oc1ccc([C@H]2c3ccsc3CC[N@H+]2Cc2ccccn2)cc1 ZINC000019835154 210301347 /nfs/dbraw/zinc/30/13/47/210301347.db2.gz ANSDVXNZZFSGFO-IBGZPJMESA-N 1 1 390.430 5.189 50 0 GKAAMO FC(F)(F)Oc1ccc([C@H]2c3ccsc3CC[N@@H+]2Cc2ccccn2)cc1 ZINC000019835154 210301351 /nfs/dbraw/zinc/30/13/51/210301351.db2.gz ANSDVXNZZFSGFO-IBGZPJMESA-N 1 1 390.430 5.189 50 0 GKAAMO Cc1ncc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)s1 ZINC000019836869 210301417 /nfs/dbraw/zinc/30/14/17/210301417.db2.gz MSDMSECZCXWOFN-OAQYLSRUSA-N 1 1 376.525 5.213 50 0 GKAAMO COc1ccccc1-c1nc(C[N@H+]2CCC[C@@H](c3cccc(C)c3)C2)c(C)o1 ZINC000019884836 210304278 /nfs/dbraw/zinc/30/42/78/210304278.db2.gz QQUIKEOGZJYBSM-HXUWFJFHSA-N 1 1 376.500 5.347 50 0 GKAAMO C[C@H]1[C@H]2CC[C@@H](C)C[N@H+]2[C@H]2C[C@@H]3[C@@H]4CC=C5C=CCC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]12 ZINC000253623584 209044441 /nfs/dbraw/zinc/04/44/41/209044441.db2.gz MVUKDQDMGIMFPT-SPQBDHHPSA-N 1 1 379.632 6.460 50 0 GKAAMO C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000008074661 221025994 /nfs/dbraw/zinc/02/59/94/221025994.db2.gz XYNXZFMFPIJFAE-OAHLLOKOSA-N 1 1 390.512 5.287 50 0 GKAAMO Clc1ccc(OCCC[N@H+]2CCCC[C@H]2c2cccnc2)c2ccccc12 ZINC000008742591 221053591 /nfs/dbraw/zinc/05/35/91/221053591.db2.gz LBPIAAWOVWKQMR-QFIPXVFZSA-N 1 1 380.919 5.884 50 0 biogenic GKAAMO CC(C)n1cc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)cn1 ZINC000011813641 221126839 /nfs/dbraw/zinc/12/68/39/221126839.db2.gz WCAYVWTXCIEJMQ-XMMPIXPASA-N 1 1 387.527 5.226 50 0 GKAAMO CC(C)n1cc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)cn1 ZINC000011813641 221126844 /nfs/dbraw/zinc/12/68/44/221126844.db2.gz WCAYVWTXCIEJMQ-XMMPIXPASA-N 1 1 387.527 5.226 50 0 GKAAMO Cc1oc(-c2cccc(C)c2)nc1C[N@H+]1CCCC[C@H]1CCc1ccccn1 ZINC000011662565 221118959 /nfs/dbraw/zinc/11/89/59/221118959.db2.gz YMIVNLFHTRDMSO-QFIPXVFZSA-N 1 1 375.516 5.341 50 0 GKAAMO COc1cc(-c2nc(C[N@H+](Cc3ccccc3)CC3CC3)c(C)o2)ccc1F ZINC000012051799 221144280 /nfs/dbraw/zinc/14/42/80/221144280.db2.gz YYGXZVAGHFCSCM-UHFFFAOYSA-N 1 1 380.463 5.210 50 0 GKAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@@H+](CCC(C)C)C2)cc1 ZINC000012455538 221198432 /nfs/dbraw/zinc/19/84/32/221198432.db2.gz GHZMPHQBHAWFRM-FQEVSTJZSA-N 1 1 380.532 5.059 50 0 GKAAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000012856812 221238648 /nfs/dbraw/zinc/23/86/48/221238648.db2.gz QDQVYMCVPNDTTF-JOCHJYFZSA-N 1 1 380.532 5.176 50 0 GKAAMO C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+](C)Cc1cccc(Cl)c1 ZINC000013058948 221258741 /nfs/dbraw/zinc/25/87/41/221258741.db2.gz VSYKGJMXVFGFTG-GOSISDBHSA-N 1 1 392.930 5.066 50 0 GKAAMO C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000013058948 221258743 /nfs/dbraw/zinc/25/87/43/221258743.db2.gz VSYKGJMXVFGFTG-GOSISDBHSA-N 1 1 392.930 5.066 50 0 GKAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2ccccc2Cl)cc1 ZINC000013758879 221288288 /nfs/dbraw/zinc/28/82/88/221288288.db2.gz BYWHFODVRVSDOY-MDNUFGMLSA-N 1 1 385.935 5.217 50 0 GKAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@@H+](CC(C)(C)C)C2)cc1 ZINC000014964451 221322389 /nfs/dbraw/zinc/32/23/89/221322389.db2.gz CYTMGDNATAILEF-IBGZPJMESA-N 1 1 380.532 5.059 50 0 GKAAMO O=C(CC[C@H]1CCC[N@H+](Cc2sc3ccccc3c2Cl)C1)N1CCCC1 ZINC000015079378 221333115 /nfs/dbraw/zinc/33/31/15/221333115.db2.gz ONQJRSPXJULCRX-MRXNPFEDSA-N 1 1 390.980 5.169 50 0 GKAAMO FC(F)(F)[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000015443840 221336688 /nfs/dbraw/zinc/33/66/88/221336688.db2.gz CAJDEKFKGHLHPF-IBGZPJMESA-N 1 1 385.433 5.314 50 0 GKAAMO CSc1ccccc1C(=O)[C@H]1CCC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000015074593 221331597 /nfs/dbraw/zinc/33/15/97/221331597.db2.gz RNCCLBXRJOACFL-IBGZPJMESA-N 1 1 376.525 5.052 50 0 GKAAMO Cc1ccc([C@@H](CNC(=O)c2sc3ccccc3c2Cl)[NH+]2CCCC2)o1 ZINC000015860455 221349309 /nfs/dbraw/zinc/34/93/09/221349309.db2.gz GHCRMLZAHCTPPQ-OAHLLOKOSA-N 1 1 388.920 5.023 50 0 GKAAMO Cc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)c3c(C)cc(C)cc3[nH]2)cc1 ZINC000015862319 221350079 /nfs/dbraw/zinc/35/00/79/221350079.db2.gz XCYABYSKFDHVBM-UHFFFAOYSA-N 1 1 396.534 5.656 50 0 GKAAMO CC(C)C[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)c2cc(Cl)ccc2[nH]1 ZINC000015862295 221350493 /nfs/dbraw/zinc/35/04/93/221350493.db2.gz LBCADIVVPKPLQM-UHFFFAOYSA-N 1 1 389.326 5.493 50 0 GKAAMO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000017312429 221383723 /nfs/dbraw/zinc/38/37/23/221383723.db2.gz JIBDICXRBKLWPY-AWEZNQCLSA-N 1 1 388.342 5.706 50 0 GKAAMO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000017312427 221384150 /nfs/dbraw/zinc/38/41/50/221384150.db2.gz JIBDICXRBKLWPY-CQSZACIVSA-N 1 1 388.342 5.706 50 0 GKAAMO CC[N@@H+](Cc1ccc(C(=O)N2CCSc3ccc(Cl)cc32)cc1)C(C)C ZINC000060350648 136155769 /nfs/dbraw/zinc/15/57/69/136155769.db2.gz IVYQCTHZMIVHOA-UHFFFAOYSA-N 1 1 388.964 5.323 50 0 GKAAMO Fc1ccccc1C[N@H+]1CCCC12CCN(c1ccc3ncccc3c1)CC2 ZINC000072431227 136170039 /nfs/dbraw/zinc/17/00/39/136170039.db2.gz QHTVPUKJCRJMAH-UHFFFAOYSA-N 1 1 375.491 5.009 50 0 GKAAMO Clc1cccc2ccc(N3CCC[C@@H](c4[nH+]ccn4CC4CCC4)C3)nc12 ZINC000095500150 136179859 /nfs/dbraw/zinc/17/98/59/136179859.db2.gz AXXVBUOLHJBYEI-GOSISDBHSA-N 1 1 380.923 5.269 50 0 GKAAMO CSc1ccc2c(C)cc(N3CCC[C@H](c4[nH+]ccn4C(C)C)C3)nc2c1 ZINC000095525608 136181416 /nfs/dbraw/zinc/18/14/16/136181416.db2.gz OHFFZHWKKYGSGM-KRWDZBQOSA-N 1 1 380.561 5.427 50 0 GKAAMO C[C@@H]1[C@H]2CC[C@H](C)C[N@H+]2[C@@H]2C[C@@H]3[C@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]21 ZINC000257348295 209080950 /nfs/dbraw/zinc/08/09/50/209080950.db2.gz DCQBOIHKCBTVFH-SPAZHGMOSA-N 1 1 397.647 5.943 50 0 GKAAMO Cc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2N1CCCCCC1 ZINC000021798053 221541900 /nfs/dbraw/zinc/54/19/00/221541900.db2.gz GZLQLEVLYZFTBO-UHFFFAOYSA-N 1 1 382.511 5.776 50 0 GKAAMO Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@@H]2c2cccn2C)c1 ZINC000057281184 222029375 /nfs/dbraw/zinc/02/93/75/222029375.db2.gz FHVSZSPDDLNBLU-DNQXCXABSA-N 1 1 387.527 5.159 50 0 GKAAMO Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@@H]2c2cccn2C)c1 ZINC000057281184 222029380 /nfs/dbraw/zinc/02/93/80/222029380.db2.gz FHVSZSPDDLNBLU-DNQXCXABSA-N 1 1 387.527 5.159 50 0 GKAAMO C[C@H]([NH2+]Cc1nc2ccc(Cl)cc2c(=O)[nH]1)c1ccc(-c2ccccc2)cc1 ZINC000049580931 222001292 /nfs/dbraw/zinc/00/12/92/222001292.db2.gz BKWDFMXIEJIXNL-HNNXBMFYSA-N 1 1 389.886 5.094 50 0 GKAAMO CC[N@@H+](Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1)Cc1ccncc1 ZINC000055118808 222015641 /nfs/dbraw/zinc/01/56/41/222015641.db2.gz DWLIYOLWIXGRBG-UHFFFAOYSA-N 1 1 398.510 5.297 50 0 GKAAMO Cc1ccc(C)c(C[N@@H+]2CCCN(C(=S)Nc3ccc(C)c(Cl)c3)C2)c1 ZINC000058096681 222039821 /nfs/dbraw/zinc/03/98/21/222039821.db2.gz FITIKGRTMLEZOX-UHFFFAOYSA-N 1 1 387.980 5.127 50 0 GKAAMO Cc1ccc(C)c(C[N@H+]2CCCN(C(=S)Nc3ccc(C)c(Cl)c3)C2)c1 ZINC000058096681 222039824 /nfs/dbraw/zinc/03/98/24/222039824.db2.gz FITIKGRTMLEZOX-UHFFFAOYSA-N 1 1 387.980 5.127 50 0 GKAAMO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)Nc1ccccc1-c1ccccc1 ZINC000058163270 222042408 /nfs/dbraw/zinc/04/24/08/222042408.db2.gz XQRZYCLHTWFUFS-UHFFFAOYSA-N 1 1 392.502 5.671 50 0 GKAAMO CN1N=C2/C(=C/c3ccccc3)C[N@H+](Cc3ccccc3)C[C@H]2[C@H]1c1ccccc1 ZINC000063111068 222066517 /nfs/dbraw/zinc/06/65/17/222066517.db2.gz SPPOYKISQNMIHA-AOOMJTDYSA-N 1 1 393.534 5.245 50 0 GKAAMO Cc1cccc(C(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCCC2)n3C(C)C)c1 ZINC000065322264 222123513 /nfs/dbraw/zinc/12/35/13/222123513.db2.gz IOYRLGDQPJQURR-UHFFFAOYSA-N 1 1 390.531 5.164 50 0 GKAAMO C[C@@H](C[N@H+]1CCOc2c(O)cc(-c3ccc(Cl)cn3)cc2C1)c1ccccc1 ZINC000067540747 222147824 /nfs/dbraw/zinc/14/78/24/222147824.db2.gz GCFGPHZMOXBKTO-INIZCTEOSA-N 1 1 394.902 5.106 50 0 GKAAMO Cc1cc(C)c(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c(C)c1 ZINC000072280562 222218463 /nfs/dbraw/zinc/21/84/63/222218463.db2.gz DZDKASNOADFFLJ-KRWDZBQOSA-N 1 1 379.548 5.165 50 0 GKAAMO CSc1ccc2cc(C[NH+]3CCN(C)CC3)c(-c3ccc(Cl)cc3)nc2c1 ZINC000072432576 222261492 /nfs/dbraw/zinc/26/14/92/222261492.db2.gz SFKMPGRVKJMXPG-UHFFFAOYSA-N 1 1 397.975 5.025 50 0 GKAAMO Cc1cc(C)n(C2C[NH+](Cc3cc4cccc(C)c4nc3-c3cccs3)C2)n1 ZINC000072475799 222264295 /nfs/dbraw/zinc/26/42/95/222264295.db2.gz KZJPUDDOANZWHU-UHFFFAOYSA-N 1 1 388.540 5.142 50 0 GKAAMO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccsc3)cc2)c1 ZINC000095528933 222353698 /nfs/dbraw/zinc/35/36/98/222353698.db2.gz NQKNLMFWUPSSRA-QFIPXVFZSA-N 1 1 392.524 5.027 50 0 GKAAMO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccsc3)cc2)c1 ZINC000095528933 222353700 /nfs/dbraw/zinc/35/37/00/222353700.db2.gz NQKNLMFWUPSSRA-QFIPXVFZSA-N 1 1 392.524 5.027 50 0 GKAAMO O=C(Nc1ccc(Cl)cc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019761360 570216771 /nfs/dbraw/zinc/21/67/71/570216771.db2.gz MRLAGAZWHNUUGA-UHFFFAOYSA-N 1 1 376.887 5.151 50 0 GKAAMO Cc1ccc(C(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019842188 570225352 /nfs/dbraw/zinc/22/53/52/570225352.db2.gz IIHVCYVBEBZSOS-UHFFFAOYSA-N 1 1 386.564 5.078 50 0 GKAAMO COC[C@@H](C)Nc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000001447628 570225784 /nfs/dbraw/zinc/22/57/84/570225784.db2.gz VMXRSTJEXPLJIA-OAHLLOKOSA-N 1 1 392.890 5.188 50 0 GKAAMO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3cccs3)oc2C)cc1OC ZINC000048325520 570236082 /nfs/dbraw/zinc/23/60/82/570236082.db2.gz YAIJWLAPTQRGQE-QGZVFWFLSA-N 1 1 384.501 5.066 50 0 GKAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3cccs3)oc2C)cc1OC ZINC000048325520 570236088 /nfs/dbraw/zinc/23/60/88/570236088.db2.gz YAIJWLAPTQRGQE-QGZVFWFLSA-N 1 1 384.501 5.066 50 0 GKAAMO CC[C@H](C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000023309884 570237036 /nfs/dbraw/zinc/23/70/36/570237036.db2.gz BRZFGKAKMYUPDZ-VWLOTQADSA-N 1 1 398.550 5.114 50 0 GKAAMO Fc1ccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c(F)c1 ZINC000020138497 570242353 /nfs/dbraw/zinc/24/23/53/570242353.db2.gz RTJTTWQXCDMBIS-ZDUSSCGKSA-N 1 1 389.396 5.013 50 0 GKAAMO Cc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)c3cc(C)ccc3[nH]2)cc1 ZINC000015862318 570278865 /nfs/dbraw/zinc/27/88/65/570278865.db2.gz GEWDDKYAKRCZMS-UHFFFAOYSA-N 1 1 382.507 5.347 50 0 GKAAMO CCOc1ccc(C(=O)Nc2cccc(CCc3nc4ccc(C)cc4[nH]3)c2)cc1 ZINC000015863595 570279489 /nfs/dbraw/zinc/27/94/89/570279489.db2.gz VSEVIIKZNVAZMN-UHFFFAOYSA-N 1 1 399.494 5.308 50 0 GKAAMO CC[C@@H](C(=O)Nc1cccc(CCc2nc3ccc(C)cc3[nH]2)c1)c1ccccc1 ZINC000015863586 570279556 /nfs/dbraw/zinc/27/95/56/570279556.db2.gz ORTGDPCOKPNCMO-JOCHJYFZSA-N 1 1 397.522 5.789 50 0 GKAAMO CSc1ccc(C[N@@H+]2CCCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)cc1 ZINC000022078017 570305390 /nfs/dbraw/zinc/30/53/90/570305390.db2.gz BNXOGEFXUVQPRS-QHCPKHFHSA-N 1 1 376.569 5.955 50 0 GKAAMO CSc1ccc(C[N@H+]2CCCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)cc1 ZINC000022078017 570305393 /nfs/dbraw/zinc/30/53/93/570305393.db2.gz BNXOGEFXUVQPRS-QHCPKHFHSA-N 1 1 376.569 5.955 50 0 GKAAMO COc1ccc(OC)c(-c2cccc(-c3nc(C[N@@H+](C)CC(C)C)cs3)c2)c1 ZINC000023332036 570319588 /nfs/dbraw/zinc/31/95/88/570319588.db2.gz MAOAPMWKIXAZPW-UHFFFAOYSA-N 1 1 396.556 5.582 50 0 GKAAMO Cc1cccc(C[N@H+](Cc2cccn2Cc2ccc(F)cc2)[C@H](C)C(C)C)c1 ZINC000035843768 570342991 /nfs/dbraw/zinc/34/29/91/570342991.db2.gz GWQDIRRHYTXTGN-OAQYLSRUSA-N 1 1 378.535 6.031 50 0 GKAAMO C[C@H](c1nnc(-c2ccccc2)o1)[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000035362413 570344726 /nfs/dbraw/zinc/34/47/26/570344726.db2.gz ZRMOYBFYPALLGV-WBVHZDCISA-N 1 1 390.512 5.287 50 0 GKAAMO OC(c1ccccc1)(c1ccccc1)[C@@H]1CC[N@H+]2C[C@@H](c3ccccc3)C[C@H]2C1 ZINC000004851661 570347182 /nfs/dbraw/zinc/34/71/82/570347182.db2.gz XSLGPTMCZRXAJH-DFCKQENNSA-N 1 1 383.535 5.191 50 0 GKAAMO CC(C)n1c(C[NH+]2CCCCC2)nc2cc(NC(=O)C3CCCCC3)ccc21 ZINC000035476067 570365232 /nfs/dbraw/zinc/36/52/32/570365232.db2.gz ASIMRNYNROFGAL-UHFFFAOYSA-N 1 1 382.552 5.122 50 0 GKAAMO Cc1ccc(-c2nc(C[NH+]3CCC(c4nc5ccccc5o4)CC3)co2)c(C)c1 ZINC000024828505 570394385 /nfs/dbraw/zinc/39/43/85/570394385.db2.gz VWEBZTJCYGVKSW-UHFFFAOYSA-N 1 1 387.483 5.479 50 0 GKAAMO CC(C)[N@@H+](CCCNC(=O)c1csc2c1CCCCC2)Cc1ccccc1 ZINC000005070478 570411167 /nfs/dbraw/zinc/41/11/67/570411167.db2.gz BIQATGLYDPNZQJ-UHFFFAOYSA-N 1 1 384.589 5.048 50 0 GKAAMO CC[C@H](C)[N@@H+](CCNC(=O)c1csc2c1CCCCC2)C1CCCCC1 ZINC000005070489 570411219 /nfs/dbraw/zinc/41/12/19/570411219.db2.gz SVYDKBJCWDTFCQ-KRWDZBQOSA-N 1 1 376.610 5.180 50 0 GKAAMO CCCC[N@@H+](CCCNC(=O)c1csc2c1CC[C@H](C)C2)Cc1ccccc1 ZINC000005070274 570411328 /nfs/dbraw/zinc/41/13/28/570411328.db2.gz CPPNONULSSGUSW-IBGZPJMESA-N 1 1 398.616 5.295 50 0 GKAAMO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@H+]([C@@H]1CC[C@H](C)C1)CC2 ZINC000005033065 570425230 /nfs/dbraw/zinc/42/52/30/570425230.db2.gz ISLQETMKIRTGFE-YWBKXGLFSA-N 1 1 385.935 5.493 50 0 GKAAMO C[C@@H]1[C@H]2CC[C@H](C)C[N@H+]2[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 ZINC000008220551 570456166 /nfs/dbraw/zinc/45/61/66/570456166.db2.gz JVKYZPBMZPJNAJ-OQFNDJACSA-N 1 1 397.647 5.655 50 0 endogenous,in-man GKAAMO Cc1ccccc1C[N@H+](Cc1cccn1Cc1ccccc1F)[C@H](C)C(C)C ZINC000035841055 570463251 /nfs/dbraw/zinc/46/32/51/570463251.db2.gz GTWQTGOGLLQFDG-OAQYLSRUSA-N 1 1 378.535 6.031 50 0 GKAAMO Cc1ccccc1Cn1cccc1C[N@H+](CCC(C)C)Cc1cccc(F)c1 ZINC000035841108 570463938 /nfs/dbraw/zinc/46/39/38/570463938.db2.gz MSGQARDNJNDNCF-UHFFFAOYSA-N 1 1 378.535 6.032 50 0 GKAAMO CC(C)CC[N@@H+](Cc1cccn1Cc1ccccc1F)Cc1ccccc1F ZINC000035841245 570463962 /nfs/dbraw/zinc/46/39/62/570463962.db2.gz YMMZYBIWWVYYOK-UHFFFAOYSA-N 1 1 382.498 5.863 50 0 GKAAMO CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CC[N@H+]1Cc1ccccc1F ZINC000005163795 570468757 /nfs/dbraw/zinc/46/87/57/570468757.db2.gz IFBKQBARPJGXJC-ZTCOLXNVSA-N 1 1 383.507 5.093 50 0 GKAAMO CCOc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CC[N@H+]1C/C=C/c1ccccc1 ZINC000006554679 570475654 /nfs/dbraw/zinc/47/56/54/570475654.db2.gz YHYQZSVKBBWONV-QHQYTOEFSA-N 1 1 391.555 5.467 50 0 biogenic GKAAMO c1sc(-c2ccccc2)nc1C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000006589084 570486649 /nfs/dbraw/zinc/48/66/49/570486649.db2.gz RLWJKJCKOUYWNT-UHFFFAOYSA-N 1 1 391.565 5.799 50 0 GKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000002714735 570509304 /nfs/dbraw/zinc/50/93/04/570509304.db2.gz CPOBJOIMBCWLQI-WOJBJXKFSA-N 1 1 396.538 5.878 50 0 GKAAMO COCCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000002714592 570509440 /nfs/dbraw/zinc/50/94/40/570509440.db2.gz NOWJUJFZXMVNJA-UHFFFAOYSA-N 1 1 392.890 5.189 50 0 GKAAMO CC(C)OCCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000002714828 570509718 /nfs/dbraw/zinc/50/97/18/570509718.db2.gz FVGBYMMMWSGMLL-UHFFFAOYSA-N 1 1 386.499 5.315 50 0 GKAAMO C[N@H+]1CCC[C@@H](COC(=O)c2cccs2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000078822789 570509767 /nfs/dbraw/zinc/50/97/67/570509767.db2.gz DCXDMCARLIRQIN-YOEHRIQHSA-N 1 1 383.435 5.007 50 0 GKAAMO CCCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000002715001 570509829 /nfs/dbraw/zinc/50/98/29/570509829.db2.gz WGIZDLJBFKGPAA-UHFFFAOYSA-N 1 1 376.891 5.953 50 0 GKAAMO Cc1ccc(NC(=O)[C@@H]([NH2+][C@@H](C)c2ccccc2)c2ccccc2)cc1Cl ZINC000006638968 570512734 /nfs/dbraw/zinc/51/27/34/570512734.db2.gz XJKPJWJLCXMMDQ-JTSKRJEESA-N 1 1 378.903 5.679 50 0 GKAAMO COc1ccc(C[N@H+]2CCCCC[C@@H]2c2sccc2C)c(OC)c1OC ZINC000033087130 570519609 /nfs/dbraw/zinc/51/96/09/570519609.db2.gz LYJSPIKTVLJFDM-QGZVFWFLSA-N 1 1 375.534 5.200 50 0 GKAAMO COc1ccc(C[N@H+]2CCCCC[C@@H]2c2ccc(C)s2)c(OC)c1OC ZINC000033087132 570519716 /nfs/dbraw/zinc/51/97/16/570519716.db2.gz BLAFDTIQJUWGBS-QGZVFWFLSA-N 1 1 375.534 5.200 50 0 GKAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CCCCC[C@H]1c1sccc1C ZINC000033087177 570519728 /nfs/dbraw/zinc/51/97/28/570519728.db2.gz SQHMYRUIBKJHEV-KRWDZBQOSA-N 1 1 375.534 5.200 50 0 GKAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCCCC[C@H]2c2cccs2)cc1OC ZINC000033087079 570519839 /nfs/dbraw/zinc/51/98/39/570519839.db2.gz NANSURGIDQRDOQ-SFHVURJKSA-N 1 1 397.544 5.273 50 0 GKAAMO COc1cc(C[N@H+]2CCCCC[C@H]2c2ccc(C)s2)cc(OC)c1OC ZINC000033087281 570519911 /nfs/dbraw/zinc/51/99/11/570519911.db2.gz ALOIAWSCXZGKSN-KRWDZBQOSA-N 1 1 375.534 5.200 50 0 GKAAMO COc1ccc(OC)c(-c2n[nH]cc2C[N@H+]2CCCCC[C@@H]2c2cccs2)c1 ZINC000033087088 570519941 /nfs/dbraw/zinc/51/99/41/570519941.db2.gz JINHFIWIPRSXSW-LJQANCHMSA-N 1 1 397.544 5.273 50 0 GKAAMO C[C@@H]1CCCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)C1 ZINC000002974864 570524453 /nfs/dbraw/zinc/52/44/53/570524453.db2.gz XBIPDVDHYJLDGU-QGZVFWFLSA-N 1 1 386.474 5.463 50 0 GKAAMO COc1cc(C[N@H+]2CCCC[C@H]2c2cccnc2)ccc1OCc1ccccc1 ZINC000001193397 570535328 /nfs/dbraw/zinc/53/53/28/570535328.db2.gz RPBNMMZXDHWKHD-QHCPKHFHSA-N 1 1 388.511 5.396 50 0 GKAAMO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000096005660 570542414 /nfs/dbraw/zinc/54/24/14/570542414.db2.gz BKRAISJGKNFHNY-MRXNPFEDSA-N 1 1 376.529 5.009 50 0 GKAAMO Clc1ccc(OCCCC[N@H+]2CCCC[C@@H]2c2cccnc2)c(Cl)c1 ZINC000006719408 570547968 /nfs/dbraw/zinc/54/79/68/570547968.db2.gz CTLQOGDOXJLDLY-LJQANCHMSA-N 1 1 379.331 5.775 50 0 GKAAMO Clc1cccc(Cl)c1OCCCC[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000006719396 570548137 /nfs/dbraw/zinc/54/81/37/570548137.db2.gz MDGWRMQXFLWYIR-IBGZPJMESA-N 1 1 379.331 5.775 50 0 biogenic GKAAMO Clc1ccc(OCCCC[N@H+]2CCCC[C@H]2c2cccnc2)c2ccccc12 ZINC000006719418 570548184 /nfs/dbraw/zinc/54/81/84/570548184.db2.gz NWFJBZAKQAMEAA-QHCPKHFHSA-N 1 1 394.946 6.274 50 0 biogenic GKAAMO CC(C)=CC(O)(C=C(C)C)c1ccc(C[N@@H+](Cc2ccc(C)cc2)C(C)C)o1 ZINC000036202796 570568172 /nfs/dbraw/zinc/56/81/72/570568172.db2.gz FKJSDPNWXHBVED-UHFFFAOYSA-N 1 1 381.560 6.119 50 0 GKAAMO Cc1oc(-c2cccc(C)c2)nc1C[N@H+]1CCCC[C@@H]1CCc1ccccn1 ZINC000011662564 570577405 /nfs/dbraw/zinc/57/74/05/570577405.db2.gz YMIVNLFHTRDMSO-JOCHJYFZSA-N 1 1 375.516 5.341 50 0 GKAAMO CCCCCCOc1ccc(CN2CC[N@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)cc1 ZINC000039408737 570590948 /nfs/dbraw/zinc/59/09/48/570590948.db2.gz FGSAFUBNHSXEAM-FTJBHMTQSA-N 1 1 398.635 5.875 50 0 GKAAMO COc1ccccc1/C=C/C[N@H+]1CCC[C@@H](c2n[nH]cc2-c2ccc(F)cc2)C1 ZINC000011911678 570592417 /nfs/dbraw/zinc/59/24/17/570592417.db2.gz CXLZTINPHLPYFT-WWPOYFSUSA-N 1 1 391.490 5.117 50 0 GKAAMO c1ccc(Oc2cccc(CN3CC[N@H+]4CCC[C@@H]4[C@@H]3C3CCCCC3)c2)cc1 ZINC000039769805 570594014 /nfs/dbraw/zinc/59/40/14/570594014.db2.gz ICFIGWARIJACRJ-FTJBHMTQSA-N 1 1 390.571 5.708 50 0 GKAAMO Cc1ccc2c(Cl)c(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)sc2c1 ZINC000005451493 570599510 /nfs/dbraw/zinc/59/95/10/570599510.db2.gz XYAXOKMXXAVGOX-OAHLLOKOSA-N 1 1 388.920 5.023 50 0 GKAAMO Cc1ccsc1-c1nc(C[NH+]2CCC(Oc3ccccc3C)CC2)c(C)o1 ZINC000012092112 570607627 /nfs/dbraw/zinc/60/76/27/570607627.db2.gz WVVCDJPBBIILSR-UHFFFAOYSA-N 1 1 382.529 5.372 50 0 GKAAMO CCC(CC)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2-c2ccc(OC)cc2)C1 ZINC000012195719 570623290 /nfs/dbraw/zinc/62/32/90/570623290.db2.gz PIQBFBODJKOJST-LJQANCHMSA-N 1 1 380.532 5.201 50 0 GKAAMO COc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)cc1 ZINC000043083295 570625704 /nfs/dbraw/zinc/62/57/04/570625704.db2.gz FMSKBXOZPSNOHZ-GOSISDBHSA-N 1 1 381.907 5.118 50 0 GKAAMO Fc1ccccc1C[N@@H+]1CCCn2cccc2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000036347349 570628621 /nfs/dbraw/zinc/62/86/21/570628621.db2.gz LUQHPJLZVWSQIY-OAQYLSRUSA-N 1 1 388.408 5.641 50 0 GKAAMO Fc1ccccc1C[N@H+]1CCCn2cccc2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000036347349 570628626 /nfs/dbraw/zinc/62/86/26/570628626.db2.gz LUQHPJLZVWSQIY-OAQYLSRUSA-N 1 1 388.408 5.641 50 0 GKAAMO CCOc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000036348019 570630901 /nfs/dbraw/zinc/63/09/01/570630901.db2.gz NHVWSCYTHXKTHZ-SANMLTNESA-N 1 1 388.555 6.006 50 0 GKAAMO COc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2cc(C)ccc2C)c(OC)c1 ZINC000036348129 570630919 /nfs/dbraw/zinc/63/09/19/570630919.db2.gz CIKUZHALCDIHGG-RUZDIDTESA-N 1 1 390.527 5.117 50 0 GKAAMO COc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(C)cc2C)cc1OC ZINC000036348468 570631404 /nfs/dbraw/zinc/63/14/04/570631404.db2.gz SGVQCTVVIAOQPX-RUZDIDTESA-N 1 1 390.527 5.117 50 0 GKAAMO COc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3c3cccnc3)c(C)o2)cc1C ZINC000012297747 570634253 /nfs/dbraw/zinc/63/42/53/570634253.db2.gz QXWKQSLUKJXAQU-OAQYLSRUSA-N 1 1 377.488 5.089 50 0 GKAAMO COc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3c3cccnc3)c(C)o2)cc1C ZINC000012297747 570634258 /nfs/dbraw/zinc/63/42/58/570634258.db2.gz QXWKQSLUKJXAQU-OAQYLSRUSA-N 1 1 377.488 5.089 50 0 GKAAMO c1[nH]nc(-c2ccc(-c3ccccc3)cc2)c1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000012298615 570634951 /nfs/dbraw/zinc/63/49/51/570634951.db2.gz CIBGXFGQENQASQ-XMMPIXPASA-N 1 1 380.495 5.476 50 0 GKAAMO Cc1ccccc1C(c1ccccc1C)[N@@H+]1[C@@H]2CC[C@H]1C[C@](O)(c1ccccc1)C2 ZINC000169740434 570642658 /nfs/dbraw/zinc/64/26/58/570642658.db2.gz LOSJNRBXNQTUNT-FOURXJPJSA-N 1 1 397.562 5.907 50 0 GKAAMO Cc1ccc([NH+]=[P@](c2ccncc2)(N2CCCCCC2)C(C)(C)C)c(C)c1 ZINC000005570748 570657444 /nfs/dbraw/zinc/65/74/44/570657444.db2.gz JQNNKCCGBOXDJW-HHHXNRCGSA-N 1 1 383.520 6.446 50 0 GKAAMO C[C@@H]1[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 ZINC000229850707 570666805 /nfs/dbraw/zinc/66/68/05/570666805.db2.gz NTQGEZJOMVFLMK-DUPGQGGVSA-N 1 1 375.487 5.468 50 0 GKAAMO Fc1cccc(CN(Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000055132470 570684066 /nfs/dbraw/zinc/68/40/66/570684066.db2.gz IMANVXMNEMAXJQ-QHCPKHFHSA-N 1 1 395.566 5.268 50 0 GKAAMO COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2C/C=C/c2ccccc2)cc1 ZINC000015953517 570685119 /nfs/dbraw/zinc/68/51/19/570685119.db2.gz ZQETVXUYNZWBDD-BQNRCHOBSA-N 1 1 377.528 5.077 50 0 biogenic GKAAMO COc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CC[N@H+]1C/C=C/c1ccccc1 ZINC000015953822 570685349 /nfs/dbraw/zinc/68/53/49/570685349.db2.gz CSALCCKLWJOGTI-SDSRIUJSSA-N 1 1 377.528 5.077 50 0 biogenic GKAAMO COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2C/C=C/c2ccccc2)cc1 ZINC000015953515 570685370 /nfs/dbraw/zinc/68/53/70/570685370.db2.gz ZQETVXUYNZWBDD-YXEVQKQUSA-N 1 1 377.528 5.077 50 0 biogenic GKAAMO CC(C)(C)c1cc(C[NH+]2CCN(c3ccccc3F)CC2)cc(C(C)(C)C)c1O ZINC000055542844 570696303 /nfs/dbraw/zinc/69/63/03/570696303.db2.gz HJNPRHAFFABGEM-UHFFFAOYSA-N 1 1 398.566 5.449 50 0 GKAAMO CC(C)Oc1ccc(C[N@H+]2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)cc1 ZINC000012705157 570699867 /nfs/dbraw/zinc/69/98/67/570699867.db2.gz RACBDFLDLNZJBH-LJQANCHMSA-N 1 1 398.522 5.244 50 0 GKAAMO Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000058160728 570712759 /nfs/dbraw/zinc/71/27/59/570712759.db2.gz CGXTVBQOHLLUCI-CQSZACIVSA-N 1 1 379.331 5.715 50 0 GKAAMO CC(C)C[N@@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1ccc(F)c(F)c1 ZINC000004379267 570722932 /nfs/dbraw/zinc/72/29/32/570722932.db2.gz ZDHFFHQPEOAVCV-UHFFFAOYSA-N 1 1 386.461 5.612 50 0 GKAAMO COc1ccc([C@@H](Nc2cc(C)cc[nH+]2)c2c(C)[nH]c3ccccc32)cc1OC ZINC000000956927 570738365 /nfs/dbraw/zinc/73/83/65/570738365.db2.gz BHALWJOZQZIUHM-XMMPIXPASA-N 1 1 387.483 5.398 50 0 GKAAMO C[C@H]1CCC[N@H+]([C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)C1 ZINC000013039155 570743306 /nfs/dbraw/zinc/74/33/06/570743306.db2.gz XLHQGNYHSBLDPS-IFXJQAMLSA-N 1 1 377.315 5.405 50 0 GKAAMO CCNc1nc(Nc2ccc(NC(=O)Nc3ccccc3Cl)cc2)cc(C)[nH+]1 ZINC000064801234 570756423 /nfs/dbraw/zinc/75/64/23/570756423.db2.gz FRGNPGHPYBQDOJ-UHFFFAOYSA-N 1 1 396.882 5.258 50 0 GKAAMO CCNc1nc(Nc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)cc(C)[nH+]1 ZINC000064801231 570756493 /nfs/dbraw/zinc/75/64/93/570756493.db2.gz XRPLXBUAZKHNIW-UHFFFAOYSA-N 1 1 396.882 5.258 50 0 GKAAMO COc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CC[N@H+]1Cc1ccccc1Cl ZINC000013759361 570786112 /nfs/dbraw/zinc/78/61/12/570786112.db2.gz BUZOOTVRWDNERF-UEVCKROQSA-N 1 1 385.935 5.217 50 0 GKAAMO Cc1c(Cl)cccc1NC(=S)N1CCC([N@H+](C)[C@H]2CCCC[C@@H]2C)CC1 ZINC000004668258 570814354 /nfs/dbraw/zinc/81/43/54/570814354.db2.gz YTRKDPGXSAKKPS-YWZLYKJASA-N 1 1 394.028 5.320 50 0 GKAAMO COc1ccc(C)cc1NC(=O)[C@H]([NH2+][C@H](C)c1cccs1)c1ccccc1 ZINC000014140826 570825299 /nfs/dbraw/zinc/82/52/99/570825299.db2.gz VZUSLPCOKBKDGQ-IIBYNOLFSA-N 1 1 380.513 5.096 50 0 GKAAMO O=C(Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2)Nc1cccc(Cl)c1 ZINC000033140073 570826415 /nfs/dbraw/zinc/82/64/15/570826415.db2.gz YYXQYNUWUNYXIV-UHFFFAOYSA-N 1 1 377.875 5.500 50 0 GKAAMO O=C(Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2)Nc1cccc(Cl)c1 ZINC000033140073 570826417 /nfs/dbraw/zinc/82/64/17/570826417.db2.gz YYXQYNUWUNYXIV-UHFFFAOYSA-N 1 1 377.875 5.500 50 0 GKAAMO Cc1ccc(NC(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)c(Cl)c1 ZINC000033140083 570826439 /nfs/dbraw/zinc/82/64/39/570826439.db2.gz ASBNJHABIWCAGL-UHFFFAOYSA-N 1 1 391.902 5.808 50 0 GKAAMO Cc1ccc(NC(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)c(Cl)c1 ZINC000033140083 570826441 /nfs/dbraw/zinc/82/64/41/570826441.db2.gz ASBNJHABIWCAGL-UHFFFAOYSA-N 1 1 391.902 5.808 50 0 GKAAMO FC(F)(F)COc1cccc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000065575502 570835700 /nfs/dbraw/zinc/83/57/00/570835700.db2.gz SRWAXOOQTOOUNU-INIZCTEOSA-N 1 1 390.405 5.149 50 0 GKAAMO CCOc1ccccc1NC(=O)[C@@H]([NH2+]Cc1cccc(Cl)c1)c1ccccc1 ZINC000007387572 570835983 /nfs/dbraw/zinc/83/59/83/570835983.db2.gz JWAIQEKPGUMSOW-QFIPXVFZSA-N 1 1 394.902 5.208 50 0 GKAAMO CNc1cc[nH+]c(NCc2cc(Cl)cc3c(C)c(-c4ccccc4)[nH]c32)n1 ZINC000071721289 570844188 /nfs/dbraw/zinc/84/41/88/570844188.db2.gz GCSUPHTZIZAUDP-UHFFFAOYSA-N 1 1 377.879 5.241 50 0 GKAAMO CC(C)n1c2ccccc2nc1[C@@H](C)NC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000170591535 570849449 /nfs/dbraw/zinc/84/94/49/570849449.db2.gz NBAABOUCCWNHHT-GOSISDBHSA-N 1 1 394.538 5.072 50 0 GKAAMO CCOC(=O)[C@@H](C)C1=[NH+]c2ccccc2C(c2ccccc2)(c2ccccc2)N1C ZINC000004547800 570857575 /nfs/dbraw/zinc/85/75/75/570857575.db2.gz VJLMRVABDLGQGO-IBGZPJMESA-N 1 1 398.506 5.153 50 0 GKAAMO Cc1cc(C)n(-c2cccc(C[N@H+](C)Cc3nc(-c4ccsc4)oc3C)c2)n1 ZINC000015070694 570876786 /nfs/dbraw/zinc/87/67/86/570876786.db2.gz KDOXGEXIAATEHL-UHFFFAOYSA-N 1 1 392.528 5.146 50 0 GKAAMO Cc1cc(C)n(-c2cccc(C[N@@H+](C)Cc3nc(-c4ccsc4)oc3C)c2)n1 ZINC000015070694 570876789 /nfs/dbraw/zinc/87/67/89/570876789.db2.gz KDOXGEXIAATEHL-UHFFFAOYSA-N 1 1 392.528 5.146 50 0 GKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc4ccccc4c2)N3)C1 ZINC000004554096 570880609 /nfs/dbraw/zinc/88/06/09/570880609.db2.gz WRANDMQMQYKIMO-FQEVSTJZSA-N 1 1 377.513 5.097 50 0 GKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc4ccccc42)N3)C1 ZINC000004554058 570880627 /nfs/dbraw/zinc/88/06/27/570880627.db2.gz PBWSVEWLPPFWDO-HXUWFJFHSA-N 1 1 377.513 5.097 50 0 GKAAMO C[C@H](c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000103316443 570880765 /nfs/dbraw/zinc/88/07/65/570880765.db2.gz VZLMWVKMALNKHM-JFIYKMOQSA-N 1 1 393.556 5.225 50 0 GKAAMO C[C@H](c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000103316443 570880767 /nfs/dbraw/zinc/88/07/67/570880767.db2.gz VZLMWVKMALNKHM-JFIYKMOQSA-N 1 1 393.556 5.225 50 0 GKAAMO COc1ccc([C@@H](C)[N@H+](C)Cc2nc3ccccc3c(-c3ccccc3)n2)cc1 ZINC000096996617 570885235 /nfs/dbraw/zinc/88/52/35/570885235.db2.gz WNVBTZQVWHRSEQ-GOSISDBHSA-N 1 1 383.495 5.498 50 0 GKAAMO COc1ccc([C@@H](C)[N@@H+](C)Cc2nc3ccccc3c(-c3ccccc3)n2)cc1 ZINC000096996617 570885239 /nfs/dbraw/zinc/88/52/39/570885239.db2.gz WNVBTZQVWHRSEQ-GOSISDBHSA-N 1 1 383.495 5.498 50 0 GKAAMO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)c(Cl)c1 ZINC000013322875 570895193 /nfs/dbraw/zinc/89/51/93/570895193.db2.gz BIHMYZOHJOIFQV-UHFFFAOYSA-N 1 1 385.939 5.122 50 0 GKAAMO Cc1cc(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)c(C)n1C(C)C ZINC000032904223 570901855 /nfs/dbraw/zinc/90/18/55/570901855.db2.gz LLUWIXBNGGFCMW-UHFFFAOYSA-N 1 1 381.564 5.703 50 0 GKAAMO c1csc(-c2nnc(C[N@H+](Cc3cccc(-c4cccnc4)c3)C3CC3)o2)c1 ZINC000089780868 570913075 /nfs/dbraw/zinc/91/30/75/570913075.db2.gz KRLDETAVSGQRLE-UHFFFAOYSA-N 1 1 388.496 5.025 50 0 GKAAMO c1csc(-c2nnc(C[N@@H+](Cc3cccc(-c4cccnc4)c3)C3CC3)o2)c1 ZINC000089780868 570913076 /nfs/dbraw/zinc/91/30/76/570913076.db2.gz KRLDETAVSGQRLE-UHFFFAOYSA-N 1 1 388.496 5.025 50 0 GKAAMO COc1cc(OC)c(OC)cc1C[N@H+](Cc1cnc(C(C)C)s1)C(C)(C)C ZINC000097032618 570919852 /nfs/dbraw/zinc/91/98/52/570919852.db2.gz PIWGLEDJFJGWJT-UHFFFAOYSA-N 1 1 392.565 5.093 50 0 GKAAMO COc1cc(OC)c(OC)cc1C[N@@H+](Cc1cnc(C(C)C)s1)C(C)(C)C ZINC000097032618 570919854 /nfs/dbraw/zinc/91/98/54/570919854.db2.gz PIWGLEDJFJGWJT-UHFFFAOYSA-N 1 1 392.565 5.093 50 0 GKAAMO CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CC[N@H+]1C/C=C/c1ccccc1 ZINC000004061918 570927598 /nfs/dbraw/zinc/92/75/98/570927598.db2.gz YHYQZSVKBBWONV-LQDGZISQSA-N 1 1 391.555 5.467 50 0 biogenic GKAAMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(CSCc2ccccc2)o1 ZINC000004062104 570927745 /nfs/dbraw/zinc/92/77/45/570927745.db2.gz HVPYTIIXNLQEJA-PZJWPPBQSA-N 1 1 399.556 5.134 50 0 biogenic GKAAMO Brc1cc(C[NH+]2CCCCC2)c2c(c1)CO[C@H](c1ccccc1)O2 ZINC000016699000 570931345 /nfs/dbraw/zinc/93/13/45/570931345.db2.gz KWKGDURPGKBQNU-FQEVSTJZSA-N 1 1 388.305 5.043 50 0 GKAAMO C[N@@H+]1C/C(=C/c2ccccc2)C2=NN(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C1 ZINC000105972886 570934108 /nfs/dbraw/zinc/93/41/08/570934108.db2.gz GTJXVFHOQFLCHN-SGPUPTDZSA-N 1 1 379.507 5.249 50 0 GKAAMO COc1ccc([C@@H]2CCCCC[N@@H+]2[C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 ZINC000252445421 570957611 /nfs/dbraw/zinc/95/76/11/570957611.db2.gz UMZYZWLHLXYLRD-UTKZUKDTSA-N 1 1 396.531 5.031 50 0 GKAAMO COc1ccc([C@@H]2CCCCC[N@H+]2[C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 ZINC000252445421 570957614 /nfs/dbraw/zinc/95/76/14/570957614.db2.gz UMZYZWLHLXYLRD-UTKZUKDTSA-N 1 1 396.531 5.031 50 0 GKAAMO CSc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4s3)C2)cc1 ZINC000019335236 570976150 /nfs/dbraw/zinc/97/61/50/570976150.db2.gz SDFJEQMIPPRAQC-MRXNPFEDSA-N 1 1 382.554 5.113 50 0 GKAAMO CSc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4s3)C2)cc1 ZINC000019335236 570976153 /nfs/dbraw/zinc/97/61/53/570976153.db2.gz SDFJEQMIPPRAQC-MRXNPFEDSA-N 1 1 382.554 5.113 50 0 GKAAMO CC[NH+](CC)[C@@H](C(=O)Nc1cccc(F)c1F)c1cccc(C(F)(F)F)c1 ZINC000072284653 570996180 /nfs/dbraw/zinc/99/61/80/570996180.db2.gz DFNOXAKSRNJMDI-QGZVFWFLSA-N 1 1 386.364 5.005 50 0 GKAAMO CC(C)[C@@H]([NH2+]Cc1c(Cl)n(C)nc1-c1ccccc1)c1nc2ccccc2[nH]1 ZINC000084456253 571018514 /nfs/dbraw/zinc/01/85/14/571018514.db2.gz CDXYVIHZRCVNJP-LJQANCHMSA-N 1 1 393.922 5.104 50 0 GKAAMO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000012768886 571021327 /nfs/dbraw/zinc/02/13/27/571021327.db2.gz WEDGXQRRMACCRG-CYBMUJFWSA-N 1 1 384.829 5.126 50 0 GKAAMO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000012768886 571021329 /nfs/dbraw/zinc/02/13/29/571021329.db2.gz WEDGXQRRMACCRG-CYBMUJFWSA-N 1 1 384.829 5.126 50 0 GKAAMO Fc1cccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)c1F ZINC000019635614 571022298 /nfs/dbraw/zinc/02/22/98/571022298.db2.gz IJCIJYGWMXGSKW-AWEZNQCLSA-N 1 1 389.396 5.013 50 0 GKAAMO CCCCCCOc1ccc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000019634734 571022330 /nfs/dbraw/zinc/02/23/30/571022330.db2.gz VYUZKYLCNGERGY-FMIVXFBMSA-N 1 1 392.587 5.477 50 0 GKAAMO CCCCCCOc1ccc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000019634734 571022331 /nfs/dbraw/zinc/02/23/31/571022331.db2.gz VYUZKYLCNGERGY-FMIVXFBMSA-N 1 1 392.587 5.477 50 0 GKAAMO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000012774712 571027918 /nfs/dbraw/zinc/02/79/18/571027918.db2.gz GZWXEWYGSUIVIR-LJQANCHMSA-N 1 1 398.506 5.176 50 0 GKAAMO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000012774712 571027922 /nfs/dbraw/zinc/02/79/22/571027922.db2.gz GZWXEWYGSUIVIR-LJQANCHMSA-N 1 1 398.506 5.176 50 0 GKAAMO C[C@@H]1C[N@H+](CCCCOc2ccc(C(C)(C)c3ccccc3)cc2)C[C@H](C)O1 ZINC000016247238 571046080 /nfs/dbraw/zinc/04/60/80/571046080.db2.gz CCOLCOPPEFRFIM-OYRHEFFESA-N 1 1 381.560 5.281 50 0 GKAAMO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]Cc1ccc(Cl)cc1Cl ZINC000017310647 210209835 /nfs/dbraw/zinc/20/98/35/210209835.db2.gz MGSWWMSHJBRAOT-UHFFFAOYSA-N 1 1 388.342 5.453 50 0 GKAAMO CCc1c(C)sc2c1CC[N@@H+](Cc1ccc(Cl)cc1)[C@@H]2c1ccccc1 ZINC000015864891 210176517 /nfs/dbraw/zinc/17/65/17/210176517.db2.gz CDESZZGHFNFNOX-JOCHJYFZSA-N 1 1 381.972 6.420 50 0 GKAAMO Cc1ccc([C@H](CNC(=O)c2oc3cc(C)cc(C)c3c2C)[NH+]2CCCCC2)o1 ZINC000015860420 210175052 /nfs/dbraw/zinc/17/50/52/210175052.db2.gz YRBZDJCRAVPZCO-IBGZPJMESA-N 1 1 394.515 5.216 50 0 GKAAMO CCOc1ccccc1-c1nc(C[N@H+]2CCC[C@H](c3ccccc3)C2)c(C)o1 ZINC000015073903 210151180 /nfs/dbraw/zinc/15/11/80/210151180.db2.gz ZQNKPBCNBNRWRT-FQEVSTJZSA-N 1 1 376.500 5.428 50 0 GKAAMO COc1ccc(C[N@@H+]2CCOc3c(O)cc(-c4cccs4)cc3C2)c(C)c1C ZINC000015071430 210147975 /nfs/dbraw/zinc/14/79/75/210147975.db2.gz XDHHURWIDBBCHM-UHFFFAOYSA-N 1 1 395.524 5.141 50 0 GKAAMO COc1ccc(C[N@H+]2CCOc3c(O)cc(-c4cccs4)cc3C2)c(C)c1C ZINC000015071430 210147978 /nfs/dbraw/zinc/14/79/78/210147978.db2.gz XDHHURWIDBBCHM-UHFFFAOYSA-N 1 1 395.524 5.141 50 0 GKAAMO Fc1ccccc1CN(Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000015067399 210147306 /nfs/dbraw/zinc/14/73/06/210147306.db2.gz ZFJJZZJUVRJRFD-JOCHJYFZSA-N 1 1 395.566 5.268 50 0 GKAAMO C/C(=C\c1ccccc1)C[N@@H+]1CCOc2c(O)cc(-c3cccs3)cc2C1 ZINC000014989487 210141439 /nfs/dbraw/zinc/14/14/39/210141439.db2.gz BQQRWJGPXPZMPR-SFQUDFHCSA-N 1 1 377.509 5.419 50 0 GKAAMO C/C(=C\c1ccccc1)C[N@H+]1CCOc2c(O)cc(-c3cccs3)cc2C1 ZINC000014989487 210141442 /nfs/dbraw/zinc/14/14/42/210141442.db2.gz BQQRWJGPXPZMPR-SFQUDFHCSA-N 1 1 377.509 5.419 50 0 GKAAMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)Cc2ccccc2)cc1Cl ZINC000013038832 210048344 /nfs/dbraw/zinc/04/83/44/210048344.db2.gz KLDKEBZJKAIPGM-QFIPXVFZSA-N 1 1 378.903 5.460 50 0 GKAAMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)Cc2ccccc2)cc1Cl ZINC000013038832 210048347 /nfs/dbraw/zinc/04/83/47/210048347.db2.gz KLDKEBZJKAIPGM-QFIPXVFZSA-N 1 1 378.903 5.460 50 0 GKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2C[C@H](C)C[C@@H](C)C2)c1 ZINC000002714945 209377924 /nfs/dbraw/zinc/37/79/24/209377924.db2.gz KCDNSSDFCKCKAT-WOJBJXKFSA-N 1 1 396.538 5.878 50 0 GKAAMO Cc1cc(C)c(NC(=O)[C@@H]2CCCC[N@H+]2C2C3CC4CC(C3)CC2C4)c(C)c1 ZINC000001227815 212230840 /nfs/dbraw/zinc/23/08/40/212230840.db2.gz DAZNHXYKNYGEKB-OAQUMOLUSA-N 1 1 380.576 5.230 50 0 GKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2cccnc2)cc1 ZINC000001110286 212217385 /nfs/dbraw/zinc/21/73/85/212217385.db2.gz SDPWVUARKSHHGK-UHFFFAOYSA-N 1 1 391.478 5.403 50 0 GKAAMO CCC[NH+](CCC)CN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O ZINC000003037447 212062869 /nfs/dbraw/zinc/06/28/69/212062869.db2.gz DZDUJFSXMWWKDA-DHDCSXOGSA-N 1 1 387.332 5.109 50 0 GKAAMO C[C@@H]1[C@H]2CC[C@@H](C)C[N@H+]2[C@@H]2C[C@@H]3[C@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]21 ZINC000257348297 212029974 /nfs/dbraw/zinc/02/99/74/212029974.db2.gz DCQBOIHKCBTVFH-STMGFCRYSA-N 1 1 397.647 5.943 50 0 GKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccccn2)cc1 ZINC000001447576 203910492 /nfs/dbraw/zinc/91/04/92/203910492.db2.gz SYXPOCRZYWHSQC-UHFFFAOYSA-N 1 1 391.478 5.403 50 0 GKAAMO Cc1ccc(-c2[nH+]c3ccc(Br)cn3c2NC2CCCCC2)cc1 ZINC000004155363 204030848 /nfs/dbraw/zinc/03/08/48/204030848.db2.gz RRWGCDIQKRLZAL-UHFFFAOYSA-N 1 1 384.321 5.817 50 0 GKAAMO CCCCOc1cc(Br)c(C[NH2+]Cc2ccccc2)cc1OCC ZINC000004820718 204079746 /nfs/dbraw/zinc/07/97/46/204079746.db2.gz FXSZVWKTGYWMIH-UHFFFAOYSA-N 1 1 392.337 5.317 50 0 GKAAMO Cc1cccc(Cn2cccc2C[N@@H+](Cc2ccc(F)cc2)[C@@H](C)C(C)C)c1 ZINC000004907889 204090063 /nfs/dbraw/zinc/09/00/63/204090063.db2.gz GTVALLXDVNUQPM-NRFANRHFSA-N 1 1 378.535 6.031 50 0 GKAAMO CCCCN(C)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1 ZINC000004658121 204060803 /nfs/dbraw/zinc/06/08/03/204060803.db2.gz NUYNRPYIRAYXCQ-UHFFFAOYSA-N 1 1 386.499 5.332 50 0 GKAAMO CSc1cccc(NC(=S)NCC[N@@H+](C2CCCC2)C2CCCCC2)c1 ZINC000004669810 204061642 /nfs/dbraw/zinc/06/16/42/204061642.db2.gz ATQKYZYSVWGLSV-UHFFFAOYSA-N 1 1 391.650 5.272 50 0 GKAAMO Cc1ccc(NC(=S)N2CCC([N@H+](C)[C@@H]3CCCC[C@@H]3C)CC2)cc1Cl ZINC000004668274 204062430 /nfs/dbraw/zinc/06/24/30/204062430.db2.gz QNLYQLCEEGGSRT-OXJNMPFZSA-N 1 1 394.028 5.320 50 0 GKAAMO Cc1ccccc1-c1noc(C[NH+]2CCC(c3nc4ccccc4s3)CC2)n1 ZINC000009451060 204310867 /nfs/dbraw/zinc/31/08/67/204310867.db2.gz XKDKCLXSHSEEJU-UHFFFAOYSA-N 1 1 390.512 5.034 50 0 GKAAMO CCOc1ccccc1-c1nc(C[N@H+](C)Cc2cccc3cnccc32)c(C)o1 ZINC000011661433 204347708 /nfs/dbraw/zinc/34/77/08/204347708.db2.gz IZLLSNIRGPVFHO-UHFFFAOYSA-N 1 1 387.483 5.229 50 0 GKAAMO CCOc1ccccc1-c1nc(C[N@@H+](C)Cc2cccc3cnccc32)c(C)o1 ZINC000011661433 204347712 /nfs/dbraw/zinc/34/77/12/204347712.db2.gz IZLLSNIRGPVFHO-UHFFFAOYSA-N 1 1 387.483 5.229 50 0 GKAAMO Oc1cc(-c2nc3ccccc3s2)cc2c1OCC[N@H+](C1CCCCC1)C2 ZINC000012218725 204384556 /nfs/dbraw/zinc/38/45/56/204384556.db2.gz RVSYMQKELYDSAZ-UHFFFAOYSA-N 1 1 380.513 5.196 50 0 GKAAMO CC(C)c1csc(C[NH2+][C@@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)n1 ZINC000012314224 204396427 /nfs/dbraw/zinc/39/64/27/204396427.db2.gz FCMUMQWFRIPPAN-GOSISDBHSA-N 1 1 398.551 5.395 50 0 GKAAMO Cc1ccc(-c2nc(C[NH+]3CCC(Sc4ccc(F)cc4)CC3)c(C)o2)o1 ZINC000012705861 204436439 /nfs/dbraw/zinc/43/64/39/204436439.db2.gz ARWGXEKHEQBCAH-UHFFFAOYSA-N 1 1 386.492 5.447 50 0 GKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000018083867 204615447 /nfs/dbraw/zinc/61/54/47/204615447.db2.gz CPOBJOIMBCWLQI-BGYRXZFFSA-N 1 1 396.538 5.878 50 0 GKAAMO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)CCC3CCCC3)CC2)cc1 ZINC000022623063 204783951 /nfs/dbraw/zinc/78/39/51/204783951.db2.gz AINVPPAROHMDOP-AREMUKBSSA-N 1 1 390.571 5.199 50 0 GKAAMO COc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cccc(Cl)c2)cc1OC ZINC000036347670 205012021 /nfs/dbraw/zinc/01/20/21/205012021.db2.gz CSEQMMZCAUKIKB-HSZRJFAPSA-N 1 1 396.918 5.154 50 0 GKAAMO COc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cccc(Cl)c2)cc1OC ZINC000036347670 205012025 /nfs/dbraw/zinc/01/20/25/205012025.db2.gz CSEQMMZCAUKIKB-HSZRJFAPSA-N 1 1 396.918 5.154 50 0 GKAAMO CCOc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)cc1 ZINC000042628394 205080906 /nfs/dbraw/zinc/08/09/06/205080906.db2.gz HLCLZUHHNFVHNT-KRWDZBQOSA-N 1 1 397.469 5.133 50 0 GKAAMO Clc1ccc(-c2csc(N3CC[NH+](C/C=C/c4ccccc4)CC3)n2)cc1 ZINC000055227880 205145324 /nfs/dbraw/zinc/14/53/24/205145324.db2.gz CAJMSUXQFZOTNW-QPJJXVBHSA-N 1 1 395.959 5.299 50 0 GKAAMO COc1cc(-c2ccc(C)cc2)cc2c1OCC[N@@H+](Cc1ccc(C)s1)C2 ZINC000055342476 205147895 /nfs/dbraw/zinc/14/78/95/205147895.db2.gz CZWZDOVHTMOQIB-UHFFFAOYSA-N 1 1 379.525 5.435 50 0 GKAAMO CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@@H+](Cc3cccc4cnccc43)C2)c1 ZINC000014956999 205180884 /nfs/dbraw/zinc/18/08/84/205180884.db2.gz HDIOFAAHJBTHLE-QFIPXVFZSA-N 1 1 388.511 5.117 50 0 GKAAMO Cc1ccccc1C(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCC1)n2C(C)C ZINC000065322265 205230467 /nfs/dbraw/zinc/23/04/67/205230467.db2.gz KKWMVKPBSKRXMQ-UHFFFAOYSA-N 1 1 390.531 5.164 50 0 GKAAMO Cc1cc(C[N@@H+]2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)ccc1O ZINC000067674415 205254330 /nfs/dbraw/zinc/25/43/30/205254330.db2.gz XHMUCJZSAMAKEP-UHFFFAOYSA-N 1 1 395.886 5.121 50 0 GKAAMO Cc1cc(C[N@H+]2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)ccc1O ZINC000067674415 205254335 /nfs/dbraw/zinc/25/43/35/205254335.db2.gz XHMUCJZSAMAKEP-UHFFFAOYSA-N 1 1 395.886 5.121 50 0 GKAAMO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H](c4nc5ccccc5o4)C3)c(C)o2)s1 ZINC000067855776 205263615 /nfs/dbraw/zinc/26/36/15/205263615.db2.gz PKODVQFPDXXFOH-INIZCTEOSA-N 1 1 393.512 5.541 50 0 GKAAMO C[N@@H+](Cc1ccccc1NC(=O)c1cc(-c2ccccc2)on1)C1CCCCC1 ZINC000032900676 206095421 /nfs/dbraw/zinc/09/54/21/206095421.db2.gz YWPSDWGDUKQTOK-UHFFFAOYSA-N 1 1 389.499 5.358 50 0 GKAAMO Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)nc(-c2ccc(Cl)cc2)n1 ZINC000252492568 206139842 /nfs/dbraw/zinc/13/98/42/206139842.db2.gz MPHYCIIMNNJIBX-VSKRKVRLSA-N 1 1 399.966 5.011 50 0 GKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCCCCC2)cc1 ZINC000001447654 206382279 /nfs/dbraw/zinc/38/22/79/206382279.db2.gz QWCZDUOHYYKMGW-UHFFFAOYSA-N 1 1 398.510 5.477 50 0 GKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2cccs2)c1 ZINC000001447566 206382319 /nfs/dbraw/zinc/38/23/19/206382319.db2.gz GVCUYCDHRWBKOV-UHFFFAOYSA-N 1 1 396.519 6.070 50 0 GKAAMO Cc1sc2nc([C@@H](C)[N@H+](C)Cc3ccc4ccccc4c3)nc(N)c2c1C ZINC000096438000 211341323 /nfs/dbraw/zinc/34/13/23/211341323.db2.gz VWQZWTOMPYEKIS-CQSZACIVSA-N 1 1 376.529 5.237 50 0 GKAAMO Cc1sc2nc([C@@H](C)[N@@H+](C)Cc3ccc4ccccc4c3)nc(N)c2c1C ZINC000096438000 211341326 /nfs/dbraw/zinc/34/13/26/211341326.db2.gz VWQZWTOMPYEKIS-CQSZACIVSA-N 1 1 376.529 5.237 50 0 GKAAMO CC(=O)Nc1ccc(C[N@@H+]2CCc3c4ccccc4[nH]c3[C@H]2C(C)(C)C)cc1 ZINC000015074226 211127457 /nfs/dbraw/zinc/12/74/57/211127457.db2.gz ZXRXZGRSZBBFGN-QHCPKHFHSA-N 1 1 375.516 5.272 50 0 GKAAMO CC(=O)Nc1ccc(C[N@H+]2CCc3c4ccccc4[nH]c3[C@H]2C(C)(C)C)cc1 ZINC000015074226 211127462 /nfs/dbraw/zinc/12/74/62/211127462.db2.gz ZXRXZGRSZBBFGN-QHCPKHFHSA-N 1 1 375.516 5.272 50 0 GKAAMO CCNc1nc(Nc2ccc(NC(=O)Nc3ccc(CC)cc3)cc2)cc(C)[nH+]1 ZINC000072437509 211120170 /nfs/dbraw/zinc/12/01/70/211120170.db2.gz SWHOVIBGYNLYCP-UHFFFAOYSA-N 1 1 390.491 5.167 50 0 GKAAMO COc1ccccc1-c1nc2cc(Cl)ccc2cc1C[N@H+](C)Cc1ccno1 ZINC000072418017 211115284 /nfs/dbraw/zinc/11/52/84/211115284.db2.gz LHOPNEMSHODTGZ-UHFFFAOYSA-N 1 1 393.874 5.184 50 0 GKAAMO COc1ccccc1-c1nc2cc(Cl)ccc2cc1C[N@@H+](C)Cc1ccno1 ZINC000072418017 211115288 /nfs/dbraw/zinc/11/52/88/211115288.db2.gz LHOPNEMSHODTGZ-UHFFFAOYSA-N 1 1 393.874 5.184 50 0 GKAAMO COc1cccc(C[N@@H+]2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)c1 ZINC000067894732 211028383 /nfs/dbraw/zinc/02/83/83/211028383.db2.gz DLTHZENQQJCRJL-UHFFFAOYSA-N 1 1 395.886 5.116 50 0 GKAAMO COc1cccc(C[N@H+]2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)c1 ZINC000067894732 211028385 /nfs/dbraw/zinc/02/83/85/211028385.db2.gz DLTHZENQQJCRJL-UHFFFAOYSA-N 1 1 395.886 5.116 50 0 GKAAMO O=C(CC[C@H]1CCC[N@H+](C23CC4CC(CC(C4)C2)C3)C1)Nc1ccccc1F ZINC000011873285 206839257 /nfs/dbraw/zinc/83/92/57/206839257.db2.gz OOMISKHSUBTYFP-OQOKOFKUSA-N 1 1 384.539 5.225 50 0 GKAAMO Cc1oc(-c2ccccc2Cl)nc1C[N@@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000015065033 207042372 /nfs/dbraw/zinc/04/23/72/207042372.db2.gz QAYGGNHIDCMNLJ-UHFFFAOYSA-N 1 1 392.890 5.121 50 0 GKAAMO Cc1oc(-c2ccccc2Cl)nc1C[N@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000015065033 207042376 /nfs/dbraw/zinc/04/23/76/207042376.db2.gz QAYGGNHIDCMNLJ-UHFFFAOYSA-N 1 1 392.890 5.121 50 0 GKAAMO Cc1cc(C)c(NC(=O)C[NH2+][C@@H](c2cccs2)c2ccc(F)cc2)c(C)c1 ZINC000015358588 207049941 /nfs/dbraw/zinc/04/99/41/207049941.db2.gz PCJYKKOPJUIEKQ-JOCHJYFZSA-N 1 1 382.504 5.130 50 0 GKAAMO CCc1c(C)sc2c1CC[N@@H+](Cc1cc(C)ccc1C)[C@H]2c1ccccc1 ZINC000015864872 207064462 /nfs/dbraw/zinc/06/44/62/207064462.db2.gz HYKLQUMMCYRVRI-DEOSSOPVSA-N 1 1 375.581 6.383 50 0 GKAAMO C[C@H]1CCCC[N@H+]1CCNc1nc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000015781640 207061405 /nfs/dbraw/zinc/06/14/05/207061405.db2.gz WPPUYRNNTGLCFX-INIZCTEOSA-N 1 1 380.923 5.237 50 0 GKAAMO Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)[C@@H]2c2ccccc2C)cc1 ZINC000019326678 207114468 /nfs/dbraw/zinc/11/44/68/207114468.db2.gz WGJSTCQMJZINJG-AREMUKBSSA-N 1 1 388.530 5.849 50 0 GKAAMO Cc1ccc(C[N@H+]2CCCN(Cc3ccc(F)cc3)[C@@H]2c2ccccc2C)cc1 ZINC000019326678 207114469 /nfs/dbraw/zinc/11/44/69/207114469.db2.gz WGJSTCQMJZINJG-AREMUKBSSA-N 1 1 388.530 5.849 50 0 GKAAMO Fc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)c(F)c1 ZINC000020166520 207181859 /nfs/dbraw/zinc/18/18/59/207181859.db2.gz FXHQJZNHNXASDA-AWEZNQCLSA-N 1 1 389.396 5.013 50 0 GKAAMO Fc1ccc([C@@H]([NH2+]C2CCCCC2)c2nnc(-c3ccccc3Cl)o2)cc1 ZINC000020178289 207182662 /nfs/dbraw/zinc/18/26/62/207182662.db2.gz HSRPOAYNYYFMIW-LJQANCHMSA-N 1 1 385.870 5.541 50 0 GKAAMO Cc1nc(N2CCCCC2)cc(Nc2ccc(NC(=O)C3CCCCC3)cc2)[nH+]1 ZINC000021794271 207237456 /nfs/dbraw/zinc/23/74/56/207237456.db2.gz RZGAWZVKFOMYTD-UHFFFAOYSA-N 1 1 393.535 5.038 50 0 GKAAMO Cc1nc(Nc2ccc(NC(=O)C3CCCCC3)cc2)cc(N2CCCCC2)[nH+]1 ZINC000021794271 207237460 /nfs/dbraw/zinc/23/74/60/207237460.db2.gz RZGAWZVKFOMYTD-UHFFFAOYSA-N 1 1 393.535 5.038 50 0 GKAAMO CCC[N@@H+](CCc1c[nH]c2ccc(NC(=O)CCC3CCCC3)cc12)CC1CC1 ZINC000022345918 207252200 /nfs/dbraw/zinc/25/22/00/207252200.db2.gz UPQOUKNKWAIRFF-UHFFFAOYSA-N 1 1 395.591 5.741 50 0 GKAAMO C[N@@H+](Cc1ccc(-c2nc(C(F)F)cc(=O)[nH]2)cc1)[C@@H]1CCCc2ccccc21 ZINC000023129408 207270743 /nfs/dbraw/zinc/27/07/43/207270743.db2.gz UHCPHOMBDIEYGJ-HXUWFJFHSA-N 1 1 395.453 5.296 50 0 GKAAMO Clc1ccc([C@@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)c2ccccc2)cc1 ZINC000024773586 207295295 /nfs/dbraw/zinc/29/52/95/207295295.db2.gz VFDAKFWQHBQDKD-DEOSSOPVSA-N 1 1 387.914 5.464 50 0 GKAAMO CCC[N@@H+](Cc1ccccc1)Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000025789271 207306221 /nfs/dbraw/zinc/30/62/21/207306221.db2.gz SMVUZIVYSGLRIH-UHFFFAOYSA-N 1 1 389.524 5.064 50 0 GKAAMO CCC[N@H+](Cc1ccccc1)Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000025789271 207306224 /nfs/dbraw/zinc/30/62/24/207306224.db2.gz SMVUZIVYSGLRIH-UHFFFAOYSA-N 1 1 389.524 5.064 50 0 GKAAMO Brc1ccccc1-c1nnc(C[N@@H+](CC2CC2)C2CCCCC2)o1 ZINC000084514877 208090491 /nfs/dbraw/zinc/09/04/91/208090491.db2.gz FCBGLIWZZQMURS-UHFFFAOYSA-N 1 1 390.325 5.044 50 0 GKAAMO C[C@H]([NH2+]Cc1sc2ccccc2c1Cl)c1nc(-c2cccnc2)cs1 ZINC000095941308 208239534 /nfs/dbraw/zinc/23/95/34/208239534.db2.gz NVHSFGUQEKLGKW-LBPRGKRZSA-N 1 1 385.945 5.924 50 0 GKAAMO Cc1ccsc1-c1nc(C[NH+]2CCC([C@@H](O)c3cccs3)CC2)c(C)o1 ZINC000020999743 210374011 /nfs/dbraw/zinc/37/40/11/210374011.db2.gz BXRPLUXDVZXXKF-GOSISDBHSA-N 1 1 388.558 5.027 50 0 GKAAMO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)c(C)o2)o1 ZINC000020322975 210327072 /nfs/dbraw/zinc/32/70/72/210327072.db2.gz SIJGEGZKNPAUNG-MRXNPFEDSA-N 1 1 377.444 5.072 50 0 GKAAMO C[C@@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000007917235 221016205 /nfs/dbraw/zinc/01/62/05/221016205.db2.gz NFSGSRMQECNRQE-ZDUSSCGKSA-N 1 1 396.541 5.348 50 0 GKAAMO c1ccc(Oc2cccc(OCCC[N@H+]3CCCC[C@@H]3c3cccnc3)c2)cc1 ZINC000008792599 221060304 /nfs/dbraw/zinc/06/03/04/221060304.db2.gz HTAFICSOXNYDIV-RUZDIDTESA-N 1 1 388.511 5.870 50 0 biogenic GKAAMO CCOc1ccccc1NC(=O)[C@@H]([NH2+]Cc1ccc(Cl)cc1)c1ccccc1 ZINC000009112256 221070373 /nfs/dbraw/zinc/07/03/73/221070373.db2.gz KRMZHKCCLDHMQS-QFIPXVFZSA-N 1 1 394.902 5.208 50 0 GKAAMO Cc1c([C@H](C)[NH2+]Cc2c(F)cccc2Cl)cnn1-c1ccc(F)cc1F ZINC000011839756 221131051 /nfs/dbraw/zinc/13/10/51/221131051.db2.gz YPTSTCMTQAOLNX-NSHDSACASA-N 1 1 379.813 5.102 50 0 GKAAMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@H](C(=O)c2ccc(Cl)cc2C)C1 ZINC000011934264 221138140 /nfs/dbraw/zinc/13/81/40/221138140.db2.gz NBGOVIVPRQQPBO-SFHVURJKSA-N 1 1 387.955 5.138 50 0 GKAAMO CSc1ccc(C[N@H+]2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)cc1 ZINC000012112177 221150898 /nfs/dbraw/zinc/15/08/98/221150898.db2.gz HHTPTPCWCRDADW-QGZVFWFLSA-N 1 1 386.536 5.179 50 0 GKAAMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@@H](C(=O)c2cccc3ccccc32)C1 ZINC000012299251 221176010 /nfs/dbraw/zinc/17/60/10/221176010.db2.gz QHQJFZBAAPVSJX-OAQYLSRUSA-N 1 1 389.543 5.329 50 0 GKAAMO c1csc(C[N@H+]2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)c1 ZINC000012185737 221164007 /nfs/dbraw/zinc/16/40/07/221164007.db2.gz PZGGVQZFKNEXNR-GOSISDBHSA-N 1 1 382.485 5.249 50 0 GKAAMO CC(C)c1csc(C[N@@H+]2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)n1 ZINC000012195581 221165397 /nfs/dbraw/zinc/16/53/97/221165397.db2.gz IILNVTLCZBSFEO-MRXNPFEDSA-N 1 1 389.540 5.037 50 0 GKAAMO CC(C)c1csc(C[N@H+]2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)n1 ZINC000012195581 221165398 /nfs/dbraw/zinc/16/53/98/221165398.db2.gz IILNVTLCZBSFEO-MRXNPFEDSA-N 1 1 389.540 5.037 50 0 GKAAMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000012469763 221199256 /nfs/dbraw/zinc/19/92/56/221199256.db2.gz ZNCJBTHXFAJLBG-LBPRGKRZSA-N 1 1 380.435 5.923 50 0 GKAAMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@H+](C)[C@@H](C)c1cccs1 ZINC000012469763 221199259 /nfs/dbraw/zinc/19/92/59/221199259.db2.gz ZNCJBTHXFAJLBG-LBPRGKRZSA-N 1 1 380.435 5.923 50 0 GKAAMO Cc1oc(-c2ccccc2Cl)nc1CN(C)CC1CC[NH+](CC(C)C)CC1 ZINC000012385936 221187698 /nfs/dbraw/zinc/18/76/98/221187698.db2.gz JUKNGSYEIRZBAY-UHFFFAOYSA-N 1 1 389.971 5.103 50 0 GKAAMO CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3ccccc3OC)c(C)o2)cc1 ZINC000012712126 221221634 /nfs/dbraw/zinc/22/16/34/221221634.db2.gz REOIKWHIZHINMZ-JOCHJYFZSA-N 1 1 392.499 5.394 50 0 GKAAMO CCOc1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3ccccc3OC)c(C)o2)cc1 ZINC000012712126 221221637 /nfs/dbraw/zinc/22/16/37/221221637.db2.gz REOIKWHIZHINMZ-JOCHJYFZSA-N 1 1 392.499 5.394 50 0 GKAAMO CCOc1ccc(C[N@H+]2CCC[C@H](CCC(=O)Nc3ccc(F)cc3C)C2)cc1 ZINC000012586853 221211747 /nfs/dbraw/zinc/21/17/47/221211747.db2.gz KISUAUUVANHVEN-LJQANCHMSA-N 1 1 398.522 5.164 50 0 GKAAMO c1csc([C@H]([NH2+]Cc2nc3ccccc3s2)c2ccc3c(c2)CCC3)c1 ZINC000012936810 221248142 /nfs/dbraw/zinc/24/81/42/221248142.db2.gz QOXYQXAWTHUAPQ-JOCHJYFZSA-N 1 1 376.550 5.726 50 0 GKAAMO COc1cc(-c2cccnc2)cc2c1OCC[N@@H+](C/C(C)=C/c1ccccc1)C2 ZINC000014880172 221317037 /nfs/dbraw/zinc/31/70/37/221317037.db2.gz CDADRYALVDPDQZ-CPNJWEJPSA-N 1 1 386.495 5.055 50 0 GKAAMO Cc1ncc(-c2ccc(F)cc2)c([C@H]2CCC[N@@H+](Cc3ccccc3F)C2)n1 ZINC000014882700 221317730 /nfs/dbraw/zinc/31/77/30/221317730.db2.gz AJQUHCRQQZGNIS-IBGZPJMESA-N 1 1 379.454 5.110 50 0 GKAAMO CC(=O)Nc1ccc(C[N@@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C(C)(C)C)cc1 ZINC000015074225 221332065 /nfs/dbraw/zinc/33/20/65/221332065.db2.gz ZXRXZGRSZBBFGN-HSZRJFAPSA-N 1 1 375.516 5.272 50 0 GKAAMO CC(=O)Nc1ccc(C[N@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C(C)(C)C)cc1 ZINC000015074225 221332068 /nfs/dbraw/zinc/33/20/68/221332068.db2.gz ZXRXZGRSZBBFGN-HSZRJFAPSA-N 1 1 375.516 5.272 50 0 GKAAMO Cc1ccc([C@H](CNC(=O)c2sc3cc(Cl)ccc3c2Cl)[NH+](C)C)o1 ZINC000015860351 221349118 /nfs/dbraw/zinc/34/91/18/221349118.db2.gz VSDSCZMICRMFEN-ZDUSSCGKSA-N 1 1 397.327 5.142 50 0 GKAAMO Cc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)c3c(C)ccc(C)c3[nH]2)cc1 ZINC000015862320 221349792 /nfs/dbraw/zinc/34/97/92/221349792.db2.gz RPTRNNBUCZVKMA-UHFFFAOYSA-N 1 1 396.534 5.656 50 0 GKAAMO Cc1cc(C[N@H+]2CCCC23CCN(c2ccc4ncccc4c2)CC3)oc1C ZINC000072475131 136171345 /nfs/dbraw/zinc/17/13/45/136171345.db2.gz JENFBKCZNCSBNX-UHFFFAOYSA-N 1 1 375.516 5.080 50 0 GKAAMO C[C@@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000007002969 136195210 /nfs/dbraw/zinc/19/52/10/136195210.db2.gz YSGBKEPGVSFBEP-CQSZACIVSA-N 1 1 392.330 5.423 50 0 GKAAMO CSc1ccc2c(c1)N(C(=O)C[NH+]1CCCCCC1)c1ccccc1S2 ZINC000013058450 136200982 /nfs/dbraw/zinc/20/09/82/136200982.db2.gz LMGMORXZALBKIK-UHFFFAOYSA-N 1 1 384.570 5.414 50 0 GKAAMO Cc1ccc(C)c(C[N@@H+]2CCCN(C(=S)Nc3cccc(Cl)c3C)C2)c1 ZINC000058096666 222039507 /nfs/dbraw/zinc/03/95/07/222039507.db2.gz DUOZNPGYHSFFNN-UHFFFAOYSA-N 1 1 387.980 5.127 50 0 GKAAMO Cc1ccc(C)c(C[N@H+]2CCCN(C(=S)Nc3cccc(Cl)c3C)C2)c1 ZINC000058096666 222039509 /nfs/dbraw/zinc/03/95/09/222039509.db2.gz DUOZNPGYHSFFNN-UHFFFAOYSA-N 1 1 387.980 5.127 50 0 GKAAMO CCc1ccc2c(C[N@@H+](C)Cc3ccc(C(F)(F)F)cc3)cc(=O)oc2c1 ZINC000058342862 222049315 /nfs/dbraw/zinc/04/93/15/222049315.db2.gz NCMWXFUNBCACJX-UHFFFAOYSA-N 1 1 375.390 5.006 50 0 GKAAMO Cc1oc(-c2ccccc2Cl)nc1C[N@H+]1CCCC[C@@H]1CCc1ccccn1 ZINC000067871717 222165044 /nfs/dbraw/zinc/16/50/44/222165044.db2.gz XKJBQWRPRBZNAO-LJQANCHMSA-N 1 1 395.934 5.686 50 0 GKAAMO CC(=O)c1cc(C[N@H+]2CCC[C@H](CCc3ccccc3C(F)(F)F)C2)n(C)c1 ZINC000071681356 222188434 /nfs/dbraw/zinc/18/84/34/222188434.db2.gz UMUHCQIZFLPQLS-QGZVFWFLSA-N 1 1 392.465 5.091 50 0 GKAAMO O=C(c1c[nH+]c2ccccc2c1NCc1ccccc1Cl)N1CCCCC1 ZINC000072328450 222228993 /nfs/dbraw/zinc/22/89/93/222228993.db2.gz QPOJGXJYDFNSCZ-UHFFFAOYSA-N 1 1 379.891 5.126 50 0 GKAAMO C[N@H+](Cc1ccncn1)Cc1cc2ccc(Cl)cc2nc1-c1ccsc1 ZINC000072420118 222257213 /nfs/dbraw/zinc/25/72/13/222257213.db2.gz VNOPDMVXANWHBX-UHFFFAOYSA-N 1 1 380.904 5.039 50 0 GKAAMO C[N@@H+](Cc1ccncn1)Cc1cc2ccc(Cl)cc2nc1-c1ccsc1 ZINC000072420118 222257215 /nfs/dbraw/zinc/25/72/15/222257215.db2.gz VNOPDMVXANWHBX-UHFFFAOYSA-N 1 1 380.904 5.039 50 0 GKAAMO Cc1cccc2cc(C[N@H+]3CCC[C@H]3c3ccccn3)c(-c3cccs3)nc12 ZINC000072430573 222259747 /nfs/dbraw/zinc/25/97/47/222259747.db2.gz IRVXWPYQTNHSGF-NRFANRHFSA-N 1 1 385.536 6.004 50 0 GKAAMO Cc1cccc([C@H]2C[C@@H](C(=O)Nc3ccccc3)C[N@@H+](Cc3ccccc3)C2)c1 ZINC000096236629 222401130 /nfs/dbraw/zinc/40/11/30/222401130.db2.gz QGYWTGZWCAOYTI-BJKOFHAPSA-N 1 1 384.523 5.239 50 0 GKAAMO COc1cc2c(cc1OC)C1(CCCCC1)C[N@@H+](CCCc1ccccc1)C2 ZINC000000755137 570222454 /nfs/dbraw/zinc/22/24/54/570222454.db2.gz BHSKJTRDRSIRGF-UHFFFAOYSA-N 1 1 379.544 5.354 50 0 GKAAMO Cc1cccc(C[N@@H+](C)CCO[C@@H](c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000085406285 570225706 /nfs/dbraw/zinc/22/57/06/570225706.db2.gz ORPXSOIWLSNRCR-DEOSSOPVSA-N 1 1 379.931 5.886 50 0 GKAAMO c1c(-c2ccccc2)c2c(nc[nH+]c2NCc2cccnc2)n1-c1ccccc1 ZINC000001447544 570225833 /nfs/dbraw/zinc/22/58/33/570225833.db2.gz WMSOKGWLTXTAOY-UHFFFAOYSA-N 1 1 377.451 5.095 50 0 GKAAMO CCc1cccc(C)c1NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019897182 570228502 /nfs/dbraw/zinc/22/85/02/570228502.db2.gz SHOJTIXYLTWTNM-UHFFFAOYSA-N 1 1 384.523 5.368 50 0 GKAAMO COc1ccc([C@H]2CCC[N@@H+]2Cc2coc(-c3ccc(C)cc3C)n2)cc1OC ZINC000048303829 570231787 /nfs/dbraw/zinc/23/17/87/570231787.db2.gz ZWORLAZMEKZNTP-OAQYLSRUSA-N 1 1 392.499 5.313 50 0 GKAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2coc(-c3ccc(C)cc3C)n2)cc1OC ZINC000048303829 570231791 /nfs/dbraw/zinc/23/17/91/570231791.db2.gz ZWORLAZMEKZNTP-OAQYLSRUSA-N 1 1 392.499 5.313 50 0 GKAAMO C[C@@H](c1ccncn1)[N@H+](C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000096879115 570232902 /nfs/dbraw/zinc/23/29/02/570232902.db2.gz VIVDXQJMDBBGIL-SFHVURJKSA-N 1 1 389.547 5.118 50 0 GKAAMO C[C@@H](c1ccncn1)[N@@H+](C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000096879115 570232904 /nfs/dbraw/zinc/23/29/04/570232904.db2.gz VIVDXQJMDBBGIL-SFHVURJKSA-N 1 1 389.547 5.118 50 0 GKAAMO C[C@H](c1nc2ccccc2s1)[N@H+](C)Cc1ccc(OCc2ccccn2)cc1 ZINC000048311907 570233333 /nfs/dbraw/zinc/23/33/33/570233333.db2.gz ZKJLBUXMHOLJLN-QGZVFWFLSA-N 1 1 389.524 5.463 50 0 GKAAMO C[C@H](c1nc2ccccc2s1)[N@@H+](C)Cc1ccc(OCc2ccccn2)cc1 ZINC000048311907 570233338 /nfs/dbraw/zinc/23/33/38/570233338.db2.gz ZKJLBUXMHOLJLN-QGZVFWFLSA-N 1 1 389.524 5.463 50 0 GKAAMO C[C@@H](c1nc2ccccc2s1)[N@H+](C)Cc1ccc(OCc2ccccn2)cc1 ZINC000048311905 570233429 /nfs/dbraw/zinc/23/34/29/570233429.db2.gz ZKJLBUXMHOLJLN-KRWDZBQOSA-N 1 1 389.524 5.463 50 0 GKAAMO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)Cc1ccc(OCc2ccccn2)cc1 ZINC000048311905 570233431 /nfs/dbraw/zinc/23/34/31/570233431.db2.gz ZKJLBUXMHOLJLN-KRWDZBQOSA-N 1 1 389.524 5.463 50 0 GKAAMO CC[C@@H](C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000023309881 570237070 /nfs/dbraw/zinc/23/70/70/570237070.db2.gz BRZFGKAKMYUPDZ-RUZDIDTESA-N 1 1 398.550 5.114 50 0 GKAAMO CCOc1cccc(-c2cccc(-c3nc(C[N@@H+](C)CC(C)C)cs3)c2)c1 ZINC000023317961 570241879 /nfs/dbraw/zinc/24/18/79/570241879.db2.gz QRFIOSWCWCLNOS-UHFFFAOYSA-N 1 1 380.557 5.964 50 0 GKAAMO COc1ccc(F)c(-c2nc(C[N@H+]3CCC[C@@H](c4ccccc4)C3)c(C)o2)c1 ZINC000020534571 570265723 /nfs/dbraw/zinc/26/57/23/570265723.db2.gz MWYHHZQJYKGZMG-GOSISDBHSA-N 1 1 380.463 5.177 50 0 GKAAMO c1ccc(C[N@H+]2CCCn3c4ccc(C5CCCCC5)cc4c4c3[C@H]2CCC4)cc1 ZINC000002179588 570277370 /nfs/dbraw/zinc/27/73/70/570277370.db2.gz BOMULZWGJODZMX-HHHXNRCGSA-N 1 1 398.594 6.972 50 0 GKAAMO C[N@@H+]1CCc2ccccc2[C@]12C[C@@H](c1ccccc1)c1c(ccc3ccccc31)O2 ZINC000101358586 570282812 /nfs/dbraw/zinc/28/28/12/570282812.db2.gz AQKKAFOHJNMXGQ-RBJSKKJNSA-N 1 1 391.514 6.095 50 0 GKAAMO C[N@H+]1CCc2ccccc2[C@]12C[C@@H](c1ccccc1)c1c(ccc3ccccc31)O2 ZINC000101358586 570282815 /nfs/dbraw/zinc/28/28/15/570282815.db2.gz AQKKAFOHJNMXGQ-RBJSKKJNSA-N 1 1 391.514 6.095 50 0 GKAAMO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+]2CCC[C@@H]2c2cccs2)o1 ZINC000020948008 570285690 /nfs/dbraw/zinc/28/56/90/570285690.db2.gz IKGMHLHFBRFZNO-MRXNPFEDSA-N 1 1 392.484 5.099 50 0 GKAAMO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+]2CCC[C@@H]2c2cccs2)o1 ZINC000020948008 570285692 /nfs/dbraw/zinc/28/56/92/570285692.db2.gz IKGMHLHFBRFZNO-MRXNPFEDSA-N 1 1 392.484 5.099 50 0 GKAAMO C[N@H+](CC(=O)Nc1cccc(Cl)c1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000012921832 570294821 /nfs/dbraw/zinc/29/48/21/570294821.db2.gz UGXVESFZHNGEMG-JOCHJYFZSA-N 1 1 382.866 5.139 50 0 GKAAMO C[N@@H+](CC(=O)Nc1cccc(Cl)c1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000012921832 570294823 /nfs/dbraw/zinc/29/48/23/570294823.db2.gz UGXVESFZHNGEMG-JOCHJYFZSA-N 1 1 382.866 5.139 50 0 GKAAMO Cc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2N1CCC(C)CC1 ZINC000021798030 570296234 /nfs/dbraw/zinc/29/62/34/570296234.db2.gz GNCUSVLTLUDLPT-UHFFFAOYSA-N 1 1 382.511 5.632 50 0 GKAAMO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@H+](C1CCC(C)CC1)CC2 ZINC000022023275 570302135 /nfs/dbraw/zinc/30/21/35/570302135.db2.gz MHNDOIQKQODLFA-XWKHCGOCSA-N 1 1 399.962 5.883 50 0 GKAAMO C[C@@H](C[N@@H+]1[C@H](C)CCC[C@@H]1C)OC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 ZINC000106674286 570307090 /nfs/dbraw/zinc/30/70/90/570307090.db2.gz NOQYIASRNSNDSL-OTWHNJEPSA-N 1 1 387.608 6.090 50 0 GKAAMO Fc1ccc([C@H](c2ccccc2)[NH+]2CCN(Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000022454868 570317232 /nfs/dbraw/zinc/31/72/32/570317232.db2.gz XXHZCEFLKKELQZ-SANMLTNESA-N 1 1 399.513 5.214 50 0 GKAAMO Clc1ccc(-c2ccc(CN3CC[N@H+]4CCC[C@@H]4[C@@H]3C3CCCCC3)o2)cc1 ZINC000022587871 570322301 /nfs/dbraw/zinc/32/23/01/570322301.db2.gz WQNYQIKLPXBRNE-VWNXMTODSA-N 1 1 398.978 5.829 50 0 GKAAMO Clc1ccc(-c2ccc(C[N@@H+]3CCN4CCC[C@@H]4[C@@H]3C3CCCCC3)o2)cc1 ZINC000022587871 570322303 /nfs/dbraw/zinc/32/23/03/570322303.db2.gz WQNYQIKLPXBRNE-VWNXMTODSA-N 1 1 398.978 5.829 50 0 GKAAMO Clc1ccc(-c2ccc(C[N@H+]3CCN4CCC[C@@H]4[C@@H]3C3CCCCC3)o2)cc1 ZINC000022587871 570322304 /nfs/dbraw/zinc/32/23/04/570322304.db2.gz WQNYQIKLPXBRNE-VWNXMTODSA-N 1 1 398.978 5.829 50 0 GKAAMO CCc1cccc2c(C(=O)[C@H]([NH2+]Cc3ccc(C)cc3)c3ccccc3)c[nH]c21 ZINC000023508704 570364352 /nfs/dbraw/zinc/36/43/52/570364352.db2.gz XHVQPYTXDPJGQI-RUZDIDTESA-N 1 1 382.507 5.753 50 0 GKAAMO CCc1cccc2c(C(=O)[C@@H]([NH2+]Cc3ccc(C)cc3)c3ccccc3)c[nH]c21 ZINC000023508701 570364359 /nfs/dbraw/zinc/36/43/59/570364359.db2.gz XHVQPYTXDPJGQI-VWLOTQADSA-N 1 1 382.507 5.753 50 0 GKAAMO c1c(C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)noc1-c1ccccc1 ZINC000023935600 570375511 /nfs/dbraw/zinc/37/55/11/570375511.db2.gz QPMJTPHRAYCUPE-QGZVFWFLSA-N 1 1 375.497 5.331 50 0 GKAAMO Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H](c4nc5ccccc5s4)C3)o2)c1 ZINC000023956044 570375873 /nfs/dbraw/zinc/37/58/73/570375873.db2.gz ANZJQMCOBFNTPX-KRWDZBQOSA-N 1 1 390.512 5.034 50 0 GKAAMO Cc1ccc(-c2noc(C[N@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)n2)cc1 ZINC000024602054 570387422 /nfs/dbraw/zinc/38/74/22/570387422.db2.gz WCZLSJAHCSLLKF-QGZVFWFLSA-N 1 1 390.512 5.034 50 0 GKAAMO Cc1ccc(-c2noc(C[N@H+]3CCC[C@H](c4nc5ccccc5s4)C3)n2)cc1 ZINC000024602056 570387466 /nfs/dbraw/zinc/38/74/66/570387466.db2.gz WCZLSJAHCSLLKF-KRWDZBQOSA-N 1 1 390.512 5.034 50 0 GKAAMO COc1ccc([C@H](C)[N@@H+](C)CCC(c2ccccc2)c2ccccc2)cc1OC ZINC000004728950 570398413 /nfs/dbraw/zinc/39/84/13/570398413.db2.gz DQDBEVIQIOCIFE-FQEVSTJZSA-N 1 1 389.539 5.919 50 0 GKAAMO CCCC[N@@H+](CCCNC(=O)c1csc2c1CC[C@@H](C)C2)Cc1ccccc1 ZINC000005070276 570411175 /nfs/dbraw/zinc/41/11/75/570411175.db2.gz CPPNONULSSGUSW-LJQANCHMSA-N 1 1 398.616 5.295 50 0 GKAAMO CC(C)(C)c1ccc(C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000514251354 570416346 /nfs/dbraw/zinc/41/63/46/570416346.db2.gz OELOQGLQVOOVCP-UHFFFAOYSA-N 1 1 398.594 5.891 50 0 GKAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000006455149 570426107 /nfs/dbraw/zinc/42/61/07/570426107.db2.gz LZQFQOVIWCMKSK-BJSKQTLOSA-N 1 1 397.603 5.157 50 0 GKAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccccc2Cl)cc1 ZINC000005151790 570428735 /nfs/dbraw/zinc/42/87/35/570428735.db2.gz BYWHFODVRVSDOY-WWNPGLIZSA-N 1 1 385.935 5.217 50 0 GKAAMO Cc1[nH+]ccn1-c1cc(-c2ccccc2)nc2c(-c3ccc(Cl)cc3)cnn21 ZINC000005209147 570431392 /nfs/dbraw/zinc/43/13/92/570431392.db2.gz FUZYHZZSGKJHGP-UHFFFAOYSA-N 1 1 385.858 5.211 50 0 GKAAMO Fc1ccc(-c2nc(C[N@@H+](Cc3ccc4c(c3)OCO4)C3CCCC3)co2)cc1 ZINC000027237307 570432662 /nfs/dbraw/zinc/43/26/62/570432662.db2.gz YVDVYPQGBPVUMH-UHFFFAOYSA-N 1 1 394.446 5.154 50 0 GKAAMO CC[N@@H+](CC[C@@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)Cc1ccc(OC)cc1 ZINC000100743197 570437981 /nfs/dbraw/zinc/43/79/81/570437981.db2.gz YKCUWIVBCFMJNZ-ZCYQVOJMSA-N 1 1 395.587 5.896 50 0 biogenic GKAAMO CC(C)(C)c1ccc(C[N@@H+](Cc2cccn2Cc2ccc(F)cc2)C2CC2)cc1 ZINC000035843756 570463712 /nfs/dbraw/zinc/46/37/12/570463712.db2.gz OBLVHYPSHBPMLZ-UHFFFAOYSA-N 1 1 390.546 6.138 50 0 GKAAMO COc1cccc(Cn2cccc2C[N@@H+](Cc2cccc(F)c2)[C@H](C)C(C)C)c1 ZINC000035841131 570463750 /nfs/dbraw/zinc/46/37/50/570463750.db2.gz RJUWEINDXJCZCM-HXUWFJFHSA-N 1 1 394.534 5.731 50 0 GKAAMO CC(C)[C@@H](C)[N@@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1ccccc1F ZINC000035841238 570463812 /nfs/dbraw/zinc/46/38/12/570463812.db2.gz MVPQKHJDIQXJJS-LJQANCHMSA-N 1 1 382.498 5.861 50 0 GKAAMO Cc1cccc(C[N@@H+](CCC(C)C)Cc2cccn2Cc2ccc(F)cc2)c1 ZINC000035843760 570463900 /nfs/dbraw/zinc/46/39/00/570463900.db2.gz GBDZVIZLEKQVOD-UHFFFAOYSA-N 1 1 378.535 6.032 50 0 GKAAMO CC(C)[C@H](C)[N@@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(Cl)c1 ZINC000035843770 570464341 /nfs/dbraw/zinc/46/43/41/570464341.db2.gz AHYISSHOCDSJBD-IBGZPJMESA-N 1 1 398.953 6.376 50 0 GKAAMO Fc1ccccc1COc1ccc(Br)cc1C[NH2+]Cc1ccco1 ZINC000007523663 570507229 /nfs/dbraw/zinc/50/72/29/570507229.db2.gz QMGGHEWHNNAHHR-UHFFFAOYSA-N 1 1 390.252 5.050 50 0 GKAAMO CCCc1ccc(OCCCC[N@H+]2CCCC[C@H]2c2cccnc2)c(OC)c1 ZINC000006624473 570508561 /nfs/dbraw/zinc/50/85/61/570508561.db2.gz QROSJJZDPVLDOR-QFIPXVFZSA-N 1 1 382.548 5.429 50 0 biogenic GKAAMO C[C@@H]1C[C@@H](C)CN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)C1 ZINC000002714809 570509224 /nfs/dbraw/zinc/50/92/24/570509224.db2.gz LLMLUPSAGHTUME-RTBURBONSA-N 1 1 382.511 5.570 50 0 GKAAMO c1c(-c2ccccc2)c2c(nc[nH+]c2NCc2ccccc2)n1-c1ccccc1 ZINC000002714095 570509276 /nfs/dbraw/zinc/50/92/76/570509276.db2.gz OMSBLLGGNDDUEV-UHFFFAOYSA-N 1 1 376.463 5.700 50 0 GKAAMO C[C@H]1C[C@H](C)CN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)C1 ZINC000002714811 570509588 /nfs/dbraw/zinc/50/95/88/570509588.db2.gz LLMLUPSAGHTUME-OALUTQOASA-N 1 1 382.511 5.570 50 0 GKAAMO CCOC(=O)CC1=CC(SCc2ccc(Cl)cc2)=[NH+]c2ccccc2N1 ZINC000064661278 570513538 /nfs/dbraw/zinc/51/35/38/570513538.db2.gz JXIGVOLNVACQDY-UHFFFAOYSA-N 1 1 386.904 5.566 50 0 GKAAMO CCOC(=O)CC1=CC(SCc2cccc(Cl)c2)=[NH+]c2ccccc2N1 ZINC000064661274 570513588 /nfs/dbraw/zinc/51/35/88/570513588.db2.gz FTTCHTCVHNVRBG-UHFFFAOYSA-N 1 1 386.904 5.566 50 0 GKAAMO COc1ccc(C[N@H+]2CCCCC[C@@H]2c2ccc(Cl)cc2)c(OC)c1OC ZINC000033087126 570519668 /nfs/dbraw/zinc/51/96/68/570519668.db2.gz HRERUZFXZLCRMU-LJQANCHMSA-N 1 1 389.923 5.483 50 0 GKAAMO COc1ccc(C[N@@H+]2CCCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)c(OC)c1 ZINC000022077995 570537868 /nfs/dbraw/zinc/53/78/68/570537868.db2.gz OBVLDPQSCXUBJU-QHCPKHFHSA-N 1 1 390.527 5.250 50 0 GKAAMO COc1ccc(C[N@H+]2CCCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)c(OC)c1 ZINC000022077995 570537871 /nfs/dbraw/zinc/53/78/71/570537871.db2.gz OBVLDPQSCXUBJU-QHCPKHFHSA-N 1 1 390.527 5.250 50 0 GKAAMO Cc1cc(Nc2ccc(NC(=O)c3ccco3)cc2)nc(NC2CCCCC2)[nH+]1 ZINC000064801225 570547139 /nfs/dbraw/zinc/54/71/39/570547139.db2.gz XJWKWCGEAYOVOI-UHFFFAOYSA-N 1 1 391.475 5.119 50 0 GKAAMO C[C@H]1CCC[N@H+]([C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)C1 ZINC000034896597 570547240 /nfs/dbraw/zinc/54/72/40/570547240.db2.gz XLHQGNYHSBLDPS-LIRRHRJNSA-N 1 1 377.315 5.405 50 0 GKAAMO C[C@H]1CCCc2[nH+]cc([C@@H](CC(=O)Nc3ccc(F)cc3)c3cccc(F)c3)n21 ZINC000034920008 570547667 /nfs/dbraw/zinc/54/76/67/570547667.db2.gz XMJOUGGQHPOEPT-YWZLYKJASA-N 1 1 395.453 5.219 50 0 GKAAMO C[C@@H]1CCCc2[nH+]cc([C@@H](CC(=O)Nc3ccc(F)cc3)c3cccc(F)c3)n21 ZINC000034920006 570547713 /nfs/dbraw/zinc/54/77/13/570547713.db2.gz XMJOUGGQHPOEPT-QRWLVFNGSA-N 1 1 395.453 5.219 50 0 GKAAMO CCCC(O)(CCC)c1ccc(C[N@@H+](Cc2ccccc2OC)[C@H](C)CC)o1 ZINC000036167796 570556777 /nfs/dbraw/zinc/55/67/77/570556777.db2.gz OQQBJGNMJQGHQO-LJQANCHMSA-N 1 1 387.564 5.877 50 0 GKAAMO CCC[N@@H+](Cc1ccc(C(O)(C=C(C)C)C=C(C)C)o1)Cc1ccccc1OC ZINC000036167851 570556805 /nfs/dbraw/zinc/55/68/05/570556805.db2.gz NLOKVQKBNKRADE-UHFFFAOYSA-N 1 1 397.559 5.820 50 0 GKAAMO COc1ccc2oc(=O)cc(C[N@@H+](Cc3ccco3)[C@@H]3CCC[C@@H](C)[C@H]3C)c2c1 ZINC000006743183 570564544 /nfs/dbraw/zinc/56/45/44/570564544.db2.gz DUYKSUKMPDEBPO-DRSNIGMVSA-N 1 1 395.499 5.222 50 0 GKAAMO C[N@@H+](Cc1cccc(Cl)c1)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000006750540 570568608 /nfs/dbraw/zinc/56/86/08/570568608.db2.gz SSFLKXRPNNMCLR-UHFFFAOYSA-N 1 1 392.330 5.122 50 0 GKAAMO Cc1ccc(C)c(-c2csc3[nH]c(C[N@H+](C)C4CCCCC4)nc(=O)c23)c1 ZINC000036204153 570569077 /nfs/dbraw/zinc/56/90/77/570569077.db2.gz TWXKRZUJVBMMAN-UHFFFAOYSA-N 1 1 381.545 5.033 50 0 GKAAMO C[C@@H]([NH2+][C@H](C)c1ccccc1Br)c1ccccc1Br ZINC000036945583 570570602 /nfs/dbraw/zinc/57/06/02/570570602.db2.gz IVHPEUYIDISHIW-VXGBXAGGSA-N 1 1 383.127 5.623 50 0 GKAAMO C[C@@H]([NH2+][C@@H](C)c1ccccc1Br)c1ccccc1Br ZINC000036945582 570570764 /nfs/dbraw/zinc/57/07/64/570570764.db2.gz IVHPEUYIDISHIW-TXEJJXNPSA-N 1 1 383.127 5.623 50 0 GKAAMO Cc1oc(-c2ccccc2Cl)nc1C[N@@H+](C)Cc1cccc2ncccc12 ZINC000011880057 570590990 /nfs/dbraw/zinc/59/09/90/570590990.db2.gz PIMATXOOJKIHGB-UHFFFAOYSA-N 1 1 377.875 5.484 50 0 GKAAMO Cc1oc(-c2ccccc2Cl)nc1C[N@H+](C)Cc1cccc2ncccc12 ZINC000011880057 570590991 /nfs/dbraw/zinc/59/09/91/570590991.db2.gz PIMATXOOJKIHGB-UHFFFAOYSA-N 1 1 377.875 5.484 50 0 GKAAMO CC[C@H](C)NC(=O)[C@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000169677959 570599773 /nfs/dbraw/zinc/59/97/73/570599773.db2.gz VVJMFUZZRXYGJP-XJABCFGWSA-N 1 1 384.951 5.208 50 0 GKAAMO CCOc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)cc1 ZINC000042628395 570621401 /nfs/dbraw/zinc/62/14/01/570621401.db2.gz HLCLZUHHNFVHNT-QGZVFWFLSA-N 1 1 397.469 5.133 50 0 GKAAMO CCOc1ccccc1C[N@H+]1CCC[C@H](c2n[nH]cc2-c2ccc(F)c(F)c2)C1 ZINC000043022930 570624829 /nfs/dbraw/zinc/62/48/29/570624829.db2.gz OCZBVWSYHBTDIZ-SFHVURJKSA-N 1 1 397.469 5.133 50 0 GKAAMO CCOc1cc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(Cl)cc2)ccc1O ZINC000036347465 570628799 /nfs/dbraw/zinc/62/87/99/570628799.db2.gz PTXSDFSUPDPNEE-HSZRJFAPSA-N 1 1 396.918 5.241 50 0 GKAAMO CCOc1cc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(Cl)cc2)ccc1O ZINC000036347465 570628801 /nfs/dbraw/zinc/62/88/01/570628801.db2.gz PTXSDFSUPDPNEE-HSZRJFAPSA-N 1 1 396.918 5.241 50 0 GKAAMO CC(C)c1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2cccc(Cl)c2)cc1 ZINC000036347537 570629659 /nfs/dbraw/zinc/62/96/59/570629659.db2.gz RESCSQZEAVTRSH-XMMPIXPASA-N 1 1 378.947 6.260 50 0 GKAAMO CCc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccc(OC)cc2OC)cc1 ZINC000036348070 570630805 /nfs/dbraw/zinc/63/08/05/570630805.db2.gz CEMQEHJBQCWLLS-VWLOTQADSA-N 1 1 390.527 5.063 50 0 GKAAMO Cc1ccc(C)c([C@H]2c3cccn3CCC[N@H+]2Cc2ccc(F)c(Cl)c2)c1 ZINC000036348152 570630945 /nfs/dbraw/zinc/63/09/45/570630945.db2.gz CNRJJKQENLCYIB-QHCPKHFHSA-N 1 1 382.910 5.893 50 0 GKAAMO Cc1ccc(C)c([C@H]2c3cccn3CCC[N@@H+]2Cc2ccc(F)c(Cl)c2)c1 ZINC000036348152 570630949 /nfs/dbraw/zinc/63/09/49/570630949.db2.gz CNRJJKQENLCYIB-QHCPKHFHSA-N 1 1 382.910 5.893 50 0 GKAAMO COc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2cc(C)ccc2C)c(OC)c1 ZINC000036348130 570631069 /nfs/dbraw/zinc/63/10/69/570631069.db2.gz CIKUZHALCDIHGG-VWLOTQADSA-N 1 1 390.527 5.117 50 0 GKAAMO COc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccc(C(C)C)cc2)cc1O ZINC000036348745 570631114 /nfs/dbraw/zinc/63/11/14/570631114.db2.gz BFHWLBGYRBCKBG-RUZDIDTESA-N 1 1 390.527 5.321 50 0 GKAAMO C[C@H](C[N@@H+]1[C@H](C)CCC[C@@H]1C)OC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 ZINC000045221522 570646520 /nfs/dbraw/zinc/64/65/20/570646520.db2.gz NOQYIASRNSNDSL-CEXWTWQISA-N 1 1 387.608 6.090 50 0 GKAAMO CC(C)(C)P(=[NH+]c1cccc(C(F)(F)F)c1)(N1CCOCC1)C(C)(C)C ZINC000005284115 570661696 /nfs/dbraw/zinc/66/16/96/570661696.db2.gz LHHLGBSOFVLLER-UHFFFAOYSA-N 1 1 390.430 6.382 50 0 GKAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+](CCC(C)C)C2)cc1 ZINC000012455535 570669128 /nfs/dbraw/zinc/66/91/28/570669128.db2.gz GHZMPHQBHAWFRM-HXUWFJFHSA-N 1 1 380.532 5.059 50 0 GKAAMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@@H+](C)[C@H](C)c1cccs1 ZINC000012469758 570672247 /nfs/dbraw/zinc/67/22/47/570672247.db2.gz ZNCJBTHXFAJLBG-GFCCVEGCSA-N 1 1 380.435 5.923 50 0 GKAAMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@H+](C)[C@H](C)c1cccs1 ZINC000012469758 570672251 /nfs/dbraw/zinc/67/22/51/570672251.db2.gz ZNCJBTHXFAJLBG-GFCCVEGCSA-N 1 1 380.435 5.923 50 0 GKAAMO CCC[N@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C)C[C@@H]1CCCO1 ZINC000012471663 570672677 /nfs/dbraw/zinc/67/26/77/570672677.db2.gz WINAOSPMDROWPX-KRWDZBQOSA-N 1 1 382.426 5.060 50 0 GKAAMO CCOc1ccccc1-c1nc(C[N@@H+]2CCCC[C@@H]2c2ccccn2)c(C)o1 ZINC000012430965 570674801 /nfs/dbraw/zinc/67/48/01/570674801.db2.gz JLNQOZDZLRRUAV-OAQYLSRUSA-N 1 1 377.488 5.171 50 0 GKAAMO CCOc1ccccc1-c1nc(C[N@H+]2CCCC[C@@H]2c2ccccn2)c(C)o1 ZINC000012430965 570674805 /nfs/dbraw/zinc/67/48/05/570674805.db2.gz JLNQOZDZLRRUAV-OAQYLSRUSA-N 1 1 377.488 5.171 50 0 GKAAMO CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CC[N@H+]1Cc1cccc(F)c1 ZINC000013769852 570677205 /nfs/dbraw/zinc/67/72/05/570677205.db2.gz UCEGOWGVZLOCAE-GMKZXUHWSA-N 1 1 383.507 5.093 50 0 GKAAMO Cc1oc(-c2cccc(F)c2)nc1C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000055042347 570680211 /nfs/dbraw/zinc/68/02/11/570680211.db2.gz JTTBBZPHVFLXMT-UHFFFAOYSA-N 1 1 378.369 5.440 50 0 GKAAMO Cc1oc(-c2cccc(F)c2)nc1C[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000055042347 570680213 /nfs/dbraw/zinc/68/02/13/570680213.db2.gz JTTBBZPHVFLXMT-UHFFFAOYSA-N 1 1 378.369 5.440 50 0 GKAAMO CCOc1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3cccc(OC)c3)c(C)o2)cc1 ZINC000012573576 570681883 /nfs/dbraw/zinc/68/18/83/570681883.db2.gz YUPAMTGQBKYBNA-HSZRJFAPSA-N 1 1 392.499 5.394 50 0 GKAAMO Cc1ccc(-n2cc(C[N@@H+](C)[C@@H](C)c3ccncn3)c(-c3cccc(C)c3)n2)cc1 ZINC000055153823 570684980 /nfs/dbraw/zinc/68/49/80/570684980.db2.gz CNXGQIHDLFNBHR-FQEVSTJZSA-N 1 1 397.526 5.139 50 0 GKAAMO Cc1ccc(-n2cc(C[N@H+](C)[C@@H](C)c3ccncn3)c(-c3cccc(C)c3)n2)cc1 ZINC000055153823 570684982 /nfs/dbraw/zinc/68/49/82/570684982.db2.gz CNXGQIHDLFNBHR-FQEVSTJZSA-N 1 1 397.526 5.139 50 0 GKAAMO COc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CC[N@H+]1C/C=C/c1ccccc1 ZINC000015953824 570685363 /nfs/dbraw/zinc/68/53/63/570685363.db2.gz CSALCCKLWJOGTI-HIZRFUARSA-N 1 1 377.528 5.077 50 0 biogenic GKAAMO Cc1ccc(-n2cc(C[N@@H+](C)Cc3cccnc3)c(-c3ccc(F)cc3)n2)cc1 ZINC000055282885 570690234 /nfs/dbraw/zinc/69/02/34/570690234.db2.gz QELQKKVCFRNZFP-UHFFFAOYSA-N 1 1 386.474 5.014 50 0 GKAAMO Cc1ccc(-n2cc(C[N@H+](C)Cc3cccnc3)c(-c3ccc(F)cc3)n2)cc1 ZINC000055282885 570690237 /nfs/dbraw/zinc/69/02/37/570690237.db2.gz QELQKKVCFRNZFP-UHFFFAOYSA-N 1 1 386.474 5.014 50 0 GKAAMO FC(F)(F)c1cccc(N2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)c1 ZINC000055542918 570696199 /nfs/dbraw/zinc/69/61/99/570696199.db2.gz HJHAWNUNTJZSRX-UHFFFAOYSA-N 1 1 388.355 5.046 50 0 GKAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2cc3ccccc3s2)C1)Nc1ccccc1F ZINC000012707759 570701035 /nfs/dbraw/zinc/70/10/35/570701035.db2.gz DPMDJYBCTJMZQD-KRWDZBQOSA-N 1 1 396.531 5.671 50 0 GKAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2cc3ccccc3o2)C1)Nc1ccccc1F ZINC000012710572 570702110 /nfs/dbraw/zinc/70/21/10/570702110.db2.gz LTMDIRPJABLZRZ-KRWDZBQOSA-N 1 1 380.463 5.203 50 0 GKAAMO COCC[C@H]1CCCC[N@H+]1Cc1nc(-c2cccc(C(F)(F)F)c2)oc1C ZINC000012711737 570702714 /nfs/dbraw/zinc/70/27/14/570702714.db2.gz TUJQLMIDJXOYAJ-QGZVFWFLSA-N 1 1 382.426 5.060 50 0 GKAAMO COc1ccc([C@@H](C)[N@H+](C)Cc2nc(-c3ccc(OC)c(C)c3)oc2C)cc1 ZINC000012710963 570702798 /nfs/dbraw/zinc/70/27/98/570702798.db2.gz SLOXJPVEQWLWOV-MRXNPFEDSA-N 1 1 380.488 5.169 50 0 GKAAMO COc1ccc([C@@H](C)[N@@H+](C)Cc2nc(-c3ccc(OC)c(C)c3)oc2C)cc1 ZINC000012710963 570702801 /nfs/dbraw/zinc/70/28/01/570702801.db2.gz SLOXJPVEQWLWOV-MRXNPFEDSA-N 1 1 380.488 5.169 50 0 GKAAMO C[C@H](C(=O)c1c[nH]c2ccccc12)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000058160407 570712348 /nfs/dbraw/zinc/71/23/48/570712348.db2.gz ZNTWZROIHHAVGF-OAHLLOKOSA-N 1 1 389.524 5.228 50 0 GKAAMO Fc1ccc(-c2noc([C@H]3CCC[N@@H+](Cc4ccc(F)cc4Cl)C3)n2)cc1 ZINC000058159772 570712508 /nfs/dbraw/zinc/71/25/08/570712508.db2.gz ZOGQHDBNDLQAPA-HNNXBMFYSA-N 1 1 389.833 5.048 50 0 GKAAMO CCc1cccc(CC)c1NC(=O)C[N@H+]1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000012991593 570738588 /nfs/dbraw/zinc/73/85/88/570738588.db2.gz VEPJAGKAQYWCKQ-QHCPKHFHSA-N 1 1 394.559 5.376 50 0 GKAAMO Cc1[nH+]c2cc(N[C@H](C)C(=O)Nc3cccc(C)c3)ccc2n1-c1ccccc1 ZINC000013068947 570745040 /nfs/dbraw/zinc/74/50/40/570745040.db2.gz APJGASPFUVUHPG-QGZVFWFLSA-N 1 1 384.483 5.081 50 0 GKAAMO CC(C)c1ccccc1NC(=O)CC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000244898805 570786749 /nfs/dbraw/zinc/78/67/49/570786749.db2.gz ZBXZUUWKYKVXNO-UHFFFAOYSA-N 1 1 378.438 5.289 50 0 GKAAMO CSc1cccc(NC(=S)N2CCC([N@@H+](C)C3CCCCCC3)CC2)c1 ZINC000004668572 570813147 /nfs/dbraw/zinc/81/31/47/570813147.db2.gz UCUDIRVGYMEUFS-UHFFFAOYSA-N 1 1 391.650 5.224 50 0 GKAAMO O=C(Nc1ccc(Cl)cc1)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC000033140077 570826354 /nfs/dbraw/zinc/82/63/54/570826354.db2.gz TVTZQLZYCKAOBF-UHFFFAOYSA-N 1 1 377.875 5.500 50 0 GKAAMO O=C(Nc1ccc(Cl)cc1)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC000033140077 570826356 /nfs/dbraw/zinc/82/63/56/570826356.db2.gz TVTZQLZYCKAOBF-UHFFFAOYSA-N 1 1 377.875 5.500 50 0 GKAAMO c1cc(-c2nc(C[NH+]3CCC(c4nc5ccccc5o4)CC3)cs2)cs1 ZINC000014202262 570829859 /nfs/dbraw/zinc/82/98/59/570829859.db2.gz MUDGYXFKOMMYTO-UHFFFAOYSA-N 1 1 381.526 5.392 50 0 GKAAMO FC(F)(F)COc1cccc(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000065575501 570835515 /nfs/dbraw/zinc/83/55/15/570835515.db2.gz SRWAXOOQTOOUNU-MRXNPFEDSA-N 1 1 390.405 5.149 50 0 GKAAMO CC[N@H+](CC(=O)Nc1cc2oc3ccccc3c2cc1OC)Cc1ccccc1 ZINC000007445268 570844440 /nfs/dbraw/zinc/84/44/40/570844440.db2.gz SUBJVDPRQQTGLJ-UHFFFAOYSA-N 1 1 388.467 5.055 50 0 GKAAMO CC[N@@H+](CC(=O)Nc1cc2oc3ccccc3c2cc1OC)Cc1ccccc1 ZINC000007445268 570844443 /nfs/dbraw/zinc/84/44/43/570844443.db2.gz SUBJVDPRQQTGLJ-UHFFFAOYSA-N 1 1 388.467 5.055 50 0 GKAAMO CCOC(=O)[C@H](C)C1=[NH+]c2ccccc2C(c2ccccc2)(c2ccccc2)N1C ZINC000004547802 570857351 /nfs/dbraw/zinc/85/73/51/570857351.db2.gz VJLMRVABDLGQGO-LJQANCHMSA-N 1 1 398.506 5.153 50 0 GKAAMO C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012568047 570872013 /nfs/dbraw/zinc/87/20/13/570872013.db2.gz ZRMOYBFYPALLGV-DOTOQJQBSA-N 1 1 390.512 5.287 50 0 GKAAMO CCCC[C@@H](CC)C(=O)Nc1ccc2[nH]cc(CC[N@@H+](CCC)CC3CC3)c2c1 ZINC000022347017 570887201 /nfs/dbraw/zinc/88/72/01/570887201.db2.gz YJQYFGCMEDLZCP-HXUWFJFHSA-N 1 1 397.607 5.987 50 0 GKAAMO Cc1cccc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)[C@H]2c2ccccc2C)c1 ZINC000103623912 570887741 /nfs/dbraw/zinc/88/77/41/570887741.db2.gz ZHXMPWDWQATUTK-AREMUKBSSA-N 1 1 388.530 5.849 50 0 GKAAMO Cc1cccc(C[N@H+]2CCCN(Cc3ccc(F)cc3)[C@H]2c2ccccc2C)c1 ZINC000103623912 570887743 /nfs/dbraw/zinc/88/77/43/570887743.db2.gz ZHXMPWDWQATUTK-AREMUKBSSA-N 1 1 388.530 5.849 50 0 GKAAMO COc1ccc2oc(=O)cc(C[N@@H+](Cc3ccco3)[C@@H]3CCC[C@H](C)[C@@H]3C)c2c1 ZINC000103686430 570888270 /nfs/dbraw/zinc/88/82/70/570888270.db2.gz DUYKSUKMPDEBPO-PNLZDCPESA-N 1 1 395.499 5.222 50 0 GKAAMO CC(C)C(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@H+](C(C)C)C2 ZINC000023153865 570919984 /nfs/dbraw/zinc/91/99/84/570919984.db2.gz GHGZDIYNNPJPRP-UHFFFAOYSA-N 1 1 399.585 5.386 50 0 GKAAMO C[N@@H+](CCOCCOc1cccc(Oc2ccccc2)c1)Cc1ccccc1 ZINC000002822040 570933198 /nfs/dbraw/zinc/93/31/98/570933198.db2.gz JFQVOHHXNBNTEE-UHFFFAOYSA-N 1 1 377.484 5.006 50 0 GKAAMO CC1CCC([N@H+](Cn2nc(-c3cccs3)n(C3CC3)c2=S)C2CC2)CC1 ZINC000032926874 570938381 /nfs/dbraw/zinc/93/83/81/570938381.db2.gz OWIIYNCPZQJMSP-UHFFFAOYSA-N 1 1 388.606 5.478 50 0 GKAAMO CC1CCC([N@@H+](Cn2nc(-c3cccs3)n(C3CC3)c2=S)C2CC2)CC1 ZINC000032926874 570938382 /nfs/dbraw/zinc/93/83/82/570938382.db2.gz OWIIYNCPZQJMSP-UHFFFAOYSA-N 1 1 388.606 5.478 50 0 GKAAMO FC(F)(F)[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000015443838 570947879 /nfs/dbraw/zinc/94/78/79/570947879.db2.gz CAJDEKFKGHLHPF-LJQANCHMSA-N 1 1 385.433 5.314 50 0 GKAAMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2nc(Cl)ccc2Cl)cc1 ZINC000032936757 570948564 /nfs/dbraw/zinc/94/85/64/570948564.db2.gz PQBBYIGUVHEWJD-CYBMUJFWSA-N 1 1 378.303 5.015 50 0 GKAAMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2nc(Cl)ccc2Cl)cc1 ZINC000032936759 570948867 /nfs/dbraw/zinc/94/88/67/570948867.db2.gz PQBBYIGUVHEWJD-ZDUSSCGKSA-N 1 1 378.303 5.015 50 0 GKAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2sccc2-c2ccc(F)cc2)C1 ZINC000107046293 570970295 /nfs/dbraw/zinc/97/02/95/570970295.db2.gz CJUOCLDYUCOARO-OXQOHEQNSA-N 1 1 394.515 5.120 50 0 GKAAMO CCOc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CC[N@H+]1Cc1ccccc1Cl ZINC000012880281 570980592 /nfs/dbraw/zinc/98/05/92/570980592.db2.gz CGAXGIVILAYNDK-FGCOXFRFSA-N 1 1 399.962 5.607 50 0 biogenic GKAAMO C[C@H]1C[NH2+][C@@]2(/C=C/c3ccc(Br)cc3)N(C1)c1ccccc1C2(C)C ZINC000004812446 570998965 /nfs/dbraw/zinc/99/89/65/570998965.db2.gz RUNMQOUYFVTXJC-AWDPNVCFSA-N 1 1 397.360 5.196 50 0 GKAAMO C[C@@H]1C[NH2+][C@@]2(/C=C/c3ccc(Br)cc3)N(C1)c1ccccc1C2(C)C ZINC000004812445 570999062 /nfs/dbraw/zinc/99/90/62/570999062.db2.gz RUNMQOUYFVTXJC-UYYVDEAQSA-N 1 1 397.360 5.196 50 0 GKAAMO O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000095510099 571081761 /nfs/dbraw/zinc/08/17/61/571081761.db2.gz QROLEBPZAKPKPG-VWLOTQADSA-N 1 1 395.506 5.438 50 0 GKAAMO Cc1ccc2c(c1)NC(C)(C)c1ss/c(=[NH+]\Cc3ccc(Cl)cc3)c1-2 ZINC000018129472 210215431 /nfs/dbraw/zinc/21/54/31/210215431.db2.gz SHHHOXOMJLECHM-QOCHGBHMSA-N 1 1 386.973 6.200 50 0 GKAAMO Cc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)c3cc(F)ccc3[nH]2)cc1 ZINC000015862321 210176480 /nfs/dbraw/zinc/17/64/80/210176480.db2.gz SSXBDJTYPKLFEV-UHFFFAOYSA-N 1 1 386.470 5.178 50 0 GKAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@H+](C3CCCCC3)C2)cc1 ZINC000015075756 210149417 /nfs/dbraw/zinc/14/94/17/210149417.db2.gz VETFXSZOAQDQLO-HXUWFJFHSA-N 1 1 392.543 5.345 50 0 GKAAMO CCC[N@H+](Cc1nc(-c2cccc(C(F)(F)F)c2)oc1C)C[C@H]1CCCO1 ZINC000014968596 210135444 /nfs/dbraw/zinc/13/54/44/210135444.db2.gz LKBPHJZYTPCTPL-QGZVFWFLSA-N 1 1 382.426 5.060 50 0 GKAAMO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@@H+](CC1CC1)C[C@H]1CCCO1 ZINC000014953561 210134111 /nfs/dbraw/zinc/13/41/11/210134111.db2.gz XGOKGAMYHJFVJL-GOSISDBHSA-N 1 1 394.437 5.060 50 0 GKAAMO O=C1C2=C(CCCC2)[C@@H]([NH2+]Cc2ccc(F)cc2)N1[C@H]1CCCc2ccccc21 ZINC000013940368 210096577 /nfs/dbraw/zinc/09/65/77/210096577.db2.gz NRUUXPMTCSCTPL-ZEQRLZLVSA-N 1 1 390.502 5.032 50 0 GKAAMO CC1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC1 ZINC000002714742 209378344 /nfs/dbraw/zinc/37/83/44/209378344.db2.gz ITZCTZDXFNFDEZ-UHFFFAOYSA-N 1 1 386.474 5.463 50 0 GKAAMO Cc1ccc(CNc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1 ZINC000002714049 209378201 /nfs/dbraw/zinc/37/82/01/209378201.db2.gz OEBLXULHTUQEOB-UHFFFAOYSA-N 1 1 390.490 6.008 50 0 GKAAMO CCN(CC)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000002714886 209378074 /nfs/dbraw/zinc/37/80/74/209378074.db2.gz IPKFHTWVDKLBSY-UHFFFAOYSA-N 1 1 390.918 5.896 50 0 GKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCC[C@H](C)C2)cc1 ZINC000001447638 209329396 /nfs/dbraw/zinc/32/93/96/209329396.db2.gz AUUUMGOHCATHKD-SFHVURJKSA-N 1 1 398.510 5.332 50 0 GKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCCCC2)cc1 ZINC000001454783 209329212 /nfs/dbraw/zinc/32/92/12/209329212.db2.gz WWIXHZSXTYXKNL-UHFFFAOYSA-N 1 1 384.483 5.086 50 0 GKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2cccnc2)c1 ZINC000001455557 212246768 /nfs/dbraw/zinc/24/67/68/212246768.db2.gz ZSBLTRAVNLUDRM-UHFFFAOYSA-N 1 1 391.478 5.403 50 0 GKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCC[C@H](C)C2)c1 ZINC000001455560 212246351 /nfs/dbraw/zinc/24/63/51/212246351.db2.gz STOIYSFNYFQXNA-IBGZPJMESA-N 1 1 382.511 5.632 50 0 GKAAMO Fc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccccn2)cc1 ZINC000001447520 212246017 /nfs/dbraw/zinc/24/60/17/212246017.db2.gz BQEYQTLBFBATJX-UHFFFAOYSA-N 1 1 395.441 5.234 50 0 GKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC(C)C)cc1Cl ZINC000001447690 212246250 /nfs/dbraw/zinc/24/62/50/212246250.db2.gz UMMBKWAEOFNIAN-UHFFFAOYSA-N 1 1 376.891 5.870 50 0 GKAAMO CCOc1ccc(-c2[nH+]c3ccc(C)cn3c2NC(C)(C)CC(C)(C)C)cc1 ZINC000004381835 204041752 /nfs/dbraw/zinc/04/17/52/204041752.db2.gz GMAYYFYINKFZTN-UHFFFAOYSA-N 1 1 379.548 6.335 50 0 GKAAMO Cc1ccc(NC(=S)N(CCC[N@@H+]2CCC[C@H](C)C2)Cc2ccco2)cc1C ZINC000003665383 204018153 /nfs/dbraw/zinc/01/81/53/204018153.db2.gz ZSEWKXHIBIZWFF-SFHVURJKSA-N 1 1 399.604 5.217 50 0 GKAAMO CC(C)(C)CC(C)(C)Nc1c(-c2ccc3c(c2)OCO3)[nH+]c2ccc(Cl)cn21 ZINC000004158096 204030064 /nfs/dbraw/zinc/03/00/64/204030064.db2.gz AQCPFVRYFWIUCU-UHFFFAOYSA-N 1 1 399.922 6.010 50 0 GKAAMO COc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CC[N@H+]1Cc1ccccc1Cl ZINC000005163630 204116927 /nfs/dbraw/zinc/11/69/27/204116927.db2.gz BUZOOTVRWDNERF-PTUXOGIPSA-N 1 1 385.935 5.217 50 0 GKAAMO FC(F)(F)c1cccc(Nc2c3ccc(Cl)cc3[nH+]c3c2CCCC3)c1 ZINC000004924417 204092655 /nfs/dbraw/zinc/09/26/55/204092655.db2.gz SCVWHVNCHNKXDN-UHFFFAOYSA-N 1 1 376.809 6.529 50 0 GKAAMO Clc1c(OCCC[N@H+]2CCCC[C@H]2c2cccnc2)ccc2ccccc21 ZINC000006673529 204192178 /nfs/dbraw/zinc/19/21/78/204192178.db2.gz ZTUZPMLGGLBHHW-NRFANRHFSA-N 1 1 380.919 5.884 50 0 biogenic GKAAMO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)Nc1ccc(OCc2ccccc2)cc1 ZINC000008036523 204259778 /nfs/dbraw/zinc/25/97/78/204259778.db2.gz DHZWIBIDMCVXHB-NRFANRHFSA-N 1 1 392.524 5.103 50 0 GKAAMO O=C(C[N@H+]1CCC[C@H]1c1cccs1)Nc1ccc(OCc2ccccc2)cc1 ZINC000008036523 204259782 /nfs/dbraw/zinc/25/97/82/204259782.db2.gz DHZWIBIDMCVXHB-NRFANRHFSA-N 1 1 392.524 5.103 50 0 GKAAMO C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000008074659 204261613 /nfs/dbraw/zinc/26/16/13/204261613.db2.gz XYNXZFMFPIJFAE-HNNXBMFYSA-N 1 1 390.512 5.287 50 0 GKAAMO Cc1cccc(-c2cccc(NC(=O)[C@H]3CCC[N@H+](C4CCSCC4)C3)c2)c1 ZINC000011998210 204366641 /nfs/dbraw/zinc/36/66/41/204366641.db2.gz QISOLBAFENQBQU-NRFANRHFSA-N 1 1 394.584 5.208 50 0 GKAAMO Cc1cccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000036347366 205012583 /nfs/dbraw/zinc/01/25/83/205012583.db2.gz OEZXXYLOFCVQJO-QFIPXVFZSA-N 1 1 384.445 5.811 50 0 GKAAMO COc1cccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccc(C(C)(C)C)cc2)c1 ZINC000036348333 205013070 /nfs/dbraw/zinc/01/30/70/205013070.db2.gz WXIMNESFIMTSHK-VWLOTQADSA-N 1 1 388.555 5.790 50 0 GKAAMO CC(C)c1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(F)cc2F)cc1 ZINC000036348192 205013376 /nfs/dbraw/zinc/01/33/76/205013376.db2.gz FGPBVSIXCVOJSB-XMMPIXPASA-N 1 1 380.482 5.885 50 0 GKAAMO CC(C)c1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(F)cc2F)cc1 ZINC000036348192 205013378 /nfs/dbraw/zinc/01/33/78/205013378.db2.gz FGPBVSIXCVOJSB-XMMPIXPASA-N 1 1 380.482 5.885 50 0 GKAAMO CC[NH+](CC)CCNc1cc(-c2ccc(C(C)(C)C)cc2)nc2ccccc21 ZINC000004541726 209137659 /nfs/dbraw/zinc/13/76/59/209137659.db2.gz YQIOMUZCWRPRCV-UHFFFAOYSA-N 1 1 375.560 5.953 50 0 GKAAMO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@@H+](CC1CCCCC1)CC2 ZINC000049590037 205129186 /nfs/dbraw/zinc/12/91/86/205129186.db2.gz GUOBFSYQCIFNOW-DEOSSOPVSA-N 1 1 399.962 5.885 50 0 GKAAMO C[N@@H+]1C/C(=C/c2ccccc2)C2=NN(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C1 ZINC000051330315 205134081 /nfs/dbraw/zinc/13/40/81/205134081.db2.gz GTJXVFHOQFLCHN-AMUBCXMBSA-N 1 1 379.507 5.249 50 0 GKAAMO CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1ccc(Cl)cc1)[NH2+]C2 ZINC000055211408 205146406 /nfs/dbraw/zinc/14/64/06/205146406.db2.gz XSFIKCCVRWPVDR-JOCHJYFZSA-N 1 1 382.891 5.121 50 0 GKAAMO Cc1oc(-c2ccccc2Cl)nc1C[N@H+]1CCCC[C@H]1CCc1ccccn1 ZINC000067871719 205264986 /nfs/dbraw/zinc/26/49/86/205264986.db2.gz XKJBQWRPRBZNAO-IBGZPJMESA-N 1 1 395.934 5.686 50 0 GKAAMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1 ZINC000072411256 205347084 /nfs/dbraw/zinc/34/70/84/205347084.db2.gz ZQKRPJYHBQMKJM-IBGZPJMESA-N 1 1 398.510 5.467 50 0 GKAAMO CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CC[N@H+]1Cc1ccccc1Cl ZINC000004084121 206293920 /nfs/dbraw/zinc/29/39/20/206293920.db2.gz CGAXGIVILAYNDK-HUVFLSCGSA-N 1 1 399.962 5.607 50 0 GKAAMO COC[C@H](C)Nc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000001447627 206381724 /nfs/dbraw/zinc/38/17/24/206381724.db2.gz VMXRSTJEXPLJIA-HNNXBMFYSA-N 1 1 392.890 5.188 50 0 GKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCC[C@@H](C)C2)c1 ZINC000001455558 206383068 /nfs/dbraw/zinc/38/30/68/206383068.db2.gz STOIYSFNYFQXNA-LJQANCHMSA-N 1 1 382.511 5.632 50 0 GKAAMO Cc1cccc2cc(C[N@H+](C)CCCc3nccn3C)c(-c3cccs3)nc12 ZINC000072432124 211118541 /nfs/dbraw/zinc/11/85/41/211118541.db2.gz HBZDFAIHASTLLA-UHFFFAOYSA-N 1 1 390.556 5.070 50 0 GKAAMO Cc1ccc2[nH]c([C@@H]([NH2+]Cc3cnc(-c4cccc(C)c4)nc3)C(C)C)nc2c1 ZINC000067678383 211014732 /nfs/dbraw/zinc/01/47/32/211014732.db2.gz GVKWRNPLLHEUSP-QFIPXVFZSA-N 1 1 385.515 5.124 50 0 GKAAMO Cc1ccc2nc([C@@H]([NH2+]Cc3cnc(-c4cccc(C)c4)nc3)C(C)C)[nH]c2c1 ZINC000067678383 211014735 /nfs/dbraw/zinc/01/47/35/211014735.db2.gz GVKWRNPLLHEUSP-QFIPXVFZSA-N 1 1 385.515 5.124 50 0 GKAAMO COc1ccc(-c2cc3c(c(OC)c2)OCC[N@H+](Cc2ccc(C)s2)C3)cc1 ZINC000014954343 207032640 /nfs/dbraw/zinc/03/26/40/207032640.db2.gz VHDWJDYFGYRJFF-UHFFFAOYSA-N 1 1 395.524 5.135 50 0 GKAAMO COc1ccc(-c2cc3c(c(OC)c2)OCC[N@@H+](Cc2ccc(C)s2)C3)cc1 ZINC000014954343 207032643 /nfs/dbraw/zinc/03/26/43/207032643.db2.gz VHDWJDYFGYRJFF-UHFFFAOYSA-N 1 1 395.524 5.135 50 0 GKAAMO Cc1ccc(-c2n[nH]cc2C[N@@H+](CCc2ccccc2)Cc2ccccc2)cc1 ZINC000019722205 207155347 /nfs/dbraw/zinc/15/53/47/207155347.db2.gz XPNHPSJTBBRLGC-UHFFFAOYSA-N 1 1 381.523 5.630 50 0 GKAAMO CCOC(=O)C[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)c1ccccc1Cl ZINC000019848668 207166387 /nfs/dbraw/zinc/16/63/87/207166387.db2.gz NMXAEDAGPOPPBN-KRWDZBQOSA-N 1 1 385.813 5.143 50 0 GKAAMO CCOC(=O)C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1)c1ccccc1Cl ZINC000019848666 207166661 /nfs/dbraw/zinc/16/66/61/207166661.db2.gz NMXAEDAGPOPPBN-QGZVFWFLSA-N 1 1 385.813 5.143 50 0 GKAAMO Cc1ccc(Cl)cc1NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019812464 207163419 /nfs/dbraw/zinc/16/34/19/207163419.db2.gz ZAUIHZXISSKUBM-UHFFFAOYSA-N 1 1 390.914 5.459 50 0 GKAAMO Fc1ccc([C@H]([NH2+]C2CCCCC2)c2nnc(-c3ccccc3Cl)o2)cc1 ZINC000020178291 207182108 /nfs/dbraw/zinc/18/21/08/207182108.db2.gz HSRPOAYNYYFMIW-IBGZPJMESA-N 1 1 385.870 5.541 50 0 GKAAMO Cc1cccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](Cc3ccc(O)c(Cl)c3)C2)c1 ZINC000020271731 207185903 /nfs/dbraw/zinc/18/59/03/207185903.db2.gz MMLJEVDZXPTNKX-SFHVURJKSA-N 1 1 381.907 5.124 50 0 GKAAMO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[N@H+]1CCCC[C@@H]1CCCO ZINC000020352092 207187957 /nfs/dbraw/zinc/18/79/57/207187957.db2.gz UZFWXETYXGFITF-HSZRJFAPSA-N 1 1 390.527 5.444 50 0 GKAAMO Cc1ccccc1C[N@H+]1CCC[C@@H]1c1ccc(C(=O)Nc2ccncc2)s1 ZINC000020481999 207196461 /nfs/dbraw/zinc/19/64/61/207196461.db2.gz IBGBEJNBYOCNGS-LJQANCHMSA-N 1 1 377.513 5.041 50 0 GKAAMO Cc1oc(-c2ccccc2F)nc1C[NH+]1CCC(Oc2cccc(C)c2)CC1 ZINC000020543289 207202764 /nfs/dbraw/zinc/20/27/64/207202764.db2.gz LDQLEUURVBIIPA-UHFFFAOYSA-N 1 1 380.463 5.141 50 0 GKAAMO c1nc(C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)oc1-c1ccccc1 ZINC000023989915 207284521 /nfs/dbraw/zinc/28/45/21/207284521.db2.gz VBLROHOMQQDVHJ-QGZVFWFLSA-N 1 1 375.497 5.331 50 0 GKAAMO Fc1ccc([C@H]([NH2+]CCC2=CCCCC2)c2nnc(-c3ccccc3)o2)cc1 ZINC000020988531 210373154 /nfs/dbraw/zinc/37/31/54/210373154.db2.gz NFJDVGUSCASTNC-NRFANRHFSA-N 1 1 377.463 5.445 50 0 GKAAMO Cc1ccc(C[N@H+]2CCC[C@H](c3nc(C)ncc3-c3ccc(F)cc3)C2)s1 ZINC000020776599 210361883 /nfs/dbraw/zinc/36/18/83/210361883.db2.gz QBWWMUQCYLVMKC-SFHVURJKSA-N 1 1 381.520 5.341 50 0 GKAAMO Fc1ccc(-c2csc(=S)n2C[NH+]2CCC(c3ccccc3)CC2)cc1 ZINC000019933421 210308552 /nfs/dbraw/zinc/30/85/52/210308552.db2.gz ZJLOHKOFOBZEDR-UHFFFAOYSA-N 1 1 384.545 5.922 50 0 GKAAMO Cc1sc(NC(=O)c2ccccc2)c(C[N@H+]2CCc3ccccc3C2)c1C ZINC000019880171 210304609 /nfs/dbraw/zinc/30/46/09/210304609.db2.gz XLBLMFRZEKEWLD-UHFFFAOYSA-N 1 1 376.525 5.176 50 0 GKAAMO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCC[C@H](COc2ccccc2F)C1 ZINC000019791348 210295615 /nfs/dbraw/zinc/29/56/15/210295615.db2.gz CYERHLGACCRSJA-INIZCTEOSA-N 1 1 386.492 5.142 50 0 GKAAMO Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@H](COc2ccccc2F)C1 ZINC000019791348 210295621 /nfs/dbraw/zinc/29/56/21/210295621.db2.gz CYERHLGACCRSJA-INIZCTEOSA-N 1 1 386.492 5.142 50 0 GKAAMO Cc1oc(-c2cccc3ccccc32)nc1C[N@@H+]1CCCC[C@@H]1c1ccccn1 ZINC000019773311 210295475 /nfs/dbraw/zinc/29/54/75/210295475.db2.gz NFXXUMPPIDATDW-XMMPIXPASA-N 1 1 383.495 5.925 50 0 GKAAMO Cc1oc(-c2cccc3ccccc32)nc1C[N@H+]1CCCC[C@@H]1c1ccccn1 ZINC000019773311 210295478 /nfs/dbraw/zinc/29/54/78/210295478.db2.gz NFXXUMPPIDATDW-XMMPIXPASA-N 1 1 383.495 5.925 50 0 GKAAMO C[C@@H]1[C@H]2CC[C@H](C)C[N@H+]2[C@@H]2C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]21 ZINC000253614923 209044193 /nfs/dbraw/zinc/04/41/93/209044193.db2.gz JVKYZPBMZPJNAJ-QICRCJNVSA-N 1 1 397.647 5.655 50 0 GKAAMO Cc1nc2cc(Nc3nc(C[NH+]4CCCC4)nc4sc(C)c(C)c43)ccc2o1 ZINC000008163641 221029455 /nfs/dbraw/zinc/02/94/55/221029455.db2.gz DQTASBRDUYFJEW-UHFFFAOYSA-N 1 1 393.516 5.097 50 0 GKAAMO Clc1ccc(OCCC[N@H+]2CCCC[C@@H]2c2cccnc2)c2ccccc12 ZINC000008742590 221054357 /nfs/dbraw/zinc/05/43/57/221054357.db2.gz LBPIAAWOVWKQMR-JOCHJYFZSA-N 1 1 380.919 5.884 50 0 biogenic GKAAMO CC(C)n1cc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)cn1 ZINC000011813638 221125976 /nfs/dbraw/zinc/12/59/76/221125976.db2.gz WCAYVWTXCIEJMQ-DEOSSOPVSA-N 1 1 387.527 5.226 50 0 GKAAMO CC(C)n1cc(C[N@H+]2CCC[C@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)cn1 ZINC000011813638 221125980 /nfs/dbraw/zinc/12/59/80/221125980.db2.gz WCAYVWTXCIEJMQ-DEOSSOPVSA-N 1 1 387.527 5.226 50 0 GKAAMO Cc1cc(C[N@@H+](C)Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)on1 ZINC000011817599 221127152 /nfs/dbraw/zinc/12/71/52/221127152.db2.gz LPMPAYLCZALJOG-UHFFFAOYSA-N 1 1 386.499 5.085 50 0 GKAAMO Cc1cc(C[N@H+](C)Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)on1 ZINC000011817599 221127154 /nfs/dbraw/zinc/12/71/54/221127154.db2.gz LPMPAYLCZALJOG-UHFFFAOYSA-N 1 1 386.499 5.085 50 0 GKAAMO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1C[N@H+]1CCCC[C@@H]1CCO ZINC000012074939 221147878 /nfs/dbraw/zinc/14/78/78/221147878.db2.gz LWHQXRFFXIAGDE-HXUWFJFHSA-N 1 1 392.499 5.179 50 0 GKAAMO Oc1cc(-c2nc3ccccc3s2)cc2c1OCC[N@@H+](C[C@@H]1CC=CCC1)C2 ZINC000012209445 221167683 /nfs/dbraw/zinc/16/76/83/221167683.db2.gz KXGOHKLMTDUCGL-MRXNPFEDSA-N 1 1 392.524 5.220 50 0 GKAAMO COc1cc(C)c(-c2nc(C[N@@H+](CC3CCC3)C[C@H]3CCCO3)c(C)o2)cc1C ZINC000012443264 221195392 /nfs/dbraw/zinc/19/53/92/221195392.db2.gz SZQCXHMQSHLBGG-HXUWFJFHSA-N 1 1 398.547 5.057 50 0 GKAAMO Cc1oc(-c2ccc3ccccc3c2)nc1C[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000012448730 221196877 /nfs/dbraw/zinc/19/68/77/221196877.db2.gz YCVMEIBZXFXLGX-XMMPIXPASA-N 1 1 383.495 5.925 50 0 GKAAMO Cc1oc(-c2ccc3ccccc3c2)nc1C[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000012448730 221196879 /nfs/dbraw/zinc/19/68/79/221196879.db2.gz YCVMEIBZXFXLGX-XMMPIXPASA-N 1 1 383.495 5.925 50 0 GKAAMO Cc1cccc(C(C)C)c1NC(=O)C[N@H+](C)Cc1ccccc1N1CCCCC1 ZINC000012555730 221206904 /nfs/dbraw/zinc/20/69/04/221206904.db2.gz UPNZOTAJUGSOEJ-UHFFFAOYSA-N 1 1 393.575 5.179 50 0 GKAAMO Cc1cccc(C(C)C)c1NC(=O)C[N@@H+](C)Cc1ccccc1N1CCCCC1 ZINC000012555730 221206906 /nfs/dbraw/zinc/20/69/06/221206906.db2.gz UPNZOTAJUGSOEJ-UHFFFAOYSA-N 1 1 393.575 5.179 50 0 GKAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000012856808 221238473 /nfs/dbraw/zinc/23/84/73/221238473.db2.gz QDQVYMCVPNDTTF-QFIPXVFZSA-N 1 1 380.532 5.176 50 0 GKAAMO Cc1ncc(-c2ccc(F)cc2)c([C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)n1 ZINC000014882699 221317551 /nfs/dbraw/zinc/31/75/51/221317551.db2.gz AJQUHCRQQZGNIS-LJQANCHMSA-N 1 1 379.454 5.110 50 0 GKAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@H+](C3CCCCC3)C2)cc1 ZINC000015075757 221332017 /nfs/dbraw/zinc/33/20/17/221332017.db2.gz VETFXSZOAQDQLO-FQEVSTJZSA-N 1 1 392.543 5.345 50 0 GKAAMO CSc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(F)cc3)C2)cc1 ZINC000015003820 221326636 /nfs/dbraw/zinc/32/66/36/221326636.db2.gz RZYVGFWEPYTLIZ-SFHVURJKSA-N 1 1 381.520 5.317 50 0 GKAAMO CCc1c(C)sc2c1CC[N@@H+](Cc1cccc(Cl)c1)[C@H]2c1ccccc1 ZINC000015864894 221350431 /nfs/dbraw/zinc/35/04/31/221350431.db2.gz XAOMAKOYSGFEKV-QFIPXVFZSA-N 1 1 381.972 6.420 50 0 GKAAMO Brc1cc(C[NH+]2CCCCC2)c2c(c1)CO[C@@H](c1ccccc1)O2 ZINC000016698998 221369745 /nfs/dbraw/zinc/36/97/45/221369745.db2.gz KWKGDURPGKBQNU-HXUWFJFHSA-N 1 1 388.305 5.043 50 0 GKAAMO CCc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccc(OC)cc2OC)cc1 ZINC000036348069 221851528 /nfs/dbraw/zinc/85/15/28/221851528.db2.gz CEMQEHJBQCWLLS-RUZDIDTESA-N 1 1 390.527 5.063 50 0 GKAAMO CCCCc1ncc(C[NH2+][C@@H](C)c2cnn(-c3cccc4ccccc43)c2C)[nH]1 ZINC000055182586 222016558 /nfs/dbraw/zinc/01/65/58/222016558.db2.gz LRPVEPDPDSOSRE-KRWDZBQOSA-N 1 1 387.531 5.250 50 0 GKAAMO COc1cc(-c2ccccc2C)cc2c1OCC[N@H+](Cc1ccc(C)s1)C2 ZINC000055310529 222021255 /nfs/dbraw/zinc/02/12/55/222021255.db2.gz GMTXHMQTFKWQEM-UHFFFAOYSA-N 1 1 379.525 5.435 50 0 GKAAMO COc1cc(-c2ccccc2C)cc2c1OCC[N@@H+](Cc1ccc(C)s1)C2 ZINC000055310529 222021260 /nfs/dbraw/zinc/02/12/60/222021260.db2.gz GMTXHMQTFKWQEM-UHFFFAOYSA-N 1 1 379.525 5.435 50 0 GKAAMO CCNc1nc(Nc2ccc(NC(=O)c3c(F)cccc3Cl)cc2)cc(C)[nH+]1 ZINC000064800773 222082007 /nfs/dbraw/zinc/08/20/07/222082007.db2.gz BOHLAJCRAWENCC-UHFFFAOYSA-N 1 1 399.857 5.005 50 0 GKAAMO Cc1cc(C)c(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c(C)c1 ZINC000072280563 222218160 /nfs/dbraw/zinc/21/81/60/222218160.db2.gz DZDKASNOADFFLJ-QGZVFWFLSA-N 1 1 379.548 5.165 50 0 GKAAMO CC(C)c1[nH+]ccn1CC1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1 ZINC000085436358 222323160 /nfs/dbraw/zinc/32/31/60/222323160.db2.gz ZNMFOUFFPFAJIP-UHFFFAOYSA-N 1 1 382.552 5.248 50 0 GKAAMO Cc1ccc(C)c(NC(=O)[C@@H]([NH2+][C@H]2CCCc3ccccc32)c2ccccc2)c1 ZINC000006086220 570210275 /nfs/dbraw/zinc/21/02/75/570210275.db2.gz QVUCQRRTJLTYFT-ZCYQVOJMSA-N 1 1 384.523 5.650 50 0 GKAAMO FC(F)(F)Oc1ccc([C@@H]2c3ccsc3CC[N@H+]2Cc2ccccn2)cc1 ZINC000019835156 570223831 /nfs/dbraw/zinc/22/38/31/570223831.db2.gz ANSDVXNZZFSGFO-LJQANCHMSA-N 1 1 390.430 5.189 50 0 GKAAMO FC(F)(F)Oc1ccc([C@@H]2c3ccsc3CC[N@@H+]2Cc2ccccn2)cc1 ZINC000019835156 570223833 /nfs/dbraw/zinc/22/38/33/570223833.db2.gz ANSDVXNZZFSGFO-LJQANCHMSA-N 1 1 390.430 5.189 50 0 GKAAMO C[C@H]([NH2+][C@@H](C)c1ccccc1F)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000048261106 570224405 /nfs/dbraw/zinc/22/44/05/570224405.db2.gz XJRNEXXOMFLGLA-QWRGUYRKSA-N 1 1 388.792 5.176 50 0 GKAAMO C[C@@H]([NH2+][C@@H](C)c1ccccc1F)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000048261110 570224454 /nfs/dbraw/zinc/22/44/54/570224454.db2.gz XJRNEXXOMFLGLA-WDEREUQCSA-N 1 1 388.792 5.176 50 0 GKAAMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1F ZINC000048261108 570224526 /nfs/dbraw/zinc/22/45/26/570224526.db2.gz XJRNEXXOMFLGLA-MNOVXSKESA-N 1 1 388.792 5.176 50 0 GKAAMO COc1ccc([C@H]2CCC[N@@H+]2Cc2coc(-c3ccc(Cl)cc3)n2)cc1OC ZINC000048276331 570230139 /nfs/dbraw/zinc/23/01/39/570230139.db2.gz VSJGPSYEGYKVHV-LJQANCHMSA-N 1 1 398.890 5.349 50 0 GKAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2coc(-c3ccc(Cl)cc3)n2)cc1OC ZINC000048276331 570230144 /nfs/dbraw/zinc/23/01/44/570230144.db2.gz VSJGPSYEGYKVHV-LJQANCHMSA-N 1 1 398.890 5.349 50 0 GKAAMO FC(F)(F)c1ccc(-c2noc(C[N@H+](Cc3ccco3)C3CCCC3)n2)cc1 ZINC000048313645 570236989 /nfs/dbraw/zinc/23/69/89/570236989.db2.gz OSJNZWPJGTVIKL-UHFFFAOYSA-N 1 1 391.393 5.293 50 0 GKAAMO FC(F)(F)c1ccc(-c2noc(C[N@@H+](Cc3ccco3)C3CCCC3)n2)cc1 ZINC000048313645 570236992 /nfs/dbraw/zinc/23/69/92/570236992.db2.gz OSJNZWPJGTVIKL-UHFFFAOYSA-N 1 1 391.393 5.293 50 0 GKAAMO C[C@@H]([NH2+]Cc1nc2ccc(Cl)cc2c(=O)[nH]1)c1ccc(-c2ccccc2)cc1 ZINC000049580932 570271091 /nfs/dbraw/zinc/27/10/91/570271091.db2.gz BKWDFMXIEJIXNL-OAHLLOKOSA-N 1 1 389.886 5.094 50 0 GKAAMO CC[NH+](CC)c1ccc(Nc2nc(-c3cccc(C)c3)nc3ccccc32)c(C)c1 ZINC000006720554 570281182 /nfs/dbraw/zinc/28/11/82/570281182.db2.gz FLIDKWYZVNRTCR-UHFFFAOYSA-N 1 1 396.538 6.503 50 0 GKAAMO Fc1ccc(C(CCCN2CC[N@H+]3CCCC[C@H]3C2)c2ccc(F)cc2)cc1 ZINC000022032951 570302756 /nfs/dbraw/zinc/30/27/56/570302756.db2.gz BDBNCAYIESYZJS-QHCPKHFHSA-N 1 1 384.514 5.047 50 0 GKAAMO Fc1ccc(C(CCC[N@@H+]2CCN3CCCC[C@H]3C2)c2ccc(F)cc2)cc1 ZINC000022032951 570302758 /nfs/dbraw/zinc/30/27/58/570302758.db2.gz BDBNCAYIESYZJS-QHCPKHFHSA-N 1 1 384.514 5.047 50 0 GKAAMO Fc1ccc(C(CCC[N@H+]2CCN3CCCC[C@H]3C2)c2ccc(F)cc2)cc1 ZINC000022032951 570302760 /nfs/dbraw/zinc/30/27/60/570302760.db2.gz BDBNCAYIESYZJS-QHCPKHFHSA-N 1 1 384.514 5.047 50 0 GKAAMO c1csc([C@@H]([NH2+]Cc2nc3ccccc3s2)c2ccc3c(c2)CCC3)c1 ZINC000012936816 570312231 /nfs/dbraw/zinc/31/22/31/570312231.db2.gz QOXYQXAWTHUAPQ-QFIPXVFZSA-N 1 1 376.550 5.726 50 0 GKAAMO c1ccc(Oc2cccc(CN3CC[N@H+]4CCC[C@H]4[C@@H]3C3CCCCC3)c2)cc1 ZINC000584904408 570319290 /nfs/dbraw/zinc/31/92/90/570319290.db2.gz ICFIGWARIJACRJ-UIOOFZCWSA-N 1 1 390.571 5.708 50 0 GKAAMO Cc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)CCC3CCCC3)CC2)cc1 ZINC000022623060 570323953 /nfs/dbraw/zinc/32/39/53/570323953.db2.gz AINVPPAROHMDOP-SANMLTNESA-N 1 1 390.571 5.199 50 0 GKAAMO C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000035361570 570344769 /nfs/dbraw/zinc/34/47/69/570344769.db2.gz GSALKRWPFKYOEM-KGLIPLIRSA-N 1 1 396.541 5.348 50 0 GKAAMO OC(c1ccccc1)(c1ccccc1)[C@@H]1CC[N@H+]2C[C@@H](c3ccccc3)C[C@@H]2C1 ZINC000004851654 570347083 /nfs/dbraw/zinc/34/70/83/570347083.db2.gz XSLGPTMCZRXAJH-HDYLNDSGSA-N 1 1 383.535 5.191 50 0 GKAAMO OC(c1ccccc1)(c1ccccc1)[C@@H]1CC[N@H+]2C[C@H](c3ccccc3)C[C@@H]2C1 ZINC000004851650 570347297 /nfs/dbraw/zinc/34/72/97/570347297.db2.gz 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O=c1[nH]c(C[N@@H+](Cc2ccc(F)cc2)C2CCCCC2)nc2cc(Cl)ccc12 ZINC000023763631 570371971 /nfs/dbraw/zinc/37/19/71/570371971.db2.gz PKMCESTYXPQKIB-UHFFFAOYSA-N 1 1 399.897 5.051 50 0 GKAAMO O=c1[nH]c(C[N@H+](Cc2ccc(F)cc2)C2CCCCC2)nc2cc(Cl)ccc12 ZINC000023763631 570371973 /nfs/dbraw/zinc/37/19/73/570371973.db2.gz PKMCESTYXPQKIB-UHFFFAOYSA-N 1 1 399.897 5.051 50 0 GKAAMO CCOC(=O)CC1=CC(SCc2ccc(C)cc2C)=[NH+]c2ccccc2N1 ZINC000035480712 570372598 /nfs/dbraw/zinc/37/25/98/570372598.db2.gz LYVQZIMYGGWCBZ-UHFFFAOYSA-N 1 1 380.513 5.529 50 0 GKAAMO c1nc(C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)oc1-c1ccccc1 ZINC000023989916 570376291 /nfs/dbraw/zinc/37/62/91/570376291.db2.gz VBLROHOMQQDVHJ-KRWDZBQOSA-N 1 1 375.497 5.331 50 0 GKAAMO C[N@@H+](Cc1ccccc1NC(=O)c1ccc2ncsc2c1)C1CCCCC1 ZINC000024776525 570393041 /nfs/dbraw/zinc/39/30/41/570393041.db2.gz FHOZUQXAAZPUOM-UHFFFAOYSA-N 1 1 379.529 5.313 50 0 GKAAMO CCCCc1ccc(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)cc1 ZINC000004783874 570405395 /nfs/dbraw/zinc/40/53/95/570405395.db2.gz KGRCYCAXQGOMMZ-UHFFFAOYSA-N 1 1 386.539 5.670 50 0 GKAAMO CC[C@@H](C)[N@@H+](CCNC(=O)c1csc2c1CCCCC2)C1CCCCC1 ZINC000005070485 570411269 /nfs/dbraw/zinc/41/12/69/570411269.db2.gz SVYDKBJCWDTFCQ-QGZVFWFLSA-N 1 1 376.610 5.180 50 0 GKAAMO CCCC[N@@H+](CCCNC(=O)c1csc2c1CCCCC2)Cc1ccccc1 ZINC000005070470 570411281 /nfs/dbraw/zinc/41/12/81/570411281.db2.gz OIOKKJYRFMURDZ-UHFFFAOYSA-N 1 1 398.616 5.439 50 0 GKAAMO C[N@@H+](C[C@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C1CCCCC1 ZINC000004845025 570411750 /nfs/dbraw/zinc/41/17/50/570411750.db2.gz UESXOBVFCVOXTG-KENPWYROSA-N 1 1 397.603 5.159 50 0 GKAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000025414945 570413129 /nfs/dbraw/zinc/41/31/29/570413129.db2.gz MOILVZQKHZLEJV-DEOSSOPVSA-N 1 1 386.495 5.138 50 0 GKAAMO COc1ccccc1Oc1c(F)c(F)c(/C=C/C[NH+]2CCCCC2)c(F)c1F ZINC000005013635 570423805 /nfs/dbraw/zinc/42/38/05/570423805.db2.gz KUBWAKOOWXPAKK-BQYQJAHWSA-N 1 1 395.396 5.543 50 0 GKAAMO Cc1ccc2c(c1)c1c3n2CCC[N@@H+](Cc2ccc4ccccc4c2)[C@H]3CCC1 ZINC000005032485 570425250 /nfs/dbraw/zinc/42/52/50/570425250.db2.gz SBUWIXOOCSFQCW-SANMLTNESA-N 1 1 380.535 6.386 50 0 GKAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000011011290 570431529 /nfs/dbraw/zinc/43/15/29/570431529.db2.gz WKBVKTAHWHLSCW-DEOSSOPVSA-N 1 1 386.495 5.285 50 0 GKAAMO Cc1ccccc1C[N@@H+](Cc1cccn1Cc1ccccc1F)Cc1ccccc1 ZINC000035841041 570463183 /nfs/dbraw/zinc/46/31/83/570463183.db2.gz BGJHAFGMEWFNTM-UHFFFAOYSA-N 1 1 398.525 6.186 50 0 GKAAMO Fc1cccc(C[N@@H+](Cc2cccn2Cc2ccccc2F)C2CCCCC2)c1 ZINC000035841039 570463426 /nfs/dbraw/zinc/46/34/26/570463426.db2.gz OLDGUSCBHYODFC-UHFFFAOYSA-N 1 1 394.509 6.150 50 0 GKAAMO COc1cccc(Cn2cccc2C[N@@H+](CCC(C)C)Cc2ccccc2C)c1 ZINC000035841123 570463737 /nfs/dbraw/zinc/46/37/37/570463737.db2.gz KMXNZWIOTCAQEY-UHFFFAOYSA-N 1 1 390.571 5.902 50 0 GKAAMO C[N@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CCc2ccccc21 ZINC000029482766 570474876 /nfs/dbraw/zinc/47/48/76/570474876.db2.gz KEIDOFDUDVQIRM-MRXNPFEDSA-N 1 1 383.706 5.205 50 0 GKAAMO C[N@@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CCc2ccccc21 ZINC000029482766 570474880 /nfs/dbraw/zinc/47/48/80/570474880.db2.gz KEIDOFDUDVQIRM-MRXNPFEDSA-N 1 1 383.706 5.205 50 0 GKAAMO COc1cc(C[NH2+]Cc2ccco2)cc(Cl)c1OCc1ccccc1Cl ZINC000007523683 570507076 /nfs/dbraw/zinc/50/70/76/570507076.db2.gz BNKZOXKKDLWCDE-UHFFFAOYSA-N 1 1 392.282 5.464 50 0 GKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCCCCC2)cc1 ZINC000002714371 570509330 /nfs/dbraw/zinc/50/93/30/570509330.db2.gz YVGMEPNBGFBKPQ-UHFFFAOYSA-N 1 1 382.511 5.776 50 0 GKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2C[C@@H](C)C[C@H](C)C2)c1 ZINC000002714943 570509621 /nfs/dbraw/zinc/50/96/21/570509621.db2.gz KCDNSSDFCKCKAT-PMACEKPBSA-N 1 1 396.538 5.878 50 0 GKAAMO C[N@H+]1CCC[C@H](COC(=O)c2cccs2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000078822780 570509696 /nfs/dbraw/zinc/50/96/96/570509696.db2.gz DCXDMCARLIRQIN-PBHICJAKSA-N 1 1 383.435 5.007 50 0 GKAAMO C[N@H+]1CCC[C@H](COC(=O)c2ccccc2F)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000078822727 570509820 /nfs/dbraw/zinc/50/98/20/570509820.db2.gz WSPOOGDTPZVEJW-BEFAXECRSA-N 1 1 395.396 5.084 50 0 GKAAMO COc1ccc(C[N@H+]2CCCCC[C@H]2c2ccc(Cl)cc2)c(OC)c1OC ZINC000033087127 570519679 /nfs/dbraw/zinc/51/96/79/570519679.db2.gz HRERUZFXZLCRMU-IBGZPJMESA-N 1 1 389.923 5.483 50 0 GKAAMO COc1ccc(C[N@H+]2CCCCC[C@H]2c2ccc(C)s2)c(OC)c1OC ZINC000033087133 570519819 /nfs/dbraw/zinc/51/98/19/570519819.db2.gz BLAFDTIQJUWGBS-KRWDZBQOSA-N 1 1 375.534 5.200 50 0 GKAAMO Fc1ccc(-c2n[nH]cc2C[N@@H+](CCc2ccccc2)Cc2ccccc2)cc1 ZINC000036127260 570545955 /nfs/dbraw/zinc/54/59/55/570545955.db2.gz YMYRQGLUQOUDEK-UHFFFAOYSA-N 1 1 385.486 5.461 50 0 GKAAMO CCCC(O)(CCC)c1ccc(C[N@H+](Cc2ccccc2C)C[C@H]2CCCO2)o1 ZINC000036203224 570568564 /nfs/dbraw/zinc/56/85/64/570568564.db2.gz KFKINKIBUOZBCC-JOCHJYFZSA-N 1 1 399.575 5.557 50 0 GKAAMO COc1cccc([C@H]2CCC[N@H+]2Cc2nc(-c3ccc(OC)c(C)c3)oc2C)c1 ZINC000011753647 570581043 /nfs/dbraw/zinc/58/10/43/570581043.db2.gz NBPIAADRCYJRJA-JOCHJYFZSA-N 1 1 392.499 5.313 50 0 GKAAMO CCOc1ccc(-c2nc(C[N@H+](C)[C@H](C)c3cccc(OC)c3)c(C)o2)cc1 ZINC000011815760 570584025 /nfs/dbraw/zinc/58/40/25/570584025.db2.gz MJYGSRPOMVJXQN-MRXNPFEDSA-N 1 1 380.488 5.250 50 0 GKAAMO CCOc1ccc(-c2nc(C[N@@H+](C)[C@H](C)c3cccc(OC)c3)c(C)o2)cc1 ZINC000011815760 570584028 /nfs/dbraw/zinc/58/40/28/570584028.db2.gz MJYGSRPOMVJXQN-MRXNPFEDSA-N 1 1 380.488 5.250 50 0 GKAAMO Cc1ccccc1-c1cccc(C[N@H+]2CCC[C@@H](CCC(=O)N3CCCC3)C2)c1 ZINC000011880095 570591600 /nfs/dbraw/zinc/59/16/00/570591600.db2.gz GHWQLZZSSGYMQX-QFIPXVFZSA-N 1 1 390.571 5.277 50 0 GKAAMO CC[C@H](C)NC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000169677957 570599750 /nfs/dbraw/zinc/59/97/50/570599750.db2.gz VVJMFUZZRXYGJP-WEYGHZABSA-N 1 1 384.951 5.208 50 0 GKAAMO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1C[N@H+](C)C1CCOCC1 ZINC000012056640 570602407 /nfs/dbraw/zinc/60/24/07/570602407.db2.gz JAYZXUSBPCTLMJ-UHFFFAOYSA-N 1 1 378.472 5.053 50 0 GKAAMO C=C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1[C@H](C)c1ccc(CC(C)C)cc1 ZINC000005462118 570602480 /nfs/dbraw/zinc/60/24/80/570602480.db2.gz AQAGPBXWLXHMCE-CJAUYULYSA-N 1 1 379.544 5.749 50 0 GKAAMO Cc1cccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000036347367 570628837 /nfs/dbraw/zinc/62/88/37/570628837.db2.gz OEZXXYLOFCVQJO-JOCHJYFZSA-N 1 1 384.445 5.811 50 0 GKAAMO CC(C)(C)c1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccccc2F)cc1 ZINC000036347833 570630216 /nfs/dbraw/zinc/63/02/16/570630216.db2.gz HDZWNJFHYLRPNQ-DEOSSOPVSA-N 1 1 376.519 5.920 50 0 GKAAMO CCOc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(OCC)cc2)cc1 ZINC000036347744 570630331 /nfs/dbraw/zinc/63/03/31/570630331.db2.gz VPERQPWXAKWMGP-RUZDIDTESA-N 1 1 390.527 5.281 50 0 GKAAMO CC(C)c1csc(C[NH2+][C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)n1 ZINC000012314225 570640395 /nfs/dbraw/zinc/64/03/95/570640395.db2.gz FCMUMQWFRIPPAN-SFHVURJKSA-N 1 1 398.551 5.395 50 0 GKAAMO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2C/C=C/c2ccccc2)cc1 ZINC000006845991 570646284 /nfs/dbraw/zinc/64/62/84/570646284.db2.gz ZQETVXUYNZWBDD-MSNXNEKQSA-N 1 1 377.528 5.077 50 0 biogenic GKAAMO COc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CC[N@H+]1C/C=C/c1ccccc1 ZINC000006849659 570647608 /nfs/dbraw/zinc/64/76/08/570647608.db2.gz CSALCCKLWJOGTI-BWUIKELBSA-N 1 1 377.528 5.077 50 0 biogenic GKAAMO COc1ccc2cc(-c3n[nH]cc3C[N@H+]3CCCC[C@@H]3c3ccccn3)ccc2c1 ZINC000012430312 570658693 /nfs/dbraw/zinc/65/86/93/570658693.db2.gz CMJLYRSPJYHRDQ-XMMPIXPASA-N 1 1 398.510 5.361 50 0 GKAAMO CN(Cc1ccccc1)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000006871596 570664119 /nfs/dbraw/zinc/66/41/19/570664119.db2.gz HWUPDCSRUKOKRR-UHFFFAOYSA-N 1 1 390.490 5.724 50 0 GKAAMO CSc1ccccc1C(=O)[C@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000012448052 570667400 /nfs/dbraw/zinc/66/74/00/570667400.db2.gz CSXGMAPSJDKGQF-IBGZPJMESA-N 1 1 376.525 5.052 50 0 GKAAMO O=C(CCC[N@H+]1CCc2ccccc2[C@@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC000006885592 570679659 /nfs/dbraw/zinc/67/96/59/570679659.db2.gz BCELXGVOPNQNAC-RUZDIDTESA-N 1 1 387.498 5.479 50 0 GKAAMO COc1cc(-c2nc(C[N@@H+](C)[C@@H]3CCCc4ccccc43)c(C)o2)ccc1F ZINC000012572350 570681310 /nfs/dbraw/zinc/68/13/10/570681310.db2.gz RQZLXAYTIZQVDZ-OAQYLSRUSA-N 1 1 380.463 5.307 50 0 GKAAMO COc1ccc([C@H](C)[N@H+](C)Cc2nc(-c3cc(C)c(OC)cc3C)oc2C)cc1 ZINC000012583713 570684640 /nfs/dbraw/zinc/68/46/40/570684640.db2.gz MTWVVMWVYZGCGN-KRWDZBQOSA-N 1 1 394.515 5.477 50 0 GKAAMO COc1ccc([C@H](C)[N@@H+](C)Cc2nc(-c3cc(C)c(OC)cc3C)oc2C)cc1 ZINC000012583713 570684643 /nfs/dbraw/zinc/68/46/43/570684643.db2.gz MTWVVMWVYZGCGN-KRWDZBQOSA-N 1 1 394.515 5.477 50 0 GKAAMO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H](COc4ccccc4C)C3)c(C)o2)o1 ZINC000012709740 570702278 /nfs/dbraw/zinc/70/22/78/570702278.db2.gz JVCWWAMDDGVJOH-IBGZPJMESA-N 1 1 380.488 5.151 50 0 GKAAMO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H](COc4ccccc4C)C3)c(C)o2)o1 ZINC000012709740 570702282 /nfs/dbraw/zinc/70/22/82/570702282.db2.gz JVCWWAMDDGVJOH-IBGZPJMESA-N 1 1 380.488 5.151 50 0 GKAAMO COCC[C@@H]1CCCC[N@H+]1Cc1nc(-c2cccc(C(F)(F)F)c2)oc1C ZINC000012711733 570702488 /nfs/dbraw/zinc/70/24/88/570702488.db2.gz TUJQLMIDJXOYAJ-KRWDZBQOSA-N 1 1 382.426 5.060 50 0 GKAAMO C[C@@H]1CCC[N@H+]([C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)C1 ZINC000013039154 570743244 /nfs/dbraw/zinc/74/32/44/570743244.db2.gz XLHQGNYHSBLDPS-AUUYWEPGSA-N 1 1 377.315 5.405 50 0 GKAAMO Cc1[nH+]ccn1CCCn1cnc(-c2ccccc2)c1-c1cccc2cnccc21 ZINC000065503392 570771235 /nfs/dbraw/zinc/77/12/35/570771235.db2.gz UIWLFEDACDAQJO-UHFFFAOYSA-N 1 1 393.494 5.361 50 0 GKAAMO COc1ccc2cc(C(=O)Nc3ccccc3C[N@@H+](C)C3CCCCC3)[nH]c2c1 ZINC000032760638 570795553 /nfs/dbraw/zinc/79/55/53/570795553.db2.gz HYUZVXVXVWWQAB-UHFFFAOYSA-N 1 1 391.515 5.193 50 0 GKAAMO CCOc1cc2c[nH+]c(Nc3ccc(Br)cc3)cc2cc1OCC ZINC000004676733 570822813 /nfs/dbraw/zinc/82/28/13/570822813.db2.gz CIUXTKRAINOPET-UHFFFAOYSA-N 1 1 387.277 5.538 50 0 GKAAMO Cc1cccc(Cn2cccc2C[N@@H+](Cc2cc(F)ccc2F)[C@H](C)C(C)C)c1 ZINC000004507106 570823432 /nfs/dbraw/zinc/82/34/32/570823432.db2.gz FRWGCJXUAGWCPG-HXUWFJFHSA-N 1 1 396.525 6.170 50 0 GKAAMO O=C(Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2)Nc1ccccc1Cl ZINC000033140074 570826360 /nfs/dbraw/zinc/82/63/60/570826360.db2.gz OOKKDRZFCGOGSE-UHFFFAOYSA-N 1 1 377.875 5.500 50 0 GKAAMO O=C(Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2)Nc1ccccc1Cl ZINC000033140074 570826362 /nfs/dbraw/zinc/82/63/62/570826362.db2.gz OOKKDRZFCGOGSE-UHFFFAOYSA-N 1 1 377.875 5.500 50 0 GKAAMO Cc1ccc(Cl)cc1NC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC000033140089 570826388 /nfs/dbraw/zinc/82/63/88/570826388.db2.gz HMDLMDSIGUXAFD-UHFFFAOYSA-N 1 1 391.902 5.808 50 0 GKAAMO Cc1ccc(Cl)cc1NC(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC000033140089 570826390 /nfs/dbraw/zinc/82/63/90/570826390.db2.gz HMDLMDSIGUXAFD-UHFFFAOYSA-N 1 1 391.902 5.808 50 0 GKAAMO CCOc1ccc(NC(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)cc1 ZINC000033140093 570826395 /nfs/dbraw/zinc/82/63/95/570826395.db2.gz BNOXQNWWSBCYHZ-UHFFFAOYSA-N 1 1 387.483 5.245 50 0 GKAAMO CCOc1ccc(NC(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)cc1 ZINC000033140093 570826397 /nfs/dbraw/zinc/82/63/97/570826397.db2.gz BNOXQNWWSBCYHZ-UHFFFAOYSA-N 1 1 387.483 5.245 50 0 GKAAMO C[C@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)Nc1c(Cl)cccc1Cl ZINC000012530960 570833706 /nfs/dbraw/zinc/83/37/06/570833706.db2.gz IRRBMGDNGTZRDM-AWEZNQCLSA-N 1 1 392.330 5.423 50 0 GKAAMO C[C@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1cccc(Cl)c1 ZINC000007487903 570850952 /nfs/dbraw/zinc/85/09/52/570850952.db2.gz LRIGQLPHNKPIQM-ZDUSSCGKSA-N 1 1 395.915 5.156 50 0 GKAAMO CCc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000003397982 570864162 /nfs/dbraw/zinc/86/41/62/570864162.db2.gz BKRHWNPVKKZHLQ-GFCCVEGCSA-N 1 1 399.749 5.668 50 0 GKAAMO CCc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000003397982 570864165 /nfs/dbraw/zinc/86/41/65/570864165.db2.gz BKRHWNPVKKZHLQ-GFCCVEGCSA-N 1 1 399.749 5.668 50 0 GKAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](c4ccccc4)C3)c(C)o2)cc1OC ZINC000015072686 570877823 /nfs/dbraw/zinc/87/78/23/570877823.db2.gz KBUOETHZDPGIJY-HXUWFJFHSA-N 1 1 392.499 5.047 50 0 GKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc4ccccc42)N3)C1 ZINC000004554054 570880687 /nfs/dbraw/zinc/88/06/87/570880687.db2.gz PBWSVEWLPPFWDO-FQEVSTJZSA-N 1 1 377.513 5.097 50 0 GKAAMO Cn1cc(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)c2ccccc21 ZINC000032900671 570894920 /nfs/dbraw/zinc/89/49/20/570894920.db2.gz AGPGUOOAQZOSQZ-UHFFFAOYSA-N 1 1 375.516 5.195 50 0 GKAAMO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)c(Cl)c1 ZINC000013322871 570895122 /nfs/dbraw/zinc/89/51/22/570895122.db2.gz CNMYTAKFQMGURL-UHFFFAOYSA-N 1 1 399.966 5.296 50 0 GKAAMO Cc1[nH]c2ccc(C(=O)Nc3ccccc3C[N@H+](C)C3CCCCC3)cc2c1C ZINC000032904221 570902045 /nfs/dbraw/zinc/90/20/45/570902045.db2.gz QAEDCTLXQUCPFE-UHFFFAOYSA-N 1 1 389.543 5.802 50 0 GKAAMO CC[N@@H+](CC[C@@]1(Cc2ccccc2)CCOC(C)(C)C1)Cc1ccc(OC)cc1 ZINC000004025688 570904078 /nfs/dbraw/zinc/90/40/78/570904078.db2.gz LFAXYRWVLVHNNF-SANMLTNESA-N 1 1 395.587 5.725 50 0 biogenic GKAAMO CC[N@@H+](CC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)Cc1ccc(OC)cc1 ZINC000004026964 570907475 /nfs/dbraw/zinc/90/74/75/570907475.db2.gz YKCUWIVBCFMJNZ-NOZRDPDXSA-N 1 1 395.587 5.896 50 0 biogenic GKAAMO C[N@@H+]1C/C(=C/c2ccccc2)C2=NN(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000051330317 570927768 /nfs/dbraw/zinc/92/77/68/570927768.db2.gz GTJXVFHOQFLCHN-QFRRFLDLSA-N 1 1 379.507 5.249 50 0 GKAAMO Cc1cccc(Cn2cccc2C[N@@H+](Cc2ccccc2F)[C@H](C)C(C)C)c1 ZINC000004379066 570964251 /nfs/dbraw/zinc/96/42/51/570964251.db2.gz ITZBEKRIBFDVOD-OAQYLSRUSA-N 1 1 378.535 6.031 50 0 GKAAMO CC(C)(C)CC(C)(C)Nc1c(-c2ccc(Cl)c(Cl)c2)[nH+]c2ccccn21 ZINC000004754081 570965304 /nfs/dbraw/zinc/96/53/04/570965304.db2.gz JBMNNMLOFDPPBS-UHFFFAOYSA-N 1 1 390.358 6.935 50 0 GKAAMO COc1ccccc1/C=C/c1[nH+]c2ccc(Cl)cn2c1NC1CCCCC1 ZINC000004753961 570965817 /nfs/dbraw/zinc/96/58/17/570965817.db2.gz LLEZRIWLGGGMKM-ACCUITESSA-N 1 1 381.907 5.911 50 0 GKAAMO CSc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4s3)C2)cc1 ZINC000019335239 570975921 /nfs/dbraw/zinc/97/59/21/570975921.db2.gz SDFJEQMIPPRAQC-INIZCTEOSA-N 1 1 382.554 5.113 50 0 GKAAMO CSc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4s3)C2)cc1 ZINC000019335239 570975924 /nfs/dbraw/zinc/97/59/24/570975924.db2.gz SDFJEQMIPPRAQC-INIZCTEOSA-N 1 1 382.554 5.113 50 0 GKAAMO CC[N@@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1ccc(OC)c(F)c1 ZINC000007607223 570998553 /nfs/dbraw/zinc/99/85/53/570998553.db2.gz GHBVFNGOBZDTPG-UHFFFAOYSA-N 1 1 392.474 5.109 50 0 GKAAMO C[C@H]1C[NH2+][C@]2(/C=C/c3ccc(Br)cc3)N(C1)c1ccccc1C2(C)C ZINC000004812448 570999001 /nfs/dbraw/zinc/99/90/01/570999001.db2.gz RUNMQOUYFVTXJC-BIMUUASUSA-N 1 1 397.360 5.196 50 0 GKAAMO C(=C/c1ccccc1)\CN1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000019536431 571000443 /nfs/dbraw/zinc/00/04/43/571000443.db2.gz VFNJIMLXPQEYRD-XYOKQWHBSA-N 1 1 384.523 5.310 50 0 GKAAMO C(=C/c1ccccc1)\C[NH+]1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000019536431 571000446 /nfs/dbraw/zinc/00/04/46/571000446.db2.gz VFNJIMLXPQEYRD-XYOKQWHBSA-N 1 1 384.523 5.310 50 0 GKAAMO Cc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000037522450 571023894 /nfs/dbraw/zinc/02/38/94/571023894.db2.gz KLOYTTPJLUSPEM-JOCHJYFZSA-N 1 1 384.445 5.811 50 0 GKAAMO Cc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000037522450 571023896 /nfs/dbraw/zinc/02/38/96/571023896.db2.gz KLOYTTPJLUSPEM-JOCHJYFZSA-N 1 1 384.445 5.811 50 0 GKAAMO COc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(C)c(C)c2)c(OC)c1 ZINC000037523152 571024566 /nfs/dbraw/zinc/02/45/66/571024566.db2.gz TXOHAZKJUYRHBU-VWLOTQADSA-N 1 1 390.527 5.117 50 0 GKAAMO Clc1cccc([C@H]([NH2+]Cc2ccc(Br)cc2)c2ccccn2)c1 ZINC000084609859 571027087 /nfs/dbraw/zinc/02/70/87/571027087.db2.gz PVWFSGOZRNUQAL-IBGZPJMESA-N 1 1 387.708 5.377 50 0 GKAAMO CCCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000037580761 571034447 /nfs/dbraw/zinc/03/44/47/571034447.db2.gz RGXBRZFLLAFTAD-UHFFFAOYSA-N 1 1 386.486 5.071 50 0 GKAAMO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H](C)c1ccccc1Br ZINC000017312629 210210141 /nfs/dbraw/zinc/21/01/41/210210141.db2.gz RKCBLUKJONOPFF-HNNXBMFYSA-N 1 1 398.348 5.162 50 0 GKAAMO CC(C)[C@H]([NH2+]Cc1nc2ccccc2c(=O)[nH]1)c1ccc(C2CCCCC2)cc1 ZINC000016695284 210194266 /nfs/dbraw/zinc/19/42/66/210194266.db2.gz IVCJKLDTKHULQP-DEOSSOPVSA-N 1 1 389.543 5.458 50 0 GKAAMO CCc1c(C)sc2c1CC[N@@H+](Cc1cccc(Cl)c1)[C@@H]2c1ccccc1 ZINC000015864893 210175556 /nfs/dbraw/zinc/17/55/56/210175556.db2.gz XAOMAKOYSGFEKV-JOCHJYFZSA-N 1 1 381.972 6.420 50 0 GKAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1sc2ccccc2c1Cl ZINC000015859873 210174005 /nfs/dbraw/zinc/17/40/05/210174005.db2.gz MKFVQXJFIXUUCP-HNNXBMFYSA-N 1 1 388.920 5.105 50 0 GKAAMO Oc1cc(-c2cccs2)cc2c1OCC[N@H+](Cc1ccc3ccccc3c1)C2 ZINC000014989110 210140621 /nfs/dbraw/zinc/14/06/21/210140621.db2.gz NYWPEQRAHSXGIK-UHFFFAOYSA-N 1 1 387.504 5.669 50 0 GKAAMO Oc1cc(-c2cccs2)cc2c1OCC[N@@H+](Cc1ccc3ccccc3c1)C2 ZINC000014989110 210140629 /nfs/dbraw/zinc/14/06/29/210140629.db2.gz NYWPEQRAHSXGIK-UHFFFAOYSA-N 1 1 387.504 5.669 50 0 GKAAMO COc1ccc(-c2nc(C[N@H+](C)[C@H](C)c3cccs3)c(C)o2)c(OC)c1C ZINC000014970968 210136845 /nfs/dbraw/zinc/13/68/45/210136845.db2.gz QTOCLDNQEHJPSW-CQSZACIVSA-N 1 1 386.517 5.230 50 0 GKAAMO COc1ccc(-c2nc(C[N@@H+](C)[C@H](C)c3cccs3)c(C)o2)c(OC)c1C ZINC000014970968 210136850 /nfs/dbraw/zinc/13/68/50/210136850.db2.gz QTOCLDNQEHJPSW-CQSZACIVSA-N 1 1 386.517 5.230 50 0 GKAAMO CC(=O)c1cccc(NC(=O)[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)c2ccccc2)c1 ZINC000014142222 210104932 /nfs/dbraw/zinc/10/49/32/210104932.db2.gz AYSBFRKBMPFVKP-MWTRTKDXSA-N 1 1 390.458 5.059 50 0 GKAAMO FC(F)(F)c1nc2ccccc2c(Nc2ccc3c(c2)[nH+]c2n3CCCCC2)n1 ZINC000014084464 210101327 /nfs/dbraw/zinc/10/13/27/210101327.db2.gz DUYGLVBSJDNMCI-UHFFFAOYSA-N 1 1 397.404 5.468 50 0 GKAAMO Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1 ZINC000012846824 210017437 /nfs/dbraw/zinc/01/74/37/210017437.db2.gz SUEYNZOTHLELME-HXUWFJFHSA-N 1 1 388.895 5.167 50 0 GKAAMO Cc1ccc(C[N@@H+](C)[C@@H](C)c2nc(=O)c3c(-c4ccco4)csc3[nH]2)c(C)c1 ZINC000012807751 210013287 /nfs/dbraw/zinc/01/32/87/210013287.db2.gz DNOJSQRJKBDKCL-HNNXBMFYSA-N 1 1 393.512 5.054 50 0 GKAAMO Cc1ccc(C[N@H+](C)[C@@H](C)c2nc(=O)c3c(-c4ccco4)csc3[nH]2)c(C)c1 ZINC000012807751 210013292 /nfs/dbraw/zinc/01/32/92/210013292.db2.gz DNOJSQRJKBDKCL-HNNXBMFYSA-N 1 1 393.512 5.054 50 0 GKAAMO COC[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(-c4ccccc4)cc3)oc2C)C1 ZINC000012055162 209901818 /nfs/dbraw/zinc/90/18/18/209901818.db2.gz QSGYHQDBFLOTGH-LJQANCHMSA-N 1 1 376.500 5.175 50 0 GKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCCCCC2)c1 ZINC000002714927 209378117 /nfs/dbraw/zinc/37/81/17/209378117.db2.gz YLVPACVONPPKCM-UHFFFAOYSA-N 1 1 382.511 5.776 50 0 GKAAMO Fc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccccc2)cc1 ZINC000002714003 209377618 /nfs/dbraw/zinc/37/76/18/209377618.db2.gz OFZZKPVPEOVWLS-UHFFFAOYSA-N 1 1 394.453 5.839 50 0 GKAAMO CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CC[N@H+]1C/C=C/c1ccccc1 ZINC000002098922 209346456 /nfs/dbraw/zinc/34/64/56/209346456.db2.gz YHYQZSVKBBWONV-RJNQYJQCSA-N 1 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GKAAMO Cc1cccc(Cn2cccc2C[N@@H+](Cc2cc(F)ccc2F)CC(C)C)c1 ZINC000005096149 204110395 /nfs/dbraw/zinc/11/03/95/204110395.db2.gz HSRRAYAISRRCHU-UHFFFAOYSA-N 1 1 382.498 5.781 50 0 GKAAMO Cc1ccc2c(c1)c1c3n2CCC[N@@H+](Cc2ccc4ccccc4c2)[C@@H]3CCC1 ZINC000005032481 204104913 /nfs/dbraw/zinc/10/49/13/204104913.db2.gz SBUWIXOOCSFQCW-AREMUKBSSA-N 1 1 380.535 6.386 50 0 GKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc2c(s1)-c1c(C)cccc1OC2 ZINC000005048726 204107328 /nfs/dbraw/zinc/10/73/28/204107328.db2.gz SNPZAPUHUAJKBU-GOSISDBHSA-N 1 1 398.572 5.000 50 0 GKAAMO Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)[N@H+]4CCCC[C@@H]4C)cc3)sc2c1 ZINC000035262632 204135527 /nfs/dbraw/zinc/13/55/27/204135527.db2.gz QEFAAMBTSZPXTO-DLBZAZTESA-N 1 1 393.556 5.473 50 0 GKAAMO Cc1cc2oc(=O)cc(C[NH2+][C@@H](C)c3ccc(Cl)cc3Cl)c2cc1Cl ZINC000007267655 204237232 /nfs/dbraw/zinc/23/72/32/204237232.db2.gz SIOCOFZBFRLUGI-NSHDSACASA-N 1 1 396.701 5.912 50 0 GKAAMO COc1ccc2cc(C[N@H+](C)CC(=O)Nc3c(C)cc(C)cc3Cl)ccc2c1 ZINC000007926816 204254668 /nfs/dbraw/zinc/25/46/68/204254668.db2.gz PDXXPRXWGNFFLO-UHFFFAOYSA-N 1 1 396.918 5.189 50 0 GKAAMO COc1ccc2cc(C[N@@H+](C)CC(=O)Nc3c(C)cc(C)cc3Cl)ccc2c1 ZINC000007926816 204254674 /nfs/dbraw/zinc/25/46/74/204254674.db2.gz PDXXPRXWGNFFLO-UHFFFAOYSA-N 1 1 396.918 5.189 50 0 GKAAMO Cc1cc(C)c(NC(=O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)c(Cl)c1 ZINC000010140186 204332202 /nfs/dbraw/zinc/33/22/02/204332202.db2.gz ITYUQBBCFZCDKF-UHFFFAOYSA-N 1 1 395.934 5.256 50 0 GKAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)c(C)c1 ZINC000011753883 204352703 /nfs/dbraw/zinc/35/27/03/204352703.db2.gz GSVAJSBTMNMUKN-QFIPXVFZSA-N 1 1 394.559 5.067 50 0 GKAAMO O=C(c1cccc2ccccc21)[C@H]1CCC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000011817496 204354308 /nfs/dbraw/zinc/35/43/08/204354308.db2.gz COMNVYYZHKSBLL-QFIPXVFZSA-N 1 1 380.491 5.483 50 0 GKAAMO COc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3c3cccnc3)c(C)o2)c(C)c1C ZINC000011820984 204356575 /nfs/dbraw/zinc/35/65/75/204356575.db2.gz QNSFEGZVYCUVJJ-QFIPXVFZSA-N 1 1 391.515 5.398 50 0 GKAAMO COc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3c3cccnc3)c(C)o2)c(C)c1C ZINC000011820984 204356578 /nfs/dbraw/zinc/35/65/78/204356578.db2.gz QNSFEGZVYCUVJJ-QFIPXVFZSA-N 1 1 391.515 5.398 50 0 GKAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)s2)C1)Nc1ccccc1F ZINC000011934864 204362549 /nfs/dbraw/zinc/36/25/49/204362549.db2.gz HHOVNNGBIJEGAR-AWEZNQCLSA-N 1 1 380.916 5.172 50 0 GKAAMO Cc1ccc(C)c(C[N@H+](Cc2ccc(F)cc2)C[C@@H](O)Cc2ccccc2)c1 ZINC000036103967 205004737 /nfs/dbraw/zinc/00/47/37/205004737.db2.gz PYJXMTMLEXFLSG-VWLOTQADSA-N 1 1 377.503 5.048 50 0 GKAAMO Fc1ccccc1C[N@@H+]1CCCn2cccc2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000036347348 205012122 /nfs/dbraw/zinc/01/21/22/205012122.db2.gz LUQHPJLZVWSQIY-NRFANRHFSA-N 1 1 388.408 5.641 50 0 GKAAMO Fc1ccccc1C[N@H+]1CCCn2cccc2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000036347348 205012126 /nfs/dbraw/zinc/01/21/26/205012126.db2.gz LUQHPJLZVWSQIY-NRFANRHFSA-N 1 1 388.408 5.641 50 0 GKAAMO COc1cccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccc(C(C)(C)C)cc2)c1 ZINC000036348334 205013395 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COc1ccc([C@@H]2CCC[N@H+]2Cc2nc(-c3ccccc3)oc2C)cc1OC ZINC000048303846 205118340 /nfs/dbraw/zinc/11/83/40/205118340.db2.gz OBKZFUOKHUPWNV-FQEVSTJZSA-N 1 1 378.472 5.004 50 0 GKAAMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3cccs3)oc2C)cc1OC ZINC000048325521 205120462 /nfs/dbraw/zinc/12/04/62/205120462.db2.gz YAIJWLAPTQRGQE-KRWDZBQOSA-N 1 1 384.501 5.066 50 0 GKAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc(-c3cccs3)oc2C)cc1OC ZINC000048325521 205120465 /nfs/dbraw/zinc/12/04/65/205120465.db2.gz YAIJWLAPTQRGQE-KRWDZBQOSA-N 1 1 384.501 5.066 50 0 GKAAMO CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1ccc(Cl)cc1)[NH2+]C2 ZINC000055211407 205146054 /nfs/dbraw/zinc/14/60/54/205146054.db2.gz XSFIKCCVRWPVDR-QFIPXVFZSA-N 1 1 382.891 5.121 50 0 GKAAMO C[N@@H+](CCOc1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000055392583 205149227 /nfs/dbraw/zinc/14/92/27/205149227.db2.gz OLOCIKCWZBQPDQ-UHFFFAOYSA-N 1 1 393.530 5.989 50 0 GKAAMO CCNc1nc(Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cc(C)[nH+]1 ZINC000064801241 205194718 /nfs/dbraw/zinc/19/47/18/205194718.db2.gz IHGPCBYRVQIJPK-UHFFFAOYSA-N 1 1 396.882 5.258 50 0 GKAAMO c1ccc(CN(Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)cc1 ZINC000055200069 209113052 /nfs/dbraw/zinc/11/30/52/209113052.db2.gz KRTPTIFSWFXFSA-XMMPIXPASA-N 1 1 377.576 5.129 50 0 GKAAMO CCOC(=O)C(c1ccccc1)(c1ccccc1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000071769332 205295706 /nfs/dbraw/zinc/29/57/06/205295706.db2.gz WQYRLUGDFUKNQQ-QHCPKHFHSA-N 1 1 391.555 5.190 50 0 GKAAMO Fc1ccc(C[N@@H+]2CCC[C@]3(CCN(c4nc5ccccc5s4)C3)C2)cc1F ZINC000072146491 205310311 /nfs/dbraw/zinc/31/03/11/205310311.db2.gz DLPUMOOQMLOVSO-QFIPXVFZSA-N 1 1 399.510 5.067 50 0 GKAAMO Fc1ccc(C[N@H+]2CCC[C@]3(CCN(c4nc5ccccc5s4)C3)C2)cc1F ZINC000072146491 205310315 /nfs/dbraw/zinc/31/03/15/205310315.db2.gz DLPUMOOQMLOVSO-QFIPXVFZSA-N 1 1 399.510 5.067 50 0 GKAAMO CC[NH+](CC)[C@H](C(=O)Nc1cccc(F)c1F)c1cccc(C(F)(F)F)c1 ZINC000072284652 205320021 /nfs/dbraw/zinc/32/00/21/205320021.db2.gz DFNOXAKSRNJMDI-KRWDZBQOSA-N 1 1 386.364 5.005 50 0 GKAAMO C[C@H](c1ccccn1)[N@@H+](C)Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1 ZINC000072411257 205346400 /nfs/dbraw/zinc/34/64/00/205346400.db2.gz ZQKRPJYHBQMKJM-LJQANCHMSA-N 1 1 398.510 5.467 50 0 GKAAMO C[C@H]1[C@H]2CC[C@@H](C)C[N@H+]2[C@H]2C[C@@H]3[C@@H]4CC=C5C=CCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]12 ZINC000253623583 206149666 /nfs/dbraw/zinc/14/96/66/206149666.db2.gz MVUKDQDMGIMFPT-MSSCTFIDSA-N 1 1 379.632 6.460 50 0 GKAAMO C[C@H]1[C@H]2CC[C@H](C)C[N@H+]2[C@@H]2C[C@@H]3[C@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]12 ZINC000257348294 206182986 /nfs/dbraw/zinc/18/29/86/206182986.db2.gz DCQBOIHKCBTVFH-KMRLNFSDSA-N 1 1 397.647 5.943 50 0 GKAAMO c1c(-c2ccccc2)c2c(nc[nH+]c2NCc2ccccn2)n1-c1ccccc1 ZINC000001447530 206381826 /nfs/dbraw/zinc/38/18/26/206381826.db2.gz LYPSIHWXXTZFBP-UHFFFAOYSA-N 1 1 377.451 5.095 50 0 GKAAMO CC[N@@H+](C[C@@H](O)COc1ccc(-c2ccc(C)cc2)cc1C)C1CCCCC1 ZINC000003242601 206463518 /nfs/dbraw/zinc/46/35/18/206463518.db2.gz PASRRAMZSZERDM-XMMPIXPASA-N 1 1 381.560 5.365 50 0 GKAAMO Cc1[nH+]c2cc(C)c(C)cc2n1CCCNC(=O)Nc1cccc2ccccc21 ZINC000004919492 206572464 /nfs/dbraw/zinc/57/24/64/206572464.db2.gz DGFZHSCARWTYRH-UHFFFAOYSA-N 1 1 386.499 5.327 50 0 GKAAMO Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@H+](Cc1ccccc1)C2 ZINC000100493792 211385945 /nfs/dbraw/zinc/38/59/45/211385945.db2.gz ZHBSCBQFJCPQOG-UHFFFAOYSA-N 1 1 377.538 5.165 50 0 GKAAMO COCCC[N@H+](Cc1cccn1Cc1cccc(C)c1)Cc1cccc(F)c1F ZINC000096299906 211330767 /nfs/dbraw/zinc/33/07/67/211330767.db2.gz GRMFAYVSQSBDEV-UHFFFAOYSA-N 1 1 398.497 5.162 50 0 GKAAMO COCCC[N@@H+](Cc1cccn1Cc1cccc(C)c1)Cc1cccc(F)c1F ZINC000096299906 211330769 /nfs/dbraw/zinc/33/07/69/211330769.db2.gz GRMFAYVSQSBDEV-UHFFFAOYSA-N 1 1 398.497 5.162 50 0 GKAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+](CC(C)(C)C)C2)cc1 ZINC000014964447 207034369 /nfs/dbraw/zinc/03/43/69/207034369.db2.gz CYTMGDNATAILEF-LJQANCHMSA-N 1 1 380.532 5.059 50 0 GKAAMO COc1ccc(C[N@H+]2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)c(C)c1C ZINC000015066372 207042036 /nfs/dbraw/zinc/04/20/36/207042036.db2.gz QGFJKMOQTLKISF-LJQANCHMSA-N 1 1 398.522 5.082 50 0 GKAAMO CCc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccccc2C(F)(F)F)cc1 ZINC000036348086 210720613 /nfs/dbraw/zinc/72/06/13/210720613.db2.gz QRGPNUCONSTFOY-QHCPKHFHSA-N 1 1 398.472 6.065 50 0 GKAAMO CCc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2C(F)(F)F)cc1 ZINC000036348086 210720616 /nfs/dbraw/zinc/72/06/16/210720616.db2.gz QRGPNUCONSTFOY-QHCPKHFHSA-N 1 1 398.472 6.065 50 0 GKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2C[C@H](C)C[C@H](C)C2)c1 ZINC000018056026 207092817 /nfs/dbraw/zinc/09/28/17/207092817.db2.gz KCDNSSDFCKCKAT-BGYRXZFFSA-N 1 1 396.538 5.878 50 0 GKAAMO Cc1cc(C)c(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c(C)c1 ZINC000019897179 207167716 /nfs/dbraw/zinc/16/77/16/207167716.db2.gz QZPDHIOGDDQVGR-UHFFFAOYSA-N 1 1 384.523 5.422 50 0 GKAAMO Cc1scc(CN2CC[NH+](Cc3ccccc3)CC2)c1-c1ccc(C)cc1 ZINC000020514450 207199143 /nfs/dbraw/zinc/19/91/43/207199143.db2.gz BWBXWDSMMUTIHL-UHFFFAOYSA-N 1 1 376.569 5.350 50 0 GKAAMO FC(F)(F)Oc1ccc([C@H]2c3ccsc3CC[N@@H+]2Cc2ccccc2)cc1 ZINC000020431982 207191597 /nfs/dbraw/zinc/19/15/97/207191597.db2.gz YXZYTPILCOZOFZ-FQEVSTJZSA-N 1 1 389.442 5.794 50 0 GKAAMO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+]2CCC[C@H]2c2cccs2)o1 ZINC000020948011 207220701 /nfs/dbraw/zinc/22/07/01/207220701.db2.gz IKGMHLHFBRFZNO-INIZCTEOSA-N 1 1 392.484 5.099 50 0 GKAAMO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+]2CCC[C@H]2c2cccs2)o1 ZINC000020948011 207220702 /nfs/dbraw/zinc/22/07/02/207220702.db2.gz IKGMHLHFBRFZNO-INIZCTEOSA-N 1 1 392.484 5.099 50 0 GKAAMO Fc1ccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)c(F)c1 ZINC000020997127 207222889 /nfs/dbraw/zinc/22/28/89/207222889.db2.gz ZQAXWPGQNXKPDE-AWEZNQCLSA-N 1 1 389.396 5.013 50 0 GKAAMO Fc1ccc([C@@H](c2ccccc2)[NH+]2CCN(Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000022454873 207253436 /nfs/dbraw/zinc/25/34/36/207253436.db2.gz XXHZCEFLKKELQZ-AREMUKBSSA-N 1 1 399.513 5.214 50 0 GKAAMO CCC(CC)C(=O)Nc1ccc2[nH]cc(CC[N@H+]3CCc4ccccc4C3)c2c1 ZINC000022666471 207259001 /nfs/dbraw/zinc/25/90/01/207259001.db2.gz ACQJEHZHKRSTBK-UHFFFAOYSA-N 1 1 389.543 5.143 50 0 GKAAMO c1c(C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)noc1-c1ccccc1 ZINC000023935603 207284035 /nfs/dbraw/zinc/28/40/35/207284035.db2.gz QPMJTPHRAYCUPE-KRWDZBQOSA-N 1 1 375.497 5.331 50 0 GKAAMO Fc1ccc(-c2cnc(C[N@H+]3CCC[C@H](c4nc5ccccc5s4)C3)o2)cc1 ZINC000023955913 207284324 /nfs/dbraw/zinc/28/43/24/207284324.db2.gz KOWKPXGAGYAEJM-INIZCTEOSA-N 1 1 393.487 5.470 50 0 GKAAMO C[N@@H+](Cc1ccccc1NC(=O)CCc1c[nH]c2ccccc12)C1CCCCC1 ZINC000024777596 207294230 /nfs/dbraw/zinc/29/42/30/207294230.db2.gz KZPMLTJHFOGBRW-UHFFFAOYSA-N 1 1 389.543 5.504 50 0 GKAAMO Cc1c2ccc(C)cc2oc1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000028287777 207338981 /nfs/dbraw/zinc/33/89/81/207338981.db2.gz YAPLIYGKYGPHFW-HXUWFJFHSA-N 1 1 396.918 5.270 50 0 GKAAMO CCc1c(C)sc2c1CC[N@H+](CC(=O)Nc1ccccc1)[C@H]2c1ccccc1 ZINC000021045651 210376507 /nfs/dbraw/zinc/37/65/07/210376507.db2.gz ADRCHOONPNVCHU-QHCPKHFHSA-N 1 1 390.552 5.205 50 0 GKAAMO CCc1c(C)sc2c1CC[N@@H+](CC(=O)Nc1ccccc1)[C@H]2c1ccccc1 ZINC000021045651 210376510 /nfs/dbraw/zinc/37/65/10/210376510.db2.gz ADRCHOONPNVCHU-QHCPKHFHSA-N 1 1 390.552 5.205 50 0 GKAAMO Cc1ncc(-c2ccc(F)cc2)c([C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)n1 ZINC000020785468 210360810 /nfs/dbraw/zinc/36/08/10/210360810.db2.gz NCLRZGJIQGFIEU-LJQANCHMSA-N 1 1 379.454 5.110 50 0 GKAAMO FC(F)(F)Oc1ccc([C@@H]2c3ccsc3CC[N@@H+]2Cc2ccccc2)cc1 ZINC000020431984 210334541 /nfs/dbraw/zinc/33/45/41/210334541.db2.gz YXZYTPILCOZOFZ-HXUWFJFHSA-N 1 1 389.442 5.794 50 0 GKAAMO FC(F)(F)Oc1ccc([C@H]2c3ccsc3CC[N@H+]2Cc2ccc[nH]2)cc1 ZINC000019835205 210303386 /nfs/dbraw/zinc/30/33/86/210303386.db2.gz WNQJRGNQJXBGAH-SFHVURJKSA-N 1 1 378.419 5.123 50 0 GKAAMO FC(F)(F)Oc1ccc([C@H]2c3ccsc3CC[N@@H+]2Cc2ccc[nH]2)cc1 ZINC000019835205 210303392 /nfs/dbraw/zinc/30/33/92/210303392.db2.gz WNQJRGNQJXBGAH-SFHVURJKSA-N 1 1 378.419 5.123 50 0 GKAAMO Cc1cc(C)c(NC(=S)N2CCC([N@H+](C)C3CCCCCC3)CC2)c(C)c1 ZINC000003060986 220600865 /nfs/dbraw/zinc/60/08/65/220600865.db2.gz SIVSULIJGNIFOC-UHFFFAOYSA-N 1 1 387.637 5.428 50 0 GKAAMO O=C(c1ccccc1)N1CCC([N@@H+](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000004744047 220760017 /nfs/dbraw/zinc/76/00/17/220760017.db2.gz DBUYAPLCVJLLPS-UHFFFAOYSA-N 1 1 398.550 5.036 50 0 GKAAMO C[C@@H]1[C@H]2CC[C@@H](C)C[N@H+]2[C@@H]2C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]21 ZINC000253614922 209043402 /nfs/dbraw/zinc/04/34/02/209043402.db2.gz JVKYZPBMZPJNAJ-NAZVTUIYSA-N 1 1 397.647 5.655 50 0 GKAAMO COc1cccc(OC)c1OCCCCCC[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000008742511 221053582 /nfs/dbraw/zinc/05/35/82/221053582.db2.gz WXGRAWSVKXIDBT-OAQYLSRUSA-N 1 1 398.547 5.265 50 0 biogenic GKAAMO O=C(CC[C@@H]1CCC[N@H+](C23CC4CC(CC(C4)C2)C3)C1)Nc1ccccc1F ZINC000011873284 221133601 /nfs/dbraw/zinc/13/36/01/221133601.db2.gz OOMISKHSUBTYFP-QZGUCNERSA-N 1 1 384.539 5.225 50 0 GKAAMO CSc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3c3ccccn3)c(C)o2)cc1 ZINC000011938485 221139107 /nfs/dbraw/zinc/13/91/07/221139107.db2.gz JOEKFLCLAPXXOA-OAQYLSRUSA-N 1 1 379.529 5.494 50 0 GKAAMO CSc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3c3ccccn3)c(C)o2)cc1 ZINC000011938485 221139111 /nfs/dbraw/zinc/13/91/11/221139111.db2.gz JOEKFLCLAPXXOA-OAQYLSRUSA-N 1 1 379.529 5.494 50 0 GKAAMO FC(F)(F)c1ccc(-c2noc(C[N@H+]3CC=C(c4ccccc4)CC3)n2)cc1 ZINC000012053677 221145759 /nfs/dbraw/zinc/14/57/59/221145759.db2.gz BAAHZFJVWKPFIK-UHFFFAOYSA-N 1 1 385.389 5.045 50 0 GKAAMO FC(F)(F)c1ccc(-c2noc(C[N@@H+]3CC=C(c4ccccc4)CC3)n2)cc1 ZINC000012053677 221145761 /nfs/dbraw/zinc/14/57/61/221145761.db2.gz BAAHZFJVWKPFIK-UHFFFAOYSA-N 1 1 385.389 5.045 50 0 GKAAMO CCOc1ccccc1-c1nc(C[N@H+](C)[C@H](C)c2cccc(OC)c2)c(C)o1 ZINC000012072426 221147151 /nfs/dbraw/zinc/14/71/51/221147151.db2.gz QESCBEPMSLQQRQ-MRXNPFEDSA-N 1 1 380.488 5.250 50 0 GKAAMO CCOc1ccccc1-c1nc(C[N@@H+](C)[C@H](C)c2cccc(OC)c2)c(C)o1 ZINC000012072426 221147154 /nfs/dbraw/zinc/14/71/54/221147154.db2.gz QESCBEPMSLQQRQ-MRXNPFEDSA-N 1 1 380.488 5.250 50 0 GKAAMO Cc1ccc(CN(Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)s1 ZINC000012304178 221177427 /nfs/dbraw/zinc/17/74/27/221177427.db2.gz VDWYWIHJZIJUFW-JOCHJYFZSA-N 1 1 397.632 5.498 50 0 GKAAMO Cc1[nH+]ccn1-c1ccc(C(F)(F)F)cc1NC(=O)Nc1ccc(Cl)cc1 ZINC000012564837 221208886 /nfs/dbraw/zinc/20/88/86/221208886.db2.gz UTLPQWIDGIDOKG-UHFFFAOYSA-N 1 1 394.784 5.497 50 0 GKAAMO C[C@@H](c1nnc(-c2cccs2)o1)[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012568600 221209148 /nfs/dbraw/zinc/20/91/48/221209148.db2.gz GSALKRWPFKYOEM-UONOGXRCSA-N 1 1 396.541 5.348 50 0 GKAAMO CCOc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)Nc3ccc(F)cc3C)C2)cc1 ZINC000012586848 221211530 /nfs/dbraw/zinc/21/15/30/221211530.db2.gz KISUAUUVANHVEN-IBGZPJMESA-N 1 1 398.522 5.164 50 0 GKAAMO CCOc1ccccc1-c1nc(C[N@@H+](C)Cc2cccc3ccccc32)c(C)o1 ZINC000012586834 221211864 /nfs/dbraw/zinc/21/18/64/221211864.db2.gz VNTHSLVFWJCMLB-UHFFFAOYSA-N 1 1 386.495 5.834 50 0 GKAAMO Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)[N@H+]4CCCC[C@@H]4C)cc3)sc2c1 ZINC000012904885 221243740 /nfs/dbraw/zinc/24/37/40/221243740.db2.gz QEFAAMBTSZPXTO-IRXDYDNUSA-N 1 1 393.556 5.473 50 0 GKAAMO CC(C)c1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000013095295 221260334 /nfs/dbraw/zinc/26/03/34/221260334.db2.gz DXNIJQPGDKQYNI-CQSZACIVSA-N 1 1 379.331 5.576 50 0 GKAAMO CC(C)c1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000013095295 221260335 /nfs/dbraw/zinc/26/03/35/221260335.db2.gz DXNIJQPGDKQYNI-CQSZACIVSA-N 1 1 379.331 5.576 50 0 GKAAMO CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CC[N@H+]1Cc1ccccc1F ZINC000013759463 221287876 /nfs/dbraw/zinc/28/78/76/221287876.db2.gz IFBKQBARPJGXJC-AGILITTLSA-N 1 1 383.507 5.093 50 0 GKAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1sc2ccccc2c1Cl ZINC000015859872 221348794 /nfs/dbraw/zinc/34/87/94/221348794.db2.gz MKFVQXJFIXUUCP-OAHLLOKOSA-N 1 1 388.920 5.105 50 0 GKAAMO Clc1ccc(CC[NH2+][C@H](c2nnc(-c3ccccc3)o2)c2ccccc2)cc1 ZINC000016493558 221365208 /nfs/dbraw/zinc/36/52/08/221365208.db2.gz FGMGQCXEBWGMNI-NRFANRHFSA-N 1 1 389.886 5.312 50 0 GKAAMO C[C@@H]1C[C@H](C)CN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)C1 ZINC000016712849 221368801 /nfs/dbraw/zinc/36/88/01/221368801.db2.gz LLMLUPSAGHTUME-KDURUIRLSA-N 1 1 382.511 5.570 50 0 GKAAMO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H](C)c1ccccc1Br ZINC000017312626 221383422 /nfs/dbraw/zinc/38/34/22/221383422.db2.gz RKCBLUKJONOPFF-OAHLLOKOSA-N 1 1 398.348 5.162 50 0 GKAAMO C[C@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000007002968 136195261 /nfs/dbraw/zinc/19/52/61/136195261.db2.gz YSGBKEPGVSFBEP-AWEZNQCLSA-N 1 1 392.330 5.423 50 0 GKAAMO CCc1cc([C@H](c2cccnc2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038546116 221880571 /nfs/dbraw/zinc/88/05/71/221880571.db2.gz BRLPISSAJDQQBW-FQEVSTJZSA-N 1 1 395.528 5.126 50 0 GKAAMO C[C@@H]([NH2+][C@@H](c1cccs1)c1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000057473807 222033964 /nfs/dbraw/zinc/03/39/64/222033964.db2.gz MXCVAGBSYDQSQF-BFUOFWGJSA-N 1 1 388.895 5.247 50 0 GKAAMO CCCCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3ccccc3)ccc21 ZINC000065322339 222123090 /nfs/dbraw/zinc/12/30/90/222123090.db2.gz HIOANRNHPOITPD-UHFFFAOYSA-N 1 1 390.531 5.075 50 0 GKAAMO Cc1ccc2c(c1)c1c(n2CCc2ccc(C(F)(F)F)cc2)CCC[N@H+](C)C1 ZINC000085393232 222323401 /nfs/dbraw/zinc/32/34/01/222323401.db2.gz QOKSLUVRRGQTTL-UHFFFAOYSA-N 1 1 386.461 5.589 50 0 GKAAMO C[C@H]1[C@@H]2CC[C@@H](C)C[N@H+]2[C@@H]2C[C@@H]3[C@H]4CC=C5C=CCC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]12 ZINC000253534729 525094410 /nfs/dbraw/zinc/09/44/10/525094410.db2.gz MVUKDQDMGIMFPT-YHJCXLRLSA-N 1 1 379.632 6.460 50 0 GKAAMO CCn1c2ccccc2c2cc(C[NH+]3CCN(Cc4ccccc4C)CC3)ccc21 ZINC000019781667 570218785 /nfs/dbraw/zinc/21/87/85/570218785.db2.gz CXGGJWPTSKYBDB-UHFFFAOYSA-N 1 1 397.566 5.441 50 0 GKAAMO FC(F)(F)Oc1ccc([C@@H]2c3ccsc3CC[N@H+]2Cc2ccc[nH]2)cc1 ZINC000019835207 570223673 /nfs/dbraw/zinc/22/36/73/570223673.db2.gz WNQJRGNQJXBGAH-GOSISDBHSA-N 1 1 378.419 5.123 50 0 GKAAMO FC(F)(F)Oc1ccc([C@@H]2c3ccsc3CC[N@@H+]2Cc2ccc[nH]2)cc1 ZINC000019835207 570223676 /nfs/dbraw/zinc/22/36/76/570223676.db2.gz WNQJRGNQJXBGAH-GOSISDBHSA-N 1 1 378.419 5.123 50 0 GKAAMO C[C@@H]([NH2+][C@H](C)c1ccccc1F)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000048261112 570224681 /nfs/dbraw/zinc/22/46/81/570224681.db2.gz XJRNEXXOMFLGLA-GHMZBOCLSA-N 1 1 388.792 5.176 50 0 GKAAMO FC(F)(F)c1ccc(C[NH+]2CCN(Cc3ccc4ccccc4c3)CC2)cc1 ZINC000019841261 570224874 /nfs/dbraw/zinc/22/48/74/570224874.db2.gz MUNABIINICXUOD-UHFFFAOYSA-N 1 1 384.445 5.176 50 0 GKAAMO Cc1cc(Nc2ccc(I)cc2)c2cc(Cl)ccc2[nH+]1 ZINC000000948644 570231144 /nfs/dbraw/zinc/23/11/44/570231144.db2.gz SEGPXGMSYMZHCJ-UHFFFAOYSA-N 1 1 394.643 5.545 50 0 GKAAMO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccccc3)oc2C)cc1OC ZINC000048303844 570232034 /nfs/dbraw/zinc/23/20/34/570232034.db2.gz OBKZFUOKHUPWNV-HXUWFJFHSA-N 1 1 378.472 5.004 50 0 GKAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3ccccc3)oc2C)cc1OC ZINC000048303844 570232038 /nfs/dbraw/zinc/23/20/38/570232038.db2.gz OBKZFUOKHUPWNV-HXUWFJFHSA-N 1 1 378.472 5.004 50 0 GKAAMO Cc1ccc(C)c(NC(=O)[C@H]([NH2+][C@H]2CCCc3ccccc32)c2ccccc2)c1 ZINC000006086218 570240216 /nfs/dbraw/zinc/24/02/16/570240216.db2.gz QVUCQRRTJLTYFT-UKILVPOCSA-N 1 1 384.523 5.650 50 0 GKAAMO Cc1ccc(C)c(NC(=O)[C@@H]([NH2+][C@@H]2CCCc3ccccc32)c2ccccc2)c1 ZINC000006086216 570240309 /nfs/dbraw/zinc/24/03/09/570240309.db2.gz QVUCQRRTJLTYFT-NOZRDPDXSA-N 1 1 384.523 5.650 50 0 GKAAMO Fc1cccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3c(F)ccc(F)c3F)C2)c1 ZINC000020149415 570244213 /nfs/dbraw/zinc/24/42/13/570244213.db2.gz HDEBCFACFHJUJF-AWEZNQCLSA-N 1 1 389.396 5.013 50 0 GKAAMO Fc1cccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](Cc3c(F)ccc(F)c3F)C2)c1 ZINC000020149415 570244216 /nfs/dbraw/zinc/24/42/16/570244216.db2.gz HDEBCFACFHJUJF-AWEZNQCLSA-N 1 1 389.396 5.013 50 0 GKAAMO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H](c4nc5ccccc5o4)C3)c(C)o2)o1 ZINC000020322980 570252099 /nfs/dbraw/zinc/25/20/99/570252099.db2.gz SIJGEGZKNPAUNG-INIZCTEOSA-N 1 1 377.444 5.072 50 0 GKAAMO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[N@H+]1CCCC[C@H]1CCCO ZINC000020352094 570252564 /nfs/dbraw/zinc/25/25/64/570252564.db2.gz UZFWXETYXGFITF-QHCPKHFHSA-N 1 1 390.527 5.444 50 0 GKAAMO Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](c1cccs1)c1ccc(F)cc1 ZINC000012846818 570265267 /nfs/dbraw/zinc/26/52/67/570265267.db2.gz SUEYNZOTHLELME-FQEVSTJZSA-N 1 1 388.895 5.167 50 0 GKAAMO Cc1ccc2nc(CCc3cccc(NC(=O)CCC4CCCC4)c3)[nH]c2c1 ZINC000015863573 570279517 /nfs/dbraw/zinc/27/95/17/570279517.db2.gz LUEBUGHYVKMPBO-UHFFFAOYSA-N 1 1 375.516 5.565 50 0 GKAAMO Cc1[nH+]c2cc(Nc3nnc(C)c4ccccc43)ccc2n1Cc1ccccc1 ZINC000002296422 570281598 /nfs/dbraw/zinc/28/15/98/570281598.db2.gz AQCAMPKAFYAOON-UHFFFAOYSA-N 1 1 379.467 5.388 50 0 GKAAMO Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@H](COc2cccc(C)c2)C1 ZINC000020916846 570284598 /nfs/dbraw/zinc/28/45/98/570284598.db2.gz QRTGOAHQJXNXEJ-SFHVURJKSA-N 1 1 382.529 5.311 50 0 GKAAMO Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C[N@H+](C)C3CCCCC3)C2)cc1 ZINC000034697640 570298711 /nfs/dbraw/zinc/29/87/11/570298711.db2.gz XWJLQGMZKSNDGA-NOZRDPDXSA-N 1 1 390.571 5.115 50 0 GKAAMO COc1cc2c(cc1C[N@H+]1CCc3ccccc3C1)oc(C)c2-c1ccccc1 ZINC000022077659 570305138 /nfs/dbraw/zinc/30/51/38/570305138.db2.gz MNBLLUSDWPBUFY-UHFFFAOYSA-N 1 1 383.491 5.975 50 0 GKAAMO CCCC[N@@H+](Cc1ccccc1)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000002893921 570317315 /nfs/dbraw/zinc/31/73/15/570317315.db2.gz BDXDSYDTWXYXMR-UHFFFAOYSA-N 1 1 381.604 6.790 50 0 GKAAMO CC[N@@H+](Cc1ccccc1)Cc1cc2oc(C)c(-c3ccccc3)c2cc1OC ZINC000002928694 570318482 /nfs/dbraw/zinc/31/84/82/570318482.db2.gz MGGMEBDPDNBEFC-UHFFFAOYSA-N 1 1 385.507 6.439 50 0 GKAAMO Fc1ccc(C2=CC[N@@H+](Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)cc1 ZINC000005671363 570322571 /nfs/dbraw/zinc/32/25/71/570322571.db2.gz ATEPKTFFTGYOHN-UHFFFAOYSA-N 1 1 393.889 6.561 50 0 GKAAMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1occc1-c1ccccc1 ZINC000022619751 570323888 /nfs/dbraw/zinc/32/38/88/570323888.db2.gz KXHQAXMZJFIEEI-OAQYLSRUSA-N 1 1 394.902 5.167 50 0 GKAAMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1occc1-c1ccccc1 ZINC000022619753 570323967 /nfs/dbraw/zinc/32/39/67/570323967.db2.gz KXHQAXMZJFIEEI-NRFANRHFSA-N 1 1 394.902 5.167 50 0 GKAAMO CC(C)[C@H](C)[N@@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000035843766 570343056 /nfs/dbraw/zinc/34/30/56/570343056.db2.gz FDDZYEGTURZUCW-IBGZPJMESA-N 1 1 382.498 5.861 50 0 GKAAMO C[C@@H](c1nnc(-c2cccs2)o1)[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000035361569 570344605 /nfs/dbraw/zinc/34/46/05/570344605.db2.gz GSALKRWPFKYOEM-KBPBESRZSA-N 1 1 396.541 5.348 50 0 GKAAMO C[C@H](c1ccncn1)[N@H+](C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000023158714 570347326 /nfs/dbraw/zinc/34/73/26/570347326.db2.gz VIVDXQJMDBBGIL-GOSISDBHSA-N 1 1 389.547 5.118 50 0 GKAAMO C[C@H](c1ccncn1)[N@@H+](C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000023158714 570347327 /nfs/dbraw/zinc/34/73/27/570347327.db2.gz VIVDXQJMDBBGIL-GOSISDBHSA-N 1 1 389.547 5.118 50 0 GKAAMO Cc1cccc(Cn2cccc2C[N@H+](CCC(C)C)Cc2ccc(F)cc2)c1 ZINC000004874961 570353188 /nfs/dbraw/zinc/35/31/88/570353188.db2.gz NNOCLOIMZKMXGC-UHFFFAOYSA-N 1 1 378.535 6.032 50 0 GKAAMO C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000035362411 570360135 /nfs/dbraw/zinc/36/01/35/570360135.db2.gz ZRMOYBFYPALLGV-RDJZCZTQSA-N 1 1 390.512 5.287 50 0 GKAAMO COc1cc(Cl)c(C)cc1Nc1c2cc(Cl)ccc2[nH+]c2c1CCCC2 ZINC000004924035 570370477 /nfs/dbraw/zinc/37/04/77/570370477.db2.gz RCWKNACHNAAOSG-UHFFFAOYSA-N 1 1 387.310 6.481 50 0 GKAAMO COc1cc(Nc2c3c([nH+]c4ccc(Cl)cc42)CCC3)cc(OC)c1OC ZINC000004924149 570370580 /nfs/dbraw/zinc/37/05/80/570370580.db2.gz FZVLUTIXFHNBOZ-UHFFFAOYSA-N 1 1 384.863 5.146 50 0 GKAAMO C=Cc1ccc(CSC2=[NH+]c3ccccc3NC(CC(=O)OCC)=C2)cc1 ZINC000035480716 570372722 /nfs/dbraw/zinc/37/27/22/570372722.db2.gz IFWZTPTUZUZEPK-UHFFFAOYSA-N 1 1 378.497 5.556 50 0 GKAAMO CCN(CC)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c(N(CC)CC)[nH+]1 ZINC000004390505 570373080 /nfs/dbraw/zinc/37/30/80/570373080.db2.gz QCIIDMXEQKIBNW-UHFFFAOYSA-N 1 1 396.579 5.324 50 0 GKAAMO Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)o2)c1 ZINC000023956042 570375857 /nfs/dbraw/zinc/37/58/57/570375857.db2.gz ANZJQMCOBFNTPX-QGZVFWFLSA-N 1 1 390.512 5.034 50 0 GKAAMO Cc1ccccc1-c1noc(C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)n1 ZINC000023990151 570376332 /nfs/dbraw/zinc/37/63/32/570376332.db2.gz FYJUUDVGFHMHGG-INIZCTEOSA-N 1 1 390.512 5.034 50 0 GKAAMO CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CC[N@H+]1Cc1ccccc1Cl ZINC000004084120 570386540 /nfs/dbraw/zinc/38/65/40/570386540.db2.gz CGAXGIVILAYNDK-OYDLWJJNSA-N 1 1 399.962 5.607 50 0 biogenic GKAAMO C[N@@H+](Cc1ccccc1NC(=O)CCCOc1ccccc1)C1CCCCC1 ZINC000026492388 570426185 /nfs/dbraw/zinc/42/61/85/570426185.db2.gz ZHDPHXCRMLMXLZ-UHFFFAOYSA-N 1 1 380.532 5.249 50 0 GKAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccccc2Cl)cc1 ZINC000005151799 570429080 /nfs/dbraw/zinc/42/90/80/570429080.db2.gz BYWHFODVRVSDOY-MZYLBHOOSA-N 1 1 385.935 5.217 50 0 GKAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000011011292 570431572 /nfs/dbraw/zinc/43/15/72/570431572.db2.gz WKBVKTAHWHLSCW-XMMPIXPASA-N 1 1 386.495 5.285 50 0 GKAAMO Cc1ccccc1C[N@H+](Cc1cccn1Cc1ccccc1F)[C@@H](C)C(C)C ZINC000035841053 570463362 /nfs/dbraw/zinc/46/33/62/570463362.db2.gz GTWQTGOGLLQFDG-NRFANRHFSA-N 1 1 378.535 6.031 50 0 GKAAMO COc1cccc(Cn2cccc2C[N@@H+](Cc2cccc(F)c2)[C@@H](C)C(C)C)c1 ZINC000035841133 570464011 /nfs/dbraw/zinc/46/40/11/570464011.db2.gz RJUWEINDXJCZCM-FQEVSTJZSA-N 1 1 394.534 5.731 50 0 GKAAMO CC(C)[C@@H](C)[N@@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000035843765 570464251 /nfs/dbraw/zinc/46/42/51/570464251.db2.gz FDDZYEGTURZUCW-LJQANCHMSA-N 1 1 382.498 5.861 50 0 GKAAMO Cc1cccc(C[N@H+](Cc2cccn2Cc2ccc(F)cc2)[C@@H](C)C(C)C)c1 ZINC000035843767 570464533 /nfs/dbraw/zinc/46/45/33/570464533.db2.gz GWQDIRRHYTXTGN-NRFANRHFSA-N 1 1 378.535 6.031 50 0 GKAAMO CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CC[N@H+]1Cc1ccccc1F ZINC000005163799 570468705 /nfs/dbraw/zinc/46/87/05/570468705.db2.gz IFBKQBARPJGXJC-HUVFLSCGSA-N 1 1 383.507 5.093 50 0 GKAAMO COc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CC[N@H+]1Cc1ccccc1Cl ZINC000005163627 570468993 /nfs/dbraw/zinc/46/89/93/570468993.db2.gz BUZOOTVRWDNERF-PMOQBDJRSA-N 1 1 385.935 5.217 50 0 GKAAMO C[N@@H+](CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)[C@@H]1CCc2ccccc21 ZINC000029482960 570474693 /nfs/dbraw/zinc/47/46/93/570474693.db2.gz ZQMYMCXYXYGOJC-QGZVFWFLSA-N 1 1 383.706 5.205 50 0 GKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC2CCCCCC2)c1 ZINC000002714274 570509261 /nfs/dbraw/zinc/50/92/61/570509261.db2.gz BJYDWNLADZKNCJ-UHFFFAOYSA-N 1 1 396.538 6.531 50 0 GKAAMO COCCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000002714407 570509266 /nfs/dbraw/zinc/50/92/66/570509266.db2.gz DIFPHMGOBXIJLL-UHFFFAOYSA-N 1 1 392.890 5.189 50 0 GKAAMO CCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000002714883 570509602 /nfs/dbraw/zinc/50/96/02/570509602.db2.gz VRCMNAXOGAZQBV-UHFFFAOYSA-N 1 1 376.891 5.871 50 0 GKAAMO Cc1ccc(NC(=O)[C@H]([NH2+][C@@H](C)c2ccccc2)c2ccccc2)cc1Cl ZINC000006638964 570512252 /nfs/dbraw/zinc/51/22/52/570512252.db2.gz XJKPJWJLCXMMDQ-HTAPYJJXSA-N 1 1 378.903 5.679 50 0 GKAAMO Cc1ccc(NC(=O)[C@H]([NH2+][C@H](C)c2ccccc2)c2ccccc2)cc1Cl ZINC000006638972 570512649 /nfs/dbraw/zinc/51/26/49/570512649.db2.gz XJKPJWJLCXMMDQ-VGOFRKELSA-N 1 1 378.903 5.679 50 0 GKAAMO COCC[N@@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)oc2c(C)cc(C)cc12 ZINC000033018778 570518330 /nfs/dbraw/zinc/51/83/30/570518330.db2.gz NKJULPODNADZNF-UHFFFAOYSA-N 1 1 393.527 5.182 50 0 GKAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCCCC[C@@H]2c2cccs2)cc1OC ZINC000033087078 570519194 /nfs/dbraw/zinc/51/91/94/570519194.db2.gz NANSURGIDQRDOQ-GOSISDBHSA-N 1 1 397.544 5.273 50 0 GKAAMO CC(C)c1oc([C@H]2CCC[N@@H+]2CCOC[C@@H]2CCCCO2)nc1-c1ccccc1 ZINC000072308410 570528063 /nfs/dbraw/zinc/52/80/63/570528063.db2.gz UHYOTCOMLSQKFP-LEWJYISDSA-N 1 1 398.547 5.188 50 0 GKAAMO CC(C)c1oc([C@H]2CCC[N@H+]2CCOC[C@@H]2CCCCO2)nc1-c1ccccc1 ZINC000072308410 570528070 /nfs/dbraw/zinc/52/80/70/570528070.db2.gz UHYOTCOMLSQKFP-LEWJYISDSA-N 1 1 398.547 5.188 50 0 GKAAMO CC(C)c1oc([C@@H]2CCC[N@@H+]2CCOC[C@@H]2CCCCO2)nc1-c1ccccc1 ZINC000072308409 570528156 /nfs/dbraw/zinc/52/81/56/570528156.db2.gz UHYOTCOMLSQKFP-SFTDATJTSA-N 1 1 398.547 5.188 50 0 GKAAMO CC(C)c1oc([C@@H]2CCC[N@H+]2CCOC[C@@H]2CCCCO2)nc1-c1ccccc1 ZINC000072308409 570528162 /nfs/dbraw/zinc/52/81/62/570528162.db2.gz UHYOTCOMLSQKFP-SFTDATJTSA-N 1 1 398.547 5.188 50 0 GKAAMO Clc1c(OCCC[N@H+]2CCCC[C@@H]2c2cccnc2)ccc2ccccc21 ZINC000006673525 570529432 /nfs/dbraw/zinc/52/94/32/570529432.db2.gz ZTUZPMLGGLBHHW-OAQYLSRUSA-N 1 1 380.919 5.884 50 0 GKAAMO COc1cc(C[N@H+]2CCCC[C@@H]2c2cccnc2)ccc1OCc1ccccc1 ZINC000001193403 570535343 /nfs/dbraw/zinc/53/53/43/570535343.db2.gz RPBNMMZXDHWKHD-HSZRJFAPSA-N 1 1 388.511 5.396 50 0 GKAAMO Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@H](O)Cc2ccccc2)c(C)c1 ZINC000036098995 570536942 /nfs/dbraw/zinc/53/69/42/570536942.db2.gz JOINITSSBQMBFL-RUZDIDTESA-N 1 1 377.503 5.048 50 0 GKAAMO CCOc1cc(C[N@@H+]2CCCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)ccc1O ZINC000022078003 570537887 /nfs/dbraw/zinc/53/78/87/570537887.db2.gz VTWKSSRJXDRURB-QFIPXVFZSA-N 1 1 390.527 5.337 50 0 GKAAMO CCOc1cc(C[N@H+]2CCCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)ccc1O ZINC000022078003 570537888 /nfs/dbraw/zinc/53/78/88/570537888.db2.gz VTWKSSRJXDRURB-QFIPXVFZSA-N 1 1 390.527 5.337 50 0 GKAAMO Fc1cc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c2c(c1)CO[C@H](c1ccccc1)O2 ZINC000034892488 570546676 /nfs/dbraw/zinc/54/66/76/570546676.db2.gz DDWCKFWWUMGCPG-PXNSSMCTSA-N 1 1 395.396 5.208 50 0 GKAAMO Fc1cc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)c2c(c1)CO[C@H](c1ccccc1)O2 ZINC000034892488 570546679 /nfs/dbraw/zinc/54/66/79/570546679.db2.gz DDWCKFWWUMGCPG-PXNSSMCTSA-N 1 1 395.396 5.208 50 0 GKAAMO CCCC(O)(CCC)c1ccc(C[N@@H+](Cc2ccccc2OC)[C@@H](C)CC)o1 ZINC000036167794 570556749 /nfs/dbraw/zinc/55/67/49/570556749.db2.gz OQQBJGNMJQGHQO-IBGZPJMESA-N 1 1 387.564 5.877 50 0 GKAAMO COc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2cccc(Cl)c2)cc1OC ZINC000036347671 570563591 /nfs/dbraw/zinc/56/35/91/570563591.db2.gz CSEQMMZCAUKIKB-QHCPKHFHSA-N 1 1 396.918 5.154 50 0 GKAAMO COc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cccc(Cl)c2)cc1OC ZINC000036347671 570563593 /nfs/dbraw/zinc/56/35/93/570563593.db2.gz CSEQMMZCAUKIKB-QHCPKHFHSA-N 1 1 396.918 5.154 50 0 GKAAMO C[N@@H+](Cc1nc(=O)c2c(-c3cccc(Cl)c3)csc2[nH]1)C1CCCCC1 ZINC000036204064 570568196 /nfs/dbraw/zinc/56/81/96/570568196.db2.gz FYMQGKUCTZYKAX-UHFFFAOYSA-N 1 1 387.936 5.070 50 0 GKAAMO CC(C)=CC(O)(C=C(C)C)c1ccc(C[N@@H+](Cc2ccc(C)cc2)C2CC2)o1 ZINC000036202816 570568361 /nfs/dbraw/zinc/56/83/61/570568361.db2.gz RBSDZMWVWOFUHU-UHFFFAOYSA-N 1 1 379.544 5.873 50 0 GKAAMO C[C@H]([NH2+][C@@H](C)c1ccccc1Br)c1ccccc1Br ZINC000036945581 570570850 /nfs/dbraw/zinc/57/08/50/570570850.db2.gz IVHPEUYIDISHIW-RYUDHWBXSA-N 1 1 383.127 5.623 50 0 GKAAMO C[N@H+]1CCCC[C@@H]1Cn1cc(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21 ZINC000038465931 570579169 /nfs/dbraw/zinc/57/91/69/570579169.db2.gz JRECAXBHMULNJQ-FMSQDJPCSA-N 1 1 390.571 5.525 50 0 in-vitro GKAAMO CCOc1ccc(-c2nc(C[N@H+](C)[C@@H](C)c3cccc(OC)c3)c(C)o2)cc1 ZINC000011815759 570583845 /nfs/dbraw/zinc/58/38/45/570583845.db2.gz MJYGSRPOMVJXQN-INIZCTEOSA-N 1 1 380.488 5.250 50 0 GKAAMO CCOc1ccc(-c2nc(C[N@@H+](C)[C@@H](C)c3cccc(OC)c3)c(C)o2)cc1 ZINC000011815759 570583847 /nfs/dbraw/zinc/58/38/47/570583847.db2.gz MJYGSRPOMVJXQN-INIZCTEOSA-N 1 1 380.488 5.250 50 0 GKAAMO Cc1n[nH]c(C)c1C[N@H+](C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000011839473 570586805 /nfs/dbraw/zinc/58/68/05/570586805.db2.gz MFVYFUGVPFPAOW-UHFFFAOYSA-N 1 1 391.563 5.107 50 0 GKAAMO COc1ccc(-c2nc(C[N@H+](C)Cc3cccc4cnccc43)c(C)o2)cc1C ZINC000011946517 570595275 /nfs/dbraw/zinc/59/52/75/570595275.db2.gz QIBSHUPEVUKMPI-UHFFFAOYSA-N 1 1 387.483 5.147 50 0 GKAAMO COc1ccc(-c2nc(C[N@@H+](C)Cc3cccc4cnccc43)c(C)o2)cc1C ZINC000011946517 570595279 /nfs/dbraw/zinc/59/52/79/570595279.db2.gz QIBSHUPEVUKMPI-UHFFFAOYSA-N 1 1 387.483 5.147 50 0 GKAAMO CSc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)cc1 ZINC000012112176 570608715 /nfs/dbraw/zinc/60/87/15/570608715.db2.gz HHTPTPCWCRDADW-KRWDZBQOSA-N 1 1 386.536 5.179 50 0 GKAAMO COCC[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C ZINC000012193145 570622240 /nfs/dbraw/zinc/62/22/40/570622240.db2.gz BVRUKSMTZUIYQH-KRWDZBQOSA-N 1 1 382.426 5.060 50 0 GKAAMO CC(C)c1csc(C[N@@H+]2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)n1 ZINC000012195574 570623071 /nfs/dbraw/zinc/62/30/71/570623071.db2.gz IILNVTLCZBSFEO-INIZCTEOSA-N 1 1 389.540 5.037 50 0 GKAAMO CC(C)c1csc(C[N@H+]2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)n1 ZINC000012195574 570623075 /nfs/dbraw/zinc/62/30/75/570623075.db2.gz IILNVTLCZBSFEO-INIZCTEOSA-N 1 1 389.540 5.037 50 0 GKAAMO CCn1c[nH+]c2cc(NCc3nc4ccccc4n3Cc3ccccc3)ccc21 ZINC000004597516 570629180 /nfs/dbraw/zinc/62/91/80/570629180.db2.gz GUXLBBVVAYGJQD-UHFFFAOYSA-N 1 1 381.483 5.066 50 0 GKAAMO Cc1cccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2C(F)(F)F)c1 ZINC000036348405 570629724 /nfs/dbraw/zinc/62/97/24/570629724.db2.gz CXKMEZAJZTXQDO-QFIPXVFZSA-N 1 1 384.445 5.811 50 0 GKAAMO CCc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccccc2C(F)(F)F)cc1 ZINC000036348085 570630870 /nfs/dbraw/zinc/63/08/70/570630870.db2.gz QRGPNUCONSTFOY-HSZRJFAPSA-N 1 1 398.472 6.065 50 0 GKAAMO CCc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2C(F)(F)F)cc1 ZINC000036348085 570630873 /nfs/dbraw/zinc/63/08/73/570630873.db2.gz QRGPNUCONSTFOY-HSZRJFAPSA-N 1 1 398.472 6.065 50 0 GKAAMO COc1cccc(C[N@H+]2CCCn3cccc3[C@H]2c2cc(C)ccc2C)c1OC ZINC000036348131 570630892 /nfs/dbraw/zinc/63/08/92/570630892.db2.gz MOTYGWCHDHBPKZ-XMMPIXPASA-N 1 1 390.527 5.117 50 0 GKAAMO C=C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000136611979 570631726 /nfs/dbraw/zinc/63/17/26/570631726.db2.gz AQAGPBXWLXHMCE-BVZFJXPGSA-N 1 1 379.544 5.749 50 0 GKAAMO CSc1ccccc1C(=O)[C@@H]1CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000012297467 570634390 /nfs/dbraw/zinc/63/43/90/570634390.db2.gz AXXYYFALLQKXAZ-LJQANCHMSA-N 1 1 376.525 5.052 50 0 GKAAMO c1[nH]nc(-c2ccc(-c3ccccc3)cc2)c1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000012298614 570634892 /nfs/dbraw/zinc/63/48/92/570634892.db2.gz CIBGXFGQENQASQ-DEOSSOPVSA-N 1 1 380.495 5.476 50 0 GKAAMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@H](C(=O)c2cccc3ccccc32)C1 ZINC000012299252 570635426 /nfs/dbraw/zinc/63/54/26/570635426.db2.gz QHQJFZBAAPVSJX-NRFANRHFSA-N 1 1 389.543 5.329 50 0 GKAAMO COc1ccc2cc(-c3n[nH]cc3C[N@H+]3CCCC[C@H]3c3ccccn3)ccc2c1 ZINC000012430313 570658653 /nfs/dbraw/zinc/65/86/53/570658653.db2.gz CMJLYRSPJYHRDQ-DEOSSOPVSA-N 1 1 398.510 5.361 50 0 GKAAMO Cc1ccc(NC(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccccc3C)C2)c(C)c1 ZINC000012431472 570659586 /nfs/dbraw/zinc/65/95/86/570659586.db2.gz RVIBWKZOXNMDGN-QFIPXVFZSA-N 1 1 393.575 5.030 50 0 GKAAMO Cc1ccc(NC(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccccc3C)C2)c(C)c1 ZINC000012431473 570659664 /nfs/dbraw/zinc/65/96/64/570659664.db2.gz RVIBWKZOXNMDGN-JOCHJYFZSA-N 1 1 393.575 5.030 50 0 GKAAMO Cc1cc(C[N@@H+](C)Cc2cn(-c3ccc(C)cc3)nc2-c2cccc(C)c2)on1 ZINC000012458138 570669519 /nfs/dbraw/zinc/66/95/19/570669519.db2.gz NBIKRRZIGRGXJM-UHFFFAOYSA-N 1 1 386.499 5.085 50 0 GKAAMO Cc1cc(C[N@H+](C)Cc2cn(-c3ccc(C)cc3)nc2-c2cccc(C)c2)on1 ZINC000012458138 570669522 /nfs/dbraw/zinc/66/95/22/570669522.db2.gz NBIKRRZIGRGXJM-UHFFFAOYSA-N 1 1 386.499 5.085 50 0 GKAAMO COc1ccc(-c2nc(C[N@H+](Cc3ccccc3)CC3CC3)c(C)o2)cc1OC ZINC000012480984 570674678 /nfs/dbraw/zinc/67/46/78/570674678.db2.gz LOJCWZWOMDXMRD-UHFFFAOYSA-N 1 1 392.499 5.079 50 0 GKAAMO O=C(CCC[N@H+]1CCc2ccccc2[C@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC000006885531 570679487 /nfs/dbraw/zinc/67/94/87/570679487.db2.gz BCELXGVOPNQNAC-VWLOTQADSA-N 1 1 387.498 5.479 50 0 GKAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+]1CCN(c2ccccc2)C[C@@H]1C ZINC000055099409 570683071 /nfs/dbraw/zinc/68/30/71/570683071.db2.gz GHZNPXCTRGYORS-INIZCTEOSA-N 1 1 381.907 5.014 50 0 GKAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+]1CCN(c2ccccc2)C[C@@H]1C ZINC000055099409 570683073 /nfs/dbraw/zinc/68/30/73/570683073.db2.gz GHZNPXCTRGYORS-INIZCTEOSA-N 1 1 381.907 5.014 50 0 GKAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2cc3ccccc3s2)C1)Nc1ccccc1F ZINC000012707764 570701013 /nfs/dbraw/zinc/70/10/13/570701013.db2.gz DPMDJYBCTJMZQD-QGZVFWFLSA-N 1 1 396.531 5.671 50 0 GKAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](C/C=C/c3ccccc3)C2)c(C)c1 ZINC000012709196 570701565 /nfs/dbraw/zinc/70/15/65/570701565.db2.gz GWQDCZANXKIOBJ-MOVYNIQHSA-N 1 1 392.543 5.148 50 0 GKAAMO COc1ccc([C@H](C)[N@H+](C)Cc2nc(-c3ccc(OC)c(C)c3)oc2C)cc1 ZINC000012710970 570702805 /nfs/dbraw/zinc/70/28/05/570702805.db2.gz SLOXJPVEQWLWOV-INIZCTEOSA-N 1 1 380.488 5.169 50 0 GKAAMO COc1ccc([C@H](C)[N@@H+](C)Cc2nc(-c3ccc(OC)c(C)c3)oc2C)cc1 ZINC000012710970 570702807 /nfs/dbraw/zinc/70/28/07/570702807.db2.gz SLOXJPVEQWLWOV-INIZCTEOSA-N 1 1 380.488 5.169 50 0 GKAAMO COc1ccc(C[NH2+][C@@H](C)c2cnn(-c3cccc4ccccc43)c2C)c(F)c1 ZINC000012713758 570703836 /nfs/dbraw/zinc/70/38/36/570703836.db2.gz DXLFRNGZJBJBAD-INIZCTEOSA-N 1 1 389.474 5.332 50 0 GKAAMO O=C(Nc1ccccc1C(F)(F)F)N[C@@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000012714867 570703932 /nfs/dbraw/zinc/70/39/32/570703932.db2.gz IHMINOLINKNHKQ-OAHLLOKOSA-N 1 1 383.458 5.014 50 0 GKAAMO CCCOc1ccccc1NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000058218684 570721365 /nfs/dbraw/zinc/72/13/65/570721365.db2.gz REJAPSCPVBOTOV-UHFFFAOYSA-N 1 1 388.511 5.360 50 0 GKAAMO COc1ccc(-c2[nH+]c3c(C)cccn3c2NC(C)(C)CC(C)(C)C)cc1OC ZINC000004382875 570726829 /nfs/dbraw/zinc/72/68/29/570726829.db2.gz WEPSZGTUJXHVHX-UHFFFAOYSA-N 1 1 395.547 5.954 50 0 GKAAMO COc1ccc([C@H](Nc2cc(C)cc[nH+]2)c2c(C)[nH]c3ccccc32)cc1OC ZINC000000956926 570738389 /nfs/dbraw/zinc/73/83/89/570738389.db2.gz BHALWJOZQZIUHM-DEOSSOPVSA-N 1 1 387.483 5.398 50 0 GKAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1sc2ccccc2c1Cl ZINC000032690944 570742193 /nfs/dbraw/zinc/74/21/93/570742193.db2.gz AVSLSDOZPVTVDT-FUHWJXTLSA-N 1 1 396.943 5.311 50 0 GKAAMO C[N@H+](CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)Cc1ccccc1 ZINC000013060764 570744772 /nfs/dbraw/zinc/74/47/72/570744772.db2.gz DNICZCFLAMVTMR-UHFFFAOYSA-N 1 1 380.875 5.203 50 0 GKAAMO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)Cc1ccccc1 ZINC000013060764 570744775 /nfs/dbraw/zinc/74/47/75/570744775.db2.gz DNICZCFLAMVTMR-UHFFFAOYSA-N 1 1 380.875 5.203 50 0 GKAAMO CCNc1nc(Nc2ccc(NC(=O)Nc3ccc(C)cc3C)cc2)cc(C)[nH+]1 ZINC000064801263 570756324 /nfs/dbraw/zinc/75/63/24/570756324.db2.gz GZHKHRKREUSGHH-UHFFFAOYSA-N 1 1 390.491 5.221 50 0 GKAAMO Cc1oc(-c2ccc3ccccc3c2)nc1C[N@@H+](C)Cc1ccc2nccnc2c1 ZINC000067561497 570781648 /nfs/dbraw/zinc/78/16/48/570781648.db2.gz BIMONUSTZUDRLP-UHFFFAOYSA-N 1 1 394.478 5.378 50 0 GKAAMO Cc1oc(-c2ccc3ccccc3c2)nc1C[N@H+](C)Cc1ccc2nccnc2c1 ZINC000067561497 570781649 /nfs/dbraw/zinc/78/16/49/570781649.db2.gz BIMONUSTZUDRLP-UHFFFAOYSA-N 1 1 394.478 5.378 50 0 GKAAMO Cc1ccc(NC(=S)N2CCC([N@H+](C)[C@H]3CCCC[C@@H]3C)CC2)cc1Cl ZINC000004668275 570814428 /nfs/dbraw/zinc/81/44/28/570814428.db2.gz QNLYQLCEEGGSRT-JXFKEZNVSA-N 1 1 394.028 5.320 50 0 GKAAMO CCOC(=O)c1sc2cccc(F)c2c1C[N@H+](C)Cc1sccc1C ZINC000014014079 570814924 /nfs/dbraw/zinc/81/49/24/570814924.db2.gz GVGGQIVNWSQVNI-UHFFFAOYSA-N 1 1 377.506 5.219 50 0 GKAAMO CCOC(=O)c1sc2cccc(F)c2c1C[N@@H+](C)Cc1sccc1C ZINC000014014079 570814929 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/nfs/dbraw/zinc/03/47/47/207034747.db2.gz WXKZPZKFUJPXHJ-OAQYLSRUSA-N 1 1 380.463 5.525 50 0 GKAAMO CCC[N@H+](Cc1nc(-c2cccc(C(F)(F)F)c2)oc1C)C[C@@H]1CCCO1 ZINC000014968592 207035136 /nfs/dbraw/zinc/03/51/36/207035136.db2.gz LKBPHJZYTPCTPL-KRWDZBQOSA-N 1 1 382.426 5.060 50 0 GKAAMO Cc1oc(-c2ccc(F)cc2F)nc1C[NH+]1CCC(Oc2ccccc2C)CC1 ZINC000015064386 207041986 /nfs/dbraw/zinc/04/19/86/207041986.db2.gz PNLXJYBGVFEGAN-UHFFFAOYSA-N 1 1 398.453 5.280 50 0 GKAAMO Fc1ccccc1CN(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000015067397 207043132 /nfs/dbraw/zinc/04/31/32/207043132.db2.gz ZFJJZZJUVRJRFD-QFIPXVFZSA-N 1 1 395.566 5.268 50 0 GKAAMO CCc1c(C)sc2c1CC[N@@H+](Cc1cc(C)ccc1C)[C@@H]2c1ccccc1 ZINC000015864871 207065511 /nfs/dbraw/zinc/06/55/11/207065511.db2.gz HYKLQUMMCYRVRI-XMMPIXPASA-N 1 1 375.581 6.383 50 0 GKAAMO Cc1ccc(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1Cl ZINC000019812591 207163342 /nfs/dbraw/zinc/16/33/42/207163342.db2.gz ZLSQHFOTCCOYBT-UHFFFAOYSA-N 1 1 390.914 5.459 50 0 GKAAMO Fc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)c(F)c1 ZINC000020997125 207222156 /nfs/dbraw/zinc/22/21/56/207222156.db2.gz ZQAXWPGQNXKPDE-CQSZACIVSA-N 1 1 389.396 5.013 50 0 GKAAMO C[C@@H]1CCCC[N@H+]1CCNc1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC000021933180 207243159 /nfs/dbraw/zinc/24/31/59/207243159.db2.gz CQPFQBJFRPAOCY-CQSZACIVSA-N 1 1 386.952 5.298 50 0 GKAAMO Cc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3cc4ccccc4s3)C2)o1 ZINC000023368448 207274936 /nfs/dbraw/zinc/27/49/36/207274936.db2.gz LQQLOTNMGYUJEG-SFHVURJKSA-N 1 1 396.556 5.111 50 0 GKAAMO Cc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3cc4ccccc4s3)C2)o1 ZINC000023368452 207275154 /nfs/dbraw/zinc/27/51/54/207275154.db2.gz LQQLOTNMGYUJEG-GOSISDBHSA-N 1 1 396.556 5.111 50 0 GKAAMO Cc1c2ccccc2oc1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCCC1 ZINC000027744135 207329919 /nfs/dbraw/zinc/32/99/19/207329919.db2.gz KZOVWGPXKYIQFI-HXUWFJFHSA-N 1 1 396.918 5.352 50 0 GKAAMO COc1cccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccc(F)cc3F)oc2C)c1 ZINC000012593848 207324615 /nfs/dbraw/zinc/32/46/15/207324615.db2.gz CHGIOVWGGSAEOA-NRFANRHFSA-N 1 1 384.426 5.274 50 0 GKAAMO COc1cccc([C@@H]2CCC[N@H+]2Cc2nc(-c3ccc(F)cc3F)oc2C)c1 ZINC000012593848 207324619 /nfs/dbraw/zinc/32/46/19/207324619.db2.gz CHGIOVWGGSAEOA-NRFANRHFSA-N 1 1 384.426 5.274 50 0 GKAAMO CSc1ccc2cc(C[N@H+]3CCC[C@H](O)C3)c(-c3ccc(Cl)cc3)nc2c1 ZINC000072472837 208030478 /nfs/dbraw/zinc/03/04/78/208030478.db2.gz YGVQORYUCPEQIG-IBGZPJMESA-N 1 1 398.959 5.234 50 0 GKAAMO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000096005659 208250574 /nfs/dbraw/zinc/25/05/74/208250574.db2.gz BKRAISJGKNFHNY-INIZCTEOSA-N 1 1 376.529 5.009 50 0 GKAAMO COc1ccc([C@@H](c2c3ccccc3[nH]c2-c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000096318767 208306884 /nfs/dbraw/zinc/30/68/84/208306884.db2.gz XJTRELBOQDTUIM-SANMLTNESA-N 1 1 398.506 5.265 50 0 GKAAMO CCc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2ccc(Cl)cc2)ccc1O ZINC000020607619 210352726 /nfs/dbraw/zinc/35/27/26/210352726.db2.gz INNVAFCCUUWNAL-GMKZXUHWSA-N 1 1 399.962 5.476 50 0 GKAAMO Cc1ncc(-c2ccc(F)cc2)c([C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)n1 ZINC000020600663 210349793 /nfs/dbraw/zinc/34/97/93/210349793.db2.gz ICNQLBTWWKXESD-QGZVFWFLSA-N 1 1 397.444 5.249 50 0 GKAAMO Cc1ccccc1C[N@H+]1CCC[C@H]1c1ccc(C(=O)Nc2ccncc2)s1 ZINC000020482002 210340507 /nfs/dbraw/zinc/34/05/07/210340507.db2.gz IBGBEJNBYOCNGS-IBGZPJMESA-N 1 1 377.513 5.041 50 0 GKAAMO O=C(CCC1CCCCC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020118328 210318297 /nfs/dbraw/zinc/31/82/97/210318297.db2.gz LGAXETHLPPPQKX-UHFFFAOYSA-N 1 1 390.571 5.281 50 0 GKAAMO CSc1cccc(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c1 ZINC000020036852 210312076 /nfs/dbraw/zinc/31/20/76/210312076.db2.gz OWNLMVNSQNQECB-UHFFFAOYSA-N 1 1 388.536 5.219 50 0 GKAAMO Fc1cccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)c1F ZINC000019635610 210277937 /nfs/dbraw/zinc/27/79/37/210277937.db2.gz IJCIJYGWMXGSKW-CQSZACIVSA-N 1 1 389.396 5.013 50 0 GKAAMO CN(c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1)C1CCCCC1 ZINC000002974827 220590227 /nfs/dbraw/zinc/59/02/27/220590227.db2.gz FUZROXNVDNYGHE-UHFFFAOYSA-N 1 1 382.511 5.856 50 0 GKAAMO C[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C(c1ccccc1)c1ccccc1 ZINC000003344848 220631335 /nfs/dbraw/zinc/63/13/35/220631335.db2.gz ZOYNWCBYKUMFFK-UHFFFAOYSA-N 1 1 398.428 5.365 50 0 GKAAMO C[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C(c1ccccc1)c1ccccc1 ZINC000003344848 220631339 /nfs/dbraw/zinc/63/13/39/220631339.db2.gz ZOYNWCBYKUMFFK-UHFFFAOYSA-N 1 1 398.428 5.365 50 0 GKAAMO COc1ccc(C[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C2CC2)cc1 ZINC000009608999 221088086 /nfs/dbraw/zinc/08/80/86/221088086.db2.gz JTSDDTUJDSWEPV-UHFFFAOYSA-N 1 1 386.495 5.112 50 0 GKAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](CCCc3ccccc3)C2)c(C)c1 ZINC000011753884 221124393 /nfs/dbraw/zinc/12/43/93/221124393.db2.gz GSVAJSBTMNMUKN-JOCHJYFZSA-N 1 1 394.559 5.067 50 0 GKAAMO Cc1oc(-c2ccccc2Cl)nc1C[N@@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC000011816449 221127565 /nfs/dbraw/zinc/12/75/65/221127565.db2.gz UNEKXDXLJXPBJW-IBGZPJMESA-N 1 1 396.918 5.485 50 0 GKAAMO Cc1oc(-c2ccccc2Cl)nc1C[N@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC000011816449 221127567 /nfs/dbraw/zinc/12/75/67/221127567.db2.gz UNEKXDXLJXPBJW-IBGZPJMESA-N 1 1 396.918 5.485 50 0 GKAAMO CSc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3c3ccccn3)c(C)o2)cc1 ZINC000011938486 221139020 /nfs/dbraw/zinc/13/90/20/221139020.db2.gz JOEKFLCLAPXXOA-NRFANRHFSA-N 1 1 379.529 5.494 50 0 GKAAMO CSc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3c3ccccn3)c(C)o2)cc1 ZINC000011938486 221139022 /nfs/dbraw/zinc/13/90/22/221139022.db2.gz JOEKFLCLAPXXOA-NRFANRHFSA-N 1 1 379.529 5.494 50 0 GKAAMO COc1cc(C)c(-c2nc(C[N@@H+](CC3CCC3)C[C@@H]3CCCO3)c(C)o2)cc1C ZINC000012443261 221196163 /nfs/dbraw/zinc/19/61/63/221196163.db2.gz SZQCXHMQSHLBGG-FQEVSTJZSA-N 1 1 398.547 5.057 50 0 GKAAMO COc1ccc([C@@H](C)[N@H+](C)Cc2nc(-c3cc(C)c(OC)cc3C)oc2C)cc1 ZINC000012583705 221210583 /nfs/dbraw/zinc/21/05/83/221210583.db2.gz MTWVVMWVYZGCGN-QGZVFWFLSA-N 1 1 394.515 5.477 50 0 GKAAMO COc1ccc([C@@H](C)[N@@H+](C)Cc2nc(-c3cc(C)c(OC)cc3C)oc2C)cc1 ZINC000012583705 221210588 /nfs/dbraw/zinc/21/05/88/221210588.db2.gz MTWVVMWVYZGCGN-QGZVFWFLSA-N 1 1 394.515 5.477 50 0 GKAAMO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+](C)Cc1cccc(Cl)c1 ZINC000013063290 221260486 /nfs/dbraw/zinc/26/04/86/221260486.db2.gz YDZCBITZSZVCNC-QGZVFWFLSA-N 1 1 378.903 5.466 50 0 GKAAMO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000013063290 221260490 /nfs/dbraw/zinc/26/04/90/221260490.db2.gz YDZCBITZSZVCNC-QGZVFWFLSA-N 1 1 378.903 5.466 50 0 GKAAMO COc1ccc([C@@H]2CCCCC[N@H+]2[C@@H](C)c2nnc(-c3ccccc3)o2)cc1 ZINC000014066800 221297700 /nfs/dbraw/zinc/29/77/00/221297700.db2.gz DQCSMRNKPJZMOD-UWJYYQICSA-N 1 1 377.488 5.424 50 0 GKAAMO CC(=O)c1cccc(NC(=O)[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)c2ccccc2)c1 ZINC000014142221 221301240 /nfs/dbraw/zinc/30/12/40/221301240.db2.gz AYSBFRKBMPFVKP-QMHKHESXSA-N 1 1 390.458 5.059 50 0 GKAAMO O=C1CC[C@H]([N@H+]2CC[C@@H]3CCCC[C@H]3C2)CCN1Cc1ccc2ccccc2c1 ZINC000014960757 221320561 /nfs/dbraw/zinc/32/05/61/221320561.db2.gz DOFQGSKQSATEIK-HVCNVCAESA-N 1 1 390.571 5.233 50 0 GKAAMO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000016355672 221360961 /nfs/dbraw/zinc/36/09/61/221360961.db2.gz CIMIYIQXQJIIHM-LJQANCHMSA-N 1 1 383.879 5.126 50 0 GKAAMO CCOc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000016355672 221360963 /nfs/dbraw/zinc/36/09/63/221360963.db2.gz CIMIYIQXQJIIHM-LJQANCHMSA-N 1 1 383.879 5.126 50 0 GKAAMO Fc1ccccc1COc1ccc(Cl)cc1C[NH2+]Cc1ccccc1Cl ZINC000016449721 221363726 /nfs/dbraw/zinc/36/37/26/221363726.db2.gz CSDHXIMFEADMBN-UHFFFAOYSA-N 1 1 390.285 6.001 50 0 GKAAMO Clc1cccc2ccc(N3CCC[C@H](c4[nH+]ccn4CC4CCC4)C3)nc12 ZINC000095500149 136179979 /nfs/dbraw/zinc/17/99/79/136179979.db2.gz AXXVBUOLHJBYEI-SFHVURJKSA-N 1 1 380.923 5.269 50 0 GKAAMO COc1cccc(Cn2cccc2C[N@@H+](Cc2ccccc2C)[C@@H](C)C(C)C)c1 ZINC000035841128 221834109 /nfs/dbraw/zinc/83/41/09/221834109.db2.gz QXQUUZLQFOKNRV-QFIPXVFZSA-N 1 1 390.571 5.900 50 0 GKAAMO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@@H]2c2cccn2C)c1 ZINC000057281186 222030129 /nfs/dbraw/zinc/03/01/29/222030129.db2.gz FHVSZSPDDLNBLU-RPWUZVMVSA-N 1 1 387.527 5.159 50 0 GKAAMO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@H]2c2cccn2C)c1 ZINC000057281186 222030134 /nfs/dbraw/zinc/03/01/34/222030134.db2.gz FHVSZSPDDLNBLU-RPWUZVMVSA-N 1 1 387.527 5.159 50 0 GKAAMO Fc1ccc(C([NH2+]C2CCN(Cc3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000057369839 222031990 /nfs/dbraw/zinc/03/19/90/222031990.db2.gz RVQLZCSNWOLBAE-UHFFFAOYSA-N 1 1 392.493 5.308 50 0 GKAAMO O=C(CCC[N@@H+]1C=C(c2ccccc2)c2ccccc2CC1)c1ccc(F)cc1 ZINC000049992040 222001880 /nfs/dbraw/zinc/00/18/80/222001880.db2.gz XDJKETZURHVDBQ-UHFFFAOYSA-N 1 1 385.482 5.736 50 0 GKAAMO COc1cc(C[N@H+](Cc2sccc2C)Cc2ccccn2)cc(Cl)c1O ZINC000055575736 222022568 /nfs/dbraw/zinc/02/25/68/222022568.db2.gz CKKPQIZVVLTKAG-UHFFFAOYSA-N 1 1 388.920 5.022 50 0 GKAAMO COc1cc(C[N@@H+](Cc2sccc2C)Cc2ccccn2)cc(Cl)c1O ZINC000055575736 222022570 /nfs/dbraw/zinc/02/25/70/222022570.db2.gz CKKPQIZVVLTKAG-UHFFFAOYSA-N 1 1 388.920 5.022 50 0 GKAAMO Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000058160727 222042586 /nfs/dbraw/zinc/04/25/86/222042586.db2.gz CGXTVBQOHLLUCI-AWEZNQCLSA-N 1 1 379.331 5.715 50 0 GKAAMO Oc1cc(-c2ccc(Cl)cn2)cc2c1OCC[N@H+](C/C=C/c1ccccc1)C2 ZINC000067886590 222165617 /nfs/dbraw/zinc/16/56/17/222165617.db2.gz IETSIJVGSCZHFL-QPJJXVBHSA-N 1 1 392.886 5.015 50 0 GKAAMO Oc1cc(-c2ccc(Cl)cn2)cc2c1OCC[N@@H+](C/C=C/c1ccccc1)C2 ZINC000067886590 222165620 /nfs/dbraw/zinc/16/56/20/222165620.db2.gz IETSIJVGSCZHFL-QPJJXVBHSA-N 1 1 392.886 5.015 50 0 GKAAMO FC(F)(F)c1cccc(-c2noc(C3C[NH+](Cc4ccccc4Cl)C3)n2)c1 ZINC000077191114 222276012 /nfs/dbraw/zinc/27/60/12/222276012.db2.gz IHQUQXBOSKRLLX-UHFFFAOYSA-N 1 1 393.796 5.008 50 0 GKAAMO O=C(Nc1cccc(Cl)c1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019761807 570216913 /nfs/dbraw/zinc/21/69/13/570216913.db2.gz OBKZIWKGFXKOHR-UHFFFAOYSA-N 1 1 376.887 5.151 50 0 GKAAMO Cc1c(Cl)cccc1NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019812664 570221691 /nfs/dbraw/zinc/22/16/91/570221691.db2.gz ZYADRAHVVZXTNZ-UHFFFAOYSA-N 1 1 390.914 5.459 50 0 GKAAMO CSc1ccccc1NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019832114 570223860 /nfs/dbraw/zinc/22/38/60/570223860.db2.gz SAYNTFISQZSNQB-UHFFFAOYSA-N 1 1 388.536 5.219 50 0 GKAAMO C[N@H+]1[C@@H](CC(=O)Nc2ccc(Cl)cc2Cl)c2ccccc2CC1(C)C ZINC000000813344 570224960 /nfs/dbraw/zinc/22/49/60/570224960.db2.gz KYSHZPJVXBNION-SFHVURJKSA-N 1 1 377.315 5.330 50 0 GKAAMO Cc1cccc(C[N@@H+](C)CCO[C@H](c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000085406289 570225893 /nfs/dbraw/zinc/22/58/93/570225893.db2.gz ORPXSOIWLSNRCR-XMMPIXPASA-N 1 1 379.931 5.886 50 0 GKAAMO CSc1ccc(C[N@H+](C)CC(=O)Nc2cccc(Oc3ccccc3)c2)cc1 ZINC000006083039 570238868 /nfs/dbraw/zinc/23/88/68/570238868.db2.gz OBPXOUHRUSQIMG-UHFFFAOYSA-N 1 1 392.524 5.271 50 0 GKAAMO CSc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(Oc3ccccc3)c2)cc1 ZINC000006083039 570238871 /nfs/dbraw/zinc/23/88/71/570238871.db2.gz OBPXOUHRUSQIMG-UHFFFAOYSA-N 1 1 392.524 5.271 50 0 GKAAMO C[N@@H+](Cc1ccccc1NC(=O)c1ccccc1C(F)(F)F)C1CCCCC1 ZINC000048342823 570239997 /nfs/dbraw/zinc/23/99/97/570239997.db2.gz RLDXFXJVIVPCSO-UHFFFAOYSA-N 1 1 390.449 5.722 50 0 GKAAMO Fc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c(F)c1 ZINC000020138493 570242331 /nfs/dbraw/zinc/24/23/31/570242331.db2.gz RTJTTWQXCDMBIS-CYBMUJFWSA-N 1 1 389.396 5.013 50 0 GKAAMO Fc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3c(F)ccc(F)c3F)C2)c1 ZINC000020149414 570244285 /nfs/dbraw/zinc/24/42/85/570244285.db2.gz HDEBCFACFHJUJF-CQSZACIVSA-N 1 1 389.396 5.013 50 0 GKAAMO Fc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](Cc3c(F)ccc(F)c3F)C2)c1 ZINC000020149414 570244286 /nfs/dbraw/zinc/24/42/86/570244286.db2.gz HDEBCFACFHJUJF-CQSZACIVSA-N 1 1 389.396 5.013 50 0 GKAAMO O[C@H](C[N@H+]1CCc2sccc2[C@H]1c1cccs1)c1ccc(Cl)cc1 ZINC000247800235 570246218 /nfs/dbraw/zinc/24/62/18/570246218.db2.gz UVSZGDFFYYPRTA-APWZRJJASA-N 1 1 375.946 5.144 50 0 GKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCC[C@@H](C)C2)cc1 ZINC000001447639 570263414 /nfs/dbraw/zinc/26/34/14/570263414.db2.gz AUUUMGOHCATHKD-GOSISDBHSA-N 1 1 398.510 5.332 50 0 GKAAMO CCCCC[N@@H+](C)Cc1csc(-c2cccc(-c3cccc(OCC)c3)c2)n1 ZINC000023321841 570268041 /nfs/dbraw/zinc/26/80/41/570268041.db2.gz GAHXDPSLWYKMAD-UHFFFAOYSA-N 1 1 394.584 6.498 50 0 GKAAMO C[C@@H](C[N@@H+](C)Cc1ccccc1)OC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 ZINC000002180637 570277160 /nfs/dbraw/zinc/27/71/60/570277160.db2.gz ZSYNVNGIZNPTJT-IBGZPJMESA-N 1 1 395.587 5.959 50 0 GKAAMO Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@@H](COc2cccc(C)c2)C1 ZINC000020916840 570284692 /nfs/dbraw/zinc/28/46/92/570284692.db2.gz QRTGOAHQJXNXEJ-GOSISDBHSA-N 1 1 382.529 5.311 50 0 GKAAMO Cc1ccc(NC(=O)C[N@@H+](C)[C@H](c2ccccc2)c2ccc(F)cc2)cc1C ZINC000012892944 570286531 /nfs/dbraw/zinc/28/65/31/570286531.db2.gz PIMQODYHYSASLK-XMMPIXPASA-N 1 1 376.475 5.102 50 0 GKAAMO Cc1ccc(NC(=O)C[N@H+](C)[C@H](c2ccccc2)c2ccc(F)cc2)cc1C ZINC000012892944 570286532 /nfs/dbraw/zinc/28/65/32/570286532.db2.gz PIMQODYHYSASLK-XMMPIXPASA-N 1 1 376.475 5.102 50 0 GKAAMO Cc1ccc(NC(=O)C[N@@H+](C)[C@@H](c2ccccc2)c2ccc(F)cc2)cc1C ZINC000012892936 570286594 /nfs/dbraw/zinc/28/65/94/570286594.db2.gz PIMQODYHYSASLK-DEOSSOPVSA-N 1 1 376.475 5.102 50 0 GKAAMO Cc1ccc(NC(=O)C[N@H+](C)[C@@H](c2ccccc2)c2ccc(F)cc2)cc1C ZINC000012892936 570286596 /nfs/dbraw/zinc/28/65/96/570286596.db2.gz PIMQODYHYSASLK-DEOSSOPVSA-N 1 1 376.475 5.102 50 0 GKAAMO c1ccc(Oc2cccc(CN3CCC([N@H+]4CCc5ccccc5C4)CC3)c2)cc1 ZINC000002734449 570296636 /nfs/dbraw/zinc/29/66/36/570296636.db2.gz ZXXBDTLGWFTBAV-UHFFFAOYSA-N 1 1 398.550 5.502 50 0 GKAAMO Cc1ccc(C(=O)N2C[C@@H](C[N@H+](C)C3CCCCC3)[C@@H](c3ccccc3)C2)cc1 ZINC000034697643 570298824 /nfs/dbraw/zinc/29/88/24/570298824.db2.gz XWJLQGMZKSNDGA-ILBGXUMGSA-N 1 1 390.571 5.115 50 0 GKAAMO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000012935058 570308854 /nfs/dbraw/zinc/30/88/54/570308854.db2.gz DFVVYUNSTIWYEF-IBGZPJMESA-N 1 1 383.879 5.126 50 0 GKAAMO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000012935058 570308856 /nfs/dbraw/zinc/30/88/56/570308856.db2.gz DFVVYUNSTIWYEF-IBGZPJMESA-N 1 1 383.879 5.126 50 0 GKAAMO c1[nH]c2ccccc2c1CCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022576388 570322199 /nfs/dbraw/zinc/32/21/99/570322199.db2.gz WITHESXLXQKZKE-UHFFFAOYSA-N 1 1 395.550 5.118 50 0 GKAAMO CC[C@H](C)NC(=O)[C@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000034739893 570327275 /nfs/dbraw/zinc/32/72/75/570327275.db2.gz VVJMFUZZRXYGJP-RBDMOPTHSA-N 1 1 384.951 5.208 50 0 GKAAMO CCCC[N@@H+](C)C[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000003138240 570330383 /nfs/dbraw/zinc/33/03/83/570330383.db2.gz FVYIMPLVUUSCJL-INIZCTEOSA-N 1 1 379.331 5.194 50 0 GKAAMO COc1cc(-c2ccc(C)cc2)cc2c1OCC[N@@H+](Cc1sccc1C)C2 ZINC000014961102 570347306 /nfs/dbraw/zinc/34/73/06/570347306.db2.gz GNIMIYRWWGDVBF-UHFFFAOYSA-N 1 1 379.525 5.435 50 0 GKAAMO Oc1ccc(C2=CC[N@@H+](Cc3c(-c4ccccc4)nc4sccn34)CC2)cc1 ZINC000023200369 570350016 /nfs/dbraw/zinc/35/00/16/570350016.db2.gz AKCIDTBAVUDYQG-UHFFFAOYSA-N 1 1 387.508 5.058 50 0 GKAAMO CC(C)(C)c1cc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)cc(C(C)(C)C)c1O ZINC000003681007 570350323 /nfs/dbraw/zinc/35/03/23/570350323.db2.gz YAGUEYUFTYXHLF-UHFFFAOYSA-N 1 1 395.562 6.416 50 0 GKAAMO CC[N@H+]1CCC[C@@H](OC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)C1 ZINC000004863430 570350451 /nfs/dbraw/zinc/35/04/51/570350451.db2.gz NNYLKITWDDAHQO-MRXNPFEDSA-N 1 1 394.902 5.196 50 0 GKAAMO CCCCn1c2ccccc2n2cc(C[N@@H+](C)C34CC5CC(CC(C5)C3)C4)nc21 ZINC000004007239 570354071 /nfs/dbraw/zinc/35/40/71/570354071.db2.gz PGFASMFJCWJHTA-UHFFFAOYSA-N 1 1 390.575 5.490 50 0 GKAAMO CCOC(=O)c1cccc(Nc2c3cc(Cl)ccc3[nH+]c3c2CCCC3)c1 ZINC000004924042 570370634 /nfs/dbraw/zinc/37/06/34/570370634.db2.gz XTXSBNQOZXFMRO-UHFFFAOYSA-N 1 1 380.875 5.687 50 0 GKAAMO CCOC(=O)CC1=CC(SCc2cc(C)ccc2C)=[NH+]c2ccccc2N1 ZINC000035480714 570372591 /nfs/dbraw/zinc/37/25/91/570372591.db2.gz LKENRYSJSXSVAZ-UHFFFAOYSA-N 1 1 380.513 5.529 50 0 GKAAMO Cc1ccccc1-c1noc(C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)n1 ZINC000023990150 570376284 /nfs/dbraw/zinc/37/62/84/570376284.db2.gz FYJUUDVGFHMHGG-MRXNPFEDSA-N 1 1 390.512 5.034 50 0 GKAAMO Cc1ccc(NC(=O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1Cl ZINC000004966447 570383701 /nfs/dbraw/zinc/38/37/01/570383701.db2.gz AYXSDWCRFKGLOM-UHFFFAOYSA-N 1 1 399.947 5.076 50 0 GKAAMO COc1ccc(C[N@@H+](Cc2nc3ccccc3o2)[C@@H](C)Cc2cccs2)cc1 ZINC000024892682 570397849 /nfs/dbraw/zinc/39/78/49/570397849.db2.gz ISETZIVDTGKFDB-KRWDZBQOSA-N 1 1 392.524 5.531 50 0 GKAAMO CC[NH+](CC)c1ccc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)cc1 ZINC000005021709 570398301 /nfs/dbraw/zinc/39/83/01/570398301.db2.gz BQWRJKCVSMSKAW-UHFFFAOYSA-N 1 1 393.494 5.482 50 0 GKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc2c(s1)-c1c(C)cccc1OC2 ZINC000005048739 570406252 /nfs/dbraw/zinc/40/62/52/570406252.db2.gz SNPZAPUHUAJKBU-SFHVURJKSA-N 1 1 398.572 5.000 50 0 GKAAMO CCOc1ccc(C[N@@H+](CCc2ccc3c(c2)OCO3)Cc2ccccc2)cc1 ZINC000004904198 570416701 /nfs/dbraw/zinc/41/67/01/570416701.db2.gz ZKOPICUJOZTLHU-UHFFFAOYSA-N 1 1 389.495 5.059 50 0 GKAAMO Cc1cccc(Cn2cccc2C[N@H+](CCC(C)C)Cc2ccccc2F)c1 ZINC000005100382 570416837 /nfs/dbraw/zinc/41/68/37/570416837.db2.gz FIMAHMUFBZWSGY-UHFFFAOYSA-N 1 1 378.535 6.032 50 0 GKAAMO Oc1cccc(-c2[nH+]c3ccc(Br)cn3c2NCc2ccccc2)c1 ZINC000035702964 570423388 /nfs/dbraw/zinc/42/33/88/570423388.db2.gz CCVZSJCWTDKLAI-UHFFFAOYSA-N 1 1 394.272 5.082 50 0 GKAAMO COc1cc(C[N@@H+]2CCCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)cc(OC)c1 ZINC000005032546 570425208 /nfs/dbraw/zinc/42/52/08/570425208.db2.gz BLRGRLRLFABAPM-DEOSSOPVSA-N 1 1 390.527 5.250 50 0 GKAAMO COc1cc(C[N@H+]2CCCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)cc(OC)c1 ZINC000005032546 570425210 /nfs/dbraw/zinc/42/52/10/570425210.db2.gz BLRGRLRLFABAPM-DEOSSOPVSA-N 1 1 390.527 5.250 50 0 GKAAMO Cc1c2ccccc2oc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCCC1 ZINC000027744145 570441192 /nfs/dbraw/zinc/44/11/92/570441192.db2.gz KZOVWGPXKYIQFI-FQEVSTJZSA-N 1 1 396.918 5.352 50 0 GKAAMO C[NH+](C)[C@@H](CNC(=O)c1sc2ccccc2c1Cl)c1ccccc1Cl ZINC000028287547 570454645 /nfs/dbraw/zinc/45/46/45/570454645.db2.gz PGRCPEBNOHLXOQ-HNNXBMFYSA-N 1 1 393.339 5.241 50 0 GKAAMO CCOc1ccc(Oc2ccc(NC(=O)C[N@@H+](C)C3CCCCC3)cc2)cc1 ZINC000006510070 570462421 /nfs/dbraw/zinc/46/24/21/570462421.db2.gz LFXADSGOEIDZNC-UHFFFAOYSA-N 1 1 382.504 5.081 50 0 GKAAMO CC(C)CC[N@@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(F)c1 ZINC000035841005 570463432 /nfs/dbraw/zinc/46/34/32/570463432.db2.gz RGQXMEJJOIIIBT-UHFFFAOYSA-N 1 1 382.498 5.863 50 0 GKAAMO Cc1ccc(C[N@@H+](Cc2cccn2Cc2ccccc2C)Cc2ccccc2)cc1 ZINC000035841100 570463880 /nfs/dbraw/zinc/46/38/80/570463880.db2.gz GKILOOFTTIDBCP-UHFFFAOYSA-N 1 1 394.562 6.356 50 0 GKAAMO Cc1ccccc1Cn1cccc1C[N@@H+](Cc1cccc(F)c1)[C@@H](C)C(C)C ZINC000035841110 570463986 /nfs/dbraw/zinc/46/39/86/570463986.db2.gz OGGLOOZTDZOEEG-NRFANRHFSA-N 1 1 378.535 6.031 50 0 GKAAMO Cc1ccccc1C[N@@H+](Cc1cccn1Cc1cccc(F)c1)C1CCCCC1 ZINC000035841115 570464060 /nfs/dbraw/zinc/46/40/60/570464060.db2.gz DHMMYBKSAAHYBD-UHFFFAOYSA-N 1 1 390.546 6.319 50 0 GKAAMO CC(C)[C@@H](C)[N@@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(Cl)c1 ZINC000035843769 570464331 /nfs/dbraw/zinc/46/43/31/570464331.db2.gz AHYISSHOCDSJBD-LJQANCHMSA-N 1 1 398.953 6.376 50 0 GKAAMO C[N@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)[C@H]1CCc2ccccc21 ZINC000029482769 570474650 /nfs/dbraw/zinc/47/46/50/570474650.db2.gz KEIDOFDUDVQIRM-INIZCTEOSA-N 1 1 383.706 5.205 50 0 GKAAMO C[N@@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)[C@H]1CCc2ccccc21 ZINC000029482769 570474652 /nfs/dbraw/zinc/47/46/52/570474652.db2.gz KEIDOFDUDVQIRM-INIZCTEOSA-N 1 1 383.706 5.205 50 0 GKAAMO CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CC[N@H+]1Cc1cccc(F)c1 ZINC000005190349 570499050 /nfs/dbraw/zinc/49/90/50/570499050.db2.gz UCEGOWGVZLOCAE-QTJGBDASSA-N 1 1 383.507 5.093 50 0 GKAAMO Cc1[nH]c2ccccc2c1[C@H](Nc1[nH+]cccc1C)c1ccc(C(F)(F)F)cc1 ZINC000002708440 570506635 /nfs/dbraw/zinc/50/66/35/570506635.db2.gz ONAJGXQXPNALTF-OAQYLSRUSA-N 1 1 395.428 6.400 50 0 GKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000002714733 570509297 /nfs/dbraw/zinc/50/92/97/570509297.db2.gz CPOBJOIMBCWLQI-PMACEKPBSA-N 1 1 396.538 5.878 50 0 GKAAMO Clc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCCCC2)c1 ZINC000002714643 570509385 /nfs/dbraw/zinc/50/93/85/570509385.db2.gz HJTGGPUHWINHPT-UHFFFAOYSA-N 1 1 388.902 5.731 50 0 GKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC2CCCCC2)cc1 ZINC000002714977 570509751 /nfs/dbraw/zinc/50/97/51/570509751.db2.gz FAILVJOPRJZFSE-UHFFFAOYSA-N 1 1 382.511 6.141 50 0 GKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC2CCCCC2)cc1 ZINC000002715147 570509802 /nfs/dbraw/zinc/50/98/02/570509802.db2.gz OEOHMDYAWFFAMB-UHFFFAOYSA-N 1 1 398.510 5.841 50 0 GKAAMO Cc1ccc(NC(=O)[C@@H]([NH2+][C@H](C)c2ccccc2)c2ccccc2)cc1Cl ZINC000006638976 570513119 /nfs/dbraw/zinc/51/31/19/570513119.db2.gz XJKPJWJLCXMMDQ-VGSWGCGISA-N 1 1 378.903 5.679 50 0 GKAAMO CCOC(=O)Cn1cc(C[N@H+]2CCCCC[C@H]2c2cccs2)c2ccccc21 ZINC000033087063 570519448 /nfs/dbraw/zinc/51/94/48/570519448.db2.gz SAZWKUDQMBYFJZ-NRFANRHFSA-N 1 1 396.556 5.383 50 0 GKAAMO CCNc1nc(Nc2ccc(NC(=O)c3cccc4ccccc43)cc2)cc(C)[nH+]1 ZINC000064800782 570547638 /nfs/dbraw/zinc/54/76/38/570547638.db2.gz OTXMKHOLLQZVAQ-UHFFFAOYSA-N 1 1 397.482 5.366 50 0 GKAAMO Clc1ccc(OCCCC[N@H+]2CCCC[C@H]2c2cccnc2)c(Cl)c1 ZINC000006719407 570548048 /nfs/dbraw/zinc/54/80/48/570548048.db2.gz CTLQOGDOXJLDLY-IBGZPJMESA-N 1 1 379.331 5.775 50 0 biogenic GKAAMO C[N@@H+](Cc1cccc(Cl)c1)C1CCN(C(=O)Nc2ccccc2Cl)CC1 ZINC000006750541 570568319 /nfs/dbraw/zinc/56/83/19/570568319.db2.gz FRLCDNZZDOBDGI-UHFFFAOYSA-N 1 1 392.330 5.122 50 0 GKAAMO CC(C)(c1ccc(Br)cc1)[N@H+](Cc1nccn1C(F)F)C1CCC1 ZINC000225423548 570572527 /nfs/dbraw/zinc/57/25/27/570572527.db2.gz IYQRFVOJQXONJT-UHFFFAOYSA-N 1 1 398.295 5.331 50 0 GKAAMO CC(C)(c1ccc(Br)cc1)[N@@H+](Cc1nccn1C(F)F)C1CCC1 ZINC000225423548 570572529 /nfs/dbraw/zinc/57/25/29/570572529.db2.gz IYQRFVOJQXONJT-UHFFFAOYSA-N 1 1 398.295 5.331 50 0 GKAAMO Cc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2C(F)(F)F)cc1C ZINC000037522484 570572877 /nfs/dbraw/zinc/57/28/77/570572877.db2.gz UFGKNYZIXSUDCI-QHCPKHFHSA-N 1 1 398.472 6.119 50 0 GKAAMO C[N@H+]1CCCC[C@H]1Cn1cc(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21 ZINC000038465932 570579180 /nfs/dbraw/zinc/57/91/80/570579180.db2.gz JRECAXBHMULNJQ-MOVGKWKRSA-N 1 1 390.571 5.525 50 0 in-vitro GKAAMO COc1ccc(OC2CC[NH+](Cc3nc(-c4cccc(C)c4)oc3C)CC2)cc1 ZINC000011700528 570579956 /nfs/dbraw/zinc/57/99/56/570579956.db2.gz GYPBYKDWAYVLJY-UHFFFAOYSA-N 1 1 392.499 5.010 50 0 GKAAMO COc1cccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)c1 ZINC000042915167 570623867 /nfs/dbraw/zinc/62/38/67/570623867.db2.gz TWIHFUGPPGEEDD-GOSISDBHSA-N 1 1 381.907 5.118 50 0 GKAAMO Cc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)o1 ZINC000043004941 570624892 /nfs/dbraw/zinc/62/48/92/570624892.db2.gz FBWJNHHXRKMOQI-INIZCTEOSA-N 1 1 389.421 5.377 50 0 GKAAMO Oc1cc(-c2nc3ccccc3s2)cc2c1OCC[N@@H+](C[C@H]1CC=CCC1)C2 ZINC000012209442 570626694 /nfs/dbraw/zinc/62/66/94/570626694.db2.gz KXGOHKLMTDUCGL-INIZCTEOSA-N 1 1 392.524 5.220 50 0 GKAAMO Cc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000036347333 570628765 /nfs/dbraw/zinc/62/87/65/570628765.db2.gz JZPGWRZLONRHNB-JOCHJYFZSA-N 1 1 384.445 5.811 50 0 GKAAMO CCOc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccc(C(C)C)cc2)cc1 ZINC000036347751 570630340 /nfs/dbraw/zinc/63/03/40/570630340.db2.gz RIJNJSBHQNIIEB-AREMUKBSSA-N 1 1 388.555 6.006 50 0 GKAAMO CCOc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccc(C(C)C)cc2)cc1 ZINC000036347752 570630362 /nfs/dbraw/zinc/63/03/62/570630362.db2.gz RIJNJSBHQNIIEB-SANMLTNESA-N 1 1 388.555 6.006 50 0 GKAAMO COc1ccc(OC)c(C[N@H+]2CCCn3cccc3[C@@H]2c2cc(C)ccc2C)c1 ZINC000036348134 570630709 /nfs/dbraw/zinc/63/07/09/570630709.db2.gz RQONBWWAEZTKLP-VWLOTQADSA-N 1 1 390.527 5.117 50 0 GKAAMO CCc1ccccc1[C@H]1c2cccn2CCC[N@@H+]1Cc1cc(OC)cc(OC)c1 ZINC000036348574 570630758 /nfs/dbraw/zinc/63/07/58/570630758.db2.gz JRWJJQSSGBJAJE-VWLOTQADSA-N 1 1 390.527 5.063 50 0 GKAAMO O=C(c1ccccc1)c1ccccc1[PH+](C1CCCCC1)C1CCCCC1 ZINC000044069051 570631553 /nfs/dbraw/zinc/63/15/53/570631553.db2.gz NFAAYQZZHNIMDJ-UHFFFAOYSA-N 1 1 378.496 6.690 50 0 GKAAMO Cc1ccc([NH+]=[P@@](c2ccncc2)(N2CCCCCC2)C(C)(C)C)c(C)c1 ZINC000005570751 570657361 /nfs/dbraw/zinc/65/73/61/570657361.db2.gz JQNNKCCGBOXDJW-MHZLTWQESA-N 1 1 383.520 6.446 50 0 GKAAMO COc1ccccc1-c1[nH+]c2cc(C)cc(C)n2c1NC(C)(C)CC(C)(C)C ZINC000004608449 570661825 /nfs/dbraw/zinc/66/18/25/570661825.db2.gz UKHNZWWQMZXDEJ-UHFFFAOYSA-N 1 1 379.548 6.253 50 0 GKAAMO CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CC[N@H+]1Cc1cccc(F)c1 ZINC000013769850 570677271 /nfs/dbraw/zinc/67/72/71/570677271.db2.gz UCEGOWGVZLOCAE-QPTUXGOLSA-N 1 1 383.507 5.093 50 0 GKAAMO CCOc1ccc(-c2nc(C[N@H+]3CCC[C@H]3c3cccc(OC)c3)c(C)o2)cc1 ZINC000012573584 570681836 /nfs/dbraw/zinc/68/18/36/570681836.db2.gz YUPAMTGQBKYBNA-QHCPKHFHSA-N 1 1 392.499 5.394 50 0 GKAAMO Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@H](C)c3ccc(F)cc3F)c2)cc1 ZINC000017315989 570703983 /nfs/dbraw/zinc/70/39/83/570703983.db2.gz WMRNUMDFZNQVQZ-MRXNPFEDSA-N 1 1 380.438 5.376 50 0 GKAAMO CO[C@H]1CCC[N@H+](Cc2nc(-c3cccc(Oc4ccccc4)c3)oc2C)C1 ZINC000012762047 570711124 /nfs/dbraw/zinc/71/11/24/570711124.db2.gz XUZBEGZVXFFEAV-NRFANRHFSA-N 1 1 378.472 5.053 50 0 GKAAMO CO[C@H]1CCC[N@@H+](Cc2nc(-c3cccc(Oc4ccccc4)c3)oc2C)C1 ZINC000012762047 570711125 /nfs/dbraw/zinc/71/11/25/570711125.db2.gz XUZBEGZVXFFEAV-NRFANRHFSA-N 1 1 378.472 5.053 50 0 GKAAMO CSc1ccc(C[N@@H+](C)Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)cc1 ZINC000058159117 570712421 /nfs/dbraw/zinc/71/24/21/570712421.db2.gz YEFZNNAVSJTGMF-UHFFFAOYSA-N 1 1 381.541 5.579 50 0 GKAAMO CC[N@@H+](Cc1ccc(C(=O)N[C@@H](c2ccco2)c2ccccc2)cc1)C(C)C ZINC000058244780 570722525 /nfs/dbraw/zinc/72/25/25/570722525.db2.gz DIWSNMHXHYKRJM-HSZRJFAPSA-N 1 1 376.500 5.029 50 0 GKAAMO CN1N=C2/C(=C/c3ccccc3)C[N@H+](Cc3ccccc3)C[C@H]2[C@@H]1c1ccccc1 ZINC000063111069 570749666 /nfs/dbraw/zinc/74/96/66/570749666.db2.gz SPPOYKISQNMIHA-GEYYJOTKSA-N 1 1 393.534 5.245 50 0 GKAAMO CCNc1nc(Nc2ccc(NC(=O)Nc3cccc(C)c3C)cc2)cc(C)[nH+]1 ZINC000064801244 570756507 /nfs/dbraw/zinc/75/65/07/570756507.db2.gz DSEVZRMRPNAFTN-UHFFFAOYSA-N 1 1 390.491 5.221 50 0 GKAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2ccccc2Cl)cc1 ZINC000013758882 570785904 /nfs/dbraw/zinc/78/59/04/570785904.db2.gz BYWHFODVRVSDOY-YMPZKCBVSA-N 1 1 385.935 5.217 50 0 GKAAMO COc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CC[N@H+]1Cc1ccccc1Cl ZINC000013759358 570786249 /nfs/dbraw/zinc/78/62/49/570786249.db2.gz BUZOOTVRWDNERF-WWPVKYPJSA-N 1 1 385.935 5.217 50 0 GKAAMO O=C1C2=C(CCCC2)[C@H]([NH2+]Cc2ccc(F)cc2)N1[C@H]1CCCc2ccccc21 ZINC000013940367 570807036 /nfs/dbraw/zinc/80/70/36/570807036.db2.gz NRUUXPMTCSCTPL-BJKOFHAPSA-N 1 1 390.502 5.032 50 0 GKAAMO C[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C(=S)Nc2cccc(Cl)c2)CC1 ZINC000004668306 570814815 /nfs/dbraw/zinc/81/48/15/570814815.db2.gz FKTQWQHUUZIQEN-HNAYVOBHSA-N 1 1 380.001 5.012 50 0 GKAAMO Cc1c(Cl)cccc1NC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC000033140096 570826325 /nfs/dbraw/zinc/82/63/25/570826325.db2.gz UFLUYBYMOLAYSU-UHFFFAOYSA-N 1 1 391.902 5.808 50 0 GKAAMO Cc1c(Cl)cccc1NC(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC000033140096 570826328 /nfs/dbraw/zinc/82/63/28/570826328.db2.gz UFLUYBYMOLAYSU-UHFFFAOYSA-N 1 1 391.902 5.808 50 0 GKAAMO CC(C)(C)c1cc(C[N@@H+]2CC=C(c3ccccc3)CC2)cc(C(C)(C)C)c1O ZINC000003292794 570852946 /nfs/dbraw/zinc/85/29/46/570852946.db2.gz YNQSTYMXSDATDX-UHFFFAOYSA-N 1 1 377.572 6.277 50 0 GKAAMO CCCC[N@@H+](CCCNC(=O)CSCc1ccc(C)cc1)Cc1ccccc1 ZINC000004709068 570855405 /nfs/dbraw/zinc/85/54/05/570855405.db2.gz ZMOPIJURKXSXQX-UHFFFAOYSA-N 1 1 398.616 5.037 50 0 GKAAMO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)c(C)c2nc1Cl ZINC000014814137 570861106 /nfs/dbraw/zinc/86/11/06/570861106.db2.gz HMWVQBWBQSIJFI-UHFFFAOYSA-N 1 1 382.891 5.256 50 0 GKAAMO CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)c(C)c2nc1Cl ZINC000014814137 570861109 /nfs/dbraw/zinc/86/11/09/570861109.db2.gz HMWVQBWBQSIJFI-UHFFFAOYSA-N 1 1 382.891 5.256 50 0 GKAAMO O=C1CC[C@@H]([N@H+]2CC[C@@H]3CCCC[C@H]3C2)CCN1Cc1ccc2ccccc2c1 ZINC000014960753 570866745 /nfs/dbraw/zinc/86/67/45/570866745.db2.gz DOFQGSKQSATEIK-ZKMPZPQNSA-N 1 1 390.571 5.233 50 0 GKAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(Oc2ccc(C)cc2OC)n1 ZINC000003459027 570870161 /nfs/dbraw/zinc/87/01/61/570870161.db2.gz GDNAQLARZFDAHG-UHFFFAOYSA-N 1 1 385.533 5.259 50 0 GKAAMO Fc1ccc(C[N@@H+]2CCC[C@@]3(CCN(c4nc5ccccc5s4)C3)C2)cc1F ZINC000072146492 570871433 /nfs/dbraw/zinc/87/14/33/570871433.db2.gz DLPUMOOQMLOVSO-JOCHJYFZSA-N 1 1 399.510 5.067 50 0 GKAAMO Fc1ccc(C[N@H+]2CCC[C@@]3(CCN(c4nc5ccccc5s4)C3)C2)cc1F ZINC000072146492 570871438 /nfs/dbraw/zinc/87/14/38/570871438.db2.gz DLPUMOOQMLOVSO-JOCHJYFZSA-N 1 1 399.510 5.067 50 0 GKAAMO C[C@H](c1nnc(-c2ccccc2)o1)[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012568046 570871982 /nfs/dbraw/zinc/87/19/82/570871982.db2.gz ZRMOYBFYPALLGV-NVXWUHKLSA-N 1 1 390.512 5.287 50 0 GKAAMO CNc1nc(C[N@H+]2CCC[C@H](CCc3cccc(C(F)(F)F)c3)C2)cs1 ZINC000072171124 570877585 /nfs/dbraw/zinc/87/75/85/570877585.db2.gz UDTYSMPDIJYGPK-OAHLLOKOSA-N 1 1 383.483 5.048 50 0 GKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2c(Cl)cccc2Cl)N3)C1 ZINC000004554061 570880698 /nfs/dbraw/zinc/88/06/98/570880698.db2.gz ZQRDBJYKDHZHEK-MRXNPFEDSA-N 1 1 396.343 5.250 50 0 GKAAMO Cc1ccc2c(CC(=O)Nc3ccccc3C[N@H+](C)C3CCCCC3)coc2c1 ZINC000032894175 570890936 /nfs/dbraw/zinc/89/09/36/570890936.db2.gz KFICNSNKIKZULR-UHFFFAOYSA-N 1 1 390.527 5.687 50 0 GKAAMO Cc1cccc(Cn2cccc2C[N@@H+](Cc2cccc(F)c2F)[C@H](C)C(C)C)c1 ZINC000004735738 570949842 /nfs/dbraw/zinc/94/98/42/570949842.db2.gz LSDNCVFVCJTSAR-HXUWFJFHSA-N 1 1 396.525 6.170 50 0 GKAAMO Cc1cccc(C)c1NC(=O)C[NH2+][C@H](c1cccs1)c1ccc(C(C)C)cc1 ZINC000012755353 571007169 /nfs/dbraw/zinc/00/71/69/571007169.db2.gz RQTGKUNIXOWOEG-DEOSSOPVSA-N 1 1 392.568 5.806 50 0 GKAAMO Cc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2cccc(C(F)(F)F)c2)cc1C ZINC000037522278 571023498 /nfs/dbraw/zinc/02/34/98/571023498.db2.gz ACSVAICOMRWMJR-QHCPKHFHSA-N 1 1 398.472 6.119 50 0 GKAAMO Cc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cccc(C(F)(F)F)c2)cc1C ZINC000037522278 571023501 /nfs/dbraw/zinc/02/35/01/571023501.db2.gz ACSVAICOMRWMJR-QHCPKHFHSA-N 1 1 398.472 6.119 50 0 GKAAMO c1coc(C[N@@H+]2CCCn3cccc3[C@@H]2c2cccc(Oc3ccccc3)c2)c1 ZINC000037522382 571024138 /nfs/dbraw/zinc/02/41/38/571024138.db2.gz MCSZHUBTOGUONU-VWLOTQADSA-N 1 1 384.479 5.869 50 0 GKAAMO c1coc(C[N@H+]2CCCn3cccc3[C@@H]2c2cccc(Oc3ccccc3)c2)c1 ZINC000037522382 571024140 /nfs/dbraw/zinc/02/41/40/571024140.db2.gz MCSZHUBTOGUONU-VWLOTQADSA-N 1 1 384.479 5.869 50 0 GKAAMO COc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(C)c(C)c2)c(OC)c1 ZINC000037523151 571024432 /nfs/dbraw/zinc/02/44/32/571024432.db2.gz TXOHAZKJUYRHBU-RUZDIDTESA-N 1 1 390.527 5.117 50 0 GKAAMO CCc1ccccc1C[N@H+]1CCCn2cccc2[C@H]1c1cccc(C(F)(F)F)c1 ZINC000037523536 571025141 /nfs/dbraw/zinc/02/51/41/571025141.db2.gz LPKLCQDVHJRAJS-HSZRJFAPSA-N 1 1 398.472 6.065 50 0 GKAAMO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000012774717 571027754 /nfs/dbraw/zinc/02/77/54/571027754.db2.gz GZWXEWYGSUIVIR-IBGZPJMESA-N 1 1 398.506 5.176 50 0 GKAAMO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000012774717 571027757 /nfs/dbraw/zinc/02/77/57/571027757.db2.gz GZWXEWYGSUIVIR-IBGZPJMESA-N 1 1 398.506 5.176 50 0 GKAAMO CCc1c(C)sc2c1CC[N@H+](Cc1ccc(F)cc1Cl)[C@H]2c1ccccc1 ZINC000015864900 210176410 /nfs/dbraw/zinc/17/64/10/210176410.db2.gz MFDKRCFRFDVBEY-QFIPXVFZSA-N 1 1 399.962 6.559 50 0 GKAAMO CCc1c(C)sc2c1CC[N@@H+](Cc1ccc(F)cc1Cl)[C@H]2c1ccccc1 ZINC000015864900 210176414 /nfs/dbraw/zinc/17/64/14/210176414.db2.gz MFDKRCFRFDVBEY-QFIPXVFZSA-N 1 1 399.962 6.559 50 0 GKAAMO CCOc1ccccc1-c1nc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)c(C)o1 ZINC000015073902 210149554 /nfs/dbraw/zinc/14/95/54/210149554.db2.gz ZQNKPBCNBNRWRT-HXUWFJFHSA-N 1 1 376.500 5.428 50 0 GKAAMO CCOc1ccccc1-c1nc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)c(C)o1 ZINC000014966040 210136489 /nfs/dbraw/zinc/13/64/89/210136489.db2.gz WXKZPZKFUJPXHJ-NRFANRHFSA-N 1 1 380.463 5.525 50 0 GKAAMO CCOc1ccccc1-c1nc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)c(C)o1 ZINC000014966040 210136485 /nfs/dbraw/zinc/13/64/85/210136485.db2.gz WXKZPZKFUJPXHJ-NRFANRHFSA-N 1 1 380.463 5.525 50 0 GKAAMO COc1ccccc1[C@H](C)Nc1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000014094240 210104318 /nfs/dbraw/zinc/10/43/18/210104318.db2.gz OJBFTZIGYILRLA-HNNXBMFYSA-N 1 1 396.560 5.086 50 0 GKAAMO C[N@@H+](Cc1ccccc1NCC(=O)Nc1ccccc1Cl)C1CCCCC1 ZINC000013095653 210050144 /nfs/dbraw/zinc/05/01/44/210050144.db2.gz UYLHZAXKRUZWDL-UHFFFAOYSA-N 1 1 385.939 5.155 50 0 GKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC2CCCCCC2)cc1 ZINC000002714378 209378715 /nfs/dbraw/zinc/37/87/15/209378715.db2.gz PQWCAVXBBAOTLW-UHFFFAOYSA-N 1 1 396.538 6.531 50 0 GKAAMO Fc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCCCCC2)cc1 ZINC000002713995 209377908 /nfs/dbraw/zinc/37/79/08/209377908.db2.gz AOOFVSMSRROCLT-UHFFFAOYSA-N 1 1 386.474 5.607 50 0 GKAAMO c1ccc(C[N@H+]2CCCn3c4ccc(C5CCCCC5)cc4c4c3[C@@H]2CCC4)cc1 ZINC000002179586 209348744 /nfs/dbraw/zinc/34/87/44/209348744.db2.gz BOMULZWGJODZMX-MHZLTWQESA-N 1 1 398.594 6.972 50 0 GKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2cccs2)cc1 ZINC000001447581 209329275 /nfs/dbraw/zinc/32/92/75/209329275.db2.gz WSJRRWAQNGSBBL-UHFFFAOYSA-N 1 1 396.519 6.070 50 0 GKAAMO CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CC[N@H+]1Cc1ccccc1Cl ZINC000004084119 209231351 /nfs/dbraw/zinc/23/13/51/209231351.db2.gz CGAXGIVILAYNDK-ZTCOLXNVSA-N 1 1 399.962 5.607 50 0 GKAAMO COc1cc(-c2ccccc2C)cc2c1OCC[N@@H+](Cc1sccc1C)C2 ZINC000299788102 212036969 /nfs/dbraw/zinc/03/69/69/212036969.db2.gz PYVWMRLGJKWDSF-UHFFFAOYSA-N 1 1 379.525 5.435 50 0 GKAAMO C[N@@H+](C1CCN(C(=S)Nc2ccc(F)c(Cl)c2)CC1)C1CCCCCC1 ZINC000003061027 203984742 /nfs/dbraw/zinc/98/47/42/203984742.db2.gz HTPJVBWVHXMJAA-UHFFFAOYSA-N 1 1 397.991 5.295 50 0 GKAAMO CCCC[N@@H+](CC)Cc1ccc(CNC(=S)Nc2c(C)cc(C)cc2C)o1 ZINC000003589092 204013860 /nfs/dbraw/zinc/01/38/60/204013860.db2.gz NMRNOEIYVKKYDF-UHFFFAOYSA-N 1 1 387.593 5.313 50 0 GKAAMO Cc1ccc2nc(-c3ccc(NC(=O)C[N@@H+]4CCCC[C@H]4C)cc3)sc2c1 ZINC000003583558 204014170 /nfs/dbraw/zinc/01/41/70/204014170.db2.gz OCGQAWKDWIGXSD-MRXNPFEDSA-N 1 1 379.529 5.085 50 0 GKAAMO Cc1cccc(Cn2cccc2C[N@@H+](Cc2ccc(F)c(F)c2)[C@@H](C)C(C)C)c1 ZINC000004910157 204089887 /nfs/dbraw/zinc/08/98/87/204089887.db2.gz WMOLBJCSTOHAFT-FQEVSTJZSA-N 1 1 396.525 6.170 50 0 GKAAMO COc1cc(C[N@@H+]2CCCn3c4ccc(C)cc4c4c3[C@H]2CCC4)cc(OC)c1 ZINC000005032542 204104425 /nfs/dbraw/zinc/10/44/25/204104425.db2.gz BLRGRLRLFABAPM-XMMPIXPASA-N 1 1 390.527 5.250 50 0 GKAAMO COc1cc(C[N@H+]2CCCn3c4ccc(C)cc4c4c3[C@H]2CCC4)cc(OC)c1 ZINC000005032542 204104429 /nfs/dbraw/zinc/10/44/29/204104429.db2.gz BLRGRLRLFABAPM-XMMPIXPASA-N 1 1 390.527 5.250 50 0 GKAAMO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@H+]([C@H]1CC[C@H](C)C1)CC2 ZINC000005033053 204104690 /nfs/dbraw/zinc/10/46/90/204104690.db2.gz ISLQETMKIRTGFE-FOMLIJIXSA-N 1 1 385.935 5.493 50 0 GKAAMO Cc1ccc(NC(=O)[C@H](Nc2ccc([NH+]3CCCCC3)cc2)c2ccccc2)cc1 ZINC000008135314 204263435 /nfs/dbraw/zinc/26/34/35/204263435.db2.gz RBEQFGBJHWDXIP-RUZDIDTESA-N 1 1 399.538 5.777 50 0 GKAAMO C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000008393072 204275389 /nfs/dbraw/zinc/27/53/89/204275389.db2.gz JGESOAKGKHUWGS-SFHVURJKSA-N 1 1 392.930 5.066 50 0 GKAAMO C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000008393072 204275391 /nfs/dbraw/zinc/27/53/91/204275391.db2.gz JGESOAKGKHUWGS-SFHVURJKSA-N 1 1 392.930 5.066 50 0 GKAAMO Oc1cc(-c2ccccn2)cc2c1OCC[N@H+](Cc1ccc3ccccc3c1)C2 ZINC000011913148 204360942 /nfs/dbraw/zinc/36/09/42/204360942.db2.gz KUBNINVQCXSTFD-UHFFFAOYSA-N 1 1 382.463 5.002 50 0 GKAAMO Oc1cc(-c2ccccn2)cc2c1OCC[N@@H+](Cc1ccc3ccccc3c1)C2 ZINC000011913148 204360946 /nfs/dbraw/zinc/36/09/46/204360946.db2.gz KUBNINVQCXSTFD-UHFFFAOYSA-N 1 1 382.463 5.002 50 0 GKAAMO Cc1oc(-c2ccccc2C)nc1C[N@@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC000011879868 204361142 /nfs/dbraw/zinc/36/11/42/204361142.db2.gz DETFQCIMWLTJRT-OAQYLSRUSA-N 1 1 376.500 5.140 50 0 GKAAMO Cc1oc(-c2ccccc2C)nc1C[N@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC000011879868 204361147 /nfs/dbraw/zinc/36/11/47/204361147.db2.gz DETFQCIMWLTJRT-OAQYLSRUSA-N 1 1 376.500 5.140 50 0 GKAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2ccc(Cl)s2)C1)Nc1ccccc1F ZINC000011934865 204361709 /nfs/dbraw/zinc/36/17/09/204361709.db2.gz HHOVNNGBIJEGAR-CQSZACIVSA-N 1 1 380.916 5.172 50 0 GKAAMO CSc1ccccc1C(=O)[C@H]1CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000012297468 204390691 /nfs/dbraw/zinc/39/06/91/204390691.db2.gz AXXYYFALLQKXAZ-IBGZPJMESA-N 1 1 376.525 5.052 50 0 GKAAMO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000012304251 204393356 /nfs/dbraw/zinc/39/33/56/204393356.db2.gz FOBYHRYTAYOFII-LBPRGKRZSA-N 1 1 380.435 5.923 50 0 GKAAMO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@H+](C)[C@@H](C)c1cccs1 ZINC000012304251 204393360 /nfs/dbraw/zinc/39/33/60/204393360.db2.gz FOBYHRYTAYOFII-LBPRGKRZSA-N 1 1 380.435 5.923 50 0 GKAAMO Cc1ccsc1C[N@H+]1CCC[C@H](c2nc(C)ncc2-c2ccc(F)cc2)C1 ZINC000014992167 204552260 /nfs/dbraw/zinc/55/22/60/204552260.db2.gz VFSOFEUHNODUGY-SFHVURJKSA-N 1 1 381.520 5.341 50 0 GKAAMO C[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc2ccccc2c1 ZINC000022199393 204776050 /nfs/dbraw/zinc/77/60/50/204776050.db2.gz UTJIVTRJHNHZCO-UHFFFAOYSA-N 1 1 387.310 5.607 50 0 GKAAMO O=C1[C@@]2(C[C@@H]2c2ccccc2)C[N@H+](Cc2ccccc2)C[C@@]12C[C@@H]2c1ccccc1 ZINC000036496929 205018117 /nfs/dbraw/zinc/01/81/17/205018117.db2.gz MXOGLMLNAHOAEG-KECVVUEUSA-N 1 1 393.530 5.419 50 0 GKAAMO Cc1cccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000037522265 205026962 /nfs/dbraw/zinc/02/69/62/205026962.db2.gz VBCPUZUPCSCSAQ-QFIPXVFZSA-N 1 1 384.445 5.811 50 0 GKAAMO Cc1cccc(C[N@H+]2CCCn3cccc3[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000037522265 205026966 /nfs/dbraw/zinc/02/69/66/205026966.db2.gz VBCPUZUPCSCSAQ-QFIPXVFZSA-N 1 1 384.445 5.811 50 0 GKAAMO COc1cccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cc(C)cc(C)c2)c1OC ZINC000037523346 205027293 /nfs/dbraw/zinc/02/72/93/205027293.db2.gz UHMSMQXPNZLADZ-XMMPIXPASA-N 1 1 390.527 5.117 50 0 GKAAMO CCc1cc([C@@H](c2ccncc2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545927 205037908 /nfs/dbraw/zinc/03/79/08/205037908.db2.gz KNNABUAQTDQXJZ-HXUWFJFHSA-N 1 1 395.528 5.126 50 0 GKAAMO Cc1ccc(CN(Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)o1 ZINC000055227349 205144457 /nfs/dbraw/zinc/14/44/57/205144457.db2.gz RFFAIKRKDUOESG-QFIPXVFZSA-N 1 1 381.564 5.030 50 0 GKAAMO C[C@@H]([NH2+]CC(=O)Nc1ccccc1Oc1ccccc1)c1ccc(F)cc1F ZINC000057312367 205154710 /nfs/dbraw/zinc/15/47/10/205154710.db2.gz GLYBGBAPZIKEBJ-OAHLLOKOSA-N 1 1 382.410 5.046 50 0 GKAAMO Cc1ccc([C@@H]([NH2+]CC(=O)Nc2ccccc2C(F)(F)F)c2ccccc2)cc1 ZINC000057363008 205157250 /nfs/dbraw/zinc/15/72/50/205157250.db2.gz SBDXADLYNWXTJX-QFIPXVFZSA-N 1 1 398.428 5.332 50 0 GKAAMO C[C@H]([NH2+][C@H](c1cccs1)c1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000057473801 205158532 /nfs/dbraw/zinc/15/85/32/205158532.db2.gz MXCVAGBSYDQSQF-DJJJIMSYSA-N 1 1 388.895 5.247 50 0 GKAAMO CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CC[N@H+]1Cc1ccccc1Cl ZINC000002138244 209117059 /nfs/dbraw/zinc/11/70/59/209117059.db2.gz CGAXGIVILAYNDK-NKKJXINNSA-N 1 1 399.962 5.607 50 0 biogenic GKAAMO Brc1cccc(C2([NH2+]Cc3csc(C4CCCC4)n3)CCC2)c1 ZINC000071794520 205297111 /nfs/dbraw/zinc/29/71/11/205297111.db2.gz ZIYVCMAIEOQCOI-UHFFFAOYSA-N 1 1 391.378 5.732 50 0 GKAAMO CSc1ccc2cc(C[NH+]3CCOCC3)c(-c3ccc(Cl)cc3)nc2c1 ZINC000072418284 205347104 /nfs/dbraw/zinc/34/71/04/205347104.db2.gz PDOKNTYBTGEBJQ-UHFFFAOYSA-N 1 1 384.932 5.109 50 0 GKAAMO CCOc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CC[N@H+]1Cc1ccccc1Cl ZINC000004084122 206293747 /nfs/dbraw/zinc/29/37/47/206293747.db2.gz CGAXGIVILAYNDK-QDSKXPNFSA-N 1 1 399.962 5.607 50 0 biogenic GKAAMO FC(F)(F)c1cccc(C2=CC[N@@H+](CCc3ccc4ccccc4c3)CC2)c1 ZINC000000577115 206307942 /nfs/dbraw/zinc/30/79/42/206307942.db2.gz WJJYZXPHLSLMGE-UHFFFAOYSA-N 1 1 381.441 6.190 50 0 world GKAAMO CCCC[N@@H+](C)CCCN(Cc1cccs1)C(=S)Nc1ccc(C)cc1 ZINC000003665449 206492866 /nfs/dbraw/zinc/49/28/66/206492866.db2.gz CUGCUMVBOJVXPE-UHFFFAOYSA-N 1 1 389.634 5.378 50 0 GKAAMO CC[N@H+](CCC1CCN([C@H](C)c2nnc(-c3cccc(C)c3)o2)CC1)CC(C)C ZINC000095983819 211291765 /nfs/dbraw/zinc/29/17/65/211291765.db2.gz OWNUUNKJEPRBBD-HXUWFJFHSA-N 1 1 398.595 5.186 50 0 GKAAMO CC[N@@H+](CCC1CCN([C@H](C)c2nnc(-c3cccc(C)c3)o2)CC1)CC(C)C ZINC000095983819 211291771 /nfs/dbraw/zinc/29/17/71/211291771.db2.gz OWNUUNKJEPRBBD-HXUWFJFHSA-N 1 1 398.595 5.186 50 0 GKAAMO CC[N@@H+](CCC1CCN([C@@H](C)c2nnc(-c3cccc(C)c3)o2)CC1)CC(C)C ZINC000095983818 211291061 /nfs/dbraw/zinc/29/10/61/211291061.db2.gz OWNUUNKJEPRBBD-FQEVSTJZSA-N 1 1 398.595 5.186 50 0 GKAAMO CC[N@H+](CCC1CCN([C@@H](C)c2nnc(-c3cccc(C)c3)o2)CC1)CC(C)C ZINC000095983818 211291056 /nfs/dbraw/zinc/29/10/56/211291056.db2.gz OWNUUNKJEPRBBD-FQEVSTJZSA-N 1 1 398.595 5.186 50 0 GKAAMO Cc1[nH+]c2cc(Nc3nnc(-c4ccc(C)cc4)c4ccccc34)ccc2n1C ZINC000084711138 211173814 /nfs/dbraw/zinc/17/38/14/211173814.db2.gz VJZNUZOZNRBSPT-UHFFFAOYSA-N 1 1 379.467 5.544 50 0 GKAAMO FC(F)(F)c1cccc(CC[C@@H]2CCC[N@@H+](Cc3cncn3C3CC3)C2)c1 ZINC000072143552 211074752 /nfs/dbraw/zinc/07/47/52/211074752.db2.gz OOSWQAKVBMXMOV-KRWDZBQOSA-N 1 1 377.454 5.082 50 0 GKAAMO CC(C)c1ncc(C[N@H+]2CCC[C@@H](CCc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000071614120 211052249 /nfs/dbraw/zinc/05/22/49/211052249.db2.gz MXYBYEURVNATAU-SFHVURJKSA-N 1 1 391.481 5.464 50 0 GKAAMO Clc1ccc(-c2noc3c2C[N@@H+](CCc2c[nH]c4ccccc24)CC3)cc1 ZINC000067678470 211014785 /nfs/dbraw/zinc/01/47/85/211014785.db2.gz LGVHEIOEZXCMEF-UHFFFAOYSA-N 1 1 377.875 5.077 50 0 GKAAMO CC(=O)c1cccc(NC(=O)[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)c2ccccc2)c1 ZINC000014142223 207011954 /nfs/dbraw/zinc/01/19/54/207011954.db2.gz AYSBFRKBMPFVKP-HJPURHCSSA-N 1 1 390.458 5.059 50 0 GKAAMO O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@H]1CCC[N@H+](C2CCSCC2)C1 ZINC000014958716 207034597 /nfs/dbraw/zinc/03/45/97/207034597.db2.gz VOZJVNCMLYMYDY-IBGZPJMESA-N 1 1 398.547 5.039 50 0 GKAAMO COc1ccc(-c2cc3c(c(OC)c2)OCC[N@@H+](Cc2sccc2C)C3)cc1 ZINC000014989657 207039374 /nfs/dbraw/zinc/03/93/74/207039374.db2.gz PVMAHKLLSRBCAA-UHFFFAOYSA-N 1 1 395.524 5.135 50 0 GKAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@H](c4ccccc4)C3)c(C)o2)cc1OC ZINC000015072688 207043986 /nfs/dbraw/zinc/04/39/86/207043986.db2.gz KBUOETHZDPGIJY-FQEVSTJZSA-N 1 1 392.499 5.047 50 0 GKAAMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)cc1COCC(F)(F)F ZINC000015837134 207063151 /nfs/dbraw/zinc/06/31/51/207063151.db2.gz GQUZBIHBCQJZKQ-LJQANCHMSA-N 1 1 397.412 5.250 50 0 GKAAMO CCc1c(C)sc2c1CC[N@@H+](Cc1ccc(Cl)cc1)[C@H]2c1ccccc1 ZINC000015864892 207064966 /nfs/dbraw/zinc/06/49/66/207064966.db2.gz CDESZZGHFNFNOX-QFIPXVFZSA-N 1 1 381.972 6.420 50 0 GKAAMO CC(C)c1ccc(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000020157536 207182218 /nfs/dbraw/zinc/18/22/18/207182218.db2.gz MEHRZPOPXHACDR-UHFFFAOYSA-N 1 1 384.523 5.621 50 0 GKAAMO Cc1ccsc1-c1nc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c(C)o1 ZINC000020294659 207187021 /nfs/dbraw/zinc/18/70/21/207187021.db2.gz SDQBFVWNDISINJ-INIZCTEOSA-N 1 1 393.512 5.541 50 0 GKAAMO Fc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)cc1F ZINC000020598350 207205225 /nfs/dbraw/zinc/20/52/25/207205225.db2.gz CZPDLHATWPOPCA-AWEZNQCLSA-N 1 1 389.396 5.013 50 0 GKAAMO Cc1ncc(-c2ccc(F)cc2)c([C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)n1 ZINC000020600664 207206731 /nfs/dbraw/zinc/20/67/31/207206731.db2.gz ICNQLBTWWKXESD-KRWDZBQOSA-N 1 1 397.444 5.249 50 0 GKAAMO COc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)cc1C ZINC000020777606 207215182 /nfs/dbraw/zinc/21/51/82/207215182.db2.gz HQSSKEJSKVZLNF-KRWDZBQOSA-N 1 1 397.469 5.052 50 0 GKAAMO CCCC[C@H](CC)C(=O)Nc1ccc2[nH]cc(CC[N@@H+](C)C3CCCCC3)c2c1 ZINC000022347257 207251947 /nfs/dbraw/zinc/25/19/47/207251947.db2.gz WPYAKQNRBBPRQC-IBGZPJMESA-N 1 1 397.607 6.130 50 0 GKAAMO CCCCC[N@@H+](C)Cc1csc(-c2cccc(-c3ccccc3OC)c2)n1 ZINC000023317313 207273205 /nfs/dbraw/zinc/27/32/05/207273205.db2.gz DUTMJBPETARGFP-UHFFFAOYSA-N 1 1 380.557 6.108 50 0 GKAAMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1occc1-c1ccccc1 ZINC000029639334 207365437 /nfs/dbraw/zinc/36/54/37/207365437.db2.gz KUBDFZGCGSRLPP-UHFFFAOYSA-N 1 1 381.501 5.031 50 0 GKAAMO Cn1cc(C[N@H+]2CC[C@H]2c2ccccc2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000072462857 208030362 /nfs/dbraw/zinc/03/03/62/208030362.db2.gz AAGHKGHKLSISOT-VWLOTQADSA-N 1 1 395.506 5.826 50 0 GKAAMO Cc1cccc([C@H]2C[C@H](C(=O)Nc3ccccc3)C[N@@H+](Cc3ccccc3)C2)c1 ZINC000096236627 208290264 /nfs/dbraw/zinc/29/02/64/208290264.db2.gz QGYWTGZWCAOYTI-ZEQRLZLVSA-N 1 1 384.523 5.239 50 0 GKAAMO COCCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1Cl ZINC000021798080 210393690 /nfs/dbraw/zinc/39/36/90/210393690.db2.gz IIOADBXLRXZOHC-UHFFFAOYSA-N 1 1 392.890 5.189 50 0 GKAAMO Cc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](Cc3cccc4ncccc34)C2)cc1 ZINC000020996271 210372578 /nfs/dbraw/zinc/37/25/78/210372578.db2.gz DARQBUSRZOOLPP-OAQYLSRUSA-N 1 1 382.511 5.313 50 0 GKAAMO Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000020917901 210368792 /nfs/dbraw/zinc/36/87/92/210368792.db2.gz YVZDBPRCBQRKGS-HNNXBMFYSA-N 1 1 379.485 5.232 50 0 GKAAMO CCCC[C@H](CC)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020582170 210350599 /nfs/dbraw/zinc/35/05/99/210350599.db2.gz KQRCQSONZBYKIA-NRFANRHFSA-N 1 1 378.560 5.137 50 0 GKAAMO CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CC[N@H+]1C/C=C/c1ccccc1 ZINC000020529079 210342644 /nfs/dbraw/zinc/34/26/44/210342644.db2.gz YHYQZSVKBBWONV-YTWDQVMYSA-N 1 1 391.555 5.467 50 0 biogenic GKAAMO Cc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](Cc3ccc(O)c(Cl)c3)C2)c1 ZINC000020271729 210327812 /nfs/dbraw/zinc/32/78/12/210327812.db2.gz MMLJEVDZXPTNKX-GOSISDBHSA-N 1 1 381.907 5.124 50 0 GKAAMO Fc1ccc(-c2[nH+]c3ccc(Br)cn3c2NCc2ccccc2)cc1 ZINC000004720293 220755315 /nfs/dbraw/zinc/75/53/15/220755315.db2.gz OMRBILOOQAMBMM-UHFFFAOYSA-N 1 1 396.263 5.515 50 0 GKAAMO C[C@H]1[C@H]2CC[C@@H](C)C[N@H+]2[C@@H]2C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]12 ZINC000247645433 209026198 /nfs/dbraw/zinc/02/61/98/209026198.db2.gz JVKYZPBMZPJNAJ-GZVAMOQRSA-N 1 1 397.647 5.655 50 0 GKAAMO O=C(c1cccc2ccccc21)[C@@H]1CCC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000011817495 221127379 /nfs/dbraw/zinc/12/73/79/221127379.db2.gz COMNVYYZHKSBLL-JOCHJYFZSA-N 1 1 380.491 5.483 50 0 GKAAMO COc1cccc([C@@H]2CCC[N@H+]2Cc2nc(-c3ccccc3OC)oc2C)c1 ZINC000011933820 221137773 /nfs/dbraw/zinc/13/77/73/221137773.db2.gz ZAEJNKLUJOLPRW-NRFANRHFSA-N 1 1 378.472 5.004 50 0 GKAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+]1CCCC[C@@H]1CCc1ccccn1 ZINC000011938519 221140313 /nfs/dbraw/zinc/14/03/13/221140313.db2.gz WLCDGMBPWBWDOQ-OAQYLSRUSA-N 1 1 395.934 5.686 50 0 GKAAMO CCOc1ccccc1-c1nc(C[N@H+](C)[C@@H](C)c2cccc(OC)c2)c(C)o1 ZINC000012072425 221146903 /nfs/dbraw/zinc/14/69/03/221146903.db2.gz QESCBEPMSLQQRQ-INIZCTEOSA-N 1 1 380.488 5.250 50 0 GKAAMO CCOc1ccccc1-c1nc(C[N@@H+](C)[C@@H](C)c2cccc(OC)c2)c(C)o1 ZINC000012072425 221146906 /nfs/dbraw/zinc/14/69/06/221146906.db2.gz QESCBEPMSLQQRQ-INIZCTEOSA-N 1 1 380.488 5.250 50 0 GKAAMO Cc1oc(-c2cccc(F)c2)nc1C[N@H+]1CCCC[C@@H]1CCc1ccccn1 ZINC000012308499 221178993 /nfs/dbraw/zinc/17/89/93/221178993.db2.gz FZNMGFRHMFYOAJ-OAQYLSRUSA-N 1 1 379.479 5.171 50 0 GKAAMO C[N@H+](Cc1cc(-c2ccccc2)no1)Cc1c[nH]nc1-c1cc2ccccc2o1 ZINC000012305896 221179342 /nfs/dbraw/zinc/17/93/42/221179342.db2.gz VTDIPZALWFJFNI-UHFFFAOYSA-N 1 1 384.439 5.110 50 0 GKAAMO C[N@@H+](Cc1cc(-c2ccccc2)no1)Cc1c[nH]nc1-c1cc2ccccc2o1 ZINC000012305896 221179345 /nfs/dbraw/zinc/17/93/45/221179345.db2.gz VTDIPZALWFJFNI-UHFFFAOYSA-N 1 1 384.439 5.110 50 0 GKAAMO COc1ccc(-c2nc(C[N@H+](Cc3ccccc3)CC3CC3)c(C)o2)c(F)c1 ZINC000012439481 221196217 /nfs/dbraw/zinc/19/62/17/221196217.db2.gz GVKHEDPEYFYHGF-UHFFFAOYSA-N 1 1 380.463 5.210 50 0 GKAAMO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3ccccc3OC)c(C)o2)cc1C ZINC000012596207 221213029 /nfs/dbraw/zinc/21/30/29/221213029.db2.gz ZGTHYSWEKKPLCZ-OAQYLSRUSA-N 1 1 392.499 5.313 50 0 GKAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3ccccc3OC)c(C)o2)cc1C ZINC000012596207 221213033 /nfs/dbraw/zinc/21/30/33/221213033.db2.gz ZGTHYSWEKKPLCZ-OAQYLSRUSA-N 1 1 392.499 5.313 50 0 GKAAMO Cc1oc(-c2ccsc2)nc1C[N@H+]1CCCC[C@H]1CCc1cccc(O)c1 ZINC000012586806 221211525 /nfs/dbraw/zinc/21/15/25/221211525.db2.gz SJNYHXZYHUBYLG-IBGZPJMESA-N 1 1 382.529 5.404 50 0 GKAAMO C[C@@H](C(=O)c1c[nH]c2ccccc12)[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012750578 221224720 /nfs/dbraw/zinc/22/47/20/221224720.db2.gz SKHIUGOCIGKCSJ-JKSUJKDBSA-N 1 1 389.524 5.228 50 0 GKAAMO Cc1oc(-c2cccc3ccccc32)nc1C[N@@H+](C)Cc1cccc2ncccc12 ZINC000014970697 221322420 /nfs/dbraw/zinc/32/24/20/221322420.db2.gz OBIDYRHGRNMNSS-UHFFFAOYSA-N 1 1 393.490 5.983 50 0 GKAAMO Cc1oc(-c2cccc3ccccc32)nc1C[N@H+](C)Cc1cccc2ncccc12 ZINC000014970697 221322423 /nfs/dbraw/zinc/32/24/23/221322423.db2.gz OBIDYRHGRNMNSS-UHFFFAOYSA-N 1 1 393.490 5.983 50 0 GKAAMO Cc1cc(F)ccc1NC(=O)CC[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000014959172 221320546 /nfs/dbraw/zinc/32/05/46/221320546.db2.gz OEPBULLRAAFDIX-OAQYLSRUSA-N 1 1 382.523 5.198 50 0 GKAAMO O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@@H]1CCC[N@H+](C2CCSCC2)C1 ZINC000014958712 221320799 /nfs/dbraw/zinc/32/07/99/221320799.db2.gz VOZJVNCMLYMYDY-LJQANCHMSA-N 1 1 398.547 5.039 50 0 GKAAMO Cc1cc(C)c(NC(=O)C[NH2+][C@H](c2cccs2)c2ccc(F)cc2)c(C)c1 ZINC000015358587 221335350 /nfs/dbraw/zinc/33/53/50/221335350.db2.gz PCJYKKOPJUIEKQ-QFIPXVFZSA-N 1 1 382.504 5.130 50 0 GKAAMO C[C@@H]1CCCC[N@H+]1CCNc1nc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000015781638 221344618 /nfs/dbraw/zinc/34/46/18/221344618.db2.gz WPPUYRNNTGLCFX-MRXNPFEDSA-N 1 1 380.923 5.237 50 0 GKAAMO Cc1ccc([C@@H](CNC(=O)c2oc3cc(C)c(C)cc3c2C)[NH+]2CCCCC2)o1 ZINC000015860409 221348639 /nfs/dbraw/zinc/34/86/39/221348639.db2.gz VEXWGXMNXFOKRQ-HXUWFJFHSA-N 1 1 394.515 5.216 50 0 GKAAMO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccccc3Cl)no2)cc1 ZINC000016355674 221360353 /nfs/dbraw/zinc/36/03/53/221360353.db2.gz PNLDNTOBWZRHTH-IBGZPJMESA-N 1 1 383.879 5.126 50 0 GKAAMO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2nc(-c3ccccc3Cl)no2)cc1 ZINC000016355674 221360357 /nfs/dbraw/zinc/36/03/57/221360357.db2.gz PNLDNTOBWZRHTH-IBGZPJMESA-N 1 1 383.879 5.126 50 0 GKAAMO CSc1ccc2c(C)cc(N3CCC(c4[nH+]ccn4CC4CC4)CC3)nc2c1 ZINC000095519264 136180877 /nfs/dbraw/zinc/18/08/77/136180877.db2.gz YAQKGIKKQDBCKY-UHFFFAOYSA-N 1 1 392.572 5.256 50 0 GKAAMO CSc1ccc2c(C)cc(N3CCC[C@@H](c4[nH+]ccn4C(C)C)C3)nc2c1 ZINC000095525609 136181352 /nfs/dbraw/zinc/18/13/52/136181352.db2.gz OHFFZHWKKYGSGM-QGZVFWFLSA-N 1 1 380.561 5.427 50 0 GKAAMO C[C@H]1[C@H]2CC[C@@H](C)C[N@H+]2[C@@H]2C[C@@H]3[C@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]12 ZINC000257348296 209080086 /nfs/dbraw/zinc/08/00/86/209080086.db2.gz DCQBOIHKCBTVFH-SROCZHJCSA-N 1 1 397.647 5.943 50 0 GKAAMO Cc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccc(F)c(Cl)c2)cc1C ZINC000037522288 221871650 /nfs/dbraw/zinc/87/16/50/221871650.db2.gz NITISFYEMUTDLH-QHCPKHFHSA-N 1 1 382.910 5.893 50 0 GKAAMO Cc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccc(F)c(Cl)c2)cc1C ZINC000037522288 221871653 /nfs/dbraw/zinc/87/16/53/221871653.db2.gz NITISFYEMUTDLH-QHCPKHFHSA-N 1 1 382.910 5.893 50 0 GKAAMO CCCCc1ncc(C[NH2+][C@H](C)c2cnn(-c3cccc4ccccc43)c2C)[nH]1 ZINC000055182587 222015982 /nfs/dbraw/zinc/01/59/82/222015982.db2.gz LRPVEPDPDSOSRE-QGZVFWFLSA-N 1 1 387.531 5.250 50 0 GKAAMO COc1ccc(-c2cc3c(c(OC)c2)OCC[N@@H+](Cc2ccc(C)cc2)C3)cc1 ZINC000055283703 222021502 /nfs/dbraw/zinc/02/15/02/222021502.db2.gz UBQSMPGRVUYLTH-UHFFFAOYSA-N 1 1 389.495 5.074 50 0 GKAAMO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000058043577 222038166 /nfs/dbraw/zinc/03/81/66/222038166.db2.gz NZISXNWGGQSBRC-CYBMUJFWSA-N 1 1 392.286 5.115 50 0 GKAAMO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000058043577 222038170 /nfs/dbraw/zinc/03/81/70/222038170.db2.gz NZISXNWGGQSBRC-CYBMUJFWSA-N 1 1 392.286 5.115 50 0 GKAAMO Cc1sc2[nH]c([C@@H](C)[NH2+][C@H](C)c3ccccc3C(F)(F)F)nc(=O)c2c1C ZINC000066391205 222139659 /nfs/dbraw/zinc/13/96/59/222139659.db2.gz IFLAFYWFAOJEJX-GHMZBOCLSA-N 1 1 395.450 5.032 50 0 GKAAMO CC(C)c1ncc(C[N@H+]2CCC[C@H](CCc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000071614118 222185131 /nfs/dbraw/zinc/18/51/31/222185131.db2.gz MXYBYEURVNATAU-GOSISDBHSA-N 1 1 391.481 5.464 50 0 GKAAMO CCO[C@H](C)c1noc(C[N@@H+](C2CC2)[C@@H]2CCCC[C@@H]2C2CCCCC2)n1 ZINC000089984985 520488832 /nfs/dbraw/zinc/48/88/32/520488832.db2.gz YPPNRAANYOZJAS-NSISKUIASA-N 1 1 375.557 5.271 50 0 GKAAMO C[N@H+]1CCCC[C@H]1Cn1cc(C(=O)c2cccc3ccccc32)c2ccccc21 ZINC000003825191 560189852 /nfs/dbraw/zinc/18/98/52/560189852.db2.gz URKVBEKZCMUTQC-FQEVSTJZSA-N 1 1 382.507 5.510 50 0 in-vitro GKAAMO Cc1cc(Cl)ccc1NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019813171 570221552 /nfs/dbraw/zinc/22/15/52/570221552.db2.gz HEONQQNRIPGYCO-UHFFFAOYSA-N 1 1 390.914 5.459 50 0 GKAAMO COc1ccccc1-c1nc(C[N@H+]2CCC[C@H](c3cccc(C)c3)C2)c(C)o1 ZINC000019884838 570227654 /nfs/dbraw/zinc/22/76/54/570227654.db2.gz QQUIKEOGZJYBSM-FQEVSTJZSA-N 1 1 376.500 5.347 50 0 GKAAMO CC1CC[NH+](Cc2nc3sc4c(c3c(SC3CCCC3)n2)CCC4)CC1 ZINC000006083200 570238966 /nfs/dbraw/zinc/23/89/66/570238966.db2.gz XINONRJKAFFVFD-UHFFFAOYSA-N 1 1 387.618 5.447 50 0 GKAAMO Cc1oc(-c2ccccc2Cl)nc1C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000020455794 570259204 /nfs/dbraw/zinc/25/92/04/570259204.db2.gz PKNCTCQKNNPCRZ-UHFFFAOYSA-N 1 1 381.907 5.016 50 0 GKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC2CCCC2)cc1 ZINC000001447724 570263529 /nfs/dbraw/zinc/26/35/29/570263529.db2.gz GIQSDMLKOBDODV-UHFFFAOYSA-N 1 1 384.483 5.451 50 0 GKAAMO CCCC[C@@H](CC)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020582167 570268843 /nfs/dbraw/zinc/26/88/43/570268843.db2.gz KQRCQSONZBYKIA-OAQYLSRUSA-N 1 1 378.560 5.137 50 0 GKAAMO FC(F)(F)c1ccc(-c2nc(C[N@H+]3CC[C@@H]4CCCC[C@@H]4C3)cs2)cc1 ZINC000022637512 570275256 /nfs/dbraw/zinc/27/52/56/570275256.db2.gz IXNCISDMXHZUQE-GOEBONIOSA-N 1 1 380.479 5.841 50 0 GKAAMO Cc1ccc(C)c2c(=O)cc(C[N@@H+](Cc3ccc(Cl)cc3)CC(C)C)[nH]c12 ZINC000015862294 570278803 /nfs/dbraw/zinc/27/88/03/570278803.db2.gz XRJOZXOKKMFPBV-UHFFFAOYSA-N 1 1 382.935 5.457 50 0 GKAAMO COc1ccc(-c2nnc(Nc3ccc4c(c3)[nH+]c(C)n4C)c3ccccc32)cc1 ZINC000002291265 570281357 /nfs/dbraw/zinc/28/13/57/570281357.db2.gz RPSDHBSVMWWSAN-UHFFFAOYSA-N 1 1 395.466 5.244 50 0 GKAAMO Cc1ccsc1-c1nc(C[NH+]2CCC([C@H](O)c3cccs3)CC2)c(C)o1 ZINC000020999744 570287301 /nfs/dbraw/zinc/28/73/01/570287301.db2.gz BXRPLUXDVZXXKF-SFHVURJKSA-N 1 1 388.558 5.027 50 0 GKAAMO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@H+](C1CCC(C)CC1)CC2 ZINC000022023274 570302202 /nfs/dbraw/zinc/30/22/02/570302202.db2.gz MHNDOIQKQODLFA-GLVQYQCOSA-N 1 1 399.962 5.883 50 0 GKAAMO C[N@H+](Cc1csc(-c2ccc(Cl)cc2)n1)Cc1cccc2ccccc21 ZINC000023427178 570323241 /nfs/dbraw/zinc/32/32/41/570323241.db2.gz MMQQKPKWGKDRAA-UHFFFAOYSA-N 1 1 378.928 6.249 50 0 GKAAMO C[N@@H+](Cc1csc(-c2ccc(Cl)cc2)n1)Cc1cccc2ccccc21 ZINC000023427178 570323244 /nfs/dbraw/zinc/32/32/44/570323244.db2.gz MMQQKPKWGKDRAA-UHFFFAOYSA-N 1 1 378.928 6.249 50 0 GKAAMO CC[C@H](C)NC(=O)[C@@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000034739891 570327354 /nfs/dbraw/zinc/32/73/54/570327354.db2.gz VVJMFUZZRXYGJP-UCNVEGJOSA-N 1 1 384.951 5.208 50 0 GKAAMO c1ccc(CCN2CCC([N@@H+](CCc3ccccc3)Cc3ccccc3)CC2)cc1 ZINC000004022917 570354961 /nfs/dbraw/zinc/35/49/61/570354961.db2.gz YMKUIZVLGJSNOS-UHFFFAOYSA-N 1 1 398.594 5.438 50 0 GKAAMO Cc1cccc(Cn2cccc2C[N@@H+](Cc2ccc(F)cc2)[C@H](C)C(C)C)c1 ZINC000004907896 570361307 /nfs/dbraw/zinc/36/13/07/570361307.db2.gz GTVALLXDVNUQPM-OAQYLSRUSA-N 1 1 378.535 6.031 50 0 GKAAMO Cc1cc(=O)oc2cc(Nc3c4c([nH+]c5ccc(Cl)cc53)CCC4)ccc12 ZINC000004905695 570362501 /nfs/dbraw/zinc/36/25/01/570362501.db2.gz IWPINMGQHSUNED-UHFFFAOYSA-N 1 1 376.843 5.535 50 0 GKAAMO CC1CC[NH+](Cc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)no2)CC1 ZINC000004322686 570367922 /nfs/dbraw/zinc/36/79/22/570367922.db2.gz XKUXJIRHBZCWOK-UHFFFAOYSA-N 1 1 393.331 5.006 50 0 GKAAMO COc1cc(OC)c(Nc2c3c([nH+]c4ccc(Cl)cc42)CCC3)cc1Cl ZINC000004924158 570370536 /nfs/dbraw/zinc/37/05/36/570370536.db2.gz ZZXQYJAQIIDHPH-UHFFFAOYSA-N 1 1 389.282 5.791 50 0 GKAAMO C[C@@H]1[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000004375783 570372236 /nfs/dbraw/zinc/37/22/36/570372236.db2.gz NTQGEZJOMVFLMK-XUVDGOIQSA-N 1 1 375.487 5.468 50 0 GKAAMO Fc1ccc(-c2cnc(C[N@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)o2)cc1 ZINC000023955911 570375806 /nfs/dbraw/zinc/37/58/06/570375806.db2.gz KOWKPXGAGYAEJM-MRXNPFEDSA-N 1 1 393.487 5.470 50 0 GKAAMO c1csc(-c2cc(C[N@H+]3CCC[C@H](c4nc5ccccc5s4)C3)no2)c1 ZINC000023995561 570376624 /nfs/dbraw/zinc/37/66/24/570376624.db2.gz NTMHIMYHBHOQPU-AWEZNQCLSA-N 1 1 381.526 5.392 50 0 GKAAMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2sccc2-c2ccc(F)cc2)C1 ZINC000229159748 570377549 /nfs/dbraw/zinc/37/75/49/570377549.db2.gz CJUOCLDYUCOARO-OXJNMPFZSA-N 1 1 394.515 5.120 50 0 GKAAMO C[C@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1ccc(Cl)cc1 ZINC000024209118 570380657 /nfs/dbraw/zinc/38/06/57/570380657.db2.gz YKWLFFZQWPQUIG-ZDUSSCGKSA-N 1 1 395.915 5.156 50 0 GKAAMO COc1ccc([C@@H](C)[N@@H+](C)CCC(c2ccccc2)c2ccccc2)cc1OC ZINC000004728951 570398459 /nfs/dbraw/zinc/39/84/59/570398459.db2.gz DQDBEVIQIOCIFE-HXUWFJFHSA-N 1 1 389.539 5.919 50 0 GKAAMO C[N@@H+](C[C@@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C1CCCCC1 ZINC000004845026 570411623 /nfs/dbraw/zinc/41/16/23/570411623.db2.gz UESXOBVFCVOXTG-LKUXSMQASA-N 1 1 397.603 5.159 50 0 GKAAMO CC[N@@H+](CC[C@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)Cc1ccc(OC)cc1 ZINC000100743196 570437990 /nfs/dbraw/zinc/43/79/90/570437990.db2.gz YKCUWIVBCFMJNZ-UKILVPOCSA-N 1 1 395.587 5.896 50 0 biogenic GKAAMO C[N@@H+](Cc1ccccc1NC(=O)c1ccccc1OC(F)F)C1CCCCC1 ZINC000028620423 570462156 /nfs/dbraw/zinc/46/21/56/570462156.db2.gz OSLJZEGXVGOCMR-UHFFFAOYSA-N 1 1 388.458 5.305 50 0 GKAAMO Cc1ccccc1C[N@H+](Cc1cccn1Cc1ccccc1)CC1CCCCC1 ZINC000035840980 570463301 /nfs/dbraw/zinc/46/33/01/570463301.db2.gz YZAAOQFREGATHB-UHFFFAOYSA-N 1 1 386.583 6.427 50 0 GKAAMO Cc1ccc(C[N@H+](Cc2cccn2Cc2ccccc2F)[C@H](C)C(C)C)cc1 ZINC000035841051 570463368 /nfs/dbraw/zinc/46/33/68/570463368.db2.gz CJQPDOVXRRIHAT-OAQYLSRUSA-N 1 1 378.535 6.031 50 0 GKAAMO Cc1ccccc1C[N@@H+](CCC(C)C)Cc1cccn1Cc1ccc(F)cc1 ZINC000035841003 570463459 /nfs/dbraw/zinc/46/34/59/570463459.db2.gz NZBOUNMCCHSDHQ-UHFFFAOYSA-N 1 1 378.535 6.032 50 0 GKAAMO Cc1ccccc1Cn1cccc1C[N@@H+](Cc1cccc(F)c1)C1CCCCC1 ZINC000035841096 570463803 /nfs/dbraw/zinc/46/38/03/570463803.db2.gz NWGITGPSPJVKDG-UHFFFAOYSA-N 1 1 390.546 6.319 50 0 GKAAMO COCCC[N@@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(C)c1 ZINC000035843740 570463823 /nfs/dbraw/zinc/46/38/23/570463823.db2.gz UNIXTTSIYZTKPO-UHFFFAOYSA-N 1 1 380.507 5.023 50 0 GKAAMO C[N@@H+](CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)[C@H]1CCc2ccccc21 ZINC000029482963 570474708 /nfs/dbraw/zinc/47/47/08/570474708.db2.gz ZQMYMCXYXYGOJC-KRWDZBQOSA-N 1 1 383.706 5.205 50 0 GKAAMO CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CC[N@H+]1Cc1cccc(F)c1 ZINC000005190382 570498920 /nfs/dbraw/zinc/49/89/20/570498920.db2.gz UCEGOWGVZLOCAE-JRFVFWCSSA-N 1 1 383.507 5.093 50 0 GKAAMO Cc1[nH]c2ccccc2c1[C@@H](Nc1[nH+]cccc1C)c1ccc(C(F)(F)F)cc1 ZINC000002708437 570506543 /nfs/dbraw/zinc/50/65/43/570506543.db2.gz ONAJGXQXPNALTF-NRFANRHFSA-N 1 1 395.428 6.400 50 0 GKAAMO CCCc1ccc(OCCCC[N@H+]2CCCC[C@@H]2c2cccnc2)c(OC)c1 ZINC000006624472 570508530 /nfs/dbraw/zinc/50/85/30/570508530.db2.gz QROSJJZDPVLDOR-JOCHJYFZSA-N 1 1 382.548 5.429 50 0 biogenic GKAAMO c1c(-c2ccccc2)c2c(nc[nH+]c2NCCc2ccccc2)n1-c1ccccc1 ZINC000002714078 570509455 /nfs/dbraw/zinc/50/94/55/570509455.db2.gz NOGYMMWOUCILHI-UHFFFAOYSA-N 1 1 390.490 5.742 50 0 GKAAMO CC(C)CNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000002715113 570509695 /nfs/dbraw/zinc/50/96/95/570509695.db2.gz GOPJDLCPIFWXQX-UHFFFAOYSA-N 1 1 376.891 5.809 50 0 GKAAMO COc1ccc(OC)c(-c2n[nH]cc2C[N@H+]2CCCCC[C@H]2c2cccs2)c1 ZINC000033087089 570519938 /nfs/dbraw/zinc/51/99/38/570519938.db2.gz JINHFIWIPRSXSW-IBGZPJMESA-N 1 1 397.544 5.273 50 0 GKAAMO COc1cc2c(cc1C[N@@H+](C)CCc1ccccn1)oc(C)c2-c1ccccc1 ZINC000022077712 570537745 /nfs/dbraw/zinc/53/77/45/570537745.db2.gz MMBDZXYVSOKBKG-UHFFFAOYSA-N 1 1 386.495 5.486 50 0 GKAAMO COc1cc2c(cc1C[N@@H+](C)CCc1ccccc1)oc(C)c2-c1ccccc1 ZINC000022077752 570537752 /nfs/dbraw/zinc/53/77/52/570537752.db2.gz FWOCJOZGUIKRAJ-UHFFFAOYSA-N 1 1 385.507 6.091 50 0 GKAAMO c1ccc(Oc2cccc(CN3CC[N@H+]4CCC[C@H]4[C@H]3C3CCCCC3)c2)cc1 ZINC000022860942 570539018 /nfs/dbraw/zinc/53/90/18/570539018.db2.gz ICFIGWARIJACRJ-IZZNHLLZSA-N 1 1 390.571 5.708 50 0 GKAAMO C[C@H]1CCCc2[nH+]cc([C@H](CC(=O)Nc3ccc(F)cc3)c3cccc(F)c3)n21 ZINC000034920012 570547645 /nfs/dbraw/zinc/54/76/45/570547645.db2.gz XMJOUGGQHPOEPT-MGPUTAFESA-N 1 1 395.453 5.219 50 0 GKAAMO C[C@@H]1CCCc2[nH+]cc([C@H](CC(=O)Nc3ccc(F)cc3)c3cccc(F)c3)n21 ZINC000034920010 570547779 /nfs/dbraw/zinc/54/77/79/570547779.db2.gz XMJOUGGQHPOEPT-FOIQADDNSA-N 1 1 395.453 5.219 50 0 GKAAMO S=c1oc2cc(Cl)ccc2n1C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000005331647 570555816 /nfs/dbraw/zinc/55/58/16/570555816.db2.gz DEYCSCUOIPBJCS-UHFFFAOYSA-N 1 1 394.927 6.277 50 0 GKAAMO CCOc1ccc2oc(=O)cc(C[N@@H+](Cc3ccco3)[C@@H]3CCCC[C@@H]3C)c2c1 ZINC000006743160 570564467 /nfs/dbraw/zinc/56/44/67/570564467.db2.gz FIRZFCWFKHGZEO-HTAPYJJXSA-N 1 1 395.499 5.366 50 0 GKAAMO CCOc1ccc2oc(=O)cc(C[N@@H+](Cc3ccco3)[C@H]3CCCC[C@@H]3C)c2c1 ZINC000006743162 570564499 /nfs/dbraw/zinc/56/44/99/570564499.db2.gz FIRZFCWFKHGZEO-JTSKRJEESA-N 1 1 395.499 5.366 50 0 GKAAMO Cc1ccc(-c2csc3[nH]c(C[N@H+](C)C4CCCCC4)nc(=O)c23)cc1C ZINC000036203746 570568531 /nfs/dbraw/zinc/56/85/31/570568531.db2.gz WIGLVJFMASOOKD-UHFFFAOYSA-N 1 1 381.545 5.033 50 0 GKAAMO Cc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2C(F)(F)F)cc1C ZINC000037522483 570573015 /nfs/dbraw/zinc/57/30/15/570573015.db2.gz UFGKNYZIXSUDCI-HSZRJFAPSA-N 1 1 398.472 6.119 50 0 GKAAMO Cc1ccccc1-c1cccc(C[N@H+]2CCC[C@H](CCC(=O)N3CCCC3)C2)c1 ZINC000011880096 570591865 /nfs/dbraw/zinc/59/18/65/570591865.db2.gz GHWQLZZSSGYMQX-JOCHJYFZSA-N 1 1 390.571 5.277 50 0 GKAAMO Cc1ccc2c(Cl)c(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)sc2c1 ZINC000005451492 570599447 /nfs/dbraw/zinc/59/94/47/570599447.db2.gz XYAXOKMXXAVGOX-HNNXBMFYSA-N 1 1 388.920 5.023 50 0 GKAAMO Cc1cccc([C@H]2c3cccn3CCC[N@H+]2Cc2cccc(C(F)(F)F)c2)c1 ZINC000036348388 570629707 /nfs/dbraw/zinc/62/97/07/570629707.db2.gz KOUQRJAYMJHSET-QFIPXVFZSA-N 1 1 384.445 5.811 50 0 GKAAMO Cc1cccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cccc(C(F)(F)F)c2)c1 ZINC000036348388 570629708 /nfs/dbraw/zinc/62/97/08/570629708.db2.gz KOUQRJAYMJHSET-QFIPXVFZSA-N 1 1 384.445 5.811 50 0 GKAAMO Cc1cccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cccc(C(F)(F)F)c2)c1 ZINC000036348387 570629817 /nfs/dbraw/zinc/62/98/17/570629817.db2.gz KOUQRJAYMJHSET-JOCHJYFZSA-N 1 1 384.445 5.811 50 0 GKAAMO Cc1cccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cccc(C(F)(F)F)c2)c1 ZINC000036348387 570629820 /nfs/dbraw/zinc/62/98/20/570629820.db2.gz KOUQRJAYMJHSET-JOCHJYFZSA-N 1 1 384.445 5.811 50 0 GKAAMO COc1cccc(C[N@H+]2CCCn3cccc3[C@@H]2c2cc(C)ccc2C)c1OC ZINC000036348132 570630998 /nfs/dbraw/zinc/63/09/98/570630998.db2.gz MOTYGWCHDHBPKZ-DEOSSOPVSA-N 1 1 390.527 5.117 50 0 GKAAMO C=C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1[C@H](C)c1ccc(CC(C)C)cc1 ZINC000136611892 570631673 /nfs/dbraw/zinc/63/16/73/570631673.db2.gz AQAGPBXWLXHMCE-IQGLISFBSA-N 1 1 379.544 5.749 50 0 GKAAMO COc1ccc(-c2n[nH]cc2C[N@@H+](C)Cc2cc3ccccc3s2)cc1F ZINC000012316201 570641143 /nfs/dbraw/zinc/64/11/43/570641143.db2.gz YIBMYGMFXBCZSN-UHFFFAOYSA-N 1 1 381.476 5.071 50 0 GKAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccccc4Cl)o2)N3)C1 ZINC000006857680 570649766 /nfs/dbraw/zinc/64/97/66/570649766.db2.gz KPUYXHJRUAUDBX-GOSISDBHSA-N 1 1 399.903 5.078 50 0 GKAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccccc4Cl)o2)N3)C1 ZINC000006857680 570649769 /nfs/dbraw/zinc/64/97/69/570649769.db2.gz KPUYXHJRUAUDBX-GOSISDBHSA-N 1 1 399.903 5.078 50 0 GKAAMO COc1cccc(OC[C@H]2CCC[N@@H+](Cc3nc(-c4ccsc4)oc3C)C2)c1 ZINC000012387203 570651894 /nfs/dbraw/zinc/65/18/94/570651894.db2.gz ZXYOUCOCVSIOHK-KRWDZBQOSA-N 1 1 398.528 5.011 50 0 GKAAMO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@@H+](CC1CCCCC1)CC2 ZINC000049590039 570665210 /nfs/dbraw/zinc/66/52/10/570665210.db2.gz GUOBFSYQCIFNOW-XMMPIXPASA-N 1 1 399.962 5.885 50 0 GKAAMO CC(C)c1ccc(NC(=O)C[NH2+][C@@H](C)c2cc(F)c(Cl)cc2Cl)cc1 ZINC000006881369 570676550 /nfs/dbraw/zinc/67/65/50/570676550.db2.gz CDPFYOXOHNJRHE-LBPRGKRZSA-N 1 1 383.294 5.545 50 0 GKAAMO CCC[N@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C)C[C@H]1CCCO1 ZINC000012570226 570680987 /nfs/dbraw/zinc/68/09/87/570680987.db2.gz WINAOSPMDROWPX-QGZVFWFLSA-N 1 1 382.426 5.060 50 0 GKAAMO Cc1oc(-c2cc(F)cc(F)c2)nc1C[N@@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC000012584609 570684932 /nfs/dbraw/zinc/68/49/32/570684932.db2.gz PXBAILQTWZAPIG-NRFANRHFSA-N 1 1 398.453 5.109 50 0 GKAAMO Cc1oc(-c2cc(F)cc(F)c2)nc1C[N@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC000012584609 570684934 /nfs/dbraw/zinc/68/49/34/570684934.db2.gz PXBAILQTWZAPIG-NRFANRHFSA-N 1 1 398.453 5.109 50 0 GKAAMO Cc1ccc(-n2cc(C[N@@H+](C)[C@H](C)c3ccncn3)c(-c3cccc(C)c3)n2)cc1 ZINC000055153824 570685049 /nfs/dbraw/zinc/68/50/49/570685049.db2.gz CNXGQIHDLFNBHR-HXUWFJFHSA-N 1 1 397.526 5.139 50 0 GKAAMO Cc1ccc(-n2cc(C[N@H+](C)[C@H](C)c3ccncn3)c(-c3cccc(C)c3)n2)cc1 ZINC000055153824 570685052 /nfs/dbraw/zinc/68/50/52/570685052.db2.gz CNXGQIHDLFNBHR-HXUWFJFHSA-N 1 1 397.526 5.139 50 0 GKAAMO Cc1ccc2c(c1)c1c3n2CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)[C@@H]3CCC1 ZINC000055447671 570695649 /nfs/dbraw/zinc/69/56/49/570695649.db2.gz LPYCRSDEHJIWIV-JOCHJYFZSA-N 1 1 398.472 6.252 50 0 GKAAMO COCCC[N@@H+](Cc1cccn1Cc1cccc(C)c1)Cc1ccc(F)c(F)c1 ZINC000004358192 570698144 /nfs/dbraw/zinc/69/81/44/570698144.db2.gz FDNLJFUOUZXWKE-UHFFFAOYSA-N 1 1 398.497 5.162 50 0 GKAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](C/C=C/c3ccccc3)C2)c(C)c1 ZINC000012709190 570701657 /nfs/dbraw/zinc/70/16/57/570701657.db2.gz GWQDCZANXKIOBJ-FLVSMNSFSA-N 1 1 392.543 5.148 50 0 GKAAMO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](COc4ccccc4C)C3)c(C)o2)o1 ZINC000012709734 570702259 /nfs/dbraw/zinc/70/22/59/570702259.db2.gz JVCWWAMDDGVJOH-LJQANCHMSA-N 1 1 380.488 5.151 50 0 GKAAMO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H](COc4ccccc4C)C3)c(C)o2)o1 ZINC000012709734 570702262 /nfs/dbraw/zinc/70/22/62/570702262.db2.gz JVCWWAMDDGVJOH-LJQANCHMSA-N 1 1 380.488 5.151 50 0 GKAAMO Cc1cccc(-c2nnc(C[NH+]3CCC(c4nc5ccccc5s4)CC3)o2)c1 ZINC000006978495 570725385 /nfs/dbraw/zinc/72/53/85/570725385.db2.gz PZKJTICJHGLFPT-UHFFFAOYSA-N 1 1 390.512 5.034 50 0 GKAAMO Cc1ccccc1C[N@H+](C)CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000013058098 570744381 /nfs/dbraw/zinc/74/43/81/570744381.db2.gz FNXDMGBJDKTLNW-UHFFFAOYSA-N 1 1 394.902 5.511 50 0 GKAAMO Cc1ccccc1C[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000013058098 570744383 /nfs/dbraw/zinc/74/43/83/570744383.db2.gz FNXDMGBJDKTLNW-UHFFFAOYSA-N 1 1 394.902 5.511 50 0 GKAAMO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+](C)Cc1cccc(Cl)c1 ZINC000013063291 570744826 /nfs/dbraw/zinc/74/48/26/570744826.db2.gz YDZCBITZSZVCNC-KRWDZBQOSA-N 1 1 378.903 5.466 50 0 GKAAMO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000013063291 570744830 /nfs/dbraw/zinc/74/48/30/570744830.db2.gz YDZCBITZSZVCNC-KRWDZBQOSA-N 1 1 378.903 5.466 50 0 GKAAMO CN1N=C2/C(=C/c3ccccc3)C[N@H+](Cc3ccccc3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000013395999 570753797 /nfs/dbraw/zinc/75/37/97/570753797.db2.gz SPPOYKISQNMIHA-LWDDGCSTSA-N 1 1 393.534 5.245 50 0 GKAAMO C[C@@H]1[C@H](c2ccccc2)[N@@H+](C)[C@@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 ZINC000013468152 570755583 /nfs/dbraw/zinc/75/55/83/570755583.db2.gz NTQGEZJOMVFLMK-BEDYVLDCSA-N 1 1 375.487 5.468 50 0 GKAAMO CCc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccc(Cl)cc2)ccc1O ZINC000036614394 570758543 /nfs/dbraw/zinc/75/85/43/570758543.db2.gz INNVAFCCUUWNAL-QTJGBDASSA-N 1 1 399.962 5.476 50 0 GKAAMO CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)C[N@H+](CC)Cc1cccs1 ZINC000032751490 570791698 /nfs/dbraw/zinc/79/16/98/570791698.db2.gz HGRMRELFTYDXIL-UHFFFAOYSA-N 1 1 398.572 5.197 50 0 GKAAMO CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)C[N@@H+](CC)Cc1cccs1 ZINC000032751490 570791700 /nfs/dbraw/zinc/79/17/00/570791700.db2.gz HGRMRELFTYDXIL-UHFFFAOYSA-N 1 1 398.572 5.197 50 0 GKAAMO CCCCN(C)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000004658118 570809146 /nfs/dbraw/zinc/80/91/46/570809146.db2.gz OESRMHVYFPOZFV-UHFFFAOYSA-N 1 1 390.918 5.977 50 0 GKAAMO Cc1ccc([C@H](c2c3ccccc3n(O)c2-c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000005968811 570810228 /nfs/dbraw/zinc/81/02/28/570810228.db2.gz VXQJKUKFFIBNMK-RUZDIDTESA-N 1 1 398.506 5.276 50 0 GKAAMO C[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C(=S)Nc2cccc(Cl)c2)CC1 ZINC000004668305 570814396 /nfs/dbraw/zinc/81/43/96/570814396.db2.gz FKTQWQHUUZIQEN-KXBFYZLASA-N 1 1 380.001 5.012 50 0 GKAAMO CSc1cccc(NC(=S)N2CCC([N@@H+](C)[C@H]3CCCC[C@H]3C)CC2)c1 ZINC000004668253 570814443 /nfs/dbraw/zinc/81/44/43/570814443.db2.gz OEZKJADBPBLXQV-UZLBHIALSA-N 1 1 391.650 5.080 50 0 GKAAMO CSc1cccc(NC(=S)N2CCC([N@@H+](C)[C@H]3CCCC[C@@H]3C)CC2)c1 ZINC000004668254 570814571 /nfs/dbraw/zinc/81/45/71/570814571.db2.gz OEZKJADBPBLXQV-JXFKEZNVSA-N 1 1 391.650 5.080 50 0 GKAAMO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000065474675 570822924 /nfs/dbraw/zinc/82/29/24/570822924.db2.gz PUHPGEJFYGGKSM-LBPRGKRZSA-N 1 1 395.812 5.602 50 0 GKAAMO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000065474675 570822926 /nfs/dbraw/zinc/82/29/26/570822926.db2.gz PUHPGEJFYGGKSM-LBPRGKRZSA-N 1 1 395.812 5.602 50 0 GKAAMO Cc1ccc(NC(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)cc1Cl ZINC000033140079 570826366 /nfs/dbraw/zinc/82/63/66/570826366.db2.gz SVGOALPWNUNBRL-UHFFFAOYSA-N 1 1 391.902 5.808 50 0 GKAAMO Cc1ccc(NC(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)cc1Cl ZINC000033140079 570826369 /nfs/dbraw/zinc/82/63/69/570826369.db2.gz SVGOALPWNUNBRL-UHFFFAOYSA-N 1 1 391.902 5.808 50 0 GKAAMO CN(C)CCC[NH+](Cc1cccc2ccccc21)Cc1cccc2ccccc21 ZINC000004699237 570843744 /nfs/dbraw/zinc/84/37/44/570843744.db2.gz AOEHHWAWPXRLNS-UHFFFAOYSA-N 1 1 382.551 5.947 50 0 GKAAMO 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COc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2Cl)cc1OC ZINC000036347665 205012280 /nfs/dbraw/zinc/01/22/80/205012280.db2.gz VPRINSHIEBLXIX-QHCPKHFHSA-N 1 1 396.918 5.154 50 0 GKAAMO CC(C)c1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2cccc(Cl)c2)cc1 ZINC000036347536 205012631 /nfs/dbraw/zinc/01/26/31/205012631.db2.gz RESCSQZEAVTRSH-DEOSSOPVSA-N 1 1 378.947 6.260 50 0 GKAAMO CCc1ccccc1[C@@H]1c2cccn2CCC[N@@H+]1Cc1cc(OC)cc(OC)c1 ZINC000036348572 205013242 /nfs/dbraw/zinc/01/32/42/205013242.db2.gz JRWJJQSSGBJAJE-RUZDIDTESA-N 1 1 390.527 5.063 50 0 GKAAMO Cc1ccc(C)c([C@@H]2c3cccn3CCC[N@H+]2Cc2ccc(F)c(Cl)c2)c1 ZINC000036348151 205013564 /nfs/dbraw/zinc/01/35/64/205013564.db2.gz CNRJJKQENLCYIB-HSZRJFAPSA-N 1 1 382.910 5.893 50 0 GKAAMO Cc1ccc(C)c([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccc(F)c(Cl)c2)c1 ZINC000036348151 205013568 /nfs/dbraw/zinc/01/35/68/205013568.db2.gz CNRJJKQENLCYIB-HSZRJFAPSA-N 1 1 382.910 5.893 50 0 GKAAMO O=C1[C@]2(C[C@@H]2c2ccccc2)C[N@H+](Cc2ccccc2)C[C@@]12C[C@H]2c1ccccc1 ZINC000038199320 205035243 /nfs/dbraw/zinc/03/52/43/205035243.db2.gz MXOGLMLNAHOAEG-QEFMBMMRSA-N 1 1 393.530 5.419 50 0 GKAAMO Cc1c2ccc3ccccc3c2oc1C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000039563845 205044514 /nfs/dbraw/zinc/04/45/14/205044514.db2.gz XTWOTVXBVVDTPD-UHFFFAOYSA-N 1 1 378.516 5.087 50 0 GKAAMO C[N@@H+](Cc1ccccc1NC(=O)Cc1c[nH]c2ccccc12)C1CCCCC1 ZINC000040039647 205047463 /nfs/dbraw/zinc/04/74/63/205047463.db2.gz WIBSJOBLDPQKJZ-UHFFFAOYSA-N 1 1 375.516 5.114 50 0 GKAAMO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2coc(-c3ccc(OC)cc3)n2)cc1 ZINC000048276926 205116957 /nfs/dbraw/zinc/11/69/57/205116957.db2.gz OBOGAQJMFCJHPY-JOCHJYFZSA-N 1 1 378.472 5.086 50 0 GKAAMO CCOc1ccc([C@H]2CCC[N@H+]2Cc2coc(-c3ccc(OC)cc3)n2)cc1 ZINC000048276926 205116959 /nfs/dbraw/zinc/11/69/59/205116959.db2.gz OBOGAQJMFCJHPY-JOCHJYFZSA-N 1 1 378.472 5.086 50 0 GKAAMO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@H+](Cc2ccc(C)s2)C3)c1 ZINC000055154256 205142722 /nfs/dbraw/zinc/14/27/22/205142722.db2.gz LBDHRLNOVFNFEH-UHFFFAOYSA-N 1 1 395.524 5.135 50 0 GKAAMO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@@H+](Cc2ccc(C)s2)C3)c1 ZINC000055154256 205142725 /nfs/dbraw/zinc/14/27/25/205142725.db2.gz LBDHRLNOVFNFEH-UHFFFAOYSA-N 1 1 395.524 5.135 50 0 GKAAMO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@@H+](Cc2sccc2C)C3)c1 ZINC000055343354 205147042 /nfs/dbraw/zinc/14/70/42/205147042.db2.gz XOPXRQZPOHSWDQ-UHFFFAOYSA-N 1 1 395.524 5.135 50 0 GKAAMO CC(C)[N@@H+](Cc1ccccc1)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000057435498 205156930 /nfs/dbraw/zinc/15/69/30/205156930.db2.gz DMXWEVDTLSSRAE-UHFFFAOYSA-N 1 1 389.524 5.062 50 0 GKAAMO CC(C)[N@H+](Cc1ccccc1)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000057435498 205156933 /nfs/dbraw/zinc/15/69/33/205156933.db2.gz DMXWEVDTLSSRAE-UHFFFAOYSA-N 1 1 389.524 5.062 50 0 GKAAMO C[C@H]([NH2+][C@@H](c1cccs1)c1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000057473805 205158476 /nfs/dbraw/zinc/15/84/76/205158476.db2.gz MXCVAGBSYDQSQF-ORAYPTAESA-N 1 1 388.895 5.247 50 0 GKAAMO COc1cccc([C@@H]2CCC[N@H+]2Cc2cc(=O)oc3cc(C)c(Cl)cc23)c1 ZINC000057614668 205159673 /nfs/dbraw/zinc/15/96/73/205159673.db2.gz WVFDHYTUJSBJPT-FQEVSTJZSA-N 1 1 383.875 5.101 50 0 GKAAMO C[C@@H]([NH2+][C@@H](c1cccs1)c1ccc(F)cc1)C(=O)Nc1ccccc1Cl ZINC000057644975 205161435 /nfs/dbraw/zinc/16/14/35/205161435.db2.gz RRQDSXYZJNESQP-BFUOFWGJSA-N 1 1 388.895 5.247 50 0 GKAAMO C[C@@H]([NH2+][C@H](c1cccs1)c1ccc(F)cc1)C(=O)Nc1ccccc1Cl ZINC000057644967 205161687 /nfs/dbraw/zinc/16/16/87/205161687.db2.gz RRQDSXYZJNESQP-YJYMSZOUSA-N 1 1 388.895 5.247 50 0 GKAAMO Cc1ccc2c(C[N@@H+](C)Cc3ccc(C(F)(F)F)cc3)cc(=O)oc2c1C ZINC000058160253 205165450 /nfs/dbraw/zinc/16/54/50/205165450.db2.gz ZHNKVXFZYHJDKS-UHFFFAOYSA-N 1 1 375.390 5.061 50 0 GKAAMO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1nc(-c2cc(F)cc(F)c2)oc1C ZINC000014973531 205179573 /nfs/dbraw/zinc/17/95/73/205179573.db2.gz BOVBNUFWALFQKT-HXUWFJFHSA-N 1 1 384.426 5.274 50 0 GKAAMO COc1ccccc1[C@H]1CCC[N@H+]1Cc1nc(-c2cc(F)cc(F)c2)oc1C ZINC000014973531 205179576 /nfs/dbraw/zinc/17/95/76/205179576.db2.gz BOVBNUFWALFQKT-HXUWFJFHSA-N 1 1 384.426 5.274 50 0 GKAAMO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000065474676 205235339 /nfs/dbraw/zinc/23/53/39/205235339.db2.gz PUHPGEJFYGGKSM-GFCCVEGCSA-N 1 1 395.812 5.602 50 0 GKAAMO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000065474676 205235343 /nfs/dbraw/zinc/23/53/43/205235343.db2.gz PUHPGEJFYGGKSM-GFCCVEGCSA-N 1 1 395.812 5.602 50 0 GKAAMO FC(F)Oc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1csc(-c2ccco2)n1 ZINC000069629904 205276293 /nfs/dbraw/zinc/27/62/93/205276293.db2.gz HGWFBXYERIHSMZ-MRXNPFEDSA-N 1 1 376.428 5.172 50 0 GKAAMO CC(C)(C)C1(c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)OCC(C)(C)CO1 ZINC000003199940 205357843 /nfs/dbraw/zinc/35/78/43/205357843.db2.gz DYHZUZDRHDVUTF-UHFFFAOYSA-N 1 1 393.571 5.517 50 0 GKAAMO COc1cccc(-c2nc(C[N@H+](C)[C@H]3CCCc4ccccc43)cs2)c1OC ZINC000032753297 206095052 /nfs/dbraw/zinc/09/50/52/206095052.db2.gz CYCHFBPJUGSCCA-FQEVSTJZSA-N 1 1 394.540 5.337 50 0 GKAAMO COc1cccc(-c2nc(C[N@@H+](C)[C@H]3CCCc4ccccc43)cs2)c1OC ZINC000032753297 206095058 /nfs/dbraw/zinc/09/50/58/206095058.db2.gz CYCHFBPJUGSCCA-FQEVSTJZSA-N 1 1 394.540 5.337 50 0 GKAAMO COc1cccc(-c2nc(C[N@H+](C)[C@@H]3CCCc4ccccc43)cs2)c1OC ZINC000032753296 206095235 /nfs/dbraw/zinc/09/52/35/206095235.db2.gz CYCHFBPJUGSCCA-HXUWFJFHSA-N 1 1 394.540 5.337 50 0 GKAAMO COc1cccc(-c2nc(C[N@@H+](C)[C@@H]3CCCc4ccccc43)cs2)c1OC ZINC000032753296 206095237 /nfs/dbraw/zinc/09/52/37/206095237.db2.gz CYCHFBPJUGSCCA-HXUWFJFHSA-N 1 1 394.540 5.337 50 0 GKAAMO C[C@H]1[C@H]2CC[C@@H](C)C[N@H+]2[C@@H]2C[C@@H]3[C@H]4CC=C5C=CCC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]12 ZINC000252515695 206141658 /nfs/dbraw/zinc/14/16/58/206141658.db2.gz MVUKDQDMGIMFPT-HEMUMSKPSA-N 1 1 379.632 6.460 50 0 GKAAMO Cc1cc(-c2cc(O)c3c(c2)C[N@@H+](C2CCCC2)CCO3)nc2cc(F)ccc12 ZINC000299776482 206188830 /nfs/dbraw/zinc/18/88/30/206188830.db2.gz CAGYVVUGUPMQME-UHFFFAOYSA-N 1 1 392.474 5.192 50 0 GKAAMO COc1ccc(-c2nc(C[N@H+](C)Cc3cccc4ncccc34)c(C)o2)cc1C ZINC000011817870 206225585 /nfs/dbraw/zinc/22/55/85/206225585.db2.gz ZVXRJWQQVSWCSL-UHFFFAOYSA-N 1 1 387.483 5.147 50 0 GKAAMO COc1ccc(-c2nc(C[N@@H+](C)Cc3cccc4ncccc34)c(C)o2)cc1C ZINC000011817870 206225590 /nfs/dbraw/zinc/22/55/90/206225590.db2.gz ZVXRJWQQVSWCSL-UHFFFAOYSA-N 1 1 387.483 5.147 50 0 GKAAMO COC(=O)CC1=CC(SCc2ccc(F)cc2Cl)=[NH+]c2ccccc2N1 ZINC000263616329 206289144 /nfs/dbraw/zinc/28/91/44/206289144.db2.gz ICGDTWIAFXZTOW-UHFFFAOYSA-N 1 1 390.867 5.315 50 0 GKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCC(C)CC2)c1 ZINC000001447701 206381619 /nfs/dbraw/zinc/38/16/19/206381619.db2.gz VKPIIFWLSDCVGG-UHFFFAOYSA-N 1 1 382.511 5.632 50 0 GKAAMO c1c(-c2ccccc2)c2c(nc[nH+]c2NCCC2=CCCCC2)n1-c1ccccc1 ZINC000001447541 206381951 /nfs/dbraw/zinc/38/19/51/206381951.db2.gz ONZVFAWGCQFRID-UHFFFAOYSA-N 1 1 394.522 6.390 50 0 GKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCC(C)CC2)cc1 ZINC000001447575 206381970 /nfs/dbraw/zinc/38/19/70/206381970.db2.gz VTCNFQYJFRSGGJ-UHFFFAOYSA-N 1 1 382.511 5.632 50 0 GKAAMO Cc1cccc(Cn2cccc2C[N@@H+](Cc2ccccc2)Cc2cccc(C)c2)c1 ZINC000096299893 211331779 /nfs/dbraw/zinc/33/17/79/211331779.db2.gz KFZNZSFNUSGDAF-UHFFFAOYSA-N 1 1 394.562 6.356 50 0 GKAAMO O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC000095508641 211259108 /nfs/dbraw/zinc/25/91/08/211259108.db2.gz SRGWJHRNNDDOMU-QHCPKHFHSA-N 1 1 385.467 5.031 50 0 GKAAMO O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC000095508641 211259114 /nfs/dbraw/zinc/25/91/14/211259114.db2.gz SRGWJHRNNDDOMU-QHCPKHFHSA-N 1 1 385.467 5.031 50 0 GKAAMO O=C(c1c[nH+]c2ccccc2c1NCc1ccc(Cl)cc1)N1CCCCC1 ZINC000072328451 211091372 /nfs/dbraw/zinc/09/13/72/211091372.db2.gz MYEIFVMTUUKQQI-UHFFFAOYSA-N 1 1 379.891 5.126 50 0 GKAAMO COc1ccccc1OC1CC[NH+](Cc2nc(-c3sccc3C)oc2C)CC1 ZINC000015069657 207045071 /nfs/dbraw/zinc/04/50/71/207045071.db2.gz SWTTYSOPLHWFTO-UHFFFAOYSA-N 1 1 398.528 5.072 50 0 GKAAMO O=C(CC[C@@H]1CCC[N@H+](Cc2sc3ccccc3c2Cl)C1)N1CCCC1 ZINC000015079376 207045619 /nfs/dbraw/zinc/04/56/19/207045619.db2.gz ONQJRSPXJULCRX-INIZCTEOSA-N 1 1 390.980 5.169 50 0 GKAAMO COc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)c(C)c1C ZINC000015066371 207043140 /nfs/dbraw/zinc/04/31/40/207043140.db2.gz QGFJKMOQTLKISF-IBGZPJMESA-N 1 1 398.522 5.082 50 0 GKAAMO CCc1ccc([C@@H]([NH2+]CC(=O)Nc2cc(C)ccc2C)c2cccs2)cc1 ZINC000015366457 207049906 /nfs/dbraw/zinc/04/99/06/207049906.db2.gz RMIIJKBRITXPTC-HSZRJFAPSA-N 1 1 378.541 5.245 50 0 GKAAMO CCc1c(C)sc2c1CC[N@@H+](Cc1ccccc1Cl)[C@H]2c1ccccc1 ZINC000015864896 207064800 /nfs/dbraw/zinc/06/48/00/207064800.db2.gz GMZJLZQPJKSMOU-QFIPXVFZSA-N 1 1 381.972 6.420 50 0 GKAAMO CCc1c(C)sc2c1CC[N@@H+](Cc1ccccc1Cl)[C@@H]2c1ccccc1 ZINC000015864895 207065060 /nfs/dbraw/zinc/06/50/60/207065060.db2.gz GMZJLZQPJKSMOU-JOCHJYFZSA-N 1 1 381.972 6.420 50 0 GKAAMO Cc1cccc(Cn2cccc2C[N@@H+](Cc2cccc(C)c2)C2CCCCC2)c1 ZINC000035844705 210698819 /nfs/dbraw/zinc/69/88/19/210698819.db2.gz YCKPNRWSOCDOSU-UHFFFAOYSA-N 1 1 386.583 6.488 50 0 GKAAMO CCOc1ccccc1-c1nc(C[N@H+](C)Cc2cc3ccccc3s2)c(C)o1 ZINC000019143651 207104804 /nfs/dbraw/zinc/10/48/04/207104804.db2.gz VIUCNLWIWSJUBR-UHFFFAOYSA-N 1 1 392.524 5.895 50 0 GKAAMO CCOc1ccccc1-c1nc(C[N@@H+](C)Cc2cc3ccccc3s2)c(C)o1 ZINC000019143651 207104807 /nfs/dbraw/zinc/10/48/07/207104807.db2.gz VIUCNLWIWSJUBR-UHFFFAOYSA-N 1 1 392.524 5.895 50 0 GKAAMO COc1ccc(F)c(-c2nc(C[N@H+]3CCC[C@H](c4ccccc4)C3)c(C)o2)c1 ZINC000020534574 207200540 /nfs/dbraw/zinc/20/05/40/207200540.db2.gz MWYHHZQJYKGZMG-SFHVURJKSA-N 1 1 380.463 5.177 50 0 GKAAMO Cc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2NC1CCCCC1 ZINC000021798008 207238152 /nfs/dbraw/zinc/23/81/52/207238152.db2.gz VCDUKLQZVWJYEX-UHFFFAOYSA-N 1 1 382.511 6.141 50 0 GKAAMO c1cn(CCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2ccccc12 ZINC000022035274 207247297 /nfs/dbraw/zinc/24/72/97/207247297.db2.gz HNZOXLJWFKYXJX-UHFFFAOYSA-N 1 1 395.550 5.049 50 0 GKAAMO COc1ccc(C[N@@H+](Cc2nc3ccccc3o2)[C@H](C)Cc2cccs2)cc1 ZINC000024892691 207297461 /nfs/dbraw/zinc/29/74/61/207297461.db2.gz ISETZIVDTGKFDB-QGZVFWFLSA-N 1 1 392.524 5.531 50 0 GKAAMO C[N@@H+](Cc1ccccc1NC(=O)[C@H]1Cc2ccccc2S1)C1CCCCC1 ZINC000024832600 207296412 /nfs/dbraw/zinc/29/64/12/207296412.db2.gz RBGXGLSAXYKZSW-JOCHJYFZSA-N 1 1 380.557 5.107 50 0 GKAAMO COc1cccc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccc(F)cc3F)oc2C)c1 ZINC000012593851 207324087 /nfs/dbraw/zinc/32/40/87/207324087.db2.gz CHGIOVWGGSAEOA-OAQYLSRUSA-N 1 1 384.426 5.274 50 0 GKAAMO COc1cccc([C@H]2CCC[N@H+]2Cc2nc(-c3ccc(F)cc3F)oc2C)c1 ZINC000012593851 207324092 /nfs/dbraw/zinc/32/40/92/207324092.db2.gz CHGIOVWGGSAEOA-OAQYLSRUSA-N 1 1 384.426 5.274 50 0 GKAAMO CC(C)[C@@H]([NH2+]Cc1csc(-c2ccsc2)n1)c1ccc2c(c1)OCCO2 ZINC000039990627 207336247 /nfs/dbraw/zinc/33/62/47/207336247.db2.gz AIHRAHQBMUYNRN-LJQANCHMSA-N 1 1 386.542 5.130 50 0 GKAAMO Clc1cccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)co2)c1 ZINC000028962525 207354284 /nfs/dbraw/zinc/35/42/84/207354284.db2.gz TVPPNVKIVJBSMN-LJQANCHMSA-N 1 1 396.874 5.103 50 0 GKAAMO Clc1cccc(-c2nc(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)co2)c1 ZINC000028962525 207354289 /nfs/dbraw/zinc/35/42/89/207354289.db2.gz TVPPNVKIVJBSMN-LJQANCHMSA-N 1 1 396.874 5.103 50 0 GKAAMO Cc1cc([C@H](c2ccccc2F)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545879 207558797 /nfs/dbraw/zinc/55/87/97/207558797.db2.gz WUNIWKGBSNYFEM-FQEVSTJZSA-N 1 1 398.503 5.616 50 0 GKAAMO CCOC(=O)CC1=CC(SCc2ccccc2Cl)=[NH+]c2ccccc2N1 ZINC000064661269 207805065 /nfs/dbraw/zinc/80/50/65/207805065.db2.gz HTTCBLZNKKGDKA-UHFFFAOYSA-N 1 1 386.904 5.566 50 0 GKAAMO C[N@@H+]1CCCc2c(c3cc(F)ccc3n2CCc2ccc(C(F)(F)F)cc2)C1 ZINC000085393237 208099718 /nfs/dbraw/zinc/09/97/18/208099718.db2.gz HPOCKVRELANFNY-UHFFFAOYSA-N 1 1 390.424 5.420 50 0 GKAAMO C[N@H+]1CCCc2c(c3cc(F)ccc3n2CCc2ccc(C(F)(F)F)cc2)C1 ZINC000085393237 208099723 /nfs/dbraw/zinc/09/97/23/208099723.db2.gz HPOCKVRELANFNY-UHFFFAOYSA-N 1 1 390.424 5.420 50 0 GKAAMO CC[NH+](CC)[C@H](C(=O)Nc1cc(F)ccc1C)c1cccc(C(F)(F)F)c1 ZINC000078808889 208063070 /nfs/dbraw/zinc/06/30/70/208063070.db2.gz XNKOUXHLERHPBI-SFHVURJKSA-N 1 1 382.401 5.175 50 0 GKAAMO Fc1ccc([C@@H]([NH2+]Cc2cc3ccccc3nc2Cl)c2cccs2)cc1 ZINC000095401037 208179000 /nfs/dbraw/zinc/17/90/00/208179000.db2.gz OJZPDMPOCYBYQC-HXUWFJFHSA-N 1 1 382.891 5.968 50 0 GKAAMO COc1ccc([C@H](c2c3ccccc3[nH]c2-c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000096318768 208305617 /nfs/dbraw/zinc/30/56/17/208305617.db2.gz XJTRELBOQDTUIM-AREMUKBSSA-N 1 1 398.506 5.265 50 0 GKAAMO C[N@@H+]1CCc2ccccc2[C@@]12C[C@@H](c1ccccc1)c1c(ccc3ccccc31)O2 ZINC000101358580 208392148 /nfs/dbraw/zinc/39/21/48/208392148.db2.gz AQKKAFOHJNMXGQ-CUBQBAPOSA-N 1 1 391.514 6.095 50 0 GKAAMO C[N@H+]1CCc2ccccc2[C@@]12C[C@@H](c1ccccc1)c1c(ccc3ccccc31)O2 ZINC000101358580 208392151 /nfs/dbraw/zinc/39/21/51/208392151.db2.gz AQKKAFOHJNMXGQ-CUBQBAPOSA-N 1 1 391.514 6.095 50 0 GKAAMO COc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2N1CCC(C)CC1 ZINC000021798217 210392523 /nfs/dbraw/zinc/39/25/23/210392523.db2.gz RSWDIZPBUKGUKV-UHFFFAOYSA-N 1 1 398.510 5.332 50 0 GKAAMO Cc1ccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](Cc3cccc4ncccc34)C2)cc1 ZINC000020996273 210373301 /nfs/dbraw/zinc/37/33/01/210373301.db2.gz DARQBUSRZOOLPP-NRFANRHFSA-N 1 1 382.511 5.313 50 0 GKAAMO Clc1ccc([C@H]([NH2+]CCc2ccccc2)c2nnc(-c3ccccc3)o2)cc1 ZINC000020852701 210362168 /nfs/dbraw/zinc/36/21/68/210362168.db2.gz LODHTHJXLMOOLH-NRFANRHFSA-N 1 1 389.886 5.312 50 0 GKAAMO Cc1cccc(C(C)C)c1NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000020363685 210328907 /nfs/dbraw/zinc/32/89/07/210328907.db2.gz XWFPLMMJGVXPLE-UHFFFAOYSA-N 1 1 398.550 5.929 50 0 GKAAMO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@H+](Cc1cccs1)CC2 ZINC000019732610 210290665 /nfs/dbraw/zinc/29/06/65/210290665.db2.gz ZQAJHSHGWFMOBD-JOCHJYFZSA-N 1 1 399.943 5.566 50 0 GKAAMO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@@H+](Cc1cccs1)CC2 ZINC000019732610 210290667 /nfs/dbraw/zinc/29/06/67/210290667.db2.gz ZQAJHSHGWFMOBD-JOCHJYFZSA-N 1 1 399.943 5.566 50 0 GKAAMO Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)nc(-c2ccc(Cl)cc2)n1 ZINC000252492569 209035368 /nfs/dbraw/zinc/03/53/68/209035368.db2.gz MPHYCIIMNNJIBX-YPAWHYETSA-N 1 1 399.966 5.011 50 0 GKAAMO C/C=C(\C)C[N@@H+]1CCOc2c(O)cc(-c3cc(C)c4ccc(F)cc4n3)cc2C1 ZINC000299782085 209089232 /nfs/dbraw/zinc/08/92/32/209089232.db2.gz FSANPQOPIXLRPJ-SYZQJQIISA-N 1 1 392.474 5.216 50 0 GKAAMO C/C=C(\C)C[N@H+]1CCOc2c(O)cc(-c3cc(C)c4ccc(F)cc4n3)cc2C1 ZINC000299782085 209089236 /nfs/dbraw/zinc/08/92/36/209089236.db2.gz FSANPQOPIXLRPJ-SYZQJQIISA-N 1 1 392.474 5.216 50 0 GKAAMO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccccc1)Cc1nc2ccccc2o1 ZINC000007797089 221012528 /nfs/dbraw/zinc/01/25/28/221012528.db2.gz UPPBPODVGDZFGY-UHFFFAOYSA-N 1 1 394.478 5.313 50 0 GKAAMO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccccc1)Cc1nc2ccccc2o1 ZINC000007797089 221012532 /nfs/dbraw/zinc/01/25/32/221012532.db2.gz UPPBPODVGDZFGY-UHFFFAOYSA-N 1 1 394.478 5.313 50 0 GKAAMO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3cccs3)cs2)cc1OC ZINC000008036352 221024780 /nfs/dbraw/zinc/02/47/80/221024780.db2.gz MZTRBYXYICGTRU-MRXNPFEDSA-N 1 1 386.542 5.226 50 0 GKAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3cccs3)cs2)cc1OC ZINC000008036352 221024783 /nfs/dbraw/zinc/02/47/83/221024783.db2.gz MZTRBYXYICGTRU-MRXNPFEDSA-N 1 1 386.542 5.226 50 0 GKAAMO c1csc(-c2nc(C[NH+]3CCC(c4nc5ccccc5s4)CC3)co2)c1 ZINC000007987516 221020619 /nfs/dbraw/zinc/02/06/19/221020619.db2.gz CZONNGACJUDLNZ-UHFFFAOYSA-N 1 1 381.526 5.392 50 0 GKAAMO COc1ccc([C@H]2CCCCC[N@H+]2[C@H](C)c2nnc(-c3ccccc3)o2)cc1 ZINC000008852771 221061756 /nfs/dbraw/zinc/06/17/56/221061756.db2.gz DQCSMRNKPJZMOD-DYESRHJHSA-N 1 1 377.488 5.424 50 0 GKAAMO COc1ccccc1OC1CC[NH+](Cc2nc(-c3ccc(C)s3)oc2C)CC1 ZINC000011813721 221126235 /nfs/dbraw/zinc/12/62/35/221126235.db2.gz LAFOIWZBUPFRRJ-UHFFFAOYSA-N 1 1 398.528 5.072 50 0 GKAAMO Cc1c([C@@H](C)[NH2+]Cc2c(F)cccc2Cl)cnn1-c1ccc(F)cc1F ZINC000011839755 221130672 /nfs/dbraw/zinc/13/06/72/221130672.db2.gz YPTSTCMTQAOLNX-LLVKDONJSA-N 1 1 379.813 5.102 50 0 GKAAMO CC(C)c1nc(C[NH2+]Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)cs1 ZINC000011663548 221120636 /nfs/dbraw/zinc/12/06/36/221120636.db2.gz NPLRNCPWWOMSPN-UHFFFAOYSA-N 1 1 388.540 5.613 50 0 GKAAMO CCN(Cc1csc(C(C)=O)c1)CC1CC[NH+](CCc2ccccc2C)CC1 ZINC000011950550 221141307 /nfs/dbraw/zinc/14/13/07/221141307.db2.gz JSIVWQNUBHZKEF-UHFFFAOYSA-N 1 1 398.616 5.036 50 0 GKAAMO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1C[N@H+]1CCCC[C@H]1CCO ZINC000012074942 221147747 /nfs/dbraw/zinc/14/77/47/221147747.db2.gz LWHQXRFFXIAGDE-FQEVSTJZSA-N 1 1 392.499 5.179 50 0 GKAAMO CCC(CC)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2-c2ccc(OC)cc2)C1 ZINC000012195726 221166471 /nfs/dbraw/zinc/16/64/71/221166471.db2.gz PIQBFBODJKOJST-IBGZPJMESA-N 1 1 380.532 5.201 50 0 GKAAMO COc1cc(-c2nc(C[N@@H+](C)[C@H]3CCCc4ccccc43)c(C)o2)ccc1F ZINC000012572357 221208623 /nfs/dbraw/zinc/20/86/23/221208623.db2.gz RQZLXAYTIZQVDZ-NRFANRHFSA-N 1 1 380.463 5.307 50 0 GKAAMO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3c3ccccc3OC)c(C)o2)cc1C ZINC000012596211 221213403 /nfs/dbraw/zinc/21/34/03/221213403.db2.gz ZGTHYSWEKKPLCZ-NRFANRHFSA-N 1 1 392.499 5.313 50 0 GKAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@H]3c3ccccc3OC)c(C)o2)cc1C ZINC000012596211 221213406 /nfs/dbraw/zinc/21/34/06/221213406.db2.gz ZGTHYSWEKKPLCZ-NRFANRHFSA-N 1 1 392.499 5.313 50 0 GKAAMO Cc1cccc(C)c1NC(=O)C[NH2+][C@@H](c1cccs1)c1ccc(C(C)C)cc1 ZINC000012755349 221225649 /nfs/dbraw/zinc/22/56/49/221225649.db2.gz RQTGKUNIXOWOEG-XMMPIXPASA-N 1 1 392.568 5.806 50 0 GKAAMO COc1ccc(C[N@H+](Cc2nc(C(C)(C)C)no2)[C@@H](C)Cc2cccs2)cc1 ZINC000012777654 221230170 /nfs/dbraw/zinc/23/01/70/221230170.db2.gz MJTMPUPCAMDIDP-INIZCTEOSA-N 1 1 399.560 5.071 50 0 GKAAMO COc1ccc(C[N@@H+](Cc2nc(C(C)(C)C)no2)[C@@H](C)Cc2cccs2)cc1 ZINC000012777654 221230173 /nfs/dbraw/zinc/23/01/73/221230173.db2.gz MJTMPUPCAMDIDP-INIZCTEOSA-N 1 1 399.560 5.071 50 0 GKAAMO Cc1[nH+]c2cc(N[C@@H](C)C(=O)Nc3cccc(C)c3)ccc2n1-c1ccccc1 ZINC000013068950 221260467 /nfs/dbraw/zinc/26/04/67/221260467.db2.gz APJGASPFUVUHPG-KRWDZBQOSA-N 1 1 384.483 5.081 50 0 GKAAMO COc1ccc(C)cc1NC(=O)[C@H]([NH2+][C@@H](C)c1cccs1)c1ccccc1 ZINC000014140823 221300517 /nfs/dbraw/zinc/30/05/17/221300517.db2.gz VZUSLPCOKBKDGQ-HRAATJIYSA-N 1 1 380.513 5.096 50 0 GKAAMO Cc1ccc(C)c(C[N@H+]2CCc3c4c(sc3[C@H]2c2ccccc2)CCCC4)c1 ZINC000015864824 221350008 /nfs/dbraw/zinc/35/00/08/221350008.db2.gz IMSBJUPMRSJJQN-RUZDIDTESA-N 1 1 387.592 6.391 50 0 GKAAMO C[NH+]1CCN(c2ccc(Nc3ccnc4cc(Cl)ccc43)cc2Cl)CC1 ZINC000004499238 136193891 /nfs/dbraw/zinc/19/38/91/136193891.db2.gz MUIDVQFFIMNAMA-UHFFFAOYSA-N 1 1 387.314 5.037 50 0 GKAAMO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](c2cccs2)c2ccc(F)cc2)cc1F ZINC000057547865 222035597 /nfs/dbraw/zinc/03/55/97/222035597.db2.gz NGUUQXCGIDQJGO-VBKZILBWSA-N 1 1 386.467 5.041 50 0 GKAAMO c1ccc(CN(Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)cc1 ZINC000055200066 222018876 /nfs/dbraw/zinc/01/88/76/222018876.db2.gz KRTPTIFSWFXFSA-DEOSSOPVSA-N 1 1 377.576 5.129 50 0 GKAAMO COc1cc(-c2cccnc2)cc2c1OCC[N@@H+](Cc1ccc3ccccc3c1)C2 ZINC000064066869 222069248 /nfs/dbraw/zinc/06/92/48/222069248.db2.gz JVBRVQDQVWJJAS-UHFFFAOYSA-N 1 1 396.490 5.305 50 0 GKAAMO COc1ccc(Cl)cc1C[NH+](Cc1cc(Cl)ccc1OC)CC1CC1 ZINC000065512974 222133462 /nfs/dbraw/zinc/13/34/62/222133462.db2.gz MXNZFJSQQUEJHL-UHFFFAOYSA-N 1 1 380.315 5.423 50 0 GKAAMO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@H+](C)[C@@H](C)c2ccon2)cc1 ZINC000072435291 222260999 /nfs/dbraw/zinc/26/09/99/222260999.db2.gz NBBAFZVUMZQFJN-KRWDZBQOSA-N 1 1 387.483 5.400 50 0 GKAAMO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@@H+](C)[C@@H](C)c2ccon2)cc1 ZINC000072435291 222261001 /nfs/dbraw/zinc/26/10/01/222261001.db2.gz NBBAFZVUMZQFJN-KRWDZBQOSA-N 1 1 387.483 5.400 50 0 GKAAMO CC[NH+](CC)[C@@H](C(=O)Nc1cc(F)ccc1C)c1cccc(C(F)(F)F)c1 ZINC000078808890 222296484 /nfs/dbraw/zinc/29/64/84/222296484.db2.gz XNKOUXHLERHPBI-GOSISDBHSA-N 1 1 382.401 5.175 50 0 GKAAMO O=C(NC1CC1)c1ccc(C[N@@H+](Cc2ccc(Cl)cc2Cl)C2CC2)cc1 ZINC000025180964 527494362 /nfs/dbraw/zinc/49/43/62/527494362.db2.gz GHBKXLIAQXBSMP-UHFFFAOYSA-N 1 1 389.326 5.050 50 0 GKAAMO O=C(NC1CC1)c1ccc(C[N@H+](Cc2ccc(Cl)cc2Cl)C2CC2)cc1 ZINC000025180964 527494366 /nfs/dbraw/zinc/49/43/66/527494366.db2.gz GHBKXLIAQXBSMP-UHFFFAOYSA-N 1 1 389.326 5.050 50 0 GKAAMO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@H+](Cc1cccs1)CC2 ZINC000019732608 570211931 /nfs/dbraw/zinc/21/19/31/570211931.db2.gz ZQAJHSHGWFMOBD-QFIPXVFZSA-N 1 1 399.943 5.566 50 0 GKAAMO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@@H+](Cc1cccs1)CC2 ZINC000019732608 570211934 /nfs/dbraw/zinc/21/19/34/570211934.db2.gz ZQAJHSHGWFMOBD-QFIPXVFZSA-N 1 1 399.943 5.566 50 0 GKAAMO O=C(Nc1ccccc1Cl)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019794445 570219996 /nfs/dbraw/zinc/21/99/96/570219996.db2.gz FSJLKVCPANXFLU-UHFFFAOYSA-N 1 1 376.887 5.151 50 0 GKAAMO Cc1ccc(C[N@@H+](C)[C@H](C)c2nc(=O)c3c(-c4ccco4)csc3[nH]2)c(C)c1 ZINC000012807747 570222224 /nfs/dbraw/zinc/22/22/24/570222224.db2.gz DNOJSQRJKBDKCL-OAHLLOKOSA-N 1 1 393.512 5.054 50 0 GKAAMO Cc1ccc(C[N@H+](C)[C@H](C)c2nc(=O)c3c(-c4ccco4)csc3[nH]2)c(C)c1 ZINC000012807747 570222226 /nfs/dbraw/zinc/22/22/26/570222226.db2.gz DNOJSQRJKBDKCL-OAHLLOKOSA-N 1 1 393.512 5.054 50 0 GKAAMO Cc1ncc(C[N@H+]2CCC[C@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)s1 ZINC000019836871 570224260 /nfs/dbraw/zinc/22/42/60/570224260.db2.gz MSDMSECZCXWOFN-NRFANRHFSA-N 1 1 376.525 5.213 50 0 GKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCC(C)C)cc1 ZINC000001447738 570225667 /nfs/dbraw/zinc/22/56/67/570225667.db2.gz LWAGERCLRPOCIB-UHFFFAOYSA-N 1 1 386.499 5.554 50 0 GKAAMO CC(=O)Nc1ccc(C[N@@H+]2CCCCC[C@H]2c2cc(-c3cccs3)on2)cc1 ZINC000012185585 570229478 /nfs/dbraw/zinc/22/94/78/570229478.db2.gz VURMILXEHPHQJE-FQEVSTJZSA-N 1 1 395.528 5.479 50 0 GKAAMO CC(=O)Nc1ccc(C[N@H+]2CCCCC[C@H]2c2cc(-c3cccs3)on2)cc1 ZINC000012185585 570229481 /nfs/dbraw/zinc/22/94/81/570229481.db2.gz VURMILXEHPHQJE-FQEVSTJZSA-N 1 1 395.528 5.479 50 0 GKAAMO CC(=O)Nc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3cccs3)on2)cc1 ZINC000012185580 570229490 /nfs/dbraw/zinc/22/94/90/570229490.db2.gz VURMILXEHPHQJE-HXUWFJFHSA-N 1 1 395.528 5.479 50 0 GKAAMO CC(=O)Nc1ccc(C[N@H+]2CCCCC[C@@H]2c2cc(-c3cccs3)on2)cc1 ZINC000012185580 570229492 /nfs/dbraw/zinc/22/94/92/570229492.db2.gz VURMILXEHPHQJE-HXUWFJFHSA-N 1 1 395.528 5.479 50 0 GKAAMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2coc(-c3ccc(Cl)cc3)n2)cc1OC ZINC000048276329 570230085 /nfs/dbraw/zinc/23/00/85/570230085.db2.gz VSJGPSYEGYKVHV-IBGZPJMESA-N 1 1 398.890 5.349 50 0 GKAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2coc(-c3ccc(Cl)cc3)n2)cc1OC ZINC000048276329 570230088 /nfs/dbraw/zinc/23/00/88/570230088.db2.gz VSJGPSYEGYKVHV-IBGZPJMESA-N 1 1 398.890 5.349 50 0 GKAAMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2coc(-c3ccc(C)cc3C)n2)cc1OC ZINC000048303831 570231980 /nfs/dbraw/zinc/23/19/80/570231980.db2.gz ZWORLAZMEKZNTP-NRFANRHFSA-N 1 1 392.499 5.313 50 0 GKAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2coc(-c3ccc(C)cc3C)n2)cc1OC ZINC000048303831 570231984 /nfs/dbraw/zinc/23/19/84/570231984.db2.gz ZWORLAZMEKZNTP-NRFANRHFSA-N 1 1 392.499 5.313 50 0 GKAAMO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+](Cc1ccco1)C1CCCC1 ZINC000048311005 570233512 /nfs/dbraw/zinc/23/35/12/570233512.db2.gz TZCGEPLEPRVDTE-UHFFFAOYSA-N 1 1 382.548 5.910 50 0 GKAAMO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000048311005 570233513 /nfs/dbraw/zinc/23/35/13/570233513.db2.gz TZCGEPLEPRVDTE-UHFFFAOYSA-N 1 1 382.548 5.910 50 0 GKAAMO Cc1ccc(C)c(NC(=O)[C@H]([NH2+][C@@H]2CCCc3ccccc32)c2ccccc2)c1 ZINC000006086214 570240163 /nfs/dbraw/zinc/24/01/63/570240163.db2.gz QVUCQRRTJLTYFT-ILBGXUMGSA-N 1 1 384.523 5.650 50 0 GKAAMO COc1ccccc1C1CC[NH+](Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000023314951 570240886 /nfs/dbraw/zinc/24/08/86/570240886.db2.gz VFQDRVSOAMGDGZ-UHFFFAOYSA-N 1 1 398.959 5.852 50 0 GKAAMO Clc1ccc(C[NH+]2CCC(c3nnc(-c4ccco4)s3)CC2)cc1Cl ZINC000049366548 570263097 /nfs/dbraw/zinc/26/30/97/570263097.db2.gz ZKBVVWHRFXZNPM-UHFFFAOYSA-N 1 1 394.327 5.485 50 0 GKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccco2)cc1 ZINC000001447574 570263543 /nfs/dbraw/zinc/26/35/43/570263543.db2.gz JKURSCUPQBTARJ-UHFFFAOYSA-N 1 1 380.451 5.601 50 0 GKAAMO CCc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2ccc(Cl)cc2)ccc1O ZINC000020607616 570271534 /nfs/dbraw/zinc/27/15/34/570271534.db2.gz INNVAFCCUUWNAL-QPTUXGOLSA-N 1 1 399.962 5.476 50 0 GKAAMO CCc1c(C)sc2c1CC[N@H+](Cc1ccc(F)cc1Cl)[C@@H]2c1ccccc1 ZINC000015864899 570280132 /nfs/dbraw/zinc/28/01/32/570280132.db2.gz MFDKRCFRFDVBEY-JOCHJYFZSA-N 1 1 399.962 6.559 50 0 GKAAMO CCc1c(C)sc2c1CC[N@@H+](Cc1ccc(F)cc1Cl)[C@@H]2c1ccccc1 ZINC000015864899 570280133 /nfs/dbraw/zinc/28/01/33/570280133.db2.gz MFDKRCFRFDVBEY-JOCHJYFZSA-N 1 1 399.962 6.559 50 0 GKAAMO Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000020917895 570284985 /nfs/dbraw/zinc/28/49/85/570284985.db2.gz YVZDBPRCBQRKGS-OAHLLOKOSA-N 1 1 379.485 5.232 50 0 GKAAMO CSc1ccc(C[N@@H+]2CCCn3c4ccc(C)cc4c4c3[C@H]2CCC4)cc1 ZINC000022078019 570305416 /nfs/dbraw/zinc/30/54/16/570305416.db2.gz BNXOGEFXUVQPRS-HSZRJFAPSA-N 1 1 376.569 5.955 50 0 GKAAMO CSc1ccc(C[N@H+]2CCCn3c4ccc(C)cc4c4c3[C@H]2CCC4)cc1 ZINC000022078019 570305417 /nfs/dbraw/zinc/30/54/17/570305417.db2.gz BNXOGEFXUVQPRS-HSZRJFAPSA-N 1 1 376.569 5.955 50 0 GKAAMO c1ccc(Oc2cccc(CN3CC[N@H+]4CCC[C@@H]4[C@H]3C3CCCCC3)c2)cc1 ZINC000584904407 570319305 /nfs/dbraw/zinc/31/93/05/570319305.db2.gz ICFIGWARIJACRJ-CLJLJLNGSA-N 1 1 390.571 5.708 50 0 GKAAMO CCCC[N@@H+](C)C[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000003138242 570330325 /nfs/dbraw/zinc/33/03/25/570330325.db2.gz FVYIMPLVUUSCJL-MRXNPFEDSA-N 1 1 379.331 5.194 50 0 GKAAMO CC[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000026492394 570336425 /nfs/dbraw/zinc/33/64/25/570336425.db2.gz CGYLKCFPBQHAJI-HSZRJFAPSA-N 1 1 380.532 5.247 50 0 GKAAMO CC[C@H](Oc1ccccc1)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000026492398 570336519 /nfs/dbraw/zinc/33/65/19/570336519.db2.gz CGYLKCFPBQHAJI-QHCPKHFHSA-N 1 1 380.532 5.247 50 0 GKAAMO O=C(CC[N@@H+]1CC=C(c2ccc(O)cc2)CC1)Nc1ccccc1-c1ccccc1 ZINC000023079695 570343335 /nfs/dbraw/zinc/34/33/35/570343335.db2.gz VIVXMZVNMATKOU-UHFFFAOYSA-N 1 1 398.506 5.177 50 0 GKAAMO COc1cc(Nc2c3cc(Cl)ccc3[nH+]c3c2CCCC3)cc(OC)c1OC ZINC000004923973 570370453 /nfs/dbraw/zinc/37/04/53/570370453.db2.gz ZKIOLXAAKWEGLM-UHFFFAOYSA-N 1 1 398.890 5.536 50 0 GKAAMO COc1cc(Nc2c3ccc(Cl)cc3[nH+]c3c2CCCC3)cc(OC)c1OC ZINC000004924463 570370623 /nfs/dbraw/zinc/37/06/23/570370623.db2.gz GFAQZDZVGYBGIM-UHFFFAOYSA-N 1 1 398.890 5.536 50 0 GKAAMO c1csc(-c2cc(C[N@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)no2)c1 ZINC000023995559 570376681 /nfs/dbraw/zinc/37/66/81/570376681.db2.gz NTMHIMYHBHOQPU-CQSZACIVSA-N 1 1 381.526 5.392 50 0 GKAAMO CCOc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CC[N@H+]1C/C=C/c1ccccc1 ZINC000020529083 570382705 /nfs/dbraw/zinc/38/27/05/570382705.db2.gz YHYQZSVKBBWONV-OLECZQGESA-N 1 1 391.555 5.467 50 0 biogenic GKAAMO Clc1ccc([C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)c2ccccc2)cc1 ZINC000024773593 570393062 /nfs/dbraw/zinc/39/30/62/570393062.db2.gz VFDAKFWQHBQDKD-XMMPIXPASA-N 1 1 387.914 5.464 50 0 GKAAMO C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1Cc2ccccc2S1)C1CCCCC1 ZINC000024832598 570394856 /nfs/dbraw/zinc/39/48/56/570394856.db2.gz RBGXGLSAXYKZSW-QFIPXVFZSA-N 1 1 380.557 5.107 50 0 GKAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000025414951 570413355 /nfs/dbraw/zinc/41/33/55/570413355.db2.gz MOILVZQKHZLEJV-XMMPIXPASA-N 1 1 386.495 5.138 50 0 GKAAMO COc1cc(C[N@@H+](C)Cc2cccc3ccccc32)ccc1OCc1ccccc1 ZINC000004986544 570421449 /nfs/dbraw/zinc/42/14/49/570421449.db2.gz KGMZBUREXKZUEH-UHFFFAOYSA-N 1 1 397.518 6.059 50 0 GKAAMO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@H+]([C@@H]1CC[C@@H](C)C1)CC2 ZINC000005033060 570425266 /nfs/dbraw/zinc/42/52/66/570425266.db2.gz ISLQETMKIRTGFE-ZOUOIUENSA-N 1 1 385.935 5.493 50 0 GKAAMO Cc1c2ccccc2oc1C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000027794703 570442952 /nfs/dbraw/zinc/44/29/52/570442952.db2.gz FWIWOFSWIJEOHO-FQEVSTJZSA-N 1 1 396.918 5.352 50 0 GKAAMO Cc1c2ccccc2oc1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000027794701 570442970 /nfs/dbraw/zinc/44/29/70/570442970.db2.gz FWIWOFSWIJEOHO-HXUWFJFHSA-N 1 1 396.918 5.352 50 0 GKAAMO CCN(CC)CC[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000028428333 570459665 /nfs/dbraw/zinc/45/96/65/570459665.db2.gz BKXWIUDMFXLSIH-UHFFFAOYSA-N 1 1 381.347 5.004 50 0 GKAAMO COCCC[N@@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1ccccc1C ZINC000035841021 570463448 /nfs/dbraw/zinc/46/34/48/570463448.db2.gz WEJFBPVZDMDWRX-UHFFFAOYSA-N 1 1 380.507 5.023 50 0 GKAAMO COc1cccc(Cn2cccc2C[N@@H+](Cc2ccccc2C)[C@H](C)C(C)C)c1 ZINC000035841130 570463770 /nfs/dbraw/zinc/46/37/70/570463770.db2.gz QXQUUZLQFOKNRV-JOCHJYFZSA-N 1 1 390.571 5.900 50 0 GKAAMO CC(C)[C@H](C)[N@@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1ccccc1F ZINC000035841240 570463792 /nfs/dbraw/zinc/46/37/92/570463792.db2.gz MVPQKHJDIQXJJS-IBGZPJMESA-N 1 1 382.498 5.861 50 0 GKAAMO CC(C)CC[N@@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(Cl)c1 ZINC000035843761 570464285 /nfs/dbraw/zinc/46/42/85/570464285.db2.gz BMEMQPPFTVAQID-UHFFFAOYSA-N 1 1 398.953 6.377 50 0 GKAAMO CCC[N@@H+](CCc1c[nH]c2ccc(NC(=O)Cc3ccccc3)cc12)CC1CC1 ZINC000022660079 570483093 /nfs/dbraw/zinc/48/30/93/570483093.db2.gz PHJUNCNWBASQKS-UHFFFAOYSA-N 1 1 389.543 5.014 50 0 GKAAMO COc1cccc(C[NH2+]Cc2ccco2)c1OCc1ccc(Cl)cc1Cl ZINC000007523604 570507189 /nfs/dbraw/zinc/50/71/89/570507189.db2.gz XJCQVLCOCBUWFK-UHFFFAOYSA-N 1 1 392.282 5.464 50 0 GKAAMO COc1ccc(C[N@H+]2CCCCC[C@H]2c2sccc2C)c(OC)c1OC ZINC000033087131 570519637 /nfs/dbraw/zinc/51/96/37/570519637.db2.gz LYJSPIKTVLJFDM-KRWDZBQOSA-N 1 1 375.534 5.200 50 0 GKAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CCCCC[C@@H]1c1sccc1C ZINC000033087176 570519851 /nfs/dbraw/zinc/51/98/51/570519851.db2.gz SQHMYRUIBKJHEV-QGZVFWFLSA-N 1 1 375.534 5.200 50 0 GKAAMO CSc1ccc(C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000006654429 570521108 /nfs/dbraw/zinc/52/11/08/570521108.db2.gz KXLAIEOVSSJFDR-UHFFFAOYSA-N 1 1 376.525 5.293 50 0 GKAAMO COc1ccc(C[N@H+]2CCCC[C@@H]2c2cccnc2)cc1OCc1ccccc1 ZINC000001193428 570535270 /nfs/dbraw/zinc/53/52/70/570535270.db2.gz DZEAWTMYCXLWJR-HSZRJFAPSA-N 1 1 388.511 5.396 50 0 GKAAMO O=C(Nc1cccc2ccccc21)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000020494690 570537392 /nfs/dbraw/zinc/53/73/92/570537392.db2.gz SWXBAUCLIHPQNE-UHFFFAOYSA-N 1 1 392.502 5.650 50 0 GKAAMO COc1ccc(C[N@@H+]2CCCn3c4ccc(C)cc4c4c3[C@H]2CCC4)cc1OC ZINC000022078001 570537767 /nfs/dbraw/zinc/53/77/67/570537767.db2.gz UXPROVIXPHTLDY-JOCHJYFZSA-N 1 1 390.527 5.250 50 0 GKAAMO COc1ccc(C[N@H+]2CCCn3c4ccc(C)cc4c4c3[C@H]2CCC4)cc1OC ZINC000022078001 570537768 /nfs/dbraw/zinc/53/77/68/570537768.db2.gz UXPROVIXPHTLDY-JOCHJYFZSA-N 1 1 390.527 5.250 50 0 GKAAMO CCOc1cc(C[N@@H+]2CCCn3c4ccc(C)cc4c4c3[C@H]2CCC4)ccc1O ZINC000022078005 570537902 /nfs/dbraw/zinc/53/79/02/570537902.db2.gz VTWKSSRJXDRURB-JOCHJYFZSA-N 1 1 390.527 5.337 50 0 GKAAMO CCOc1cc(C[N@H+]2CCCn3c4ccc(C)cc4c4c3[C@H]2CCC4)ccc1O ZINC000022078005 570537905 /nfs/dbraw/zinc/53/79/05/570537905.db2.gz VTWKSSRJXDRURB-JOCHJYFZSA-N 1 1 390.527 5.337 50 0 GKAAMO C(=C/c1ccccc1)\CN1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000019632930 570543262 /nfs/dbraw/zinc/54/32/62/570543262.db2.gz ANMCKKHPKMNDQU-KPKJPENVSA-N 1 1 398.550 5.097 50 0 GKAAMO C(=C/c1ccccc1)\C[NH+]1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000019632930 570543264 /nfs/dbraw/zinc/54/32/64/570543264.db2.gz ANMCKKHPKMNDQU-KPKJPENVSA-N 1 1 398.550 5.097 50 0 GKAAMO Fc1cc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c2c(c1)CO[C@@H](c1ccccc1)O2 ZINC000034892486 570546724 /nfs/dbraw/zinc/54/67/24/570546724.db2.gz DDWCKFWWUMGCPG-FXAWDEMLSA-N 1 1 395.396 5.208 50 0 GKAAMO Fc1cc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)c2c(c1)CO[C@@H](c1ccccc1)O2 ZINC000034892486 570546727 /nfs/dbraw/zinc/54/67/27/570546727.db2.gz DDWCKFWWUMGCPG-FXAWDEMLSA-N 1 1 395.396 5.208 50 0 GKAAMO CCNc1nc(Nc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)cc(C)[nH+]1 ZINC000064800786 570547560 /nfs/dbraw/zinc/54/75/60/570547560.db2.gz GRTOBTNXENCPTK-UHFFFAOYSA-N 1 1 397.482 5.366 50 0 GKAAMO COc1ccc2cc(-c3n[nH]cc3C[N@@H+]3CCC[C@@H]3c3nccs3)ccc2c1 ZINC000011664337 570578360 /nfs/dbraw/zinc/57/83/60/570578360.db2.gz GXNIMKSAARPCCT-HXUWFJFHSA-N 1 1 390.512 5.032 50 0 GKAAMO COc1ccc2cc(-c3n[nH]cc3C[N@H+]3CCC[C@@H]3c3nccs3)ccc2c1 ZINC000011664337 570578363 /nfs/dbraw/zinc/57/83/63/570578363.db2.gz GXNIMKSAARPCCT-HXUWFJFHSA-N 1 1 390.512 5.032 50 0 GKAAMO CCOc1ccccc1-c1nc(C[N@H+](Cc2ccccc2)CC2CC2)c(C)o1 ZINC000012202881 570625148 /nfs/dbraw/zinc/62/51/48/570625148.db2.gz AHHRCPLSCVZPBX-UHFFFAOYSA-N 1 1 376.500 5.461 50 0 GKAAMO COc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccccc2Cl)cc1OC ZINC000036347664 570629608 /nfs/dbraw/zinc/62/96/08/570629608.db2.gz VPRINSHIEBLXIX-HSZRJFAPSA-N 1 1 396.918 5.154 50 0 GKAAMO COc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2Cl)cc1OC ZINC000036347664 570629610 /nfs/dbraw/zinc/62/96/10/570629610.db2.gz VPRINSHIEBLXIX-HSZRJFAPSA-N 1 1 396.918 5.154 50 0 GKAAMO Cc1cccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2C(F)(F)F)c1 ZINC000036348403 570629679 /nfs/dbraw/zinc/62/96/79/570629679.db2.gz CXKMEZAJZTXQDO-JOCHJYFZSA-N 1 1 384.445 5.811 50 0 GKAAMO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@@H+](C)[C@H](C)c1cccs1 ZINC000012304249 570637720 /nfs/dbraw/zinc/63/77/20/570637720.db2.gz FOBYHRYTAYOFII-GFCCVEGCSA-N 1 1 380.435 5.923 50 0 GKAAMO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@H+](C)[C@H](C)c1cccs1 ZINC000012304249 570637723 /nfs/dbraw/zinc/63/77/23/570637723.db2.gz FOBYHRYTAYOFII-GFCCVEGCSA-N 1 1 380.435 5.923 50 0 GKAAMO CSc1ccccc1C(=O)[C@@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000012448051 570667406 /nfs/dbraw/zinc/66/74/06/570667406.db2.gz CSXGMAPSJDKGQF-LJQANCHMSA-N 1 1 376.525 5.052 50 0 GKAAMO CCOc1ccccc1-c1nc(C[N@@H+]2CCCC[C@H]2c2ccccn2)c(C)o1 ZINC000012430966 570675041 /nfs/dbraw/zinc/67/50/41/570675041.db2.gz JLNQOZDZLRRUAV-NRFANRHFSA-N 1 1 377.488 5.171 50 0 GKAAMO CCOc1ccccc1-c1nc(C[N@H+]2CCCC[C@H]2c2ccccn2)c(C)o1 ZINC000012430966 570675044 /nfs/dbraw/zinc/67/50/44/570675044.db2.gz JLNQOZDZLRRUAV-NRFANRHFSA-N 1 1 377.488 5.171 50 0 GKAAMO CC(C)c1ccc(NC(=O)C[NH2+][C@H](C)c2cc(F)c(Cl)cc2Cl)cc1 ZINC000006881370 570676516 /nfs/dbraw/zinc/67/65/16/570676516.db2.gz CDPFYOXOHNJRHE-GFCCVEGCSA-N 1 1 383.294 5.545 50 0 GKAAMO Fc1cccc(CN(Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000055132473 570683934 /nfs/dbraw/zinc/68/39/34/570683934.db2.gz IMANVXMNEMAXJQ-HSZRJFAPSA-N 1 1 395.566 5.268 50 0 GKAAMO CC(C)Oc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)cc1 ZINC000012705152 570699912 /nfs/dbraw/zinc/69/99/12/570699912.db2.gz RACBDFLDLNZJBH-IBGZPJMESA-N 1 1 398.522 5.244 50 0 GKAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2cc3ccccc3o2)C1)Nc1ccccc1F ZINC000012710575 570702149 /nfs/dbraw/zinc/70/21/49/570702149.db2.gz LTMDIRPJABLZRZ-QGZVFWFLSA-N 1 1 380.463 5.203 50 0 GKAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000017245155 570702214 /nfs/dbraw/zinc/70/22/14/570702214.db2.gz LZQFQOVIWCMKSK-DMVNYMPASA-N 1 1 397.603 5.157 50 0 GKAAMO COc1ccc(C[NH2+][C@H](C)c2cnn(-c3cccc4ccccc43)c2C)c(F)c1 ZINC000012713762 570703813 /nfs/dbraw/zinc/70/38/13/570703813.db2.gz DXLFRNGZJBJBAD-MRXNPFEDSA-N 1 1 389.474 5.332 50 0 GKAAMO Cc1cccc(Cn2cccc2C[N@@H+](Cc2ccccc2F)[C@@H](C)C(C)C)c1 ZINC000004379065 570722954 /nfs/dbraw/zinc/72/29/54/570722954.db2.gz ITZBEKRIBFDVOD-NRFANRHFSA-N 1 1 378.535 6.031 50 0 GKAAMO CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2Cl)[nH+]c2ccc(Cl)cn21 ZINC000004382823 570726889 /nfs/dbraw/zinc/72/68/89/570726889.db2.gz OYGLCVYLNFFRGJ-UHFFFAOYSA-N 1 1 390.358 6.935 50 0 GKAAMO COc1ccc(OC)c(-c2[nH+]c3ccccn3c2NC(C)(C)CC(C)(C)C)c1 ZINC000004382167 570727053 /nfs/dbraw/zinc/72/70/53/570727053.db2.gz UXSLYACISLUIPP-UHFFFAOYSA-N 1 1 381.520 5.645 50 0 GKAAMO c1ccc(C(c2ccccc2)[NH+]2CC(Sc3nc4ccccc4s3)C2)cc1 ZINC000059602185 570738757 /nfs/dbraw/zinc/73/87/57/570738757.db2.gz MGCSJDRYDBYMDT-UHFFFAOYSA-N 1 1 388.561 5.862 50 0 GKAAMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)Cc2ccccc2)cc1Cl ZINC000013038831 570743237 /nfs/dbraw/zinc/74/32/37/570743237.db2.gz KLDKEBZJKAIPGM-JOCHJYFZSA-N 1 1 378.903 5.460 50 0 GKAAMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)Cc2ccccc2)cc1Cl ZINC000013038831 570743240 /nfs/dbraw/zinc/74/32/40/570743240.db2.gz KLDKEBZJKAIPGM-JOCHJYFZSA-N 1 1 378.903 5.460 50 0 GKAAMO C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+](C)Cc1cccc(Cl)c1 ZINC000013058950 570744177 /nfs/dbraw/zinc/74/41/77/570744177.db2.gz VSYKGJMXVFGFTG-SFHVURJKSA-N 1 1 392.930 5.066 50 0 GKAAMO C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000013058950 570744181 /nfs/dbraw/zinc/74/41/81/570744181.db2.gz VSYKGJMXVFGFTG-SFHVURJKSA-N 1 1 392.930 5.066 50 0 GKAAMO CCOCCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000021797929 570745928 /nfs/dbraw/zinc/74/59/28/570745928.db2.gz ULVMYOHBQZXZLW-UHFFFAOYSA-N 1 1 390.462 5.065 50 0 GKAAMO Cc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2NCc1ccccc1 ZINC000021797954 570746131 /nfs/dbraw/zinc/74/61/31/570746131.db2.gz NMVLZTAYOASLBZ-UHFFFAOYSA-N 1 1 390.490 6.008 50 0 GKAAMO CCNc1nc(Nc2ccc(NC(=O)Nc3cc(C)cc(C)c3)cc2)cc(C)[nH+]1 ZINC000064801409 570756289 /nfs/dbraw/zinc/75/62/89/570756289.db2.gz AEAVAJHLYXLTQN-UHFFFAOYSA-N 1 1 390.491 5.221 50 0 GKAAMO CCNc1nc(Nc2ccc(NC(=O)Nc3ccc(C)c(F)c3)cc2)cc(C)[nH+]1 ZINC000064801410 570756391 /nfs/dbraw/zinc/75/63/91/570756391.db2.gz MERPJIPTFYXXMX-UHFFFAOYSA-N 1 1 394.454 5.052 50 0 GKAAMO CCNc1nc(Nc2ccc(NC(=O)Nc3ccc(C)c(C)c3)cc2)cc(C)[nH+]1 ZINC000064801400 570756437 /nfs/dbraw/zinc/75/64/37/570756437.db2.gz BYWOFVLWTCWHMW-UHFFFAOYSA-N 1 1 390.491 5.221 50 0 GKAAMO Cc1ccc2cc(C3(O)CC[NH+](Cc4c(F)ccc(C)c4Cl)CC3)ccc2n1 ZINC000067713402 570787214 /nfs/dbraw/zinc/78/72/14/570787214.db2.gz LRBDSWHACODMGA-UHFFFAOYSA-N 1 1 398.909 5.128 50 0 GKAAMO CCCCN(C)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000004658125 570809216 /nfs/dbraw/zinc/80/92/16/570809216.db2.gz DCXTWFVSTMVJQF-UHFFFAOYSA-N 1 1 390.918 5.977 50 0 GKAAMO Cc1c(Cl)cccc1NC(=S)N1CCC([N@H+](C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000004668256 570814388 /nfs/dbraw/zinc/81/43/88/570814388.db2.gz YTRKDPGXSAKKPS-MGPUTAFESA-N 1 1 394.028 5.320 50 0 GKAAMO Cc1cc(C)c(NC(=S)N2CCC([N@H+](C)[C@@H]3CCCC[C@@H]3C)CC2)c(C)c1 ZINC000004668293 570814543 /nfs/dbraw/zinc/81/45/43/570814543.db2.gz LALVAULETQZLKL-LAUBAEHRSA-N 1 1 387.637 5.284 50 0 GKAAMO CSc1cccc(NC(=S)N2CCC([N@@H+](C)[C@@H]3CCCC[C@@H]3C)CC2)c1 ZINC000004668255 570814556 /nfs/dbraw/zinc/81/45/56/570814556.db2.gz OEZKJADBPBLXQV-OXJNMPFZSA-N 1 1 391.650 5.080 50 0 GKAAMO Cc1cccc(Cn2cccc2C[N@@H+](Cc2cc(F)ccc2F)[C@@H](C)C(C)C)c1 ZINC000004507103 570823476 /nfs/dbraw/zinc/82/34/76/570823476.db2.gz FRWGCJXUAGWCPG-FQEVSTJZSA-N 1 1 396.525 6.170 50 0 GKAAMO O=C(Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2)Nc1ccc(F)cc1F ZINC000033140107 570826698 /nfs/dbraw/zinc/82/66/98/570826698.db2.gz XJAJANUHRZFEQP-UHFFFAOYSA-N 1 1 379.410 5.125 50 0 GKAAMO O=C(Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2)Nc1ccc(F)cc1F ZINC000033140107 570826701 /nfs/dbraw/zinc/82/67/01/570826701.db2.gz XJAJANUHRZFEQP-UHFFFAOYSA-N 1 1 379.410 5.125 50 0 GKAAMO COc1ccccc1[C@@H](C)[N@@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000032825417 570839271 /nfs/dbraw/zinc/83/92/71/570839271.db2.gz PMYOQHOBGHLUKE-CYBMUJFWSA-N 1 1 381.303 5.024 50 0 GKAAMO C[C@@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1cccc(Cl)c1 ZINC000007487904 570850918 /nfs/dbraw/zinc/85/09/18/570850918.db2.gz LRIGQLPHNKPIQM-CYBMUJFWSA-N 1 1 395.915 5.156 50 0 GKAAMO CSc1ccccc1NC(=O)[C@H](C)Nc1ccc([NH+]2CCC(C)CC2)cc1 ZINC000012551454 570854837 /nfs/dbraw/zinc/85/48/37/570854837.db2.gz PBVUXVRFYUPJLL-KRWDZBQOSA-N 1 1 383.561 5.084 50 0 GKAAMO C[C@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000012559659 570861361 /nfs/dbraw/zinc/86/13/61/570861361.db2.gz UHZBBZDKQCWYHC-HNNXBMFYSA-N 1 1 391.437 5.135 50 0 GKAAMO CCc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000003397974 570864147 /nfs/dbraw/zinc/86/41/47/570864147.db2.gz BKRHWNPVKKZHLQ-LBPRGKRZSA-N 1 1 399.749 5.668 50 0 GKAAMO CCc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000003397974 570864152 /nfs/dbraw/zinc/86/41/52/570864152.db2.gz BKRHWNPVKKZHLQ-LBPRGKRZSA-N 1 1 399.749 5.668 50 0 GKAAMO FC(F)(F)c1ccccc1CC[C@@H]1CCC[N@@H+](Cc2cncn2C2CC2)C1 ZINC000072163101 570875896 /nfs/dbraw/zinc/87/58/96/570875896.db2.gz VOQTZJWUFPDJDQ-INIZCTEOSA-N 1 1 377.454 5.082 50 0 GKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(Cl)c2Cl)N3)C1 ZINC000004555239 570882049 /nfs/dbraw/zinc/88/20/49/570882049.db2.gz ANKYQDWEQSGLFR-INIZCTEOSA-N 1 1 396.343 5.250 50 0 GKAAMO CC[N@@H+](CC[C@]1(Cc2ccccc2)CCOC(C)(C)C1)Cc1ccc(OC)cc1 ZINC000004025687 570904021 /nfs/dbraw/zinc/90/40/21/570904021.db2.gz LFAXYRWVLVHNNF-AREMUKBSSA-N 1 1 395.587 5.725 50 0 biogenic GKAAMO Cc1ccc([C@@H](CNC(=O)c2oc3cc(C)cc(C)c3c2C)[NH+]2CCCCC2)o1 ZINC000015860419 570907303 /nfs/dbraw/zinc/90/73/03/570907303.db2.gz YRBZDJCRAVPZCO-LJQANCHMSA-N 1 1 394.515 5.216 50 0 GKAAMO CC[N@@H+]1CCc2c(sc(NC(=O)C(C)(C)C)c2-c2nc3ccccc3s2)C1 ZINC000023153860 570919791 /nfs/dbraw/zinc/91/97/91/570919791.db2.gz WAOGSHJKKPKHGZ-UHFFFAOYSA-N 1 1 399.585 5.387 50 0 GKAAMO CC[N@H+]1CCc2c(sc(NC(=O)C(C)(C)C)c2-c2nc3ccccc3s2)C1 ZINC000023153860 570919794 /nfs/dbraw/zinc/91/97/94/570919794.db2.gz WAOGSHJKKPKHGZ-UHFFFAOYSA-N 1 1 399.585 5.387 50 0 GKAAMO CC(C)(C)CC(C)(C)Nc1c(-c2ccc(Cl)cc2)[nH+]c2ccc(Cl)cn21 ZINC000004588117 570922875 /nfs/dbraw/zinc/92/28/75/570922875.db2.gz PGDRRXBNTXATIJ-UHFFFAOYSA-N 1 1 390.358 6.935 50 0 GKAAMO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccccc3Cl)no2)cc1 ZINC000016355676 570923521 /nfs/dbraw/zinc/92/35/21/570923521.db2.gz PNLDNTOBWZRHTH-LJQANCHMSA-N 1 1 383.879 5.126 50 0 GKAAMO CCOc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3ccccc3Cl)no2)cc1 ZINC000016355676 570923524 /nfs/dbraw/zinc/92/35/24/570923524.db2.gz PNLDNTOBWZRHTH-LJQANCHMSA-N 1 1 383.879 5.126 50 0 GKAAMO Cc1cc(Br)cc(C)c1OCCCC[N@H+](C)Cc1ccccc1 ZINC000002822390 570933262 /nfs/dbraw/zinc/93/32/62/570933262.db2.gz JMKCZDZUEUBVKZ-UHFFFAOYSA-N 1 1 376.338 5.357 50 0 GKAAMO Cc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccc(F)c(Cl)c2)cc1C ZINC000037522287 571023535 /nfs/dbraw/zinc/02/35/35/571023535.db2.gz NITISFYEMUTDLH-HSZRJFAPSA-N 1 1 382.910 5.893 50 0 GKAAMO Cc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccc(F)c(Cl)c2)cc1C ZINC000037522287 571023537 /nfs/dbraw/zinc/02/35/37/571023537.db2.gz NITISFYEMUTDLH-HSZRJFAPSA-N 1 1 382.910 5.893 50 0 GKAAMO COc1cccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(C)c(C)c2)c1OC ZINC000037522477 571024109 /nfs/dbraw/zinc/02/41/09/571024109.db2.gz CGYUCAPUJUMDLJ-XMMPIXPASA-N 1 1 390.527 5.117 50 0 GKAAMO CCc1ccccc1C[N@H+]1CCCn2cccc2[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000037523535 571025003 /nfs/dbraw/zinc/02/50/03/571025003.db2.gz LPKLCQDVHJRAJS-QHCPKHFHSA-N 1 1 398.472 6.065 50 0 GKAAMO Cc1ncsc1C[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(-c2cccc(C)c2)c1 ZINC000095524530 571089614 /nfs/dbraw/zinc/08/96/14/571089614.db2.gz LIMWSMMMIZILRC-NRFANRHFSA-N 1 1 391.540 5.030 50 0 GKAAMO Cc1ncsc1C[N@H+]1CCC[C@H]1C(=O)Nc1cccc(-c2cccc(C)c2)c1 ZINC000095524530 571089615 /nfs/dbraw/zinc/08/96/15/571089615.db2.gz LIMWSMMMIZILRC-NRFANRHFSA-N 1 1 391.540 5.030 50 0 GKAAMO Cc1ccccc1C[N@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000055035746 230936640 /nfs/dbraw/zinc/93/66/40/230936640.db2.gz PURMGPJGYBSMKV-UHFFFAOYSA-N 1 1 379.887 5.416 50 0 GKAAMO c1ccc(CN2CC[N@H+](Cc3ccccc3)C2c2cccc3ccccc32)cc1 ZINC000019322728 210239670 /nfs/dbraw/zinc/23/96/70/210239670.db2.gz APOYLPULEBBQRQ-UHFFFAOYSA-N 1 1 378.519 5.856 50 0 GKAAMO c1ccc(CN2CC[N@@H+](Cc3ccccc3)C2c2cccc3ccccc32)cc1 ZINC000019322728 210239671 /nfs/dbraw/zinc/23/96/71/210239671.db2.gz APOYLPULEBBQRQ-UHFFFAOYSA-N 1 1 378.519 5.856 50 0 GKAAMO CC(C)[C@@H]([NH2+]Cc1nc2ccccc2c(=O)[nH]1)c1ccc(C2CCCCC2)cc1 ZINC000016695283 210194313 /nfs/dbraw/zinc/19/43/13/210194313.db2.gz IVCJKLDTKHULQP-XMMPIXPASA-N 1 1 389.543 5.458 50 0 GKAAMO Cc1ccc([C@H](CNC(=O)c2sc3ccccc3c2Cl)[NH+]2CCCC2)o1 ZINC000015860456 210173786 /nfs/dbraw/zinc/17/37/86/210173786.db2.gz GHCRMLZAHCTPPQ-HNNXBMFYSA-N 1 1 388.920 5.023 50 0 GKAAMO Cc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3CCc3ccccn3)c(C)o2)s1 ZINC000014979111 210138239 /nfs/dbraw/zinc/13/82/39/210138239.db2.gz ZRBIVJHCSZAPKH-IBGZPJMESA-N 1 1 381.545 5.402 50 0 GKAAMO CCOc1ccccc1-c1nc(C[N@@H+]2CCC[C@H]2c2ccccc2OC)c(C)o1 ZINC000014957451 210133774 /nfs/dbraw/zinc/13/37/74/210133774.db2.gz MKNQASDFMSSVJD-NRFANRHFSA-N 1 1 392.499 5.394 50 0 GKAAMO CCOc1ccccc1-c1nc(C[N@H+]2CCC[C@H]2c2ccccc2OC)c(C)o1 ZINC000014957451 210133778 /nfs/dbraw/zinc/13/37/78/210133778.db2.gz MKNQASDFMSSVJD-NRFANRHFSA-N 1 1 392.499 5.394 50 0 GKAAMO CCOc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H]2c2ccccc2OC)c(C)o1 ZINC000014957447 210132759 /nfs/dbraw/zinc/13/27/59/210132759.db2.gz MKNQASDFMSSVJD-OAQYLSRUSA-N 1 1 392.499 5.394 50 0 GKAAMO CCOc1ccccc1-c1nc(C[N@H+]2CCC[C@@H]2c2ccccc2OC)c(C)o1 ZINC000014957447 210132766 /nfs/dbraw/zinc/13/27/66/210132766.db2.gz MKNQASDFMSSVJD-OAQYLSRUSA-N 1 1 392.499 5.394 50 0 GKAAMO COc1ccc([C@@H]2CCCCC[N@@H+]2[C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 ZINC000014123301 210103738 /nfs/dbraw/zinc/10/37/38/210103738.db2.gz UMZYZWLHLXYLRD-UWJYYQICSA-N 1 1 396.531 5.031 50 0 GKAAMO COc1ccc([C@@H]2CCCCC[N@H+]2[C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 ZINC000014123301 210103744 /nfs/dbraw/zinc/10/37/44/210103744.db2.gz UMZYZWLHLXYLRD-UWJYYQICSA-N 1 1 396.531 5.031 50 0 GKAAMO COc1ccccc1[C@@H](C)Nc1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000014094239 210103463 /nfs/dbraw/zinc/10/34/63/210103463.db2.gz OJBFTZIGYILRLA-OAHLLOKOSA-N 1 1 396.560 5.086 50 0 GKAAMO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+][C@@H](C)c1cccs1)c1ccccc1 ZINC000014140821 210106298 /nfs/dbraw/zinc/10/62/98/210106298.db2.gz VZUSLPCOKBKDGQ-KKSFZXQISA-N 1 1 380.513 5.096 50 0 GKAAMO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000012935064 210031417 /nfs/dbraw/zinc/03/14/17/210031417.db2.gz DFVVYUNSTIWYEF-LJQANCHMSA-N 1 1 383.879 5.126 50 0 GKAAMO CCOc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000012935064 210031426 /nfs/dbraw/zinc/03/14/26/210031426.db2.gz DFVVYUNSTIWYEF-LJQANCHMSA-N 1 1 383.879 5.126 50 0 GKAAMO COCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000002714212 209378306 /nfs/dbraw/zinc/37/83/06/209378306.db2.gz BZZRQEGSCZCOQF-UHFFFAOYSA-N 1 1 392.890 5.108 50 0 GKAAMO Fc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccco2)cc1 ZINC000001447667 209329490 /nfs/dbraw/zinc/32/94/90/209329490.db2.gz MZKFZJHSILMXAA-UHFFFAOYSA-N 1 1 384.414 5.432 50 0 GKAAMO Fc1ccc(CNc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1 ZINC000001455556 209329528 /nfs/dbraw/zinc/32/95/28/209329528.db2.gz SJZWYXIJZGHJPB-UHFFFAOYSA-N 1 1 394.453 5.839 50 0 GKAAMO Cc1cc(C)c(NC(=O)[C@H]2CCCC[N@H+]2C2C3CC4CC(C3)CC2C4)c(C)c1 ZINC000001227814 209316254 /nfs/dbraw/zinc/31/62/54/209316254.db2.gz DAZNHXYKNYGEKB-LZQJVVKJSA-N 1 1 380.576 5.230 50 0 GKAAMO C[C@@H]1[C@H](c2ccccc2)[N@@H+](C)[C@@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000245232008 209214876 /nfs/dbraw/zinc/21/48/76/209214876.db2.gz NTQGEZJOMVFLMK-XPNIBREUSA-N 1 1 375.487 5.468 50 0 GKAAMO C[C@@H]1C[C@H](C)C[N@@H+]([C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)C1 ZINC000034896587 212177966 /nfs/dbraw/zinc/17/79/66/212177966.db2.gz VHEQVJXZOYORGL-MDOVXXIYSA-N 1 1 391.342 5.651 50 0 GKAAMO CC(C)(C)CC(C)(C)Nc1c(-c2ccc(C(C)(C)C)cc2)[nH+]c2ccccn21 ZINC000004755577 204074701 /nfs/dbraw/zinc/07/47/01/204074701.db2.gz RFWXCMVBQOMJMQ-UHFFFAOYSA-N 1 1 377.576 6.926 50 0 GKAAMO Cc1cccc(Cn2cccc2C[N@H+](CCC(C)C)Cc2cc(F)cc(F)c2)c1 ZINC000004455296 204045644 /nfs/dbraw/zinc/04/56/44/204045644.db2.gz WAIHYGLOYNJECL-UHFFFAOYSA-N 1 1 396.525 6.171 50 0 GKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Cl)c(Cl)c2)N3)C1 ZINC000004555241 204053208 /nfs/dbraw/zinc/05/32/08/204053208.db2.gz AGQLNAVYWDFQMX-INIZCTEOSA-N 1 1 396.343 5.250 50 0 GKAAMO COc1ccc(-c2[nH+]c3ccc(C)cn3c2NC(C)(C)CC(C)(C)C)cc1OC ZINC000004587971 204056280 /nfs/dbraw/zinc/05/62/80/204056280.db2.gz RQLHPGPOXMOOIV-UHFFFAOYSA-N 1 1 395.547 5.954 50 0 GKAAMO Fc1ccc(-c2[nH+]c3ccc(C(F)(F)F)cn3c2NCc2ccccc2)cc1 ZINC000004625450 204058157 /nfs/dbraw/zinc/05/81/57/204058157.db2.gz SUMPPOSWTCMMPP-UHFFFAOYSA-N 1 1 385.364 5.771 50 0 GKAAMO Cc1cccc(Cn2cccc2C[N@@H+](Cc2cccc(Cl)c2)[C@H](C)C(C)C)c1 ZINC000004928457 204092582 /nfs/dbraw/zinc/09/25/82/204092582.db2.gz YTJWLVKQKAYQQO-OAQYLSRUSA-N 1 1 394.990 6.545 50 0 GKAAMO CCOc1cc(C[NH2+]Cc2ccccn2)cc(Cl)c1OCc1ccccc1 ZINC000004935193 204093042 /nfs/dbraw/zinc/09/30/42/204093042.db2.gz HMIPOAIIYUYUKO-UHFFFAOYSA-N 1 1 382.891 5.003 50 0 GKAAMO COc1ccc(/C=C/c2cc(Nc3ccc(C)cc3C)c3ccccc3[nH+]2)cc1 ZINC000005740187 204150134 /nfs/dbraw/zinc/15/01/34/204150134.db2.gz JNRQBWAPTLMHMV-FMIVXFBMSA-N 1 1 380.491 6.774 50 0 GKAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1sc2ccccc2c1Cl ZINC000005447312 204133681 /nfs/dbraw/zinc/13/36/81/204133681.db2.gz AVSLSDOZPVTVDT-AEFFLSMTSA-N 1 1 396.943 5.311 50 0 GKAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc(Cl)c4)o2)N3)C1 ZINC000006857631 204216738 /nfs/dbraw/zinc/21/67/38/204216738.db2.gz MLYMVZUFBLWOBR-SFHVURJKSA-N 1 1 399.903 5.078 50 0 GKAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc(Cl)c4)o2)N3)C1 ZINC000006857631 204216742 /nfs/dbraw/zinc/21/67/42/204216742.db2.gz MLYMVZUFBLWOBR-SFHVURJKSA-N 1 1 399.903 5.078 50 0 GKAAMO O=c1nc(C[NH+]2CCCCCCC2)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000006651483 204188027 /nfs/dbraw/zinc/18/80/27/204188027.db2.gz YRFDDBXHJSSVGS-UHFFFAOYSA-N 1 1 387.936 5.071 50 0 GKAAMO COc1ccc([C@H]2CCCCC[N@H+]2[C@@H](C)c2nnc(-c3ccccc3)o2)cc1 ZINC000008852773 204291278 /nfs/dbraw/zinc/29/12/78/204291278.db2.gz DQCSMRNKPJZMOD-LAUBAEHRSA-N 1 1 377.488 5.424 50 0 GKAAMO Cc1ccc(NC(=O)[C@@H](Nc2ccc([NH+]3CCCCC3)cc2)c2ccccc2)cc1 ZINC000008135324 204263513 /nfs/dbraw/zinc/26/35/13/204263513.db2.gz RBEQFGBJHWDXIP-VWLOTQADSA-N 1 1 399.538 5.777 50 0 GKAAMO COc1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@H]3c3cccs3)cc2)cc1 ZINC000008429840 204276769 /nfs/dbraw/zinc/27/67/69/204276769.db2.gz GMYHIGGIKOJNHU-NRFANRHFSA-N 1 1 392.524 5.346 50 0 GKAAMO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000010140229 204331886 /nfs/dbraw/zinc/33/18/86/204331886.db2.gz HWVQMQWIPLKXMX-AWEZNQCLSA-N 1 1 399.897 5.167 50 0 GKAAMO Cc1oc(-c2ccccc2Cl)nc1C[N@@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC000011816450 204354519 /nfs/dbraw/zinc/35/45/19/204354519.db2.gz UNEKXDXLJXPBJW-LJQANCHMSA-N 1 1 396.918 5.485 50 0 GKAAMO Cc1oc(-c2ccccc2Cl)nc1C[N@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC000011816450 204354523 /nfs/dbraw/zinc/35/45/23/204354523.db2.gz UNEKXDXLJXPBJW-LJQANCHMSA-N 1 1 396.918 5.485 50 0 GKAAMO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCC[C@@H](COc2ccccc2F)C1 ZINC000019791347 204683963 /nfs/dbraw/zinc/68/39/63/204683963.db2.gz CYERHLGACCRSJA-MRXNPFEDSA-N 1 1 386.492 5.142 50 0 GKAAMO Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@@H](COc2ccccc2F)C1 ZINC000019791347 204683966 /nfs/dbraw/zinc/68/39/66/204683966.db2.gz CYERHLGACCRSJA-MRXNPFEDSA-N 1 1 386.492 5.142 50 0 GKAAMO Cc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2NCc1cccnc1 ZINC000021798015 204765407 /nfs/dbraw/zinc/76/54/07/204765407.db2.gz HKFWNYWCNAGYHD-UHFFFAOYSA-N 1 1 391.478 5.403 50 0 GKAAMO Cc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000036347332 205012246 /nfs/dbraw/zinc/01/22/46/205012246.db2.gz JZPGWRZLONRHNB-QFIPXVFZSA-N 1 1 384.445 5.811 50 0 GKAAMO CCOc1cc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(Cl)cc2)ccc1O ZINC000036347464 205013453 /nfs/dbraw/zinc/01/34/53/205013453.db2.gz PTXSDFSUPDPNEE-QHCPKHFHSA-N 1 1 396.918 5.241 50 0 GKAAMO CCOc1cc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(Cl)cc2)ccc1O ZINC000036347464 205013455 /nfs/dbraw/zinc/01/34/55/205013455.db2.gz PTXSDFSUPDPNEE-QHCPKHFHSA-N 1 1 396.918 5.241 50 0 GKAAMO COc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(C)c(C)c2)cc1OC ZINC000037523545 205027596 /nfs/dbraw/zinc/02/75/96/205027596.db2.gz YJUBFOZTTBSGOL-RUZDIDTESA-N 1 1 390.527 5.117 50 0 GKAAMO COc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(C)c(C)c2)cc1OC ZINC000037523546 205027770 /nfs/dbraw/zinc/02/77/70/205027770.db2.gz YJUBFOZTTBSGOL-VWLOTQADSA-N 1 1 390.527 5.117 50 0 GKAAMO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2coc(-c3ccc(OC)cc3)n2)cc1 ZINC000048276923 205116338 /nfs/dbraw/zinc/11/63/38/205116338.db2.gz OBOGAQJMFCJHPY-QFIPXVFZSA-N 1 1 378.472 5.086 50 0 GKAAMO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2coc(-c3ccc(OC)cc3)n2)cc1 ZINC000048276923 205116342 /nfs/dbraw/zinc/11/63/42/205116342.db2.gz OBOGAQJMFCJHPY-QFIPXVFZSA-N 1 1 378.472 5.086 50 0 GKAAMO Cc1ccc(CN(Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)o1 ZINC000055227354 205146061 /nfs/dbraw/zinc/14/60/61/205146061.db2.gz RFFAIKRKDUOESG-JOCHJYFZSA-N 1 1 381.564 5.030 50 0 GKAAMO O=C(NC1CCCC1)[C@@H](c1ccccc1)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000049629694 205129975 /nfs/dbraw/zinc/12/99/75/205129975.db2.gz QXXQTSXINLVZCQ-AREMUKBSSA-N 1 1 398.550 5.489 50 0 GKAAMO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000058043573 205162638 /nfs/dbraw/zinc/16/26/38/205162638.db2.gz NZISXNWGGQSBRC-ZDUSSCGKSA-N 1 1 392.286 5.115 50 0 GKAAMO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000058043573 205162640 /nfs/dbraw/zinc/16/26/40/205162640.db2.gz NZISXNWGGQSBRC-ZDUSSCGKSA-N 1 1 392.286 5.115 50 0 GKAAMO C[C@@H](C(=O)c1c[nH]c2ccccc12)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000058160406 205165976 /nfs/dbraw/zinc/16/59/76/205165976.db2.gz ZNTWZROIHHAVGF-HNNXBMFYSA-N 1 1 389.524 5.228 50 0 GKAAMO FC(F)Oc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1csc(-c2ccco2)n1 ZINC000058477430 205177671 /nfs/dbraw/zinc/17/76/71/205177671.db2.gz HGWFBXYERIHSMZ-INIZCTEOSA-N 1 1 376.428 5.172 50 0 GKAAMO Cc1cc(Nc2ccc(NC(=O)CC(C)C)cc2)nc(NC2CCCCC2)[nH+]1 ZINC000064801186 205195659 /nfs/dbraw/zinc/19/56/59/205195659.db2.gz SVSJSEIFKGVLEC-UHFFFAOYSA-N 1 1 381.524 5.258 50 0 GKAAMO CCNc1nc(Nc2ccc(NC(=O)Nc3cc(C)ccc3C)cc2)cc(C)[nH+]1 ZINC000064801404 205195773 /nfs/dbraw/zinc/19/57/73/205195773.db2.gz LNDDDVDXAQNRGX-UHFFFAOYSA-N 1 1 390.491 5.221 50 0 GKAAMO Cc1sc2[nH]c([C@H](C)[NH2+][C@H](C)c3ccccc3C(F)(F)F)nc(=O)c2c1C ZINC000066391206 205241582 /nfs/dbraw/zinc/24/15/82/205241582.db2.gz IFLAFYWFAOJEJX-MNOVXSKESA-N 1 1 395.450 5.032 50 0 GKAAMO O=C(c1c[nH+]c2ccccc2c1NCc1ccc(F)cc1Cl)N1CCCCC1 ZINC000072328452 205325809 /nfs/dbraw/zinc/32/58/09/205325809.db2.gz AFYIQYYPIVLTDS-UHFFFAOYSA-N 1 1 397.881 5.266 50 0 GKAAMO Cc1cccc2cc(C[N@H+]3CCC[C@@H]3c3ccccn3)c(-c3cccs3)nc12 ZINC000072430572 205351034 /nfs/dbraw/zinc/35/10/34/205351034.db2.gz IRVXWPYQTNHSGF-OAQYLSRUSA-N 1 1 385.536 6.004 50 0 GKAAMO COc1ccc2cc(C[N@H+](C)[C@H](C)c3ccon3)c(-c3cccc(C)c3)nc2c1 ZINC000072408510 205346640 /nfs/dbraw/zinc/34/66/40/205346640.db2.gz MQUKVCCRKVXCOE-QGZVFWFLSA-N 1 1 387.483 5.400 50 0 GKAAMO COc1ccc2cc(C[N@@H+](C)[C@H](C)c3ccon3)c(-c3cccc(C)c3)nc2c1 ZINC000072408510 205346642 /nfs/dbraw/zinc/34/66/42/205346642.db2.gz MQUKVCCRKVXCOE-QGZVFWFLSA-N 1 1 387.483 5.400 50 0 GKAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2sccc2-c2ccc(F)cc2)C1 ZINC000078714196 205375119 /nfs/dbraw/zinc/37/51/19/205375119.db2.gz CJUOCLDYUCOARO-UZLBHIALSA-N 1 1 394.515 5.120 50 0 GKAAMO Cc1[nH+]ccn1Cc1cccc(CNC(=O)CCCc2ccc3ccccc3c2)c1 ZINC000095462904 205461928 /nfs/dbraw/zinc/46/19/28/205461928.db2.gz OMCNXAVUAKFAOJ-UHFFFAOYSA-N 1 1 397.522 5.032 50 0 GKAAMO Cc1ncc(C[N@@H+]2CCC[C@H]2c2ccc(C(=O)Nc3ccccc3)s2)s1 ZINC000023398530 206252234 /nfs/dbraw/zinc/25/22/34/206252234.db2.gz FHIBWWRPPQJWJA-KRWDZBQOSA-N 1 1 383.542 5.102 50 0 GKAAMO Cc1ncc(C[N@H+]2CCC[C@H]2c2ccc(C(=O)Nc3ccccc3)s2)s1 ZINC000023398530 206252239 /nfs/dbraw/zinc/25/22/39/206252239.db2.gz FHIBWWRPPQJWJA-KRWDZBQOSA-N 1 1 383.542 5.102 50 0 GKAAMO C[N@H+]1CCCC[C@@H]1Cn1cc(C(=O)c2cccc3ccccc32)c2ccccc21 ZINC000001485260 206383826 /nfs/dbraw/zinc/38/38/26/206383826.db2.gz URKVBEKZCMUTQC-HXUWFJFHSA-N 1 1 382.507 5.510 50 0 in-vitro GKAAMO CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc([NH+](CC)CC)cc1 ZINC000001777788 206391810 /nfs/dbraw/zinc/39/18/10/206391810.db2.gz RIWXBJCWHVMATR-UHFFFAOYSA-N 1 1 377.488 5.310 50 0 GKAAMO Cn1cc(C[N@H+]2CC[C@@H]2c2ccccc2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000072462856 211121909 /nfs/dbraw/zinc/12/19/09/211121909.db2.gz AAGHKGHKLSISOT-RUZDIDTESA-N 1 1 395.506 5.826 50 0 GKAAMO Cc1cccc2cc(C[N@H+](C)Cc3ccncn3)c(-c3cccc(Cl)c3)nc12 ZINC000072469373 211121923 /nfs/dbraw/zinc/12/19/23/211121923.db2.gz YRRZJSBIIYFFAN-UHFFFAOYSA-N 1 1 388.902 5.286 50 0 GKAAMO Cc1cccc2cc(C[N@@H+](C)Cc3ccncn3)c(-c3cccc(Cl)c3)nc12 ZINC000072469373 211121927 /nfs/dbraw/zinc/12/19/27/211121927.db2.gz YRRZJSBIIYFFAN-UHFFFAOYSA-N 1 1 388.902 5.286 50 0 GKAAMO COc1cccc(C[N@@H+]2CCOc3c(cc(-c4ccc(C)cc4)cc3OC)C2)c1 ZINC000014978513 207037059 /nfs/dbraw/zinc/03/70/59/207037059.db2.gz NOTCHZCISLCBQE-UHFFFAOYSA-N 1 1 389.495 5.074 50 0 GKAAMO COc1cccc(C[N@H+]2CCOc3c(cc(-c4ccc(C)cc4)cc3OC)C2)c1 ZINC000014978513 207037062 /nfs/dbraw/zinc/03/70/62/207037062.db2.gz NOTCHZCISLCBQE-UHFFFAOYSA-N 1 1 389.495 5.074 50 0 GKAAMO Cc1ccc(C)c(C[N@H+]2CCc3c4c(sc3[C@@H]2c2ccccc2)CCCC4)c1 ZINC000015864823 207064612 /nfs/dbraw/zinc/06/46/12/207064612.db2.gz IMSBJUPMRSJJQN-VWLOTQADSA-N 1 1 387.592 6.391 50 0 GKAAMO Cc1oc(-c2cccc3ccccc32)nc1C[N@@H+]1CCCC[C@H]1c1ccccn1 ZINC000019773313 207160197 /nfs/dbraw/zinc/16/01/97/207160197.db2.gz NFXXUMPPIDATDW-DEOSSOPVSA-N 1 1 383.495 5.925 50 0 GKAAMO Cc1oc(-c2cccc3ccccc32)nc1C[N@H+]1CCCC[C@H]1c1ccccn1 ZINC000019773313 207160202 /nfs/dbraw/zinc/16/02/02/207160202.db2.gz NFXXUMPPIDATDW-DEOSSOPVSA-N 1 1 383.495 5.925 50 0 GKAAMO Clc1cccc([C@H]([NH2+]CCc2ccccc2)c2nnc(-c3ccccc3)o2)c1 ZINC000020852580 207216676 /nfs/dbraw/zinc/21/66/76/207216676.db2.gz QCHPWUHWZNMORJ-NRFANRHFSA-N 1 1 389.886 5.312 50 0 GKAAMO Cc1ccc(CC[NH2+][C@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cc1 ZINC000020988574 207223635 /nfs/dbraw/zinc/22/36/35/207223635.db2.gz ORXCMOIPEJSORJ-QFIPXVFZSA-N 1 1 387.458 5.106 50 0 GKAAMO COc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2NC1CCCCC1 ZINC000021798210 207237722 /nfs/dbraw/zinc/23/77/22/207237722.db2.gz KDWMLARNHBEFJH-UHFFFAOYSA-N 1 1 398.510 5.841 50 0 GKAAMO CCCCCCC(=O)Nc1ccc2[nH]cc(CC[N@@H+](CCC)CC3CC3)c2c1 ZINC000022337890 207251863 /nfs/dbraw/zinc/25/18/63/207251863.db2.gz RYYJZHCHJHRTKN-UHFFFAOYSA-N 1 1 383.580 5.741 50 0 GKAAMO CCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@@H+](C(C)C)C2 ZINC000023153859 207271105 /nfs/dbraw/zinc/27/11/05/207271105.db2.gz UXDLSPYFGMTDLD-UHFFFAOYSA-N 1 1 385.558 5.140 50 0 GKAAMO c1ccc(C(c2ccccc2)[NH+]2CCN(Cc3cccc4ccccc43)CC2)cc1 ZINC000023253784 207272113 /nfs/dbraw/zinc/27/21/13/207272113.db2.gz VSTCSMUXEJYQGW-UHFFFAOYSA-N 1 1 392.546 5.747 50 0 GKAAMO Clc1cccc(-c2nc(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)co2)c1 ZINC000028962530 207353192 /nfs/dbraw/zinc/35/31/92/207353192.db2.gz TVPPNVKIVJBSMN-IBGZPJMESA-N 1 1 396.874 5.103 50 0 GKAAMO Clc1cccc(-c2nc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)co2)c1 ZINC000028962530 207353198 /nfs/dbraw/zinc/35/31/98/207353198.db2.gz TVPPNVKIVJBSMN-IBGZPJMESA-N 1 1 396.874 5.103 50 0 GKAAMO O=C1c2cccc3cccc(c23)N1C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000032506894 207396175 /nfs/dbraw/zinc/39/61/75/207396175.db2.gz LELYKAZIDACVRS-KRWDZBQOSA-N 1 1 399.519 5.247 50 0 GKAAMO O=C1c2cccc3cccc(c23)N1C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000032506894 207396181 /nfs/dbraw/zinc/39/61/81/207396181.db2.gz LELYKAZIDACVRS-KRWDZBQOSA-N 1 1 399.519 5.247 50 0 GKAAMO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@H+](C)[C@H](C)c2ccon2)cc1 ZINC000072435294 208024081 /nfs/dbraw/zinc/02/40/81/208024081.db2.gz NBBAFZVUMZQFJN-QGZVFWFLSA-N 1 1 387.483 5.400 50 0 GKAAMO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@@H+](C)[C@H](C)c2ccon2)cc1 ZINC000072435294 208024083 /nfs/dbraw/zinc/02/40/83/208024083.db2.gz NBBAFZVUMZQFJN-QGZVFWFLSA-N 1 1 387.483 5.400 50 0 GKAAMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000021146237 210378675 /nfs/dbraw/zinc/37/86/75/210378675.db2.gz QYONLKBSSKOKJS-GJZGRUSLSA-N 1 1 392.330 5.198 50 0 GKAAMO Clc1ccccc1-c1ccc(C[NH2+]C2CCN(Cc3ccccc3)CC2)o1 ZINC000020477450 210339520 /nfs/dbraw/zinc/33/95/20/210339520.db2.gz JWUYGBINTFBOSK-UHFFFAOYSA-N 1 1 380.919 5.354 50 0 GKAAMO CC[C@H]1CCCC[N@H+]1CCCNc1ncnc2onc(-c3ccc(Cl)cc3)c21 ZINC000020329736 210329484 /nfs/dbraw/zinc/32/94/84/210329484.db2.gz MMXBNQCPKCGOGK-KRWDZBQOSA-N 1 1 399.926 5.005 50 0 GKAAMO Fc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)c(F)c1 ZINC000020166518 210323122 /nfs/dbraw/zinc/32/31/22/210323122.db2.gz FXHQJZNHNXASDA-CQSZACIVSA-N 1 1 389.396 5.013 50 0 GKAAMO O=C1CC[C@@H]2C[N@@H+](Cc3ccc4ccccc4c3)CC[C@@H]2N1CC1CCCCC1 ZINC000011870077 221133476 /nfs/dbraw/zinc/13/34/76/221133476.db2.gz UJQAVEYAHPUVQE-RPBOFIJWSA-N 1 1 390.571 5.233 50 0 GKAAMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@@H](C(=O)c2ccc(Cl)cc2C)C1 ZINC000011934263 221138231 /nfs/dbraw/zinc/13/82/31/221138231.db2.gz NBGOVIVPRQQPBO-GOSISDBHSA-N 1 1 387.955 5.138 50 0 GKAAMO Cc1oc(-c2cc(F)cc(F)c2)nc1C[N@@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC000012584604 221209688 /nfs/dbraw/zinc/20/96/88/221209688.db2.gz PXBAILQTWZAPIG-OAQYLSRUSA-N 1 1 398.453 5.109 50 0 GKAAMO Cc1oc(-c2cc(F)cc(F)c2)nc1C[N@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC000012584604 221209691 /nfs/dbraw/zinc/20/96/91/221209691.db2.gz PXBAILQTWZAPIG-OAQYLSRUSA-N 1 1 398.453 5.109 50 0 GKAAMO C[N@H+](CC(=O)Nc1cccc(Cl)c1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000012921828 221246677 /nfs/dbraw/zinc/24/66/77/221246677.db2.gz UGXVESFZHNGEMG-QFIPXVFZSA-N 1 1 382.866 5.139 50 0 GKAAMO C[N@@H+](CC(=O)Nc1cccc(Cl)c1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000012921828 221246681 /nfs/dbraw/zinc/24/66/81/221246681.db2.gz UGXVESFZHNGEMG-QFIPXVFZSA-N 1 1 382.866 5.139 50 0 GKAAMO Cc1c(Cl)c(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)nc2ccccc12 ZINC000013984955 221294196 /nfs/dbraw/zinc/29/41/96/221294196.db2.gz BJFDZEMFTFNHBN-HXUWFJFHSA-N 1 1 394.902 5.305 50 0 GKAAMO Cc1c(Cl)c(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)nc2ccccc12 ZINC000013984955 221294199 /nfs/dbraw/zinc/29/41/99/221294199.db2.gz BJFDZEMFTFNHBN-HXUWFJFHSA-N 1 1 394.902 5.305 50 0 GKAAMO CC(=O)c1cccc(NC(=O)[C@H]([NH2+][C@H](C)c2ccc(F)cc2)c2ccccc2)c1 ZINC000014142220 221301314 /nfs/dbraw/zinc/30/13/14/221301314.db2.gz AYSBFRKBMPFVKP-WAIKUNEKSA-N 1 1 390.458 5.059 50 0 GKAAMO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1nc(-c2cc(F)cc(F)c2)oc1C ZINC000014973527 221322382 /nfs/dbraw/zinc/32/23/82/221322382.db2.gz BOVBNUFWALFQKT-FQEVSTJZSA-N 1 1 384.426 5.274 50 0 GKAAMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1nc(-c2cc(F)cc(F)c2)oc1C ZINC000014973527 221322384 /nfs/dbraw/zinc/32/23/84/221322384.db2.gz BOVBNUFWALFQKT-FQEVSTJZSA-N 1 1 384.426 5.274 50 0 GKAAMO O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCC[N@H+](C2CCSCC2)C1 ZINC000014949534 221318660 /nfs/dbraw/zinc/31/86/60/221318660.db2.gz ODTJYSNXBLICBV-LJQANCHMSA-N 1 1 398.547 5.039 50 0 GKAAMO Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000014959168 221320386 /nfs/dbraw/zinc/32/03/86/221320386.db2.gz OEPBULLRAAFDIX-NRFANRHFSA-N 1 1 382.523 5.198 50 0 GKAAMO Cc1ccc([C@@H](CNC(=O)c2sc3cc(Cl)ccc3c2Cl)[NH+](C)C)o1 ZINC000015860352 221348798 /nfs/dbraw/zinc/34/87/98/221348798.db2.gz VSDSCZMICRMFEN-CYBMUJFWSA-N 1 1 397.327 5.142 50 0 GKAAMO CCOc1ccc(C[N@H+](Cc2cc(=O)c3c(C)ccc(C)c3[nH]2)CC(C)C)cc1 ZINC000015862359 221350089 /nfs/dbraw/zinc/35/00/89/221350089.db2.gz SYGQUEDZCMURPJ-UHFFFAOYSA-N 1 1 392.543 5.202 50 0 GKAAMO Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H](C)c3ccc(F)cc3F)c2)cc1 ZINC000017315992 221383117 /nfs/dbraw/zinc/38/31/17/221383117.db2.gz WMRNUMDFZNQVQZ-INIZCTEOSA-N 1 1 380.438 5.376 50 0 GKAAMO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](c2cccs2)c2ccc(F)cc2)cc1F ZINC000057547863 222035561 /nfs/dbraw/zinc/03/55/61/222035561.db2.gz NGUUQXCGIDQJGO-JLTOFOAXSA-N 1 1 386.467 5.041 50 0 GKAAMO O=C(NC1CCCC1)[C@H](c1ccccc1)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000049629693 222001186 /nfs/dbraw/zinc/00/11/86/222001186.db2.gz QXXQTSXINLVZCQ-SANMLTNESA-N 1 1 398.550 5.489 50 0 GKAAMO CC[N@@H+](Cc1ccccc1)C1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000054991932 222014815 /nfs/dbraw/zinc/01/48/15/222014815.db2.gz WFUFWYSHMPCTJL-UHFFFAOYSA-N 1 1 376.466 5.192 50 0 GKAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000055131930 222016383 /nfs/dbraw/zinc/01/63/83/222016383.db2.gz BAIAFFXZSZEFCE-UHFFFAOYSA-N 1 1 381.907 5.016 50 0 GKAAMO CC[N@@H+](Cc1ccc(C(=O)N[C@H](c2ccco2)c2ccccc2)cc1)C(C)C ZINC000058244779 222047077 /nfs/dbraw/zinc/04/70/77/222047077.db2.gz DIWSNMHXHYKRJM-QHCPKHFHSA-N 1 1 376.500 5.029 50 0 GKAAMO C[C@H](C[N@H+]1CCOc2c(O)cc(-c3ccc(Cl)cn3)cc2C1)c1ccccc1 ZINC000067540750 222147985 /nfs/dbraw/zinc/14/79/85/222147985.db2.gz GCFGPHZMOXBKTO-MRXNPFEDSA-N 1 1 394.902 5.106 50 0 GKAAMO CCNc1nc(Nc2ccc(NC(=O)Nc3cccc(CC)c3)cc2)cc(C)[nH+]1 ZINC000072119349 222206662 /nfs/dbraw/zinc/20/66/62/222206662.db2.gz UZJDICGGFRVDET-UHFFFAOYSA-N 1 1 390.491 5.167 50 0 GKAAMO O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)[C@@H]1CCC[N@@H+]1Cc1ccoc1 ZINC000095512378 222342519 /nfs/dbraw/zinc/34/25/19/222342519.db2.gz NUWWXQUUOSXHMW-QHCPKHFHSA-N 1 1 385.467 5.031 50 0 GKAAMO O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)[C@@H]1CCC[N@H+]1Cc1ccoc1 ZINC000095512378 222342522 /nfs/dbraw/zinc/34/25/22/222342522.db2.gz NUWWXQUUOSXHMW-QHCPKHFHSA-N 1 1 385.467 5.031 50 0 GKAAMO C[C@@H]([NH2+]Cc1sc2ccccc2c1Cl)c1nc(-c2cccnc2)cs1 ZINC000095941309 222362524 /nfs/dbraw/zinc/36/25/24/222362524.db2.gz NVHSFGUQEKLGKW-GFCCVEGCSA-N 1 1 385.945 5.924 50 0 GKAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)N(Cc2ccsc2)C2CCCC2)cc1 ZINC000096164253 222395521 /nfs/dbraw/zinc/39/55/21/222395521.db2.gz VPBOFUFKROCATC-UHFFFAOYSA-N 1 1 380.517 5.219 50 0 GKAAMO CCn1c2ccccc2c2cc(CN3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000019805707 570220612 /nfs/dbraw/zinc/22/06/12/570220612.db2.gz ZIKJLFILVMIKRK-UHFFFAOYSA-N 1 1 383.539 5.132 50 0 GKAAMO Cc1cccc(C(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000019842691 570225295 /nfs/dbraw/zinc/22/52/95/570225295.db2.gz HYKCUXCMCSIOKX-UHFFFAOYSA-N 1 1 386.564 5.078 50 0 GKAAMO CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)C[NH+]1CCCCC1 ZINC000000849820 570226577 /nfs/dbraw/zinc/22/65/77/570226577.db2.gz QZINAKTUAROPKI-UHFFFAOYSA-N 1 1 390.599 5.274 50 0 GKAAMO c1csc(C[N@H+]2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)c1 ZINC000012185733 570229564 /nfs/dbraw/zinc/22/95/64/570229564.db2.gz PZGGVQZFKNEXNR-SFHVURJKSA-N 1 1 382.485 5.249 50 0 GKAAMO Cc1c(Cl)c(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)nc2ccccc12 ZINC000013984958 570232063 /nfs/dbraw/zinc/23/20/63/570232063.db2.gz BJFDZEMFTFNHBN-FQEVSTJZSA-N 1 1 394.902 5.305 50 0 GKAAMO Cc1c(Cl)c(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)nc2ccccc12 ZINC000013984958 570232066 /nfs/dbraw/zinc/23/20/66/570232066.db2.gz BJFDZEMFTFNHBN-FQEVSTJZSA-N 1 1 394.902 5.305 50 0 GKAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+]1CCN(c2ccccc2)C[C@H]1C ZINC000012430440 570232772 /nfs/dbraw/zinc/23/27/72/570232772.db2.gz GHZNPXCTRGYORS-MRXNPFEDSA-N 1 1 381.907 5.014 50 0 GKAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+]1CCN(c2ccccc2)C[C@H]1C ZINC000012430440 570232775 /nfs/dbraw/zinc/23/27/75/570232775.db2.gz GHZNPXCTRGYORS-MRXNPFEDSA-N 1 1 381.907 5.014 50 0 GKAAMO CCc1cccc(CC)c1NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000020030410 570236343 /nfs/dbraw/zinc/23/63/43/570236343.db2.gz OANJNOTYEXPFGF-UHFFFAOYSA-N 1 1 398.550 5.622 50 0 GKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCCC2)cc1Cl ZINC000001447684 570263452 /nfs/dbraw/zinc/26/34/52/570263452.db2.gz PZNZPDVDGJTWCF-UHFFFAOYSA-N 1 1 388.902 5.650 50 0 GKAAMO C[C@H](C[N@@H+](C)Cc1ccccc1)OC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 ZINC000002180638 570277527 /nfs/dbraw/zinc/27/75/27/570277527.db2.gz ZSYNVNGIZNPTJT-LJQANCHMSA-N 1 1 395.587 5.959 50 0 GKAAMO C[C@@H](C(=O)c1c[nH]c2ccccc12)[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000035277598 570280548 /nfs/dbraw/zinc/28/05/48/570280548.db2.gz SKHIUGOCIGKCSJ-HOTGVXAUSA-N 1 1 389.524 5.228 50 0 GKAAMO C[C@H](C(=O)c1c[nH]c2ccccc12)[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000035277603 570280559 /nfs/dbraw/zinc/28/05/59/570280559.db2.gz SKHIUGOCIGKCSJ-CVEARBPZSA-N 1 1 389.524 5.228 50 0 GKAAMO COc1cccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)c1 ZINC000020907480 570284170 /nfs/dbraw/zinc/28/41/70/570284170.db2.gz TWIHFUGPPGEEDD-SFHVURJKSA-N 1 1 381.907 5.118 50 0 GKAAMO COc1ccc([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2nc(-c3ccco3)oc2C)cc1 ZINC000102012019 570286684 /nfs/dbraw/zinc/28/66/84/570286684.db2.gz CYDGAVSVEPHMNN-REPLKXPHSA-N 1 1 378.472 5.162 50 0 GKAAMO Cc1ccc(C(=O)N2C[C@H](C[N@H+](C)C3CCCCC3)[C@H](c3ccccc3)C2)cc1 ZINC000034697638 570298726 /nfs/dbraw/zinc/29/87/26/570298726.db2.gz XWJLQGMZKSNDGA-ZCYQVOJMSA-N 1 1 390.571 5.115 50 0 GKAAMO COc1ccc(C[N@@H+](CCc2ccccc2)Cc2ccccc2)c2ccccc12 ZINC000002893775 570317466 /nfs/dbraw/zinc/31/74/66/570317466.db2.gz CWTBQKFYOZWWMK-UHFFFAOYSA-N 1 1 381.519 6.093 50 0 GKAAMO OC(c1ccccc1)(c1ccccc1)[C@@H]1CC[N@H+]2C[C@H](c3ccccc3)C[C@H]2C1 ZINC000004851658 570347259 /nfs/dbraw/zinc/34/72/59/570347259.db2.gz XSLGPTMCZRXAJH-RCXJIHSJSA-N 1 1 383.535 5.191 50 0 GKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)cc2Cl)N3)C1 ZINC000006256301 570350815 /nfs/dbraw/zinc/35/08/15/570350815.db2.gz OMGMONUGJNNFKV-MRXNPFEDSA-N 1 1 396.343 5.250 50 0 GKAAMO Cc1cccc(Cn2cccc2C[N@@H+](Cc2ccc(F)c(F)c2)[C@H](C)C(C)C)c1 ZINC000004910164 570362812 /nfs/dbraw/zinc/36/28/12/570362812.db2.gz WMOLBJCSTOHAFT-HXUWFJFHSA-N 1 1 396.525 6.170 50 0 GKAAMO Fc1ccc(Cn2cccc2C[N@@H+](Cc2ccccc2F)C2CCCCC2)cc1 ZINC000004906757 570362892 /nfs/dbraw/zinc/36/28/92/570362892.db2.gz DBKJOZCNPNUORL-UHFFFAOYSA-N 1 1 394.509 6.150 50 0 GKAAMO O=C(Nc1ccc(Cl)cc1)N1CCC[N@@H+](Cc2cccc3ccccc32)CC1 ZINC000004299580 570366187 /nfs/dbraw/zinc/36/61/87/570366187.db2.gz PGALTIGEKOLZJF-UHFFFAOYSA-N 1 1 393.918 5.233 50 0 GKAAMO FC(F)(F)c1cccc(Nc2c3cc(Cl)ccc3[nH+]c3c2CCCC3)c1 ZINC000004923924 570370562 /nfs/dbraw/zinc/37/05/62/570370562.db2.gz AELNHBOUBMVYSC-UHFFFAOYSA-N 1 1 376.809 6.529 50 0 GKAAMO C[C@@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1ccc(Cl)cc1 ZINC000024209111 570380761 /nfs/dbraw/zinc/38/07/61/570380761.db2.gz YKWLFFZQWPQUIG-CYBMUJFWSA-N 1 1 395.915 5.156 50 0 GKAAMO C[N@@H+](CCOC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1)Cc1ccccc1 ZINC000004603972 570386946 /nfs/dbraw/zinc/38/69/46/570386946.db2.gz RSCKSVIKLDQBOE-UHFFFAOYSA-N 1 1 381.560 5.570 50 0 GKAAMO Cc1cc(C)c(NC(=O)[C@H]2CCCC[N@H+]2C23CC4CC(CC(C4)C2)C3)c(C)c1 ZINC000004990161 570422062 /nfs/dbraw/zinc/42/20/62/570422062.db2.gz MQBHDIRQAAYOCS-APNVUFTPSA-N 1 1 380.576 5.374 50 0 GKAAMO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@H+]([C@H]1CC[C@@H](C)C1)CC2 ZINC000005033047 570425259 /nfs/dbraw/zinc/42/52/59/570425259.db2.gz ISLQETMKIRTGFE-VVWXKSFDSA-N 1 1 385.935 5.493 50 0 GKAAMO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@H]2c2cccn2C)c1 ZINC000248103320 570440131 /nfs/dbraw/zinc/44/01/31/570440131.db2.gz FHVSZSPDDLNBLU-ZEQRLZLVSA-N 1 1 387.527 5.159 50 0 GKAAMO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@H]2c2cccn2C)c1 ZINC000248103320 570440133 /nfs/dbraw/zinc/44/01/33/570440133.db2.gz FHVSZSPDDLNBLU-ZEQRLZLVSA-N 1 1 387.527 5.159 50 0 GKAAMO C[NH+](C)[C@H](CNC(=O)c1sc2ccccc2c1Cl)c1ccccc1Cl ZINC000028287549 570454607 /nfs/dbraw/zinc/45/46/07/570454607.db2.gz PGRCPEBNOHLXOQ-OAHLLOKOSA-N 1 1 393.339 5.241 50 0 GKAAMO Cc1ccc(Cn2cccc2C[N@@H+](Cc2ccccc2C)C2CCCCC2)cc1 ZINC000035841072 570463268 /nfs/dbraw/zinc/46/32/68/570463268.db2.gz GAINSHFXEMEFBC-UHFFFAOYSA-N 1 1 386.583 6.488 50 0 GKAAMO Cc1ccc(C[N@H+](Cc2cccn2Cc2ccccc2F)[C@@H](C)C(C)C)cc1 ZINC000035841049 570463479 /nfs/dbraw/zinc/46/34/79/570463479.db2.gz CJQPDOVXRRIHAT-NRFANRHFSA-N 1 1 378.535 6.031 50 0 GKAAMO Cc1ccccc1Cn1cccc1C[N@@H+](Cc1cccc(F)c1)[C@H](C)C(C)C ZINC000035841112 570463835 /nfs/dbraw/zinc/46/38/35/570463835.db2.gz OGGLOOZTDZOEEG-OAQYLSRUSA-N 1 1 378.535 6.031 50 0 GKAAMO CC(C)CC[N@@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1ccccc1Cl ZINC000035843763 570464229 /nfs/dbraw/zinc/46/42/29/570464229.db2.gz DDIPKABAKIZGKQ-UHFFFAOYSA-N 1 1 398.953 6.377 50 0 GKAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cccc(Cl)c4)o2)N3)C1 ZINC000006857677 570497145 /nfs/dbraw/zinc/49/71/45/570497145.db2.gz MLYMVZUFBLWOBR-GOSISDBHSA-N 1 1 399.903 5.078 50 0 GKAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cccc(Cl)c4)o2)N3)C1 ZINC000006857677 570497147 /nfs/dbraw/zinc/49/71/47/570497147.db2.gz MLYMVZUFBLWOBR-GOSISDBHSA-N 1 1 399.903 5.078 50 0 GKAAMO Cc1nn2c(nc(C(C)(C)C)cc2-n2cc[nH+]c2C)c1-c1ccc(Cl)cc1 ZINC000005207850 570506529 /nfs/dbraw/zinc/50/65/29/570506529.db2.gz RARZKLQQWXKDKP-UHFFFAOYSA-N 1 1 379.895 5.150 50 0 GKAAMO Clc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC2CCCC2)c1 ZINC000002714652 570509238 /nfs/dbraw/zinc/50/92/38/570509238.db2.gz SUOPYJJMAQHPLG-UHFFFAOYSA-N 1 1 388.902 6.095 50 0 GKAAMO CCCN(CCC)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 ZINC000002714959 570509775 /nfs/dbraw/zinc/50/97/75/570509775.db2.gz JNEVYUAEHGRVPI-UHFFFAOYSA-N 1 1 384.527 6.022 50 0 GKAAMO CC(C)OC1CC[NH+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000078796750 570509800 /nfs/dbraw/zinc/50/98/00/570509800.db2.gz WQXUNOJSWQTJAD-UHFFFAOYSA-N 1 1 384.467 5.218 50 0 GKAAMO COCC[N@@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000033018805 570518448 /nfs/dbraw/zinc/51/84/48/570518448.db2.gz WZYJIHWWDBAGCG-UHFFFAOYSA-N 1 1 393.527 5.182 50 0 GKAAMO CCOC(=O)Cn1cc(C[N@H+]2CCCCC[C@@H]2c2cccs2)c2ccccc21 ZINC000033087062 570519253 /nfs/dbraw/zinc/51/92/53/570519253.db2.gz SAZWKUDQMBYFJZ-OAQYLSRUSA-N 1 1 396.556 5.383 50 0 GKAAMO COc1cc(C[N@H+]2CCCCC[C@@H]2c2ccc(C)s2)cc(OC)c1OC ZINC000033087280 570519895 /nfs/dbraw/zinc/51/98/95/570519895.db2.gz ALOIAWSCXZGKSN-QGZVFWFLSA-N 1 1 375.534 5.200 50 0 GKAAMO COc1ccc(C[N@H+]2CCCC[C@H]2c2cccnc2)cc1OCc1ccccc1 ZINC000001193420 570535305 /nfs/dbraw/zinc/53/53/05/570535305.db2.gz DZEAWTMYCXLWJR-QHCPKHFHSA-N 1 1 388.511 5.396 50 0 GKAAMO COc1ccc(C[N@@H+]2CCCn3c4ccc(C)cc4c4c3[C@H]2CCC4)c(OC)c1 ZINC000022077996 570537727 /nfs/dbraw/zinc/53/77/27/570537727.db2.gz OBVLDPQSCXUBJU-HSZRJFAPSA-N 1 1 390.527 5.250 50 0 GKAAMO COc1ccc(C[N@H+]2CCCn3c4ccc(C)cc4c4c3[C@H]2CCC4)c(OC)c1 ZINC000022077996 570537730 /nfs/dbraw/zinc/53/77/30/570537730.db2.gz OBVLDPQSCXUBJU-HSZRJFAPSA-N 1 1 390.527 5.250 50 0 GKAAMO COc1ccc(C[N@@H+]2CCCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)cc1OC ZINC000022077999 570537781 /nfs/dbraw/zinc/53/77/81/570537781.db2.gz UXPROVIXPHTLDY-QFIPXVFZSA-N 1 1 390.527 5.250 50 0 GKAAMO COc1ccc(C[N@H+]2CCCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)cc1OC ZINC000022077999 570537782 /nfs/dbraw/zinc/53/77/82/570537782.db2.gz UXPROVIXPHTLDY-QFIPXVFZSA-N 1 1 390.527 5.250 50 0 GKAAMO Cc1ccc(C)c(C[N@H+](Cc2ccc(F)cc2)C[C@H](O)Cc2ccccc2)c1 ZINC000036103965 570540934 /nfs/dbraw/zinc/54/09/34/570540934.db2.gz PYJXMTMLEXFLSG-RUZDIDTESA-N 1 1 377.503 5.048 50 0 GKAAMO C[C@@H]1CCC[N@H+]([C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)C1 ZINC000034896596 570547141 /nfs/dbraw/zinc/54/71/41/570547141.db2.gz XLHQGNYHSBLDPS-KUHUBIRLSA-N 1 1 377.315 5.405 50 0 GKAAMO CCCC(O)(CCC)c1ccc(C[N@H+](Cc2ccccc2C)C[C@@H]2CCCO2)o1 ZINC000036203220 570568574 /nfs/dbraw/zinc/56/85/74/570568574.db2.gz KFKINKIBUOZBCC-QFIPXVFZSA-N 1 1 399.575 5.557 50 0 GKAAMO Cc1ccc(-c2csc3[nH]c(C[N@H+](C)C4CCCCC4)nc(=O)c23)c(C)c1 ZINC000036204108 570569072 /nfs/dbraw/zinc/56/90/72/570569072.db2.gz QCLUNFGFCTUANP-UHFFFAOYSA-N 1 1 381.545 5.033 50 0 GKAAMO COc1ccc2cc(-c3n[nH]cc3C[N@@H+]3CCC[C@H]3c3nccs3)ccc2c1 ZINC000011664338 570578328 /nfs/dbraw/zinc/57/83/28/570578328.db2.gz GXNIMKSAARPCCT-FQEVSTJZSA-N 1 1 390.512 5.032 50 0 GKAAMO COc1ccc2cc(-c3n[nH]cc3C[N@H+]3CCC[C@H]3c3nccs3)ccc2c1 ZINC000011664338 570578330 /nfs/dbraw/zinc/57/83/30/570578330.db2.gz GXNIMKSAARPCCT-FQEVSTJZSA-N 1 1 390.512 5.032 50 0 GKAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccsc2)C1)c1ccc(-c2ccccc2)cc1 ZINC000011844515 570588284 /nfs/dbraw/zinc/58/82/84/570588284.db2.gz JNPWAIOYSXVXRU-IBGZPJMESA-N 1 1 390.552 5.057 50 0 GKAAMO COc1ccccc1/C=C/C[N@H+]1CCC[C@H](c2n[nH]cc2-c2ccc(F)cc2)C1 ZINC000011911679 570592194 /nfs/dbraw/zinc/59/21/94/570592194.db2.gz CXLZTINPHLPYFT-PDGUBNMISA-N 1 1 391.490 5.117 50 0 GKAAMO CCCCc1ccc(NC(=O)C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000003327109 570603808 /nfs/dbraw/zinc/60/38/08/570603808.db2.gz XXNPSINDQMTYNP-UHFFFAOYSA-N 1 1 378.438 5.119 50 0 GKAAMO CCCCc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000003327109 570603812 /nfs/dbraw/zinc/60/38/12/570603812.db2.gz XXNPSINDQMTYNP-UHFFFAOYSA-N 1 1 378.438 5.119 50 0 GKAAMO COCC[C@H]1CCCC[N@H+]1Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C ZINC000012193152 570622415 /nfs/dbraw/zinc/62/24/15/570622415.db2.gz BVRUKSMTZUIYQH-QGZVFWFLSA-N 1 1 382.426 5.060 50 0 GKAAMO COc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)cc1 ZINC000043083292 570625630 /nfs/dbraw/zinc/62/56/30/570625630.db2.gz FMSKBXOZPSNOHZ-SFHVURJKSA-N 1 1 381.907 5.118 50 0 GKAAMO CCOc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000036347743 570630276 /nfs/dbraw/zinc/63/02/76/570630276.db2.gz VPERQPWXAKWMGP-VWLOTQADSA-N 1 1 390.527 5.281 50 0 GKAAMO CC(C)(C)c1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccccc2F)cc1 ZINC000036347834 570630400 /nfs/dbraw/zinc/63/04/00/570630400.db2.gz HDZWNJFHYLRPNQ-XMMPIXPASA-N 1 1 376.519 5.920 50 0 GKAAMO COc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccc(C(C)C)cc2)cc1O ZINC000036348743 570630749 /nfs/dbraw/zinc/63/07/49/570630749.db2.gz BFHWLBGYRBCKBG-VWLOTQADSA-N 1 1 390.527 5.321 50 0 GKAAMO CCOc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000036348020 570630980 /nfs/dbraw/zinc/63/09/80/570630980.db2.gz NHVWSCYTHXKTHZ-AREMUKBSSA-N 1 1 388.555 6.006 50 0 GKAAMO C=C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000136611925 570631607 /nfs/dbraw/zinc/63/16/07/570631607.db2.gz AQAGPBXWLXHMCE-AVRWGWEMSA-N 1 1 379.544 5.749 50 0 GKAAMO COc1cccc(OC[C@@H]2CCC[N@@H+](Cc3nc(-c4ccsc4)oc3C)C2)c1 ZINC000012387202 570651794 /nfs/dbraw/zinc/65/17/94/570651794.db2.gz ZXYOUCOCVSIOHK-QGZVFWFLSA-N 1 1 398.528 5.011 50 0 GKAAMO COc1ccc([C@H]2CCCCC[N@@H+]2[C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 ZINC000036389956 570671413 /nfs/dbraw/zinc/67/14/13/570671413.db2.gz UMZYZWLHLXYLRD-DYESRHJHSA-N 1 1 396.531 5.031 50 0 GKAAMO COc1ccc([C@H]2CCCCC[N@H+]2[C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 ZINC000036389956 570671414 /nfs/dbraw/zinc/67/14/14/570671414.db2.gz UMZYZWLHLXYLRD-DYESRHJHSA-N 1 1 396.531 5.031 50 0 GKAAMO Cc1oc(-c2ccc(F)cc2F)nc1C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000012583331 570684474 /nfs/dbraw/zinc/68/44/74/570684474.db2.gz VSSQVLKRNBVKRB-UHFFFAOYSA-N 1 1 398.453 5.109 50 0 GKAAMO Cc1oc(-c2ccsc2)nc1C[N@H+]1CCCC[C@@H]1CCc1cccc(O)c1 ZINC000012586800 570685519 /nfs/dbraw/zinc/68/55/19/570685519.db2.gz SJNYHXZYHUBYLG-LJQANCHMSA-N 1 1 382.529 5.404 50 0 GKAAMO Cc1oc(-c2cc(F)ccc2F)nc1C[NH+]1CCC(Oc2ccccc2C)CC1 ZINC000012593735 570688132 /nfs/dbraw/zinc/68/81/32/570688132.db2.gz RSPOOXLMRCPDOD-UHFFFAOYSA-N 1 1 398.453 5.280 50 0 GKAAMO Fc1ccccc1N1CC[NH+](Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1 ZINC000055543357 570696210 /nfs/dbraw/zinc/69/62/10/570696210.db2.gz BGBHAOWTIAAJQP-UHFFFAOYSA-N 1 1 396.893 5.594 50 0 GKAAMO O=C(Nc1ccccc1C(F)(F)F)N[C@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000012714870 570703665 /nfs/dbraw/zinc/70/36/65/570703665.db2.gz IHMINOLINKNHKQ-HNNXBMFYSA-N 1 1 383.458 5.014 50 0 GKAAMO O=C(Nc1cccc(C[NH2+]Cc2ccccc2Cl)c1)c1ccccc1Cl ZINC000017310502 570703938 /nfs/dbraw/zinc/70/39/38/570703938.db2.gz WDXBXLUDAQQDPO-UHFFFAOYSA-N 1 1 385.294 5.536 50 0 GKAAMO Fc1ccc(-c2noc([C@@H]3CCC[N@@H+](Cc4ccc(F)cc4Cl)C3)n2)cc1 ZINC000058159771 570712289 /nfs/dbraw/zinc/71/22/89/570712289.db2.gz ZOGQHDBNDLQAPA-OAHLLOKOSA-N 1 1 389.833 5.048 50 0 GKAAMO C=C1C(CC)=C(c2ccccc2)[NH+]=C(c2ccccc2)N1Cc1ccc(Cl)cc1 ZINC000006962346 570722196 /nfs/dbraw/zinc/72/21/96/570722196.db2.gz WMDBGBTUCBZCQQ-UHFFFAOYSA-N 1 1 398.937 6.937 50 0 GKAAMO c1csc(-c2cc(C[NH+]3CCC(c4nc5ccccc5s4)CC3)no2)c1 ZINC000006978574 570725288 /nfs/dbraw/zinc/72/52/88/570725288.db2.gz KXSSDURUQNNROD-UHFFFAOYSA-N 1 1 381.526 5.392 50 0 GKAAMO Cc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2NCc1ccco1 ZINC000021797993 570745869 /nfs/dbraw/zinc/74/58/69/570745869.db2.gz HHQFDUMVOJAUNC-UHFFFAOYSA-N 1 1 380.451 5.601 50 0 GKAAMO CCNc1nc(Nc2ccc(NC(=O)c3ccc(F)cc3Cl)cc2)cc(C)[nH+]1 ZINC000064800800 570756578 /nfs/dbraw/zinc/75/65/78/570756578.db2.gz BYZSBNBQLPSJQJ-UHFFFAOYSA-N 1 1 399.857 5.005 50 0 GKAAMO CCc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccc(Cl)cc2)ccc1O ZINC000036614396 570758473 /nfs/dbraw/zinc/75/84/73/570758473.db2.gz INNVAFCCUUWNAL-JRFVFWCSSA-N 1 1 399.962 5.476 50 0 GKAAMO CCc1cccc(OCC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)c1 ZINC000036719049 570801066 /nfs/dbraw/zinc/80/10/66/570801066.db2.gz IMUMILKOSQWARS-UHFFFAOYSA-N 1 1 380.532 5.031 50 0 GKAAMO Cc1ccc([C@@H](c2c3ccccc3n(O)c2-c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000005968775 570810215 /nfs/dbraw/zinc/81/02/15/570810215.db2.gz VXQJKUKFFIBNMK-VWLOTQADSA-N 1 1 398.506 5.276 50 0 GKAAMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C(=S)Nc2cccc(Cl)c2)CC1 ZINC000004668304 570814491 /nfs/dbraw/zinc/81/44/91/570814491.db2.gz FKTQWQHUUZIQEN-BEFAXECRSA-N 1 1 380.001 5.012 50 0 GKAAMO Cc1ccc(NC(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)cc1F ZINC000033140103 570826917 /nfs/dbraw/zinc/82/69/17/570826917.db2.gz YGPIDKAMXXAIDI-UHFFFAOYSA-N 1 1 375.447 5.294 50 0 GKAAMO Cc1ccc(NC(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)cc1F ZINC000033140103 570826920 /nfs/dbraw/zinc/82/69/20/570826920.db2.gz YGPIDKAMXXAIDI-UHFFFAOYSA-N 1 1 375.447 5.294 50 0 GKAAMO C[C@@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)Nc1c(Cl)cccc1Cl ZINC000012530955 570833670 /nfs/dbraw/zinc/83/36/70/570833670.db2.gz IRRBMGDNGTZRDM-CQSZACIVSA-N 1 1 392.330 5.423 50 0 GKAAMO COc1ccccc1[C@H](C)[N@@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000032825419 570839257 /nfs/dbraw/zinc/83/92/57/570839257.db2.gz PMYOQHOBGHLUKE-ZDUSSCGKSA-N 1 1 381.303 5.024 50 0 GKAAMO C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 ZINC000004700292 570844064 /nfs/dbraw/zinc/84/40/64/570844064.db2.gz BBDOSESKEVIKKL-OAHLLOKOSA-N 1 1 391.342 5.083 50 0 GKAAMO CC(C)n1c2ccccc2nc1[C@H](C)NC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000170591536 570849426 /nfs/dbraw/zinc/84/94/26/570849426.db2.gz NBAABOUCCWNHHT-SFHVURJKSA-N 1 1 394.538 5.072 50 0 GKAAMO CSc1ccccc1NC(=O)[C@@H](C)Nc1ccc([NH+]2CCC(C)CC2)cc1 ZINC000012551452 570855026 /nfs/dbraw/zinc/85/50/26/570855026.db2.gz PBVUXVRFYUPJLL-QGZVFWFLSA-N 1 1 383.561 5.084 50 0 GKAAMO COc1ccc(C[N@@H+](C)[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1OC ZINC000003336713 570858424 /nfs/dbraw/zinc/85/84/24/570858424.db2.gz GVMYQVTYOKRTOH-QHCPKHFHSA-N 1 1 381.903 5.579 50 0 GKAAMO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@@H+](CC1CC1)C[C@@H]1CCCO1 ZINC000014953557 570865556 /nfs/dbraw/zinc/86/55/56/570865556.db2.gz XGOKGAMYHJFVJL-SFHVURJKSA-N 1 1 394.437 5.060 50 0 GKAAMO CCNc1nc(Nc2ccc(NC(=O)Nc3cccc(F)c3C)cc2)cc(C)[nH+]1 ZINC000072117806 570866540 /nfs/dbraw/zinc/86/65/40/570866540.db2.gz RORMPTLFRVPTOX-UHFFFAOYSA-N 1 1 394.454 5.052 50 0 GKAAMO Cc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3CCc3ccccn3)c(C)o2)s1 ZINC000014979109 570869196 /nfs/dbraw/zinc/86/91/96/570869196.db2.gz ZRBIVJHCSZAPKH-LJQANCHMSA-N 1 1 381.545 5.402 50 0 GKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2c(Cl)cccc2Cl)N3)C1 ZINC000004554059 570880632 /nfs/dbraw/zinc/88/06/32/570880632.db2.gz ZQRDBJYKDHZHEK-INIZCTEOSA-N 1 1 396.343 5.250 50 0 GKAAMO COc1cc2c(cc1OC)C[N@H+](Cc1cccc(Oc3ccccc3)c1)CC2 ZINC000001227293 570883271 /nfs/dbraw/zinc/88/32/71/570883271.db2.gz QAPXPEDYZFAZMP-UHFFFAOYSA-N 1 1 375.468 5.054 50 0 biogenic GKAAMO COc1cc2c(cc1OC)C[N@@H+](Cc1cccc(Oc3ccccc3)c1)CC2 ZINC000001227293 570883275 /nfs/dbraw/zinc/88/32/75/570883275.db2.gz QAPXPEDYZFAZMP-UHFFFAOYSA-N 1 1 375.468 5.054 50 0 biogenic GKAAMO COc1ccc([C@H](C)[N@H+](C)Cc2nc3ccccc3c(-c3ccccc3)n2)cc1 ZINC000096996616 570885359 /nfs/dbraw/zinc/88/53/59/570885359.db2.gz WNVBTZQVWHRSEQ-SFHVURJKSA-N 1 1 383.495 5.498 50 0 GKAAMO COc1ccc([C@H](C)[N@@H+](C)Cc2nc3ccccc3c(-c3ccccc3)n2)cc1 ZINC000096996616 570885361 /nfs/dbraw/zinc/88/53/61/570885361.db2.gz WNVBTZQVWHRSEQ-SFHVURJKSA-N 1 1 383.495 5.498 50 0 GKAAMO C[C@H]1CCC[N@@H+](CCCCOc2ccc3ccccc3c2Br)C1 ZINC000002822120 570933210 /nfs/dbraw/zinc/93/32/10/570933210.db2.gz GUTDENZXJUCIJA-INIZCTEOSA-N 1 1 376.338 5.493 50 0 GKAAMO C(=C/c1ccccc1)\CN1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000019156875 570959547 /nfs/dbraw/zinc/95/95/47/570959547.db2.gz XTQZJJBBOYCKFA-RIYZIHGNSA-N 1 1 398.550 5.097 50 0 GKAAMO C(=C/c1ccccc1)\C[NH+]1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000019156875 570959550 /nfs/dbraw/zinc/95/95/50/570959550.db2.gz XTQZJJBBOYCKFA-RIYZIHGNSA-N 1 1 398.550 5.097 50 0 GKAAMO C[C@H](C(=O)c1c[nH]c2ccccc12)[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012750572 571003237 /nfs/dbraw/zinc/00/32/37/571003237.db2.gz SKHIUGOCIGKCSJ-HZPDHXFCSA-N 1 1 389.524 5.228 50 0 GKAAMO Cc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cccc(C(F)(F)F)c2)cc1C ZINC000037522277 571023445 /nfs/dbraw/zinc/02/34/45/571023445.db2.gz ACSVAICOMRWMJR-HSZRJFAPSA-N 1 1 398.472 6.119 50 0 GKAAMO Cc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cccc(C(F)(F)F)c2)cc1C ZINC000037522277 571023448 /nfs/dbraw/zinc/02/34/48/571023448.db2.gz ACSVAICOMRWMJR-HSZRJFAPSA-N 1 1 398.472 6.119 50 0 GKAAMO Cc1ccccc1C[N@H+]1CCCn2cccc2[C@H]1c1cccc(C(F)(F)F)c1 ZINC000037522262 571023465 /nfs/dbraw/zinc/02/34/65/571023465.db2.gz SPMJZACFXJTMAR-JOCHJYFZSA-N 1 1 384.445 5.811 50 0 GKAAMO Cc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000037522449 571024081 /nfs/dbraw/zinc/02/40/81/571024081.db2.gz KLOYTTPJLUSPEM-QFIPXVFZSA-N 1 1 384.445 5.811 50 0 GKAAMO Cc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000037522449 571024083 /nfs/dbraw/zinc/02/40/83/571024083.db2.gz KLOYTTPJLUSPEM-QFIPXVFZSA-N 1 1 384.445 5.811 50 0 GKAAMO c1coc(C[N@@H+]2CCCn3cccc3[C@H]2c2cccc(Oc3ccccc3)c2)c1 ZINC000037522381 571024119 /nfs/dbraw/zinc/02/41/19/571024119.db2.gz MCSZHUBTOGUONU-RUZDIDTESA-N 1 1 384.479 5.869 50 0 GKAAMO c1coc(C[N@H+]2CCCn3cccc3[C@H]2c2cccc(Oc3ccccc3)c2)c1 ZINC000037522381 571024120 /nfs/dbraw/zinc/02/41/20/571024120.db2.gz MCSZHUBTOGUONU-RUZDIDTESA-N 1 1 384.479 5.869 50 0 GKAAMO COc1ccc(C[N@H+](Cc2nc(C(C)(C)C)no2)[C@H](C)Cc2cccs2)cc1 ZINC000012777657 571031372 /nfs/dbraw/zinc/03/13/72/571031372.db2.gz MJTMPUPCAMDIDP-MRXNPFEDSA-N 1 1 399.560 5.071 50 0 GKAAMO COc1ccc(C[N@@H+](Cc2nc(C(C)(C)C)no2)[C@H](C)Cc2cccs2)cc1 ZINC000012777657 571031375 /nfs/dbraw/zinc/03/13/75/571031375.db2.gz MJTMPUPCAMDIDP-MRXNPFEDSA-N 1 1 399.560 5.071 50 0 GKAAMO Cc1ccc(-c2nc(C[NH+]3CCC(OCc4ccccc4)CC3)c(C)o2)s1 ZINC000014976484 210138776 /nfs/dbraw/zinc/13/87/76/210138776.db2.gz JDGJWKLUDOTELV-UHFFFAOYSA-N 1 1 382.529 5.201 50 0 GKAAMO CCc1cccc(CC)c1NC(=O)C[N@H+]1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000012991589 210042743 /nfs/dbraw/zinc/04/27/43/210042743.db2.gz VEPJAGKAQYWCKQ-HSZRJFAPSA-N 1 1 394.559 5.376 50 0 GKAAMO