smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@@H+](Cc1ccc(NC(C)=O)cc1)C[C@@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000011843274 558288303 /nfs/dbraw/zinc/28/83/03/558288303.db2.gz FNLXGVMLYWPOKX-QHCPKHFHSA-N 2 1 411.565 4.561 50 0 HJAAMP CC[N@H+](Cc1ccc(NC(C)=O)cc1)C[C@@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000011843274 558288306 /nfs/dbraw/zinc/28/83/06/558288306.db2.gz FNLXGVMLYWPOKX-QHCPKHFHSA-N 2 1 411.565 4.561 50 0 HJAAMP CC[NH+](Cc1ccc(NC(C)=O)cc1)C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000011843274 558288309 /nfs/dbraw/zinc/28/83/09/558288309.db2.gz FNLXGVMLYWPOKX-QHCPKHFHSA-N 2 1 411.565 4.561 50 0 HJAAMP CC[NH+](Cc1ccc(NC(C)=O)cc1)C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000011843274 558288311 /nfs/dbraw/zinc/28/83/11/558288311.db2.gz FNLXGVMLYWPOKX-QHCPKHFHSA-N 2 1 411.565 4.561 50 0 HJAAMP COCC[N@H+](Cc1cc(C)c(O)c(C)c1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012430070 558404650 /nfs/dbraw/zinc/40/46/50/558404650.db2.gz ZVSGFFMMPOMXQG-UHFFFAOYSA-N 2 1 414.565 4.509 50 0 HJAAMP COc1ccc(CC[N@H+](Cc2cn(C)c3ccccc23)CC2CC[NH+](C)CC2)cc1 ZINC000012434536 558408269 /nfs/dbraw/zinc/40/82/69/558408269.db2.gz TXACKCUSYVFLPC-UHFFFAOYSA-N 2 1 405.586 4.573 50 0 HJAAMP COc1ccc(/C=C/C[N@H+](CCc2ccc(OC)cc2)CC2CC[NH+](C)CC2)cc1 ZINC000015074386 558715074 /nfs/dbraw/zinc/71/50/74/558715074.db2.gz ADTCOQRPWWZBPF-SNAWJCMRSA-N 2 1 408.586 4.604 50 0 HJAAMP COCC[N@H+](Cc1ccc(Cl)s1)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000055153525 558874315 /nfs/dbraw/zinc/87/43/15/558874315.db2.gz VIFCFYKEJBLJOF-UHFFFAOYSA-N 2 1 423.022 4.771 50 0 HJAAMP Fc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)c(F)c1 ZINC000040091416 571161286 /nfs/dbraw/zinc/16/12/86/571161286.db2.gz YTUVIRFKFIBGGA-UHFFFAOYSA-N 2 1 407.508 4.577 50 0 HJAAMP c1cc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)n(-c2cccnc2)c1 ZINC000015073368 558714172 /nfs/dbraw/zinc/71/41/72/558714172.db2.gz XVSHGDURKJAKSY-SANMLTNESA-N 2 1 422.617 4.508 50 0 HJAAMP C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000012314790 568466339 /nfs/dbraw/zinc/46/63/39/568466339.db2.gz ZUOQTBUTCOYDFC-XMMPIXPASA-N 2 1 424.972 4.502 50 0 HJAAMP CCOc1ccc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000012458835 568756329 /nfs/dbraw/zinc/75/63/29/568756329.db2.gz SETZZWDVIVRBLZ-RUZDIDTESA-N 2 1 400.607 4.721 50 0 HJAAMP CC(=O)Nc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CCCc2ccccc2)C3)cc1 ZINC000055253195 569396701 /nfs/dbraw/zinc/39/67/01/569396701.db2.gz IKYPYGRYUBGLRO-SANMLTNESA-N 2 1 405.586 4.566 50 0 HJAAMP CC(=O)Nc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CCCc2ccccc2)C3)cc1 ZINC000055253195 569396702 /nfs/dbraw/zinc/39/67/02/569396702.db2.gz IKYPYGRYUBGLRO-SANMLTNESA-N 2 1 405.586 4.566 50 0 HJAAMP CC(=O)Nc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)cc1 ZINC000055253195 569396703 /nfs/dbraw/zinc/39/67/03/569396703.db2.gz IKYPYGRYUBGLRO-SANMLTNESA-N 2 1 405.586 4.566 50 0 HJAAMP CC(=O)Nc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CCCc2ccccc2)C3)cc1 ZINC000055253195 569396704 /nfs/dbraw/zinc/39/67/04/569396704.db2.gz IKYPYGRYUBGLRO-SANMLTNESA-N 2 1 405.586 4.566 50 0 HJAAMP C[N@H+](Cc1ccccc1NC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1)C1CCCCC1 ZINC000040103366 571163956 /nfs/dbraw/zinc/16/39/56/571163956.db2.gz AETPPXIRWVQIAR-RUZDIDTESA-N 2 1 420.601 4.972 50 0 HJAAMP C[N@@H+](Cc1ccccc1NC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1)C1CCCCC1 ZINC000040103366 571163958 /nfs/dbraw/zinc/16/39/58/571163958.db2.gz AETPPXIRWVQIAR-RUZDIDTESA-N 2 1 420.601 4.972 50 0 HJAAMP C[NH+](Cc1ccccc1NC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)C1CCCCC1 ZINC000040103366 571163960 /nfs/dbraw/zinc/16/39/60/571163960.db2.gz AETPPXIRWVQIAR-RUZDIDTESA-N 2 1 420.601 4.972 50 0 HJAAMP C[NH+](Cc1ccccc1NC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)C1CCCCC1 ZINC000040103366 571163963 /nfs/dbraw/zinc/16/39/63/571163963.db2.gz AETPPXIRWVQIAR-RUZDIDTESA-N 2 1 420.601 4.972 50 0 HJAAMP CC[N@H+](Cc1nc2ccccc2n1C)CC1CC[NH+](CCc2ccccc2C)CC1 ZINC000012205440 558352427 /nfs/dbraw/zinc/35/24/27/558352427.db2.gz HIRNLRJGCZVZRJ-UHFFFAOYSA-N 2 1 404.602 4.658 50 0 HJAAMP CC(=O)c1cc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cs1 ZINC000012385515 558394512 /nfs/dbraw/zinc/39/45/12/558394512.db2.gz PAVXOGJRUOBMCP-JOCHJYFZSA-N 2 1 404.620 4.586 50 0 HJAAMP CC(=O)c1cc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cs1 ZINC000012385515 558394513 /nfs/dbraw/zinc/39/45/13/558394513.db2.gz PAVXOGJRUOBMCP-JOCHJYFZSA-N 2 1 404.620 4.586 50 0 HJAAMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)CC1 ZINC000012715147 558454551 /nfs/dbraw/zinc/45/45/51/558454551.db2.gz DGGIDQONJFDAKU-UHFFFAOYSA-N 2 1 409.549 4.628 50 0 HJAAMP COc1ccc(/C=C/C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccccc3OC)C2)cc1 ZINC000014949387 558680604 /nfs/dbraw/zinc/68/06/04/558680604.db2.gz WECOUGNCMQPXNM-AVAOGFIGSA-N 2 1 408.586 4.604 50 0 HJAAMP COc1ccc(/C=C/C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccccc3OC)C2)cc1 ZINC000014949387 558680607 /nfs/dbraw/zinc/68/06/07/558680607.db2.gz WECOUGNCMQPXNM-AVAOGFIGSA-N 2 1 408.586 4.604 50 0 HJAAMP COc1ccc(/C=C/C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccccc3OC)C2)cc1 ZINC000014949387 558680610 /nfs/dbraw/zinc/68/06/10/558680610.db2.gz WECOUGNCMQPXNM-AVAOGFIGSA-N 2 1 408.586 4.604 50 0 HJAAMP C(c1nc2c(s1)CCCC2)[N@@H+](C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012298024 558368022 /nfs/dbraw/zinc/36/80/22/558368022.db2.gz VMUIGPHRNFSGTG-NRFANRHFSA-N 2 1 417.663 4.658 50 0 HJAAMP COc1ccc(C[NH2+]CC[C@]2(Cc3ccccc3)C[C@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000004751979 559049104 /nfs/dbraw/zinc/04/91/04/559049104.db2.gz FYBSRGAMRKRJQM-YZIHRLCOSA-N 2 1 410.602 4.773 50 0 HJAAMP C(=C/c1ccccc1)\C[N@@H+]1CCC[C@H](c2ccnc(SCC[NH+]3CCCC3)n2)C1 ZINC000014958483 568485266 /nfs/dbraw/zinc/48/52/66/568485266.db2.gz WTRUHZRRVMSYSB-FLVSMNSFSA-N 2 1 408.615 4.557 50 0 HJAAMP COCC[N@H+](C/C=C/c1ccccc1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000012385786 558394830 /nfs/dbraw/zinc/39/48/30/558394830.db2.gz ITAFMYYMYFVNGJ-QQRRWSATSA-N 2 1 404.598 4.528 50 0 HJAAMP COCC[N@@H+](C/C=C/c1ccccc1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000012385786 558394833 /nfs/dbraw/zinc/39/48/33/558394833.db2.gz ITAFMYYMYFVNGJ-QQRRWSATSA-N 2 1 404.598 4.528 50 0 HJAAMP COCC[NH+](C/C=C/c1ccccc1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012385786 558394836 /nfs/dbraw/zinc/39/48/36/558394836.db2.gz ITAFMYYMYFVNGJ-QQRRWSATSA-N 2 1 404.598 4.528 50 0 HJAAMP COCC[NH+](C/C=C/c1ccccc1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012385786 558394841 /nfs/dbraw/zinc/39/48/41/558394841.db2.gz ITAFMYYMYFVNGJ-QQRRWSATSA-N 2 1 404.598 4.528 50 0 HJAAMP COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3cccc4cccnc43)CC2)cc1 ZINC000012386838 558395539 /nfs/dbraw/zinc/39/55/39/558395539.db2.gz UWXBWKBQPADSHC-UHFFFAOYSA-N 2 1 403.570 4.630 50 0 HJAAMP C[N@H+](Cc1nc(-c2cccc(Cl)c2)no1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000012431262 558405762 /nfs/dbraw/zinc/40/57/62/558405762.db2.gz YARXYHXAONRMSH-UHFFFAOYSA-N 2 1 410.949 4.734 50 0 HJAAMP Cc1ccsc1C(=O)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012713263 558453811 /nfs/dbraw/zinc/45/38/11/558453811.db2.gz ZYFHVVUJNAEANV-OAQYLSRUSA-N 2 1 417.663 4.639 50 0 HJAAMP CC[NH+](CC)CCC[C@@H](C)Nc1nc(Nc2ccc3[nH+]c(C)cc(N)c3c2)cc(C)[nH+]1 ZINC000029042302 558708743 /nfs/dbraw/zinc/70/87/43/558708743.db2.gz DEFBCZWQLILOJF-MRXNPFEDSA-N 3 1 421.593 4.890 50 0 in-vitro HJAAMP C[NH+](CCC[N@H+](C)CCCNC(=O)c1cc(Cl)ccc1Cl)Cc1ccccc1 ZINC000002922179 557427106 /nfs/dbraw/zinc/42/71/06/557427106.db2.gz NIDZODKAALSVLQ-UHFFFAOYSA-N 2 1 422.400 4.567 50 0 HJAAMP C[NH+](CCC[N@@H+](C)CCCNC(=O)c1cc(Cl)ccc1Cl)Cc1ccccc1 ZINC000002922179 557427108 /nfs/dbraw/zinc/42/71/08/557427108.db2.gz NIDZODKAALSVLQ-UHFFFAOYSA-N 2 1 422.400 4.567 50 0 HJAAMP C[NH+](CCCNC(=O)c1cc(Cl)ccc1Cl)CCC[N@H+](C)Cc1ccccc1 ZINC000002922179 557427110 /nfs/dbraw/zinc/42/71/10/557427110.db2.gz NIDZODKAALSVLQ-UHFFFAOYSA-N 2 1 422.400 4.567 50 0 HJAAMP C[NH+](CCCNC(=O)c1cc(Cl)ccc1Cl)CCC[N@@H+](C)Cc1ccccc1 ZINC000002922179 557427111 /nfs/dbraw/zinc/42/71/11/557427111.db2.gz NIDZODKAALSVLQ-UHFFFAOYSA-N 2 1 422.400 4.567 50 0 HJAAMP C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]Cc2cccc(Cl)c2)cc1 ZINC000012058349 558316923 /nfs/dbraw/zinc/31/69/23/558316923.db2.gz WBHSNXGNQUDTRS-XMMPIXPASA-N 2 1 424.972 4.502 50 0 HJAAMP C[N@@H+](Cc1c[nH]nc1-c1cccc(F)c1)C[C@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000020205458 558346949 /nfs/dbraw/zinc/34/69/49/558346949.db2.gz RJCGXRRJUWUPCH-HXUWFJFHSA-N 2 1 424.539 4.741 50 0 HJAAMP C[N@H+](Cc1c[nH]nc1-c1cccc(F)c1)C[C@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000020205458 558346952 /nfs/dbraw/zinc/34/69/52/558346952.db2.gz RJCGXRRJUWUPCH-HXUWFJFHSA-N 2 1 424.539 4.741 50 0 HJAAMP C[NH+](Cc1c[nH]nc1-c1cccc(F)c1)C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000020205458 558346954 /nfs/dbraw/zinc/34/69/54/558346954.db2.gz RJCGXRRJUWUPCH-HXUWFJFHSA-N 2 1 424.539 4.741 50 0 HJAAMP C[NH+](Cc1c[nH]nc1-c1cccc(F)c1)C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000020205458 558346956 /nfs/dbraw/zinc/34/69/56/558346956.db2.gz RJCGXRRJUWUPCH-HXUWFJFHSA-N 2 1 424.539 4.741 50 0 HJAAMP CCOc1cccc(C[NH2+]C[C@H]2C[C@@](C)(CO)[N@H+](CC)[C@H]2c2ccc(Cl)cc2)c1 ZINC000012760657 558460895 /nfs/dbraw/zinc/46/08/95/558460895.db2.gz DECUWLJCZKDOJF-QDSKXPNFSA-N 2 1 416.993 4.662 50 0 HJAAMP CCOc1cccc(C[NH2+]C[C@H]2C[C@@](C)(CO)[N@@H+](CC)[C@H]2c2ccc(Cl)cc2)c1 ZINC000012760657 558460896 /nfs/dbraw/zinc/46/08/96/558460896.db2.gz DECUWLJCZKDOJF-QDSKXPNFSA-N 2 1 416.993 4.662 50 0 HJAAMP c1csc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)c1 ZINC000011816566 558279956 /nfs/dbraw/zinc/27/99/56/558279956.db2.gz XAYPQRFJHUVAHF-DEOSSOPVSA-N 2 1 410.627 4.609 50 0 HJAAMP Cc1ccccc1C[NH+]1CCC(C[N@H+](Cc2ccc(O)cc2)C[C@@H]2CCCO2)CC1 ZINC000011879879 558294438 /nfs/dbraw/zinc/29/44/38/558294438.db2.gz IDHYXUDMAHBJBQ-SANMLTNESA-N 2 1 408.586 4.594 50 0 HJAAMP CCOc1cc(C[N@@H+](C)CC2CC[NH+](CCc3ccccc3F)CC2)ccc1OC ZINC000012074516 558319133 /nfs/dbraw/zinc/31/91/33/558319133.db2.gz TZQAEZIJVUOVMA-UHFFFAOYSA-N 2 1 414.565 4.620 50 0 HJAAMP COCC[N@H+](C/C=C/c1ccccc1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000012385785 558394864 /nfs/dbraw/zinc/39/48/64/558394864.db2.gz ITAFMYYMYFVNGJ-IWXKUNQBSA-N 2 1 404.598 4.528 50 0 HJAAMP COCC[N@@H+](C/C=C/c1ccccc1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000012385785 558394866 /nfs/dbraw/zinc/39/48/66/558394866.db2.gz ITAFMYYMYFVNGJ-IWXKUNQBSA-N 2 1 404.598 4.528 50 0 HJAAMP COCC[NH+](C/C=C/c1ccccc1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012385785 558394869 /nfs/dbraw/zinc/39/48/69/558394869.db2.gz ITAFMYYMYFVNGJ-IWXKUNQBSA-N 2 1 404.598 4.528 50 0 HJAAMP COCC[NH+](C/C=C/c1ccccc1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012385785 558394872 /nfs/dbraw/zinc/39/48/72/558394872.db2.gz ITAFMYYMYFVNGJ-IWXKUNQBSA-N 2 1 404.598 4.528 50 0 HJAAMP Clc1ccc(CN2CCC[C@@H]([NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)cc1 ZINC000020779574 558412515 /nfs/dbraw/zinc/41/25/15/558412515.db2.gz CJCBKRWIGJVWPD-RUZDIDTESA-N 2 1 412.021 4.601 50 0 HJAAMP C(=C/c1ccco1)\C[N@@H+](C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012756959 558460340 /nfs/dbraw/zinc/46/03/40/558460340.db2.gz BCZZAPLMCNLTPJ-GEWAHEFESA-N 2 1 420.597 4.653 50 0 HJAAMP CCn1nc(C)c(C[N@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)c1C ZINC000020598251 523638036 /nfs/dbraw/zinc/63/80/36/523638036.db2.gz GDEHTWHJEDPQIJ-UHFFFAOYSA-N 2 1 409.622 4.572 50 0 HJAAMP COc1ccc(CC[N@H+]2CCC[C@H](C[NH+](C)Cc3cccc4cccnc43)C2)cc1 ZINC000011661799 558265655 /nfs/dbraw/zinc/26/56/55/558265655.db2.gz VOAIOXWEMPBVQB-JOCHJYFZSA-N 2 1 403.570 4.630 50 0 HJAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@H+](C)Cc3cccc4cccnc43)C2)cc1 ZINC000011661799 558265656 /nfs/dbraw/zinc/26/56/56/558265656.db2.gz VOAIOXWEMPBVQB-JOCHJYFZSA-N 2 1 403.570 4.630 50 0 HJAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@@H+](C)Cc3cccc4cccnc43)C2)cc1 ZINC000011661799 558265658 /nfs/dbraw/zinc/26/56/58/558265658.db2.gz VOAIOXWEMPBVQB-JOCHJYFZSA-N 2 1 403.570 4.630 50 0 HJAAMP FC(F)Oc1ccccc1C[N@@H+](C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012593872 558436783 /nfs/dbraw/zinc/43/67/83/558436783.db2.gz ASPDSDRJJZLVRQ-JOCHJYFZSA-N 2 1 422.560 4.924 50 0 HJAAMP Cc1ccsc1C(=O)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012713270 558453782 /nfs/dbraw/zinc/45/37/82/558453782.db2.gz ZYFHVVUJNAEANV-NRFANRHFSA-N 2 1 417.663 4.639 50 0 HJAAMP COc1ccc(-c2nn(-c3ccccc3C)cc2C[NH2+]CC[C@@H]2CCC[N@H+]2C)cc1F ZINC000019301056 558866494 /nfs/dbraw/zinc/86/64/94/558866494.db2.gz XWPINEBSCGDCQZ-NRFANRHFSA-N 2 1 422.548 4.569 50 0 HJAAMP COc1ccc(-c2nn(-c3ccccc3C)cc2C[NH2+]CC[C@H]2CCC[N@H+]2C)cc1F ZINC000019301057 558866537 /nfs/dbraw/zinc/86/65/37/558866537.db2.gz XWPINEBSCGDCQZ-OAQYLSRUSA-N 2 1 422.548 4.569 50 0 HJAAMP Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(NC[C@H]3CC[N@@H+](C(C)C)C3)c2c1C ZINC000058196677 558910990 /nfs/dbraw/zinc/91/09/90/558910990.db2.gz FWPXIPGOHPKRIA-LJQANCHMSA-N 2 1 415.651 4.682 50 0 HJAAMP Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(NC[C@H]3CC[N@H+](C(C)C)C3)c2c1C ZINC000058196677 558910992 /nfs/dbraw/zinc/91/09/92/558910992.db2.gz FWPXIPGOHPKRIA-LJQANCHMSA-N 2 1 415.651 4.682 50 0 HJAAMP COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+](C)Cc3cccc4cccnc43)C2)cc1 ZINC000011661798 558265638 /nfs/dbraw/zinc/26/56/38/558265638.db2.gz VOAIOXWEMPBVQB-QFIPXVFZSA-N 2 1 403.570 4.630 50 0 HJAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@H+](C)Cc3cccc4cccnc43)C2)cc1 ZINC000011661798 558265639 /nfs/dbraw/zinc/26/56/39/558265639.db2.gz VOAIOXWEMPBVQB-QFIPXVFZSA-N 2 1 403.570 4.630 50 0 HJAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)Cc3cccc4cccnc43)C2)cc1 ZINC000011661798 558265640 /nfs/dbraw/zinc/26/56/40/558265640.db2.gz VOAIOXWEMPBVQB-QFIPXVFZSA-N 2 1 403.570 4.630 50 0 HJAAMP CCOc1ccc(C[NH2+]C[C@H]2C[C@@](C)(CO)[N@H+](CC)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000012074806 558319154 /nfs/dbraw/zinc/31/91/54/558319154.db2.gz QKAMSDWQVMJVDR-QDSKXPNFSA-N 2 1 416.993 4.662 50 0 HJAAMP CCOc1ccc(C[NH2+]C[C@H]2C[C@@](C)(CO)[N@@H+](CC)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000012074806 558319157 /nfs/dbraw/zinc/31/91/57/558319157.db2.gz QKAMSDWQVMJVDR-QDSKXPNFSA-N 2 1 416.993 4.662 50 0 HJAAMP COc1ccccc1/C=C/C[N@@H+](C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012715420 558454899 /nfs/dbraw/zinc/45/48/99/558454899.db2.gz UXMCPSAVOMORJS-QLUGYHCRSA-N 2 1 412.618 4.844 50 0 HJAAMP CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCC[NH+](C)C)cc1 ZINC000002715245 568802385 /nfs/dbraw/zinc/80/23/85/568802385.db2.gz YNFHIJMUVMJIMN-UHFFFAOYSA-N 2 1 415.541 4.850 50 0 HJAAMP Cc1ccc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)o1 ZINC000011705163 558270679 /nfs/dbraw/zinc/27/06/79/558270679.db2.gz BKMLTSCUMQSIFE-QFIPXVFZSA-N 2 1 400.538 4.620 50 0 HJAAMP CCCn1ncc(C[N@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)c1C ZINC000011937952 558301387 /nfs/dbraw/zinc/30/13/87/558301387.db2.gz ZRALWIYWJVBEFS-UHFFFAOYSA-N 2 1 409.622 4.653 50 0 HJAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2ccccc2-c2ccco2)CC1 ZINC000012297457 558367587 /nfs/dbraw/zinc/36/75/87/558367587.db2.gz ALBRAEJUCWPUBU-HSZRJFAPSA-N 2 1 423.601 4.539 50 0 HJAAMP Cn1cc(C[NH2+]CC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(-c2cccc(Cl)c2)n1 ZINC000011661050 558265107 /nfs/dbraw/zinc/26/51/07/558265107.db2.gz HSOROACMRGDLGN-FQEVSTJZSA-N 2 1 408.977 4.742 50 0 HJAAMP OC[C@]1(CCc2ccccc2)CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)s2)C1 ZINC000011816964 558280413 /nfs/dbraw/zinc/28/04/13/558280413.db2.gz OFVMXDZNRVHGFL-VWLOTQADSA-N 2 1 412.643 4.941 50 0 HJAAMP CC[N@@H+](Cc1cccn1-c1cccnc1)C[C@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000020454778 558368591 /nfs/dbraw/zinc/36/85/91/558368591.db2.gz IJTGECOXMGFZGQ-HSZRJFAPSA-N 2 1 420.576 4.788 50 0 HJAAMP CC[N@H+](Cc1cccn1-c1cccnc1)C[C@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000020454778 558368592 /nfs/dbraw/zinc/36/85/92/558368592.db2.gz IJTGECOXMGFZGQ-HSZRJFAPSA-N 2 1 420.576 4.788 50 0 HJAAMP CC[NH+](Cc1cccn1-c1cccnc1)C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000020454778 558368594 /nfs/dbraw/zinc/36/85/94/558368594.db2.gz IJTGECOXMGFZGQ-HSZRJFAPSA-N 2 1 420.576 4.788 50 0 HJAAMP CC[NH+](Cc1cccn1-c1cccnc1)C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000020454778 558368595 /nfs/dbraw/zinc/36/85/95/558368595.db2.gz IJTGECOXMGFZGQ-HSZRJFAPSA-N 2 1 420.576 4.788 50 0 HJAAMP Cc1ccccc1CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cn(C)nc2-c2ccccc2)C1 ZINC000014962884 558684612 /nfs/dbraw/zinc/68/46/12/558684612.db2.gz LKMMZWUUJAUBMC-QHCPKHFHSA-N 2 1 416.613 4.782 50 0 HJAAMP Cc1ccccc1CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cn(C)nc2-c2ccccc2)C1 ZINC000014962884 558684614 /nfs/dbraw/zinc/68/46/14/558684614.db2.gz LKMMZWUUJAUBMC-QHCPKHFHSA-N 2 1 416.613 4.782 50 0 HJAAMP Cc1ccccc1CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cn(C)nc2-c2ccccc2)C1 ZINC000014962884 558684617 /nfs/dbraw/zinc/68/46/17/558684617.db2.gz LKMMZWUUJAUBMC-QHCPKHFHSA-N 2 1 416.613 4.782 50 0 HJAAMP Cc1ccccc1CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cn(C)nc2-c2ccccc2)C1 ZINC000014962884 558684619 /nfs/dbraw/zinc/68/46/19/558684619.db2.gz LKMMZWUUJAUBMC-QHCPKHFHSA-N 2 1 416.613 4.782 50 0 HJAAMP Fc1ccccc1C[NH+]1CCC(C[N@@H+](C/C=C/c2ccco2)C[C@H]2CCCO2)CC1 ZINC000014978970 558690444 /nfs/dbraw/zinc/69/04/44/558690444.db2.gz KISVYENXEMDNNA-CMEAPCDJSA-N 2 1 412.549 4.825 50 0 HJAAMP C[N@@H+](Cc1cccnc1)[C@@H](Cc1ccccc1)C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000014999716 558697251 /nfs/dbraw/zinc/69/72/51/558697251.db2.gz SMXIYVHVPGBWLA-MHZLTWQESA-N 2 1 415.581 4.743 50 0 HJAAMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCC[N@H+](C/C=C/c3ccc(F)cc3)C2)cc1 ZINC000015075105 558715586 /nfs/dbraw/zinc/71/55/86/558715586.db2.gz BOBUSJGJJBRHIF-ZZNNXKBLSA-N 2 1 418.516 4.684 50 0 HJAAMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCC[N@@H+](C/C=C/c3ccc(F)cc3)C2)cc1 ZINC000015075105 558715589 /nfs/dbraw/zinc/71/55/89/558715589.db2.gz BOBUSJGJJBRHIF-ZZNNXKBLSA-N 2 1 418.516 4.684 50 0 HJAAMP Cc1cccc2cc(CNCc3ccccc3Cl)c(N3CC[N@H+]4CCC[C@H]4C3)nc12 ZINC000244899593 558784750 /nfs/dbraw/zinc/78/47/50/558784750.db2.gz ZMNHRHMLUYZADW-QFIPXVFZSA-N 2 1 420.988 4.771 50 0 HJAAMP Cc1cccc2cc(C[NH2+]Cc3ccccc3Cl)c(N3CC[N@@H+]4CCC[C@H]4C3)nc12 ZINC000244899593 558784753 /nfs/dbraw/zinc/78/47/53/558784753.db2.gz ZMNHRHMLUYZADW-QFIPXVFZSA-N 2 1 420.988 4.771 50 0 HJAAMP Cc1cccc2cc(C[NH2+]Cc3ccccc3Cl)c(N3CC[N@H+]4CCC[C@H]4C3)nc12 ZINC000244899593 558784756 /nfs/dbraw/zinc/78/47/56/558784756.db2.gz ZMNHRHMLUYZADW-QFIPXVFZSA-N 2 1 420.988 4.771 50 0 HJAAMP CCn1cc(C[N@H+]2CCCC23CCN(c2cc(C)[nH+]c4ccccc42)CC3)c(C)n1 ZINC000072477513 558983875 /nfs/dbraw/zinc/98/38/75/558983875.db2.gz PZTPVVLUFMYLLO-UHFFFAOYSA-N 2 1 403.574 4.703 50 0 HJAAMP C[N@H+](Cc1ccc2cc(F)ccc2n1)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000067818738 558993380 /nfs/dbraw/zinc/99/33/80/558993380.db2.gz IAAPNSPXHPSXMK-UHFFFAOYSA-N 2 1 409.524 4.900 50 0 HJAAMP COCC[N@H+](Cc1c[nH]c2ccccc12)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000012058529 558316892 /nfs/dbraw/zinc/31/68/92/558316892.db2.gz WINOYBPUQWKHFU-UHFFFAOYSA-N 2 1 421.585 4.537 50 0 HJAAMP CCn1ccnc1C[N@@H+](CC1CC[NH+](CCc2ccccc2C)CC1)C1CCCC1 ZINC000012317879 558381026 /nfs/dbraw/zinc/38/10/26/558381026.db2.gz LEPGVLDOZBQBLS-UHFFFAOYSA-N 2 1 408.634 4.911 50 0 HJAAMP Fc1ccc(F)c(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1F ZINC000012454747 558416933 /nfs/dbraw/zinc/41/69/33/558416933.db2.gz WNMDDDHXYRSAHS-IBGZPJMESA-N 2 1 410.524 4.740 50 0 HJAAMP Fc1ccc(F)c(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1F ZINC000012454747 558416934 /nfs/dbraw/zinc/41/69/34/558416934.db2.gz WNMDDDHXYRSAHS-IBGZPJMESA-N 2 1 410.524 4.740 50 0 HJAAMP Fc1ccccc1C[NH+]1CCC(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)CC1 ZINC000012711874 558453128 /nfs/dbraw/zinc/45/31/28/558453128.db2.gz FMAPHMQNKMPONR-NRFANRHFSA-N 2 1 402.579 4.780 50 0 HJAAMP c1nn(-c2ccccc2)cc1C[N@@H+](C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000023153292 558539438 /nfs/dbraw/zinc/53/94/38/558539438.db2.gz ANBLQTJGLRHWRV-AREMUKBSSA-N 2 1 422.617 4.508 50 0 HJAAMP Cc1ccccc1CC[NH+]1CCC[C@H](C[N@@H+](C)Cc2cn(C)nc2-c2ccccc2)C1 ZINC000014962888 558684543 /nfs/dbraw/zinc/68/45/43/558684543.db2.gz LKMMZWUUJAUBMC-HSZRJFAPSA-N 2 1 416.613 4.782 50 0 HJAAMP Cc1ccccc1CC[NH+]1CCC[C@H](C[N@H+](C)Cc2cn(C)nc2-c2ccccc2)C1 ZINC000014962888 558684547 /nfs/dbraw/zinc/68/45/47/558684547.db2.gz LKMMZWUUJAUBMC-HSZRJFAPSA-N 2 1 416.613 4.782 50 0 HJAAMP Cc1ccccc1CC[N@H+]1CCC[C@H](C[NH+](C)Cc2cn(C)nc2-c2ccccc2)C1 ZINC000014962888 558684549 /nfs/dbraw/zinc/68/45/49/558684549.db2.gz LKMMZWUUJAUBMC-HSZRJFAPSA-N 2 1 416.613 4.782 50 0 HJAAMP Cc1ccccc1CC[N@@H+]1CCC[C@H](C[NH+](C)Cc2cn(C)nc2-c2ccccc2)C1 ZINC000014962888 558684552 /nfs/dbraw/zinc/68/45/52/558684552.db2.gz LKMMZWUUJAUBMC-HSZRJFAPSA-N 2 1 416.613 4.782 50 0 HJAAMP COCC[N@@H+](C/C=C/c1ccccc1)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000015064455 558707246 /nfs/dbraw/zinc/70/72/46/558707246.db2.gz UQMOJEFJRVZYSB-DHZHZOJOSA-N 2 1 408.586 4.569 50 0 HJAAMP Cn1cc(C[NH2+]CC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(-c2cccc(Cl)c2)n1 ZINC000011661049 558265092 /nfs/dbraw/zinc/26/50/92/558265092.db2.gz HSOROACMRGDLGN-HXUWFJFHSA-N 2 1 408.977 4.742 50 0 HJAAMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cn(-c2cccc(C)c2)nc1-c1cccc(F)c1 ZINC000011818889 558282067 /nfs/dbraw/zinc/28/20/67/558282067.db2.gz IWVCYWMLBWOMML-UHFFFAOYSA-N 2 1 403.505 4.624 50 0 HJAAMP Cc1[nH+]ccn1CC[N@H+](C)Cc1cn(-c2cccc(C)c2)nc1-c1cccc(F)c1 ZINC000011818889 558282068 /nfs/dbraw/zinc/28/20/68/558282068.db2.gz IWVCYWMLBWOMML-UHFFFAOYSA-N 2 1 403.505 4.624 50 0 HJAAMP CC[N@@H+](Cc1ccc(NC(C)=O)cc1)C[C@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000011843275 558288348 /nfs/dbraw/zinc/28/83/48/558288348.db2.gz FNLXGVMLYWPOKX-HSZRJFAPSA-N 2 1 411.565 4.561 50 0 HJAAMP CC[N@H+](Cc1ccc(NC(C)=O)cc1)C[C@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000011843275 558288351 /nfs/dbraw/zinc/28/83/51/558288351.db2.gz FNLXGVMLYWPOKX-HSZRJFAPSA-N 2 1 411.565 4.561 50 0 HJAAMP CC[NH+](Cc1ccc(NC(C)=O)cc1)C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000011843275 558288353 /nfs/dbraw/zinc/28/83/53/558288353.db2.gz FNLXGVMLYWPOKX-HSZRJFAPSA-N 2 1 411.565 4.561 50 0 HJAAMP CC[NH+](Cc1ccc(NC(C)=O)cc1)C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000011843275 558288355 /nfs/dbraw/zinc/28/83/55/558288355.db2.gz FNLXGVMLYWPOKX-HSZRJFAPSA-N 2 1 411.565 4.561 50 0 HJAAMP c1cnn(-c2cccc(C[N@@H+](C[C@H]3CCCO3)CC3CC[NH+](C4CCCC4)CC3)c2)c1 ZINC000012316002 558379427 /nfs/dbraw/zinc/37/94/27/558379427.db2.gz DTOBOABTRBVVHL-AREMUKBSSA-N 2 1 422.617 4.508 50 0 HJAAMP COc1cc(C[N@@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)cc(Cl)c1O ZINC000012431277 558405730 /nfs/dbraw/zinc/40/57/30/558405730.db2.gz IPOIMCWMWVXMDH-UHFFFAOYSA-N 2 1 420.956 4.580 50 0 HJAAMP Fc1ccccc1C[NH+]1CCC(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)CC1 ZINC000012711879 558453019 /nfs/dbraw/zinc/45/30/19/558453019.db2.gz FMAPHMQNKMPONR-OAQYLSRUSA-N 2 1 402.579 4.780 50 0 HJAAMP CCOc1ccc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000012458834 568756359 /nfs/dbraw/zinc/75/63/59/568756359.db2.gz SETZZWDVIVRBLZ-VWLOTQADSA-N 2 1 400.607 4.721 50 0 HJAAMP COc1ccc(C[N@@H+](C)CC[C@]2(c3ccccc3)C[C@H](C)[NH+](C)C[C@@H]2C)cc1OC ZINC000252461934 569286824 /nfs/dbraw/zinc/28/68/24/569286824.db2.gz OJEZOEWJJBKOBO-WOVHNISZSA-N 2 1 410.602 4.824 50 0 biogenic HJAAMP COc1ccc(C[NH+](C)CC[C@]2(c3ccccc3)C[C@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000252461934 569286825 /nfs/dbraw/zinc/28/68/25/569286825.db2.gz OJEZOEWJJBKOBO-WOVHNISZSA-N 2 1 410.602 4.824 50 0 biogenic HJAAMP COc1ccc(C[NH+](C)CC[C@]2(c3ccccc3)C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000252461934 569286827 /nfs/dbraw/zinc/28/68/27/569286827.db2.gz OJEZOEWJJBKOBO-WOVHNISZSA-N 2 1 410.602 4.824 50 0 biogenic HJAAMP CC[NH+](CC)CCC[C@H](C)Nc1nc(Nc2ccc3[nH+]c(C)cc(N)c3c2)cc(C)[nH+]1 ZINC000001608585 557275854 /nfs/dbraw/zinc/27/58/54/557275854.db2.gz DEFBCZWQLILOJF-INIZCTEOSA-N 3 1 421.593 4.890 50 0 in-vitro HJAAMP Fc1ccccc1C[NH+]1CCC(C[N@H+](Cc2ccsc2)C[C@H]2CCCO2)CC1 ZINC000011817015 558280405 /nfs/dbraw/zinc/28/04/05/558280405.db2.gz GDRLSTXVOLIWLA-JOCHJYFZSA-N 2 1 402.579 4.780 50 0 HJAAMP CCn1nc(C)c(C[N@@H+](C)CC2CC[NH+](CCc3ccc(Cl)cc3)CC2)c1C ZINC000012716121 558455464 /nfs/dbraw/zinc/45/54/64/558455464.db2.gz GGORMWGBTZWVQH-UHFFFAOYSA-N 2 1 403.014 4.560 50 0 HJAAMP C[N@H+](Cc1nc2c(s1)CCCC2)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000023339984 558550655 /nfs/dbraw/zinc/55/06/55/558550655.db2.gz KNGXDZNDTFSSDI-UHFFFAOYSA-N 2 1 401.595 4.548 50 0 HJAAMP C[N@@H+](Cc1cccnc1)[C@H](Cc1ccccc1)C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000014999719 558697292 /nfs/dbraw/zinc/69/72/92/558697292.db2.gz SMXIYVHVPGBWLA-HHHXNRCGSA-N 2 1 415.581 4.743 50 0 HJAAMP Cc1cccc(-n2ccnc2C[N@@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)c1 ZINC000011663933 558267586 /nfs/dbraw/zinc/26/75/86/558267586.db2.gz BFRFZXGZVLHBFA-UHFFFAOYSA-N 2 1 420.576 4.706 50 0 HJAAMP CC(=O)c1cc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cs1 ZINC000012385514 558394530 /nfs/dbraw/zinc/39/45/30/558394530.db2.gz PAVXOGJRUOBMCP-QFIPXVFZSA-N 2 1 404.620 4.586 50 0 HJAAMP CC(=O)c1cc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cs1 ZINC000012385514 558394532 /nfs/dbraw/zinc/39/45/32/558394532.db2.gz PAVXOGJRUOBMCP-QFIPXVFZSA-N 2 1 404.620 4.586 50 0 HJAAMP Clc1ccc(CN2CCC[C@H]([NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)cc1 ZINC000020779578 558412429 /nfs/dbraw/zinc/41/24/29/558412429.db2.gz CJCBKRWIGJVWPD-VWLOTQADSA-N 2 1 412.021 4.601 50 0 HJAAMP CCn1ncc(C[N@H+]2CCCC23CCN(c2cc(C)[nH+]c4ccccc42)CC3)c1C ZINC000072480264 558984082 /nfs/dbraw/zinc/98/40/82/558984082.db2.gz SOQIBMZOCSDSMW-UHFFFAOYSA-N 2 1 403.574 4.703 50 0 HJAAMP CC1CCN(C(=O)CC[C@H]2C[N@H+](Cc3ccc4ccccc4c3)CC[C@H]2[NH+](C)C)CC1 ZINC000012280783 558365222 /nfs/dbraw/zinc/36/52/22/558365222.db2.gz LZSSOUFNXUTLTR-IZZNHLLZSA-N 2 1 421.629 4.631 50 0 HJAAMP CC1CCN(C(=O)CC[C@H]2C[N@@H+](Cc3ccc4ccccc4c3)CC[C@H]2[NH+](C)C)CC1 ZINC000012280783 558365223 /nfs/dbraw/zinc/36/52/23/558365223.db2.gz LZSSOUFNXUTLTR-IZZNHLLZSA-N 2 1 421.629 4.631 50 0 HJAAMP CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2ccccc2-c2ccco2)CC1 ZINC000012297458 558367615 /nfs/dbraw/zinc/36/76/15/558367615.db2.gz ALBRAEJUCWPUBU-QHCPKHFHSA-N 2 1 423.601 4.539 50 0 HJAAMP C[N@H+](Cc1c[nH]nc1-c1ccccc1)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000012305410 558374513 /nfs/dbraw/zinc/37/45/13/558374513.db2.gz ILQNKBRWLQFXCF-UHFFFAOYSA-N 2 1 406.549 4.602 50 0 HJAAMP c1cnn(-c2cccc(C[N@@H+](C[C@@H]3CCCO3)CC3CC[NH+](C4CCCC4)CC3)c2)c1 ZINC000012316001 558379324 /nfs/dbraw/zinc/37/93/24/558379324.db2.gz DTOBOABTRBVVHL-SANMLTNESA-N 2 1 422.617 4.508 50 0 HJAAMP COCC[N@@H+](Cc1nc(C(C)C)cs1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012473085 558422269 /nfs/dbraw/zinc/42/22/69/558422269.db2.gz CSLOXDUNVMHXOE-UHFFFAOYSA-N 2 1 419.610 4.766 50 0 HJAAMP COCC[N@H+](Cc1nc(C(C)C)cs1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012473085 558422271 /nfs/dbraw/zinc/42/22/71/558422271.db2.gz CSLOXDUNVMHXOE-UHFFFAOYSA-N 2 1 419.610 4.766 50 0 HJAAMP COc1ccccc1/C=C/C[N@@H+](C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012715425 558454933 /nfs/dbraw/zinc/45/49/33/558454933.db2.gz UXMCPSAVOMORJS-UPXASZCJSA-N 2 1 412.618 4.844 50 0 HJAAMP COCC[N@H+](Cc1ccc(O)c(Cl)c1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000011754166 558272749 /nfs/dbraw/zinc/27/27/49/558272749.db2.gz MUWIKGFBFFXFOM-UHFFFAOYSA-N 2 1 420.956 4.545 50 0 HJAAMP Cc1nn(C)cc1C[N@H+](C)[C@@H](Cc1ccccc1F)C1CC[NH+](CCC(C)C)CC1 ZINC000011868108 558289932 /nfs/dbraw/zinc/28/99/32/558289932.db2.gz CPMWPRNEALTJMS-VWLOTQADSA-N 2 1 414.613 4.669 50 0 HJAAMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cc4ccccc4o3)C2)cc1 ZINC000012298771 558368675 /nfs/dbraw/zinc/36/86/75/558368675.db2.gz JEHUPEDYXRCRIN-FQEVSTJZSA-N 2 1 414.509 4.778 50 0 HJAAMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cc4ccccc4o3)C2)cc1 ZINC000012298771 558368677 /nfs/dbraw/zinc/36/86/77/558368677.db2.gz JEHUPEDYXRCRIN-FQEVSTJZSA-N 2 1 414.509 4.778 50 0 HJAAMP c1csc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)c1 ZINC000011816565 558279871 /nfs/dbraw/zinc/27/98/71/558279871.db2.gz XAYPQRFJHUVAHF-XMMPIXPASA-N 2 1 410.627 4.609 50 0 HJAAMP Cc1ccccc1C[NH+]1CCC(C[N@H+](Cc2ccc(O)cc2)C[C@H]2CCCO2)CC1 ZINC000011879880 558294539 /nfs/dbraw/zinc/29/45/39/558294539.db2.gz IDHYXUDMAHBJBQ-AREMUKBSSA-N 2 1 408.586 4.594 50 0 HJAAMP Fc1ccc(F)c(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1F ZINC000012454748 558416791 /nfs/dbraw/zinc/41/67/91/558416791.db2.gz WNMDDDHXYRSAHS-LJQANCHMSA-N 2 1 410.524 4.740 50 0 HJAAMP Fc1ccc(F)c(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1F ZINC000012454748 558416794 /nfs/dbraw/zinc/41/67/94/558416794.db2.gz WNMDDDHXYRSAHS-LJQANCHMSA-N 2 1 410.524 4.740 50 0 HJAAMP CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000012583432 558433358 /nfs/dbraw/zinc/43/33/58/558433358.db2.gz KLZCEMIMDBJZHW-UHFFFAOYSA-N 2 1 419.613 4.622 50 0 HJAAMP COc1ccc(/C=C/C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000012717879 558455689 /nfs/dbraw/zinc/45/56/89/558455689.db2.gz JPDIPBAJHCLZKU-JFAKYYBVSA-N 2 1 412.618 4.844 50 0 HJAAMP Cc1cc(N2CCC3(CCC[N@@H+]3Cc3nccn3C(C)C)CC2)c2ccccc2[nH+]1 ZINC000072425749 558978981 /nfs/dbraw/zinc/97/89/81/558978981.db2.gz FZRHQCKIUOWCNQ-UHFFFAOYSA-N 2 1 403.574 4.956 50 0 HJAAMP Cc1cc(N2CCC3(CCC[N@@H+]3Cc3ccc(N(C)C)nc3)CC2)c2ccccc2[nH+]1 ZINC000072438708 558981478 /nfs/dbraw/zinc/98/14/78/558981478.db2.gz MZXLAZACWNKBJV-UHFFFAOYSA-N 2 1 415.585 4.639 50 0 HJAAMP Oc1ccc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1Cl ZINC000067833448 558993530 /nfs/dbraw/zinc/99/35/30/558993530.db2.gz JNJOCXNHJNCIRH-OAQYLSRUSA-N 2 1 406.998 4.681 50 0 HJAAMP OC[C@@]1(CCc2ccccc2)CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)s2)C1 ZINC000011816963 558280446 /nfs/dbraw/zinc/28/04/46/558280446.db2.gz OFVMXDZNRVHGFL-RUZDIDTESA-N 2 1 412.643 4.941 50 0 HJAAMP C[N@@H+](Cc1c[nH]nc1-c1cccc(F)c1)C[C@@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000020205455 558346804 /nfs/dbraw/zinc/34/68/04/558346804.db2.gz RJCGXRRJUWUPCH-FQEVSTJZSA-N 2 1 424.539 4.741 50 0 HJAAMP C[N@H+](Cc1c[nH]nc1-c1cccc(F)c1)C[C@@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000020205455 558346807 /nfs/dbraw/zinc/34/68/07/558346807.db2.gz RJCGXRRJUWUPCH-FQEVSTJZSA-N 2 1 424.539 4.741 50 0 HJAAMP C[NH+](Cc1c[nH]nc1-c1cccc(F)c1)C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000020205455 558346809 /nfs/dbraw/zinc/34/68/09/558346809.db2.gz RJCGXRRJUWUPCH-FQEVSTJZSA-N 2 1 424.539 4.741 50 0 HJAAMP C[NH+](Cc1c[nH]nc1-c1cccc(F)c1)C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000020205455 558346813 /nfs/dbraw/zinc/34/68/13/558346813.db2.gz RJCGXRRJUWUPCH-FQEVSTJZSA-N 2 1 424.539 4.741 50 0 HJAAMP Cn1c2ccccc2nc1C[N@@H+](C)CC1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000012314398 558377718 /nfs/dbraw/zinc/37/77/18/558377718.db2.gz QAPHMQPVTNZFFN-UHFFFAOYSA-N 2 1 410.993 4.613 50 0 HJAAMP Fc1ccccc1C[NH+]1CCC(C[N@@H+](C/C=C/c2ccco2)C[C@@H]2CCCO2)CC1 ZINC000014978967 558690495 /nfs/dbraw/zinc/69/04/95/558690495.db2.gz KISVYENXEMDNNA-MLENBVEFSA-N 2 1 412.549 4.825 50 0 HJAAMP COc1ccc(C[NH2+]CC[C@]2(Cc3ccccc3)C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000004751977 559049090 /nfs/dbraw/zinc/04/90/90/559049090.db2.gz FYBSRGAMRKRJQM-IPVFLDMMSA-N 2 1 410.602 4.773 50 0 HJAAMP FC(F)Oc1ccc2ccccc2c1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000017318269 560708822 /nfs/dbraw/zinc/70/88/22/560708822.db2.gz VSFUJZIIEZFZMG-UHFFFAOYSA-N 2 1 412.480 4.563 50 0 HJAAMP COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3ccc4cc(F)ccc4n3)CC2)cc1 ZINC000015071772 568749274 /nfs/dbraw/zinc/74/92/74/568749274.db2.gz PVRHFXGENXAKGU-UHFFFAOYSA-N 2 1 421.560 4.769 50 0 HJAAMP c1cc(-c2nc([C@H]3C[C@@H](c4ccccc4)[N@H+]4CCC[C@H]34)no2)oc1C[NH+]1CCCC1 ZINC000299788870 568875627 /nfs/dbraw/zinc/87/56/27/568875627.db2.gz TZWSIRLPFDVJAT-HBMCJLEFSA-N 2 1 404.514 4.618 50 0 HJAAMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccc(OC)cc3)nc2-c2ccccc2Cl)C1 ZINC000013636814 558554767 /nfs/dbraw/zinc/55/47/67/558554767.db2.gz ZRGMBGUBVCLYCQ-GOSISDBHSA-N 2 1 424.976 4.633 50 0 HJAAMP COC(=O)c1ccc(C[N@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000055225963 558876646 /nfs/dbraw/zinc/87/66/46/558876646.db2.gz OLRYPHVQWUVBMD-UHFFFAOYSA-N 2 1 421.585 4.525 50 0 HJAAMP CC[N@H+](Cc1cccc(OC2CCCC2)c1)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000011818146 558281582 /nfs/dbraw/zinc/28/15/82/558281582.db2.gz JBSNERSFICUKHI-UHFFFAOYSA-N 2 1 413.650 4.636 50 0 HJAAMP CC[N@@H+](Cc1cccc(OC2CCCC2)c1)CC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000011818146 558281583 /nfs/dbraw/zinc/28/15/83/558281583.db2.gz JBSNERSFICUKHI-UHFFFAOYSA-N 3 1 413.650 4.636 50 0 HJAAMP CC[N@H+](Cc1cccc(OC2CCCC2)c1)CC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000011818146 558281584 /nfs/dbraw/zinc/28/15/84/558281584.db2.gz JBSNERSFICUKHI-UHFFFAOYSA-N 3 1 413.650 4.636 50 0 HJAAMP COc1ccc(OC)c(C[N@@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000011932764 558297772 /nfs/dbraw/zinc/29/77/72/558297772.db2.gz RKRUNBCBDAENCB-UHFFFAOYSA-N 2 1 423.601 4.756 50 0 HJAAMP COc1ccc(OC)c(C[N@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000011932764 558297773 /nfs/dbraw/zinc/29/77/73/558297773.db2.gz RKRUNBCBDAENCB-UHFFFAOYSA-N 2 1 423.601 4.756 50 0 HJAAMP COc1ccc(CC[N@@H+](C/C=C/c2ccccc2OC)CC2CC[NH+](C)CC2)cc1 ZINC000012090753 558323946 /nfs/dbraw/zinc/32/39/46/558323946.db2.gz DHGDKKFSZMWBSR-SOFGYWHQSA-N 2 1 408.586 4.604 50 0 HJAAMP FC(F)Oc1ccccc1C[N@@H+](C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012593869 558436603 /nfs/dbraw/zinc/43/66/03/558436603.db2.gz ASPDSDRJJZLVRQ-QFIPXVFZSA-N 2 1 422.560 4.924 50 0 HJAAMP COc1ccc(C[N@@H+](C)CC[C@]2(c3ccccc3)C[C@@H](C)[NH+](C)C[C@@H]2C)cc1OC ZINC000012296218 568462271 /nfs/dbraw/zinc/46/22/71/568462271.db2.gz OJEZOEWJJBKOBO-UZINWLIJSA-N 2 1 410.602 4.824 50 0 biogenic HJAAMP COc1ccc(C[NH+](C)CC[C@]2(c3ccccc3)C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000012296218 568462272 /nfs/dbraw/zinc/46/22/72/568462272.db2.gz OJEZOEWJJBKOBO-UZINWLIJSA-N 2 1 410.602 4.824 50 0 biogenic HJAAMP COc1ccc(C[NH+](C)CC[C@]2(c3ccccc3)C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000012296218 568462274 /nfs/dbraw/zinc/46/22/74/568462274.db2.gz OJEZOEWJJBKOBO-UZINWLIJSA-N 2 1 410.602 4.824 50 0 biogenic HJAAMP Cc1ccc(C(=O)N(CC[NH+]2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)s1 ZINC000012051720 558314404 /nfs/dbraw/zinc/31/44/04/558314404.db2.gz GTQXIOWLGLBUQL-NRFANRHFSA-N 2 1 417.663 4.639 50 0 HJAAMP C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]Cc2cccc(Cl)c2)cc1 ZINC000012058351 558316774 /nfs/dbraw/zinc/31/67/74/558316774.db2.gz WBHSNXGNQUDTRS-DEOSSOPVSA-N 2 1 424.972 4.502 50 0 HJAAMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(-c4cccc(C)c4)cc3)CC2)CC1 ZINC000020451150 558365755 /nfs/dbraw/zinc/36/57/55/558365755.db2.gz LCOFFWIUSOJGOO-UHFFFAOYSA-N 2 1 405.586 4.797 50 0 HJAAMP C[N@@H+](Cc1c[nH]nc1-c1ccccc1)C[C@@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000012304915 558374122 /nfs/dbraw/zinc/37/41/22/558374122.db2.gz GQHMAXASOPVKLB-NRFANRHFSA-N 2 1 406.549 4.602 50 0 HJAAMP C[N@H+](Cc1c[nH]nc1-c1ccccc1)C[C@@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000012304915 558374125 /nfs/dbraw/zinc/37/41/25/558374125.db2.gz GQHMAXASOPVKLB-NRFANRHFSA-N 2 1 406.549 4.602 50 0 HJAAMP C[NH+](Cc1c[nH]nc1-c1ccccc1)C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000012304915 558374128 /nfs/dbraw/zinc/37/41/28/558374128.db2.gz GQHMAXASOPVKLB-NRFANRHFSA-N 2 1 406.549 4.602 50 0 HJAAMP C[NH+](Cc1c[nH]nc1-c1ccccc1)C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000012304915 558374131 /nfs/dbraw/zinc/37/41/31/558374131.db2.gz GQHMAXASOPVKLB-NRFANRHFSA-N 2 1 406.549 4.602 50 0 HJAAMP CN1CCC([NH+]2CCC(C[N@@H+](CCCC3CCCC3)Cc3ccncc3)CC2)CC1 ZINC000023338518 558550339 /nfs/dbraw/zinc/55/03/39/558550339.db2.gz YQGXFVAEUYMLMR-UHFFFAOYSA-N 2 1 412.666 4.660 50 0 HJAAMP C[NH+]1CCC([NH+]2CCC(C[N@H+](CCCC3CCCC3)Cc3ccncc3)CC2)CC1 ZINC000023338518 558550343 /nfs/dbraw/zinc/55/03/43/558550343.db2.gz YQGXFVAEUYMLMR-UHFFFAOYSA-N 3 1 412.666 4.660 50 0 HJAAMP C[NH+]1CCC([NH+]2CCC(C[N@@H+](CCCC3CCCC3)Cc3ccncc3)CC2)CC1 ZINC000023338518 558550346 /nfs/dbraw/zinc/55/03/46/558550346.db2.gz YQGXFVAEUYMLMR-UHFFFAOYSA-N 3 1 412.666 4.660 50 0 HJAAMP c1cc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)n(-c2cccnc2)c1 ZINC000015073369 558714204 /nfs/dbraw/zinc/71/42/04/558714204.db2.gz XVSHGDURKJAKSY-AREMUKBSSA-N 2 1 422.617 4.508 50 0 HJAAMP COc1ccc(CC[N@H+](Cc2cccc3ncccc23)CC2CC[NH+](C)CC2)cc1 ZINC000019218999 558851348 /nfs/dbraw/zinc/85/13/48/558851348.db2.gz QZPFHLJXAXRZSJ-UHFFFAOYSA-N 2 1 403.570 4.630 50 0 HJAAMP O=C(Nc1ccc(F)cc1)[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000009503027 571263535 /nfs/dbraw/zinc/26/35/35/571263535.db2.gz PSFJIJNVBUGJGH-RUZDIDTESA-N 2 1 417.528 4.891 50 0 HJAAMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3sc(N4CCCC4)nc3Cl)CC2)o1 ZINC000011842998 558287965 /nfs/dbraw/zinc/28/79/65/558287965.db2.gz ALJQALRSKDUSKX-UHFFFAOYSA-N 2 1 423.026 4.642 50 0 HJAAMP C(=C/c1ccco1)\C[N@@H+](C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012756954 558460380 /nfs/dbraw/zinc/46/03/80/558460380.db2.gz BCZZAPLMCNLTPJ-NJPAJDIVSA-N 2 1 420.597 4.653 50 0 HJAAMP c1nn(-c2ccccc2)cc1C[N@@H+](C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000023153291 558539238 /nfs/dbraw/zinc/53/92/38/558539238.db2.gz ANBLQTJGLRHWRV-SANMLTNESA-N 2 1 422.617 4.508 50 0 HJAAMP Oc1ccc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1Cl ZINC000067833447 558993536 /nfs/dbraw/zinc/99/35/36/558993536.db2.gz JNJOCXNHJNCIRH-NRFANRHFSA-N 2 1 406.998 4.681 50 0 HJAAMP Cc1cccc2cc(C[NH2+]Cc3ccccc3Cl)c(N3CC[N@@H+]4CCC[C@@H]4C3)nc12 ZINC000014980618 568581207 /nfs/dbraw/zinc/58/12/07/568581207.db2.gz ZMNHRHMLUYZADW-JOCHJYFZSA-N 2 1 420.988 4.771 50 0 HJAAMP Cc1cccc2cc(C[NH2+]Cc3ccccc3Cl)c(N3CC[N@H+]4CCC[C@@H]4C3)nc12 ZINC000014980618 568581208 /nfs/dbraw/zinc/58/12/08/568581208.db2.gz ZMNHRHMLUYZADW-JOCHJYFZSA-N 2 1 420.988 4.771 50 0 HJAAMP COc1ccc(C[N@@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)c(F)c1 ZINC000011821835 558285072 /nfs/dbraw/zinc/28/50/72/558285072.db2.gz BDTRLGRDFNEJRU-UHFFFAOYSA-N 2 1 411.565 4.886 50 0 HJAAMP COc1ccc(C[N@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)c(F)c1 ZINC000011821835 558285075 /nfs/dbraw/zinc/28/50/75/558285075.db2.gz BDTRLGRDFNEJRU-UHFFFAOYSA-N 2 1 411.565 4.886 50 0 HJAAMP c1[nH]nc(-c2ccccc2)c1C[N@@H+](C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000011932932 558297562 /nfs/dbraw/zinc/29/75/62/558297562.db2.gz KUUHKWALCXDGRV-VWLOTQADSA-N 2 1 422.617 4.712 50 0 HJAAMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cc4ccccc4o3)C2)cc1 ZINC000012298770 558368644 /nfs/dbraw/zinc/36/86/44/558368644.db2.gz JEHUPEDYXRCRIN-HXUWFJFHSA-N 2 1 414.509 4.778 50 0 HJAAMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cc4ccccc4o3)C2)cc1 ZINC000012298770 558368647 /nfs/dbraw/zinc/36/86/47/558368647.db2.gz JEHUPEDYXRCRIN-HXUWFJFHSA-N 2 1 414.509 4.778 50 0 HJAAMP COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3nc(C(C)C)cs3)CC2)cc1 ZINC000012303250 558372961 /nfs/dbraw/zinc/37/29/61/558372961.db2.gz QVNVKQACHQFANT-UHFFFAOYSA-N 2 1 401.620 4.662 50 0 HJAAMP CCOc1ccccc1C[N@@H+](C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012750571 558459081 /nfs/dbraw/zinc/45/90/81/558459081.db2.gz DVWVPFFIWTZPIH-DEOSSOPVSA-N 2 1 400.607 4.721 50 0 HJAAMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3nc(-c4ccc(Cl)cc4)no3)CC2)o1 ZINC000015071646 558713314 /nfs/dbraw/zinc/71/33/14/558713314.db2.gz JFFACNIYYKHCPX-UHFFFAOYSA-N 2 1 414.937 4.635 50 0 HJAAMP Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(NC[C@@H]3CC[N@@H+](C(C)C)C3)c2c1C ZINC000058196675 558910938 /nfs/dbraw/zinc/91/09/38/558910938.db2.gz FWPXIPGOHPKRIA-IBGZPJMESA-N 2 1 415.651 4.682 50 0 HJAAMP Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(NC[C@@H]3CC[N@H+](C(C)C)C3)c2c1C ZINC000058196675 558910941 /nfs/dbraw/zinc/91/09/41/558910941.db2.gz FWPXIPGOHPKRIA-IBGZPJMESA-N 2 1 415.651 4.682 50 0 HJAAMP CCCn1ccnc1C[N@H+]1CCCC12CCN(c1cc(C)[nH+]c3ccccc31)CC2 ZINC000072412181 558977723 /nfs/dbraw/zinc/97/77/23/558977723.db2.gz NKHCEUINENQSJK-UHFFFAOYSA-N 2 1 403.574 4.785 50 0 HJAAMP COc1cc(C[N@@H+](C)CC2CC[NH+](CCc3ccc(F)cc3)CC2)cc(Cl)c1O ZINC000011817313 559260512 /nfs/dbraw/zinc/26/05/12/559260512.db2.gz HUNOXXMKEDPHNR-UHFFFAOYSA-N 2 1 420.956 4.580 50 0 HJAAMP COc1ccc(C[N@@H+](C)CC[C@]2(c3ccccc3)C[C@H](C)[NH+](C)C[C@H]2C)cc1OC ZINC000005358875 560571413 /nfs/dbraw/zinc/57/14/13/560571413.db2.gz OJEZOEWJJBKOBO-SWYRRKHMSA-N 2 1 410.602 4.824 50 0 biogenic HJAAMP COc1ccc(C[NH+](C)CC[C@]2(c3ccccc3)C[C@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000005358875 560571415 /nfs/dbraw/zinc/57/14/15/560571415.db2.gz OJEZOEWJJBKOBO-SWYRRKHMSA-N 2 1 410.602 4.824 50 0 biogenic HJAAMP COc1ccc(C[NH+](C)CC[C@]2(c3ccccc3)C[C@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000005358875 560571416 /nfs/dbraw/zinc/57/14/16/560571416.db2.gz OJEZOEWJJBKOBO-SWYRRKHMSA-N 2 1 410.602 4.824 50 0 biogenic HJAAMP CC(=O)Nc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CCCc2ccccc2)C3)cc1 ZINC000055253197 569396729 /nfs/dbraw/zinc/39/67/29/569396729.db2.gz IKYPYGRYUBGLRO-AREMUKBSSA-N 2 1 405.586 4.566 50 0 HJAAMP CC(=O)Nc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CCCc2ccccc2)C3)cc1 ZINC000055253197 569396731 /nfs/dbraw/zinc/39/67/31/569396731.db2.gz IKYPYGRYUBGLRO-AREMUKBSSA-N 2 1 405.586 4.566 50 0 HJAAMP CC(=O)Nc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)cc1 ZINC000055253197 569396732 /nfs/dbraw/zinc/39/67/32/569396732.db2.gz IKYPYGRYUBGLRO-AREMUKBSSA-N 2 1 405.586 4.566 50 0 HJAAMP CC(=O)Nc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CCCc2ccccc2)C3)cc1 ZINC000055253197 569396734 /nfs/dbraw/zinc/39/67/34/569396734.db2.gz IKYPYGRYUBGLRO-AREMUKBSSA-N 2 1 405.586 4.566 50 0 HJAAMP COc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)cc1OC ZINC000011932789 558297759 /nfs/dbraw/zinc/29/77/59/558297759.db2.gz SKFXVEATCCHECZ-NRFANRHFSA-N 2 1 416.993 4.744 50 0 HJAAMP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)cc1OC ZINC000011932789 558297761 /nfs/dbraw/zinc/29/77/61/558297761.db2.gz SKFXVEATCCHECZ-NRFANRHFSA-N 2 1 416.993 4.744 50 0 HJAAMP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)cc1OC ZINC000011932789 558297763 /nfs/dbraw/zinc/29/77/63/558297763.db2.gz SKFXVEATCCHECZ-NRFANRHFSA-N 2 1 416.993 4.744 50 0 HJAAMP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)cc1OC ZINC000011932789 558297764 /nfs/dbraw/zinc/29/77/64/558297764.db2.gz SKFXVEATCCHECZ-NRFANRHFSA-N 2 1 416.993 4.744 50 0 HJAAMP Cc1ccccc1CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2c[nH]nc2-c2ccccc2)C1 ZINC000012305093 558374199 /nfs/dbraw/zinc/37/41/99/558374199.db2.gz VYCADAVNZVLTHT-QFIPXVFZSA-N 2 1 402.586 4.772 50 0 HJAAMP Cc1ccccc1CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2c[nH]nc2-c2ccccc2)C1 ZINC000012305093 558374201 /nfs/dbraw/zinc/37/42/01/558374201.db2.gz VYCADAVNZVLTHT-QFIPXVFZSA-N 2 1 402.586 4.772 50 0 HJAAMP Cc1ccccc1CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2c[nH]nc2-c2ccccc2)C1 ZINC000012305093 558374206 /nfs/dbraw/zinc/37/42/06/558374206.db2.gz VYCADAVNZVLTHT-QFIPXVFZSA-N 2 1 402.586 4.772 50 0 HJAAMP Cc1ccccc1CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2c[nH]nc2-c2ccccc2)C1 ZINC000012305093 558374209 /nfs/dbraw/zinc/37/42/09/558374209.db2.gz VYCADAVNZVLTHT-QFIPXVFZSA-N 2 1 402.586 4.772 50 0 HJAAMP C[N@@H+](Cc1c[nH]nc1-c1ccccc1)C[C@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000012304916 558374234 /nfs/dbraw/zinc/37/42/34/558374234.db2.gz GQHMAXASOPVKLB-OAQYLSRUSA-N 2 1 406.549 4.602 50 0 HJAAMP C[N@H+](Cc1c[nH]nc1-c1ccccc1)C[C@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000012304916 558374236 /nfs/dbraw/zinc/37/42/36/558374236.db2.gz GQHMAXASOPVKLB-OAQYLSRUSA-N 2 1 406.549 4.602 50 0 HJAAMP C[NH+](Cc1c[nH]nc1-c1ccccc1)C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000012304916 558374240 /nfs/dbraw/zinc/37/42/40/558374240.db2.gz GQHMAXASOPVKLB-OAQYLSRUSA-N 2 1 406.549 4.602 50 0 HJAAMP C[NH+](Cc1c[nH]nc1-c1ccccc1)C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000012304916 558374244 /nfs/dbraw/zinc/37/42/44/558374244.db2.gz GQHMAXASOPVKLB-OAQYLSRUSA-N 2 1 406.549 4.602 50 0 HJAAMP Cc1cc(C)n(-c2cccc(C[N@@H+](C)CC3CC[NH+](Cc4ccc(C)o4)CC3)c2)n1 ZINC000012387111 558395868 /nfs/dbraw/zinc/39/58/68/558395868.db2.gz MVNWQRIRYQGVTI-UHFFFAOYSA-N 2 1 406.574 4.735 50 0 HJAAMP CC(C)Cc1cc(C[N@@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)[nH]n1 ZINC000055283380 558878412 /nfs/dbraw/zinc/87/84/12/558878412.db2.gz NNBISDAMXDTYFP-UHFFFAOYSA-N 2 1 409.622 4.660 50 0 HJAAMP CC(C)Cc1cc(C[N@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)[nH]n1 ZINC000055283380 558878414 /nfs/dbraw/zinc/87/84/14/558878414.db2.gz NNBISDAMXDTYFP-UHFFFAOYSA-N 2 1 409.622 4.660 50 0 HJAAMP C(=C/c1ccccc1)\C[N@@H+]1CCC[C@@H](c2ccnc(SCC[NH+]3CCCC3)n2)C1 ZINC000014958478 568485314 /nfs/dbraw/zinc/48/53/14/568485314.db2.gz WTRUHZRRVMSYSB-MOVYNIQHSA-N 2 1 408.615 4.557 50 0 HJAAMP Cc1nn(C)cc1C[N@H+](C)[C@H](Cc1ccccc1F)C1CC[NH+](CCC(C)C)CC1 ZINC000011868106 558290012 /nfs/dbraw/zinc/29/00/12/558290012.db2.gz CPMWPRNEALTJMS-RUZDIDTESA-N 2 1 414.613 4.669 50 0 HJAAMP c1cc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)n(-c2ccccn2)c1 ZINC000011937997 558301604 /nfs/dbraw/zinc/30/16/04/558301604.db2.gz OEGOWEPEKPZUTD-VWLOTQADSA-N 2 1 422.617 4.508 50 0 HJAAMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccc(OC)cc3)nc2-c2ccccc2Cl)C1 ZINC000013636811 558554672 /nfs/dbraw/zinc/55/46/72/558554672.db2.gz ZRGMBGUBVCLYCQ-SFHVURJKSA-N 2 1 424.976 4.633 50 0 HJAAMP c1cncc(C[N@H+](Cc2ccc3nsnc3c2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000055132705 558873590 /nfs/dbraw/zinc/87/35/90/558873590.db2.gz FRFMUEICCZWMNX-UHFFFAOYSA-N 2 1 421.614 4.743 50 0 HJAAMP COc1cc(C[N@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)ccc1F ZINC000055167507 558874812 /nfs/dbraw/zinc/87/48/12/558874812.db2.gz REVVJNLQTONLCF-UHFFFAOYSA-N 2 1 411.565 4.886 50 0 HJAAMP CCc1ccc(-c2noc(C[NH+]3CCC(C[N@H+](C)Cc4ccccc4)CC3)n2)cc1 ZINC000058296568 558917146 /nfs/dbraw/zinc/91/71/46/558917146.db2.gz LSJJZQMSWFTRRR-UHFFFAOYSA-N 2 1 404.558 4.643 50 0 HJAAMP CCc1ccc(-c2noc(C[NH+]3CCC(C[N@@H+](C)Cc4ccccc4)CC3)n2)cc1 ZINC000058296568 558917149 /nfs/dbraw/zinc/91/71/49/558917149.db2.gz LSJJZQMSWFTRRR-UHFFFAOYSA-N 2 1 404.558 4.643 50 0 HJAAMP COc1ccc(C[N@@H+](C)CC[C@]2(c3ccccc3)C[C@@H](C)[NH+](C)C[C@H]2C)cc1OC ZINC000005355911 560569455 /nfs/dbraw/zinc/56/94/55/560569455.db2.gz OJEZOEWJJBKOBO-YPCDYVTLSA-N 2 1 410.602 4.824 50 0 biogenic HJAAMP COc1ccc(C[NH+](C)CC[C@]2(c3ccccc3)C[C@@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000005355911 560569456 /nfs/dbraw/zinc/56/94/56/560569456.db2.gz OJEZOEWJJBKOBO-YPCDYVTLSA-N 2 1 410.602 4.824 50 0 biogenic HJAAMP COc1ccc(C[NH+](C)CC[C@]2(c3ccccc3)C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000005355911 560569458 /nfs/dbraw/zinc/56/94/58/560569458.db2.gz OJEZOEWJJBKOBO-YPCDYVTLSA-N 2 1 410.602 4.824 50 0 biogenic HJAAMP C[N@H+](Cc1ccccc1NC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1)C1CCCCC1 ZINC000040103365 571163888 /nfs/dbraw/zinc/16/38/88/571163888.db2.gz AETPPXIRWVQIAR-VWLOTQADSA-N 2 1 420.601 4.972 50 0 HJAAMP C[N@@H+](Cc1ccccc1NC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1)C1CCCCC1 ZINC000040103365 571163890 /nfs/dbraw/zinc/16/38/90/571163890.db2.gz AETPPXIRWVQIAR-VWLOTQADSA-N 2 1 420.601 4.972 50 0 HJAAMP C[NH+](Cc1ccccc1NC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)C1CCCCC1 ZINC000040103365 571163891 /nfs/dbraw/zinc/16/38/91/571163891.db2.gz AETPPXIRWVQIAR-VWLOTQADSA-N 2 1 420.601 4.972 50 0 HJAAMP C[NH+](Cc1ccccc1NC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)C1CCCCC1 ZINC000040103365 571163894 /nfs/dbraw/zinc/16/38/94/571163894.db2.gz AETPPXIRWVQIAR-VWLOTQADSA-N 2 1 420.601 4.972 50 0 HJAAMP C(c1nc2c(s1)CCCC2)[N@@H+](C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012298025 558367885 /nfs/dbraw/zinc/36/78/85/558367885.db2.gz VMUIGPHRNFSGTG-OAQYLSRUSA-N 2 1 417.663 4.658 50 0 HJAAMP CCOc1cc(C[N@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)ccc1O ZINC000012448011 558415149 /nfs/dbraw/zinc/41/51/49/558415149.db2.gz JSNXODXQZWCVPM-UHFFFAOYSA-N 2 1 423.601 4.843 50 0 HJAAMP COc1ccc(C[NH2+]CC[C@]2(Cc3ccccc3)C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000013475960 558618400 /nfs/dbraw/zinc/61/84/00/558618400.db2.gz FYBSRGAMRKRJQM-LZCXECNNSA-N 2 1 410.602 4.773 50 0 HJAAMP c1cc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)n(-c2ccccn2)c1 ZINC000011937998 558301551 /nfs/dbraw/zinc/30/15/51/558301551.db2.gz OEGOWEPEKPZUTD-RUZDIDTESA-N 2 1 422.617 4.508 50 0 HJAAMP CCCn1ncc(C[N@@H+](C)CC2CC[NH+](CCc3ccc(Cl)cc3)CC2)c1C ZINC000012386657 558395551 /nfs/dbraw/zinc/39/55/51/558395551.db2.gz SHEWYFYGTZBEST-UHFFFAOYSA-N 2 1 403.014 4.641 50 0 HJAAMP COc1cccc(OC)c1C[N@@H+](Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012448143 558415399 /nfs/dbraw/zinc/41/53/99/558415399.db2.gz KJXDEEGLNTVNKB-UHFFFAOYSA-N 2 1 423.601 4.756 50 0 HJAAMP COc1cccc(OC)c1C[N@H+](Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012448143 558415402 /nfs/dbraw/zinc/41/54/02/558415402.db2.gz KJXDEEGLNTVNKB-UHFFFAOYSA-N 2 1 423.601 4.756 50 0 HJAAMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCC[N@H+](C/C=C/c3ccc(F)cc3)C2)cc1 ZINC000015075106 558715519 /nfs/dbraw/zinc/71/55/19/558715519.db2.gz BOBUSJGJJBRHIF-XAFBZQIESA-N 2 1 418.516 4.684 50 0 HJAAMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCC[N@@H+](C/C=C/c3ccc(F)cc3)C2)cc1 ZINC000015075106 558715524 /nfs/dbraw/zinc/71/55/24/558715524.db2.gz BOBUSJGJJBRHIF-XAFBZQIESA-N 2 1 418.516 4.684 50 0 HJAAMP O=C(Nc1ccc(F)cc1)[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000009503024 571263553 /nfs/dbraw/zinc/26/35/53/571263553.db2.gz PSFJIJNVBUGJGH-VWLOTQADSA-N 2 1 417.528 4.891 50 0 HJAAMP C[NH+]1CCC(C[N@@H+](CCc2ccccc2)Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000011663462 558267373 /nfs/dbraw/zinc/26/73/73/558267373.db2.gz APDXUFJBTZIMSN-UHFFFAOYSA-N 2 1 406.549 4.602 50 0 HJAAMP COc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)cc1OC ZINC000011932790 558297621 /nfs/dbraw/zinc/29/76/21/558297621.db2.gz SKFXVEATCCHECZ-OAQYLSRUSA-N 2 1 416.993 4.744 50 0 HJAAMP COc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)cc1OC ZINC000011932790 558297623 /nfs/dbraw/zinc/29/76/23/558297623.db2.gz SKFXVEATCCHECZ-OAQYLSRUSA-N 2 1 416.993 4.744 50 0 HJAAMP COc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)cc1OC ZINC000011932790 558297627 /nfs/dbraw/zinc/29/76/27/558297627.db2.gz SKFXVEATCCHECZ-OAQYLSRUSA-N 2 1 416.993 4.744 50 0 HJAAMP COc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)cc1OC ZINC000011932790 558297630 /nfs/dbraw/zinc/29/76/30/558297630.db2.gz SKFXVEATCCHECZ-OAQYLSRUSA-N 2 1 416.993 4.744 50 0 HJAAMP CC[N@@H+](Cc1cccn1-c1cccnc1)C[C@@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000020454776 558368659 /nfs/dbraw/zinc/36/86/59/558368659.db2.gz IJTGECOXMGFZGQ-QHCPKHFHSA-N 2 1 420.576 4.788 50 0 HJAAMP CC[N@H+](Cc1cccn1-c1cccnc1)C[C@@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000020454776 558368663 /nfs/dbraw/zinc/36/86/63/558368663.db2.gz IJTGECOXMGFZGQ-QHCPKHFHSA-N 2 1 420.576 4.788 50 0 HJAAMP CC[NH+](Cc1cccn1-c1cccnc1)C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000020454776 558368666 /nfs/dbraw/zinc/36/86/66/558368666.db2.gz IJTGECOXMGFZGQ-QHCPKHFHSA-N 2 1 420.576 4.788 50 0 HJAAMP CC[NH+](Cc1cccn1-c1cccnc1)C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000020454776 558368668 /nfs/dbraw/zinc/36/86/68/558368668.db2.gz IJTGECOXMGFZGQ-QHCPKHFHSA-N 2 1 420.576 4.788 50 0 HJAAMP Cc1ccccc1CC[NH+]1CCC[C@H](C[N@@H+](C)Cc2c[nH]nc2-c2ccccc2)C1 ZINC000012305095 558374261 /nfs/dbraw/zinc/37/42/61/558374261.db2.gz VYCADAVNZVLTHT-JOCHJYFZSA-N 2 1 402.586 4.772 50 0 HJAAMP Cc1ccccc1CC[NH+]1CCC[C@H](C[N@H+](C)Cc2c[nH]nc2-c2ccccc2)C1 ZINC000012305095 558374263 /nfs/dbraw/zinc/37/42/63/558374263.db2.gz VYCADAVNZVLTHT-JOCHJYFZSA-N 2 1 402.586 4.772 50 0 HJAAMP Cc1ccccc1CC[N@H+]1CCC[C@H](C[NH+](C)Cc2c[nH]nc2-c2ccccc2)C1 ZINC000012305095 558374267 /nfs/dbraw/zinc/37/42/67/558374267.db2.gz VYCADAVNZVLTHT-JOCHJYFZSA-N 2 1 402.586 4.772 50 0 HJAAMP Cc1ccccc1CC[N@@H+]1CCC[C@H](C[NH+](C)Cc2c[nH]nc2-c2ccccc2)C1 ZINC000012305095 558374272 /nfs/dbraw/zinc/37/42/72/558374272.db2.gz VYCADAVNZVLTHT-JOCHJYFZSA-N 2 1 402.586 4.772 50 0 HJAAMP Cc1sc2nc(C[NH+]3CCCC3)nc(NCc3ccc(C[NH+](C)C)cc3)c2c1C ZINC000012798815 558470616 /nfs/dbraw/zinc/47/06/16/558470616.db2.gz UKSIFKJCKRCAQX-UHFFFAOYSA-N 2 1 409.603 4.578 50 0 HJAAMP COc1ccc(/C=C/C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccccc3OC)C2)cc1 ZINC000014949384 558680459 /nfs/dbraw/zinc/68/04/59/558680459.db2.gz WECOUGNCMQPXNM-DRGXBFSJSA-N 2 1 408.586 4.604 50 0 HJAAMP COc1ccc(/C=C/C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccccc3OC)C2)cc1 ZINC000014949384 558680463 /nfs/dbraw/zinc/68/04/63/558680463.db2.gz WECOUGNCMQPXNM-DRGXBFSJSA-N 2 1 408.586 4.604 50 0 HJAAMP COc1ccc(/C=C/C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccccc3OC)C2)cc1 ZINC000014949384 558680466 /nfs/dbraw/zinc/68/04/66/558680466.db2.gz WECOUGNCMQPXNM-DRGXBFSJSA-N 2 1 408.586 4.604 50 0 HJAAMP COc1ccc(F)c(C[N@@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000055211494 558876010 /nfs/dbraw/zinc/87/60/10/558876010.db2.gz QYCAGHAKEIPNGU-UHFFFAOYSA-N 2 1 411.565 4.886 50 0 HJAAMP COc1ccc(F)c(C[N@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000055211494 558876011 /nfs/dbraw/zinc/87/60/11/558876011.db2.gz QYCAGHAKEIPNGU-UHFFFAOYSA-N 2 1 411.565 4.886 50 0 HJAAMP CCOc1cc(C[N@@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)ccc1OC ZINC000011814905 558279008 /nfs/dbraw/zinc/27/90/08/558279008.db2.gz UDZAIBUBOISPCU-UHFFFAOYSA-N 2 1 414.565 4.620 50 0 HJAAMP CC(C)C[NH+]1CCC(C[N@H+](C)Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000011816107 558279512 /nfs/dbraw/zinc/27/95/12/558279512.db2.gz NJUVIFZLBHMOFN-UHFFFAOYSA-N 2 1 410.484 4.555 50 0 HJAAMP CC(C)C[NH+]1CCC(C[N@@H+](C)Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000011816107 558279516 /nfs/dbraw/zinc/27/95/16/558279516.db2.gz NJUVIFZLBHMOFN-UHFFFAOYSA-N 2 1 410.484 4.555 50 0 HJAAMP CC[N@H+](Cc1ccc(NC(C)=O)cc1)CC1CC[NH+](CCc2ccccc2C)CC1 ZINC000011818322 558281578 /nfs/dbraw/zinc/28/15/78/558281578.db2.gz PJKUYEGOCNYVOR-UHFFFAOYSA-N 2 1 407.602 4.730 50 0 HJAAMP COc1ccc(/C=C/C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000012717881 558455668 /nfs/dbraw/zinc/45/56/68/558455668.db2.gz JPDIPBAJHCLZKU-CKUSHTOWSA-N 2 1 412.618 4.844 50 0 HJAAMP COc1ccc(C[NH2+]CC[C@]2(Cc3ccccc3)C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000013475964 558618374 /nfs/dbraw/zinc/61/83/74/558618374.db2.gz FYBSRGAMRKRJQM-ISJBWFOZSA-N 2 1 410.602 4.773 50 0 HJAAMP CCn1cc(C[N@@H+](Cc2cccnc2)CC2CC[NH+](Cc3ccccc3C)CC2)cn1 ZINC000055271184 558878073 /nfs/dbraw/zinc/87/80/73/558878073.db2.gz FJZLWUMDWKAMGN-UHFFFAOYSA-N 2 1 417.601 4.521 50 0 HJAAMP CCn1cc(C[N@H+](Cc2cccnc2)CC2CC[NH+](Cc3ccccc3C)CC2)cn1 ZINC000055271184 558878075 /nfs/dbraw/zinc/87/80/75/558878075.db2.gz FJZLWUMDWKAMGN-UHFFFAOYSA-N 2 1 417.601 4.521 50 0 HJAAMP C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000012314791 568466360 /nfs/dbraw/zinc/46/63/60/568466360.db2.gz ZUOQTBUTCOYDFC-DEOSSOPVSA-N 2 1 424.972 4.502 50 0 HJAAMP Cc1ccc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)o1 ZINC000011705174 558270848 /nfs/dbraw/zinc/27/08/48/558270848.db2.gz BKMLTSCUMQSIFE-JOCHJYFZSA-N 2 1 400.538 4.620 50 0 HJAAMP Fc1ccccc1C[NH+]1CCC(C[N@H+](Cc2ccsc2)C[C@@H]2CCCO2)CC1 ZINC000011817014 558280419 /nfs/dbraw/zinc/28/04/19/558280419.db2.gz GDRLSTXVOLIWLA-QFIPXVFZSA-N 2 1 402.579 4.780 50 0 HJAAMP c1[nH]nc(-c2ccccc2)c1C[N@@H+](C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000011932933 558297726 /nfs/dbraw/zinc/29/77/26/558297726.db2.gz KUUHKWALCXDGRV-RUZDIDTESA-N 2 1 422.617 4.712 50 0 HJAAMP Cc1ccc(C(=O)N(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)s1 ZINC000012051715 558314293 /nfs/dbraw/zinc/31/42/93/558314293.db2.gz GTQXIOWLGLBUQL-OAQYLSRUSA-N 2 1 417.663 4.639 50 0 HJAAMP CCOc1ccccc1C[N@@H+](C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012750576 558459054 /nfs/dbraw/zinc/45/90/54/558459054.db2.gz DVWVPFFIWTZPIH-XMMPIXPASA-N 2 1 400.607 4.721 50 0 HJAAMP COc1cc(C[N@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)cc(OC)c1 ZINC000055060826 558871253 /nfs/dbraw/zinc/87/12/53/558871253.db2.gz CLDAKRMNISHFHC-UHFFFAOYSA-N 2 1 423.601 4.756 50 0 HJAAMP Cc1cc(N2CCC3(CCC[N@@H+]3Cc3cnn(C(C)C)c3)CC2)c2ccccc2[nH+]1 ZINC000072411946 558977677 /nfs/dbraw/zinc/97/76/77/558977677.db2.gz VVUACPKYHMZWJV-UHFFFAOYSA-N 2 1 403.574 4.956 50 0 HJAAMP Cc1cc(N2CCC3(CCC[N@@H+]3Cc3cnn(C)c3C3CC3)CC2)c2ccccc2[nH+]1 ZINC000072430638 558979318 /nfs/dbraw/zinc/97/93/18/558979318.db2.gz BMRCVSJKKXMNIX-UHFFFAOYSA-N 2 1 415.585 4.789 50 0 HJAAMP