smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[NH+]1CCC(N2CCC[C@@H](C(=O)NCc3cnc4ccccn34)C2)CC1 ZINC000012206928 204383965 /nfs/dbraw/zinc/38/39/65/204383965.db2.gz QLIGSTKVJZSKMJ-GOSISDBHSA-N 1 3 383.540 2.535 50 0 GFAAHO CC(C)c1ccc(CN2CCC[C@](O)(C[NH+]3CCC(N(C)C)CC3)C2=O)cc1 ZINC000067726559 205257117 /nfs/dbraw/zinc/25/71/17/205257117.db2.gz HSSAHJKPKPTEBQ-QHCPKHFHSA-N 1 3 387.568 2.690 50 0 GFAAHO CN1CCC([N@@H+]2CCN(Cc3ccc(C(F)(F)F)cc3)C[C@@H]2CCO)CC1 ZINC000020211877 570247962 /nfs/dbraw/zinc/24/79/62/570247962.db2.gz BTCZTEWQZFUVRI-IBGZPJMESA-N 1 3 385.474 2.668 50 0 GFAAHO CN1CCC([N@H+]2CCN(Cc3ccc(C(F)(F)F)cc3)C[C@@H]2CCO)CC1 ZINC000020211877 570247966 /nfs/dbraw/zinc/24/79/66/570247966.db2.gz BTCZTEWQZFUVRI-IBGZPJMESA-N 1 3 385.474 2.668 50 0 GFAAHO Cc1c2cc(C)ccc2[nH]c1CN1CC[N@@H+](C2CCN(C)CC2)[C@@H](CCO)C1 ZINC000020877449 570283394 /nfs/dbraw/zinc/28/33/94/570283394.db2.gz DLZDJEJIOPDFID-FQEVSTJZSA-N 1 3 384.568 2.748 50 0 GFAAHO Cc1c2cc(C)ccc2[nH]c1CN1CC[N@H+](C2CCN(C)CC2)[C@@H](CCO)C1 ZINC000020877449 570283398 /nfs/dbraw/zinc/28/33/98/570283398.db2.gz DLZDJEJIOPDFID-FQEVSTJZSA-N 1 3 384.568 2.748 50 0 GFAAHO CCN1CCC[C@@H]1CNC(=O)CCC1CC[NH+](C2CSCCSC2)CC1 ZINC000012372825 570648319 /nfs/dbraw/zinc/64/83/19/570648319.db2.gz CMLVPYQADPGLOC-GOSISDBHSA-N 1 3 399.670 2.928 50 0 GFAAHO COC1CCN(Cc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)CC1 ZINC000095517685 571084592 /nfs/dbraw/zinc/08/45/92/571084592.db2.gz WBQQPSNMCKBAMC-FQEVSTJZSA-N 1 3 376.541 2.913 50 0 GFAAHO CCN1CCN([C@@H](C)C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3F)c2C)CC1 ZINC000048712894 205123770 /nfs/dbraw/zinc/12/37/70/205123770.db2.gz LEQXQAKXZGBTSM-HNNXBMFYSA-N 1 3 391.510 2.883 50 0 GFAAHO c1ccc(C[N@@H+]2CC[C@H](Nc3nc(-c4cccnc4)nc4c3CCNC4)C2)cc1 ZINC000067756058 205258448 /nfs/dbraw/zinc/25/84/48/205258448.db2.gz VWGFECMCMZNOTD-IBGZPJMESA-N 1 3 386.503 2.871 50 0 GFAAHO c1ccc(C[N@H+]2CC[C@H](Nc3nc(-c4cccnc4)nc4c3CCNC4)C2)cc1 ZINC000067756058 205258451 /nfs/dbraw/zinc/25/84/51/205258451.db2.gz VWGFECMCMZNOTD-IBGZPJMESA-N 1 3 386.503 2.871 50 0 GFAAHO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(c4cc(C)nc(N)n4)C3)C2)c1OC ZINC000072143123 205310851 /nfs/dbraw/zinc/31/08/51/205310851.db2.gz YQZQCLNUFALWCM-QFIPXVFZSA-N 1 3 397.523 2.877 50 0 GFAAHO COc1cccc(C[N@H+]2CCC[C@]3(CCN(c4cc(C)nc(N)n4)C3)C2)c1OC ZINC000072143123 205310853 /nfs/dbraw/zinc/31/08/53/205310853.db2.gz YQZQCLNUFALWCM-QFIPXVFZSA-N 1 3 397.523 2.877 50 0 GFAAHO Cc1cc(N2CCC([NH2+]CCCN3CCCc4ccccc43)CC2)nc(N)n1 ZINC000095382829 136178766 /nfs/dbraw/zinc/17/87/66/136178766.db2.gz OSQYCWKFFASGRO-UHFFFAOYSA-N 1 3 380.540 2.769 50 0 GFAAHO CC(C)[NH+]1CCC(N2CCN(c3ccnc4ccccc43)C[C@H]2CCO)CC1 ZINC000106958437 535156175 /nfs/dbraw/zinc/15/61/75/535156175.db2.gz XQDOJYOODDBRNL-HXUWFJFHSA-N 1 3 382.552 2.981 50 0 GFAAHO NCc1cn(CC2CC[NH+](Cc3ccc([C@H]4CCCCO4)s3)CC2)nn1 ZINC000023430873 570362532 /nfs/dbraw/zinc/36/25/32/570362532.db2.gz AEOPRKZXOIGBHO-GOSISDBHSA-N 1 3 375.542 2.952 50 0 GFAAHO CCN(CC)CC(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccccc2OC)C1 ZINC000014965953 570867196 /nfs/dbraw/zinc/86/71/96/570867196.db2.gz UULNBAZERVSAON-IBGZPJMESA-N 1 3 375.557 2.750 50 0 GFAAHO CCN(CC)CC(=O)N(C)C[C@@H]1CCC[N@@H+](CCc2ccccc2OC)C1 ZINC000014965953 570867198 /nfs/dbraw/zinc/86/71/98/570867198.db2.gz UULNBAZERVSAON-IBGZPJMESA-N 1 3 375.557 2.750 50 0 GFAAHO COc1cc(CN2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)ccc1F ZINC000091725408 571027695 /nfs/dbraw/zinc/02/76/95/571027695.db2.gz UIOAERDPZURBSW-UHFFFAOYSA-N 1 3 377.504 2.601 50 0 GFAAHO O[C@H](COc1ccc(CN2CC(N3CCCCC3)C2)cc1)C[NH+]1CCCCC1 ZINC000095497110 571074583 /nfs/dbraw/zinc/07/45/83/571074583.db2.gz WTSXKEPVOCXBGX-QFIPXVFZSA-N 1 3 387.568 2.582 50 0 GFAAHO O=C(c1ncc[nH]1)N(CCN1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095506096 571079026 /nfs/dbraw/zinc/07/90/26/571079026.db2.gz ZIHIFCACTNJNFN-LJQANCHMSA-N 1 3 387.572 2.992 50 0 GFAAHO O=C(c1ncc[nH]1)N(CCN1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000095506096 571079028 /nfs/dbraw/zinc/07/90/28/571079028.db2.gz ZIHIFCACTNJNFN-LJQANCHMSA-N 1 3 387.572 2.992 50 0 GFAAHO COc1cc(CNCCSC)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000011842585 204357180 /nfs/dbraw/zinc/35/71/80/204357180.db2.gz HZVXPOCVBWBRDZ-GOSISDBHSA-N 1 3 382.570 2.764 50 0 GFAAHO COCCN1CCC(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)C2CCCC2)C3)CC1 ZINC000067821279 205261873 /nfs/dbraw/zinc/26/18/73/205261873.db2.gz BLBWGMUPVSWZFD-QHCPKHFHSA-N 1 3 391.600 2.850 50 0 GFAAHO COCCN1CCC(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)C2CCCC2)C3)CC1 ZINC000067821279 205261878 /nfs/dbraw/zinc/26/18/78/205261878.db2.gz BLBWGMUPVSWZFD-QHCPKHFHSA-N 1 3 391.600 2.850 50 0 GFAAHO CC[NH+](CC)CCN1C(=O)CC[C@@H]1CCNCc1cc2c(cc1Cl)OCO2 ZINC000299762714 206185824 /nfs/dbraw/zinc/18/58/24/206185824.db2.gz XBNBRFRQOBYIMF-MRXNPFEDSA-N 1 3 395.931 2.881 50 0 GFAAHO CCCOc1ccc(Cl)cc1CNC(=O)[C@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072476589 222265792 /nfs/dbraw/zinc/26/57/92/222265792.db2.gz BJTWUGWVAMDWMY-QGZVFWFLSA-N 1 3 379.932 2.819 50 0 GFAAHO Cc1cc(C)nc(CCNCc2ccccc2OC[C@@H](O)C[NH+]2CCCCC2)n1 ZINC000011933125 204363056 /nfs/dbraw/zinc/36/30/56/204363056.db2.gz MGPISHDIVLMNNS-NRFANRHFSA-N 1 3 398.551 2.651 50 0 GFAAHO O=C(NCC(F)F)[C@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071758974 205294007 /nfs/dbraw/zinc/29/40/07/205294007.db2.gz JXXIFXLNFZMQNQ-SFHVURJKSA-N 1 3 391.506 2.712 50 0 GFAAHO CCCN1CC2(C[C@H]1C(=O)N(C)Cc1cccnc1Cl)CC[NH+](C)CC2 ZINC000072417946 205347118 /nfs/dbraw/zinc/34/71/18/205347118.db2.gz PNYDDUWNIOZTLC-KRWDZBQOSA-N 1 3 378.948 2.890 50 0 GFAAHO Cc1ncsc1CCNC(=O)[C@@H]1CCCN(C2CC[NH+](C(C)C)CC2)C1 ZINC000019229351 570965008 /nfs/dbraw/zinc/96/50/08/570965008.db2.gz DHMCSSWTNFXDHO-QGZVFWFLSA-N 1 3 378.586 2.695 50 0 GFAAHO CN(C)CCN1CC2(CCC1=O)CC[NH+](Cc1ccc(-n3ccnc3)cc1)CC2 ZINC000095373276 571062756 /nfs/dbraw/zinc/06/27/56/571062756.db2.gz IGWHKMDBEPTUTC-UHFFFAOYSA-N 1 3 395.551 2.639 50 0 GFAAHO COc1ccc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1OC ZINC000004552750 204051935 /nfs/dbraw/zinc/05/19/35/204051935.db2.gz QVFWTRAZVBUFNE-UHFFFAOYSA-N 1 3 391.556 2.620 50 0 GFAAHO Cc1nn(C)c(C)c1CN(C)C(=O)[C@@H]1CCCN(C2CC[NH+](C(C)C)CC2)C1 ZINC000011842127 204357219 /nfs/dbraw/zinc/35/72/19/204357219.db2.gz YONIVCJAGNELHR-LJQANCHMSA-N 1 3 389.588 2.580 50 0 GFAAHO CN(C)CCNC(=O)c1ccc(OC2CC[NH+](CC3CC3)CC2)c(Cl)c1 ZINC000095498677 205471213 /nfs/dbraw/zinc/47/12/13/205471213.db2.gz JHRLEFHMYOLEDH-UHFFFAOYSA-N 1 3 379.932 2.885 50 0 GFAAHO Cc1nc(C(=O)NCCC[NH+]2CCC(C)CC2)c(C)n1C1CCN(C)CC1 ZINC000065257291 570755994 /nfs/dbraw/zinc/75/59/94/570755994.db2.gz WUWRFUSJZXTFQO-UHFFFAOYSA-N 1 3 375.561 2.618 50 0 GFAAHO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2ccc3nonc3c2)CC1 ZINC000012196967 204380866 /nfs/dbraw/zinc/38/08/66/204380866.db2.gz VFJODCBPFQWQRP-LJQANCHMSA-N 1 3 399.539 2.816 50 0 GFAAHO CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2ccc3nonc3c2)CC1 ZINC000012196967 204380871 /nfs/dbraw/zinc/38/08/71/204380871.db2.gz VFJODCBPFQWQRP-LJQANCHMSA-N 1 3 399.539 2.816 50 0 GFAAHO CN(CCc1ccccc1)C1(C(=O)N2CCC[C@@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000072151411 205311240 /nfs/dbraw/zinc/31/12/40/205311240.db2.gz ALGSQAOEDCTVPU-NRFANRHFSA-N 1 3 391.559 2.896 50 0 GFAAHO CN(Cc1ccccc1)C1(C(=O)NCC[C@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000072154385 205312179 /nfs/dbraw/zinc/31/21/79/205312179.db2.gz JZEFDLXWAKFIMO-JOCHJYFZSA-N 1 3 377.532 2.914 50 0 GFAAHO Cc1c(C(=O)NCCN(C)C)c(C(F)(F)F)nn1C1CC[NH+](C(C)C)CC1 ZINC000049362720 205670301 /nfs/dbraw/zinc/67/03/01/205670301.db2.gz YFNHKHSUTFINQY-UHFFFAOYSA-N 1 3 389.466 2.547 50 0 GFAAHO CC(C)[NH+]1CCC(N2CCN(c3ccnc4ccccc43)C[C@@H]2CCO)CC1 ZINC000072421253 535156415 /nfs/dbraw/zinc/15/64/15/535156415.db2.gz XQDOJYOODDBRNL-FQEVSTJZSA-N 1 3 382.552 2.981 50 0 GFAAHO CC(C)(CNC(=O)NCC1(N2CCSCC2)CCCC1)[NH+]1CCCCC1 ZINC000097357638 570428073 /nfs/dbraw/zinc/42/80/73/570428073.db2.gz CITAAKQRJLLNOX-UHFFFAOYSA-N 1 3 382.618 2.912 50 0 GFAAHO O=C(NC[C@H]1CCCO1)[C@@H]1C[C@H](C[NH+]2CCCC2)CN(CCc2ccccc2)C1 ZINC000014748960 570858889 /nfs/dbraw/zinc/85/88/89/570858889.db2.gz NNKNPPJVZBFWQP-DNVJHFABSA-N 1 3 399.579 2.558 50 0 GFAAHO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000107509021 570974278 /nfs/dbraw/zinc/97/42/78/570974278.db2.gz CAZRVGSBVPONLY-KNQAVFIVSA-N 1 3 386.584 2.572 50 0 GFAAHO CC[N@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000107509021 570974282 /nfs/dbraw/zinc/97/42/82/570974282.db2.gz CAZRVGSBVPONLY-KNQAVFIVSA-N 1 3 386.584 2.572 50 0 GFAAHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N(C)C[C@H]1CCCC[C@H]1O ZINC000241588046 231039149 /nfs/dbraw/zinc/03/91/49/231039149.db2.gz OZERHNRGFYBTHG-SYYKKAFVSA-N 1 3 387.568 2.639 50 0 GFAAHO N[C@@H](CCCC[NH3+])C(=O)N1CCc2onc(-c3cccc4ccccc43)c2C1 ZINC000067677305 205254229 /nfs/dbraw/zinc/25/42/29/205254229.db2.gz IEMAZXBSTJYARM-IBGZPJMESA-N 1 3 378.476 2.836 50 0 GFAAHO CN(C)CCNC(=O)CCC1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000067965905 205270244 /nfs/dbraw/zinc/27/02/44/205270244.db2.gz WRTCOEVHRZRSAO-UHFFFAOYSA-N 1 3 383.540 2.747 50 0 GFAAHO C[C@H]1CN(CC2CC[NH+](CCCn3c4ccccc4oc3=O)CC2)C[C@H](C)O1 ZINC000069016717 205271838 /nfs/dbraw/zinc/27/18/38/205271838.db2.gz YXOHWNVJKLOVPI-ROUUACIJSA-N 1 3 387.524 2.806 50 0 GFAAHO CN(CCc1ccccc1)C1(C(=O)NC[C@@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000072135240 205309185 /nfs/dbraw/zinc/30/91/85/205309185.db2.gz CPLCJEGIBSCSLS-QFIPXVFZSA-N 1 3 377.532 2.567 50 0 GFAAHO CN(CCc1ccccc1)C1(C(=O)N2CC[C@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000072157752 205312552 /nfs/dbraw/zinc/31/25/52/205312552.db2.gz CVHZUEXHTLAIEF-HXUWFJFHSA-N 1 3 377.532 2.506 50 0 GFAAHO CN(CCc1ccccc1)C1(C(=O)N2CC[C@@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000072157754 205313687 /nfs/dbraw/zinc/31/36/87/205313687.db2.gz CVHZUEXHTLAIEF-FQEVSTJZSA-N 1 3 377.532 2.506 50 0 GFAAHO CCCN1CC2(C[C@H]1C(=O)N(C)Cc1cc(C(C)C)no1)CC[NH+](C)CC2 ZINC000072479891 205355353 /nfs/dbraw/zinc/35/53/53/205355353.db2.gz SLCJWCTWJOAFBV-IBGZPJMESA-N 1 3 376.545 2.953 50 0 GFAAHO Cc1cccc(N2CCC(N3CCN([C@@H]4C[NH+]5CCC4CC5)CC3)CC2)c1C ZINC000065381151 136163698 /nfs/dbraw/zinc/16/36/98/136163698.db2.gz JIZCJTOSGCCLLB-XMMPIXPASA-N 1 3 382.596 2.984 50 0 GFAAHO C[NH+](C)CCOc1cccc(CN2CCN(CC(C)(C)C)[C@H](CCO)C2)c1 ZINC000104329781 570257264 /nfs/dbraw/zinc/25/72/64/570257264.db2.gz DVRMFYKLSVJFKY-HXUWFJFHSA-N 1 3 377.573 2.542 50 0 GFAAHO O=C(NC1CCC1)[C@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000014980881 570869129 /nfs/dbraw/zinc/86/91/29/570869129.db2.gz RTECLDABVRXVKC-FQEVSTJZSA-N 1 3 381.564 2.999 50 0 GFAAHO Cc1ccc2ccccc2c1C[N@@H+]1C[C@H](CO)[C@H](CN2CCCN(C)CC2)C1 ZINC000092080666 571044218 /nfs/dbraw/zinc/04/42/18/571044218.db2.gz NNZFTZNNJHSAPI-FGZHOGPDSA-N 1 3 381.564 2.826 50 0 GFAAHO Cc1ccc2ccccc2c1C[N@H+]1C[C@H](CO)[C@H](CN2CCCN(C)CC2)C1 ZINC000092080666 571044221 /nfs/dbraw/zinc/04/42/21/571044221.db2.gz NNZFTZNNJHSAPI-FGZHOGPDSA-N 1 3 381.564 2.826 50 0 GFAAHO CCc1ccc(CN2CCC3(CC2)CC[N@@H+](C2CCOCC2)C[C@H]3CO)nc1 ZINC000097578991 570246986 /nfs/dbraw/zinc/24/69/86/570246986.db2.gz SGFBFFAIPHUYJZ-FQEVSTJZSA-N 1 3 387.568 2.719 50 0 GFAAHO CCc1ccc(CN2CCC3(CC2)CC[N@H+](C2CCOCC2)C[C@H]3CO)nc1 ZINC000097578991 570246990 /nfs/dbraw/zinc/24/69/90/570246990.db2.gz SGFBFFAIPHUYJZ-FQEVSTJZSA-N 1 3 387.568 2.719 50 0 GFAAHO O[C@@H](COc1ccc(CN2CC(N3CCCCC3)C2)cc1)C[NH+]1CCCCC1 ZINC000095497109 208199049 /nfs/dbraw/zinc/19/90/49/208199049.db2.gz WTSXKEPVOCXBGX-JOCHJYFZSA-N 1 3 387.568 2.582 50 0 GFAAHO Nc1ncccc1CN1CCC2(CC1)CC[N@H+](Cc1ccccc1)C[C@H]2CO ZINC000097179404 208344244 /nfs/dbraw/zinc/34/42/44/208344244.db2.gz NVEQHRHIDLDHGI-NRFANRHFSA-N 1 3 380.536 2.760 50 0 GFAAHO Nc1ncccc1CN1CCC2(CC1)CC[N@@H+](Cc1ccccc1)C[C@H]2CO ZINC000097179404 208344246 /nfs/dbraw/zinc/34/42/46/208344246.db2.gz NVEQHRHIDLDHGI-NRFANRHFSA-N 1 3 380.536 2.760 50 0 GFAAHO Cc1cc(N2CCC([NH2+][C@H](Cn3ccnc3)c3ccccc3)CC2)nc(N)n1 ZINC000095365512 136178285 /nfs/dbraw/zinc/17/82/85/136178285.db2.gz NHRGVJIUUTWBOF-LJQANCHMSA-N 1 3 377.496 2.564 50 0 GFAAHO CC(=O)NC[C@@H]1CCC2(CC[NH+](Cc3cc(CN4CCCC4)cs3)CC2)O1 ZINC000299767579 209084230 /nfs/dbraw/zinc/08/42/30/209084230.db2.gz LWYYIHGCWHZJDZ-IBGZPJMESA-N 1 3 391.581 2.994 50 0 GFAAHO CCCCN1CCN(c2ccc(C(=O)NCC[C@@H]3CCCC[N@@H+]3C)cn2)CC1 ZINC000012712699 570703178 /nfs/dbraw/zinc/70/31/78/570703178.db2.gz VIZIPQPTOLUFHF-FQEVSTJZSA-N 1 3 387.572 2.608 50 0 GFAAHO CCCCN1CCN(c2ccc(C(=O)NCC[C@@H]3CCCC[N@H+]3C)cn2)CC1 ZINC000012712699 570703182 /nfs/dbraw/zinc/70/31/82/570703182.db2.gz VIZIPQPTOLUFHF-FQEVSTJZSA-N 1 3 387.572 2.608 50 0 GFAAHO O=C(CCC1CCN(Cc2c[nH]cn2)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095526102 208223863 /nfs/dbraw/zinc/22/38/63/208223863.db2.gz PMZQXVBVCLBLJB-NRFANRHFSA-N 1 3 395.551 2.793 50 0 GFAAHO O=C(CCC1CCN(Cc2c[nH]cn2)CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000095526102 208223870 /nfs/dbraw/zinc/22/38/70/208223870.db2.gz PMZQXVBVCLBLJB-NRFANRHFSA-N 1 3 395.551 2.793 50 0 GFAAHO COc1ccc(CN2CC[N@@H+](C3CCN(C)CC3)[C@H](CCO)C2)c2ccccc12 ZINC000104628106 570259812 /nfs/dbraw/zinc/25/98/12/570259812.db2.gz OSDJREWNPVEZGY-OAQYLSRUSA-N 1 3 397.563 2.811 50 0 GFAAHO COc1ccc(CN2CC[N@H+](C3CCN(C)CC3)[C@H](CCO)C2)c2ccccc12 ZINC000104628106 570259815 /nfs/dbraw/zinc/25/98/15/570259815.db2.gz OSDJREWNPVEZGY-OAQYLSRUSA-N 1 3 397.563 2.811 50 0 GFAAHO COc1ccc(CN2CCN(C3CC[NH+](C)CC3)[C@H](CCO)C2)c2ccccc12 ZINC000104628106 570259817 /nfs/dbraw/zinc/25/98/17/570259817.db2.gz OSDJREWNPVEZGY-OAQYLSRUSA-N 1 3 397.563 2.811 50 0 GFAAHO Cc1nn(C)c(C)c1CN(C)C(=O)[C@H]1CCCN(C2CC[NH+](C(C)C)CC2)C1 ZINC000011842129 570587241 /nfs/dbraw/zinc/58/72/41/570587241.db2.gz YONIVCJAGNELHR-IBGZPJMESA-N 1 3 389.588 2.580 50 0 GFAAHO COc1ccc(CN2CCC(OC)CC2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012706761 570700551 /nfs/dbraw/zinc/70/05/51/570700551.db2.gz MHLOVTWMRJIZBV-IBGZPJMESA-N 1 3 392.540 2.532 50 0 GFAAHO Cc1nc(C(=O)NCC[N@H+](C)C2CCCCC2)c(C)n1C1CCN(C)CC1 ZINC000065257284 570756074 /nfs/dbraw/zinc/75/60/74/570756074.db2.gz CYICVLMAYHBUPG-UHFFFAOYSA-N 1 3 375.561 2.761 50 0 GFAAHO Cc1nc(C(=O)NCC[N@@H+](C)C2CCCCC2)c(C)n1C1CCN(C)CC1 ZINC000065257284 570756076 /nfs/dbraw/zinc/75/60/76/570756076.db2.gz CYICVLMAYHBUPG-UHFFFAOYSA-N 1 3 375.561 2.761 50 0 GFAAHO O=C(NCC(F)F)[C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071758975 570848957 /nfs/dbraw/zinc/84/89/57/570848957.db2.gz JXXIFXLNFZMQNQ-GOSISDBHSA-N 1 3 391.506 2.712 50 0 GFAAHO CN1CCN(Cc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)CC1(C)C ZINC000108274582 529774876 /nfs/dbraw/zinc/77/48/76/529774876.db2.gz DXZQHWXAAKDIRU-NRFANRHFSA-N 1 3 389.584 2.828 50 0 GFAAHO COc1c(C)cc(C)cc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](CCCO)C1 ZINC000091933068 208143918 /nfs/dbraw/zinc/14/39/18/208143918.db2.gz TXYHYHXDAINNTL-IRLDBZIGSA-N 1 3 389.584 2.522 50 0 GFAAHO CC[NH+](CC)C[C@H](O)COc1cc(CN2CCC3(CCO3)CC2)ccc1OC ZINC000095509340 208211986 /nfs/dbraw/zinc/21/19/86/208211986.db2.gz SQHILFGZBDHTPQ-IBGZPJMESA-N 1 3 392.540 2.532 50 0 GFAAHO O=C(N[C@H]1CC[NH2+]C1)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000095511833 208214987 /nfs/dbraw/zinc/21/49/87/208214987.db2.gz AAWJTSAONOUKKS-NRFANRHFSA-N 1 3 393.531 2.864 50 0 GFAAHO CCc1cc(CN2CCC3(CC[NH+](CCCSC)CC3)[C@H](CO)C2)n[nH]1 ZINC000097657147 208359679 /nfs/dbraw/zinc/35/96/79/208359679.db2.gz QTIBLYVKJYMKIL-KRWDZBQOSA-N 1 3 380.602 2.622 50 0 GFAAHO CSC[C@H](C)[NH+]1CCC(N2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000012308016 570639922 /nfs/dbraw/zinc/63/99/22/570639922.db2.gz FXAOAPNMFYEQHZ-KRWDZBQOSA-N 1 3 390.597 2.626 50 0 GFAAHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000195599305 231029217 /nfs/dbraw/zinc/02/92/17/231029217.db2.gz ABQUHHWTKXTADS-FGZHOGPDSA-N 1 3 382.552 2.631 50 0 GFAAHO O=C(CCC1CCN(Cc2c[nH]cn2)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095526103 208223335 /nfs/dbraw/zinc/22/33/35/208223335.db2.gz PMZQXVBVCLBLJB-OAQYLSRUSA-N 1 3 395.551 2.793 50 0 GFAAHO O=C(CCC1CCN(Cc2c[nH]cn2)CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000095526103 208223341 /nfs/dbraw/zinc/22/33/41/208223341.db2.gz PMZQXVBVCLBLJB-OAQYLSRUSA-N 1 3 395.551 2.793 50 0 GFAAHO Cc1cc(C)c2nccc(N3CC[N@@H+](C4CCN(C)CC4)[C@@H](CCO)C3)c2c1 ZINC000106991674 136191614 /nfs/dbraw/zinc/19/16/14/136191614.db2.gz MAHUNNGYNADBDL-FQEVSTJZSA-N 1 3 382.552 2.819 50 0 GFAAHO Cc1cc(C)c2nccc(N3CC[N@H+](C4CCN(C)CC4)[C@@H](CCO)C3)c2c1 ZINC000106991674 136191615 /nfs/dbraw/zinc/19/16/15/136191615.db2.gz MAHUNNGYNADBDL-FQEVSTJZSA-N 1 3 382.552 2.819 50 0 GFAAHO CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[C@H]1CCCCN1CC ZINC000011944565 570450221 /nfs/dbraw/zinc/45/02/21/570450221.db2.gz IARSYPJIOGVURM-OAQYLSRUSA-N 1 3 378.605 2.516 50 0 GFAAHO COC[C@H]1CN(Cc2cc(Br)ccc2OC)CC12CC[NH2+]CC2 ZINC000169789800 655143980 /nfs/dbraw/zinc/14/39/80/655143980.db2.gz XXRXOBKNVIMLLH-OAHLLOKOSA-N 1 3 383.330 2.906 50 0 GFAAHO Cc1ccccc1C[NH+]1CCC(N2CCC(C(=O)N3CCC(O)CC3)CC2)CC1 ZINC000015074568 207046549 /nfs/dbraw/zinc/04/65/49/207046549.db2.gz MJBICXQCTSYOBM-UHFFFAOYSA-N 1 3 399.579 2.655 50 0 GFAAHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000025045363 207299109 /nfs/dbraw/zinc/29/91/09/207299109.db2.gz DHRRYBGWEXUNCC-FGZHOGPDSA-N 1 3 378.520 2.835 50 0 GFAAHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000025045363 207299113 /nfs/dbraw/zinc/29/91/13/207299113.db2.gz DHRRYBGWEXUNCC-FGZHOGPDSA-N 1 3 378.520 2.835 50 0 GFAAHO COCC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2ccc(-c3cc(N)ccn3)cc2)C1 ZINC000426398026 533343047 /nfs/dbraw/zinc/34/30/47/533343047.db2.gz IKQRHYXZBPAPES-KRWDZBQOSA-N 1 3 382.508 2.761 50 0 GFAAHO COCC[N@H+]1CCC[C@@H](CN(C)C(=O)c2ccc(-c3cc(N)ccn3)cc2)C1 ZINC000426398026 533343054 /nfs/dbraw/zinc/34/30/54/533343054.db2.gz IKQRHYXZBPAPES-KRWDZBQOSA-N 1 3 382.508 2.761 50 0 GFAAHO CCN(CC)CC(=O)N(C)CC1CC[NH+](CCc2ccccc2OC)CC1 ZINC000012579804 570683228 /nfs/dbraw/zinc/68/32/28/570683228.db2.gz KQYYCFCEZZDNNH-UHFFFAOYSA-N 1 3 375.557 2.750 50 0 GFAAHO CN(C)[C@H]1CCN(c2nccc(C3(c4ccccc4Cl)CC[NH2+]CC3)n2)C1 ZINC000072477793 208031122 /nfs/dbraw/zinc/03/11/22/208031122.db2.gz RRFUATKFLRZBIO-INIZCTEOSA-N 1 3 385.943 2.940 50 0 GFAAHO CN(CCc1ccccc1)C1(C(=O)NC2CC[NH2+]CC2)Cc2ccccc2C1 ZINC000072145065 570870927 /nfs/dbraw/zinc/87/09/27/570870927.db2.gz SOACOGNZCIPHPR-UHFFFAOYSA-N 1 3 377.532 2.567 50 0 GFAAHO CN(CCc1ccccc1)C1(C(=O)N2CCC[C@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000072151410 570873999 /nfs/dbraw/zinc/87/39/99/570873999.db2.gz ALGSQAOEDCTVPU-OAQYLSRUSA-N 1 3 391.559 2.896 50 0 GFAAHO C[N@H+](C[C@H](O)COc1ccccc1CNCCN1CCCC1)C1CCCCC1 ZINC000020254811 207185975 /nfs/dbraw/zinc/18/59/75/207185975.db2.gz FRZNUSWEXBFJBU-QFIPXVFZSA-N 1 3 389.584 2.876 50 0 GFAAHO C[N@@H+](C[C@H](O)COc1ccccc1CNCCN1CCCC1)C1CCCCC1 ZINC000020254811 207185979 /nfs/dbraw/zinc/18/59/79/207185979.db2.gz FRZNUSWEXBFJBU-QFIPXVFZSA-N 1 3 389.584 2.876 50 0 GFAAHO COc1cc(CN2CCC[C@H](N(C)CCC[NH+](C)C)C2)cc(OC)c1OC ZINC000023374956 207276748 /nfs/dbraw/zinc/27/67/48/207276748.db2.gz DQMPLFFARQDGPG-SFHVURJKSA-N 1 3 379.545 2.560 50 0 GFAAHO COc1cc(CN2CCC[C@H]([N@H+](C)CCCN(C)C)C2)cc(OC)c1OC ZINC000023374956 207276752 /nfs/dbraw/zinc/27/67/52/207276752.db2.gz DQMPLFFARQDGPG-SFHVURJKSA-N 1 3 379.545 2.560 50 0 GFAAHO COc1cc(CN2CCC[C@H]([N@@H+](C)CCCN(C)C)C2)cc(OC)c1OC ZINC000023374956 207276756 /nfs/dbraw/zinc/27/67/56/207276756.db2.gz DQMPLFFARQDGPG-SFHVURJKSA-N 1 3 379.545 2.560 50 0 GFAAHO c1cn(CC[N@@H+]2CC[C@H](c3ccccc3)C2)c(-c2cc3n(n2)CCCNC3)n1 ZINC000072480898 208031949 /nfs/dbraw/zinc/03/19/49/208031949.db2.gz IOCYSMAINRBVDY-IBGZPJMESA-N 1 3 376.508 2.729 50 0 GFAAHO c1cn(CC[N@H+]2CC[C@H](c3ccccc3)C2)c(-c2cc3n(n2)CCCNC3)n1 ZINC000072480898 208031957 /nfs/dbraw/zinc/03/19/57/208031957.db2.gz IOCYSMAINRBVDY-IBGZPJMESA-N 1 3 376.508 2.729 50 0 GFAAHO C[NH+]1CCC(CNc2cc(C(F)(F)F)nc3ncnn32)(N2CCCCC2)CC1 ZINC000095962009 208246391 /nfs/dbraw/zinc/24/63/91/208246391.db2.gz MYYLZZXSFKGYAS-UHFFFAOYSA-N 1 3 397.449 2.505 50 0 GFAAHO Cc1cc(C)c2nccc(N3CC[N@@H+](C4CCN(C)CC4)[C@H](CCO)C3)c2c1 ZINC000072463276 136171097 /nfs/dbraw/zinc/17/10/97/136171097.db2.gz MAHUNNGYNADBDL-HXUWFJFHSA-N 1 3 382.552 2.819 50 0 GFAAHO Cc1cc(C)c2nccc(N3CC[N@H+](C4CCN(C)CC4)[C@H](CCO)C3)c2c1 ZINC000072463276 136171098 /nfs/dbraw/zinc/17/10/98/136171098.db2.gz MAHUNNGYNADBDL-HXUWFJFHSA-N 1 3 382.552 2.819 50 0 GFAAHO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(c2cc(N3CCCC3)cnn2)C1 ZINC000095496965 136179606 /nfs/dbraw/zinc/17/96/06/136179606.db2.gz ZZHUPXLDFDYBEK-GOSISDBHSA-N 1 3 383.544 2.609 50 0 GFAAHO COc1ccc(C[NH2+]CCc2cccnc2)cc1OC[C@@H](O)CN1CCCCC1 ZINC000012429766 570658729 /nfs/dbraw/zinc/65/87/29/570658729.db2.gz WQEAWNLEYRYFRD-NRFANRHFSA-N 1 3 399.535 2.648 50 0 GFAAHO Cc1cc(C)n(CCCNC(=O)[C@@H]2CCCN(C3CC[NH+](C(C)C)CC3)C2)n1 ZINC000012433073 570660558 /nfs/dbraw/zinc/66/05/58/570660558.db2.gz SFOVAHJREVXFEQ-HXUWFJFHSA-N 1 3 389.588 2.591 50 0 GFAAHO O=c1c2c(ncn1Cc1cccc(C[NH+]3CCCC3)c1)sc1c2CCNC1 ZINC000065464706 570770097 /nfs/dbraw/zinc/77/00/97/570770097.db2.gz AWOZOVVVIDAPTD-UHFFFAOYSA-N 1 3 380.517 2.748 50 0 GFAAHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000195599302 231029193 /nfs/dbraw/zinc/02/91/93/231029193.db2.gz ABQUHHWTKXTADS-VXKWHMMOSA-N 1 3 382.552 2.631 50 0 GFAAHO O[C@@H](COc1ccc(C[NH2+]C2CCOCC2)cc1)CN1CCc2ccccc2C1 ZINC000020207660 207184908 /nfs/dbraw/zinc/18/49/08/207184908.db2.gz BPTDFBKZWFODQP-HSZRJFAPSA-N 1 3 396.531 2.753 50 0 GFAAHO Cc1n[nH]c(C)c1CC[NH2+]Cc1ccccc1OC[C@@H](O)CN1CCCCC1 ZINC000020452996 207194543 /nfs/dbraw/zinc/19/45/43/207194543.db2.gz OOMQAIFMYUIRTQ-FQEVSTJZSA-N 1 3 386.540 2.584 50 0 GFAAHO CC[NH+]1CCC(N2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)CC1 ZINC000022913169 207263928 /nfs/dbraw/zinc/26/39/28/207263928.db2.gz ZNMJCYUGJJLKHP-NRFANRHFSA-N 1 3 386.584 2.766 50 0 GFAAHO NCc1cn(CC2CC[NH+](Cc3ccc([C@@H]4CCCCO4)s3)CC2)nn1 ZINC000023430868 207277780 /nfs/dbraw/zinc/27/77/80/207277780.db2.gz AEOPRKZXOIGBHO-SFHVURJKSA-N 1 3 375.542 2.952 50 0 GFAAHO O=C(c1cc[nH]n1)N(CCN1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095511590 208214388 /nfs/dbraw/zinc/21/43/88/208214388.db2.gz LJGRBYZAWCVSPW-LJQANCHMSA-N 1 3 387.572 2.992 50 0 GFAAHO O=C(c1cc[nH]n1)N(CCN1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000095511590 208214394 /nfs/dbraw/zinc/21/43/94/208214394.db2.gz LJGRBYZAWCVSPW-LJQANCHMSA-N 1 3 387.572 2.992 50 0 GFAAHO O=C(c1ccn[nH]1)N(CCN1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095511590 208214399 /nfs/dbraw/zinc/21/43/99/208214399.db2.gz LJGRBYZAWCVSPW-LJQANCHMSA-N 1 3 387.572 2.992 50 0 GFAAHO O=C(c1ccn[nH]1)N(CCN1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000095511590 208214406 /nfs/dbraw/zinc/21/44/06/208214406.db2.gz LJGRBYZAWCVSPW-LJQANCHMSA-N 1 3 387.572 2.992 50 0 GFAAHO CCOC1CCN(Cc2ccc(OC[C@@H](O)C[NH+]3CCCC3)c(OC)c2)CC1 ZINC000095522060 208220569 /nfs/dbraw/zinc/22/05/69/208220569.db2.gz SXQKCZCADMKXLG-IBGZPJMESA-N 1 3 392.540 2.532 50 0 GFAAHO COc1ccc(C[N@H+](C)C2CCOCC2)cc1OC[C@H](O)CN1CCCCC1 ZINC000095525082 208223096 /nfs/dbraw/zinc/22/30/96/208223096.db2.gz RBSPHDIFBJMERX-HXUWFJFHSA-N 1 3 392.540 2.532 50 0 GFAAHO COc1ccc(C[N@@H+](C)C2CCOCC2)cc1OC[C@H](O)CN1CCCCC1 ZINC000095525082 208223102 /nfs/dbraw/zinc/22/31/02/208223102.db2.gz RBSPHDIFBJMERX-HXUWFJFHSA-N 1 3 392.540 2.532 50 0 GFAAHO O=C(CCN1CCN(c2ccccc2)CC1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000095405542 136179029 /nfs/dbraw/zinc/17/90/29/136179029.db2.gz YFDMUAGALPRNGB-UHFFFAOYSA-N 1 3 398.595 2.970 50 0 GFAAHO CCCN1CC2(C[C@@H]1C(=O)NCCc1ccc(OCC)cc1)CC[NH+](C)CC2 ZINC000072429108 211117764 /nfs/dbraw/zinc/11/77/64/211117764.db2.gz IUXNFBOJPNDKQC-OAQYLSRUSA-N 1 3 387.568 2.940 50 0 GFAAHO C[N@H+](CCc1ccccc1)C1(C(=O)NCCN2CCCC2)Cc2ccccc2C1 ZINC000072165183 211079321 /nfs/dbraw/zinc/07/93/21/211079321.db2.gz QVOVNWKETJPBRM-UHFFFAOYSA-N 1 3 391.559 2.911 50 0 GFAAHO C[N@@H+](CCc1ccccc1)C1(C(=O)NCCN2CCCC2)Cc2ccccc2C1 ZINC000072165183 211079326 /nfs/dbraw/zinc/07/93/26/211079326.db2.gz QVOVNWKETJPBRM-UHFFFAOYSA-N 1 3 391.559 2.911 50 0 GFAAHO O=C([C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)N1CC=CC1 ZINC000071589647 211049667 /nfs/dbraw/zinc/04/96/67/211049667.db2.gz GJEAYZZLDJPXLA-OAQYLSRUSA-N 1 3 379.548 2.729 50 0 GFAAHO Cc1cc(N2CCC([NH2+][C@@H](Cn3ccnc3)c3ccccc3)CC2)nc(N)n1 ZINC000095365511 136178223 /nfs/dbraw/zinc/17/82/23/136178223.db2.gz NHRGVJIUUTWBOF-IBGZPJMESA-N 1 3 377.496 2.564 50 0 GFAAHO C[N@@H+]1CCN(Cc2cccc(OCCCCN3CCOCC3)c2)CC1(C)C ZINC000216049800 570295378 /nfs/dbraw/zinc/29/53/78/570295378.db2.gz RNQPVMIHDQNRGP-UHFFFAOYSA-N 1 3 375.557 2.704 50 0 GFAAHO C[N@H+]1CCN(Cc2cccc(OCCCCN3CCOCC3)c2)CC1(C)C ZINC000216049800 570295379 /nfs/dbraw/zinc/29/53/79/570295379.db2.gz RNQPVMIHDQNRGP-UHFFFAOYSA-N 1 3 375.557 2.704 50 0 GFAAHO C[C@H](Cc1ccc(O)cc1)[NH+]1CCC(N2CCC(C(=O)NC3CC3)CC2)CC1 ZINC000011700893 570580146 /nfs/dbraw/zinc/58/01/46/570580146.db2.gz XDQZGQMYGVGZHD-QGZVFWFLSA-N 1 3 385.552 2.778 50 0 GFAAHO Cc1ccccc1C[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H](O)C3)CC2)CC1 ZINC000014959947 210132594 /nfs/dbraw/zinc/13/25/94/210132594.db2.gz YRFSGOZUBHWLPQ-HSZRJFAPSA-N 1 3 399.579 2.655 50 0 GFAAHO CC[NH+](CC)C[C@@H](O)COc1cc(CN2CCC3(CCO3)CC2)ccc1OC ZINC000095509341 211260716 /nfs/dbraw/zinc/26/07/16/211260716.db2.gz SQHILFGZBDHTPQ-LJQANCHMSA-N 1 3 392.540 2.532 50 0 GFAAHO CCCCSc1nc(N)cc(N2CCC([NH+]3CCN(CC)CC3)CC2)n1 ZINC000095374186 136178439 /nfs/dbraw/zinc/17/84/39/136178439.db2.gz VUANSIZXIUXXGD-UHFFFAOYSA-N 1 3 378.590 2.557 50 0 GFAAHO O[C@H]1[C@H](N2CCC(Oc3cccnc3)CC2)c2ccccc2C12CC[NH2+]CC2 ZINC000023153475 526316908 /nfs/dbraw/zinc/31/69/08/526316908.db2.gz IRSANVAQSLPRQB-YADHBBJMSA-N 1 3 379.504 2.662 50 0 GFAAHO CCN1CCN([C@H](C)C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3F)c2C)CC1 ZINC000048712896 570254228 /nfs/dbraw/zinc/25/42/28/570254228.db2.gz LEQXQAKXZGBTSM-OAHLLOKOSA-N 1 3 391.510 2.883 50 0 GFAAHO Cc1c2cc(C)ccc2[nH]c1CN1CC[N@@H+](C2CCN(C)CC2)[C@H](CCO)C1 ZINC000039557983 570594142 /nfs/dbraw/zinc/59/41/42/570594142.db2.gz DLZDJEJIOPDFID-HXUWFJFHSA-N 1 3 384.568 2.748 50 0 GFAAHO Cc1c2cc(C)ccc2[nH]c1CN1CC[N@H+](C2CCN(C)CC2)[C@H](CCO)C1 ZINC000039557983 570594145 /nfs/dbraw/zinc/59/41/45/570594145.db2.gz DLZDJEJIOPDFID-HXUWFJFHSA-N 1 3 384.568 2.748 50 0 GFAAHO CN(C)CCN(C)C(=O)c1cccc(OC2CC[NH+]([C@@H]3CCSC3)CC2)c1 ZINC000014979265 210138634 /nfs/dbraw/zinc/13/86/34/210138634.db2.gz XQPDMEBWCYCNIT-GOSISDBHSA-N 1 3 391.581 2.669 50 0 GFAAHO CCOC1CCN(Cc2ccc(OC[C@H](O)C[NH+]3CCCC3)c(OC)c2)CC1 ZINC000095522059 211267841 /nfs/dbraw/zinc/26/78/41/211267841.db2.gz SXQKCZCADMKXLG-LJQANCHMSA-N 1 3 392.540 2.532 50 0 GFAAHO COC1CCN(Cc2cccc(OC[C@H](O)C[NH+]3CCCCCC3)c2)CC1 ZINC000095517684 211265110 /nfs/dbraw/zinc/26/51/10/211265110.db2.gz WBQQPSNMCKBAMC-HXUWFJFHSA-N 1 3 376.541 2.913 50 0 GFAAHO CC(C)[N@H+](CCO)Cc1ccccc1OC[C@H](O)CN1CCc2ccccc2C1 ZINC000095515167 211263038 /nfs/dbraw/zinc/26/30/38/211263038.db2.gz YWOVDFZDLYUGBU-HSZRJFAPSA-N 1 3 398.547 2.687 50 0 GFAAHO CC(C)[N@@H+](CCO)Cc1ccccc1OC[C@H](O)CN1CCc2ccccc2C1 ZINC000095515167 211263042 /nfs/dbraw/zinc/26/30/42/211263042.db2.gz YWOVDFZDLYUGBU-HSZRJFAPSA-N 1 3 398.547 2.687 50 0 GFAAHO O=C(c1ncc[nH]1)N(CCN1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095506097 211257354 /nfs/dbraw/zinc/25/73/54/211257354.db2.gz ZIHIFCACTNJNFN-IBGZPJMESA-N 1 3 387.572 2.992 50 0 GFAAHO O=C(c1ncc[nH]1)N(CCN1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000095506097 211257359 /nfs/dbraw/zinc/25/73/59/211257359.db2.gz ZIHIFCACTNJNFN-IBGZPJMESA-N 1 3 387.572 2.992 50 0 GFAAHO CN(Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+][C@H]2CC[C@H](O)CC2)cc1 ZINC000244659839 570436193 /nfs/dbraw/zinc/43/61/93/570436193.db2.gz HJTZNDZNKBAPTP-VABKMULXSA-N 1 3 398.547 2.951 50 0 GFAAHO Cc1c[nH+]ccc1NCCNC(=O)N1CCC[C@H]1c1ccc(CN(C)C)cc1 ZINC000426501749 231229556 /nfs/dbraw/zinc/22/95/56/231229556.db2.gz ITMNORAAJRHGNV-NRFANRHFSA-N 1 3 381.524 2.832 50 0 GFAAHO C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(CN2CCCOCC2)cc1 ZINC000095513127 211261550 /nfs/dbraw/zinc/26/15/50/211261550.db2.gz NTQFTIAFODHMNA-JOCHJYFZSA-N 1 3 384.520 2.781 50 0 GFAAHO C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(CN2CCCOCC2)cc1 ZINC000095513127 211261555 /nfs/dbraw/zinc/26/15/55/211261555.db2.gz NTQFTIAFODHMNA-JOCHJYFZSA-N 1 3 384.520 2.781 50 0 GFAAHO CN(Cc1ccccc1)C1(C(=O)N2CC[C@@H]([NH+](C)C)C2)Cc2ccccc2C1 ZINC000039364744 570590228 /nfs/dbraw/zinc/59/02/28/570590228.db2.gz NNYVJNTWJMNAFK-JOCHJYFZSA-N 1 3 377.532 2.819 50 0 GFAAHO CSCC[NH2+]Cc1ccccc1OC[C@H](O)CN1CCc2ccccc2C1 ZINC000015076080 210151447 /nfs/dbraw/zinc/15/14/47/210151447.db2.gz LHYAZBKRVRFDKS-OAQYLSRUSA-N 1 3 386.561 2.937 50 0 GFAAHO CCc1cc(CN2CCC3(CC[NH+](CCCSC)CC3)[C@@H](CO)C2)n[nH]1 ZINC000097657148 211369755 /nfs/dbraw/zinc/36/97/55/211369755.db2.gz QTIBLYVKJYMKIL-QGZVFWFLSA-N 1 3 380.602 2.622 50 0 GFAAHO CC(C)Cc1ccc(CN2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)s1 ZINC000091770750 211205510 /nfs/dbraw/zinc/20/55/10/211205510.db2.gz SVUMLKWLTGATBS-RTBURBONSA-N 1 3 379.614 2.624 50 0 GFAAHO CC(C)Cc1ccc(CN2C[C@H](CO)[C@H](C[N@H+]3CCCN(C)CC3)C2)s1 ZINC000091770750 211205514 /nfs/dbraw/zinc/20/55/14/211205514.db2.gz SVUMLKWLTGATBS-RTBURBONSA-N 1 3 379.614 2.624 50 0 GFAAHO CCN1CCN(CCCN2CC3(CC[NH+](C4CCCCC4)CC3)OC2=O)CC1 ZINC000072434866 211120103 /nfs/dbraw/zinc/12/01/03/211120103.db2.gz QKSASXFUTIVMER-UHFFFAOYSA-N 1 3 392.588 2.634 50 0 GFAAHO COCC[NH+]1CCC(CN(Cc2ccncc2)Cc2cccc3nonc32)CC1 ZINC000055228677 570688209 /nfs/dbraw/zinc/68/82/09/570688209.db2.gz WMXGDWCWKFADTA-UHFFFAOYSA-N 1 3 395.507 2.978 50 0 GFAAHO O[C@H](COc1cccc(C[NH2+]C2CCOCC2)c1)CN1CCc2ccccc2C1 ZINC000014950927 210131310 /nfs/dbraw/zinc/13/13/10/210131310.db2.gz DUHOQBOHBJTLMU-QHCPKHFHSA-N 1 3 396.531 2.753 50 0 GFAAHO O=C(NCCF)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000082121215 211162592 /nfs/dbraw/zinc/16/25/92/211162592.db2.gz NVYOGTYDDPGXHF-UHFFFAOYSA-N 1 3 375.532 2.881 50 0 GFAAHO Cc1n[nH]c(C)c1CC[NH2+]Cc1ccccc1OC[C@H](O)CN1CCCCC1 ZINC000020452998 210336442 /nfs/dbraw/zinc/33/64/42/210336442.db2.gz OOMQAIFMYUIRTQ-HXUWFJFHSA-N 1 3 386.540 2.584 50 0 GFAAHO COCCN(C)CCN1CC2(CC[NH+](C3CCCCCCC3)CC2)OC1=O ZINC000072456929 211121754 /nfs/dbraw/zinc/12/17/54/211121754.db2.gz PWZYVPZTMZQETD-UHFFFAOYSA-N 1 3 381.561 2.964 50 0 GFAAHO Cc1ncc2c(c1CNC(=O)c1cccc(CC3CC[NH2+]CC3)c1)CCNC2 ZINC000072170114 211080890 /nfs/dbraw/zinc/08/08/90/211080890.db2.gz YIZRGICFILRZES-UHFFFAOYSA-N 1 3 378.520 2.508 50 0 GFAAHO CSCCC[NH+]1CCC(N2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071479397 211049723 /nfs/dbraw/zinc/04/97/23/211049723.db2.gz UQYYUOIGFUSRLK-LJQANCHMSA-N 1 3 390.597 2.627 50 0 GFAAHO C[C@@H]1CN(CC2CC[NH+](CCCn3c4ccccc4oc3=O)CC2)C[C@@H](C)O1 ZINC000069016720 211032532 /nfs/dbraw/zinc/03/25/32/211032532.db2.gz YXOHWNVJKLOVPI-QZTJIDSGSA-N 1 3 387.524 2.806 50 0 GFAAHO Cc1ccc2nccc(N3CC[C@H]([NH+]4CCN(C)CC4)[C@H](CCCO)C3)c2c1 ZINC000091426741 136176472 /nfs/dbraw/zinc/17/64/72/136176472.db2.gz HYGYWRMAESJNJY-KNQAVFIVSA-N 1 3 382.552 2.758 50 0 GFAAHO CN(C)CCN(C)C(=O)c1cccc(OC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000096165621 535850519 /nfs/dbraw/zinc/85/05/19/535850519.db2.gz BMEMNPAGIFLDAM-UHFFFAOYSA-N 1 3 382.508 2.763 50 0 GFAAHO CN1CCC([N@@H+]2CCN(Cc3ccc(C(F)(F)F)cc3)C[C@H]2CCO)CC1 ZINC000104349506 570257063 /nfs/dbraw/zinc/25/70/63/570257063.db2.gz BTCZTEWQZFUVRI-LJQANCHMSA-N 1 3 385.474 2.668 50 0 GFAAHO CN1CCC([N@H+]2CCN(Cc3ccc(C(F)(F)F)cc3)C[C@H]2CCO)CC1 ZINC000104349506 570257064 /nfs/dbraw/zinc/25/70/64/570257064.db2.gz BTCZTEWQZFUVRI-LJQANCHMSA-N 1 3 385.474 2.668 50 0 GFAAHO Cc1cccc(CC[NH2+]Cc2ccc(OC[C@@H](O)CN3CCCCC3)cc2)n1 ZINC000015063410 210145099 /nfs/dbraw/zinc/14/50/99/210145099.db2.gz ZGCXSCPNPNMXED-QFIPXVFZSA-N 1 3 383.536 2.948 50 0 GFAAHO COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)[C@H]2C=CC[NH2+]2)CC1 ZINC000095509765 211259969 /nfs/dbraw/zinc/25/99/69/211259969.db2.gz TYBAOUYLMRPGKZ-OAQYLSRUSA-N 1 3 385.552 2.920 50 0 GFAAHO Cc1cccc(C[NH2+][C@H]2CCc3c(sc4ncn(CCN(C)C)c(=O)c43)C2)c1 ZINC000012128230 221155740 /nfs/dbraw/zinc/15/57/40/221155740.db2.gz KHRVTKFUHFOXTM-KRWDZBQOSA-N 1 3 396.560 2.975 50 0 GFAAHO CC[NH+](CC)CCc1ccc(NC(=O)NC2CCN(CCN(C)C)CC2)cc1 ZINC000252488093 570475550 /nfs/dbraw/zinc/47/55/50/570475550.db2.gz IJIJFBRWMUWKME-UHFFFAOYSA-N 1 3 389.588 2.718 50 0 GFAAHO C[N@H+](C[C@H](O)COc1cccc(CNCCn2cccn2)c1)C1CCCCC1 ZINC000011759399 221124264 /nfs/dbraw/zinc/12/42/64/221124264.db2.gz IRKOJTUCCFIYSL-NRFANRHFSA-N 1 3 386.540 2.677 50 0 GFAAHO C[N@@H+](C[C@H](O)COc1cccc(CNCCn2cccn2)c1)C1CCCCC1 ZINC000011759399 221124267 /nfs/dbraw/zinc/12/42/67/221124267.db2.gz IRKOJTUCCFIYSL-NRFANRHFSA-N 1 3 386.540 2.677 50 0 GFAAHO CCN(CC)CC(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccccc2OC)C1 ZINC000014965957 221322333 /nfs/dbraw/zinc/32/23/33/221322333.db2.gz UULNBAZERVSAON-LJQANCHMSA-N 1 3 375.557 2.750 50 0 GFAAHO CCN(CC)CC(=O)N(C)C[C@H]1CCC[N@@H+](CCc2ccccc2OC)C1 ZINC000014965957 221322336 /nfs/dbraw/zinc/32/23/36/221322336.db2.gz UULNBAZERVSAON-LJQANCHMSA-N 1 3 375.557 2.750 50 0 GFAAHO CC(C)CCN1C(=O)N(CCN(C)C)C(=O)C12CC[NH+](CC(C)(C)C)CC2 ZINC000014733807 570857954 /nfs/dbraw/zinc/85/79/54/570857954.db2.gz VRPXZQNXEUFAJH-UHFFFAOYSA-N 1 3 380.577 2.739 50 0 GFAAHO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNCC1CC[NH+](CCO)CC1 ZINC000109071585 570996346 /nfs/dbraw/zinc/99/63/46/570996346.db2.gz MCBOBGBKEJWYAF-UHFFFAOYSA-N 1 3 394.922 2.826 50 0 GFAAHO CCN1CCN(Cc2ccc(OC[C@H](O)C[N@H+](C)Cc3ccccc3)cc2)CC1 ZINC000095509166 222340185 /nfs/dbraw/zinc/34/01/85/222340185.db2.gz JJRFDXPKJYWVSD-HSZRJFAPSA-N 1 3 397.563 2.696 50 0 GFAAHO CCN1CCN(Cc2ccc(OC[C@H](O)C[N@@H+](C)Cc3ccccc3)cc2)CC1 ZINC000095509166 222340189 /nfs/dbraw/zinc/34/01/89/222340189.db2.gz JJRFDXPKJYWVSD-HSZRJFAPSA-N 1 3 397.563 2.696 50 0 GFAAHO C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(CN2CCCOCC2)cc1 ZINC000095513126 222343047 /nfs/dbraw/zinc/34/30/47/222343047.db2.gz NTQFTIAFODHMNA-QFIPXVFZSA-N 1 3 384.520 2.781 50 0 GFAAHO C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(CN2CCCOCC2)cc1 ZINC000095513126 222343050 /nfs/dbraw/zinc/34/30/50/222343050.db2.gz NTQFTIAFODHMNA-QFIPXVFZSA-N 1 3 384.520 2.781 50 0 GFAAHO CC[C@@H]1CCCCN1CC(=O)NCc1cc2n(n1)CCC[N@H+](CC(C)C)C2 ZINC000082107903 222308428 /nfs/dbraw/zinc/30/84/28/222308428.db2.gz CIDFLLIAZMVLJX-LJQANCHMSA-N 1 3 375.561 2.626 50 0 GFAAHO CC[C@@H]1CCCCN1CC(=O)NCc1cc2n(n1)CCC[N@@H+](CC(C)C)C2 ZINC000082107903 222308431 /nfs/dbraw/zinc/30/84/31/222308431.db2.gz CIDFLLIAZMVLJX-LJQANCHMSA-N 1 3 375.561 2.626 50 0 GFAAHO CC[NH+](CC)C[C@@H](O)COc1ccc(CN2CCC3(CCO3)CC2)cc1OC ZINC000095525676 222350116 /nfs/dbraw/zinc/35/01/16/222350116.db2.gz VTBBQNKLUADUTL-LJQANCHMSA-N 1 3 392.540 2.532 50 0 GFAAHO O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@H](CN2CCCC2)C[N@H+](Cc2ccccc2)C1 ZINC000014541127 221312002 /nfs/dbraw/zinc/31/20/02/221312002.db2.gz CUTZOYUNUWEFQO-VSKRKVRLSA-N 1 3 385.552 2.516 50 0 GFAAHO O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@H](CN2CCCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000014541127 221312004 /nfs/dbraw/zinc/31/20/04/221312004.db2.gz CUTZOYUNUWEFQO-VSKRKVRLSA-N 1 3 385.552 2.516 50 0 GFAAHO CC(C)[NH+]1CCC(N2CCC[C@@H](C(=O)NCc3cn4ccsc4n3)C2)CC1 ZINC000015066932 221329618 /nfs/dbraw/zinc/32/96/18/221329618.db2.gz IHXQJMOEUVHKKQ-MRXNPFEDSA-N 1 3 389.569 2.597 50 0 GFAAHO OC[C@@]1(O)CCCN(Cc2cccc(OCCC[NH+]3CCCCC3)c2)CC1 ZINC000072165280 222215389 /nfs/dbraw/zinc/21/53/89/222215389.db2.gz ZWCAAVLARGUCDU-JOCHJYFZSA-N 1 3 376.541 2.651 50 0 GFAAHO CN1CCN(Cc2cccc(OC[C@H](O)C[NH+]3CCCCCC3)c2)CC1(C)C ZINC000095528044 222350528 /nfs/dbraw/zinc/35/05/28/222350528.db2.gz DXZQHWXAAKDIRU-OAQYLSRUSA-N 1 3 389.584 2.828 50 0 GFAAHO COc1ccc(CN(C)C2CCSCC2)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000095525843 222351789 /nfs/dbraw/zinc/35/17/89/222351789.db2.gz NVRIWTPWTWOBOB-IBGZPJMESA-N 1 3 394.581 2.858 50 0 GFAAHO COc1ccc2ccccc2c1CN1CC[N@@H+](C2CCN(C)CC2)[C@H](CCO)C1 ZINC000104493366 570259133 /nfs/dbraw/zinc/25/91/33/570259133.db2.gz IQKAIMIICRKBCD-OAQYLSRUSA-N 1 3 397.563 2.811 50 0 GFAAHO COc1ccc2ccccc2c1CN1CC[N@H+](C2CCN(C)CC2)[C@H](CCO)C1 ZINC000104493366 570259136 /nfs/dbraw/zinc/25/91/36/570259136.db2.gz IQKAIMIICRKBCD-OAQYLSRUSA-N 1 3 397.563 2.811 50 0 GFAAHO CN(C)[C@@H]1c2ccccc2C2(CC[NH+](C3CSCCSC3)CC2)[C@H]1O ZINC000020601722 570270314 /nfs/dbraw/zinc/27/03/14/570270314.db2.gz YCIIIMODDIHRCU-MOPGFXCFSA-N 1 3 378.607 2.846 50 0 GFAAHO O=C(N[C@@H]1CCOC1)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000019300431 570973974 /nfs/dbraw/zinc/97/39/74/570973974.db2.gz GKHWEMZSDQYBJR-JOCHJYFZSA-N 1 3 399.579 2.701 50 0 GFAAHO COc1ccc(CN2CCC(OC)CC2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012706770 221220130 /nfs/dbraw/zinc/22/01/30/221220130.db2.gz MHLOVTWMRJIZBV-LJQANCHMSA-N 1 3 392.540 2.532 50 0 GFAAHO O[C@@H](COc1cccc(C[NH2+]C2CCOCC2)c1)CN1CCc2ccccc2C1 ZINC000014950922 221320102 /nfs/dbraw/zinc/32/01/02/221320102.db2.gz DUHOQBOHBJTLMU-HSZRJFAPSA-N 1 3 396.531 2.753 50 0 GFAAHO Cc1cccc(N2CCC(N3CCN([C@H]4C[NH+]5CCC4CC5)CC3)CC2)c1C ZINC000065381152 136163636 /nfs/dbraw/zinc/16/36/36/136163636.db2.gz JIZCJTOSGCCLLB-DEOSSOPVSA-N 1 3 382.596 2.984 50 0 GFAAHO c1cn(C2CC[NH+](C3CCSCC3)CC2)c(-c2cc3n(n2)CCCNC3)n1 ZINC000072477855 222267141 /nfs/dbraw/zinc/26/71/41/222267141.db2.gz GQAOGHJHXCQYKG-UHFFFAOYSA-N 1 3 386.569 2.772 50 0 GFAAHO CCCN1CC2(C[C@@H]1C(=O)N(C)Cc1cccnc1Cl)CC[NH+](C)CC2 ZINC000072417945 222257579 /nfs/dbraw/zinc/25/75/79/222257579.db2.gz PNYDDUWNIOZTLC-QGZVFWFLSA-N 1 3 378.948 2.890 50 0 GFAAHO CCCOc1ccc(Cl)cc1CNC(=O)[C@@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072476588 222264879 /nfs/dbraw/zinc/26/48/79/222264879.db2.gz BJTWUGWVAMDWMY-KRWDZBQOSA-N 1 3 379.932 2.819 50 0 GFAAHO [NH3+][C@H]1CCN(C(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)C1 ZINC000095511859 222342209 /nfs/dbraw/zinc/34/22/09/222342209.db2.gz RCEKYCXINYXKIS-NRFANRHFSA-N 1 3 393.531 2.946 50 0 GFAAHO O[C@@H](COc1cccc(CN2CCCOCC2)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000095516975 222343847 /nfs/dbraw/zinc/34/38/47/222343847.db2.gz PXWDRRXCNDSTBI-HSZRJFAPSA-N 1 3 396.531 2.707 50 0 GFAAHO O[C@@H](COc1cccc(CN2CCCOCC2)c1)C[N@H+]1CCc2ccccc2C1 ZINC000095516975 222343851 /nfs/dbraw/zinc/34/38/51/222343851.db2.gz PXWDRRXCNDSTBI-HSZRJFAPSA-N 1 3 396.531 2.707 50 0 GFAAHO CCOC1CC(CNC2CC[NH+](C3CCCCC3)CC2)(N2CCOCC2)C1 ZINC000193403622 570971518 /nfs/dbraw/zinc/97/15/18/570971518.db2.gz IBQXPWPRHALEDN-UHFFFAOYSA-N 1 3 379.589 2.643 50 0 GFAAHO CCOC1CC(C[NH2+]C2CCN(C3CCCCC3)CC2)(N2CCOCC2)C1 ZINC000193403622 570971520 /nfs/dbraw/zinc/97/15/20/570971520.db2.gz IBQXPWPRHALEDN-UHFFFAOYSA-N 1 3 379.589 2.643 50 0 GFAAHO Cc1cccc(C[NH2+][C@@H]2CCc3c(sc4ncn(CCN(C)C)c(=O)c43)C2)c1 ZINC000012128236 221155996 /nfs/dbraw/zinc/15/59/96/221155996.db2.gz KHRVTKFUHFOXTM-QGZVFWFLSA-N 1 3 396.560 2.975 50 0 GFAAHO C[N@H+](C[C@@H](O)COc1ccccc1CNCCn1cccn1)C1CCCCC1 ZINC000012303354 221178570 /nfs/dbraw/zinc/17/85/70/221178570.db2.gz GGJQXMUREDHOME-OAQYLSRUSA-N 1 3 386.540 2.677 50 0 GFAAHO C[N@@H+](C[C@@H](O)COc1ccccc1CNCCn1cccn1)C1CCCCC1 ZINC000012303354 221178573 /nfs/dbraw/zinc/17/85/73/221178573.db2.gz GGJQXMUREDHOME-OAQYLSRUSA-N 1 3 386.540 2.677 50 0 GFAAHO CC(C)c1cc(CNC(=O)[C@@H]2CCCN(C3CC[NH+](C(C)C)CC3)C2)on1 ZINC000012466025 221198820 /nfs/dbraw/zinc/19/88/20/221198820.db2.gz QRGDZJUWGIPPBP-QGZVFWFLSA-N 1 3 376.545 2.999 50 0 GFAAHO CN(CCc1ccccc1)C1(C(=O)N2CC[C@@H]([NH+](C)C)C2)Cc2ccccc2C1 ZINC000012594040 221212986 /nfs/dbraw/zinc/21/29/86/221212986.db2.gz VHSPHHBISFMVBT-HSZRJFAPSA-N 1 3 391.559 2.861 50 0 GFAAHO CC(C)OCC[NH2+]Cc1cccc(OC[C@H](O)CN2CCc3ccccc3C2)c1 ZINC000014980775 221323871 /nfs/dbraw/zinc/32/38/71/221323871.db2.gz JJFGTRHDMPMKDD-HSZRJFAPSA-N 1 3 398.547 2.999 50 0 GFAAHO CC(C)[NH+]1CCC(N[C@@H]2CC[C@@H]2NC(=O)CCc2nc3ccccc3[nH]2)CC1 ZINC000072122430 222208529 /nfs/dbraw/zinc/20/85/29/222208529.db2.gz WPCFYHLVPFEGMR-UXHICEINSA-N 1 3 383.540 2.605 50 0 GFAAHO CCCN1CC2(C[C@H]1C(=O)NCCc1ccc(OCC)cc1)CC[NH+](C)CC2 ZINC000072429109 222258651 /nfs/dbraw/zinc/25/86/51/222258651.db2.gz IUXNFBOJPNDKQC-NRFANRHFSA-N 1 3 387.568 2.940 50 0 GFAAHO Oc1cccc(CN2CCC(n3ccnc3-c3cc4n(n3)CCC[NH2+]C4)CC2)c1 ZINC000072435872 222261298 /nfs/dbraw/zinc/26/12/98/222261298.db2.gz PLNYYQAJWIPFMG-UHFFFAOYSA-N 1 3 392.507 2.783 50 0 GFAAHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C4CCN(C[C@@H]5CCOC5)CC4)[C@@H]3C2)cc1 ZINC000096003166 222369468 /nfs/dbraw/zinc/36/94/68/222369468.db2.gz QDUABLWEOHMWCC-ZQRMPTRQSA-N 1 3 383.580 2.988 50 0 GFAAHO COc1ccc2ccccc2c1CN1CC[N@@H+](C2CCN(C)CC2)[C@@H](CCO)C1 ZINC000097711712 570250481 /nfs/dbraw/zinc/25/04/81/570250481.db2.gz IQKAIMIICRKBCD-NRFANRHFSA-N 1 3 397.563 2.811 50 0 GFAAHO COc1ccc2ccccc2c1CN1CC[N@H+](C2CCN(C)CC2)[C@@H](CCO)C1 ZINC000097711712 570250484 /nfs/dbraw/zinc/25/04/84/570250484.db2.gz IQKAIMIICRKBCD-NRFANRHFSA-N 1 3 397.563 2.811 50 0 GFAAHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000121899920 570261809 /nfs/dbraw/zinc/26/18/09/570261809.db2.gz LCZWWMZNRKUXDF-FQEVSTJZSA-N 1 3 379.508 2.578 50 0 GFAAHO CCCc1cc(CN(C)C(=O)[C@H]2CCC[N@@H+](C3CCN(C(C)C)CC3)C2)n[nH]1 ZINC000071761081 222194226 /nfs/dbraw/zinc/19/42/26/222194226.db2.gz ZUPSHFFVLQZLTI-SFHVURJKSA-N 1 3 389.588 2.905 50 0 GFAAHO CCCc1cc(CN(C)C(=O)[C@H]2CCC[N@H+](C3CCN(C(C)C)CC3)C2)n[nH]1 ZINC000071761081 222194230 /nfs/dbraw/zinc/19/42/30/222194230.db2.gz ZUPSHFFVLQZLTI-SFHVURJKSA-N 1 3 389.588 2.905 50 0 GFAAHO CN(Cc1ccccc1)C1(C(=O)N2CC[C@H]([NH+](C)C)C2)Cc2ccccc2C1 ZINC000039364745 570590080 /nfs/dbraw/zinc/59/00/80/570590080.db2.gz NNYVJNTWJMNAFK-QFIPXVFZSA-N 1 3 377.532 2.819 50 0 GFAAHO Cc1nn(Cc2ccccc2)c(Cl)c1CNCC1CC[NH+](CCO)CC1 ZINC000109071580 570996174 /nfs/dbraw/zinc/99/61/74/570996174.db2.gz QZBKRRMQEGWVAY-UHFFFAOYSA-N 1 3 376.932 2.687 50 0 GFAAHO O=C(NCC1CC1)[C@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000012074630 221148039 /nfs/dbraw/zinc/14/80/39/221148039.db2.gz QBAOFJWMNSSMJS-NRFANRHFSA-N 1 3 381.564 2.856 50 0 GFAAHO C[N@H+](C[C@H](O)COc1ccccc1CNC1CCOCC1)C1CCCCC1 ZINC000012301245 221177237 /nfs/dbraw/zinc/17/72/37/221177237.db2.gz FQKBDVIBYLFVPS-NRFANRHFSA-N 1 3 376.541 2.959 50 0 GFAAHO C[N@@H+](C[C@H](O)COc1ccccc1CNC1CCOCC1)C1CCCCC1 ZINC000012301245 221177240 /nfs/dbraw/zinc/17/72/40/221177240.db2.gz FQKBDVIBYLFVPS-NRFANRHFSA-N 1 3 376.541 2.959 50 0 GFAAHO Cc1cc(C)n(CCCNC(=O)[C@H]2CCCN(C3CC[NH+](C(C)C)CC3)C2)n1 ZINC000012433074 221194053 /nfs/dbraw/zinc/19/40/53/221194053.db2.gz SFOVAHJREVXFEQ-FQEVSTJZSA-N 1 3 389.588 2.591 50 0 GFAAHO COc1ccc(C[N@H+](C)C2CCOCC2)cc1OC[C@@H](O)CN1CCCCC1 ZINC000095525083 222348541 /nfs/dbraw/zinc/34/85/41/222348541.db2.gz RBSPHDIFBJMERX-FQEVSTJZSA-N 1 3 392.540 2.532 50 0 GFAAHO COc1ccc(C[N@@H+](C)C2CCOCC2)cc1OC[C@@H](O)CN1CCCCC1 ZINC000095525083 222348542 /nfs/dbraw/zinc/34/85/42/222348542.db2.gz RBSPHDIFBJMERX-FQEVSTJZSA-N 1 3 392.540 2.532 50 0 GFAAHO CC[NH+](CC)C[C@H](O)COc1ccc(CN2CCC3(CCO3)CC2)cc1OC ZINC000095525675 222351174 /nfs/dbraw/zinc/35/11/74/222351174.db2.gz VTBBQNKLUADUTL-IBGZPJMESA-N 1 3 392.540 2.532 50 0 GFAAHO [NH3+][C@@H]1CCN(C(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)C1 ZINC000095529679 222352942 /nfs/dbraw/zinc/35/29/42/222352942.db2.gz RCEKYCXINYXKIS-OAQYLSRUSA-N 1 3 393.531 2.946 50 0 GFAAHO CN1CCC([N@@H+]2CCN(Cc3ccc(-c4ccco4)cc3)C[C@H]2CCO)CC1 ZINC000106687579 570261332 /nfs/dbraw/zinc/26/13/32/570261332.db2.gz NXYQNOKTCVWXML-JOCHJYFZSA-N 1 3 383.536 2.909 50 0 GFAAHO CN1CCC([N@H+]2CCN(Cc3ccc(-c4ccco4)cc3)C[C@H]2CCO)CC1 ZINC000106687579 570261334 /nfs/dbraw/zinc/26/13/34/570261334.db2.gz NXYQNOKTCVWXML-JOCHJYFZSA-N 1 3 383.536 2.909 50 0 GFAAHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3CCCc4ccccc43)CC2)CC1 ZINC000051760577 570410157 /nfs/dbraw/zinc/41/01/57/570410157.db2.gz UCCQXSMVLOFKCZ-IBGZPJMESA-N 1 3 384.568 2.964 50 0 GFAAHO CN(Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+][C@H]2CC[C@H](O)CC2)cc1 ZINC000244659838 570436055 /nfs/dbraw/zinc/43/60/55/570436055.db2.gz HJTZNDZNKBAPTP-DNVJHFABSA-N 1 3 398.547 2.951 50 0 GFAAHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C4CCN(C[C@@H]5CCOC5)CC4)[C@H]3C2)cc1 ZINC000108386726 570987539 /nfs/dbraw/zinc/98/75/39/570987539.db2.gz QDUABLWEOHMWCC-WMIMKTLMSA-N 1 3 383.580 2.988 50 0 GFAAHO CN1CCC[N@H+](C[C@H]2C[C@H](CO)CN(Cc3cc4ccccc4s3)C2)CC1 ZINC000091650115 571022424 /nfs/dbraw/zinc/02/24/24/571022424.db2.gz PYOMFQAOQWJWRK-MOPGFXCFSA-N 1 3 387.593 2.969 50 0 GFAAHO CN1CCC[N@@H+](C[C@H]2C[C@H](CO)CN(Cc3cc4ccccc4s3)C2)CC1 ZINC000091650115 571022427 /nfs/dbraw/zinc/02/24/27/571022427.db2.gz PYOMFQAOQWJWRK-MOPGFXCFSA-N 1 3 387.593 2.969 50 0 GFAAHO CC(C)[NH+]1CCC(N2CCC[C@H](C(=O)NCc3cnc4ccccn34)C2)CC1 ZINC000012206934 221167618 /nfs/dbraw/zinc/16/76/18/221167618.db2.gz QLIGSTKVJZSKMJ-SFHVURJKSA-N 1 3 383.540 2.535 50 0 GFAAHO O=C(NC[C@H]1CCCO1)[C@@H]1C[C@H](CN2CCCC2)C[N@H+](Cc2ccccc2)C1 ZINC000014541128 221312472 /nfs/dbraw/zinc/31/24/72/221312472.db2.gz CUTZOYUNUWEFQO-YPAWHYETSA-N 1 3 385.552 2.516 50 0 GFAAHO O=C(NC[C@H]1CCCO1)[C@@H]1C[C@H](CN2CCCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000014541128 221312474 /nfs/dbraw/zinc/31/24/74/221312474.db2.gz CUTZOYUNUWEFQO-YPAWHYETSA-N 1 3 385.552 2.516 50 0 GFAAHO CCc1ncc(CN2CCC3(CC2)CC[N@H+](Cc2ccoc2)C[C@H]3CO)cn1 ZINC000097527796 570245764 /nfs/dbraw/zinc/24/57/64/570245764.db2.gz CVBPYJLKCVOCQF-FQEVSTJZSA-N 1 3 384.524 2.729 50 0 GFAAHO CCc1ncc(CN2CCC3(CC2)CC[N@@H+](Cc2ccoc2)C[C@H]3CO)cn1 ZINC000097527796 570245766 /nfs/dbraw/zinc/24/57/66/570245766.db2.gz CVBPYJLKCVOCQF-FQEVSTJZSA-N 1 3 384.524 2.729 50 0 GFAAHO O=C(CCCCCCC(=O)NCC[NH+]1CCCCC1)NCCN1CCCCC1 ZINC000005517240 570624308 /nfs/dbraw/zinc/62/43/08/570624308.db2.gz WLJDUPHTQUREGG-UHFFFAOYSA-N 1 3 394.604 2.531 50 0 GFAAHO CCn1ccc2ccc(CN3CC[C@H]([NH+]4CCN(C)CC4)[C@H](CCCO)C3)cc21 ZINC000091998081 571039445 /nfs/dbraw/zinc/03/94/45/571039445.db2.gz SLJLMJQGRSRTSP-PKTZIBPZSA-N 1 3 398.595 2.872 50 0 GFAAHO CCc1nc(C)c(CN2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)[nH]1 ZINC000011933602 204361679 /nfs/dbraw/zinc/36/16/79/204361679.db2.gz FSBKWQBSAQYLKV-GOSISDBHSA-N 1 3 389.588 2.825 50 0 GFAAHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000121900075 570261830 /nfs/dbraw/zinc/26/18/30/570261830.db2.gz LCZWWMZNRKUXDF-HXUWFJFHSA-N 1 3 379.508 2.578 50 0 GFAAHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C4CCN(C[C@H]5CCOC5)CC4)[C@H]3C2)cc1 ZINC000108386729 570987692 /nfs/dbraw/zinc/98/76/92/570987692.db2.gz QDUABLWEOHMWCC-KJBBBAAKSA-N 1 3 383.580 2.988 50 0 GFAAHO CC(C)(N)c1cn(C2CCN(C(=O)CC3CC(C)(C)[NH2+]C(C)(C)C3)CC2)nn1 ZINC000048327167 205120310 /nfs/dbraw/zinc/12/03/10/205120310.db2.gz FQXSAMGEADXHQF-UHFFFAOYSA-N 1 3 390.576 2.582 50 0 GFAAHO CC[NH+](CC)CCN1C(=O)CC[C@H]1CCNCc1cc2c(cc1Cl)OCO2 ZINC000299762712 206186317 /nfs/dbraw/zinc/18/63/17/206186317.db2.gz XBNBRFRQOBYIMF-INIZCTEOSA-N 1 3 395.931 2.881 50 0 GFAAHO Cc1cc(S(=O)(=O)N[C@H]2CC[C@H]2[NH2+]C2CCN(C(C)C)CC2)c(C)s1 ZINC000072475351 222264769 /nfs/dbraw/zinc/26/47/69/222264769.db2.gz INVNWXGMEXYPDZ-SJORKVTESA-N 1 3 385.599 2.637 50 0 GFAAHO COCC[N@H+](C)Cc1cccc(OC[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000011704083 204351197 /nfs/dbraw/zinc/35/11/97/204351197.db2.gz PPWLMXZSUDBVLL-QFIPXVFZSA-N 1 3 384.520 2.563 50 0 GFAAHO COCC[N@@H+](C)Cc1cccc(OC[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000011704083 204351202 /nfs/dbraw/zinc/35/12/02/204351202.db2.gz PPWLMXZSUDBVLL-QFIPXVFZSA-N 1 3 384.520 2.563 50 0 GFAAHO COCC[NH+]1CCC(CN(Cc2cnc(N(C)C)s2)C[C@@H]2CCCO2)CC1 ZINC000012076347 204370945 /nfs/dbraw/zinc/37/09/45/204370945.db2.gz GMLAJMZNJIIKFU-SFHVURJKSA-N 1 3 396.601 2.549 50 0 GFAAHO CSC[C@@H](C)[NH+]1CCC(N2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000012308015 204393736 /nfs/dbraw/zinc/39/37/36/204393736.db2.gz FXAOAPNMFYEQHZ-QGZVFWFLSA-N 1 3 390.597 2.626 50 0 GFAAHO CC[C@H]1CCCCN1CC(=O)NCc1cc2n(n1)CCC[N@H+](CC(C)C)C2 ZINC000082107904 205387348 /nfs/dbraw/zinc/38/73/48/205387348.db2.gz CIDFLLIAZMVLJX-IBGZPJMESA-N 1 3 375.561 2.626 50 0 GFAAHO CC[C@H]1CCCCN1CC(=O)NCc1cc2n(n1)CCC[N@@H+](CC(C)C)C2 ZINC000082107904 205387353 /nfs/dbraw/zinc/38/73/53/205387353.db2.gz CIDFLLIAZMVLJX-IBGZPJMESA-N 1 3 375.561 2.626 50 0 GFAAHO CN(C)c1ncc(CN2CCC3(CC[NH+](CC4CC4)CC3)[C@@H](CO)C2)s1 ZINC000097272415 570240513 /nfs/dbraw/zinc/24/05/13/570240513.db2.gz PQGPUYHNNSLFFO-QGZVFWFLSA-N 1 3 378.586 2.516 50 0 GFAAHO COc1ccc(CC[NH+]2CCC(CN(C)C(=O)C3CCN(C)CC3)CC2)cc1 ZINC000012704116 570699627 /nfs/dbraw/zinc/69/96/27/570699627.db2.gz CLDMLDGSLUUCFC-UHFFFAOYSA-N 1 3 387.568 2.750 50 0 GFAAHO O=C(c1cc[nH]n1)N(CCN1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095511591 571082612 /nfs/dbraw/zinc/08/26/12/571082612.db2.gz LJGRBYZAWCVSPW-IBGZPJMESA-N 1 3 387.572 2.992 50 0 GFAAHO O=C(c1cc[nH]n1)N(CCN1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000095511591 571082614 /nfs/dbraw/zinc/08/26/14/571082614.db2.gz LJGRBYZAWCVSPW-IBGZPJMESA-N 1 3 387.572 2.992 50 0 GFAAHO O=C(c1ccn[nH]1)N(CCN1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095511591 571082615 /nfs/dbraw/zinc/08/26/15/571082615.db2.gz LJGRBYZAWCVSPW-IBGZPJMESA-N 1 3 387.572 2.992 50 0 GFAAHO O=C(c1ccn[nH]1)N(CCN1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000095511591 571082617 /nfs/dbraw/zinc/08/26/17/571082617.db2.gz LJGRBYZAWCVSPW-IBGZPJMESA-N 1 3 387.572 2.992 50 0 GFAAHO COc1ccc(CNCc2ccsc2)cc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000011759709 204352329 /nfs/dbraw/zinc/35/23/29/204352329.db2.gz JUYQECHGUIWKFL-SFHVURJKSA-N 1 3 376.522 2.882 50 0 GFAAHO COCCCNCc1ccc(OC)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000011878505 204358716 /nfs/dbraw/zinc/35/87/16/204358716.db2.gz KSKMPTQHXJNEGP-FQEVSTJZSA-N 1 3 394.556 2.827 50 0 GFAAHO Cc1ccccc1C[NH+]1CCC(N2CCC(C(=O)N(C)[C@H]3CCOC3)CC2)CC1 ZINC000011879972 204360734 /nfs/dbraw/zinc/36/07/34/204360734.db2.gz RDWZIEQZTIOTSX-QHCPKHFHSA-N 1 3 399.579 2.919 50 0 GFAAHO [NH3+][C@H]1C[C@@H](c2cc(N3CCN(C4CCCCC4)CC3)nc(N3CCCC3)n2)C1 ZINC000244724406 206130308 /nfs/dbraw/zinc/13/03/08/206130308.db2.gz MTGSMGOAVYFVOG-HDICACEKSA-N 1 3 384.572 2.736 50 0 GFAAHO CC(C)N1CCC([NH+]2CCC3(CCC(=O)N(CCc4c[nH]cn4)C3)CC2)CC1 ZINC000091965564 571038098 /nfs/dbraw/zinc/03/80/98/571038098.db2.gz ZSIRBJGSXGLTGP-UHFFFAOYSA-N 1 3 387.572 2.530 50 0 GFAAHO CC(C)N1CCC([NH+]2CCC3(CCC(=O)N(CCc4cnc[nH]4)C3)CC2)CC1 ZINC000091965564 571038099 /nfs/dbraw/zinc/03/80/99/571038099.db2.gz ZSIRBJGSXGLTGP-UHFFFAOYSA-N 1 3 387.572 2.530 50 0 GFAAHO Cc1cc(C)c2nccc(N3C[C@H](CO)[C@H](C[NH+]4CCC(CO)CC4)C3)c2c1 ZINC000095369684 571060201 /nfs/dbraw/zinc/06/02/01/571060201.db2.gz BNJJXRLRTDFYPV-WOJBJXKFSA-N 1 3 383.536 2.601 50 0 GFAAHO CCOc1cc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)ccc1O ZINC000004698620 204065851 /nfs/dbraw/zinc/06/58/51/204065851.db2.gz AZXANITWMMENPY-UHFFFAOYSA-N 1 3 391.556 2.707 50 0 GFAAHO C[N@H+](CCc1ccccc1)C1(C(=O)N2[C@@H]3CC[C@H]2CNC3)Cc2ccccc2C1 ZINC000072134494 205308153 /nfs/dbraw/zinc/30/81/53/205308153.db2.gz ZVQDGFBJYHPYTB-ZRZAMGCNSA-N 1 3 389.543 2.661 50 0 GFAAHO C[N@@H+](CCc1ccccc1)C1(C(=O)N2[C@@H]3CC[C@H]2CNC3)Cc2ccccc2C1 ZINC000072134494 205308156 /nfs/dbraw/zinc/30/81/56/205308156.db2.gz ZVQDGFBJYHPYTB-ZRZAMGCNSA-N 1 3 389.543 2.661 50 0 GFAAHO COCc1nc(N[C@H]2CCCN(Cc3ccccc3)C2)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000244763814 206130515 /nfs/dbraw/zinc/13/05/15/206130515.db2.gz OVZUVGOCBLZWRA-OTWHNJEPSA-N 1 3 381.524 2.904 50 0 GFAAHO O=C(NC[C@@H]1CCCO1)C1CCN(C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000020542490 570267209 /nfs/dbraw/zinc/26/72/09/570267209.db2.gz OCFDANAKTIQXDI-QHCPKHFHSA-N 1 3 399.579 2.701 50 0 GFAAHO COCC[NH+]1CCC(CN(Cc2cccc3c2OCO3)C[C@H]2CCCO2)CC1 ZINC000014954517 570865814 /nfs/dbraw/zinc/86/58/14/570865814.db2.gz IOWUBNBXBCDSBP-HXUWFJFHSA-N 1 3 390.524 2.755 50 0 GFAAHO Cc1c[nH+]ccc1N1CCCN(C(=O)[C@@H]2CCCN(Cc3ccco3)C2)CC1 ZINC000095352501 571050093 /nfs/dbraw/zinc/05/00/93/571050093.db2.gz XBGBZSHRVNQEFO-LJQANCHMSA-N 1 3 382.508 2.934 50 0 GFAAHO COc1ccc(C[NH2+]CCCSC)cc1OC[C@H](O)CN1CCCCC1 ZINC000012112256 204372934 /nfs/dbraw/zinc/37/29/34/204372934.db2.gz FSHBQUZVZFBDIE-GOSISDBHSA-N 1 3 382.570 2.764 50 0 GFAAHO CCCc1cc(CN(C)C(=O)[C@@H]2CCC[N@@H+](C3CCN(C(C)C)CC3)C2)n[nH]1 ZINC000071761079 205293824 /nfs/dbraw/zinc/29/38/24/205293824.db2.gz ZUPSHFFVLQZLTI-GOSISDBHSA-N 1 3 389.588 2.905 50 0 GFAAHO CCCc1cc(CN(C)C(=O)[C@@H]2CCC[N@H+](C3CCN(C(C)C)CC3)C2)n[nH]1 ZINC000071761079 205293826 /nfs/dbraw/zinc/29/38/26/205293826.db2.gz ZUPSHFFVLQZLTI-GOSISDBHSA-N 1 3 389.588 2.905 50 0 GFAAHO COc1cccc(N2CCC([NH+]3CCC(n4cc(C(C)(C)N)nn4)CC3)CC2)c1 ZINC000020706796 570275210 /nfs/dbraw/zinc/27/52/10/570275210.db2.gz UXVSLSPUHPYKPA-UHFFFAOYSA-N 1 3 398.555 2.786 50 0 GFAAHO CC(C)c1cc(CNC(=O)[C@H]2CCCN(C3CC[NH+](C(C)C)CC3)C2)on1 ZINC000012466030 570671852 /nfs/dbraw/zinc/67/18/52/570671852.db2.gz QRGDZJUWGIPPBP-KRWDZBQOSA-N 1 3 376.545 2.999 50 0 GFAAHO C[NH+](C)CCN1CC2(CCC1=O)CCN(Cc1cnc(-c3ccco3)nc1)CC2 ZINC000095502467 571077083 /nfs/dbraw/zinc/07/70/83/571077083.db2.gz ZPJINWSAXOXOPR-UHFFFAOYSA-N 1 3 397.523 2.503 50 0 GFAAHO [NH3+]CC1CC[NH+](Cc2ccc(-c3nc(-c4cccnc4)cc(=O)[n-]3)cc2)CC1 ZINC000048187650 205115638 /nfs/dbraw/zinc/11/56/38/205115638.db2.gz AADQBWXRSKPEBX-UHFFFAOYSA-N 1 3 375.476 2.670 50 0 GFAAHO CN(C)c1ncc(CN2CCC3(CC[NH+](CC4CC4)CC3)[C@H](CO)C2)s1 ZINC000097272414 570240440 /nfs/dbraw/zinc/24/04/40/570240440.db2.gz PQGPUYHNNSLFFO-KRWDZBQOSA-N 1 3 378.586 2.516 50 0 GFAAHO CN(C)CCNC(=O)CCC1CC[NH+](Cc2cn(C)nc2-c2ccccc2)CC1 ZINC000012718011 570705453 /nfs/dbraw/zinc/70/54/53/570705453.db2.gz ZGUMZSFXJKWZBU-UHFFFAOYSA-N 1 3 397.567 2.757 50 0 GFAAHO CN(Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]CCn2cccn2)cc1 ZINC000012054360 204369539 /nfs/dbraw/zinc/36/95/39/204369539.db2.gz AQOPSECYUKYRBY-QFIPXVFZSA-N 1 3 394.519 2.545 50 0 GFAAHO COCC[NH+]1CCC(CN(Cc2cnc(N(C)C)s2)C[C@H]2CCCO2)CC1 ZINC000012076348 204369954 /nfs/dbraw/zinc/36/99/54/204369954.db2.gz GMLAJMZNJIIKFU-GOSISDBHSA-N 1 3 396.601 2.549 50 0 GFAAHO CCCN1CC2(C[C@@H]1C(=O)NCCc1nc(C)c(C)s1)CC[NH+](C)CC2 ZINC000072432361 205350389 /nfs/dbraw/zinc/35/03/89/205350389.db2.gz YUXRIGRRKYZZDO-QGZVFWFLSA-N 1 3 378.586 2.615 50 0 GFAAHO c1cn(CC[N@@H+]2CC[C@@H](c3ccccc3)C2)c(-c2cc3n(n2)CCCNC3)n1 ZINC000072480897 205354707 /nfs/dbraw/zinc/35/47/07/205354707.db2.gz IOCYSMAINRBVDY-LJQANCHMSA-N 1 3 376.508 2.729 50 0 GFAAHO c1cn(CC[N@H+]2CC[C@@H](c3ccccc3)C2)c(-c2cc3n(n2)CCCNC3)n1 ZINC000072480897 205354713 /nfs/dbraw/zinc/35/47/13/205354713.db2.gz IOCYSMAINRBVDY-LJQANCHMSA-N 1 3 376.508 2.729 50 0 GFAAHO OC[C@H]1CN(C2CCN(c3ccccc3F)CC2)C[C@H]1C[NH+]1CCCCC1 ZINC000091655847 136176788 /nfs/dbraw/zinc/17/67/88/136176788.db2.gz OJTBWBMFVITGRR-RTBURBONSA-N 1 3 375.532 2.821 50 0 GFAAHO CC[NH+]1CCC(N[C@@H]2CC[C@@H]2NC(=O)c2c[nH]nc2-c2cccc(F)c2)CC1 ZINC000072474492 222264270 /nfs/dbraw/zinc/26/42/70/222264270.db2.gz MFWVLRUZXQODHF-MOPGFXCFSA-N 1 3 385.487 2.551 50 0 GFAAHO COc1cc(CN2CCC[C@@H](N(C)CCC[NH+](C)C)C2)cc(OC)c1OC ZINC000023374955 570358327 /nfs/dbraw/zinc/35/83/27/570358327.db2.gz DQMPLFFARQDGPG-GOSISDBHSA-N 1 3 379.545 2.560 50 0 GFAAHO COc1cc(CN2CCC[C@@H]([N@H+](C)CCCN(C)C)C2)cc(OC)c1OC ZINC000023374955 570358330 /nfs/dbraw/zinc/35/83/30/570358330.db2.gz DQMPLFFARQDGPG-GOSISDBHSA-N 1 3 379.545 2.560 50 0 GFAAHO COc1cc(CN2CCC[C@@H]([N@@H+](C)CCCN(C)C)C2)cc(OC)c1OC ZINC000023374955 570358332 /nfs/dbraw/zinc/35/83/32/570358332.db2.gz DQMPLFFARQDGPG-GOSISDBHSA-N 1 3 379.545 2.560 50 0 GFAAHO CC(C)OCC[NH2+]Cc1cccc(OC[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000014980773 570513162 /nfs/dbraw/zinc/51/31/62/570513162.db2.gz JJFGTRHDMPMKDD-QHCPKHFHSA-N 1 3 398.547 2.999 50 0 GFAAHO CCN1CCN(Cc2ccc(OC[C@@H](O)C[N@H+](C)Cc3ccccc3)cc2)CC1 ZINC000095509167 571080265 /nfs/dbraw/zinc/08/02/65/571080265.db2.gz JJRFDXPKJYWVSD-QHCPKHFHSA-N 1 3 397.563 2.696 50 0 GFAAHO CCN1CCN(Cc2ccc(OC[C@@H](O)C[N@@H+](C)Cc3ccccc3)cc2)CC1 ZINC000095509167 571080268 /nfs/dbraw/zinc/08/02/68/571080268.db2.gz JJRFDXPKJYWVSD-QHCPKHFHSA-N 1 3 397.563 2.696 50 0 GFAAHO COc1ccc(CNC(=O)CC[C@@H]2CCCN(C3CC[NH2+]CC3)C2)c(OC)c1 ZINC000095523823 571089023 /nfs/dbraw/zinc/08/90/23/571089023.db2.gz NMRBFLBZPCFFNA-KRWDZBQOSA-N 1 3 389.540 2.564 50 0 GFAAHO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](C3CCNCC3)C2)c(OC)c1 ZINC000095523823 571089024 /nfs/dbraw/zinc/08/90/24/571089024.db2.gz NMRBFLBZPCFFNA-KRWDZBQOSA-N 1 3 389.540 2.564 50 0 GFAAHO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](C3CCNCC3)C2)c(OC)c1 ZINC000095523823 571089026 /nfs/dbraw/zinc/08/90/26/571089026.db2.gz NMRBFLBZPCFFNA-KRWDZBQOSA-N 1 3 389.540 2.564 50 0 GFAAHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N(C)C[C@@H]1CCCC[C@H]1O ZINC000241588045 231038930 /nfs/dbraw/zinc/03/89/30/231038930.db2.gz OZERHNRGFYBTHG-KAGYGMCKSA-N 1 3 387.568 2.639 50 0 GFAAHO O=C(NCCN1CCC[C@H](c2ccccc2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000426530377 231235306 /nfs/dbraw/zinc/23/53/06/231235306.db2.gz GEURJJPLQHNEHY-NRFANRHFSA-N 1 3 393.535 2.793 50 0 GFAAHO CC[NH+](CC)CCc1ccc(NC(=O)NC2CCN(CCOC)CC2)cc1 ZINC000241657618 209020008 /nfs/dbraw/zinc/02/00/08/209020008.db2.gz PXUDJBXWXZMFPE-UHFFFAOYSA-N 1 3 376.545 2.803 50 0 GFAAHO Cc1cc(N2CCC([NH2+]CC3(c4ccccc4)CCOCC3)CC2)nc(N)n1 ZINC000095371181 136178550 /nfs/dbraw/zinc/17/85/50/136178550.db2.gz NLWYAZREEKLIFN-UHFFFAOYSA-N 1 3 381.524 2.674 50 0 GFAAHO C[N@H+]1C[C@H]2[C@@H](C1)[C@@H](c1cn(-c3ccccc3)nc1-c1ccncc1)N[C@@]2(C)CO ZINC000065492366 570770454 /nfs/dbraw/zinc/77/04/54/570770454.db2.gz DLCBZSQHHUTDPC-VLSUOOLDSA-N 1 3 389.503 2.507 50 0 GFAAHO C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H](c1cn(-c3ccccc3)nc1-c1ccncc1)N[C@@]2(C)CO ZINC000065492366 570770459 /nfs/dbraw/zinc/77/04/59/570770459.db2.gz DLCBZSQHHUTDPC-VLSUOOLDSA-N 1 3 389.503 2.507 50 0 GFAAHO CC(C)c1ccc(CN2CCC[C@@](O)(C[NH+]3CCC(N(C)C)CC3)C2=O)cc1 ZINC000067726562 570788494 /nfs/dbraw/zinc/78/84/94/570788494.db2.gz HSSAHJKPKPTEBQ-HSZRJFAPSA-N 1 3 387.568 2.690 50 0 GFAAHO CSCCC[NH+]1CCC(N2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071479396 570837768 /nfs/dbraw/zinc/83/77/68/570837768.db2.gz UQYYUOIGFUSRLK-IBGZPJMESA-N 1 3 390.597 2.627 50 0 GFAAHO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000089977213 570922559 /nfs/dbraw/zinc/92/25/59/570922559.db2.gz CAZRVGSBVPONLY-SIKLNZKXSA-N 1 3 386.584 2.572 50 0 GFAAHO CC[N@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000089977213 570922563 /nfs/dbraw/zinc/92/25/63/570922563.db2.gz CAZRVGSBVPONLY-SIKLNZKXSA-N 1 3 386.584 2.572 50 0 GFAAHO OCC1CCN([C@H]2CCC[N@@H+](C3CCN(CCc4ccccc4)CC3)C2)CC1 ZINC000020534284 207200776 /nfs/dbraw/zinc/20/07/76/207200776.db2.gz MNKHJOOYNKVLOH-DEOSSOPVSA-N 1 3 385.596 2.862 50 0 GFAAHO OCC1CCN([C@H]2CCC[N@H+](C3CCN(CCc4ccccc4)CC3)C2)CC1 ZINC000020534284 207200779 /nfs/dbraw/zinc/20/07/79/207200779.db2.gz MNKHJOOYNKVLOH-DEOSSOPVSA-N 1 3 385.596 2.862 50 0 GFAAHO O=C(N[C@@H]1CC[NH2+]C1)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000095500944 208202315 /nfs/dbraw/zinc/20/23/15/208202315.db2.gz AAWJTSAONOUKKS-OAQYLSRUSA-N 1 3 393.531 2.864 50 0 GFAAHO Cc1c(C[N@@H+]2CCCN(c3ccncc3C)CC2)c2ccccc2n1CC(N)=O ZINC000065507474 570771312 /nfs/dbraw/zinc/77/13/12/570771312.db2.gz KUQJTPVFXUDDPE-UHFFFAOYSA-N 1 3 391.519 2.851 50 0 GFAAHO Cc1c(C[N@H+]2CCCN(c3ccncc3C)CC2)c2ccccc2n1CC(N)=O ZINC000065507474 570771315 /nfs/dbraw/zinc/77/13/15/570771315.db2.gz KUQJTPVFXUDDPE-UHFFFAOYSA-N 1 3 391.519 2.851 50 0 GFAAHO Cc1c(CN2CCCN(c3cc[nH+]cc3C)CC2)c2ccccc2n1CC(N)=O ZINC000065507474 570771318 /nfs/dbraw/zinc/77/13/18/570771318.db2.gz KUQJTPVFXUDDPE-UHFFFAOYSA-N 1 3 391.519 2.851 50 0 GFAAHO O=C([C@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)N1CC=CC1 ZINC000071589646 570841249 /nfs/dbraw/zinc/84/12/49/570841249.db2.gz GJEAYZZLDJPXLA-NRFANRHFSA-N 1 3 379.548 2.729 50 0 GFAAHO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000089977214 570922732 /nfs/dbraw/zinc/92/27/32/570922732.db2.gz CAZRVGSBVPONLY-UGKGYDQZSA-N 1 3 386.584 2.572 50 0 GFAAHO CC[N@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000089977214 570922735 /nfs/dbraw/zinc/92/27/35/570922735.db2.gz CAZRVGSBVPONLY-UGKGYDQZSA-N 1 3 386.584 2.572 50 0 GFAAHO Cc1c[nH+]ccc1NCCNC(=O)N1CCC[C@@H]1c1ccc(CN(C)C)cc1 ZINC000426501750 231230404 /nfs/dbraw/zinc/23/04/04/231230404.db2.gz ITMNORAAJRHGNV-OAQYLSRUSA-N 1 3 381.524 2.832 50 0 GFAAHO O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@H](C[NH+]2CCCC2)CN(CCc2ccccc2)C1 ZINC000014748959 207029685 /nfs/dbraw/zinc/02/96/85/207029685.db2.gz NNKNPPJVZBFWQP-ZLNRFVROSA-N 1 3 399.579 2.558 50 0 GFAAHO Cc1ncsc1CCNC(=O)[C@H]1CCCN(C2CC[NH+](C(C)C)CC2)C1 ZINC000019229352 207109523 /nfs/dbraw/zinc/10/95/23/207109523.db2.gz DHMCSSWTNFXDHO-KRWDZBQOSA-N 1 3 378.586 2.695 50 0 GFAAHO CCn1c(CC[NH2+]C2CCN(c3cc(C)nc(N)n3)CC2)nc2ccccc21 ZINC000095357412 136178057 /nfs/dbraw/zinc/17/80/57/136178057.db2.gz CAUJZDRXSRZQLE-UHFFFAOYSA-N 1 3 379.512 2.538 50 0 GFAAHO CCCc1cc(N2CCC(N3CCN(c4cc[nH+]cc4)CC3)CC2)nc(C)n1 ZINC000095518185 136181024 /nfs/dbraw/zinc/18/10/24/136181024.db2.gz ZKZGRJPSRNLIAH-UHFFFAOYSA-N 1 3 380.540 2.924 50 0 GFAAHO COc1ccc(C[NH2+]CCCSC)cc1OC[C@@H](O)CN1CCCCC1 ZINC000012112255 570609285 /nfs/dbraw/zinc/60/92/85/570609285.db2.gz FSHBQUZVZFBDIE-SFHVURJKSA-N 1 3 382.570 2.764 50 0 GFAAHO COc1ccc(C[NH2+]CCc2cccnc2)cc1OC[C@H](O)CN1CCCCC1 ZINC000012429767 570658626 /nfs/dbraw/zinc/65/86/26/570658626.db2.gz WQEAWNLEYRYFRD-OAQYLSRUSA-N 1 3 399.535 2.648 50 0 GFAAHO Cc1c[nH+]ccc1N1CCCN(C(=O)[C@H]2CCCN(Cc3ccco3)C2)CC1 ZINC000095352502 208157647 /nfs/dbraw/zinc/15/76/47/208157647.db2.gz XBGBZSHRVNQEFO-IBGZPJMESA-N 1 3 382.508 2.934 50 0 GFAAHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3CCCc4ccccc43)CC2)CC1 ZINC000051760580 570410545 /nfs/dbraw/zinc/41/05/45/570410545.db2.gz UCCQXSMVLOFKCZ-LJQANCHMSA-N 1 3 384.568 2.964 50 0 GFAAHO COc1ccc(C[NH2+]CCc2ccncc2)cc1OC[C@H](O)CN1CCCCC1 ZINC000020540775 207202954 /nfs/dbraw/zinc/20/29/54/207202954.db2.gz YNNXWRNMAOYCEH-OAQYLSRUSA-N 1 3 399.535 2.648 50 0 GFAAHO COc1ccc(C[NH2+]CCc2ccncc2)cc1OC[C@@H](O)CN1CCCCC1 ZINC000020540772 207203301 /nfs/dbraw/zinc/20/33/01/207203301.db2.gz YNNXWRNMAOYCEH-NRFANRHFSA-N 1 3 399.535 2.648 50 0 GFAAHO CC(C)[N@H+](CCO)Cc1ccccc1OC[C@@H](O)CN1CCc2ccccc2C1 ZINC000095515168 208213450 /nfs/dbraw/zinc/21/34/50/208213450.db2.gz YWOVDFZDLYUGBU-QHCPKHFHSA-N 1 3 398.547 2.687 50 0 GFAAHO CC(C)[N@@H+](CCO)Cc1ccccc1OC[C@@H](O)CN1CCc2ccccc2C1 ZINC000095515168 208213455 /nfs/dbraw/zinc/21/34/55/208213455.db2.gz YWOVDFZDLYUGBU-QHCPKHFHSA-N 1 3 398.547 2.687 50 0 GFAAHO COc1ccccc1C[NH+]1CCC2(CCN(Cc3c[nH]cn3)C[C@H]2CO)CC1 ZINC000097076558 208335975 /nfs/dbraw/zinc/33/59/75/208335975.db2.gz VHBIXRPFXPYENL-IBGZPJMESA-N 1 3 384.524 2.515 50 0 GFAAHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)/C=C\c1ccc(OC)c(OC)c1 ZINC000096402703 208317342 /nfs/dbraw/zinc/31/73/42/208317342.db2.gz YOXZHTWORLPQBO-LEVJEWGPSA-N 1 3 389.540 2.592 50 0 GFAAHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)/C=C\c1ccc(OC)c(OC)c1 ZINC000096402703 208317353 /nfs/dbraw/zinc/31/73/53/208317353.db2.gz YOXZHTWORLPQBO-LEVJEWGPSA-N 1 3 389.540 2.592 50 0 GFAAHO CC(=O)NC[C@H]1CCC2(CC[NH+](Cc3cc(CN4CCCC4)cs3)CC2)O1 ZINC000299767583 209083765 /nfs/dbraw/zinc/08/37/65/209083765.db2.gz LWYYIHGCWHZJDZ-LJQANCHMSA-N 1 3 391.581 2.994 50 0 GFAAHO CCN1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ccoc1 ZINC000012055869 570602636 /nfs/dbraw/zinc/60/26/36/570602636.db2.gz WOMFGZFSODPOJN-HXUWFJFHSA-N 1 3 377.529 2.565 50 0 GFAAHO C[C@@H](C[NH+](C)C)NC(=O)C1(N(C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072166002 570876471 /nfs/dbraw/zinc/87/64/71/570876471.db2.gz GVHNRKZCOJDGNH-IBGZPJMESA-N 1 3 379.548 2.765 50 0 GFAAHO CN1CCCN(c2nccc(C3(c4ccccc4Cl)CC[NH2+]CC3)n2)CC1 ZINC000072434336 208026092 /nfs/dbraw/zinc/02/60/92/208026092.db2.gz KUAWHPVZUZWAEO-UHFFFAOYSA-N 1 3 385.943 2.941 50 0 GFAAHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N(C)C[C@@H]1CCCC[C@@H]1O ZINC000095994293 208251381 /nfs/dbraw/zinc/25/13/81/208251381.db2.gz OZERHNRGFYBTHG-CBQOVEMMSA-N 1 3 387.568 2.639 50 0 GFAAHO CC[NH+]1CCC(N[C@H]2C[C@@H](C(=O)NC(C)C)N(C/C=C/c3ccccc3)C2)CC1 ZINC000299764437 209084634 /nfs/dbraw/zinc/08/46/34/209084634.db2.gz WGTFFOWMWTXCOY-GZWJZLGDSA-N 1 3 398.595 2.741 50 0 GFAAHO c1ccc(C[N@@H+]2CC[C@@H](Nc3nc(-c4cccnc4)nc4c3CCNC4)C2)cc1 ZINC000067756061 570789779 /nfs/dbraw/zinc/78/97/79/570789779.db2.gz VWGFECMCMZNOTD-LJQANCHMSA-N 1 3 386.503 2.871 50 0 GFAAHO c1ccc(C[N@H+]2CC[C@@H](Nc3nc(-c4cccnc4)nc4c3CCNC4)C2)cc1 ZINC000067756061 570789780 /nfs/dbraw/zinc/78/97/80/570789780.db2.gz VWGFECMCMZNOTD-LJQANCHMSA-N 1 3 386.503 2.871 50 0 GFAAHO Cc1nccn1CCC[NH2+]Cc1ccc(OC[C@@H](O)CN2CCCCC2)cc1 ZINC000019222850 207107692 /nfs/dbraw/zinc/10/76/92/207107692.db2.gz QAADKHMLXWUBDT-NRFANRHFSA-N 1 3 386.540 2.597 50 0 GFAAHO Cc1cccc(CC[NH2+]Cc2ccc(OC[C@H](O)CN3CCCCC3)cc2)n1 ZINC000015063411 221327974 /nfs/dbraw/zinc/32/79/74/221327974.db2.gz ZGCXSCPNPNMXED-JOCHJYFZSA-N 1 3 383.536 2.948 50 0 GFAAHO OC[C@H]1C[N@@H+](C2CCN(c3cccc(Cl)c3)CC2)C[C@H]1CN1CCCC1 ZINC000091873356 136177184 /nfs/dbraw/zinc/17/71/84/136177184.db2.gz MAWCNJWJATUTLU-QZTJIDSGSA-N 1 3 377.960 2.945 50 0 GFAAHO OC[C@H]1C[N@H+](C2CCN(c3cccc(Cl)c3)CC2)C[C@H]1CN1CCCC1 ZINC000091873356 136177185 /nfs/dbraw/zinc/17/71/85/136177185.db2.gz MAWCNJWJATUTLU-QZTJIDSGSA-N 1 3 377.960 2.945 50 0 GFAAHO OC[C@H]1CN(C2CCN(c3cccc(Cl)c3)CC2)C[C@H]1C[NH+]1CCCC1 ZINC000091873356 136177186 /nfs/dbraw/zinc/17/71/86/136177186.db2.gz MAWCNJWJATUTLU-QZTJIDSGSA-N 1 3 377.960 2.945 50 0 GFAAHO CCc1nc(C)c(CN2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)[nH]1 ZINC000011933601 570593036 /nfs/dbraw/zinc/59/30/36/570593036.db2.gz FSBKWQBSAQYLKV-SFHVURJKSA-N 1 3 389.588 2.825 50 0 GFAAHO CC[NH+](CC)C[C@@H](O)COc1ccc(CNCCc2cscn2)cc1OC ZINC000012468020 570671783 /nfs/dbraw/zinc/67/17/83/570671783.db2.gz UCGXTRUZRRJRFG-GOSISDBHSA-N 1 3 393.553 2.566 50 0 GFAAHO CN(CCc1ccccc1)C1(C(=O)N2CC[C@H]([NH+](C)C)C2)Cc2ccccc2C1 ZINC000012594043 570688840 /nfs/dbraw/zinc/68/88/40/570688840.db2.gz VHSPHHBISFMVBT-QHCPKHFHSA-N 1 3 391.559 2.861 50 0 GFAAHO CCCCN1CCN(c2ccc(C(=O)NCC[C@H]3CCCC[N@@H+]3C)cn2)CC1 ZINC000012712703 570703321 /nfs/dbraw/zinc/70/33/21/570703321.db2.gz VIZIPQPTOLUFHF-HXUWFJFHSA-N 1 3 387.572 2.608 50 0 GFAAHO CCCCN1CCN(c2ccc(C(=O)NCC[C@H]3CCCC[N@H+]3C)cn2)CC1 ZINC000012712703 570703323 /nfs/dbraw/zinc/70/33/23/570703323.db2.gz VIZIPQPTOLUFHF-HXUWFJFHSA-N 1 3 387.572 2.608 50 0 GFAAHO CC(C)N1CCN(Cc2cccc(OC[C@H](O)C[NH+]3CCCCCC3)c2)CC1 ZINC000095520563 208220351 /nfs/dbraw/zinc/22/03/51/208220351.db2.gz FZGRMCXUOJLEAI-JOCHJYFZSA-N 1 3 389.584 2.828 50 0 GFAAHO Cc1ccc(-c2cc(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)[nH]n2)cc1C ZINC000189195311 570747185 /nfs/dbraw/zinc/74/71/85/570747185.db2.gz RZSOAINKXCCTQA-UHFFFAOYSA-N 1 3 395.551 2.982 50 0 GFAAHO C[N@H+](C[C@@H](O)COc1cccc(CNCCn2cccn2)c1)C1CCCCC1 ZINC000011759409 570581445 /nfs/dbraw/zinc/58/14/45/570581445.db2.gz IRKOJTUCCFIYSL-OAQYLSRUSA-N 1 3 386.540 2.677 50 0 GFAAHO C[N@@H+](C[C@@H](O)COc1cccc(CNCCn2cccn2)c1)C1CCCCC1 ZINC000011759409 570581448 /nfs/dbraw/zinc/58/14/48/570581448.db2.gz IRKOJTUCCFIYSL-OAQYLSRUSA-N 1 3 386.540 2.677 50 0 GFAAHO O[C@H](COc1ccc(CN2CCCOCC2)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000096149999 211310189 /nfs/dbraw/zinc/31/01/89/211310189.db2.gz PVCRMHCRJZSQCY-QHCPKHFHSA-N 1 3 396.531 2.707 50 0 GFAAHO O[C@H](COc1ccc(CN2CCCOCC2)cc1)C[N@H+]1CCc2ccccc2C1 ZINC000096149999 211310190 /nfs/dbraw/zinc/31/01/90/211310190.db2.gz PVCRMHCRJZSQCY-QHCPKHFHSA-N 1 3 396.531 2.707 50 0 GFAAHO O[C@H](COc1ccc(C[NH2+]C2CCOCC2)cc1)CN1CCc2ccccc2C1 ZINC000020207664 210321550 /nfs/dbraw/zinc/32/15/50/210321550.db2.gz BPTDFBKZWFODQP-QHCPKHFHSA-N 1 3 396.531 2.753 50 0 GFAAHO Cc1nc(C)c(CN2CCC3(CC2)c2ccccc2[C@@H]([NH+](C)C)[C@@H]3O)nc1C ZINC000019771142 210295267 /nfs/dbraw/zinc/29/52/67/210295267.db2.gz JRWDAOQXNUXGGP-YADHBBJMSA-N 1 3 380.536 2.913 50 0 GFAAHO COc1ccc(C(=O)NCCN(C)C)cc1OC1CC[NH+](C2CCCC2)CC1 ZINC000095502713 211254932 /nfs/dbraw/zinc/25/49/32/211254932.db2.gz OYJAQNSOZZRZNH-UHFFFAOYSA-N 1 3 389.540 2.772 50 0 GFAAHO CN(C)[C@@H]1CCN(c2nccc(C3(c4ccccc4Cl)CC[NH2+]CC3)n2)C1 ZINC000072477792 211124613 /nfs/dbraw/zinc/12/46/13/211124613.db2.gz RRFUATKFLRZBIO-MRXNPFEDSA-N 1 3 385.943 2.940 50 0 GFAAHO OC[C@]1(O)CCCN(Cc2cccc(OCCC[NH+]3CCCCC3)c2)CC1 ZINC000072165281 211079973 /nfs/dbraw/zinc/07/99/73/211079973.db2.gz ZWCAAVLARGUCDU-QFIPXVFZSA-N 1 3 376.541 2.651 50 0 GFAAHO COc1ccc(CN2CC[N@@H+](C3CCN(C)CC3)[C@@H](CCO)C2)c2ccccc12 ZINC000020449536 210336364 /nfs/dbraw/zinc/33/63/64/210336364.db2.gz OSDJREWNPVEZGY-NRFANRHFSA-N 1 3 397.563 2.811 50 0 GFAAHO COc1ccc(CN2CC[N@H+](C3CCN(C)CC3)[C@@H](CCO)C2)c2ccccc12 ZINC000020449536 210336369 /nfs/dbraw/zinc/33/63/69/210336369.db2.gz OSDJREWNPVEZGY-NRFANRHFSA-N 1 3 397.563 2.811 50 0 GFAAHO COc1ccc(CN2CCN(C3CC[NH+](C)CC3)[C@@H](CCO)C2)c2ccccc12 ZINC000020449536 210336370 /nfs/dbraw/zinc/33/63/70/210336370.db2.gz OSDJREWNPVEZGY-NRFANRHFSA-N 1 3 397.563 2.811 50 0 GFAAHO C[N@H+](C[C@H](O)COc1ccccc1CNCCn1cccn1)C1CCCCC1 ZINC000012303355 570637246 /nfs/dbraw/zinc/63/72/46/570637246.db2.gz GGJQXMUREDHOME-NRFANRHFSA-N 1 3 386.540 2.677 50 0 GFAAHO C[N@@H+](C[C@H](O)COc1ccccc1CNCCn1cccn1)C1CCCCC1 ZINC000012303355 570637247 /nfs/dbraw/zinc/63/72/47/570637247.db2.gz GGJQXMUREDHOME-NRFANRHFSA-N 1 3 386.540 2.677 50 0 GFAAHO O=C([C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)N1CCCC1 ZINC000012577280 570682958 /nfs/dbraw/zinc/68/29/58/570682958.db2.gz SLIWDDHRLAWZQG-OAQYLSRUSA-N 1 3 381.564 2.953 50 0 GFAAHO COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)[C@@H]2C=CC[NH2+]2)CC1 ZINC000095509764 211258997 /nfs/dbraw/zinc/25/89/97/211258997.db2.gz TYBAOUYLMRPGKZ-NRFANRHFSA-N 1 3 385.552 2.920 50 0 GFAAHO COCc1nc(NC2CCN(Cc3ccccc3)CC2)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000244774095 570696373 /nfs/dbraw/zinc/69/63/73/570696373.db2.gz PNUKMJYIBLULQP-HDICACEKSA-N 1 3 381.524 2.904 50 0 GFAAHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N(C)C[C@H]1CCCC[C@@H]1O ZINC000241588047 231038787 /nfs/dbraw/zinc/03/87/87/231038787.db2.gz OZERHNRGFYBTHG-UZKOGDIHSA-N 1 3 387.568 2.639 50 0 GFAAHO CCc1ncc(CN2CCC3(CC2)CC[N@H+](Cc2ccoc2)C[C@@H]3CO)cn1 ZINC000097527795 211367020 /nfs/dbraw/zinc/36/70/20/211367020.db2.gz CVBPYJLKCVOCQF-HXUWFJFHSA-N 1 3 384.524 2.729 50 0 GFAAHO CCc1ncc(CN2CCC3(CC2)CC[N@@H+](Cc2ccoc2)C[C@@H]3CO)cn1 ZINC000097527795 211367023 /nfs/dbraw/zinc/36/70/23/211367023.db2.gz CVBPYJLKCVOCQF-HXUWFJFHSA-N 1 3 384.524 2.729 50 0 GFAAHO Nc1ncccc1CN1CCC2(CC1)CC[N@H+](Cc1ccccc1)C[C@@H]2CO ZINC000097179405 211363019 /nfs/dbraw/zinc/36/30/19/211363019.db2.gz NVEQHRHIDLDHGI-OAQYLSRUSA-N 1 3 380.536 2.760 50 0 GFAAHO Nc1ncccc1CN1CCC2(CC1)CC[N@@H+](Cc1ccccc1)C[C@@H]2CO ZINC000097179405 211363023 /nfs/dbraw/zinc/36/30/23/211363023.db2.gz NVEQHRHIDLDHGI-OAQYLSRUSA-N 1 3 380.536 2.760 50 0 GFAAHO O=C(CC[C@@H]1CCC[N@H+](C2CCNCC2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000095505589 211257196 /nfs/dbraw/zinc/25/71/96/211257196.db2.gz YBDSJGGBWKNYNH-QFIPXVFZSA-N 1 3 398.595 2.575 50 0 GFAAHO O=C(CC[C@@H]1CCCN(C2CC[NH2+]CC2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000095505589 211257187 /nfs/dbraw/zinc/25/71/87/211257187.db2.gz YBDSJGGBWKNYNH-QFIPXVFZSA-N 1 3 398.595 2.575 50 0 GFAAHO O=C(CC[C@@H]1CCC[N@@H+](C2CCNCC2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000095505589 211257192 /nfs/dbraw/zinc/25/71/92/211257192.db2.gz YBDSJGGBWKNYNH-QFIPXVFZSA-N 1 3 398.595 2.575 50 0 GFAAHO CC(C)C[N@@H+]1CCCn2nc(CNC(=O)CN3CCCCCCC3)cc2C1 ZINC000082133715 211161139 /nfs/dbraw/zinc/16/11/39/211161139.db2.gz VIMNSCRPGWPHFY-UHFFFAOYSA-N 1 3 375.561 2.627 50 0 GFAAHO CC(C)C[N@H+]1CCCn2nc(CNC(=O)CN3CCCCCCC3)cc2C1 ZINC000082133715 211161142 /nfs/dbraw/zinc/16/11/42/211161142.db2.gz VIMNSCRPGWPHFY-UHFFFAOYSA-N 1 3 375.561 2.627 50 0 GFAAHO CCN(CC)Cc1cnc2c(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)cnn2c1 ZINC000067726502 211019729 /nfs/dbraw/zinc/01/97/29/211019729.db2.gz MAVDHMUOJPWBND-UHFFFAOYSA-N 1 3 386.544 2.610 50 0 GFAAHO CN1CCC([N@@H+]2CCN(Cc3ccc(-c4ccco4)cc3)C[C@@H]2CCO)CC1 ZINC000067513593 211011568 /nfs/dbraw/zinc/01/15/68/211011568.db2.gz NXYQNOKTCVWXML-QFIPXVFZSA-N 1 3 383.536 2.909 50 0 GFAAHO CN1CCC([N@H+]2CCN(Cc3ccc(-c4ccco4)cc3)C[C@@H]2CCO)CC1 ZINC000067513593 211011571 /nfs/dbraw/zinc/01/15/71/211011571.db2.gz NXYQNOKTCVWXML-QFIPXVFZSA-N 1 3 383.536 2.909 50 0 GFAAHO CCN1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ccoc1 ZINC000012055874 570602621 /nfs/dbraw/zinc/60/26/21/570602621.db2.gz WOMFGZFSODPOJN-FQEVSTJZSA-N 1 3 377.529 2.565 50 0 GFAAHO COCC[N@H+](CC1CCN(Cc2ccccc2OC)CC1)C1CCN(C)CC1 ZINC000015068562 210147377 /nfs/dbraw/zinc/14/73/77/210147377.db2.gz VGBNGNITYAUPKU-UHFFFAOYSA-N 1 3 389.584 2.950 50 0 GFAAHO COCC[N@@H+](CC1CCN(Cc2ccccc2OC)CC1)C1CCN(C)CC1 ZINC000015068562 210147382 /nfs/dbraw/zinc/14/73/82/210147382.db2.gz VGBNGNITYAUPKU-UHFFFAOYSA-N 1 3 389.584 2.950 50 0 GFAAHO COc1cc(CN2CCC3(CCO3)CC2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000095509647 211260158 /nfs/dbraw/zinc/26/01/58/211260158.db2.gz KMZFSWLLLFSRCJ-LJQANCHMSA-N 1 3 392.540 2.530 50 0 GFAAHO COc1cc(CN2CCC3(CCO3)CC2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000095509647 211260163 /nfs/dbraw/zinc/26/01/63/211260163.db2.gz KMZFSWLLLFSRCJ-LJQANCHMSA-N 1 3 392.540 2.530 50 0 GFAAHO COc1cc(C[N@H+](C)C2CCSCC2)ccc1OC[C@H](O)CN1CCCC1 ZINC000095504020 211256200 /nfs/dbraw/zinc/25/62/00/211256200.db2.gz BUADFYDOYUCOPI-LJQANCHMSA-N 1 3 394.581 2.858 50 0 GFAAHO COc1cc(C[N@@H+](C)C2CCSCC2)ccc1OC[C@H](O)CN1CCCC1 ZINC000095504020 211256203 /nfs/dbraw/zinc/25/62/03/211256203.db2.gz BUADFYDOYUCOPI-LJQANCHMSA-N 1 3 394.581 2.858 50 0 GFAAHO C[C@H](C[NH+](C)C)NC(=O)C1(N(C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072166003 211080649 /nfs/dbraw/zinc/08/06/49/211080649.db2.gz GVHNRKZCOJDGNH-LJQANCHMSA-N 1 3 379.548 2.765 50 0 GFAAHO O=C(c1ccc(C[C@H]2CCC[NH2+]C2)cc1)N1CCCN(c2ccncc2)CC1 ZINC000072132099 211074208 /nfs/dbraw/zinc/07/42/08/211074208.db2.gz AWCBMUSMOBZXJJ-HXUWFJFHSA-N 1 3 378.520 2.976 50 0 GFAAHO O=C(NC[C@H]1CCCO1)C1CCN(C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000020542494 210346394 /nfs/dbraw/zinc/34/63/94/210346394.db2.gz OCFDANAKTIQXDI-HSZRJFAPSA-N 1 3 399.579 2.701 50 0 GFAAHO COCCN1CCC(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)C2CCCC2)C3)CC1 ZINC000067821277 211022839 /nfs/dbraw/zinc/02/28/39/211022839.db2.gz BLBWGMUPVSWZFD-HSZRJFAPSA-N 1 3 391.600 2.850 50 0 GFAAHO COCCN1CCC(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)C2CCCC2)C3)CC1 ZINC000067821277 211022842 /nfs/dbraw/zinc/02/28/42/211022842.db2.gz BLBWGMUPVSWZFD-HSZRJFAPSA-N 1 3 391.600 2.850 50 0 GFAAHO COc1ccc(CN(C)C2CCSCC2)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000095525842 211272415 /nfs/dbraw/zinc/27/24/15/211272415.db2.gz NVRIWTPWTWOBOB-LJQANCHMSA-N 1 3 394.581 2.858 50 0 GFAAHO C[N@H+](CCCN1CC2(CCN([C@@H]3CCOC3)CC2)OC1=O)C1CCCCC1 ZINC000072425002 211115576 /nfs/dbraw/zinc/11/55/76/211115576.db2.gz JLTLHNWHBWCODV-LJQANCHMSA-N 1 3 379.545 2.717 50 0 GFAAHO C[N@@H+](CCCN1CC2(CCN([C@@H]3CCOC3)CC2)OC1=O)C1CCCCC1 ZINC000072425002 211115581 /nfs/dbraw/zinc/11/55/81/211115581.db2.gz JLTLHNWHBWCODV-LJQANCHMSA-N 1 3 379.545 2.717 50 0 GFAAHO CCCN1CC2(C[C@@H]1C(=O)N(C)Cc1cc(C(C)C)no1)CC[NH+](C)CC2 ZINC000072479890 211124797 /nfs/dbraw/zinc/12/47/97/211124797.db2.gz SLCJWCTWJOAFBV-LJQANCHMSA-N 1 3 376.545 2.953 50 0 GFAAHO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(c4cc(C)nc(N)n4)C3)C2)c1OC ZINC000072143126 211077006 /nfs/dbraw/zinc/07/70/06/211077006.db2.gz YQZQCLNUFALWCM-JOCHJYFZSA-N 1 3 397.523 2.877 50 0 GFAAHO COc1cccc(C[N@H+]2CCC[C@@]3(CCN(c4cc(C)nc(N)n4)C3)C2)c1OC ZINC000072143126 211077009 /nfs/dbraw/zinc/07/70/09/211077009.db2.gz YQZQCLNUFALWCM-JOCHJYFZSA-N 1 3 397.523 2.877 50 0 GFAAHO COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1C[NH2+]C1CCN(C(C)C)CC1 ZINC000071775941 211061720 /nfs/dbraw/zinc/06/17/20/211061720.db2.gz SUHWGTZIQIEXGN-UHFFFAOYSA-N 1 3 386.540 2.951 50 0 GFAAHO Cc1cc(C)nc(CCNCc2ccccc2OC[C@H](O)C[NH+]2CCCCC2)n1 ZINC000011933126 221137373 /nfs/dbraw/zinc/13/73/73/221137373.db2.gz MGPISHDIVLMNNS-OAQYLSRUSA-N 1 3 398.551 2.651 50 0 GFAAHO CN(C)CCOC(=O)CC12CC3CC(C1)CC(CC(=O)OCC[NH+](C)C)(C3)C2 ZINC000004031868 570355289 /nfs/dbraw/zinc/35/52/89/570355289.db2.gz ZTJPLOSZPXAFPI-UHFFFAOYSA-N 1 3 394.556 2.563 50 0 GFAAHO COc1cc(CNCCSC)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000011842586 570438019 /nfs/dbraw/zinc/43/80/19/570438019.db2.gz HZVXPOCVBWBRDZ-SFHVURJKSA-N 1 3 382.570 2.764 50 0 GFAAHO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2ccc3nonc3c2)CC1 ZINC000012196976 570623728 /nfs/dbraw/zinc/62/37/28/570623728.db2.gz VFJODCBPFQWQRP-IBGZPJMESA-N 1 3 399.539 2.816 50 0 GFAAHO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2ccc3nonc3c2)CC1 ZINC000012196976 570623732 /nfs/dbraw/zinc/62/37/32/570623732.db2.gz VFJODCBPFQWQRP-IBGZPJMESA-N 1 3 399.539 2.816 50 0 GFAAHO O[C@@H](COc1ccccc1CNCCCOc1cccnc1)C[NH+]1CCCCC1 ZINC000012431981 570660186 /nfs/dbraw/zinc/66/01/86/570660186.db2.gz MKQCESACJKCKPN-OAQYLSRUSA-N 1 3 399.535 2.866 50 0 GFAAHO O=C([C@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)N1CCCC1 ZINC000012577287 570682937 /nfs/dbraw/zinc/68/29/37/570682937.db2.gz SLIWDDHRLAWZQG-NRFANRHFSA-N 1 3 381.564 2.953 50 0 GFAAHO Cc1ccccc1C[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H](O)C3)CC2)CC1 ZINC000014959951 221320262 /nfs/dbraw/zinc/32/02/62/221320262.db2.gz YRFSGOZUBHWLPQ-QHCPKHFHSA-N 1 3 399.579 2.655 50 0 GFAAHO CC(C)[NH+]1CCC(N2CCC[C@H](C(=O)NCc3cn4ccsc4n3)C2)CC1 ZINC000015066935 221330257 /nfs/dbraw/zinc/33/02/57/221330257.db2.gz IHXQJMOEUVHKKQ-INIZCTEOSA-N 1 3 389.569 2.597 50 0 GFAAHO Cc1cc(N2CCC([N@H+](C)Cc3cc(-c4ccccc4)n[nH]3)CC2)nc(N)n1 ZINC000095363733 136178039 /nfs/dbraw/zinc/17/80/39/136178039.db2.gz PZVZMYYZANYINB-UHFFFAOYSA-N 1 3 377.496 2.858 50 0 GFAAHO Cc1cc(N2CCC([N@@H+](C)Cc3cc(-c4ccccc4)n[nH]3)CC2)nc(N)n1 ZINC000095363733 136178040 /nfs/dbraw/zinc/17/80/40/136178040.db2.gz PZVZMYYZANYINB-UHFFFAOYSA-N 1 3 377.496 2.858 50 0 GFAAHO COc1cc(C[N@H+](C)C2CCSCC2)ccc1OC[C@@H](O)CN1CCCC1 ZINC000095504021 222336166 /nfs/dbraw/zinc/33/61/66/222336166.db2.gz BUADFYDOYUCOPI-IBGZPJMESA-N 1 3 394.581 2.858 50 0 GFAAHO COc1cc(C[N@@H+](C)C2CCSCC2)ccc1OC[C@@H](O)CN1CCCC1 ZINC000095504021 222336169 /nfs/dbraw/zinc/33/61/69/222336169.db2.gz BUADFYDOYUCOPI-IBGZPJMESA-N 1 3 394.581 2.858 50 0 GFAAHO O[C@H](COc1cccc(CN2CCCOCC2)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000095516974 222343543 /nfs/dbraw/zinc/34/35/43/222343543.db2.gz PXWDRRXCNDSTBI-QHCPKHFHSA-N 1 3 396.531 2.707 50 0 GFAAHO O[C@H](COc1cccc(CN2CCCOCC2)c1)C[N@H+]1CCc2ccccc2C1 ZINC000095516974 222343546 /nfs/dbraw/zinc/34/35/46/222343546.db2.gz PXWDRRXCNDSTBI-QHCPKHFHSA-N 1 3 396.531 2.707 50 0 GFAAHO OCc1cc(N2CCC3(CC2)c2ccccc2[C@@H]([NH+]2CCCC2)[C@@H]3O)ccn1 ZINC000019800230 570220279 /nfs/dbraw/zinc/22/02/79/570220279.db2.gz MYLIAAJETWPJRI-YADHBBJMSA-N 1 3 379.504 2.624 50 0 GFAAHO COc1ccccc1C[NH+]1CCC2(CCN(Cc3c[nH]cn3)C[C@@H]2CO)CC1 ZINC000097076555 570235813 /nfs/dbraw/zinc/23/58/13/570235813.db2.gz VHBIXRPFXPYENL-LJQANCHMSA-N 1 3 384.524 2.515 50 0 GFAAHO COCC[NH+]1CCC(CN(Cc2cccc3c2OCO3)C[C@@H]2CCCO2)CC1 ZINC000014954513 221320826 /nfs/dbraw/zinc/32/08/26/221320826.db2.gz IOWUBNBXBCDSBP-FQEVSTJZSA-N 1 3 390.524 2.755 50 0 GFAAHO CN(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@@H](N)Cc1ccc(O)cc1 ZINC000077426096 222281300 /nfs/dbraw/zinc/28/13/00/222281300.db2.gz AFYMSMPIUOWYJF-QFIPXVFZSA-N 1 3 381.520 2.633 50 0 GFAAHO CC(C)N1CCN(Cc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)CC1 ZINC000095520564 222346531 /nfs/dbraw/zinc/34/65/31/222346531.db2.gz FZGRMCXUOJLEAI-QFIPXVFZSA-N 1 3 389.584 2.828 50 0 GFAAHO CCc1ccc(CN2CCC3(CC2)CC[N@@H+](C2CCOCC2)C[C@@H]3CO)nc1 ZINC000097578989 570247139 /nfs/dbraw/zinc/24/71/39/570247139.db2.gz SGFBFFAIPHUYJZ-HXUWFJFHSA-N 1 3 387.568 2.719 50 0 GFAAHO CCc1ccc(CN2CCC3(CC2)CC[N@H+](C2CCOCC2)C[C@@H]3CO)nc1 ZINC000097578989 570247141 /nfs/dbraw/zinc/24/71/41/570247141.db2.gz SGFBFFAIPHUYJZ-HXUWFJFHSA-N 1 3 387.568 2.719 50 0 GFAAHO CSCCC[NH+]1CCC(N2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000020454577 570258228 /nfs/dbraw/zinc/25/82/28/570258228.db2.gz DLLMZVTUVYRSGA-UHFFFAOYSA-N 1 3 390.597 2.627 50 0 GFAAHO O=C(N[C@H]1CCOC1)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000019300433 570974141 /nfs/dbraw/zinc/97/41/41/570974141.db2.gz GKHWEMZSDQYBJR-QFIPXVFZSA-N 1 3 399.579 2.701 50 0 GFAAHO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000107509017 570974208 /nfs/dbraw/zinc/97/42/08/570974208.db2.gz CAZRVGSBVPONLY-DENIHFKCSA-N 1 3 386.584 2.572 50 0 GFAAHO CC[N@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000107509017 570974209 /nfs/dbraw/zinc/97/42/09/570974209.db2.gz CAZRVGSBVPONLY-DENIHFKCSA-N 1 3 386.584 2.572 50 0 GFAAHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C4CCN(C[C@H]5CCOC5)CC4)[C@@H]3C2)cc1 ZINC000252512397 570982350 /nfs/dbraw/zinc/98/23/50/570982350.db2.gz QDUABLWEOHMWCC-JSRBNTPPSA-N 1 3 383.580 2.988 50 0 GFAAHO C[N@H+](C[C@@H](O)COc1ccccc1CNC1CCOCC1)C1CCCCC1 ZINC000012301242 221178145 /nfs/dbraw/zinc/17/81/45/221178145.db2.gz FQKBDVIBYLFVPS-OAQYLSRUSA-N 1 3 376.541 2.959 50 0 GFAAHO C[N@@H+](C[C@@H](O)COc1ccccc1CNC1CCOCC1)C1CCCCC1 ZINC000012301242 221178147 /nfs/dbraw/zinc/17/81/47/221178147.db2.gz FQKBDVIBYLFVPS-OAQYLSRUSA-N 1 3 376.541 2.959 50 0 GFAAHO COCC[N@H+](C[C@@H]1CCOC1)CC1CCN(Cc2ccccc2OC)CC1 ZINC000012587638 221210974 /nfs/dbraw/zinc/21/09/74/221210974.db2.gz QUOKPLROVKLTEB-FQEVSTJZSA-N 1 3 376.541 2.892 50 0 GFAAHO COCC[N@@H+](C[C@@H]1CCOC1)CC1CCN(Cc2ccccc2OC)CC1 ZINC000012587638 221210977 /nfs/dbraw/zinc/21/09/77/221210977.db2.gz QUOKPLROVKLTEB-FQEVSTJZSA-N 1 3 376.541 2.892 50 0 GFAAHO CCCC[NH+](CCCC)CCNC(=O)C1=C(C)C(=O)OC12CCN(CC)CC2 ZINC000015679431 221339671 /nfs/dbraw/zinc/33/96/71/221339671.db2.gz PAYCPEWBBKDKJO-UHFFFAOYSA-N 1 3 393.572 2.733 50 0 GFAAHO C[C@@H]1CN(CC2CC[NH+](CCCn3c4ccccc4oc3=O)CC2)C[C@H](C)O1 ZINC000069016715 222172664 /nfs/dbraw/zinc/17/26/64/222172664.db2.gz YXOHWNVJKLOVPI-HDICACEKSA-N 1 3 387.524 2.806 50 0 GFAAHO Cc1cccc(C)c1-n1ncc(C(=O)NCCN2CCCC2)c1C1CC[NH2+]CC1 ZINC000007000489 570732977 /nfs/dbraw/zinc/73/29/77/570732977.db2.gz KHPRDIZFVUFXQG-UHFFFAOYSA-N 1 3 395.551 2.782 50 0 GFAAHO Cc1nccn1CCC[NH2+]Cc1ccc(OC[C@H](O)CN2CCCCC2)cc1 ZINC000019222853 570963189 /nfs/dbraw/zinc/96/31/89/570963189.db2.gz QAADKHMLXWUBDT-OAQYLSRUSA-N 1 3 386.540 2.597 50 0 GFAAHO COc1cc(CN2CCC3(CCO3)CC2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000095509646 571081102 /nfs/dbraw/zinc/08/11/02/571081102.db2.gz KMZFSWLLLFSRCJ-IBGZPJMESA-N 1 3 392.540 2.530 50 0 GFAAHO COc1cc(CN2CCC3(CCO3)CC2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000095509646 571081104 /nfs/dbraw/zinc/08/11/04/571081104.db2.gz KMZFSWLLLFSRCJ-IBGZPJMESA-N 1 3 392.540 2.530 50 0 GFAAHO COC[C@@H]1CN(Cc2cc(Br)ccc2OC)CC12CC[NH2+]CC2 ZINC000169789799 655143897 /nfs/dbraw/zinc/14/38/97/655143897.db2.gz XXRXOBKNVIMLLH-HNNXBMFYSA-N 1 3 383.330 2.906 50 0 GFAAHO CC1CCN(c2ccc(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)cn2)CC1 ZINC000171404506 136199351 /nfs/dbraw/zinc/19/93/51/136199351.db2.gz NBJFWQZPYDCPDA-UHFFFAOYSA-N 1 3 399.583 2.606 50 0 GFAAHO CN(CCc1ccccc1)C1(C(=O)N[C@H]2CCC[NH2+]C2)Cc2ccccc2C1 ZINC000072142202 222211260 /nfs/dbraw/zinc/21/12/60/222211260.db2.gz VJIMRJMOCTVSKW-QFIPXVFZSA-N 1 3 377.532 2.567 50 0 GFAAHO CNCC(=O)N(Cc1cccnc1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000095508819 222340433 /nfs/dbraw/zinc/34/04/33/222340433.db2.gz DZNOVZPKQKSMKE-UHFFFAOYSA-N 1 3 380.536 2.850 50 0 GFAAHO COc1ccc(CNC(=O)CC[C@H]2CCCN(C3CC[NH2+]CC3)C2)c(OC)c1 ZINC000095523824 222348924 /nfs/dbraw/zinc/34/89/24/222348924.db2.gz NMRBFLBZPCFFNA-QGZVFWFLSA-N 1 3 389.540 2.564 50 0 GFAAHO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](C3CCNCC3)C2)c(OC)c1 ZINC000095523824 222348927 /nfs/dbraw/zinc/34/89/27/222348927.db2.gz NMRBFLBZPCFFNA-QGZVFWFLSA-N 1 3 389.540 2.564 50 0 GFAAHO COc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](C3CCNCC3)C2)c(OC)c1 ZINC000095523824 222348931 /nfs/dbraw/zinc/34/89/31/222348931.db2.gz NMRBFLBZPCFFNA-QGZVFWFLSA-N 1 3 389.540 2.564 50 0 GFAAHO C[N@H+](C[C@@H](O)COc1ccccc1CNCCN1CCCC1)C1CCCCC1 ZINC000020254808 570250282 /nfs/dbraw/zinc/25/02/82/570250282.db2.gz FRZNUSWEXBFJBU-JOCHJYFZSA-N 1 3 389.584 2.876 50 0 GFAAHO C[N@@H+](C[C@@H](O)COc1ccccc1CNCCN1CCCC1)C1CCCCC1 ZINC000020254808 570250285 /nfs/dbraw/zinc/25/02/85/570250285.db2.gz FRZNUSWEXBFJBU-JOCHJYFZSA-N 1 3 389.584 2.876 50 0 GFAAHO OC[C@H]1C[N@H+](Cc2cccc(-c3ccco3)c2)C[C@H]1CN1CCC(CO)CC1 ZINC000091656038 571023166 /nfs/dbraw/zinc/02/31/66/571023166.db2.gz LXGUOVWMOFXYKI-FGZHOGPDSA-N 1 3 384.520 2.691 50 0 GFAAHO OC[C@H]1C[N@@H+](Cc2cccc(-c3ccco3)c2)C[C@H]1CN1CCC(CO)CC1 ZINC000091656038 571023170 /nfs/dbraw/zinc/02/31/70/571023170.db2.gz LXGUOVWMOFXYKI-FGZHOGPDSA-N 1 3 384.520 2.691 50 0 GFAAHO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(c2cc(N3CCCC3)cnn2)C1 ZINC000095496966 136179644 /nfs/dbraw/zinc/17/96/44/136179644.db2.gz ZZHUPXLDFDYBEK-SFHVURJKSA-N 1 3 383.544 2.609 50 0 GFAAHO COCC[N@@H+]1CCC[C@H](CN(C)C(=O)c2ccc(-c3cc(N)ccn3)cc2)C1 ZINC000426398027 231213534 /nfs/dbraw/zinc/21/35/34/231213534.db2.gz IKQRHYXZBPAPES-QGZVFWFLSA-N 1 3 382.508 2.761 50 0 GFAAHO COCC[N@H+]1CCC[C@H](CN(C)C(=O)c2ccc(-c3cc(N)ccn3)cc2)C1 ZINC000426398027 231213537 /nfs/dbraw/zinc/21/35/37/231213537.db2.gz IKQRHYXZBPAPES-QGZVFWFLSA-N 1 3 382.508 2.761 50 0 GFAAHO O=C(NCC1CC1)[C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000012074627 221147052 /nfs/dbraw/zinc/14/70/52/221147052.db2.gz QBAOFJWMNSSMJS-OAQYLSRUSA-N 1 3 381.564 2.856 50 0 GFAAHO O[C@H](COc1ccccc1CNCCCOc1cccnc1)C[NH+]1CCCCC1 ZINC000012431982 221193704 /nfs/dbraw/zinc/19/37/04/221193704.db2.gz MKQCESACJKCKPN-NRFANRHFSA-N 1 3 399.535 2.866 50 0 GFAAHO CN(C)CCN(C)C(=O)c1cccc(OC2CC[NH+]([C@H]3CCSC3)CC2)c1 ZINC000014979268 221323047 /nfs/dbraw/zinc/32/30/47/221323047.db2.gz XQPDMEBWCYCNIT-SFHVURJKSA-N 1 3 391.581 2.669 50 0 GFAAHO O=C(c1ccc(C[C@@H]2CCC[NH2+]C2)cc1)N1CCCN(c2ccncc2)CC1 ZINC000072132098 222210684 /nfs/dbraw/zinc/21/06/84/222210684.db2.gz AWCBMUSMOBZXJJ-FQEVSTJZSA-N 1 3 378.520 2.976 50 0 GFAAHO C[NH+](C)CCOc1cccc(CN2CCN(CC(C)(C)C)[C@@H](CCO)C2)c1 ZINC000019838907 570224301 /nfs/dbraw/zinc/22/43/01/570224301.db2.gz DVRMFYKLSVJFKY-FQEVSTJZSA-N 1 3 377.573 2.542 50 0 GFAAHO CC[NH+]1CCC(N2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)CC1 ZINC000022913164 570334353 /nfs/dbraw/zinc/33/43/53/570334353.db2.gz ZNMJCYUGJJLKHP-OAQYLSRUSA-N 1 3 386.584 2.766 50 0 GFAAHO O=C(NCCN1CCC[C@@H](c2ccccc2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000426530378 231235149 /nfs/dbraw/zinc/23/51/49/231235149.db2.gz GEURJJPLQHNEHY-OAQYLSRUSA-N 1 3 393.535 2.793 50 0 GFAAHO C[C@@H](Cc1ccc(O)cc1)[NH+]1CCC(N2CCC(C(=O)NC3CC3)CC2)CC1 ZINC000011700885 221123685 /nfs/dbraw/zinc/12/36/85/221123685.db2.gz XDQZGQMYGVGZHD-KRWDZBQOSA-N 1 3 385.552 2.778 50 0 GFAAHO CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[C@@H]1CCCCN1CC ZINC000011944569 221140505 /nfs/dbraw/zinc/14/05/05/221140505.db2.gz IARSYPJIOGVURM-NRFANRHFSA-N 1 3 378.605 2.516 50 0 GFAAHO CCN1CCC[C@H]1CNC(=O)CCC1CC[NH+](C2CSCCSC2)CC1 ZINC000012372826 221186209 /nfs/dbraw/zinc/18/62/09/221186209.db2.gz CMLVPYQADPGLOC-SFHVURJKSA-N 1 3 399.670 2.928 50 0 GFAAHO O=C(NC1CCC1)[C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000014980879 221323462 /nfs/dbraw/zinc/32/34/62/221323462.db2.gz RTECLDABVRXVKC-HXUWFJFHSA-N 1 3 381.564 2.999 50 0 GFAAHO O[C@@H]1CN(Cc2cccn2-c2cc[nH+]cc2)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067713456 222155549 /nfs/dbraw/zinc/15/55/49/222155549.db2.gz XDKACTQDJODXRY-VQTJNVASSA-N 1 3 377.444 2.951 50 0 GFAAHO CN(CCc1ccccc1)C1(C(=O)NCC2CC[NH2+]CC2)Cc2ccccc2C1 ZINC000072162860 222215723 /nfs/dbraw/zinc/21/57/23/222215723.db2.gz AGCRFJALXVFVRQ-UHFFFAOYSA-N 1 3 391.559 2.814 50 0 GFAAHO C[N@H+](CCCN1CC2(CCN([C@H]3CCOC3)CC2)OC1=O)C1CCCCC1 ZINC000072425003 222259099 /nfs/dbraw/zinc/25/90/99/222259099.db2.gz JLTLHNWHBWCODV-IBGZPJMESA-N 1 3 379.545 2.717 50 0 GFAAHO C[N@@H+](CCCN1CC2(CCN([C@H]3CCOC3)CC2)OC1=O)C1CCCCC1 ZINC000072425003 222259102 /nfs/dbraw/zinc/25/91/02/222259102.db2.gz JLTLHNWHBWCODV-IBGZPJMESA-N 1 3 379.545 2.717 50 0 GFAAHO CCCN1CC2(C[C@H]1C(=O)NCCc1nc(C)c(C)s1)CC[NH+](C)CC2 ZINC000072432363 222260670 /nfs/dbraw/zinc/26/06/70/222260670.db2.gz YUXRIGRRKYZZDO-KRWDZBQOSA-N 1 3 378.586 2.615 50 0 GFAAHO O=C(CC[C@H]1CCCN(C2CC[NH2+]CC2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000095505590 222339097 /nfs/dbraw/zinc/33/90/97/222339097.db2.gz YBDSJGGBWKNYNH-JOCHJYFZSA-N 1 3 398.595 2.575 50 0 GFAAHO O=C(CC[C@H]1CCC[N@@H+](C2CCNCC2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000095505590 222339101 /nfs/dbraw/zinc/33/91/01/222339101.db2.gz YBDSJGGBWKNYNH-JOCHJYFZSA-N 1 3 398.595 2.575 50 0 GFAAHO O=C(CC[C@H]1CCC[N@H+](C2CCNCC2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000095505590 222339106 /nfs/dbraw/zinc/33/91/06/222339106.db2.gz YBDSJGGBWKNYNH-JOCHJYFZSA-N 1 3 398.595 2.575 50 0 GFAAHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000036403726 570689551 /nfs/dbraw/zinc/68/95/51/570689551.db2.gz DHRRYBGWEXUNCC-VXKWHMMOSA-N 1 3 378.520 2.835 50 0 GFAAHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000036403726 570689552 /nfs/dbraw/zinc/68/95/52/570689552.db2.gz DHRRYBGWEXUNCC-VXKWHMMOSA-N 1 3 378.520 2.835 50 0 GFAAHO CC[NH+](CC)C[C@H](O)COc1ccc(CNCCc2cscn2)cc1OC ZINC000012468025 221198036 /nfs/dbraw/zinc/19/80/36/221198036.db2.gz UCGXTRUZRRJRFG-SFHVURJKSA-N 1 3 393.553 2.566 50 0 GFAAHO