smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2[nH+]ccc3c4c([nH]c32)CCC4)CC1 ZINC001164830218 720351914 /nfs/dbraw/zinc/35/19/14/720351914.db2.gz VOLQJJMXBGEZQH-NHCUHLMSSA-N 2 2 407.562 2.963 20 0 HFADLP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)nc1 ZINC001164830553 720399016 /nfs/dbraw/zinc/39/90/16/720399016.db2.gz SCQHUWQMVCTFRN-FQEVSTJZSA-N 2 2 406.538 2.875 20 0 HFADLP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)nc1 ZINC001164830553 720399025 /nfs/dbraw/zinc/39/90/25/720399025.db2.gz SCQHUWQMVCTFRN-FQEVSTJZSA-N 2 2 406.538 2.875 20 0 HFADLP Cc1cc2ccccc2c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)[nH+]1 ZINC001164831750 720462464 /nfs/dbraw/zinc/46/24/64/720462464.db2.gz PHQSILXTNGFJQR-HXUWFJFHSA-N 2 2 421.545 2.729 20 0 HFADLP C[NH+]1CCN(c2cccc(N3CCO[C@@]4(CCC[C@H]4COc4ccccn4)C3)[nH+]2)CC1 ZINC001164735819 720539705 /nfs/dbraw/zinc/53/97/05/720539705.db2.gz RUPHJUYAPSJHCI-RDPSFJRHSA-N 2 2 423.561 2.683 20 0 HFADLP C[NH+]1CCN(c2cccc(N3CCC[C@@]4(C[C@@H](OCc5ccccn5)CO4)C3)[nH+]2)CC1 ZINC001164760805 721029291 /nfs/dbraw/zinc/02/92/91/721029291.db2.gz DIJAPCZIGLMZEZ-ZJSXRUAMSA-N 2 2 423.561 2.573 20 0 HFADLP C[NH+]1CCN(c2cccc(N3CCC[C@]4(C[C@H](OCc5ccccn5)CO4)C3)[nH+]2)CC1 ZINC001164760803 721029610 /nfs/dbraw/zinc/02/96/10/721029610.db2.gz DIJAPCZIGLMZEZ-URXFXBBRSA-N 2 2 423.561 2.573 20 0 HFADLP CCOC(=O)c1c[nH]c2cc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)[nH+]cc21 ZINC001164881198 721135293 /nfs/dbraw/zinc/13/52/93/721135293.db2.gz ZRHPQBHNGZBFIN-ZWKOTPCHSA-N 2 2 421.501 2.614 20 0 HFADLP CCOC(=O)c1c[nH]c2cc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)[nH+]cc21 ZINC001164881198 721135298 /nfs/dbraw/zinc/13/52/98/721135298.db2.gz ZRHPQBHNGZBFIN-ZWKOTPCHSA-N 2 2 421.501 2.614 20 0 HFADLP COc1cc2[nH+]c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)ccc2c(OC)c1 ZINC001164768093 721235904 /nfs/dbraw/zinc/23/59/04/721235904.db2.gz XVZICBHFMKWMEA-ZWKOTPCHSA-N 2 2 407.518 2.944 20 0 HFADLP COc1cc2[nH+]c(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)ccc2c(OC)c1 ZINC001164768093 721235906 /nfs/dbraw/zinc/23/59/06/721235906.db2.gz XVZICBHFMKWMEA-ZWKOTPCHSA-N 2 2 407.518 2.944 20 0 HFADLP c1ccc(N2CCN(c3cc(N4CC5(C4)CC[N@@H+](CC4CC4)C5)nc[nH+]3)CC2)cc1 ZINC001164775466 721300773 /nfs/dbraw/zinc/30/07/73/721300773.db2.gz XHQPNWBJUQUEKW-UHFFFAOYSA-N 2 2 404.562 2.725 20 0 HFADLP c1ccc(N2CCN(c3cc(N4CC5(C4)CC[N@H+](CC4CC4)C5)nc[nH+]3)CC2)cc1 ZINC001164775466 721300777 /nfs/dbraw/zinc/30/07/77/721300777.db2.gz XHQPNWBJUQUEKW-UHFFFAOYSA-N 2 2 404.562 2.725 20 0 HFADLP COc1ccc2c[nH+]c(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)cc2c1 ZINC001164916615 721790478 /nfs/dbraw/zinc/79/04/78/721790478.db2.gz RDIHEUAVXKOHQI-DEOSSOPVSA-N 2 2 420.513 2.746 20 0 HFADLP COc1ccc2c[nH+]c(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)cc2c1 ZINC001164916615 721790480 /nfs/dbraw/zinc/79/04/80/721790480.db2.gz RDIHEUAVXKOHQI-DEOSSOPVSA-N 2 2 420.513 2.746 20 0 HFADLP Cc1cc2c(nc[nH+]c2N2CCC(C[NH+](C)C)CC2)n1S(=O)(=O)c1ccccc1 ZINC001165042260 721943643 /nfs/dbraw/zinc/94/36/43/721943643.db2.gz LGAOXGPZGNKCOY-UHFFFAOYSA-N 2 2 413.547 2.755 20 0 HFADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974901 722115525 /nfs/dbraw/zinc/11/55/25/722115525.db2.gz IVIDXQKPGHJLNK-PMACEKPBSA-N 2 2 410.518 2.607 20 0 HFADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974901 722115529 /nfs/dbraw/zinc/11/55/29/722115529.db2.gz IVIDXQKPGHJLNK-PMACEKPBSA-N 2 2 410.518 2.607 20 0 HFADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979657 722133976 /nfs/dbraw/zinc/13/39/76/722133976.db2.gz LRGBNHCYEVLNSO-YPXJWJENSA-N 2 2 422.529 2.699 20 0 HFADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979657 722133979 /nfs/dbraw/zinc/13/39/79/722133979.db2.gz LRGBNHCYEVLNSO-YPXJWJENSA-N 2 2 422.529 2.699 20 0 HFADLP C[C@@H]1CCCN(c2cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc[nH+]2)C1 ZINC001164985414 722149242 /nfs/dbraw/zinc/14/92/42/722149242.db2.gz ZJOGRMGSFGLOTA-BAGYTPMASA-N 2 2 422.577 2.835 20 0 HFADLP C[C@@H]1CCCN(c2cc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc[nH+]2)C1 ZINC001164985414 722149245 /nfs/dbraw/zinc/14/92/45/722149245.db2.gz ZJOGRMGSFGLOTA-BAGYTPMASA-N 2 2 422.577 2.835 20 0 HFADLP C[C@@H]1CCCN(c2cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc[nH+]2)C1 ZINC001164985416 722149849 /nfs/dbraw/zinc/14/98/49/722149849.db2.gz ZJOGRMGSFGLOTA-CEMLEFRQSA-N 2 2 422.577 2.835 20 0 HFADLP C[C@@H]1CCCN(c2cc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc[nH+]2)C1 ZINC001164985416 722149850 /nfs/dbraw/zinc/14/98/50/722149850.db2.gz ZJOGRMGSFGLOTA-CEMLEFRQSA-N 2 2 422.577 2.835 20 0 HFADLP COc1ccc([C@@H]2C[C@H]2NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000793056981 1078068501 /nfs/dbraw/zinc/06/85/01/1078068501.db2.gz YYQHKSHTJFNVRH-LEWJYISDSA-N 2 2 400.567 2.801 20 0 HFADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000788247760 1077086376 /nfs/dbraw/zinc/08/63/76/1077086376.db2.gz IPRUIOHYVQCWBU-QRVBRYPASA-N 2 2 410.603 2.745 20 0 HFADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000788247760 1077086380 /nfs/dbraw/zinc/08/63/80/1077086380.db2.gz IPRUIOHYVQCWBU-QRVBRYPASA-N 2 2 410.603 2.745 20 0 HFADLP CN(C)c1ccc(N2C(=O)C[C@H]([NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)C2=O)cc1 ZINC000788332931 1077105084 /nfs/dbraw/zinc/10/50/84/1077105084.db2.gz YQDUDPPGDHQYLX-NRFANRHFSA-N 2 2 421.545 2.797 20 0 HFADLP C[NH+]1CCC(C[NH+]2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000788473892 1077171374 /nfs/dbraw/zinc/17/13/74/1077171374.db2.gz BJQBDTCIJNYUOF-UHFFFAOYSA-N 2 2 406.379 2.642 20 0 HFADLP CC(C)[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H](O)c1ccccc1 ZINC000788942794 1077372838 /nfs/dbraw/zinc/37/28/38/1077372838.db2.gz YDBCOOAPVALPGF-YADHBBJMSA-N 2 2 402.583 2.602 20 0 HFADLP CC(C)[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[C@@H](O)c1ccccc1 ZINC000789040679 1077391354 /nfs/dbraw/zinc/39/13/54/1077391354.db2.gz VIUKVUDHXFVQHH-VXKWHMMOSA-N 2 2 416.610 2.994 20 0 HFADLP CC(C)N1CC[NH+](CCCOC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000791940039 1077600887 /nfs/dbraw/zinc/60/08/87/1077600887.db2.gz SYRZBXNAGOMXHB-NRFANRHFSA-N 2 2 405.558 2.997 20 0 HFADLP CC(C)N1CC[NH+](CCCOC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000791940039 1077600888 /nfs/dbraw/zinc/60/08/88/1077600888.db2.gz SYRZBXNAGOMXHB-NRFANRHFSA-N 2 2 405.558 2.997 20 0 HFADLP O=C(C[NH2+]C1(Cc2ccccc2)CCOCC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC001170292311 1077929173 /nfs/dbraw/zinc/92/91/73/1077929173.db2.gz YHWUYRWTNKQMCV-UHFFFAOYSA-N 2 2 413.587 2.774 20 0 HFADLP NC(=O)C1CCN(c2cc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)nc[nH+]2)CC1 ZINC001170329975 1077944813 /nfs/dbraw/zinc/94/48/13/1077944813.db2.gz CDCNZIAWJFHPQZ-MZADTFQBSA-N 2 2 420.561 2.786 20 0 HFADLP NC(=O)C1CCN(c2cc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)nc[nH+]2)CC1 ZINC001170329975 1077944817 /nfs/dbraw/zinc/94/48/17/1077944817.db2.gz CDCNZIAWJFHPQZ-MZADTFQBSA-N 2 2 420.561 2.786 20 0 HFADLP NC(=O)C1CCN(c2cc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)[nH+]cn2)CC1 ZINC001170329975 1077944818 /nfs/dbraw/zinc/94/48/18/1077944818.db2.gz CDCNZIAWJFHPQZ-MZADTFQBSA-N 2 2 420.561 2.786 20 0 HFADLP NC(=O)C1CCN(c2cc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)[nH+]cn2)CC1 ZINC001170329975 1077944820 /nfs/dbraw/zinc/94/48/20/1077944820.db2.gz CDCNZIAWJFHPQZ-MZADTFQBSA-N 2 2 420.561 2.786 20 0 HFADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCOCC34CCCCC4)CC2)cc1 ZINC001170308821 1077948251 /nfs/dbraw/zinc/94/82/51/1077948251.db2.gz ZAMWCWSIADKYMM-UHFFFAOYSA-N 2 2 415.578 2.765 20 0 HFADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCOCC34CCCCC4)CC2)cc1 ZINC001170308821 1077948252 /nfs/dbraw/zinc/94/82/52/1077948252.db2.gz ZAMWCWSIADKYMM-UHFFFAOYSA-N 2 2 415.578 2.765 20 0 HFADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCOCC34CCCCC4)CC2)cc1 ZINC001170308821 1077948255 /nfs/dbraw/zinc/94/82/55/1077948255.db2.gz ZAMWCWSIADKYMM-UHFFFAOYSA-N 2 2 415.578 2.765 20 0 HFADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCOCC34CCCCC4)CC2)cc1 ZINC001170308821 1077948256 /nfs/dbraw/zinc/94/82/56/1077948256.db2.gz ZAMWCWSIADKYMM-UHFFFAOYSA-N 2 2 415.578 2.765 20 0 HFADLP CCC[N@H+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000790362371 1078004807 /nfs/dbraw/zinc/00/48/07/1078004807.db2.gz KZFZLPHHXUGXDS-AVRDEDQJSA-N 2 2 422.570 2.582 20 0 HFADLP CCC[N@@H+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000790362371 1078004811 /nfs/dbraw/zinc/00/48/11/1078004811.db2.gz KZFZLPHHXUGXDS-AVRDEDQJSA-N 2 2 422.570 2.582 20 0 HFADLP CC[NH+]1CCN(c2ccc(NC(=O)c3c(C)nn(C)c3-n3cc[nH+]c3C)cc2)CC1 ZINC000792841259 1078012611 /nfs/dbraw/zinc/01/26/11/1078012611.db2.gz LXYCEAQXBXNXRA-UHFFFAOYSA-N 2 2 407.522 2.617 20 0 HFADLP O=C1O[C@]2(CN1C[NH+]1CCC(Oc3ccc(F)cc3F)CC1)C[NH+]1CCC2CC1 ZINC000790369025 1078015992 /nfs/dbraw/zinc/01/59/92/1078015992.db2.gz OHIHSARFKPOJDC-NRFANRHFSA-N 2 2 407.461 2.682 20 0 HFADLP CCCCC[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000806321264 1079591803 /nfs/dbraw/zinc/59/18/03/1079591803.db2.gz SKUXKMQTQWIINT-UXHICEINSA-N 2 2 408.631 2.725 20 0 HFADLP CCCCC[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000806321264 1079591815 /nfs/dbraw/zinc/59/18/15/1079591815.db2.gz SKUXKMQTQWIINT-UXHICEINSA-N 2 2 408.631 2.725 20 0 HFADLP CCOc1cc[nH+]c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c1 ZINC001164824783 720368959 /nfs/dbraw/zinc/36/89/59/720368959.db2.gz KYOKFGWCBVQVTB-UHFFFAOYSA-N 2 2 415.563 2.558 20 0 HFADLP CCOc1cc[nH+]c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c1 ZINC001164824783 720368967 /nfs/dbraw/zinc/36/89/67/720368967.db2.gz KYOKFGWCBVQVTB-UHFFFAOYSA-N 2 2 415.563 2.558 20 0 HFADLP Cc1c[nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1NC(C)C ZINC001164741348 720808149 /nfs/dbraw/zinc/80/81/49/720808149.db2.gz BBDKKKHJGGEDQR-VAMGGRTRSA-N 2 2 410.570 2.576 20 0 HFADLP Cc1c[nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1NC(C)C ZINC001164741348 720808151 /nfs/dbraw/zinc/80/81/51/720808151.db2.gz BBDKKKHJGGEDQR-VAMGGRTRSA-N 2 2 410.570 2.576 20 0 HFADLP C[NH+]1CCN(c2cccc(N3CCC[C@]4(C[C@@H](OCc5ccccn5)CO4)C3)[nH+]2)CC1 ZINC001164760802 721029430 /nfs/dbraw/zinc/02/94/30/721029430.db2.gz DIJAPCZIGLMZEZ-QPPBQGQZSA-N 2 2 423.561 2.573 20 0 HFADLP O=C1COc2cc[nH+]c(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2N1 ZINC001164908713 721706393 /nfs/dbraw/zinc/70/63/93/721706393.db2.gz YTGXIBLRPFSWLU-FQEVSTJZSA-N 2 2 415.444 2.545 20 0 HFADLP O=C1COc2cc[nH+]c(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2N1 ZINC001164908713 721706394 /nfs/dbraw/zinc/70/63/94/721706394.db2.gz YTGXIBLRPFSWLU-FQEVSTJZSA-N 2 2 415.444 2.545 20 0 HFADLP CCOC(=O)c1c(C)cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)[nH+]c1C ZINC001164971465 722125544 /nfs/dbraw/zinc/12/55/44/722125544.db2.gz COLHISKXBJMJKG-SFTDATJTSA-N 2 2 424.545 2.997 20 0 HFADLP CCOC(=O)c1c(C)cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)[nH+]c1C ZINC001164971465 722125547 /nfs/dbraw/zinc/12/55/47/722125547.db2.gz COLHISKXBJMJKG-SFTDATJTSA-N 2 2 424.545 2.997 20 0 HFADLP c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4nc(N5CCCCC5)cc[nH+]4)CC[C@H]3C2)c1 ZINC001164972695 722128634 /nfs/dbraw/zinc/12/86/34/722128634.db2.gz AIBJWLJPOQOBHQ-LEWJYISDSA-N 2 2 408.550 2.589 20 0 HFADLP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4nc(N5CCCCC5)cc[nH+]4)CC[C@H]3C2)c1 ZINC001164972695 722128636 /nfs/dbraw/zinc/12/86/36/722128636.db2.gz AIBJWLJPOQOBHQ-LEWJYISDSA-N 2 2 408.550 2.589 20 0 HFADLP CCOC(=O)c1c(C)cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)[nH+]c1C ZINC001165001635 722254521 /nfs/dbraw/zinc/25/45/21/722254521.db2.gz DRQXVRJHKFMRIF-UHFFFAOYSA-N 2 2 415.538 2.560 20 0 HFADLP COc1cccc(C[NH+]2CCC(NC(=O)c3c(C)nn(C)c3-n3cc[nH+]c3C)CC2)c1 ZINC000793127043 1078072711 /nfs/dbraw/zinc/07/27/11/1078072711.db2.gz GJMQDRNGHCIUNA-UHFFFAOYSA-N 2 2 422.533 2.626 20 0 HFADLP C[C@@H]([NH3+])C1CCC(C(=O)N=C2C=C[NH+](c3ccc4c(c3)NC(=O)[C@H](C)O4)C=C2)CC1 ZINC001170494200 1079364354 /nfs/dbraw/zinc/36/43/54/1079364354.db2.gz WPAUDZCGZGIAMR-XNIRIUNOSA-N 2 2 408.502 2.778 20 0 HFADLP O=C1N[C@H](Cc2ccccc2)C(=O)N1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788383070 1077137150 /nfs/dbraw/zinc/13/71/50/1077137150.db2.gz UGTSSWFIPJXDIR-HXUWFJFHSA-N 2 2 407.518 2.519 20 0 HFADLP C[C@H](C(=O)Nc1sccc1C(N)=O)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000789352515 1077513192 /nfs/dbraw/zinc/51/31/92/1077513192.db2.gz HPDMHWUYAXHDPD-CYBMUJFWSA-N 2 2 401.536 2.586 20 0 HFADLP C[C@@H](C(=O)Nc1sccc1C(N)=O)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000789352519 1077513246 /nfs/dbraw/zinc/51/32/46/1077513246.db2.gz HPDMHWUYAXHDPD-ZDUSSCGKSA-N 2 2 401.536 2.586 20 0 HFADLP CC(C)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001691696239 1077993411 /nfs/dbraw/zinc/99/34/11/1077993411.db2.gz RQQLNKQFSZEXFV-HXUWFJFHSA-N 2 2 418.561 2.612 20 0 HFADLP O=C(NCC1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1)C(F)(F)F ZINC000792880396 1078016242 /nfs/dbraw/zinc/01/62/42/1078016242.db2.gz DNZAPZGQMYJQKF-IBGZPJMESA-N 2 2 413.484 2.668 20 0 HFADLP O=C(NCC1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1)C(F)(F)F ZINC000792880396 1078016246 /nfs/dbraw/zinc/01/62/46/1078016246.db2.gz DNZAPZGQMYJQKF-IBGZPJMESA-N 2 2 413.484 2.668 20 0 HFADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ncccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164643607 719217593 /nfs/dbraw/zinc/21/75/93/719217593.db2.gz ZPIKZRRSUGIPLL-PMACEKPBSA-N 2 2 407.562 2.568 20 0 HFADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ncccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164643607 719217599 /nfs/dbraw/zinc/21/75/99/719217599.db2.gz ZPIKZRRSUGIPLL-PMACEKPBSA-N 2 2 407.562 2.568 20 0 HFADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000301667338 719466988 /nfs/dbraw/zinc/46/69/88/719466988.db2.gz OXUHVJUVNVLSKE-ROUUACIJSA-N 2 2 409.559 2.939 20 0 HFADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000301667338 719466990 /nfs/dbraw/zinc/46/69/90/719466990.db2.gz OXUHVJUVNVLSKE-ROUUACIJSA-N 2 2 409.559 2.939 20 0 HFADLP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(N3CCOCC3)nc[nH+]1)CC2 ZINC001164840358 720665653 /nfs/dbraw/zinc/66/56/53/720665653.db2.gz LRVGNBNNIFBPBE-OAQYLSRUSA-N 2 2 423.561 2.573 20 0 HFADLP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(N3CCOCC3)nc[nH+]1)CC2 ZINC001164840358 720665662 /nfs/dbraw/zinc/66/56/62/720665662.db2.gz LRVGNBNNIFBPBE-OAQYLSRUSA-N 2 2 423.561 2.573 20 0 HFADLP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(N3CCOCC3)[nH+]cn1)CC2 ZINC001164840358 720665668 /nfs/dbraw/zinc/66/56/68/720665668.db2.gz LRVGNBNNIFBPBE-OAQYLSRUSA-N 2 2 423.561 2.573 20 0 HFADLP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(N3CCOCC3)[nH+]cn1)CC2 ZINC001164840358 720665672 /nfs/dbraw/zinc/66/56/72/720665672.db2.gz LRVGNBNNIFBPBE-OAQYLSRUSA-N 2 2 423.561 2.573 20 0 HFADLP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(N3CCSCC3)[nH+]cn1)[C@@H]2C ZINC001164858088 721014177 /nfs/dbraw/zinc/01/41/77/721014177.db2.gz GBNZYRBOJKXWJQ-MRXNPFEDSA-N 2 2 401.584 2.648 20 0 HFADLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(N3CCSCC3)[nH+]cn1)[C@@H]2C ZINC001164858088 721014185 /nfs/dbraw/zinc/01/41/85/721014185.db2.gz GBNZYRBOJKXWJQ-MRXNPFEDSA-N 2 2 401.584 2.648 20 0 HFADLP c1[nH+]cn2c1CN(c1ncccc1C[NH+]1CCCC1)C[C@@H](COc1cccnc1)C2 ZINC001164769068 721276334 /nfs/dbraw/zinc/27/63/34/721276334.db2.gz OBFYZBCDAROKFO-LJQANCHMSA-N 2 2 404.518 2.984 20 0 HFADLP Cc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)cc(N2CCCC2)[nH+]1 ZINC001164808996 721532457 /nfs/dbraw/zinc/53/24/57/721532457.db2.gz SXOWWFDOUQVAFW-ZRCGQRJVSA-N 2 2 408.550 2.648 20 0 HFADLP Cc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)cc(N2CCCC2)[nH+]1 ZINC001164808996 721532462 /nfs/dbraw/zinc/53/24/62/721532462.db2.gz SXOWWFDOUQVAFW-ZRCGQRJVSA-N 2 2 408.550 2.648 20 0 HFADLP COc1cc2c[nH+]c(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)cc2cc1OC ZINC001165009644 721746297 /nfs/dbraw/zinc/74/62/97/721746297.db2.gz HISPKYZOUNTVQB-UHFFFAOYSA-N 2 2 412.534 2.775 20 0 HFADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(N4CC[NH2+]CC4)c[nH+]3)C[C@@H]21 ZINC001165024182 721819690 /nfs/dbraw/zinc/81/96/90/721819690.db2.gz JNEFSGYXJSXMEO-AJSBUHFISA-N 3 2 406.578 2.623 20 0 HFADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(N4CC[NH2+]CC4)c[nH+]3)C[C@@H]21 ZINC001165024182 721819691 /nfs/dbraw/zinc/81/96/91/721819691.db2.gz JNEFSGYXJSXMEO-AJSBUHFISA-N 3 2 406.578 2.623 20 0 HFADLP c1cncc(C[N@@H+]2CCO[C@H]3CN(c4cc(N5CCCCC5)[nH+]cn4)CC[C@H]3C2)c1 ZINC001164983860 722139612 /nfs/dbraw/zinc/13/96/12/722139612.db2.gz VWLFFBHOFCWKLX-SFTDATJTSA-N 2 2 408.550 2.589 20 0 HFADLP c1cncc(C[N@H+]2CCO[C@H]3CN(c4cc(N5CCCCC5)[nH+]cn4)CC[C@H]3C2)c1 ZINC001164983860 722139616 /nfs/dbraw/zinc/13/96/16/722139616.db2.gz VWLFFBHOFCWKLX-SFTDATJTSA-N 2 2 408.550 2.589 20 0 HFADLP NC(CCN1CC[NH+](Cc2ccccc2)CC1)=[NH+]OCc1cc(Br)no1 ZINC000793834119 1078321368 /nfs/dbraw/zinc/32/13/68/1078321368.db2.gz DBNABCWIELGGRK-UHFFFAOYSA-N 2 2 422.327 2.643 20 0 HFADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001170442897 1078372540 /nfs/dbraw/zinc/37/25/40/1078372540.db2.gz MTLYOOXFDSGERV-IBGZPJMESA-N 2 2 411.550 2.872 20 0 HFADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001170442897 1078372544 /nfs/dbraw/zinc/37/25/44/1078372544.db2.gz MTLYOOXFDSGERV-IBGZPJMESA-N 2 2 411.550 2.872 20 0 HFADLP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cccc(Br)n2)CC1 ZINC000794275625 1078398722 /nfs/dbraw/zinc/39/87/22/1078398722.db2.gz PUWHMWKQQLKHHZ-UHFFFAOYSA-N 2 2 411.388 2.904 20 0 HFADLP C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000804374867 1078439306 /nfs/dbraw/zinc/43/93/06/1078439306.db2.gz HHNKYFKGXBSQFT-CRAIPNDOSA-N 2 2 404.530 2.518 20 0 HFADLP C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000804374867 1078439307 /nfs/dbraw/zinc/43/93/07/1078439307.db2.gz HHNKYFKGXBSQFT-CRAIPNDOSA-N 2 2 404.530 2.518 20 0 HFADLP Clc1ccc2c(n1)CC[C@H]2[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000806147599 1079467549 /nfs/dbraw/zinc/46/75/49/1079467549.db2.gz YVXXXXIOMBKUFK-DOTOQJQBSA-N 2 2 414.941 2.608 20 0 HFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NOCc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000746721228 1077007905 /nfs/dbraw/zinc/00/79/05/1077007905.db2.gz JTLNOCJQIFIIOZ-UHFFFAOYSA-N 2 2 414.472 2.995 20 0 HFADLP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1nc(Br)ccc1F ZINC000788540484 1077194273 /nfs/dbraw/zinc/19/42/73/1077194273.db2.gz RWWWMRRQMQOHIX-CYBMUJFWSA-N 2 2 408.319 2.981 20 0 HFADLP C[NH+]1CCC(CNC(=O)c2nc(Br)ccc2F)([NH+]2CCCCC2)CC1 ZINC000791610120 1077485188 /nfs/dbraw/zinc/48/51/88/1077485188.db2.gz CRRASUOQTLZTEM-UHFFFAOYSA-N 2 2 413.335 2.663 20 0 HFADLP CC[N@H+](CCC1CC[NH+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1)CC1CC1 ZINC000790367685 1078015820 /nfs/dbraw/zinc/01/58/20/1078015820.db2.gz HCRQKRVYRBWNCY-HSZRJFAPSA-N 3 2 404.599 2.695 20 0 HFADLP CC[N@@H+](CCC1CC[NH+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1)CC1CC1 ZINC000790367685 1078015825 /nfs/dbraw/zinc/01/58/25/1078015825.db2.gz HCRQKRVYRBWNCY-HSZRJFAPSA-N 3 2 404.599 2.695 20 0 HFADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790372966 1078017141 /nfs/dbraw/zinc/01/71/41/1078017141.db2.gz XKRCYIXNWPMOPL-VGOFRKELSA-N 2 2 418.969 2.893 20 0 HFADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000806506408 1079755885 /nfs/dbraw/zinc/75/58/85/1079755885.db2.gz SKZZGOOAZCOUIU-NRFANRHFSA-N 2 2 404.518 2.644 20 0 HFADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000806506408 1079755889 /nfs/dbraw/zinc/75/58/89/1079755889.db2.gz SKZZGOOAZCOUIU-NRFANRHFSA-N 2 2 404.518 2.644 20 0 HFADLP CCOC(=O)C1CC[NH+](C2CCN(c3cc(N4CCC[C@H](C)C4)[nH+]cn3)CC2)CC1 ZINC001164617626 719033265 /nfs/dbraw/zinc/03/32/65/719033265.db2.gz OEFPAKSJEOTFDG-SFHVURJKSA-N 2 2 415.582 2.957 20 0 HFADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)c2c1C ZINC001164666448 719441095 /nfs/dbraw/zinc/44/10/95/719441095.db2.gz CLSCISJIEJEFEJ-DLBZAZTESA-N 2 2 401.580 2.813 20 0 HFADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4OCC[N@H+](C)[C@H]4C3)c2c1C ZINC001164666448 719441098 /nfs/dbraw/zinc/44/10/98/719441098.db2.gz CLSCISJIEJEFEJ-DLBZAZTESA-N 2 2 401.580 2.813 20 0 HFADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)c2c1C ZINC001164666450 719441914 /nfs/dbraw/zinc/44/19/14/719441914.db2.gz CLSCISJIEJEFEJ-IRXDYDNUSA-N 2 2 401.580 2.813 20 0 HFADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)c2c1C ZINC001164666450 719441919 /nfs/dbraw/zinc/44/19/19/719441919.db2.gz CLSCISJIEJEFEJ-IRXDYDNUSA-N 2 2 401.580 2.813 20 0 HFADLP CCN(C)c1cc[nH+]c(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164778838 721330925 /nfs/dbraw/zinc/33/09/25/721330925.db2.gz ZCQUUTPXYCQLKZ-JOCHJYFZSA-N 2 2 414.554 2.657 20 0 HFADLP CCN(C)c1cc[nH+]c(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164778838 721330928 /nfs/dbraw/zinc/33/09/28/721330928.db2.gz ZCQUUTPXYCQLKZ-JOCHJYFZSA-N 2 2 414.554 2.657 20 0 HFADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(NC4CC4)cc[nH+]3)C2)C1 ZINC001164777047 721331015 /nfs/dbraw/zinc/33/10/15/721331015.db2.gz KZSKPWAUWQJCLM-JOCHJYFZSA-N 2 2 412.538 2.775 20 0 HFADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(NC4CC4)cc[nH+]3)C2)C1 ZINC001164777047 721331018 /nfs/dbraw/zinc/33/10/18/721331018.db2.gz KZSKPWAUWQJCLM-JOCHJYFZSA-N 2 2 412.538 2.775 20 0 HFADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@@H]21 ZINC001165025894 721817536 /nfs/dbraw/zinc/81/75/36/721817536.db2.gz ODNWZCDBFWMQMM-ACIOBRDBSA-N 3 2 420.605 2.965 20 0 HFADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@@H]21 ZINC001165025894 721817539 /nfs/dbraw/zinc/81/75/39/721817539.db2.gz ODNWZCDBFWMQMM-ACIOBRDBSA-N 3 2 420.605 2.965 20 0 HFADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(N4CC[NH2+]CC4)c[nH+]3)C[C@H]21 ZINC001165024188 721819719 /nfs/dbraw/zinc/81/97/19/721819719.db2.gz JNEFSGYXJSXMEO-WWPVKYPJSA-N 3 2 406.578 2.623 20 0 HFADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(N4CC[NH2+]CC4)c[nH+]3)C[C@H]21 ZINC001165024188 721819720 /nfs/dbraw/zinc/81/97/20/721819720.db2.gz JNEFSGYXJSXMEO-WWPVKYPJSA-N 3 2 406.578 2.623 20 0 HFADLP c1cncc(C[N@@H+]2CCC3(C2)CCN(c2cc(N4CCSCC4)[nH+]cn2)CC3)c1 ZINC001164959872 722023636 /nfs/dbraw/zinc/02/36/36/722023636.db2.gz JGEVJSJNLCBHGY-UHFFFAOYSA-N 2 2 410.591 2.917 20 0 HFADLP c1cncc(C[N@H+]2CCC3(C2)CCN(c2cc(N4CCSCC4)[nH+]cn2)CC3)c1 ZINC001164959872 722023638 /nfs/dbraw/zinc/02/36/38/722023638.db2.gz JGEVJSJNLCBHGY-UHFFFAOYSA-N 2 2 410.591 2.917 20 0 HFADLP Cc1ccc(N2C[C@@]3(CCN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C3)CC2=O)s1 ZINC001164963643 722044121 /nfs/dbraw/zinc/04/41/21/722044121.db2.gz SCKRIOIYMIDRTK-QFIPXVFZSA-N 2 2 411.575 2.837 20 0 HFADLP CN(C(=O)C(F)(F)C1CCOCC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000790819325 1078154545 /nfs/dbraw/zinc/15/45/45/1078154545.db2.gz XCYRKVGPOUJMMW-OALUTQOASA-N 2 2 401.542 2.844 20 0 HFADLP CN(C(=O)C(F)(F)C1CCOCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000790819325 1078154546 /nfs/dbraw/zinc/15/45/46/1078154546.db2.gz XCYRKVGPOUJMMW-OALUTQOASA-N 2 2 401.542 2.844 20 0 HFADLP Clc1ccc2c(n1)[C@@H]([NH2+][C@@H]1CCCN(c3cc(N4CCOCC4)[nH+]cn3)C1)CC2 ZINC000788637952 1077242248 /nfs/dbraw/zinc/24/22/48/1077242248.db2.gz CUHHGESKRYUUQD-SJORKVTESA-N 2 2 414.941 2.608 20 0 HFADLP CCC[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H](O)c1ccccc1 ZINC000792057274 1077663598 /nfs/dbraw/zinc/66/35/98/1077663598.db2.gz ORZZZYCVXHXXKD-FGZHOGPDSA-N 2 2 402.583 2.747 20 0 HFADLP O=C1O[C@]2(CN1C[NH+]1CCC(c3nc(-c4ccccc4)no3)CC1)C[NH+]1CCC2CC1 ZINC000790362713 1078004605 /nfs/dbraw/zinc/00/46/05/1078004605.db2.gz NQJDKULKMIQYHF-QHCPKHFHSA-N 2 2 423.517 2.790 20 0 HFADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790374017 1078017737 /nfs/dbraw/zinc/01/77/37/1078017737.db2.gz SYPFTTKBPRRIEJ-WMZHIEFXSA-N 3 2 404.599 2.837 20 0 HFADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790374017 1078017742 /nfs/dbraw/zinc/01/77/42/1078017742.db2.gz SYPFTTKBPRRIEJ-WMZHIEFXSA-N 3 2 404.599 2.837 20 0 HFADLP O=C1O[C@@]2(CN1C[NH+]1CCC(OCc3ccc(F)cc3)CC1)C[NH+]1CCC2CC1 ZINC000790376782 1078018612 /nfs/dbraw/zinc/01/86/12/1078018612.db2.gz VZBUGNITEQTBPH-JOCHJYFZSA-N 2 2 403.498 2.681 20 0 HFADLP CCc1ccc([C@@H](O)CNC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000806873356 1080073952 /nfs/dbraw/zinc/07/39/52/1080073952.db2.gz ZJBYOPOSZLRJKO-NRFANRHFSA-N 2 2 402.583 2.532 20 0 HFADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3[NH2+]CCO[C@@H]3C2)n1 ZINC001164389855 718825161 /nfs/dbraw/zinc/82/51/61/718825161.db2.gz JYWSOFKHKPZILV-QZTJIDSGSA-N 2 2 409.559 2.987 20 0 HFADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3[NH2+]CCO[C@@H]3C2)n1 ZINC001164389857 718825490 /nfs/dbraw/zinc/82/54/90/718825490.db2.gz JYWSOFKHKPZILV-ZWKOTPCHSA-N 2 2 409.559 2.987 20 0 HFADLP C[C@@H]1CCCN(c2cc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nc[nH+]2)C1 ZINC001164800179 721585244 /nfs/dbraw/zinc/58/52/44/721585244.db2.gz CILIGHKGDJQGPA-KDNSLJGTSA-N 2 2 422.577 2.976 20 0 HFADLP C[C@@H]1CCCN(c2cc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nc[nH+]2)C1 ZINC001164800179 721585247 /nfs/dbraw/zinc/58/52/47/721585247.db2.gz CILIGHKGDJQGPA-KDNSLJGTSA-N 2 2 422.577 2.976 20 0 HFADLP C[N@H+](Cc1ccccn1)[C@H]1CCC[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@@H]21 ZINC001165025898 721817738 /nfs/dbraw/zinc/81/77/38/721817738.db2.gz ODNWZCDBFWMQMM-PMVMPFDFSA-N 3 2 420.605 2.965 20 0 HFADLP C[N@@H+](Cc1ccccn1)[C@H]1CCC[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@@H]21 ZINC001165025898 721817739 /nfs/dbraw/zinc/81/77/39/721817739.db2.gz ODNWZCDBFWMQMM-PMVMPFDFSA-N 3 2 420.605 2.965 20 0 HFADLP Cc1ccc(N2C[C@]3(CCN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C3)CC2=O)s1 ZINC001164963639 722044060 /nfs/dbraw/zinc/04/40/60/722044060.db2.gz SCKRIOIYMIDRTK-JOCHJYFZSA-N 2 2 411.575 2.837 20 0 HFADLP Cc1c[nH+]c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1NC1CC1 ZINC001164958837 722051959 /nfs/dbraw/zinc/05/19/59/722051959.db2.gz GYIARDNLWIYSDP-UHFFFAOYSA-N 2 2 408.550 2.873 20 0 HFADLP Cc1c[nH+]c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1NC1CC1 ZINC001164958837 722051961 /nfs/dbraw/zinc/05/19/61/722051961.db2.gz GYIARDNLWIYSDP-UHFFFAOYSA-N 2 2 408.550 2.873 20 0 HFADLP c1cncc(C[N@@H+]2CCO[C@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)CC[C@H]3C2)c1 ZINC001164973287 722138374 /nfs/dbraw/zinc/13/83/74/722138374.db2.gz BQRYRLJOACXHCS-SFTDATJTSA-N 2 2 408.550 2.589 20 0 HFADLP c1cncc(C[N@H+]2CCO[C@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)CC[C@H]3C2)c1 ZINC001164973287 722138378 /nfs/dbraw/zinc/13/83/78/722138378.db2.gz BQRYRLJOACXHCS-SFTDATJTSA-N 2 2 408.550 2.589 20 0 HFADLP C[N@H+](CCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)C1CCCCC1 ZINC000804761221 1078611451 /nfs/dbraw/zinc/61/14/51/1078611451.db2.gz YYAVNLJRVFFCLP-FQEVSTJZSA-N 2 2 422.614 2.795 20 0 HFADLP C[N@@H+](CCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)C1CCCCC1 ZINC000804761221 1078611457 /nfs/dbraw/zinc/61/14/57/1078611457.db2.gz YYAVNLJRVFFCLP-FQEVSTJZSA-N 2 2 422.614 2.795 20 0 HFADLP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1COCc2cccc(Cl)c21 ZINC000788711296 1077267693 /nfs/dbraw/zinc/26/76/93/1077267693.db2.gz KZBLRKLTRYODLN-PMACEKPBSA-N 2 2 401.938 2.790 20 0 HFADLP CC(C)[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H](O)c1ccccc1 ZINC000788942787 1077372819 /nfs/dbraw/zinc/37/28/19/1077372819.db2.gz YDBCOOAPVALPGF-FGZHOGPDSA-N 2 2 402.583 2.602 20 0 HFADLP COC(=O)c1c2cnn(C[N@H+](C)CCCn3cc[nH+]c3)c2ccc1Br ZINC000790443061 1078032912 /nfs/dbraw/zinc/03/29/12/1078032912.db2.gz TZJFWUNMVFWQIO-UHFFFAOYSA-N 2 2 406.284 2.762 20 0 HFADLP COC(=O)c1c2cnn(C[N@@H+](C)CCCn3cc[nH+]c3)c2ccc1Br ZINC000790443061 1078032917 /nfs/dbraw/zinc/03/29/17/1078032917.db2.gz TZJFWUNMVFWQIO-UHFFFAOYSA-N 2 2 406.284 2.762 20 0 HFADLP Cc1c[nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1NCC1CC1 ZINC001164750391 720807896 /nfs/dbraw/zinc/80/78/96/720807896.db2.gz VLBVVEKUKFJZID-PWRODBHTSA-N 2 2 422.581 2.578 20 0 HFADLP Cc1c[nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1NCC1CC1 ZINC001164750391 720807898 /nfs/dbraw/zinc/80/78/98/720807898.db2.gz VLBVVEKUKFJZID-PWRODBHTSA-N 2 2 422.581 2.578 20 0 HFADLP Cc1cccc(CN2CC[C@]3(CCN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C3)C2=O)c1 ZINC001164848045 720808077 /nfs/dbraw/zinc/80/80/77/720808077.db2.gz BQAHRPWHZWPWGL-RUZDIDTESA-N 2 2 419.573 2.771 20 0 HFADLP Cc1[nH]c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1C ZINC001164737383 720830715 /nfs/dbraw/zinc/83/07/15/720830715.db2.gz AQDANPSLYDOKDO-GBESFXJTSA-N 2 2 406.538 2.546 20 0 HFADLP Cc1[nH]c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1C ZINC001164737383 720830717 /nfs/dbraw/zinc/83/07/17/720830717.db2.gz AQDANPSLYDOKDO-GBESFXJTSA-N 2 2 406.538 2.546 20 0 HFADLP C[C@@H]1CCCN(c2cc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nc[nH+]2)C1 ZINC001164800176 721585019 /nfs/dbraw/zinc/58/50/19/721585019.db2.gz CILIGHKGDJQGPA-HBDUWURDSA-N 2 2 422.577 2.976 20 0 HFADLP C[C@@H]1CCCN(c2cc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nc[nH+]2)C1 ZINC001164800176 721585022 /nfs/dbraw/zinc/58/50/22/721585022.db2.gz CILIGHKGDJQGPA-HBDUWURDSA-N 2 2 422.577 2.976 20 0 HFADLP C[NH+](C)CC1CCN(c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001165044965 721947121 /nfs/dbraw/zinc/94/71/21/721947121.db2.gz KWOBGMJLASBPJG-UHFFFAOYSA-N 2 2 421.589 2.818 20 0 HFADLP O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncccc1C[NH+]1CCCC1)CC2 ZINC001164951500 721981403 /nfs/dbraw/zinc/98/14/03/721981403.db2.gz ZUKLWRXVNSUFMS-UHFFFAOYSA-N 2 2 419.573 2.648 20 0 HFADLP O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncccc1C[NH+]1CCCC1)CC2 ZINC001164951500 721981405 /nfs/dbraw/zinc/98/14/05/721981405.db2.gz ZUKLWRXVNSUFMS-UHFFFAOYSA-N 2 2 419.573 2.648 20 0 HFADLP Cc1c[nH+]c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1NCC1CC1 ZINC001164986230 722099054 /nfs/dbraw/zinc/09/90/54/722099054.db2.gz YLZKCBYQBJTRAY-SFTDATJTSA-N 2 2 408.550 2.729 20 0 HFADLP Cc1c[nH+]c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1NCC1CC1 ZINC001164986230 722099055 /nfs/dbraw/zinc/09/90/55/722099055.db2.gz YLZKCBYQBJTRAY-SFTDATJTSA-N 2 2 408.550 2.729 20 0 HFADLP c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4cc(N5CCCCC5)[nH+]cn4)CC[C@H]3C2)c1 ZINC001164983854 722139981 /nfs/dbraw/zinc/13/99/81/722139981.db2.gz VWLFFBHOFCWKLX-LEWJYISDSA-N 2 2 408.550 2.589 20 0 HFADLP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4cc(N5CCCCC5)[nH+]cn4)CC[C@H]3C2)c1 ZINC001164983854 722139983 /nfs/dbraw/zinc/13/99/83/722139983.db2.gz VWLFFBHOFCWKLX-LEWJYISDSA-N 2 2 408.550 2.589 20 0 HFADLP Cc1cccc2c(C)cc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)[nH+]c12 ZINC001164998080 722230134 /nfs/dbraw/zinc/23/01/34/722230134.db2.gz WQCWUZLFIFWIQK-UHFFFAOYSA-N 2 2 402.546 2.999 20 0 HFADLP Cc1c(Br)cccc1CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000790630013 1078067831 /nfs/dbraw/zinc/06/78/31/1078067831.db2.gz GDQDMLBMDPZWFM-SFHVURJKSA-N 2 2 408.384 2.927 20 0 HFADLP Cc1c(Br)cccc1CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000790630013 1078067839 /nfs/dbraw/zinc/06/78/39/1078067839.db2.gz GDQDMLBMDPZWFM-SFHVURJKSA-N 2 2 408.384 2.927 20 0 HFADLP CN(C(=O)C(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000793952605 1078345746 /nfs/dbraw/zinc/34/57/46/1078345746.db2.gz SQZZUMDBFGKBRS-JBACZVJFSA-N 2 2 420.642 2.582 20 0 HFADLP CN(C(=O)C(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000793952605 1078345749 /nfs/dbraw/zinc/34/57/49/1078345749.db2.gz SQZZUMDBFGKBRS-JBACZVJFSA-N 2 2 420.642 2.582 20 0 HFADLP Clc1ccc2c(n1)CC[C@H]2[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000806147600 1079467517 /nfs/dbraw/zinc/46/75/17/1079467517.db2.gz YVXXXXIOMBKUFK-NVXWUHKLSA-N 2 2 414.941 2.608 20 0 HFADLP CC(C)(C)OC(=O)N1CCO[C@H]([C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C2CC2)C1 ZINC000788432066 1077144776 /nfs/dbraw/zinc/14/47/76/1077144776.db2.gz WVCZXMTYMBDASP-ICSRJNTNSA-N 2 2 404.555 2.766 20 0 HFADLP CC(C)(C)OC(=O)N1CCO[C@@H]([C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C2CC2)C1 ZINC000788432068 1077144786 /nfs/dbraw/zinc/14/47/86/1077144786.db2.gz WVCZXMTYMBDASP-UYAOXDASSA-N 2 2 404.555 2.766 20 0 HFADLP CC(C)CC[C@]1(C2CC2)NC(=O)N(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000789445277 1077577705 /nfs/dbraw/zinc/57/77/05/1077577705.db2.gz SSOISJDABYCVII-HSZRJFAPSA-N 2 2 420.598 2.658 20 0 HFADLP C[NH+]1CCC(CNC(=O)CC2(NC(=O)OC(C)(C)C)CCC2)([NH+]2CCCCC2)CC1 ZINC000746863498 1077852952 /nfs/dbraw/zinc/85/29/52/1077852952.db2.gz XYGUQIGNOCLABF-UHFFFAOYSA-N 2 2 422.614 2.890 20 0 HFADLP C[C@@H](SCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[C@@H](C)SCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000790283696 1077984398 /nfs/dbraw/zinc/98/43/98/1077984398.db2.gz RWHCXCFEAZXYDB-CPPNMTBBSA-N 2 2 400.654 2.956 20 0 HFADLP C[C@@H](SCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[C@@H](C)SCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000790283696 1077984400 /nfs/dbraw/zinc/98/44/00/1077984400.db2.gz RWHCXCFEAZXYDB-CPPNMTBBSA-N 2 2 400.654 2.956 20 0 HFADLP CC[N@H+](CCC1CC[NH+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1)CC(C)C ZINC000790376805 1078018692 /nfs/dbraw/zinc/01/86/92/1078018692.db2.gz WHABFFLHTXRFOQ-HSZRJFAPSA-N 3 2 406.615 2.941 20 0 HFADLP CC[N@@H+](CCC1CC[NH+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1)CC(C)C ZINC000790376805 1078018698 /nfs/dbraw/zinc/01/86/98/1078018698.db2.gz WHABFFLHTXRFOQ-HSZRJFAPSA-N 3 2 406.615 2.941 20 0 HFADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)cn1 ZINC000806495458 1079746223 /nfs/dbraw/zinc/74/62/23/1079746223.db2.gz QTJPNKXPGIKYSB-NRFANRHFSA-N 2 2 404.518 2.644 20 0 HFADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)cn1 ZINC000806495458 1079746233 /nfs/dbraw/zinc/74/62/33/1079746233.db2.gz QTJPNKXPGIKYSB-NRFANRHFSA-N 2 2 404.518 2.644 20 0 HFADLP [NH3+]C1CC2(C1)CCN(c1ncccc1C(=O)N1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001164387725 718801773 /nfs/dbraw/zinc/80/17/73/718801773.db2.gz NHTUSNOENRIROB-UHFFFAOYSA-N 2 2 419.573 2.747 20 0 HFADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)c2c1C ZINC001164666449 719442060 /nfs/dbraw/zinc/44/20/60/719442060.db2.gz CLSCISJIEJEFEJ-IAGOWNOFSA-N 2 2 401.580 2.813 20 0 HFADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)c2c1C ZINC001164666449 719442070 /nfs/dbraw/zinc/44/20/70/719442070.db2.gz CLSCISJIEJEFEJ-IAGOWNOFSA-N 2 2 401.580 2.813 20 0 HFADLP C[NH+]1CCN(c2cccc(N3CCO[C@@]4(CCC[C@@H]4COc4ccccn4)C3)[nH+]2)CC1 ZINC001164735820 720539320 /nfs/dbraw/zinc/53/93/20/720539320.db2.gz RUPHJUYAPSJHCI-YKSBVNFPSA-N 2 2 423.561 2.683 20 0 HFADLP COc1cc2[nH+]c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)ccc2c(OC)c1 ZINC001164768088 721234289 /nfs/dbraw/zinc/23/42/89/721234289.db2.gz XVZICBHFMKWMEA-ROUUACIJSA-N 2 2 407.518 2.944 20 0 HFADLP COc1cc2[nH+]c(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)ccc2c(OC)c1 ZINC001164768088 721234293 /nfs/dbraw/zinc/23/42/93/721234293.db2.gz XVZICBHFMKWMEA-ROUUACIJSA-N 2 2 407.518 2.944 20 0 HFADLP Cc1nc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)cc(C2CCCCC2)[nH+]1 ZINC001164797841 721518046 /nfs/dbraw/zinc/51/80/46/721518046.db2.gz OTULILYZVKMTNW-UHFFFAOYSA-N 2 2 409.582 2.797 20 0 HFADLP Cc1cc(N2CCCC2)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)[nH+]1 ZINC001164796189 721523218 /nfs/dbraw/zinc/52/32/18/721523218.db2.gz XQCVKAJWXNEDMU-JAXLGGSGSA-N 2 2 408.550 2.648 20 0 HFADLP Cc1cc(N2CCCC2)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)[nH+]1 ZINC001164796189 721523220 /nfs/dbraw/zinc/52/32/20/721523220.db2.gz XQCVKAJWXNEDMU-JAXLGGSGSA-N 2 2 408.550 2.648 20 0 HFADLP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(N3CCCCC3)[nH+]cn2)[C@@H]2CCCO[C@@H]12 ZINC001164803941 721576108 /nfs/dbraw/zinc/57/61/08/721576108.db2.gz JWNYKBQEFPXFHD-TXTKFYIRSA-N 2 2 408.550 2.730 20 0 HFADLP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(N3CCCCC3)[nH+]cn2)[C@@H]2CCCO[C@@H]12 ZINC001164803941 721576109 /nfs/dbraw/zinc/57/61/09/721576109.db2.gz JWNYKBQEFPXFHD-TXTKFYIRSA-N 2 2 408.550 2.730 20 0 HFADLP CCOC(=O)c1c[nH]c2cc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)[nH+]cc21 ZINC001165009085 721711131 /nfs/dbraw/zinc/71/11/31/721711131.db2.gz PANHATDSNHFCCQ-UHFFFAOYSA-N 2 2 411.510 2.582 20 0 HFADLP CCOC(=O)c1c[nH]c2cc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)[nH+]cc21 ZINC001165009085 721711139 /nfs/dbraw/zinc/71/11/39/721711139.db2.gz PANHATDSNHFCCQ-UHFFFAOYSA-N 2 2 411.510 2.582 20 0 HFADLP Cc1c[nH+]c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1N1CCCC1 ZINC001164978205 722098979 /nfs/dbraw/zinc/09/89/79/722098979.db2.gz GESKSEBFPUUXLC-LEWJYISDSA-N 2 2 408.550 2.508 20 0 HFADLP Cc1c[nH+]c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1N1CCCC1 ZINC001164978205 722098980 /nfs/dbraw/zinc/09/89/80/722098980.db2.gz GESKSEBFPUUXLC-LEWJYISDSA-N 2 2 408.550 2.508 20 0 HFADLP c1cncc(C[N@@H+]2CCO[C@H]3CN(c4nc(N5CCCCC5)cc[nH+]4)CC[C@H]3C2)c1 ZINC001164972706 722128680 /nfs/dbraw/zinc/12/86/80/722128680.db2.gz AIBJWLJPOQOBHQ-SFTDATJTSA-N 2 2 408.550 2.589 20 0 HFADLP c1cncc(C[N@H+]2CCO[C@H]3CN(c4nc(N5CCCCC5)cc[nH+]4)CC[C@H]3C2)c1 ZINC001164972706 722128686 /nfs/dbraw/zinc/12/86/86/722128686.db2.gz AIBJWLJPOQOBHQ-SFTDATJTSA-N 2 2 408.550 2.589 20 0 HFADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cnn(Cc2ccccc2)c1Cl ZINC000790533376 1078052808 /nfs/dbraw/zinc/05/28/08/1078052808.db2.gz NHNWMALNJZJVJO-IBGZPJMESA-N 2 2 403.958 2.617 20 0 HFADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cnn(Cc2ccccc2)c1Cl ZINC000790533376 1078052812 /nfs/dbraw/zinc/05/28/12/1078052812.db2.gz NHNWMALNJZJVJO-IBGZPJMESA-N 2 2 403.958 2.617 20 0 HFADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000788247756 1077086348 /nfs/dbraw/zinc/08/63/48/1077086348.db2.gz IPRUIOHYVQCWBU-OTWHNJEPSA-N 2 2 410.603 2.745 20 0 HFADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000788247756 1077086354 /nfs/dbraw/zinc/08/63/54/1077086354.db2.gz IPRUIOHYVQCWBU-OTWHNJEPSA-N 2 2 410.603 2.745 20 0 HFADLP [NH2+]=C(NOCc1ncc(Br)s1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000788506874 1077185928 /nfs/dbraw/zinc/18/59/28/1077185928.db2.gz YTBUKJMXYHJBNM-ZDUSSCGKSA-N 2 2 411.325 2.805 20 0 HFADLP [NH2+]=C(NOCc1ncc(Br)s1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000788506874 1077185930 /nfs/dbraw/zinc/18/59/30/1077185930.db2.gz YTBUKJMXYHJBNM-ZDUSSCGKSA-N 2 2 411.325 2.805 20 0 HFADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCC(C)([NH+]3CCCC3)CC1)CC2 ZINC001170145998 1077247283 /nfs/dbraw/zinc/24/72/83/1077247283.db2.gz KPGVDNINMYZWBI-UHFFFAOYSA-N 2 2 401.551 2.539 20 0 HFADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCC(C)([NH+]3CCCC3)CC1)CC2 ZINC001170145998 1077247289 /nfs/dbraw/zinc/24/72/89/1077247289.db2.gz KPGVDNINMYZWBI-UHFFFAOYSA-N 2 2 401.551 2.539 20 0 HFADLP CCC[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H](O)c1ccccc1 ZINC000792057275 1077663626 /nfs/dbraw/zinc/66/36/26/1077663626.db2.gz ORZZZYCVXHXXKD-VXKWHMMOSA-N 2 2 402.583 2.747 20 0 HFADLP CN(C)c1ccc([NH+]2CCC(NS(=O)(=O)c3ccc(C[NH+](C)C)cc3)CC2)cc1 ZINC000790026771 1077918242 /nfs/dbraw/zinc/91/82/42/1077918242.db2.gz KOOCKHZTDOCJPO-UHFFFAOYSA-N 2 2 416.591 2.762 20 0 HFADLP CC(C)[C@H](CC[N@H+](C)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)NC(=O)OC(C)(C)C ZINC000790363684 1078005144 /nfs/dbraw/zinc/00/51/44/1078005144.db2.gz BJQAEHVORDIIEX-AVRDEDQJSA-N 2 2 424.586 2.732 20 0 HFADLP CC(C)[C@H](CC[N@@H+](C)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)NC(=O)OC(C)(C)C ZINC000790363684 1078005149 /nfs/dbraw/zinc/00/51/49/1078005149.db2.gz BJQAEHVORDIIEX-AVRDEDQJSA-N 2 2 424.586 2.732 20 0 HFADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]C1(C(N)=O)CC[NH+](Cc2ccccc2)CC1 ZINC001170421913 1078009250 /nfs/dbraw/zinc/00/92/50/1078009250.db2.gz SPNSQJAWWGDWSX-HXUWFJFHSA-N 2 2 409.530 2.846 20 0 HFADLP C[C@H](c1ccccc1Cl)[NH+]1CCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790365345 1078015171 /nfs/dbraw/zinc/01/51/71/1078015171.db2.gz FYVLGGPXLVZWKX-VGOFRKELSA-N 2 2 418.969 2.893 20 0 HFADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790372965 1078017041 /nfs/dbraw/zinc/01/70/41/1078017041.db2.gz XKRCYIXNWPMOPL-JTSKRJEESA-N 2 2 418.969 2.893 20 0 HFADLP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)cc1 ZINC000806495412 1079745657 /nfs/dbraw/zinc/74/56/57/1079745657.db2.gz QBNFERJMAQKJNC-HXUWFJFHSA-N 2 2 408.506 2.686 20 0 HFADLP CN(C(=O)c1cc(Br)ncc1Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000807071468 1080254753 /nfs/dbraw/zinc/25/47/53/1080254753.db2.gz KQMQPAQEHOQHTA-CYBMUJFWSA-N 2 2 415.763 2.738 20 0 HFADLP CN(C(=O)c1cc(Br)ncc1Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000807071468 1080254760 /nfs/dbraw/zinc/25/47/60/1080254760.db2.gz KQMQPAQEHOQHTA-CYBMUJFWSA-N 2 2 415.763 2.738 20 0 HFADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC000301667337 719467271 /nfs/dbraw/zinc/46/72/71/719467271.db2.gz OXUHVJUVNVLSKE-QZTJIDSGSA-N 2 2 409.559 2.939 20 0 HFADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC000301667337 719467279 /nfs/dbraw/zinc/46/72/79/719467279.db2.gz OXUHVJUVNVLSKE-QZTJIDSGSA-N 2 2 409.559 2.939 20 0 HFADLP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(Cn3cncn3)c[nH+]1)CC2 ZINC001164795062 721499854 /nfs/dbraw/zinc/49/98/54/721499854.db2.gz CDTLXFMTNTUCGA-UHFFFAOYSA-N 2 2 403.534 2.997 20 0 HFADLP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(Cn3cncn3)c[nH+]1)CC2 ZINC001164795062 721499858 /nfs/dbraw/zinc/49/98/58/721499858.db2.gz CDTLXFMTNTUCGA-UHFFFAOYSA-N 2 2 403.534 2.997 20 0 HFADLP C[NH+]1CCN(c2ccc(N3CC(c4[nH+]cn5cc(-c6ccoc6)ccc45)C3)nn2)CC1 ZINC001165014771 721766572 /nfs/dbraw/zinc/76/65/72/721766572.db2.gz IRZAUZNLTVTPMQ-UHFFFAOYSA-N 2 2 415.501 2.740 20 0 HFADLP CCOC(=O)c1c[nH]c2cc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)[nH+]cc21 ZINC001164918737 721818289 /nfs/dbraw/zinc/81/82/89/721818289.db2.gz SNAXPDUTXMHBEH-UHFFFAOYSA-N 2 2 408.506 2.686 20 0 HFADLP CC(=O)N1CC[C@]2(c3ccccc3)CCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@H]12 ZINC001164947319 721967096 /nfs/dbraw/zinc/96/70/96/721967096.db2.gz QKODODGLZUVAFT-DHLKQENFSA-N 2 2 419.573 2.602 20 0 HFADLP c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4nc(N5CCCCC5)cc[nH+]4)CC[C@@H]3C2)c1 ZINC001164972699 722129005 /nfs/dbraw/zinc/12/90/05/722129005.db2.gz AIBJWLJPOQOBHQ-NHCUHLMSSA-N 2 2 408.550 2.589 20 0 HFADLP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4nc(N5CCCCC5)cc[nH+]4)CC[C@@H]3C2)c1 ZINC001164972699 722129007 /nfs/dbraw/zinc/12/90/07/722129007.db2.gz AIBJWLJPOQOBHQ-NHCUHLMSSA-N 2 2 408.550 2.589 20 0 HFADLP CN(C(=O)C(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000793952603 1078345665 /nfs/dbraw/zinc/34/56/65/1078345665.db2.gz SQZZUMDBFGKBRS-GIVPXCGWSA-N 2 2 420.642 2.582 20 0 HFADLP CN(C(=O)C(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000793952603 1078345669 /nfs/dbraw/zinc/34/56/69/1078345669.db2.gz SQZZUMDBFGKBRS-GIVPXCGWSA-N 2 2 420.642 2.582 20 0 HFADLP C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000804373501 1078438040 /nfs/dbraw/zinc/43/80/40/1078438040.db2.gz UNQSTLSEWYBUHG-ATZDWAIDSA-N 2 2 416.541 2.661 20 0 HFADLP C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000804373501 1078438041 /nfs/dbraw/zinc/43/80/41/1078438041.db2.gz UNQSTLSEWYBUHG-ATZDWAIDSA-N 2 2 416.541 2.661 20 0 HFADLP CC(C)(C(=O)OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[NH+]1CCCC1 ZINC000805610394 1079174210 /nfs/dbraw/zinc/17/42/10/1079174210.db2.gz IQGTWOVIOUIIOH-UHFFFAOYSA-N 2 2 405.564 2.592 20 0 HFADLP CCOC(=O)[C@@H]1[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)CCN1C(=O)OC(C)(C)C ZINC000787752650 1076927725 /nfs/dbraw/zinc/92/77/25/1076927725.db2.gz ZJWIVUNAMJOVPN-MJGOQNOKSA-N 2 2 414.506 2.903 20 0 HFADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000788247764 1077086362 /nfs/dbraw/zinc/08/63/62/1077086362.db2.gz IPRUIOHYVQCWBU-QYZOEREBSA-N 2 2 410.603 2.745 20 0 HFADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000788247764 1077086367 /nfs/dbraw/zinc/08/63/67/1077086367.db2.gz IPRUIOHYVQCWBU-QYZOEREBSA-N 2 2 410.603 2.745 20 0 HFADLP C[N@H+](CCc1ccc(Br)cc1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790363719 1078005056 /nfs/dbraw/zinc/00/50/56/1078005056.db2.gz UYXVTDHKWWBEBJ-LJQANCHMSA-N 2 2 408.340 2.798 20 0 HFADLP C[N@@H+](CCc1ccc(Br)cc1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790363719 1078005060 /nfs/dbraw/zinc/00/50/60/1078005060.db2.gz UYXVTDHKWWBEBJ-LJQANCHMSA-N 2 2 408.340 2.798 20 0 HFADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)cn1 ZINC000806495461 1079746405 /nfs/dbraw/zinc/74/64/05/1079746405.db2.gz QTJPNKXPGIKYSB-OAQYLSRUSA-N 2 2 404.518 2.644 20 0 HFADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)cn1 ZINC000806495461 1079746413 /nfs/dbraw/zinc/74/64/13/1079746413.db2.gz QTJPNKXPGIKYSB-OAQYLSRUSA-N 2 2 404.518 2.644 20 0 HFADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccccc3CSC3=NCCS3)C2)CC1 ZINC000747389653 1080476216 /nfs/dbraw/zinc/47/62/16/1080476216.db2.gz MGJVJMSEBMYQCZ-QGZVFWFLSA-N 2 2 418.632 2.921 20 0 HFADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccccc3CSC3=NCCS3)C2)CC1 ZINC000747389653 1080476219 /nfs/dbraw/zinc/47/62/19/1080476219.db2.gz MGJVJMSEBMYQCZ-QGZVFWFLSA-N 2 2 418.632 2.921 20 0 HFADLP C[NH+]1CCN(c2cccc(N3CCO[C@@H]4[C@H](OCC5CCCC5)CC[C@@H]43)[nH+]2)CC1 ZINC001164659678 719343318 /nfs/dbraw/zinc/34/33/18/719343318.db2.gz DOUAURUSOLYAMJ-MZKRTTBSSA-N 2 2 400.567 2.776 20 0 HFADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc5[nH]ccc5c(C)[nH+]4)CC3)C2=O)cs1 ZINC001164820748 720377813 /nfs/dbraw/zinc/37/78/13/720377813.db2.gz SXDJDZQESWNIBN-UHFFFAOYSA-N 2 2 424.574 2.949 20 0 HFADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc5[nH]ccc5c(C)[nH+]4)CC3)C2=O)cs1 ZINC001164820748 720377818 /nfs/dbraw/zinc/37/78/18/720377818.db2.gz SXDJDZQESWNIBN-UHFFFAOYSA-N 2 2 424.574 2.949 20 0 HFADLP CN(C)c1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc[nH+]1 ZINC001164751524 720869484 /nfs/dbraw/zinc/86/94/84/720869484.db2.gz KRVKELMKNBAFPF-ZJSXRUAMSA-N 2 2 422.577 2.693 20 0 HFADLP CN(C)c1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc[nH+]1 ZINC001164751524 720869485 /nfs/dbraw/zinc/86/94/85/720869485.db2.gz KRVKELMKNBAFPF-ZJSXRUAMSA-N 2 2 422.577 2.693 20 0 HFADLP O=S(=O)(c1ccccc1)n1ccc2c[nH+]c(N3CC4(C3)CC[N@H+](CC3CC3)C4)nc21 ZINC001164767989 721296351 /nfs/dbraw/zinc/29/63/51/721296351.db2.gz COAIYYWJZIITRG-UHFFFAOYSA-N 2 2 423.542 2.590 20 0 HFADLP O=S(=O)(c1ccccc1)n1ccc2c[nH+]c(N3CC4(C3)CC[N@@H+](CC3CC3)C4)nc21 ZINC001164767989 721296353 /nfs/dbraw/zinc/29/63/53/721296353.db2.gz COAIYYWJZIITRG-UHFFFAOYSA-N 2 2 423.542 2.590 20 0 HFADLP C[N@H+](Cc1ccccn1)[C@H]1CCC[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@H]21 ZINC001165025900 721817553 /nfs/dbraw/zinc/81/75/53/721817553.db2.gz ODNWZCDBFWMQMM-WWNPGLIZSA-N 3 2 420.605 2.965 20 0 HFADLP C[N@@H+](Cc1ccccn1)[C@H]1CCC[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@H]21 ZINC001165025900 721817555 /nfs/dbraw/zinc/81/75/55/721817555.db2.gz ODNWZCDBFWMQMM-WWNPGLIZSA-N 3 2 420.605 2.965 20 0 HFADLP C[NH+]1CCN(c2nccc(N3CCN(c4cc[nH+]c5cc(Cl)ccc54)CC3)n2)CC1 ZINC001165044499 721940187 /nfs/dbraw/zinc/94/01/87/721940187.db2.gz LINVNZXTWKXYRT-UHFFFAOYSA-N 2 2 423.952 2.757 20 0 HFADLP COc1ccc2c(C)cc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)[nH+]c2c1 ZINC001164997257 722235560 /nfs/dbraw/zinc/23/55/60/722235560.db2.gz OUYORVJJMQBTEX-UHFFFAOYSA-N 2 2 418.545 2.699 20 0 HFADLP C[NH+]1CCC(CNC(=O)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)([NH+]2CCCCC2)CC1 ZINC000793573879 1078225701 /nfs/dbraw/zinc/22/57/01/1078225701.db2.gz BJJHZDPAFBAZSP-GOSISDBHSA-N 2 2 422.614 2.698 20 0 HFADLP CN(C(=O)C(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000793952606 1078345717 /nfs/dbraw/zinc/34/57/17/1078345717.db2.gz SQZZUMDBFGKBRS-SESVDKBCSA-N 2 2 420.642 2.582 20 0 HFADLP CN(C(=O)C(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000793952606 1078345720 /nfs/dbraw/zinc/34/57/20/1078345720.db2.gz SQZZUMDBFGKBRS-SESVDKBCSA-N 2 2 420.642 2.582 20 0 HFADLP COC(=O)c1cnc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1C(F)(F)F ZINC000804578829 1078636137 /nfs/dbraw/zinc/63/61/37/1078636137.db2.gz LBUHHVCNJMRQRR-YIONKMFJSA-N 2 2 412.456 2.634 20 0 HFADLP COC(=O)c1cnc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1C(F)(F)F ZINC000804578829 1078636138 /nfs/dbraw/zinc/63/61/38/1078636138.db2.gz LBUHHVCNJMRQRR-YIONKMFJSA-N 2 2 412.456 2.634 20 0 HFADLP CC(C)(C)OC(=O)N1CCO[C@H]([C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C2CC2)C1 ZINC000788432065 1077144783 /nfs/dbraw/zinc/14/47/83/1077144783.db2.gz WVCZXMTYMBDASP-AZUAARDMSA-N 2 2 404.555 2.766 20 0 HFADLP C[NH+]1CCC(C[NH+]2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)CC1 ZINC000788473391 1077171364 /nfs/dbraw/zinc/17/13/64/1077171364.db2.gz IPZQIPAJXDARFI-UHFFFAOYSA-N 2 2 406.379 2.642 20 0 HFADLP C[NH+](C)Cc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc1 ZINC000789727845 1077762896 /nfs/dbraw/zinc/76/28/96/1077762896.db2.gz OODJHEOSELJZHR-UHFFFAOYSA-N 2 2 422.982 2.954 20 0 HFADLP CCS[C@H]1CCC[C@H]1[NH2+]CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001170119658 1077774842 /nfs/dbraw/zinc/77/48/42/1077774842.db2.gz WPYMDZTUCPQBSF-MSOLQXFVSA-N 2 2 405.612 2.821 20 0 HFADLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1ccc(Br)nc1N ZINC001170193627 1077905006 /nfs/dbraw/zinc/90/50/06/1077905006.db2.gz IHMFZUZJASHORV-UHFFFAOYSA-N 2 2 418.383 2.676 20 0 HFADLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1ccc(Br)nc1N ZINC001170193627 1077905008 /nfs/dbraw/zinc/90/50/08/1077905008.db2.gz IHMFZUZJASHORV-UHFFFAOYSA-N 2 2 418.383 2.676 20 0 HFADLP CCC[N@H+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000790362373 1078004790 /nfs/dbraw/zinc/00/47/90/1078004790.db2.gz KZFZLPHHXUGXDS-GCJKJVERSA-N 2 2 422.570 2.582 20 0 HFADLP CCC[N@@H+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000790362373 1078004791 /nfs/dbraw/zinc/00/47/91/1078004791.db2.gz KZFZLPHHXUGXDS-GCJKJVERSA-N 2 2 422.570 2.582 20 0 HFADLP CC(C)[C@@H](CC[N@H+](C)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)NC(=O)OC(C)(C)C ZINC000790363685 1078005256 /nfs/dbraw/zinc/00/52/56/1078005256.db2.gz BJQAEHVORDIIEX-GCJKJVERSA-N 2 2 424.586 2.732 20 0 HFADLP CC(C)[C@@H](CC[N@@H+](C)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)NC(=O)OC(C)(C)C ZINC000790363685 1078005263 /nfs/dbraw/zinc/00/52/63/1078005263.db2.gz BJQAEHVORDIIEX-GCJKJVERSA-N 2 2 424.586 2.732 20 0 HFADLP Cc1ccc(NC(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c(N(C)C)[nH+]1 ZINC000806362570 1079650105 /nfs/dbraw/zinc/65/01/05/1079650105.db2.gz VYPNYHKSEJAPPB-NRFANRHFSA-N 2 2 422.577 2.880 20 0 HFADLP Cc1ccc(NC(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c(N(C)C)[nH+]1 ZINC000806362570 1079650112 /nfs/dbraw/zinc/65/01/12/1079650112.db2.gz VYPNYHKSEJAPPB-NRFANRHFSA-N 2 2 422.577 2.880 20 0 HFADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3nc(Br)sc3C3CC3)C2)CC1 ZINC000806843144 1080029273 /nfs/dbraw/zinc/02/92/73/1080029273.db2.gz DQPRHYFWCXYELZ-GFCCVEGCSA-N 2 2 413.385 2.681 20 0 HFADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3nc(Br)sc3C3CC3)C2)CC1 ZINC000806843144 1080029283 /nfs/dbraw/zinc/02/92/83/1080029283.db2.gz DQPRHYFWCXYELZ-GFCCVEGCSA-N 2 2 413.385 2.681 20 0 HFADLP CCc1ccc([C@H](O)CNC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000806873358 1080073889 /nfs/dbraw/zinc/07/38/89/1080073889.db2.gz ZJBYOPOSZLRJKO-OAQYLSRUSA-N 2 2 402.583 2.532 20 0 HFADLP OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001200424558 1126156268 /nfs/dbraw/zinc/15/62/68/1126156268.db2.gz RVWASUUYRAVDFF-OAQYLSRUSA-N 2 2 409.530 2.572 20 0 HFADLP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)nc1 ZINC001164830555 720399654 /nfs/dbraw/zinc/39/96/54/720399654.db2.gz SCQHUWQMVCTFRN-HXUWFJFHSA-N 2 2 406.538 2.875 20 0 HFADLP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)nc1 ZINC001164830555 720399661 /nfs/dbraw/zinc/39/96/61/720399661.db2.gz SCQHUWQMVCTFRN-HXUWFJFHSA-N 2 2 406.538 2.875 20 0 HFADLP Cc1c[nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1N1CCCC1 ZINC001164836553 720505024 /nfs/dbraw/zinc/50/50/24/720505024.db2.gz NESCFYGSAYGFBB-PWRODBHTSA-N 2 2 409.582 2.960 20 0 HFADLP Cc1c[nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1N1CCCC1 ZINC001164836553 720505025 /nfs/dbraw/zinc/50/50/25/720505025.db2.gz NESCFYGSAYGFBB-PWRODBHTSA-N 2 2 409.582 2.960 20 0 HFADLP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(N3CCCCC3)[nH+]cn2)[C@@H]2CCCO[C@H]12 ZINC001164803943 721576128 /nfs/dbraw/zinc/57/61/28/721576128.db2.gz JWNYKBQEFPXFHD-VIZSFHNOSA-N 2 2 408.550 2.730 20 0 HFADLP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(N3CCCCC3)[nH+]cn2)[C@@H]2CCCO[C@H]12 ZINC001164803943 721576130 /nfs/dbraw/zinc/57/61/30/721576130.db2.gz JWNYKBQEFPXFHD-VIZSFHNOSA-N 2 2 408.550 2.730 20 0 HFADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3c1CC[NH2+]C3)C2 ZINC001164910045 721748709 /nfs/dbraw/zinc/74/87/09/721748709.db2.gz ZKMGKTYCXKEMCN-UHFFFAOYSA-N 2 2 424.936 2.958 20 0 HFADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3c1CC[NH2+]C3)C2 ZINC001164910045 721748715 /nfs/dbraw/zinc/74/87/15/721748715.db2.gz ZKMGKTYCXKEMCN-UHFFFAOYSA-N 2 2 424.936 2.958 20 0 HFADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@H]21 ZINC001165025896 721817586 /nfs/dbraw/zinc/81/75/86/721817586.db2.gz ODNWZCDBFWMQMM-MDNUFGMLSA-N 3 2 420.605 2.965 20 0 HFADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@H]21 ZINC001165025896 721817587 /nfs/dbraw/zinc/81/75/87/721817587.db2.gz ODNWZCDBFWMQMM-MDNUFGMLSA-N 3 2 420.605 2.965 20 0 HFADLP O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164946831 721978388 /nfs/dbraw/zinc/97/83/88/721978388.db2.gz LKIVRGNABZTSJK-UHFFFAOYSA-N 2 2 419.573 2.648 20 0 HFADLP O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164946831 721978390 /nfs/dbraw/zinc/97/83/90/721978390.db2.gz LKIVRGNABZTSJK-UHFFFAOYSA-N 2 2 419.573 2.648 20 0 HFADLP Cc1c[nH+]c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1N1CCCC1 ZINC001164978207 722099008 /nfs/dbraw/zinc/09/90/08/722099008.db2.gz GESKSEBFPUUXLC-NHCUHLMSSA-N 2 2 408.550 2.508 20 0 HFADLP Cc1c[nH+]c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1N1CCCC1 ZINC001164978207 722099009 /nfs/dbraw/zinc/09/90/09/722099009.db2.gz GESKSEBFPUUXLC-NHCUHLMSSA-N 2 2 408.550 2.508 20 0 HFADLP C[NH+]1CCN(c2ncnc3c2CC[N@H+](C(C)(C)c2ccnc(Cl)c2)CC3)CC1 ZINC001165005509 722240379 /nfs/dbraw/zinc/24/03/79/722240379.db2.gz UGOQYXANBQRGAY-UHFFFAOYSA-N 2 2 400.958 2.613 20 0 HFADLP Cc1nc(SC(F)F)sc1CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000793492516 1078201172 /nfs/dbraw/zinc/20/11/72/1078201172.db2.gz VBKSYAPTFFMAPC-GFCCVEGCSA-N 2 2 404.552 2.593 20 0 HFADLP Cc1nc(SC(F)F)sc1CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000793492516 1078201175 /nfs/dbraw/zinc/20/11/75/1078201175.db2.gz VBKSYAPTFFMAPC-GFCCVEGCSA-N 2 2 404.552 2.593 20 0 HFADLP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000787880742 1076975589 /nfs/dbraw/zinc/97/55/89/1076975589.db2.gz UJNPXRBANORWGW-UHFFFAOYSA-N 2 2 405.502 2.969 20 0 HFADLP CCOC(=O)[C@H]1[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCN1C(=O)OC(C)(C)C ZINC000788641155 1077243466 /nfs/dbraw/zinc/24/34/66/1077243466.db2.gz VMZZGLVTYTTWQW-RTBURBONSA-N 2 2 414.506 2.903 20 0 HFADLP CC(C)[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[C@@H](O)c1ccccc1 ZINC000789040681 1077391566 /nfs/dbraw/zinc/39/15/66/1077391566.db2.gz VIUKVUDHXFVQHH-YADHBBJMSA-N 2 2 416.610 2.994 20 0 HFADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]C1(C(N)=O)CC[NH+](Cc2ccccc2)CC1 ZINC001170421912 1078009309 /nfs/dbraw/zinc/00/93/09/1078009309.db2.gz SPNSQJAWWGDWSX-FQEVSTJZSA-N 2 2 409.530 2.846 20 0 HFADLP Cc1ccc(CC[N@H+](C[C@H]2CCCO2)CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)cc1 ZINC000790365949 1078014957 /nfs/dbraw/zinc/01/49/57/1078014957.db2.gz IVWUKOJYYCKBGM-VWNXMTODSA-N 2 2 413.562 2.893 20 0 HFADLP Cc1ccc(CC[N@@H+](C[C@H]2CCCO2)CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)cc1 ZINC000790365949 1078014963 /nfs/dbraw/zinc/01/49/63/1078014963.db2.gz IVWUKOJYYCKBGM-VWNXMTODSA-N 2 2 413.562 2.893 20 0 HFADLP COC(=O)c1c2cnn(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)c2ccc1Br ZINC000790442653 1078033133 /nfs/dbraw/zinc/03/31/33/1078033133.db2.gz OGSNOJVGLNUHAF-CJNGLKHVSA-N 2 2 421.339 2.959 20 0 HFADLP COC(=O)c1c2cnn(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)c2ccc1Br ZINC000790442653 1078033139 /nfs/dbraw/zinc/03/31/39/1078033139.db2.gz OGSNOJVGLNUHAF-CJNGLKHVSA-N 2 2 421.339 2.959 20 0 HFADLP COC(=O)c1c2cnn(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)c2ccc1Br ZINC000790442653 1078033143 /nfs/dbraw/zinc/03/31/43/1078033143.db2.gz OGSNOJVGLNUHAF-CJNGLKHVSA-N 2 2 421.339 2.959 20 0 HFADLP COC(=O)c1c2cnn(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)c2ccc1Br ZINC000790442653 1078033148 /nfs/dbraw/zinc/03/31/48/1078033148.db2.gz OGSNOJVGLNUHAF-CJNGLKHVSA-N 2 2 421.339 2.959 20 0 HFADLP CCOC(=O)C1CC[NH+](C2CCN(c3nc(NCC4CC4)c(C)c[nH+]3)CC2)CC1 ZINC001164614126 719020710 /nfs/dbraw/zinc/02/07/10/719020710.db2.gz COLDIOONVSQWNX-UHFFFAOYSA-N 2 2 401.555 2.851 20 0 HFADLP CCOC(=O)C1CC[NH+](C2CCN(c3[nH+]cc(C)cc3/C=C\C(=O)OC)CC2)CC1 ZINC001164618010 719029995 /nfs/dbraw/zinc/02/99/95/719029995.db2.gz UKSGBAVRQRUAIM-WAYWQWQTSA-N 2 2 415.534 2.820 20 0 HFADLP CCOC(=O)C1CC[NH+](C2CCN(c3cc(N4CCC[C@@H](C)C4)[nH+]cn3)CC2)CC1 ZINC001164617625 719033167 /nfs/dbraw/zinc/03/31/67/719033167.db2.gz OEFPAKSJEOTFDG-GOSISDBHSA-N 2 2 415.582 2.957 20 0 HFADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)n1 ZINC000301667335 719467017 /nfs/dbraw/zinc/46/70/17/719467017.db2.gz OXUHVJUVNVLSKE-MSOLQXFVSA-N 2 2 409.559 2.939 20 0 HFADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)n1 ZINC000301667335 719467019 /nfs/dbraw/zinc/46/70/19/719467019.db2.gz OXUHVJUVNVLSKE-MSOLQXFVSA-N 2 2 409.559 2.939 20 0 HFADLP C[NH+]1CCN(c2cccc(N3CCO[C@]4(CCC[C@H]4COc4ccccn4)C3)[nH+]2)CC1 ZINC001164735817 720540106 /nfs/dbraw/zinc/54/01/06/720540106.db2.gz RUPHJUYAPSJHCI-GBXCKJPGSA-N 2 2 423.561 2.683 20 0 HFADLP Cc1cccc2c(C)cc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)[nH+]c12 ZINC001164874372 721263279 /nfs/dbraw/zinc/26/32/79/721263279.db2.gz KUJQKKUIOGMVNY-UHFFFAOYSA-N 2 2 410.562 2.859 20 0 HFADLP Cc1cccc2c(C)cc(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)[nH+]c12 ZINC001164874372 721263282 /nfs/dbraw/zinc/26/32/82/721263282.db2.gz KUJQKKUIOGMVNY-UHFFFAOYSA-N 2 2 410.562 2.859 20 0 HFADLP C[C@@H]1CCCN(c2cc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nc[nH+]2)C1 ZINC001164800178 721584871 /nfs/dbraw/zinc/58/48/71/721584871.db2.gz CILIGHKGDJQGPA-HWXYTADMSA-N 2 2 422.577 2.976 20 0 HFADLP C[C@@H]1CCCN(c2cc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nc[nH+]2)C1 ZINC001164800178 721584874 /nfs/dbraw/zinc/58/48/74/721584874.db2.gz CILIGHKGDJQGPA-HWXYTADMSA-N 2 2 422.577 2.976 20 0 HFADLP c1cncc(C[N@@H+]2CCO[C@H]3CN(c4nc(N5CCCCC5)cc[nH+]4)CC[C@@H]3C2)c1 ZINC001164972702 722128920 /nfs/dbraw/zinc/12/89/20/722128920.db2.gz AIBJWLJPOQOBHQ-RTWAWAEBSA-N 2 2 408.550 2.589 20 0 HFADLP c1cncc(C[N@H+]2CCO[C@H]3CN(c4nc(N5CCCCC5)cc[nH+]4)CC[C@@H]3C2)c1 ZINC001164972702 722128923 /nfs/dbraw/zinc/12/89/23/722128923.db2.gz AIBJWLJPOQOBHQ-RTWAWAEBSA-N 2 2 408.550 2.589 20 0 HFADLP Cn1cc[nH+]c1[C@@H]1CCCN(c2cncc(N3CCC[C@@H](c4[nH+]ccn4C)C3)n2)C1 ZINC000804662296 1078731100 /nfs/dbraw/zinc/73/11/00/1078731100.db2.gz SQLFHCKMLOOBOC-QZTJIDSGSA-N 2 2 406.538 2.712 20 0 HFADLP Cc1ccccc1[C@@H](O)C1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000805139355 1078936660 /nfs/dbraw/zinc/93/66/60/1078936660.db2.gz REGHGKLGRLFQLE-OFNKIYASSA-N 2 2 414.594 2.619 20 0 HFADLP Cc1ccccc1[C@@H](O)C1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000805139355 1078936664 /nfs/dbraw/zinc/93/66/64/1078936664.db2.gz REGHGKLGRLFQLE-OFNKIYASSA-N 2 2 414.594 2.619 20 0 HFADLP Clc1ccc2c(n1)CC[C@@H]2[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000806147602 1079467480 /nfs/dbraw/zinc/46/74/80/1079467480.db2.gz YVXXXXIOMBKUFK-WBVHZDCISA-N 2 2 414.941 2.608 20 0 HFADLP O=c1c(Br)nn(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c2ccccc12 ZINC000788380324 1077136137 /nfs/dbraw/zinc/13/61/37/1077136137.db2.gz FRPZVZYBNSRZOD-CQSZACIVSA-N 2 2 401.264 2.665 20 0 HFADLP O=c1c(Br)nn(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c2ccccc12 ZINC000788380324 1077136139 /nfs/dbraw/zinc/13/61/39/1077136139.db2.gz FRPZVZYBNSRZOD-CQSZACIVSA-N 2 2 401.264 2.665 20 0 HFADLP C[NH+]1CCC(C[NH+]2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)CC1 ZINC000788471810 1077170347 /nfs/dbraw/zinc/17/03/47/1077170347.db2.gz UDZQOVJVAPSPHQ-UHFFFAOYSA-N 2 2 406.379 2.642 20 0 HFADLP CCOC(=O)[C@@H]1[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCN1C(=O)OC(C)(C)C ZINC000788641152 1077243441 /nfs/dbraw/zinc/24/34/41/1077243441.db2.gz VMZZGLVTYTTWQW-OALUTQOASA-N 2 2 414.506 2.903 20 0 HFADLP CCC(C)(C)c1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000790960498 1077254807 /nfs/dbraw/zinc/25/48/07/1077254807.db2.gz ZQNKXNVUJVCJEC-NRFANRHFSA-N 2 2 414.594 2.940 20 0 HFADLP CCC(C)(C)c1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000790960498 1077254811 /nfs/dbraw/zinc/25/48/11/1077254811.db2.gz ZQNKXNVUJVCJEC-NRFANRHFSA-N 2 2 414.594 2.940 20 0 HFADLP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000789019696 1077386472 /nfs/dbraw/zinc/38/64/72/1077386472.db2.gz ASPJBNVDHBWRGL-OAQYLSRUSA-N 2 2 415.582 2.752 20 0 HFADLP CC(C)CC[C@@]1(C2CC2)NC(=O)N(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000789445280 1077577697 /nfs/dbraw/zinc/57/76/97/1077577697.db2.gz SSOISJDABYCVII-QHCPKHFHSA-N 2 2 420.598 2.658 20 0 HFADLP C[C@@H](c1ccccc1Cl)[NH+]1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790365342 1078015116 /nfs/dbraw/zinc/01/51/16/1078015116.db2.gz FYVLGGPXLVZWKX-JTSKRJEESA-N 2 2 418.969 2.893 20 0 HFADLP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCc2cccnc2-n2cc[nH+]c2C)cc1 ZINC000806506524 1079757882 /nfs/dbraw/zinc/75/78/82/1079757882.db2.gz XHOSJVMGQZCMBB-HXUWFJFHSA-N 2 2 408.506 2.686 20 0 HFADLP CC(C)Cc1ccc([C@H](CNC(=S)NCCC[NH+]2CCOCC2)[NH+](C)C)cc1 ZINC000806603093 1079844757 /nfs/dbraw/zinc/84/47/57/1079844757.db2.gz GKKUBWPMOPVDTA-NRFANRHFSA-N 2 2 406.640 2.674 20 0 HFADLP CCOC(=O)C1CC[NH+](C2CCN(c3[nH+]cc(C)cc3/C=C/C(=O)OC)CC2)CC1 ZINC001164618008 719030350 /nfs/dbraw/zinc/03/03/50/719030350.db2.gz UKSGBAVRQRUAIM-AATRIKPKSA-N 2 2 415.534 2.820 20 0 HFADLP Cc1c[nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1N1CCCC1 ZINC001164836551 720504560 /nfs/dbraw/zinc/50/45/60/720504560.db2.gz NESCFYGSAYGFBB-NJDAHSKKSA-N 2 2 409.582 2.960 20 0 HFADLP Cc1c[nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1N1CCCC1 ZINC001164836551 720504565 /nfs/dbraw/zinc/50/45/65/720504565.db2.gz NESCFYGSAYGFBB-NJDAHSKKSA-N 2 2 409.582 2.960 20 0 HFADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4O[C@@H](COCc5ccccn5)CC[C@@H]43)[nH+]2)CC1 ZINC001164843999 720775421 /nfs/dbraw/zinc/77/54/21/720775421.db2.gz BGCASWAIJZLIAV-FSSWDIPSSA-N 2 2 423.561 2.572 20 0 HFADLP Cc1[nH]c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1C ZINC001164737385 720831008 /nfs/dbraw/zinc/83/10/08/720831008.db2.gz AQDANPSLYDOKDO-IPMKNSEASA-N 2 2 406.538 2.546 20 0 HFADLP Cc1[nH]c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1C ZINC001164737385 720831010 /nfs/dbraw/zinc/83/10/10/720831010.db2.gz AQDANPSLYDOKDO-IPMKNSEASA-N 2 2 406.538 2.546 20 0 HFADLP c1[nH+]cn2c1CN(c1ccc(C[NH+]3CCCC3)cn1)C[C@H](COc1cccnc1)C2 ZINC001164769976 721275163 /nfs/dbraw/zinc/27/51/63/721275163.db2.gz QLHHZGPCUZCBHV-FQEVSTJZSA-N 2 2 404.518 2.984 20 0 HFADLP Cc1nc(-n2cncn2)cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)[nH+]1 ZINC001164795506 721502941 /nfs/dbraw/zinc/50/29/41/721502941.db2.gz KMAKJAODTNSTFG-UHFFFAOYSA-N 2 2 404.522 2.642 20 0 HFADLP Cc1nc(-n2cncn2)cc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)[nH+]1 ZINC001164795506 721502944 /nfs/dbraw/zinc/50/29/44/721502944.db2.gz KMAKJAODTNSTFG-UHFFFAOYSA-N 2 2 404.522 2.642 20 0 HFADLP Cc1cc(N2CCCC2)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)[nH+]1 ZINC001164796192 721523901 /nfs/dbraw/zinc/52/39/01/721523901.db2.gz XQCVKAJWXNEDMU-URVUXULASA-N 2 2 408.550 2.648 20 0 HFADLP Cc1cc(N2CCCC2)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)[nH+]1 ZINC001164796192 721523904 /nfs/dbraw/zinc/52/39/04/721523904.db2.gz XQCVKAJWXNEDMU-URVUXULASA-N 2 2 408.550 2.648 20 0 HFADLP C[C@@H]1CCCN(c2cc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nc[nH+]2)C1 ZINC001164800181 721585111 /nfs/dbraw/zinc/58/51/11/721585111.db2.gz CILIGHKGDJQGPA-ZGDJDIHISA-N 2 2 422.577 2.976 20 0 HFADLP C[C@@H]1CCCN(c2cc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nc[nH+]2)C1 ZINC001164800181 721585114 /nfs/dbraw/zinc/58/51/14/721585114.db2.gz CILIGHKGDJQGPA-ZGDJDIHISA-N 2 2 422.577 2.976 20 0 HFADLP CN(CC1CC[NH+](C)CC1)c1ncccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001165042121 721934975 /nfs/dbraw/zinc/93/49/75/721934975.db2.gz GGKPOIXJVUKDQS-UHFFFAOYSA-N 2 2 421.589 2.818 20 0 HFADLP CCOC(=O)c1c(C)cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH+]c1C ZINC001164971462 722125519 /nfs/dbraw/zinc/12/55/19/722125519.db2.gz COLHISKXBJMJKG-NHCUHLMSSA-N 2 2 424.545 2.997 20 0 HFADLP CCOC(=O)c1c(C)cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH+]c1C ZINC001164971462 722125523 /nfs/dbraw/zinc/12/55/23/722125523.db2.gz COLHISKXBJMJKG-NHCUHLMSSA-N 2 2 424.545 2.997 20 0 HFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)CC2)CC1 ZINC000790707646 1078102735 /nfs/dbraw/zinc/10/27/35/1078102735.db2.gz BLNMZUZONUJIOE-AEFFLSMTSA-N 2 2 403.398 2.770 20 0 HFADLP CN(C(=O)C(F)(F)C1CCOCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000790819324 1078154485 /nfs/dbraw/zinc/15/44/85/1078154485.db2.gz XCYRKVGPOUJMMW-MOPGFXCFSA-N 2 2 401.542 2.844 20 0 HFADLP CN(C(=O)C(F)(F)C1CCOCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000790819324 1078154488 /nfs/dbraw/zinc/15/44/88/1078154488.db2.gz XCYRKVGPOUJMMW-MOPGFXCFSA-N 2 2 401.542 2.844 20 0 HFADLP CN(C(=O)C(F)(F)C1CCOCC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000790819327 1078154507 /nfs/dbraw/zinc/15/45/07/1078154507.db2.gz XCYRKVGPOUJMMW-RBUKOAKNSA-N 2 2 401.542 2.844 20 0 HFADLP CN(C(=O)C(F)(F)C1CCOCC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000790819327 1078154508 /nfs/dbraw/zinc/15/45/08/1078154508.db2.gz XCYRKVGPOUJMMW-RBUKOAKNSA-N 2 2 401.542 2.844 20 0 HFADLP COC(=O)c1cnc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C(F)(F)F ZINC000804397835 1078462174 /nfs/dbraw/zinc/46/21/74/1078462174.db2.gz IPOJFARYDNIMMB-UHFFFAOYSA-N 2 2 400.445 2.858 20 0 HFADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000805637599 1079190235 /nfs/dbraw/zinc/19/02/35/1079190235.db2.gz VNBVLQDJTWCPSO-GOSISDBHSA-N 2 2 411.550 2.505 20 0 HFADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000805637599 1079190236 /nfs/dbraw/zinc/19/02/36/1079190236.db2.gz VNBVLQDJTWCPSO-GOSISDBHSA-N 2 2 411.550 2.505 20 0 HFADLP C[C@@H]([NH2+]Cc1cnc(C2OCCO2)s1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000787926816 1077000469 /nfs/dbraw/zinc/00/04/69/1077000469.db2.gz XNWJVYPIIDNEJR-CQSZACIVSA-N 2 2 406.527 2.930 20 0 HFADLP CCC(C)(C)c1ccc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000790959453 1077254561 /nfs/dbraw/zinc/25/45/61/1077254561.db2.gz ZQWALTLVJJPANK-UHFFFAOYSA-N 2 2 402.583 2.797 20 0 HFADLP CCC(C)(C)c1ccc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000790959453 1077254565 /nfs/dbraw/zinc/25/45/65/1077254565.db2.gz ZQWALTLVJJPANK-UHFFFAOYSA-N 2 2 402.583 2.797 20 0 HFADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000789359087 1077516113 /nfs/dbraw/zinc/51/61/13/1077516113.db2.gz WLXJTBRPGTUYNW-UHFFFAOYSA-N 2 2 423.561 2.874 20 0 HFADLP C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000746861969 1077851745 /nfs/dbraw/zinc/85/17/45/1077851745.db2.gz KKNQHXKIRNTQJN-SFHVURJKSA-N 2 2 410.603 2.556 20 0 HFADLP CC(C)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001691696238 1077993064 /nfs/dbraw/zinc/99/30/64/1077993064.db2.gz RQQLNKQFSZEXFV-FQEVSTJZSA-N 2 2 418.561 2.612 20 0 HFADLP COc1ccccc1COC1CC[NH+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790377658 1078008218 /nfs/dbraw/zinc/00/82/18/1078008218.db2.gz XEBTWBLNSUJHKZ-QHCPKHFHSA-N 2 2 415.534 2.550 20 0 HFADLP O=C1O[C@@]2(CN1C[NH+]1CCC(OCc3ccccc3F)CC1)C[NH+]1CCC2CC1 ZINC000790376690 1078018660 /nfs/dbraw/zinc/01/86/60/1078018660.db2.gz VYCAJOUTASJFIG-JOCHJYFZSA-N 2 2 403.498 2.681 20 0 HFADLP CN(C(=O)c1cc(Br)ncc1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000807071469 1080254626 /nfs/dbraw/zinc/25/46/26/1080254626.db2.gz KQMQPAQEHOQHTA-ZDUSSCGKSA-N 2 2 415.763 2.738 20 0 HFADLP CN(C(=O)c1cc(Br)ncc1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000807071469 1080254632 /nfs/dbraw/zinc/25/46/32/1080254632.db2.gz KQMQPAQEHOQHTA-ZDUSSCGKSA-N 2 2 415.763 2.738 20 0 HFADLP Cc1[nH+]ccn1-c1cc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)ncn1 ZINC001170525515 1080728024 /nfs/dbraw/zinc/72/80/24/1080728024.db2.gz QJYFRLKWBZWCBI-UHFFFAOYSA-N 3 2 401.518 2.880 20 0 HFADLP Cc1[nH+]ccn1-c1ccc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)nn1 ZINC001170525611 1080733701 /nfs/dbraw/zinc/73/37/01/1080733701.db2.gz KORXGVQUWWHMFA-UHFFFAOYSA-N 3 2 401.518 2.880 20 0 HFADLP CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3c(n1)C[NH2+]C3)CC2 ZINC001164664510 719350038 /nfs/dbraw/zinc/35/00/38/719350038.db2.gz WOBDQNUIJGMUGG-UHFFFAOYSA-N 2 2 415.545 2.775 20 0 HFADLP CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3c(n1)C[NH2+]C3)CC2 ZINC001164664510 719350041 /nfs/dbraw/zinc/35/00/41/719350041.db2.gz WOBDQNUIJGMUGG-UHFFFAOYSA-N 2 2 415.545 2.775 20 0 HFADLP Cc1c[nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1N1CCCC1 ZINC001164836554 720505239 /nfs/dbraw/zinc/50/52/39/720505239.db2.gz NESCFYGSAYGFBB-QHAWAJNXSA-N 2 2 409.582 2.960 20 0 HFADLP Cc1c[nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1N1CCCC1 ZINC001164836554 720505249 /nfs/dbraw/zinc/50/52/49/720505249.db2.gz NESCFYGSAYGFBB-QHAWAJNXSA-N 2 2 409.582 2.960 20 0 HFADLP C[N@H+](Cc1ccc(N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)nc1)C1CC1 ZINC001164768140 721275200 /nfs/dbraw/zinc/27/52/00/721275200.db2.gz KMXWTDVZCLVRON-IBGZPJMESA-N 2 2 404.518 2.983 20 0 HFADLP C[N@@H+](Cc1ccc(N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)nc1)C1CC1 ZINC001164768140 721275208 /nfs/dbraw/zinc/27/52/08/721275208.db2.gz KMXWTDVZCLVRON-IBGZPJMESA-N 2 2 404.518 2.983 20 0 HFADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(N(C)C)[nH+]c(C)n3)C2)C1 ZINC001164777706 721335675 /nfs/dbraw/zinc/33/56/75/721335675.db2.gz PKJOZUJHIFHGGS-JOCHJYFZSA-N 2 2 414.554 2.575 20 0 HFADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(N(C)C)[nH+]c(C)n3)C2)C1 ZINC001164777706 721335678 /nfs/dbraw/zinc/33/56/78/721335678.db2.gz PKJOZUJHIFHGGS-JOCHJYFZSA-N 2 2 414.554 2.575 20 0 HFADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(N(C)C)nc(C)[nH+]3)C2)C1 ZINC001164777706 721335685 /nfs/dbraw/zinc/33/56/85/721335685.db2.gz PKJOZUJHIFHGGS-JOCHJYFZSA-N 2 2 414.554 2.575 20 0 HFADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(N(C)C)nc(C)[nH+]3)C2)C1 ZINC001164777706 721335687 /nfs/dbraw/zinc/33/56/87/721335687.db2.gz PKJOZUJHIFHGGS-JOCHJYFZSA-N 2 2 414.554 2.575 20 0 HFADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(N(C)C)[nH+]c(C)n3)C2)C1 ZINC001164777709 721335922 /nfs/dbraw/zinc/33/59/22/721335922.db2.gz PKJOZUJHIFHGGS-QFIPXVFZSA-N 2 2 414.554 2.575 20 0 HFADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(N(C)C)[nH+]c(C)n3)C2)C1 ZINC001164777709 721335927 /nfs/dbraw/zinc/33/59/27/721335927.db2.gz PKJOZUJHIFHGGS-QFIPXVFZSA-N 2 2 414.554 2.575 20 0 HFADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(N(C)C)nc(C)[nH+]3)C2)C1 ZINC001164777709 721335931 /nfs/dbraw/zinc/33/59/31/721335931.db2.gz PKJOZUJHIFHGGS-QFIPXVFZSA-N 2 2 414.554 2.575 20 0 HFADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(N(C)C)nc(C)[nH+]3)C2)C1 ZINC001164777709 721335936 /nfs/dbraw/zinc/33/59/36/721335936.db2.gz PKJOZUJHIFHGGS-QFIPXVFZSA-N 2 2 414.554 2.575 20 0 HFADLP Cc1cc2c(nc[nH+]c2N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)[nH]1 ZINC001164776675 721344080 /nfs/dbraw/zinc/34/40/80/721344080.db2.gz CBKJLFXMULDSOD-JOCHJYFZSA-N 2 2 410.522 2.990 20 0 HFADLP Cc1cc2c(nc[nH+]c2N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)[nH]1 ZINC001164776675 721344084 /nfs/dbraw/zinc/34/40/84/721344084.db2.gz CBKJLFXMULDSOD-JOCHJYFZSA-N 2 2 410.522 2.990 20 0 HFADLP CC(=O)N1CC[C@@]2(c3ccccc3)CCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@H]12 ZINC001164947333 721966940 /nfs/dbraw/zinc/96/69/40/721966940.db2.gz QKODODGLZUVAFT-WIOPSUGQSA-N 2 2 419.573 2.602 20 0 HFADLP CC[NH+](CC)C1CCN(c2[nH+]cnc3c2ccn3S(=O)(=O)c2ccccc2)CC1 ZINC001165052753 722002107 /nfs/dbraw/zinc/00/21/07/722002107.db2.gz DUOVUTSZNDNUIT-UHFFFAOYSA-N 2 2 413.547 2.979 20 0 HFADLP CC[NH+](CC)C1CCN(c2nc3c(ccn3S(=O)(=O)c3ccccc3)c[nH+]2)CC1 ZINC001165054075 722005323 /nfs/dbraw/zinc/00/53/23/722005323.db2.gz YRLMMRBGPXFFJY-UHFFFAOYSA-N 2 2 413.547 2.979 20 0 HFADLP c1ccc(C[N@@H+]2CCc3ncnc(N4CC[NH+](CCc5ccccn5)CC4)c3C2)cc1 ZINC001165053838 722009292 /nfs/dbraw/zinc/00/92/92/722009292.db2.gz MGHCUIWTZJXCCI-UHFFFAOYSA-N 2 2 414.557 2.795 20 0 HFADLP c1ccc(C[N@H+]2CCc3ncnc(N4CC[NH+](CCc5ccccn5)CC4)c3C2)cc1 ZINC001165053838 722009294 /nfs/dbraw/zinc/00/92/94/722009294.db2.gz MGHCUIWTZJXCCI-UHFFFAOYSA-N 2 2 414.557 2.795 20 0 HFADLP Cc1c[nH+]c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1NCC1CC1 ZINC001164986226 722098971 /nfs/dbraw/zinc/09/89/71/722098971.db2.gz YLZKCBYQBJTRAY-NHCUHLMSSA-N 2 2 408.550 2.729 20 0 HFADLP Cc1c[nH+]c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1NCC1CC1 ZINC001164986226 722098973 /nfs/dbraw/zinc/09/89/73/722098973.db2.gz YLZKCBYQBJTRAY-NHCUHLMSSA-N 2 2 408.550 2.729 20 0 HFADLP c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)CC[C@@H]3C2)c1 ZINC001164973279 722138287 /nfs/dbraw/zinc/13/82/87/722138287.db2.gz BQRYRLJOACXHCS-NHCUHLMSSA-N 2 2 408.550 2.589 20 0 HFADLP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)CC[C@@H]3C2)c1 ZINC001164973279 722138288 /nfs/dbraw/zinc/13/82/88/722138288.db2.gz BQRYRLJOACXHCS-NHCUHLMSSA-N 2 2 408.550 2.589 20 0 HFADLP c1cncc(C[N@@H+]2CCO[C@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)CC[C@@H]3C2)c1 ZINC001164973283 722138330 /nfs/dbraw/zinc/13/83/30/722138330.db2.gz BQRYRLJOACXHCS-RTWAWAEBSA-N 2 2 408.550 2.589 20 0 HFADLP c1cncc(C[N@H+]2CCO[C@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)CC[C@@H]3C2)c1 ZINC001164973283 722138332 /nfs/dbraw/zinc/13/83/32/722138332.db2.gz BQRYRLJOACXHCS-RTWAWAEBSA-N 2 2 408.550 2.589 20 0 HFADLP CCOC(=O)[C@@H]1[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)CCN1C(=O)OC(C)(C)C ZINC000787752648 1076927779 /nfs/dbraw/zinc/92/77/79/1076927779.db2.gz ZJWIVUNAMJOVPN-HKUYNNGSSA-N 2 2 414.506 2.903 20 0 HFADLP CC(C)[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H](O)c1ccccc1 ZINC000788942791 1077372773 /nfs/dbraw/zinc/37/27/73/1077372773.db2.gz YDBCOOAPVALPGF-VXKWHMMOSA-N 2 2 402.583 2.602 20 0 HFADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)Nc1ccccc1C(=O)NC1CC1 ZINC000789357868 1077515750 /nfs/dbraw/zinc/51/57/50/1077515750.db2.gz PTLJZFWVXNUEDU-UHFFFAOYSA-N 2 2 421.545 2.930 20 0 HFADLP CC[C@@H]1C[C@H](n2c[nH+]cc2C[C@H]([NH3+])C(=O)Nc2ccc3c(C)cc(=O)oc3c2)CCO1 ZINC001170194071 1077911182 /nfs/dbraw/zinc/91/11/82/1077911182.db2.gz URAXYOMGRQTJGI-POAQFYNOSA-N 2 2 424.501 2.937 20 0 HFADLP Cc1ccc(CC[N@H+](C[C@H]2CCCO2)CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)cc1 ZINC000790365941 1078014918 /nfs/dbraw/zinc/01/49/18/1078014918.db2.gz IVWUKOJYYCKBGM-ISKFKSNPSA-N 2 2 413.562 2.893 20 0 HFADLP Cc1ccc(CC[N@@H+](C[C@H]2CCCO2)CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)cc1 ZINC000790365941 1078014922 /nfs/dbraw/zinc/01/49/22/1078014922.db2.gz IVWUKOJYYCKBGM-ISKFKSNPSA-N 2 2 413.562 2.893 20 0 HFADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790372958 1078016989 /nfs/dbraw/zinc/01/69/89/1078016989.db2.gz XKRCYIXNWPMOPL-HTAPYJJXSA-N 2 2 418.969 2.893 20 0 HFADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790374023 1078017657 /nfs/dbraw/zinc/01/76/57/1078017657.db2.gz SYPFTTKBPRRIEJ-XXBNENTESA-N 3 2 404.599 2.837 20 0 HFADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790374023 1078017662 /nfs/dbraw/zinc/01/76/62/1078017662.db2.gz SYPFTTKBPRRIEJ-XXBNENTESA-N 3 2 404.599 2.837 20 0 HFADLP CC(C)Cc1ccc([C@@H](CNC(=S)NCCC[NH+]2CCOCC2)[NH+](C)C)cc1 ZINC000806603094 1079844645 /nfs/dbraw/zinc/84/46/45/1079844645.db2.gz GKKUBWPMOPVDTA-OAQYLSRUSA-N 2 2 406.640 2.674 20 0 HFADLP CCS(=O)(=O)c1cccnc1-n1cc(CC[NH+]2CCC([NH3+])CC2)c2ccccc21 ZINC001170525159 1080643642 /nfs/dbraw/zinc/64/36/42/1080643642.db2.gz IDCPRMFFHDZRNQ-UHFFFAOYSA-N 2 2 412.559 2.785 20 0 HFADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)n1 ZINC001164389856 718825244 /nfs/dbraw/zinc/82/52/44/718825244.db2.gz JYWSOFKHKPZILV-ROUUACIJSA-N 2 2 409.559 2.987 20 0 HFADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ncccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164643610 719217738 /nfs/dbraw/zinc/21/77/38/719217738.db2.gz ZPIKZRRSUGIPLL-WOJBJXKFSA-N 2 2 407.562 2.568 20 0 HFADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ncccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164643610 719217739 /nfs/dbraw/zinc/21/77/39/719217739.db2.gz ZPIKZRRSUGIPLL-WOJBJXKFSA-N 2 2 407.562 2.568 20 0 HFADLP Cc1cc2ccccc2c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)[nH+]1 ZINC001164831749 720462386 /nfs/dbraw/zinc/46/23/86/720462386.db2.gz PHQSILXTNGFJQR-FQEVSTJZSA-N 2 2 421.545 2.729 20 0 HFADLP COc1ccc2[nH+]c(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)cc(C)c2c1 ZINC001164794146 721513798 /nfs/dbraw/zinc/51/37/98/721513798.db2.gz HPBQZFBURNAXEH-UHFFFAOYSA-N 2 2 406.534 2.516 20 0 HFADLP COC(=O)C1CCN(c2cc[nH+]c(N3CCCC[C@H]3CC[NH+]3CCCC3)n2)CC1 ZINC001165049080 721973498 /nfs/dbraw/zinc/97/34/98/721973498.db2.gz MUBUJWFSXGLNNG-IBGZPJMESA-N 2 2 401.555 2.711 20 0 HFADLP c1cc(C[N@@H+]2CCOCC3(CCN(c4nc(N5CCCCC5)cc[nH+]4)CC3)C2)ccn1 ZINC001164963285 722057557 /nfs/dbraw/zinc/05/75/57/722057557.db2.gz VNNPNDDSWCOMHF-UHFFFAOYSA-N 2 2 422.577 2.981 20 0 HFADLP c1cc(C[N@H+]2CCOCC3(CCN(c4nc(N5CCCCC5)cc[nH+]4)CC3)C2)ccn1 ZINC001164963285 722057558 /nfs/dbraw/zinc/05/75/58/722057558.db2.gz VNNPNDDSWCOMHF-UHFFFAOYSA-N 2 2 422.577 2.981 20 0 HFADLP Fc1cccc(Cn2ccc3c2nc[nH+]c3N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c1 ZINC001164967255 722072616 /nfs/dbraw/zinc/07/26/16/722072616.db2.gz LDVQHPQUQFTQFT-BGYRXZFFSA-N 2 2 407.493 2.918 20 0 HFADLP Fc1cccc(Cn2ccc3c2nc[nH+]c3N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c1 ZINC001164967255 722072617 /nfs/dbraw/zinc/07/26/17/722072617.db2.gz LDVQHPQUQFTQFT-BGYRXZFFSA-N 2 2 407.493 2.918 20 0 HFADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979651 722134538 /nfs/dbraw/zinc/13/45/38/722134538.db2.gz LRGBNHCYEVLNSO-PIDMMKLOSA-N 2 2 422.529 2.699 20 0 HFADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979651 722134539 /nfs/dbraw/zinc/13/45/39/722134539.db2.gz LRGBNHCYEVLNSO-PIDMMKLOSA-N 2 2 422.529 2.699 20 0 HFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NC[C@H]3CCCC[C@@H]3C(C)(C)C)CC2)CC1 ZINC000793945649 1078353837 /nfs/dbraw/zinc/35/38/37/1078353837.db2.gz IHMORDQHOVLWAO-NQIIRXRSSA-N 2 2 420.642 2.630 20 0 HFADLP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001170442903 1078372563 /nfs/dbraw/zinc/37/25/63/1078372563.db2.gz MTLYOOXFDSGERV-LJQANCHMSA-N 2 2 411.550 2.872 20 0 HFADLP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001170442903 1078372567 /nfs/dbraw/zinc/37/25/67/1078372567.db2.gz MTLYOOXFDSGERV-LJQANCHMSA-N 2 2 411.550 2.872 20 0 HFADLP Cc1ccccc1[C@H](O)C1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000805139351 1078936557 /nfs/dbraw/zinc/93/65/57/1078936557.db2.gz REGHGKLGRLFQLE-NFBKMPQASA-N 2 2 414.594 2.619 20 0 HFADLP Cc1ccccc1[C@H](O)C1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000805139351 1078936559 /nfs/dbraw/zinc/93/65/59/1078936559.db2.gz REGHGKLGRLFQLE-NFBKMPQASA-N 2 2 414.594 2.619 20 0 HFADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NOCc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000746731551 1077070642 /nfs/dbraw/zinc/07/06/42/1077070642.db2.gz RTLAOTFVCDXNGS-MRXNPFEDSA-N 2 2 400.445 2.605 20 0 HFADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NOCc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000746731551 1077070648 /nfs/dbraw/zinc/07/06/48/1077070648.db2.gz RTLAOTFVCDXNGS-MRXNPFEDSA-N 2 2 400.445 2.605 20 0 HFADLP O=C1C[C@@]2(CCc3ccccc32)C(=O)N1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788383449 1077137898 /nfs/dbraw/zinc/13/78/98/1077137898.db2.gz YSWWNDGLBVRTON-RUZDIDTESA-N 2 2 418.541 2.999 20 0 HFADLP C[C@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788662403 1077257740 /nfs/dbraw/zinc/25/77/40/1077257740.db2.gz XVUAPPKOJUYORL-SFHVURJKSA-N 2 2 422.614 2.556 20 0 HFADLP CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001170119659 1077774736 /nfs/dbraw/zinc/77/47/36/1077774736.db2.gz WPYMDZTUCPQBSF-QZTJIDSGSA-N 2 2 405.612 2.821 20 0 HFADLP CC[C@H]1C[C@@H](n2c[nH+]cc2C[C@H]([NH3+])C(=O)Nc2ccc3c(C)cc(=O)oc3c2)CCO1 ZINC001170194072 1077911213 /nfs/dbraw/zinc/91/12/13/1077911213.db2.gz URAXYOMGRQTJGI-QRFRQXIXSA-N 2 2 424.501 2.937 20 0 HFADLP O=C(OCc1ccccc1)N1CCC([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000790462012 1078027419 /nfs/dbraw/zinc/02/74/19/1078027419.db2.gz BPADXFRWKDEDSS-XMMPIXPASA-N 2 2 423.557 2.796 20 0 HFADLP O=C(OCc1ccccc1)N1CCC([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000790462012 1078027424 /nfs/dbraw/zinc/02/74/24/1078027424.db2.gz BPADXFRWKDEDSS-XMMPIXPASA-N 2 2 423.557 2.796 20 0 HFADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3nc(Br)sc3C3CC3)C2)CC1 ZINC000806843145 1080029414 /nfs/dbraw/zinc/02/94/14/1080029414.db2.gz DQPRHYFWCXYELZ-LBPRGKRZSA-N 2 2 413.385 2.681 20 0 HFADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3nc(Br)sc3C3CC3)C2)CC1 ZINC000806843145 1080029421 /nfs/dbraw/zinc/02/94/21/1080029421.db2.gz DQPRHYFWCXYELZ-LBPRGKRZSA-N 2 2 413.385 2.681 20 0 HFADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@]3(C)CC(c4ccccc4Cl)=NO3)C2)CC1 ZINC000806844813 1080029801 /nfs/dbraw/zinc/02/98/01/1080029801.db2.gz VJCUWKCJYPNZJE-BTYIYWSLSA-N 2 2 404.942 2.508 20 0 HFADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@]3(C)CC(c4ccccc4Cl)=NO3)C2)CC1 ZINC000806844813 1080029812 /nfs/dbraw/zinc/02/98/12/1080029812.db2.gz VJCUWKCJYPNZJE-BTYIYWSLSA-N 2 2 404.942 2.508 20 0 HFADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@]3(C)CC(c4ccccc4Cl)=NO3)C2)CC1 ZINC000806844816 1080030117 /nfs/dbraw/zinc/03/01/17/1080030117.db2.gz VJCUWKCJYPNZJE-YCRPNKLZSA-N 2 2 404.942 2.508 20 0 HFADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@]3(C)CC(c4ccccc4Cl)=NO3)C2)CC1 ZINC000806844816 1080030128 /nfs/dbraw/zinc/03/01/28/1080030128.db2.gz VJCUWKCJYPNZJE-YCRPNKLZSA-N 2 2 404.942 2.508 20 0 HFADLP CN(C(=O)[C@]1(C)CC(c2ccccc2Cl)=NO1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000807071702 1080254231 /nfs/dbraw/zinc/25/42/31/1080254231.db2.gz ADCZAPWEBIYXBQ-VGSWGCGISA-N 2 2 418.969 2.850 20 0 HFADLP CN(C(=O)[C@]1(C)CC(c2ccccc2Cl)=NO1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000807071702 1080254234 /nfs/dbraw/zinc/25/42/34/1080254234.db2.gz ADCZAPWEBIYXBQ-VGSWGCGISA-N 2 2 418.969 2.850 20 0 HFADLP CN(C(=O)[C@]1(C)CC(c2ccccc2Cl)=NO1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000807071700 1080254290 /nfs/dbraw/zinc/25/42/90/1080254290.db2.gz ADCZAPWEBIYXBQ-JTSKRJEESA-N 2 2 418.969 2.850 20 0 HFADLP CN(C(=O)[C@]1(C)CC(c2ccccc2Cl)=NO1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000807071700 1080254291 /nfs/dbraw/zinc/25/42/91/1080254291.db2.gz ADCZAPWEBIYXBQ-JTSKRJEESA-N 2 2 418.969 2.850 20 0 HFADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccccc3CSC3=NCCS3)C2)CC1 ZINC000747389255 1080477258 /nfs/dbraw/zinc/47/72/58/1080477258.db2.gz MGJVJMSEBMYQCZ-KRWDZBQOSA-N 2 2 418.632 2.921 20 0 HFADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccccc3CSC3=NCCS3)C2)CC1 ZINC000747389255 1080477263 /nfs/dbraw/zinc/47/72/63/1080477263.db2.gz MGJVJMSEBMYQCZ-KRWDZBQOSA-N 2 2 418.632 2.921 20 0 HFADLP C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001308480498 1126166981 /nfs/dbraw/zinc/16/69/81/1126166981.db2.gz YKGFFJQTOHPWCD-QHCPKHFHSA-N 2 2 402.510 2.620 20 0 HFADLP COc1ccc2cc[nH+]c(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c2c1 ZINC001164718131 720191637 /nfs/dbraw/zinc/19/16/37/720191637.db2.gz XKKNWHXCYZWWNK-NRFANRHFSA-N 2 2 422.533 2.588 20 0 HFADLP Cc1c[nH+]c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1NC(C)C ZINC001164820875 720285212 /nfs/dbraw/zinc/28/52/12/720285212.db2.gz YKVLYFHBCBSRRO-MOPGFXCFSA-N 2 2 400.571 2.517 20 0 HFADLP Cc1c[nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1NC(C)C ZINC001164741353 720808053 /nfs/dbraw/zinc/80/80/53/720808053.db2.gz BBDKKKHJGGEDQR-XUVXKRRUSA-N 2 2 410.570 2.576 20 0 HFADLP Cc1c[nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1NC(C)C ZINC001164741353 720808054 /nfs/dbraw/zinc/80/80/54/720808054.db2.gz BBDKKKHJGGEDQR-XUVXKRRUSA-N 2 2 410.570 2.576 20 0 HFADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)c12 ZINC001164859826 720938808 /nfs/dbraw/zinc/93/88/08/720938808.db2.gz NUOPJGHSGBOHJS-AWEZNQCLSA-N 2 2 411.510 2.753 20 0 HFADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)c12 ZINC001164859826 720938814 /nfs/dbraw/zinc/93/88/14/720938814.db2.gz NUOPJGHSGBOHJS-AWEZNQCLSA-N 2 2 411.510 2.753 20 0 HFADLP CCOC(=O)c1c[nH]c2cc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)[nH+]cc21 ZINC001164881196 721134856 /nfs/dbraw/zinc/13/48/56/721134856.db2.gz ZRHPQBHNGZBFIN-QZTJIDSGSA-N 2 2 421.501 2.614 20 0 HFADLP CCOC(=O)c1c[nH]c2cc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)[nH+]cc21 ZINC001164881196 721134868 /nfs/dbraw/zinc/13/48/68/721134868.db2.gz ZRHPQBHNGZBFIN-QZTJIDSGSA-N 2 2 421.501 2.614 20 0 HFADLP c1[nH+]cn2c1CN(c1ccc(C[NH+]3CCCC3)cn1)C[C@@H](COc1cccnc1)C2 ZINC001164769977 721275409 /nfs/dbraw/zinc/27/54/09/721275409.db2.gz QLHHZGPCUZCBHV-HXUWFJFHSA-N 2 2 404.518 2.984 20 0 HFADLP COC(=O)C1CCN(c2cc[nH+]c(N3CCCC[C@@H]3CC[NH+]3CCCC3)n2)CC1 ZINC001165049081 721973551 /nfs/dbraw/zinc/97/35/51/721973551.db2.gz MUBUJWFSXGLNNG-LJQANCHMSA-N 2 2 401.555 2.711 20 0 HFADLP COc1c[nH+]ccc1N1CC[NH+](Cc2cc3ccccc3nc2N2CCOCC2)CC1 ZINC000793371798 1078151773 /nfs/dbraw/zinc/15/17/73/1078151773.db2.gz ZBDGZNJBSXWDAL-UHFFFAOYSA-N 2 2 419.529 2.797 20 0 HFADLP CC(C)[NH+]1CCN(C2CC[NH+](CN3CC[C@H](CCc4ccccc4)C3=O)CC2)CC1 ZINC000793510420 1078194792 /nfs/dbraw/zinc/19/47/92/1078194792.db2.gz BURXSNJSUNBBCW-QHCPKHFHSA-N 2 2 412.622 2.916 20 0 HFADLP CCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(C[NH+](C)C)c(F)c2)[C@@H]1c1c[nH+]cn1C ZINC000793607772 1078224238 /nfs/dbraw/zinc/22/42/38/1078224238.db2.gz AHARJIHFFVEVST-DYESRHJHSA-N 2 2 415.513 2.949 20 0 HFADLP C[NH+]1CCC(CNC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)([NH+]2CCCCC2)CC1 ZINC000793573880 1078225747 /nfs/dbraw/zinc/22/57/47/1078225747.db2.gz BJJHZDPAFBAZSP-SFHVURJKSA-N 2 2 422.614 2.698 20 0 HFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NC[C@@H]3CCCC[C@H]3C(C)(C)C)CC2)CC1 ZINC000793945648 1078353865 /nfs/dbraw/zinc/35/38/65/1078353865.db2.gz IHMORDQHOVLWAO-GHTZIAJQSA-N 2 2 420.642 2.630 20 0 HFADLP C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000804373502 1078438074 /nfs/dbraw/zinc/43/80/74/1078438074.db2.gz UNQSTLSEWYBUHG-AYOQOUSVSA-N 2 2 416.541 2.661 20 0 HFADLP C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000804373502 1078438077 /nfs/dbraw/zinc/43/80/77/1078438077.db2.gz UNQSTLSEWYBUHG-AYOQOUSVSA-N 2 2 416.541 2.661 20 0 HFADLP CC(C)(C)OC(=O)N1CCO[C@@H]([C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C2CC2)C1 ZINC000788432067 1077144792 /nfs/dbraw/zinc/14/47/92/1077144792.db2.gz WVCZXMTYMBDASP-QUCCMNQESA-N 2 2 404.555 2.766 20 0 HFADLP COC(=O)Cc1cc(N(CC[NH3+])c2nc3ccc(C)cc3n3c(C)cnc23)cc[nH+]1 ZINC001170149223 1077306702 /nfs/dbraw/zinc/30/67/02/1077306702.db2.gz PTELUDCZDVYSMG-UHFFFAOYSA-N 2 2 404.474 2.707 20 0 HFADLP CCS[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001170119661 1077774746 /nfs/dbraw/zinc/77/47/46/1077774746.db2.gz WPYMDZTUCPQBSF-ZWKOTPCHSA-N 2 2 405.612 2.821 20 0 HFADLP Cc1ccc(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)c(C[NH+]2CCOCC2)c1 ZINC001170167475 1077866205 /nfs/dbraw/zinc/86/62/05/1077866205.db2.gz IZFPJDZVDDPDJZ-UHFFFAOYSA-N 2 2 409.534 2.695 20 0 HFADLP CCOC(=O)c1ccc(OC(=O)CCCCCNC(=[NH2+])Nc2c[nH+]cn2C)cc1 ZINC001170268995 1077923253 /nfs/dbraw/zinc/92/32/53/1077923253.db2.gz HHFBXCZGDBEEEK-UHFFFAOYSA-N 2 2 401.467 2.699 20 0 HFADLP CN(C(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000807071699 1080254263 /nfs/dbraw/zinc/25/42/63/1080254263.db2.gz ADCZAPWEBIYXBQ-HTAPYJJXSA-N 2 2 418.969 2.850 20 0 HFADLP CN(C(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000807071699 1080254267 /nfs/dbraw/zinc/25/42/67/1080254267.db2.gz ADCZAPWEBIYXBQ-HTAPYJJXSA-N 2 2 418.969 2.850 20 0 HFADLP C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001308480496 1126167059 /nfs/dbraw/zinc/16/70/59/1126167059.db2.gz YKGFFJQTOHPWCD-HSZRJFAPSA-N 2 2 402.510 2.620 20 0 HFADLP Cc1nc2c(n1-c1nc(Cl)nc3c1C[N@H+](Cc1ccccc1)CC3)CC[NH2+]CC2 ZINC001164427064 718949627 /nfs/dbraw/zinc/94/96/27/718949627.db2.gz ADBNBPARWBASBH-UHFFFAOYSA-N 2 2 408.937 2.871 20 0 HFADLP Cc1nc2c(n1-c1nc(Cl)nc3c1C[N@@H+](Cc1ccccc1)CC3)CC[NH2+]CC2 ZINC001164427064 718949636 /nfs/dbraw/zinc/94/96/36/718949636.db2.gz ADBNBPARWBASBH-UHFFFAOYSA-N 2 2 408.937 2.871 20 0 HFADLP CCOC(=O)C1CC[NH+](C2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)CC1 ZINC001164616469 719031521 /nfs/dbraw/zinc/03/15/21/719031521.db2.gz CVISCPDLQSFHTQ-UHFFFAOYSA-N 2 2 401.555 2.711 20 0 HFADLP COc1ccc2cc[nH+]c(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c2c1 ZINC001164718132 720191420 /nfs/dbraw/zinc/19/14/20/720191420.db2.gz XKKNWHXCYZWWNK-OAQYLSRUSA-N 2 2 422.533 2.588 20 0 HFADLP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(Cn3cncn3)c[nH+]1)CC2 ZINC001164839741 720712420 /nfs/dbraw/zinc/71/24/20/720712420.db2.gz MSMULGOBPMUUMY-JOCHJYFZSA-N 2 2 418.545 2.981 20 0 HFADLP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(Cn3cncn3)c[nH+]1)CC2 ZINC001164839741 720712433 /nfs/dbraw/zinc/71/24/33/720712433.db2.gz MSMULGOBPMUUMY-JOCHJYFZSA-N 2 2 418.545 2.981 20 0 HFADLP Cc1c[nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1NCC1CC1 ZINC001164750393 720808359 /nfs/dbraw/zinc/80/83/59/720808359.db2.gz VLBVVEKUKFJZID-QHAWAJNXSA-N 2 2 422.581 2.578 20 0 HFADLP Cc1c[nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1NCC1CC1 ZINC001164750393 720808360 /nfs/dbraw/zinc/80/83/60/720808360.db2.gz VLBVVEKUKFJZID-QHAWAJNXSA-N 2 2 422.581 2.578 20 0 HFADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C)[nH+]c4c3CCC4)C2)C1 ZINC001164779929 721361323 /nfs/dbraw/zinc/36/13/23/721361323.db2.gz ASMKHBCGAZCNGF-QHCPKHFHSA-N 2 2 411.550 2.998 20 0 HFADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C)[nH+]c4c3CCC4)C2)C1 ZINC001164779929 721361326 /nfs/dbraw/zinc/36/13/26/721361326.db2.gz ASMKHBCGAZCNGF-QHCPKHFHSA-N 2 2 411.550 2.998 20 0 HFADLP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc[nH+]c(N3CCCCC3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164802931 721575089 /nfs/dbraw/zinc/57/50/89/721575089.db2.gz IVCFXYATLQDHJG-KCZVDYSFSA-N 2 2 408.550 2.730 20 0 HFADLP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc[nH+]c(N3CCCCC3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164802931 721575094 /nfs/dbraw/zinc/57/50/94/721575094.db2.gz IVCFXYATLQDHJG-KCZVDYSFSA-N 2 2 408.550 2.730 20 0 HFADLP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc[nH+]c(N3CCCCC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164802937 721575417 /nfs/dbraw/zinc/57/54/17/721575417.db2.gz IVCFXYATLQDHJG-TUNNFDKTSA-N 2 2 408.550 2.730 20 0 HFADLP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc[nH+]c(N3CCCCC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164802937 721575419 /nfs/dbraw/zinc/57/54/19/721575419.db2.gz IVCFXYATLQDHJG-TUNNFDKTSA-N 2 2 408.550 2.730 20 0 HFADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974903 722115564 /nfs/dbraw/zinc/11/55/64/722115564.db2.gz IVIDXQKPGHJLNK-UXHICEINSA-N 2 2 410.518 2.607 20 0 HFADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974903 722115567 /nfs/dbraw/zinc/11/55/67/722115567.db2.gz IVIDXQKPGHJLNK-UXHICEINSA-N 2 2 410.518 2.607 20 0 HFADLP c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)CC[C@H]3C2)c1 ZINC001164973276 722138210 /nfs/dbraw/zinc/13/82/10/722138210.db2.gz BQRYRLJOACXHCS-LEWJYISDSA-N 2 2 408.550 2.589 20 0 HFADLP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)CC[C@H]3C2)c1 ZINC001164973276 722138213 /nfs/dbraw/zinc/13/82/13/722138213.db2.gz BQRYRLJOACXHCS-LEWJYISDSA-N 2 2 408.550 2.589 20 0 HFADLP C[C@H]1C[C@@H](C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC000793492252 1078200427 /nfs/dbraw/zinc/20/04/27/1078200427.db2.gz BXRGSBGEPFEDNK-ROUUACIJSA-N 2 2 410.603 2.506 20 0 HFADLP C[C@H]1C[C@@H](C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC000793492252 1078200428 /nfs/dbraw/zinc/20/04/28/1078200428.db2.gz BXRGSBGEPFEDNK-ROUUACIJSA-N 2 2 410.603 2.506 20 0 HFADLP [NH2+]=C(NOCc1cccc(Br)n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000793845963 1078313284 /nfs/dbraw/zinc/31/32/84/1078313284.db2.gz YMFDXTZKJAIPIZ-MRXNPFEDSA-N 2 2 405.296 2.744 20 0 HFADLP [NH2+]=C(NOCc1cccc(Br)n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000793845963 1078313287 /nfs/dbraw/zinc/31/32/87/1078313287.db2.gz YMFDXTZKJAIPIZ-MRXNPFEDSA-N 2 2 405.296 2.744 20 0 HFADLP C[C@H]([NH2+]Cc1cnc(C2OCCO2)s1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000787926814 1077000438 /nfs/dbraw/zinc/00/04/38/1077000438.db2.gz XNWJVYPIIDNEJR-AWEZNQCLSA-N 2 2 406.527 2.930 20 0 HFADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000788247750 1077086216 /nfs/dbraw/zinc/08/62/16/1077086216.db2.gz IPRUIOHYVQCWBU-FHWLQOOXSA-N 2 2 410.603 2.745 20 0 HFADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000788247750 1077086223 /nfs/dbraw/zinc/08/62/23/1077086223.db2.gz IPRUIOHYVQCWBU-FHWLQOOXSA-N 2 2 410.603 2.745 20 0 HFADLP O=C1C[C@]2(CCc3ccccc32)C(=O)N1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788383451 1077137831 /nfs/dbraw/zinc/13/78/31/1077137831.db2.gz YSWWNDGLBVRTON-VWLOTQADSA-N 2 2 418.541 2.999 20 0 HFADLP CC(C)[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[C@H](O)c1ccccc1 ZINC000789040677 1077391368 /nfs/dbraw/zinc/39/13/68/1077391368.db2.gz VIUKVUDHXFVQHH-FGZHOGPDSA-N 2 2 416.610 2.994 20 0 HFADLP CCC[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H](O)c1ccccc1 ZINC000792057276 1077663610 /nfs/dbraw/zinc/66/36/10/1077663610.db2.gz ORZZZYCVXHXXKD-YADHBBJMSA-N 2 2 402.583 2.747 20 0 HFADLP O=C(N1C[C@@H]2CC[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C[C@H]2C1)C(F)(F)F ZINC001170280613 1077936603 /nfs/dbraw/zinc/93/66/03/1077936603.db2.gz MKVGLGFQHGXGJE-OALUTQOASA-N 2 2 424.511 2.541 20 0 HFADLP O=C(N1C[C@@H]2CC[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C[C@H]2C1)C(F)(F)F ZINC001170280613 1077936607 /nfs/dbraw/zinc/93/66/07/1077936607.db2.gz MKVGLGFQHGXGJE-OALUTQOASA-N 2 2 424.511 2.541 20 0 HFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@]3(C)CC(c4ccccc4Cl)=NO3)CC2)CC1 ZINC000806709816 1079938836 /nfs/dbraw/zinc/93/88/36/1079938836.db2.gz KVRNIFIVYQQHHM-JOCHJYFZSA-N 2 2 418.969 2.898 20 0 HFADLP Clc1ccc(C[NH+]2CCCC2)c(N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)n1 ZINC001164831532 720397732 /nfs/dbraw/zinc/39/77/32/720397732.db2.gz VWPUMSDEFIJTBD-UHFFFAOYSA-N 2 2 412.929 2.577 20 0 HFADLP Cc1c[nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1N1CCCC1 ZINC001164836552 720504722 /nfs/dbraw/zinc/50/47/22/720504722.db2.gz NESCFYGSAYGFBB-PCCBWWKXSA-N 2 2 409.582 2.960 20 0 HFADLP Cc1c[nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1N1CCCC1 ZINC001164836552 720504724 /nfs/dbraw/zinc/50/47/24/720504724.db2.gz NESCFYGSAYGFBB-PCCBWWKXSA-N 2 2 409.582 2.960 20 0 HFADLP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(N3CC[NH2+]CC3)c[nH+]1)CC2 ZINC001164839726 720705301 /nfs/dbraw/zinc/70/53/01/720705301.db2.gz MQMPGJOFFHNVER-QHCPKHFHSA-N 3 2 421.589 2.751 20 0 HFADLP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(N3CC[NH2+]CC3)c[nH+]1)CC2 ZINC001164839726 720705312 /nfs/dbraw/zinc/70/53/12/720705312.db2.gz MQMPGJOFFHNVER-QHCPKHFHSA-N 3 2 421.589 2.751 20 0 HFADLP CN(C)c1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc[nH+]1 ZINC001164751519 720869824 /nfs/dbraw/zinc/86/98/24/720869824.db2.gz KRVKELMKNBAFPF-URXFXBBRSA-N 2 2 422.577 2.693 20 0 HFADLP CN(C)c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc[nH+]1 ZINC001164751519 720869826 /nfs/dbraw/zinc/86/98/26/720869826.db2.gz KRVKELMKNBAFPF-URXFXBBRSA-N 2 2 422.577 2.693 20 0 HFADLP C[NH+]1CCN(c2cccc(N3CCC[C@@]4(C[C@H](OCc5ccccn5)CO4)C3)[nH+]2)CC1 ZINC001164760804 721029722 /nfs/dbraw/zinc/02/97/22/721029722.db2.gz DIJAPCZIGLMZEZ-XUZZJYLKSA-N 2 2 423.561 2.573 20 0 HFADLP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(N3CCCCC3)[nH+]cn2)[C@H]2CCCO[C@H]12 ZINC001164803939 721576255 /nfs/dbraw/zinc/57/62/55/721576255.db2.gz JWNYKBQEFPXFHD-MZKRTTBSSA-N 2 2 408.550 2.730 20 0 HFADLP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(N3CCCCC3)[nH+]cn2)[C@H]2CCCO[C@H]12 ZINC001164803939 721576259 /nfs/dbraw/zinc/57/62/59/721576259.db2.gz JWNYKBQEFPXFHD-MZKRTTBSSA-N 2 2 408.550 2.730 20 0 HFADLP C[NH+]1CCN(c2cccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)[nH+]2)CC1 ZINC001164955643 722019385 /nfs/dbraw/zinc/01/93/85/722019385.db2.gz LSXIPNNKXDLHTQ-UHFFFAOYSA-N 3 2 406.578 2.721 20 0 HFADLP C[NH+]1CCN(c2cccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)[nH+]2)CC1 ZINC001164955643 722019390 /nfs/dbraw/zinc/01/93/90/722019390.db2.gz LSXIPNNKXDLHTQ-UHFFFAOYSA-N 3 2 406.578 2.721 20 0 HFADLP CCOC(=O)c1c(C)cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH+]c1C ZINC001164971461 722125645 /nfs/dbraw/zinc/12/56/45/722125645.db2.gz COLHISKXBJMJKG-LEWJYISDSA-N 2 2 424.545 2.997 20 0 HFADLP CCOC(=O)c1c(C)cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH+]c1C ZINC001164971461 722125648 /nfs/dbraw/zinc/12/56/48/722125648.db2.gz COLHISKXBJMJKG-LEWJYISDSA-N 2 2 424.545 2.997 20 0 HFADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979653 722133829 /nfs/dbraw/zinc/13/38/29/722133829.db2.gz LRGBNHCYEVLNSO-QDWIBDRMSA-N 2 2 422.529 2.699 20 0 HFADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979653 722133833 /nfs/dbraw/zinc/13/38/33/722133833.db2.gz LRGBNHCYEVLNSO-QDWIBDRMSA-N 2 2 422.529 2.699 20 0 HFADLP C[C@@H]1CCCN(c2cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc[nH+]2)C1 ZINC001164985417 722149470 /nfs/dbraw/zinc/14/94/70/722149470.db2.gz ZJOGRMGSFGLOTA-FCEUIQTBSA-N 2 2 422.577 2.835 20 0 HFADLP C[C@@H]1CCCN(c2cc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc[nH+]2)C1 ZINC001164985417 722149472 /nfs/dbraw/zinc/14/94/72/722149472.db2.gz ZJOGRMGSFGLOTA-FCEUIQTBSA-N 2 2 422.577 2.835 20 0 HFADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cnn(Cc2ccccc2)c1Cl ZINC000790533379 1078052865 /nfs/dbraw/zinc/05/28/65/1078052865.db2.gz NHNWMALNJZJVJO-LJQANCHMSA-N 2 2 403.958 2.617 20 0 HFADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cnn(Cc2ccccc2)c1Cl ZINC000790533379 1078052869 /nfs/dbraw/zinc/05/28/69/1078052869.db2.gz NHNWMALNJZJVJO-LJQANCHMSA-N 2 2 403.958 2.617 20 0 HFADLP CN(C(=O)C(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000793952604 1078345696 /nfs/dbraw/zinc/34/56/96/1078345696.db2.gz SQZZUMDBFGKBRS-HLAWJBBLSA-N 2 2 420.642 2.582 20 0 HFADLP CN(C(=O)C(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000793952604 1078345699 /nfs/dbraw/zinc/34/56/99/1078345699.db2.gz SQZZUMDBFGKBRS-HLAWJBBLSA-N 2 2 420.642 2.582 20 0 HFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NC[C@H]3CCCC[C@H]3C(C)(C)C)CC2)CC1 ZINC000793945651 1078353875 /nfs/dbraw/zinc/35/38/75/1078353875.db2.gz IHMORDQHOVLWAO-WIYYLYMNSA-N 2 2 420.642 2.630 20 0 HFADLP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3ccc(Cn4cc[nH+]c4)cn3)cc2)CC1 ZINC001170488739 1079251382 /nfs/dbraw/zinc/25/13/82/1079251382.db2.gz BYIGDLOBDFRYFG-QHGAOEGBSA-N 2 2 404.518 2.698 20 0 HFADLP C[C@@H]([NH3+])C1CCC(C(=O)N=C2C=C[NH+](c3ccc4nc(C(N)=O)ccc4c3)C=C2)CC1 ZINC001170501197 1079498195 /nfs/dbraw/zinc/49/81/95/1079498195.db2.gz WEYNOCGVKFBGDG-KLAILNCOSA-N 2 2 417.513 2.705 20 0 HFADLP [NH3+]CCN(c1ccc(Cn2cc[nH+]c2)cc1)S(=O)(=O)c1cccc2cnccc21 ZINC001170073846 1076824583 /nfs/dbraw/zinc/82/45/83/1076824583.db2.gz OKFXAHRFOCSTHP-UHFFFAOYSA-N 2 2 407.499 2.634 20 0 HFADLP [NH3+]CCN(c1ccc(F)c(-n2cc[nH+]c2)c1)S(=O)(=O)c1cccc2cnccc21 ZINC001170076219 1076906940 /nfs/dbraw/zinc/90/69/40/1076906940.db2.gz UVZBEOCODWVSIU-UHFFFAOYSA-N 2 2 411.462 2.714 20 0 HFADLP O=C1O[C@@]2(CN1C[NH+]1CCC(Oc3ccc(F)cc3F)CC1)C[NH+]1CCC2CC1 ZINC000790369028 1078015980 /nfs/dbraw/zinc/01/59/80/1078015980.db2.gz OHIHSARFKPOJDC-OAQYLSRUSA-N 2 2 407.461 2.682 20 0 HFADLP CCOC(=O)C1CC[NH+](C2CCN(c3nc(N4CCCC4)c(C)c[nH+]3)CC2)CC1 ZINC001164617772 719020932 /nfs/dbraw/zinc/02/09/32/719020932.db2.gz PGRFNLFHSWLNMD-UHFFFAOYSA-N 2 2 401.555 2.629 20 0 HFADLP C[C@@H]1CN(c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C[N@@H+]1C ZINC001164643608 719218378 /nfs/dbraw/zinc/21/83/78/719218378.db2.gz ZPIKZRRSUGIPLL-UXHICEINSA-N 2 2 407.562 2.568 20 0 HFADLP C[C@@H]1CN(c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C[N@H+]1C ZINC001164643608 719218384 /nfs/dbraw/zinc/21/83/84/719218384.db2.gz ZPIKZRRSUGIPLL-UXHICEINSA-N 2 2 407.562 2.568 20 0 HFADLP CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2 ZINC001164651795 719317064 /nfs/dbraw/zinc/31/70/64/719317064.db2.gz HXPCXLDOHUCRJJ-UHFFFAOYSA-N 3 2 412.582 2.956 20 0 HFADLP Cc1[nH]c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1C ZINC001164737384 720830655 /nfs/dbraw/zinc/83/06/55/720830655.db2.gz AQDANPSLYDOKDO-GUDVDZBRSA-N 2 2 406.538 2.546 20 0 HFADLP Cc1[nH]c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1C ZINC001164737384 720830657 /nfs/dbraw/zinc/83/06/57/720830657.db2.gz AQDANPSLYDOKDO-GUDVDZBRSA-N 2 2 406.538 2.546 20 0 HFADLP CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ccc2c(n1)CC[NH+](Cc1ccccc1)C2 ZINC001164925806 721857724 /nfs/dbraw/zinc/85/77/24/721857724.db2.gz GDUPGUXMQZONPA-RPWUZVMVSA-N 2 2 405.590 2.855 20 0 HFADLP CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1ccc2c(n1)CC[NH+](Cc1ccccc1)C2 ZINC001164925806 721857727 /nfs/dbraw/zinc/85/77/27/721857727.db2.gz GDUPGUXMQZONPA-RPWUZVMVSA-N 2 2 405.590 2.855 20 0 HFADLP CN(C)CC[NH+]1CC[C@H]2[C@H]1CCN2c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164925806 721857728 /nfs/dbraw/zinc/85/77/28/721857728.db2.gz GDUPGUXMQZONPA-RPWUZVMVSA-N 2 2 405.590 2.855 20 0 HFADLP CN(C)CC[NH+]1CC[C@H]2[C@H]1CCN2c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001164925806 721857731 /nfs/dbraw/zinc/85/77/31/721857731.db2.gz GDUPGUXMQZONPA-RPWUZVMVSA-N 2 2 405.590 2.855 20 0 HFADLP C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164925806 721857733 /nfs/dbraw/zinc/85/77/33/721857733.db2.gz GDUPGUXMQZONPA-RPWUZVMVSA-N 2 2 405.590 2.855 20 0 HFADLP C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001164925806 721857735 /nfs/dbraw/zinc/85/77/35/721857735.db2.gz GDUPGUXMQZONPA-RPWUZVMVSA-N 2 2 405.590 2.855 20 0 HFADLP c1cc(C[N@@H+]2CCOCC3(CCN(c4cc[nH+]c(N5CCCCC5)n4)CC3)C2)ccn1 ZINC001164962207 722059402 /nfs/dbraw/zinc/05/94/02/722059402.db2.gz PUQOJIUUAQFJBS-UHFFFAOYSA-N 2 2 422.577 2.981 20 0 HFADLP c1cc(C[N@H+]2CCOCC3(CCN(c4cc[nH+]c(N5CCCCC5)n4)CC3)C2)ccn1 ZINC001164962207 722059405 /nfs/dbraw/zinc/05/94/05/722059405.db2.gz PUQOJIUUAQFJBS-UHFFFAOYSA-N 2 2 422.577 2.981 20 0 HFADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979655 722134114 /nfs/dbraw/zinc/13/41/14/722134114.db2.gz LRGBNHCYEVLNSO-UQMQSGJDSA-N 2 2 422.529 2.699 20 0 HFADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979655 722134121 /nfs/dbraw/zinc/13/41/21/722134121.db2.gz LRGBNHCYEVLNSO-UQMQSGJDSA-N 2 2 422.529 2.699 20 0 HFADLP Cc1c(Br)cccc1CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000790629986 1078067766 /nfs/dbraw/zinc/06/77/66/1078067766.db2.gz GDQDMLBMDPZWFM-GOSISDBHSA-N 2 2 408.384 2.927 20 0 HFADLP Cc1c(Br)cccc1CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000790629986 1078067770 /nfs/dbraw/zinc/06/77/70/1078067770.db2.gz GDQDMLBMDPZWFM-GOSISDBHSA-N 2 2 408.384 2.927 20 0 HFADLP O=C1C[C@@H](Cc2ccccc2)C(=O)N1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788381581 1077136720 /nfs/dbraw/zinc/13/67/20/1077136720.db2.gz FPVGNYSHHORYLD-HXUWFJFHSA-N 2 2 406.530 2.974 20 0 HFADLP C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788662398 1077257758 /nfs/dbraw/zinc/25/77/58/1077257758.db2.gz XVUAPPKOJUYORL-GOSISDBHSA-N 2 2 422.614 2.556 20 0 HFADLP CCC[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H](O)c1ccccc1 ZINC000792057273 1077663566 /nfs/dbraw/zinc/66/35/66/1077663566.db2.gz ORZZZYCVXHXXKD-FCHUYYIVSA-N 2 2 402.583 2.747 20 0 HFADLP CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC001170113212 1077687833 /nfs/dbraw/zinc/68/78/33/1077687833.db2.gz WBQJSSBQFVOLCU-YMPZKCBVSA-N 2 2 409.578 2.687 20 0 HFADLP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC001170113212 1077687837 /nfs/dbraw/zinc/68/78/37/1077687837.db2.gz WBQJSSBQFVOLCU-YMPZKCBVSA-N 2 2 409.578 2.687 20 0 HFADLP C[NH+](C)Cc1ccc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1F ZINC000792211837 1077766227 /nfs/dbraw/zinc/76/62/27/1077766227.db2.gz KBJPIBALBLAISD-UHFFFAOYSA-N 2 2 408.518 2.769 20 0 HFADLP CC(C)[C@H](CC[N@H+](C)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)NC(=O)OC(C)(C)C ZINC000790363686 1078005300 /nfs/dbraw/zinc/00/53/00/1078005300.db2.gz BJQAEHVORDIIEX-PGRDOPGGSA-N 2 2 424.586 2.732 20 0 HFADLP CC(C)[C@H](CC[N@@H+](C)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)NC(=O)OC(C)(C)C ZINC000790363686 1078005307 /nfs/dbraw/zinc/00/53/07/1078005307.db2.gz BJQAEHVORDIIEX-PGRDOPGGSA-N 2 2 424.586 2.732 20 0 HFADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790374012 1078017609 /nfs/dbraw/zinc/01/76/09/1078017609.db2.gz SYPFTTKBPRRIEJ-AUSIDOKSSA-N 3 2 404.599 2.837 20 0 HFADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790374012 1078017614 /nfs/dbraw/zinc/01/76/14/1078017614.db2.gz SYPFTTKBPRRIEJ-AUSIDOKSSA-N 3 2 404.599 2.837 20 0 HFADLP Cc1ccc(NC(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c(N(C)C)[nH+]1 ZINC000806362571 1079650165 /nfs/dbraw/zinc/65/01/65/1079650165.db2.gz VYPNYHKSEJAPPB-OAQYLSRUSA-N 2 2 422.577 2.880 20 0 HFADLP Cc1ccc(NC(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c(N(C)C)[nH+]1 ZINC000806362571 1079650169 /nfs/dbraw/zinc/65/01/69/1079650169.db2.gz VYPNYHKSEJAPPB-OAQYLSRUSA-N 2 2 422.577 2.880 20 0 HFADLP COc1ccc([C@H](C[NH+](C)C)NC(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)cc1 ZINC000806495411 1079745592 /nfs/dbraw/zinc/74/55/92/1079745592.db2.gz QBNFERJMAQKJNC-FQEVSTJZSA-N 2 2 408.506 2.686 20 0 HFADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000806506409 1079756374 /nfs/dbraw/zinc/75/63/74/1079756374.db2.gz SKZZGOOAZCOUIU-OAQYLSRUSA-N 2 2 404.518 2.644 20 0 HFADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000806506409 1079756377 /nfs/dbraw/zinc/75/63/77/1079756377.db2.gz SKZZGOOAZCOUIU-OAQYLSRUSA-N 2 2 404.518 2.644 20 0 HFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@]3(C)CC(c4ccccc4Cl)=NO3)CC2)CC1 ZINC000806709817 1079938764 /nfs/dbraw/zinc/93/87/64/1079938764.db2.gz KVRNIFIVYQQHHM-QFIPXVFZSA-N 2 2 418.969 2.898 20 0 HFADLP Cc1[nH+]ccn1-c1cncc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001170526652 1080753182 /nfs/dbraw/zinc/75/31/82/1080753182.db2.gz UMJLIRXADUYMSN-UHFFFAOYSA-N 3 2 401.518 2.880 20 0 HFADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4[C@@H]([NH3+])[C@@H]4C3)c2c1C ZINC001164440348 718986094 /nfs/dbraw/zinc/98/60/94/718986094.db2.gz MQOVKVISOFCPGJ-HALDLXJZSA-N 2 2 415.563 2.556 20 0 HFADLP CCOC[C@@H]1CN(c2cccc(N3CC[NH+](C)CC3)[nH+]2)Cc2nn(CC3CC3)cc21 ZINC001164663024 719363857 /nfs/dbraw/zinc/36/38/57/719363857.db2.gz HCICENIPHZKYHL-IBGZPJMESA-N 2 2 410.566 2.580 20 0 HFADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2[nH+]ccc3c4c([nH]c32)CCC4)CC1 ZINC001164830224 720351799 /nfs/dbraw/zinc/35/17/99/720351799.db2.gz VOLQJJMXBGEZQH-SFTDATJTSA-N 2 2 407.562 2.963 20 0 HFADLP Cc1c[nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1NCC1CC1 ZINC001164750387 720808291 /nfs/dbraw/zinc/80/82/91/720808291.db2.gz VLBVVEKUKFJZID-NJDAHSKKSA-N 2 2 422.581 2.578 20 0 HFADLP Cc1c[nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1NCC1CC1 ZINC001164750387 720808294 /nfs/dbraw/zinc/80/82/94/720808294.db2.gz VLBVVEKUKFJZID-NJDAHSKKSA-N 2 2 422.581 2.578 20 0 HFADLP Cc1c[nH]c2nc[nH+]c(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c12 ZINC001164778423 721331202 /nfs/dbraw/zinc/33/12/02/721331202.db2.gz WEMZWTZFTUXMKZ-QFIPXVFZSA-N 2 2 410.522 2.990 20 0 HFADLP Cc1c[nH]c2nc[nH+]c(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c12 ZINC001164778423 721331209 /nfs/dbraw/zinc/33/12/09/721331209.db2.gz WEMZWTZFTUXMKZ-QFIPXVFZSA-N 2 2 410.522 2.990 20 0 HFADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(N4CC[NH2+]CC4)c[nH+]3)C[C@H]21 ZINC001165024184 721819987 /nfs/dbraw/zinc/81/99/87/721819987.db2.gz JNEFSGYXJSXMEO-UEVCKROQSA-N 3 2 406.578 2.623 20 0 HFADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(N4CC[NH2+]CC4)c[nH+]3)C[C@H]21 ZINC001165024184 721819990 /nfs/dbraw/zinc/81/99/90/721819990.db2.gz JNEFSGYXJSXMEO-UEVCKROQSA-N 3 2 406.578 2.623 20 0 HFADLP [NH2+]=C(NOCc1cccc(Br)n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000793845956 1078313236 /nfs/dbraw/zinc/31/32/36/1078313236.db2.gz YMFDXTZKJAIPIZ-INIZCTEOSA-N 2 2 405.296 2.744 20 0 HFADLP [NH2+]=C(NOCc1cccc(Br)n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000793845956 1078313241 /nfs/dbraw/zinc/31/32/41/1078313241.db2.gz YMFDXTZKJAIPIZ-INIZCTEOSA-N 2 2 405.296 2.744 20 0 HFADLP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@@]2(C1)COCC[NH+](CCOC)C2 ZINC001170438543 1078322561 /nfs/dbraw/zinc/32/25/61/1078322561.db2.gz TXJQREBOZIDUJR-NFBKMPQASA-N 2 2 404.551 2.797 20 0 HFADLP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCC[C@@]2(C1)COCC[NH+](CCOC)C2 ZINC001170438543 1078322563 /nfs/dbraw/zinc/32/25/63/1078322563.db2.gz TXJQREBOZIDUJR-NFBKMPQASA-N 2 2 404.551 2.797 20 0 HFADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC[C@@]2(C1)COCC[N@H+](CCOC)C2 ZINC001170438543 1078322565 /nfs/dbraw/zinc/32/25/65/1078322565.db2.gz TXJQREBOZIDUJR-NFBKMPQASA-N 2 2 404.551 2.797 20 0 HFADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC[C@@]2(C1)COCC[N@@H+](CCOC)C2 ZINC001170438543 1078322567 /nfs/dbraw/zinc/32/25/67/1078322567.db2.gz TXJQREBOZIDUJR-NFBKMPQASA-N 2 2 404.551 2.797 20 0 HFADLP Cn1cc[nH+]c1[C@H]1CCCN(c2cncc(N3CCC[C@H](c4[nH+]ccn4C)C3)n2)C1 ZINC000804662298 1078731149 /nfs/dbraw/zinc/73/11/49/1078731149.db2.gz SQLFHCKMLOOBOC-ROUUACIJSA-N 2 2 406.538 2.712 20 0 HFADLP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000789019695 1077386506 /nfs/dbraw/zinc/38/65/06/1077386506.db2.gz ASPJBNVDHBWRGL-NRFANRHFSA-N 2 2 415.582 2.752 20 0 HFADLP CC(C)CC[C@@]1(C2CC2)NC(=O)N(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)C1=O ZINC000789439539 1077573337 /nfs/dbraw/zinc/57/33/37/1077573337.db2.gz DCVRFGYVKHEMHJ-QHCPKHFHSA-N 2 2 420.598 2.515 20 0 HFADLP CC(C)CC[C@]1(C2CC2)NC(=O)N(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)C1=O ZINC000789439538 1077573438 /nfs/dbraw/zinc/57/34/38/1077573438.db2.gz DCVRFGYVKHEMHJ-HSZRJFAPSA-N 2 2 420.598 2.515 20 0 HFADLP COc1cccc(CN(CC[NH+](C)C)C(=O)NCc2[nH+]cc(C)c(OC)c2C)c1 ZINC000790193894 1077967565 /nfs/dbraw/zinc/96/75/65/1077967565.db2.gz RMQIZZAPYGEKJK-UHFFFAOYSA-N 2 2 400.523 2.989 20 0 HFADLP C[C@H](SCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[C@H](C)SCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000790283697 1077984489 /nfs/dbraw/zinc/98/44/89/1077984489.db2.gz RWHCXCFEAZXYDB-YDRVBMSGSA-N 2 2 400.654 2.956 20 0 HFADLP C[C@H](SCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[C@H](C)SCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000790283697 1077984492 /nfs/dbraw/zinc/98/44/92/1077984492.db2.gz RWHCXCFEAZXYDB-YDRVBMSGSA-N 2 2 400.654 2.956 20 0 HFADLP CC(C)[C@@H](CC[N@H+](C)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)NC(=O)OC(C)(C)C ZINC000790363687 1078005362 /nfs/dbraw/zinc/00/53/62/1078005362.db2.gz BJQAEHVORDIIEX-XMSQKQJNSA-N 2 2 424.586 2.732 20 0 HFADLP CC(C)[C@@H](CC[N@@H+](C)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)NC(=O)OC(C)(C)C ZINC000790363687 1078005367 /nfs/dbraw/zinc/00/53/67/1078005367.db2.gz BJQAEHVORDIIEX-XMSQKQJNSA-N 2 2 424.586 2.732 20 0 HFADLP CCCCC[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000806321256 1079591772 /nfs/dbraw/zinc/59/17/72/1079591772.db2.gz SKUXKMQTQWIINT-PMACEKPBSA-N 2 2 408.631 2.725 20 0 HFADLP CCCCC[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000806321256 1079591776 /nfs/dbraw/zinc/59/17/76/1079591776.db2.gz SKUXKMQTQWIINT-PMACEKPBSA-N 2 2 408.631 2.725 20 0 HFADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ncccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164643609 719217700 /nfs/dbraw/zinc/21/77/00/719217700.db2.gz ZPIKZRRSUGIPLL-VQTJNVASSA-N 2 2 407.562 2.568 20 0 HFADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ncccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164643609 719217703 /nfs/dbraw/zinc/21/77/03/719217703.db2.gz ZPIKZRRSUGIPLL-VQTJNVASSA-N 2 2 407.562 2.568 20 0 HFADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2[nH+]ccc3c4c([nH]c32)CCC4)CC1 ZINC001164830221 720351623 /nfs/dbraw/zinc/35/16/23/720351623.db2.gz VOLQJJMXBGEZQH-RTWAWAEBSA-N 2 2 407.562 2.963 20 0 HFADLP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(N3CC[NH2+]CC3)c[nH+]1)CC2 ZINC001164839722 720705552 /nfs/dbraw/zinc/70/55/52/720705552.db2.gz MQMPGJOFFHNVER-HSZRJFAPSA-N 3 2 421.589 2.751 20 0 HFADLP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(N3CC[NH2+]CC3)c[nH+]1)CC2 ZINC001164839722 720705562 /nfs/dbraw/zinc/70/55/62/720705562.db2.gz MQMPGJOFFHNVER-HSZRJFAPSA-N 3 2 421.589 2.751 20 0 HFADLP CCOC(=O)c1c[nH]c2cc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)[nH+]cc21 ZINC001164881197 721134261 /nfs/dbraw/zinc/13/42/61/721134261.db2.gz ZRHPQBHNGZBFIN-ROUUACIJSA-N 2 2 421.501 2.614 20 0 HFADLP CCOC(=O)c1c[nH]c2cc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)[nH+]cc21 ZINC001164881197 721134264 /nfs/dbraw/zinc/13/42/64/721134264.db2.gz ZRHPQBHNGZBFIN-ROUUACIJSA-N 2 2 421.501 2.614 20 0 HFADLP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc[nH+]c(N3CCCCC3)n2)[C@H]2CCCO[C@H]12 ZINC001164802940 721575398 /nfs/dbraw/zinc/57/53/98/721575398.db2.gz IVCFXYATLQDHJG-VWPQPMDRSA-N 2 2 408.550 2.730 20 0 HFADLP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc[nH+]c(N3CCCCC3)n2)[C@H]2CCCO[C@H]12 ZINC001164802940 721575402 /nfs/dbraw/zinc/57/54/02/721575402.db2.gz IVCFXYATLQDHJG-VWPQPMDRSA-N 2 2 408.550 2.730 20 0 HFADLP COc1ccc2c[nH+]c(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)cc2c1 ZINC001164916616 721790386 /nfs/dbraw/zinc/79/03/86/721790386.db2.gz RDIHEUAVXKOHQI-XMMPIXPASA-N 2 2 420.513 2.746 20 0 HFADLP COc1ccc2c[nH+]c(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)cc2c1 ZINC001164916616 721790392 /nfs/dbraw/zinc/79/03/92/721790392.db2.gz RDIHEUAVXKOHQI-XMMPIXPASA-N 2 2 420.513 2.746 20 0 HFADLP CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ccc2c(n1)CC[NH+](Cc1ccccc1)C2 ZINC001164925808 721857508 /nfs/dbraw/zinc/85/75/08/721857508.db2.gz GDUPGUXMQZONPA-ZEQRLZLVSA-N 2 2 405.590 2.855 20 0 HFADLP CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1ccc2c(n1)CC[NH+](Cc1ccccc1)C2 ZINC001164925808 721857510 /nfs/dbraw/zinc/85/75/10/721857510.db2.gz GDUPGUXMQZONPA-ZEQRLZLVSA-N 2 2 405.590 2.855 20 0 HFADLP CN(C)CC[NH+]1CC[C@H]2[C@@H]1CCN2c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164925808 721857512 /nfs/dbraw/zinc/85/75/12/721857512.db2.gz GDUPGUXMQZONPA-ZEQRLZLVSA-N 2 2 405.590 2.855 20 0 HFADLP CN(C)CC[NH+]1CC[C@H]2[C@@H]1CCN2c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001164925808 721857514 /nfs/dbraw/zinc/85/75/14/721857514.db2.gz GDUPGUXMQZONPA-ZEQRLZLVSA-N 2 2 405.590 2.855 20 0 HFADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164925808 721857517 /nfs/dbraw/zinc/85/75/17/721857517.db2.gz GDUPGUXMQZONPA-ZEQRLZLVSA-N 2 2 405.590 2.855 20 0 HFADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001164925808 721857519 /nfs/dbraw/zinc/85/75/19/721857519.db2.gz GDUPGUXMQZONPA-ZEQRLZLVSA-N 2 2 405.590 2.855 20 0 HFADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC([NH3+])(C(=O)NCc2ccccc2)CC1 ZINC001170425453 1078068407 /nfs/dbraw/zinc/06/84/07/1078068407.db2.gz PKIGYLDQFJBYJV-FQEVSTJZSA-N 2 2 409.530 2.846 20 0 HFADLP Cc1nc(SC(F)F)sc1CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000793483427 1078189687 /nfs/dbraw/zinc/18/96/87/1078189687.db2.gz MQFZBFYBQQDOFA-CQSZACIVSA-N 2 2 418.579 2.936 20 0 HFADLP Cc1nc(SC(F)F)sc1CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000793483427 1078189690 /nfs/dbraw/zinc/18/96/90/1078189690.db2.gz MQFZBFYBQQDOFA-CQSZACIVSA-N 2 2 418.579 2.936 20 0 HFADLP Cc1nc(SC(F)F)sc1CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000793492653 1078201002 /nfs/dbraw/zinc/20/10/02/1078201002.db2.gz DZKBHUZIGHSEEQ-UHFFFAOYSA-N 2 2 406.568 2.793 20 0 HFADLP Cc1nc(SC(F)F)sc1CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000793492653 1078201005 /nfs/dbraw/zinc/20/10/05/1078201005.db2.gz DZKBHUZIGHSEEQ-UHFFFAOYSA-N 2 2 406.568 2.793 20 0 HFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NC[C@@H]3CCCC[C@@H]3C(C)(C)C)CC2)CC1 ZINC000793945650 1078353817 /nfs/dbraw/zinc/35/38/17/1078353817.db2.gz IHMORDQHOVLWAO-RXVVDRJESA-N 2 2 420.642 2.630 20 0 HFADLP Cc1[nH+]cn(-c2ccc(-n3ccc(=NC(=O)C4CCC([C@@H](C)[NH3+])CC4)cc3)nn2)c1C ZINC001170489280 1079286071 /nfs/dbraw/zinc/28/60/71/1079286071.db2.gz HWTIOMCYDOEYRZ-VNCLNFNDSA-N 2 2 419.533 2.651 20 0 HFADLP Clc1ccc2c(n1)CC[C@@H]2[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000806147601 1079467443 /nfs/dbraw/zinc/46/74/43/1079467443.db2.gz YVXXXXIOMBKUFK-RDJZCZTQSA-N 2 2 414.941 2.608 20 0 HFADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)c1C ZINC000787737290 1076936014 /nfs/dbraw/zinc/93/60/14/1076936014.db2.gz OOYPGAWPBZMCBC-NRFANRHFSA-N 2 2 424.545 2.667 20 0 HFADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790374015 1078017574 /nfs/dbraw/zinc/01/75/74/1078017574.db2.gz SYPFTTKBPRRIEJ-CVDCTZTESA-N 3 2 404.599 2.837 20 0 HFADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790374015 1078017577 /nfs/dbraw/zinc/01/75/77/1078017577.db2.gz SYPFTTKBPRRIEJ-CVDCTZTESA-N 3 2 404.599 2.837 20 0 HFADLP CCCCC[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000806321268 1079591909 /nfs/dbraw/zinc/59/19/09/1079591909.db2.gz SKUXKMQTQWIINT-WOJBJXKFSA-N 2 2 408.631 2.725 20 0 HFADLP CCCCC[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000806321268 1079591918 /nfs/dbraw/zinc/59/19/18/1079591918.db2.gz SKUXKMQTQWIINT-WOJBJXKFSA-N 2 2 408.631 2.725 20 0 HFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(Br)ncc3Cl)CC2)CC1 ZINC000806708767 1079937729 /nfs/dbraw/zinc/93/77/29/1079937729.db2.gz BABSKAROXCHCKH-UHFFFAOYSA-N 2 2 415.763 2.786 20 0 HFADLP CCOC(=O)C1CC[NH+](C2CCN(c3nc(N4CCCCC4)cc[nH+]3)CC2)CC1 ZINC001164618016 719029233 /nfs/dbraw/zinc/02/92/33/719029233.db2.gz ULWXRLFTZOZFEQ-UHFFFAOYSA-N 2 2 401.555 2.711 20 0 HFADLP Cc1c[nH+]c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1NC(C)C ZINC001164820876 720285500 /nfs/dbraw/zinc/28/55/00/720285500.db2.gz YKVLYFHBCBSRRO-OALUTQOASA-N 2 2 400.571 2.517 20 0 HFADLP Cc1[nH]c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1C ZINC001164737382 720830884 /nfs/dbraw/zinc/83/08/84/720830884.db2.gz AQDANPSLYDOKDO-CEXWTWQISA-N 2 2 406.538 2.546 20 0 HFADLP Cc1[nH]c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1C ZINC001164737382 720830887 /nfs/dbraw/zinc/83/08/87/720830887.db2.gz AQDANPSLYDOKDO-CEXWTWQISA-N 2 2 406.538 2.546 20 0 HFADLP CN(C)c1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc[nH+]1 ZINC001164751520 720869730 /nfs/dbraw/zinc/86/97/30/720869730.db2.gz KRVKELMKNBAFPF-XUZZJYLKSA-N 2 2 422.577 2.693 20 0 HFADLP CN(C)c1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc[nH+]1 ZINC001164751520 720869731 /nfs/dbraw/zinc/86/97/31/720869731.db2.gz KRVKELMKNBAFPF-XUZZJYLKSA-N 2 2 422.577 2.693 20 0 HFADLP CCOC(=O)c1c[nH]c2cc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)[nH+]cc21 ZINC001164881195 721135249 /nfs/dbraw/zinc/13/52/49/721135249.db2.gz ZRHPQBHNGZBFIN-MSOLQXFVSA-N 2 2 421.501 2.614 20 0 HFADLP CCOC(=O)c1c[nH]c2cc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)[nH+]cc21 ZINC001164881195 721135252 /nfs/dbraw/zinc/13/52/52/721135252.db2.gz ZRHPQBHNGZBFIN-MSOLQXFVSA-N 2 2 421.501 2.614 20 0 HFADLP c1[nH+]cn2c1CN(c1ncccc1C[NH+]1CCCC1)C[C@H](COc1cccnc1)C2 ZINC001164769066 721276452 /nfs/dbraw/zinc/27/64/52/721276452.db2.gz OBFYZBCDAROKFO-IBGZPJMESA-N 2 2 404.518 2.984 20 0 HFADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(NC4CC4)cc[nH+]3)C2)C1 ZINC001164777048 721330824 /nfs/dbraw/zinc/33/08/24/721330824.db2.gz KZSKPWAUWQJCLM-QFIPXVFZSA-N 2 2 412.538 2.775 20 0 HFADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(NC4CC4)cc[nH+]3)C2)C1 ZINC001164777048 721330827 /nfs/dbraw/zinc/33/08/27/721330827.db2.gz KZSKPWAUWQJCLM-QFIPXVFZSA-N 2 2 412.538 2.775 20 0 HFADLP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(N3CCCCC3)[nH+]cn2)[C@H]2CCCO[C@@H]12 ZINC001164803937 721576344 /nfs/dbraw/zinc/57/63/44/721576344.db2.gz JWNYKBQEFPXFHD-MIZPHKNDSA-N 2 2 408.550 2.730 20 0 HFADLP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(N3CCCCC3)[nH+]cn2)[C@H]2CCCO[C@@H]12 ZINC001164803937 721576345 /nfs/dbraw/zinc/57/63/45/721576345.db2.gz JWNYKBQEFPXFHD-MIZPHKNDSA-N 2 2 408.550 2.730 20 0 HFADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3c1C[NH2+]CC3)C2 ZINC001164907789 721744922 /nfs/dbraw/zinc/74/49/22/721744922.db2.gz ASTKWULWJIICJO-UHFFFAOYSA-N 2 2 424.936 2.958 20 0 HFADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3c1C[NH2+]CC3)C2 ZINC001164907789 721744924 /nfs/dbraw/zinc/74/49/24/721744924.db2.gz ASTKWULWJIICJO-UHFFFAOYSA-N 2 2 424.936 2.958 20 0 HFADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2[nH+]ccc3c2NC(=O)CO3)CC1 ZINC001165023086 721841159 /nfs/dbraw/zinc/84/11/59/721841159.db2.gz XBADRURMUCNDAI-UHFFFAOYSA-N 2 2 412.490 2.531 20 0 HFADLP COC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c12 ZINC001164956243 722019060 /nfs/dbraw/zinc/01/90/60/722019060.db2.gz ZYJQSBOLVQGORU-UHFFFAOYSA-N 2 2 406.490 2.632 20 0 HFADLP COC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c12 ZINC001164956243 722019063 /nfs/dbraw/zinc/01/90/63/722019063.db2.gz ZYJQSBOLVQGORU-UHFFFAOYSA-N 2 2 406.490 2.632 20 0 HFADLP CCN(CC)c1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc[nH+]1 ZINC001164963333 722058526 /nfs/dbraw/zinc/05/85/26/722058526.db2.gz WSVKHNDJIRLGDW-UHFFFAOYSA-N 2 2 410.566 2.837 20 0 HFADLP CCN(CC)c1cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc[nH+]1 ZINC001164963333 722058527 /nfs/dbraw/zinc/05/85/27/722058527.db2.gz WSVKHNDJIRLGDW-UHFFFAOYSA-N 2 2 410.566 2.837 20 0 HFADLP Fc1ccc(Cn2ccc3c2nc[nH+]c3N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)cc1 ZINC001164967972 722072505 /nfs/dbraw/zinc/07/25/05/722072505.db2.gz WPEFBNKWPMJGPC-BGYRXZFFSA-N 2 2 407.493 2.918 20 0 HFADLP Fc1ccc(Cn2ccc3c2nc[nH+]c3N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)cc1 ZINC001164967972 722072507 /nfs/dbraw/zinc/07/25/07/722072507.db2.gz WPEFBNKWPMJGPC-BGYRXZFFSA-N 2 2 407.493 2.918 20 0 HFADLP C[NH+]1CCN(c2cccc(N3CCC4(CC[C@H](C(=O)NCC5CC5)C4)CC3)[nH+]2)CC1 ZINC001164972888 722091739 /nfs/dbraw/zinc/09/17/39/722091739.db2.gz JAUOFLBBJHCWMB-FQEVSTJZSA-N 2 2 411.594 2.746 20 0 HFADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974905 722115082 /nfs/dbraw/zinc/11/50/82/722115082.db2.gz IVIDXQKPGHJLNK-VQTJNVASSA-N 2 2 410.518 2.607 20 0 HFADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974905 722115085 /nfs/dbraw/zinc/11/50/85/722115085.db2.gz IVIDXQKPGHJLNK-VQTJNVASSA-N 2 2 410.518 2.607 20 0 HFADLP COc1ccc2[nH+]c(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)cc(C)c2c1 ZINC001164997217 722233763 /nfs/dbraw/zinc/23/37/63/722233763.db2.gz OALIIWSTYQBWFU-UHFFFAOYSA-N 2 2 418.545 2.699 20 0 HFADLP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000793484063 1078189272 /nfs/dbraw/zinc/18/92/72/1078189272.db2.gz QHKOSQKHMUMUMO-BJLQDIEVSA-N 2 2 422.614 2.649 20 0 HFADLP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000793484063 1078189275 /nfs/dbraw/zinc/18/92/75/1078189275.db2.gz QHKOSQKHMUMUMO-BJLQDIEVSA-N 2 2 422.614 2.649 20 0 HFADLP Cc1nc(SC(F)F)sc1CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000793483422 1078189720 /nfs/dbraw/zinc/18/97/20/1078189720.db2.gz MQFZBFYBQQDOFA-AWEZNQCLSA-N 2 2 418.579 2.936 20 0 HFADLP Cc1nc(SC(F)F)sc1CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000793483422 1078189723 /nfs/dbraw/zinc/18/97/23/1078189723.db2.gz MQFZBFYBQQDOFA-AWEZNQCLSA-N 2 2 418.579 2.936 20 0 HFADLP Cc1c[nH+]cn1CC(=O)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1 ZINC001130013491 1078764366 /nfs/dbraw/zinc/76/43/66/1078764366.db2.gz OLNPUVMEQULLLK-UHFFFAOYSA-N 2 2 403.284 2.669 20 0 HFADLP Cc1cc(N2CCOCC2)ncc1[NH+]1C=CC(=NC(=O)C2CCC([C@@H](C)[NH3+])CC2)C=C1 ZINC001170493798 1079357645 /nfs/dbraw/zinc/35/76/45/1079357645.db2.gz RKNBVAMXBRVRQH-XEVCZEQESA-N 2 2 423.561 2.598 20 0 HFADLP C[NH+](C)Cc1c(F)cc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)cc1F ZINC001170076196 1076906889 /nfs/dbraw/zinc/90/68/89/1076906889.db2.gz TXRPLXDSOHYYMU-UHFFFAOYSA-N 2 2 420.485 2.729 20 0 HFADLP Clc1ccc2c(n1)[C@H]([NH2+][C@@H]1CCCN(c3cc(N4CCOCC4)[nH+]cn3)C1)CC2 ZINC000788637950 1077242170 /nfs/dbraw/zinc/24/21/70/1077242170.db2.gz CUHHGESKRYUUQD-IAGOWNOFSA-N 2 2 414.941 2.608 20 0 HFADLP C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000746861968 1077851645 /nfs/dbraw/zinc/85/16/45/1077851645.db2.gz KKNQHXKIRNTQJN-GOSISDBHSA-N 2 2 410.603 2.556 20 0 HFADLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC001170182930 1077903092 /nfs/dbraw/zinc/90/30/92/1077903092.db2.gz BCNWACHRVWBWRI-HSZRJFAPSA-N 2 2 410.537 2.681 20 0 HFADLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC001170182930 1077903093 /nfs/dbraw/zinc/90/30/93/1077903093.db2.gz BCNWACHRVWBWRI-HSZRJFAPSA-N 2 2 410.537 2.681 20 0 HFADLP O=C(N1C[C@@H]2CC[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C[C@@H]2C1)C(F)(F)F ZINC001170280614 1077936629 /nfs/dbraw/zinc/93/66/29/1077936629.db2.gz MKVGLGFQHGXGJE-RBUKOAKNSA-N 2 2 424.511 2.541 20 0 HFADLP O=C(N1C[C@@H]2CC[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C[C@@H]2C1)C(F)(F)F ZINC001170280614 1077936632 /nfs/dbraw/zinc/93/66/32/1077936632.db2.gz MKVGLGFQHGXGJE-RBUKOAKNSA-N 2 2 424.511 2.541 20 0 HFADLP O=C1O[C@@]2(CN1C[NH+]1CCC(c3nc(-c4ccccc4)no3)CC1)C[NH+]1CCC2CC1 ZINC000790362712 1078004552 /nfs/dbraw/zinc/00/45/52/1078004552.db2.gz NQJDKULKMIQYHF-HSZRJFAPSA-N 2 2 423.517 2.790 20 0 HFADLP CCC[N@H+](CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000790362377 1078004706 /nfs/dbraw/zinc/00/47/06/1078004706.db2.gz KZFZLPHHXUGXDS-XMSQKQJNSA-N 2 2 422.570 2.582 20 0 HFADLP CCC[N@@H+](CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000790362377 1078004713 /nfs/dbraw/zinc/00/47/13/1078004713.db2.gz KZFZLPHHXUGXDS-XMSQKQJNSA-N 2 2 422.570 2.582 20 0 HFADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790362347 1078004882 /nfs/dbraw/zinc/00/48/82/1078004882.db2.gz KLPBKFQPEMRPRB-DEOSSOPVSA-N 3 2 412.578 2.705 20 0 HFADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790362347 1078004887 /nfs/dbraw/zinc/00/48/87/1078004887.db2.gz KLPBKFQPEMRPRB-DEOSSOPVSA-N 3 2 412.578 2.705 20 0 HFADLP COC(=O)c1c2cnn(C[N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)c2ccc1Br ZINC000790443631 1078033569 /nfs/dbraw/zinc/03/35/69/1078033569.db2.gz YOCHMBZJEKOFPJ-LBPRGKRZSA-N 2 2 418.295 2.766 20 0 HFADLP COC(=O)c1c2cnn(C[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)c2ccc1Br ZINC000790443631 1078033572 /nfs/dbraw/zinc/03/35/72/1078033572.db2.gz YOCHMBZJEKOFPJ-LBPRGKRZSA-N 2 2 418.295 2.766 20 0 HFADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@]3(C)CC(c4ccccc4Cl)=NO3)C2)CC1 ZINC000806844815 1080030201 /nfs/dbraw/zinc/03/02/01/1080030201.db2.gz VJCUWKCJYPNZJE-VFNWGFHPSA-N 2 2 404.942 2.508 20 0 HFADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@]3(C)CC(c4ccccc4Cl)=NO3)C2)CC1 ZINC000806844815 1080030212 /nfs/dbraw/zinc/03/02/12/1080030212.db2.gz VJCUWKCJYPNZJE-VFNWGFHPSA-N 2 2 404.942 2.508 20 0 HFADLP OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001200424556 1126156345 /nfs/dbraw/zinc/15/63/45/1126156345.db2.gz RVWASUUYRAVDFF-NRFANRHFSA-N 2 2 409.530 2.572 20 0 HFADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3[NH2+]CCO[C@H]3C2)n1 ZINC001164389854 718825403 /nfs/dbraw/zinc/82/54/03/718825403.db2.gz JYWSOFKHKPZILV-MSOLQXFVSA-N 2 2 409.559 2.987 20 0 HFADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc5[nH]ccc5c[nH+]4)CC3)C2=O)cs1 ZINC001164825493 720361104 /nfs/dbraw/zinc/36/11/04/720361104.db2.gz PRTGEOMNLXUIBG-UHFFFAOYSA-N 2 2 410.547 2.641 20 0 HFADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc5[nH]ccc5c[nH+]4)CC3)C2=O)cs1 ZINC001164825493 720361108 /nfs/dbraw/zinc/36/11/08/720361108.db2.gz PRTGEOMNLXUIBG-UHFFFAOYSA-N 2 2 410.547 2.641 20 0 HFADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4O[C@H](COCc5ccccn5)CC[C@@H]43)[nH+]2)CC1 ZINC001164843998 720776046 /nfs/dbraw/zinc/77/60/46/720776046.db2.gz BGCASWAIJZLIAV-FKBYEOEOSA-N 2 2 423.561 2.572 20 0 HFADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)c12 ZINC001164859829 720939637 /nfs/dbraw/zinc/93/96/37/720939637.db2.gz NUOPJGHSGBOHJS-CQSZACIVSA-N 2 2 411.510 2.753 20 0 HFADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)c12 ZINC001164859829 720939650 /nfs/dbraw/zinc/93/96/50/720939650.db2.gz NUOPJGHSGBOHJS-CQSZACIVSA-N 2 2 411.510 2.753 20 0 HFADLP C[N@H+](Cc1ccc(N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)nc1)C1CC1 ZINC001164768142 721276774 /nfs/dbraw/zinc/27/67/74/721276774.db2.gz KMXWTDVZCLVRON-LJQANCHMSA-N 2 2 404.518 2.983 20 0 HFADLP C[N@@H+](Cc1ccc(N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)nc1)C1CC1 ZINC001164768142 721276782 /nfs/dbraw/zinc/27/67/82/721276782.db2.gz KMXWTDVZCLVRON-LJQANCHMSA-N 2 2 404.518 2.983 20 0 HFADLP COc1ccc2c(C)cc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)[nH+]c2c1 ZINC001164797782 721515909 /nfs/dbraw/zinc/51/59/09/721515909.db2.gz NBERHIKYVZSFAI-UHFFFAOYSA-N 2 2 406.534 2.516 20 0 HFADLP Cc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)cc(N2CCCC2)[nH+]1 ZINC001164808993 721530723 /nfs/dbraw/zinc/53/07/23/721530723.db2.gz SXOWWFDOUQVAFW-JTAQYXEDSA-N 2 2 408.550 2.648 20 0 HFADLP Cc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)cc(N2CCCC2)[nH+]1 ZINC001164808993 721530725 /nfs/dbraw/zinc/53/07/25/721530725.db2.gz SXOWWFDOUQVAFW-JTAQYXEDSA-N 2 2 408.550 2.648 20 0 HFADLP COc1ccc2c(cc[nH+]c2N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164913626 721774486 /nfs/dbraw/zinc/77/44/86/721774486.db2.gz YTNPWWKXSYWDJY-DEOSSOPVSA-N 2 2 420.513 2.746 20 0 HFADLP COc1ccc2c(cc[nH+]c2N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164913626 721774489 /nfs/dbraw/zinc/77/44/89/721774489.db2.gz YTNPWWKXSYWDJY-DEOSSOPVSA-N 2 2 420.513 2.746 20 0 HFADLP Cc1c[nH+]c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1N1CCCC1 ZINC001164958212 722051912 /nfs/dbraw/zinc/05/19/12/722051912.db2.gz DWCLCZHJMAYAQB-UHFFFAOYSA-N 2 2 422.577 2.899 20 0 HFADLP Cc1c[nH+]c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1N1CCCC1 ZINC001164958212 722051915 /nfs/dbraw/zinc/05/19/15/722051915.db2.gz DWCLCZHJMAYAQB-UHFFFAOYSA-N 2 2 422.577 2.899 20 0 HFADLP CC(=O)Nc1c(C)cc[nH+]c1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164961640 722058981 /nfs/dbraw/zinc/05/89/81/722058981.db2.gz NMJRISUMRISXRB-UHFFFAOYSA-N 2 2 409.534 2.862 20 0 HFADLP CC(=O)Nc1c(C)cc[nH+]c1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164961640 722058985 /nfs/dbraw/zinc/05/89/85/722058985.db2.gz NMJRISUMRISXRB-UHFFFAOYSA-N 2 2 409.534 2.862 20 0 HFADLP C[NH+]1CCN(c2cccc(N3CCC4(CC[C@@H](C(=O)NCC5CC5)C4)CC3)[nH+]2)CC1 ZINC001164972889 722091680 /nfs/dbraw/zinc/09/16/80/722091680.db2.gz JAUOFLBBJHCWMB-HXUWFJFHSA-N 2 2 411.594 2.746 20 0 HFADLP CN(C(=O)C(F)(F)C1CCOCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000790819328 1078154527 /nfs/dbraw/zinc/15/45/27/1078154527.db2.gz XCYRKVGPOUJMMW-RTBURBONSA-N 2 2 401.542 2.844 20 0 HFADLP CN(C(=O)C(F)(F)C1CCOCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000790819328 1078154528 /nfs/dbraw/zinc/15/45/28/1078154528.db2.gz XCYRKVGPOUJMMW-RTBURBONSA-N 2 2 401.542 2.844 20 0 HFADLP C[C@@H]([NH3+])C1CCC(C(=O)N=C2C=C[NH+](c3ccc4c(c3)NC(=O)[C@@H](C)O4)C=C2)CC1 ZINC001170494199 1079364374 /nfs/dbraw/zinc/36/43/74/1079364374.db2.gz WPAUDZCGZGIAMR-NUWOQIAWSA-N 2 2 408.502 2.778 20 0 HFADLP CCC[N@H+](CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000790362375 1078004907 /nfs/dbraw/zinc/00/49/07/1078004907.db2.gz KZFZLPHHXUGXDS-PGRDOPGGSA-N 2 2 422.570 2.582 20 0 HFADLP CCC[N@@H+](CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000790362375 1078004914 /nfs/dbraw/zinc/00/49/14/1078004914.db2.gz KZFZLPHHXUGXDS-PGRDOPGGSA-N 2 2 422.570 2.582 20 0 HFADLP O=C1O[C@]2(CN1C[NH+]1CCC(OCc3ccc(F)cc3)CC1)C[NH+]1CCC2CC1 ZINC000790376785 1078018621 /nfs/dbraw/zinc/01/86/21/1078018621.db2.gz VZBUGNITEQTBPH-QFIPXVFZSA-N 2 2 403.498 2.681 20 0 HFADLP CN(C(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000807071701 1080254197 /nfs/dbraw/zinc/25/41/97/1080254197.db2.gz ADCZAPWEBIYXBQ-VGOFRKELSA-N 2 2 418.969 2.850 20 0 HFADLP CN(C(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000807071701 1080254200 /nfs/dbraw/zinc/25/42/00/1080254200.db2.gz ADCZAPWEBIYXBQ-VGOFRKELSA-N 2 2 418.969 2.850 20 0 HFADLP CC(C)C[NH+]1CCN(c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001164653437 719334982 /nfs/dbraw/zinc/33/49/82/719334982.db2.gz CMUJRFTUFFOJSQ-UHFFFAOYSA-N 2 2 421.589 2.818 20 0 HFADLP Cc1cccc2c1cc[nH+]c2N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164719138 720182612 /nfs/dbraw/zinc/18/26/12/720182612.db2.gz SKYXAJHGIWHEOS-NRFANRHFSA-N 2 2 406.534 2.888 20 0 HFADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2[nH+]ccc3c4c([nH]c32)CCC4)CC1 ZINC001164830215 720351959 /nfs/dbraw/zinc/35/19/59/720351959.db2.gz VOLQJJMXBGEZQH-LEWJYISDSA-N 2 2 407.562 2.963 20 0 HFADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4[nH+]c(C)cc5[nH]ccc54)CC3)C2=O)cs1 ZINC001164821134 720372802 /nfs/dbraw/zinc/37/28/02/720372802.db2.gz WYTNYAGROCTTQN-UHFFFAOYSA-N 2 2 424.574 2.949 20 0 HFADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4[nH+]c(C)cc5[nH]ccc54)CC3)C2=O)cs1 ZINC001164821134 720372808 /nfs/dbraw/zinc/37/28/08/720372808.db2.gz WYTNYAGROCTTQN-UHFFFAOYSA-N 2 2 424.574 2.949 20 0 HFADLP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(Cn3cncn3)c[nH+]1)CC2 ZINC001164839743 720710966 /nfs/dbraw/zinc/71/09/66/720710966.db2.gz MSMULGOBPMUUMY-QFIPXVFZSA-N 2 2 418.545 2.981 20 0 HFADLP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(Cn3cncn3)c[nH+]1)CC2 ZINC001164839743 720710970 /nfs/dbraw/zinc/71/09/70/720710970.db2.gz MSMULGOBPMUUMY-QFIPXVFZSA-N 2 2 418.545 2.981 20 0 HFADLP CN(C)c1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc[nH+]1 ZINC001164751517 720869812 /nfs/dbraw/zinc/86/98/12/720869812.db2.gz KRVKELMKNBAFPF-QPPBQGQZSA-N 2 2 422.577 2.693 20 0 HFADLP CN(C)c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc[nH+]1 ZINC001164751517 720869813 /nfs/dbraw/zinc/86/98/13/720869813.db2.gz KRVKELMKNBAFPF-QPPBQGQZSA-N 2 2 422.577 2.693 20 0 HFADLP Cc1nc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)cc(C2CCCCC2)[nH+]1 ZINC001164750173 720961995 /nfs/dbraw/zinc/96/19/95/720961995.db2.gz KJPWJVCARKIBAL-UHFFFAOYSA-N 2 2 412.538 2.675 20 0 HFADLP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(N3CCSCC3)[nH+]cn1)[C@H]2C ZINC001164858086 721014119 /nfs/dbraw/zinc/01/41/19/721014119.db2.gz GBNZYRBOJKXWJQ-INIZCTEOSA-N 2 2 401.584 2.648 20 0 HFADLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(N3CCSCC3)[nH+]cn1)[C@H]2C ZINC001164858086 721014124 /nfs/dbraw/zinc/01/41/24/721014124.db2.gz GBNZYRBOJKXWJQ-INIZCTEOSA-N 2 2 401.584 2.648 20 0 HFADLP Fc1ccccc1N1CCN(c2cc(N3CC4(C3)CC[N@H+](CC3CC3)C4)nc[nH+]2)CC1 ZINC001164768832 721299808 /nfs/dbraw/zinc/29/98/08/721299808.db2.gz HQTMNJYDWFGVPZ-UHFFFAOYSA-N 2 2 422.552 2.864 20 0 HFADLP Fc1ccccc1N1CCN(c2cc(N3CC4(C3)CC[N@@H+](CC3CC3)C4)nc[nH+]2)CC1 ZINC001164768832 721299809 /nfs/dbraw/zinc/29/98/09/721299809.db2.gz HQTMNJYDWFGVPZ-UHFFFAOYSA-N 2 2 422.552 2.864 20 0 HFADLP Cc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)cc(N2CCCC2)[nH+]1 ZINC001164808994 721530764 /nfs/dbraw/zinc/53/07/64/721530764.db2.gz SXOWWFDOUQVAFW-QTEQDKRBSA-N 2 2 408.550 2.648 20 0 HFADLP Cc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)cc(N2CCCC2)[nH+]1 ZINC001164808994 721530769 /nfs/dbraw/zinc/53/07/69/721530769.db2.gz SXOWWFDOUQVAFW-QTEQDKRBSA-N 2 2 408.550 2.648 20 0 HFADLP CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)ccc2C[NH+]2CCCC2)CC1 ZINC001165010109 721739630 /nfs/dbraw/zinc/73/96/30/721739630.db2.gz ANFPMGRGERLDAR-UHFFFAOYSA-N 2 2 420.001 2.854 20 0 HFADLP Cc1c[nH+]c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1N1CCCC1 ZINC001164978210 722099141 /nfs/dbraw/zinc/09/91/41/722099141.db2.gz GESKSEBFPUUXLC-SFTDATJTSA-N 2 2 408.550 2.508 20 0 HFADLP Cc1c[nH+]c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1N1CCCC1 ZINC001164978210 722099142 /nfs/dbraw/zinc/09/91/42/722099142.db2.gz GESKSEBFPUUXLC-SFTDATJTSA-N 2 2 408.550 2.508 20 0 HFADLP c1cncc(C[N@@H+]2CCO[C@H]3CN(c4cc(N5CCCCC5)[nH+]cn4)CC[C@@H]3C2)c1 ZINC001164983858 722139578 /nfs/dbraw/zinc/13/95/78/722139578.db2.gz VWLFFBHOFCWKLX-RTWAWAEBSA-N 2 2 408.550 2.589 20 0 HFADLP c1cncc(C[N@H+]2CCO[C@H]3CN(c4cc(N5CCCCC5)[nH+]cn4)CC[C@@H]3C2)c1 ZINC001164983858 722139582 /nfs/dbraw/zinc/13/95/82/722139582.db2.gz VWLFFBHOFCWKLX-RTWAWAEBSA-N 2 2 408.550 2.589 20 0 HFADLP CC(C)[NH+]1CCN(C2CC[NH+](CN3CC[C@@H](CCc4ccccc4)C3=O)CC2)CC1 ZINC000793510417 1078194854 /nfs/dbraw/zinc/19/48/54/1078194854.db2.gz BURXSNJSUNBBCW-HSZRJFAPSA-N 2 2 412.622 2.916 20 0 HFADLP C[N@H+](CCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)C1CCCCC1 ZINC000804761222 1078611340 /nfs/dbraw/zinc/61/13/40/1078611340.db2.gz YYAVNLJRVFFCLP-HXUWFJFHSA-N 2 2 422.614 2.795 20 0 HFADLP C[N@@H+](CCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)C1CCCCC1 ZINC000804761222 1078611347 /nfs/dbraw/zinc/61/13/47/1078611347.db2.gz YYAVNLJRVFFCLP-HXUWFJFHSA-N 2 2 422.614 2.795 20 0 HFADLP COC(=O)Nc1cccc(CNC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000805815167 1079289145 /nfs/dbraw/zinc/28/91/45/1079289145.db2.gz LBKYHQRXAQFBIL-UHFFFAOYSA-N 2 2 417.554 2.614 20 0 HFADLP C[C@@H]([NH3+])C1CCC(C(=O)N=C2C=C[NH+](c3cccc(CN4CC[C@@H]([NH3+])C4)c3)C=C2)CC1 ZINC001170496661 1079402618 /nfs/dbraw/zinc/40/26/18/1079402618.db2.gz YOUYQZHQWCUJEP-DZVQBONVSA-N 3 2 421.589 2.591 20 0 HFADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NOCc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000746731548 1077070590 /nfs/dbraw/zinc/07/05/90/1077070590.db2.gz RTLAOTFVCDXNGS-INIZCTEOSA-N 2 2 400.445 2.605 20 0 HFADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NOCc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000746731548 1077070597 /nfs/dbraw/zinc/07/05/97/1077070597.db2.gz RTLAOTFVCDXNGS-INIZCTEOSA-N 2 2 400.445 2.605 20 0 HFADLP C[N@H+](CCC1CCN(C2CC[NH+](C)CC2)CC1)CCS(=O)(=O)Cc1ccccc1 ZINC000791472583 1077444943 /nfs/dbraw/zinc/44/49/43/1077444943.db2.gz KZTUQTHDBPMFHV-UHFFFAOYSA-N 2 2 421.651 2.730 20 0 HFADLP C[N@@H+](CCC1CCN(C2CC[NH+](C)CC2)CC1)CCS(=O)(=O)Cc1ccccc1 ZINC000791472583 1077444947 /nfs/dbraw/zinc/44/49/47/1077444947.db2.gz KZTUQTHDBPMFHV-UHFFFAOYSA-N 2 2 421.651 2.730 20 0 HFADLP CC(C)N1CC[NH+](CCCOC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000791940041 1077600965 /nfs/dbraw/zinc/60/09/65/1077600965.db2.gz SYRZBXNAGOMXHB-OAQYLSRUSA-N 2 2 405.558 2.997 20 0 HFADLP CC(C)N1CC[NH+](CCCOC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000791940041 1077600968 /nfs/dbraw/zinc/60/09/68/1077600968.db2.gz SYRZBXNAGOMXHB-OAQYLSRUSA-N 2 2 405.558 2.997 20 0 HFADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790362348 1078004762 /nfs/dbraw/zinc/00/47/62/1078004762.db2.gz KLPBKFQPEMRPRB-XMMPIXPASA-N 3 2 412.578 2.705 20 0 HFADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790362348 1078004767 /nfs/dbraw/zinc/00/47/67/1078004767.db2.gz KLPBKFQPEMRPRB-XMMPIXPASA-N 3 2 412.578 2.705 20 0 HFADLP CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C[NH3+])ncn1)CC2 ZINC001164664493 719348640 /nfs/dbraw/zinc/34/86/40/719348640.db2.gz VXERGPJDVNEGLR-UHFFFAOYSA-N 2 2 403.534 2.630 20 0 HFADLP CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C[NH3+])ncn1)CC2 ZINC001164664493 719348644 /nfs/dbraw/zinc/34/86/44/719348644.db2.gz VXERGPJDVNEGLR-UHFFFAOYSA-N 2 2 403.534 2.630 20 0 HFADLP CCOC[C@H]1CN(c2cccc(N3CC[NH+](C)CC3)[nH+]2)Cc2nn(CC3CC3)cc21 ZINC001164663026 719363664 /nfs/dbraw/zinc/36/36/64/719363664.db2.gz HCICENIPHZKYHL-LJQANCHMSA-N 2 2 410.566 2.580 20 0 HFADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4[nH+]ccc5[nH]ccc54)CC3)C2=O)cs1 ZINC001164824871 720359874 /nfs/dbraw/zinc/35/98/74/720359874.db2.gz OZFYLOKYZCHZQO-UHFFFAOYSA-N 2 2 410.547 2.641 20 0 HFADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4[nH+]ccc5[nH]ccc54)CC3)C2=O)cs1 ZINC001164824871 720359883 /nfs/dbraw/zinc/35/98/83/720359883.db2.gz OZFYLOKYZCHZQO-UHFFFAOYSA-N 2 2 410.547 2.641 20 0 HFADLP Clc1ccc(C[NH+]2CCCC2)c(N2CCc3[nH+]cc(Cn4cccn4)n3CC2)n1 ZINC001164862614 721032870 /nfs/dbraw/zinc/03/28/70/721032870.db2.gz MTOBHILYSAIZPZ-UHFFFAOYSA-N 2 2 411.941 2.835 20 0 HFADLP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc[nH+]c(N3CCCCC3)n2)[C@@H]2CCCO[C@H]12 ZINC001164802934 721575620 /nfs/dbraw/zinc/57/56/20/721575620.db2.gz IVCFXYATLQDHJG-SJBKTWHCSA-N 2 2 408.550 2.730 20 0 HFADLP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc[nH+]c(N3CCCCC3)n2)[C@@H]2CCCO[C@H]12 ZINC001164802934 721575622 /nfs/dbraw/zinc/57/56/22/721575622.db2.gz IVCFXYATLQDHJG-SJBKTWHCSA-N 2 2 408.550 2.730 20 0 HFADLP CC(=O)N1CC[C@]2(c3ccccc3)CCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@@H]12 ZINC001164947330 721966846 /nfs/dbraw/zinc/96/68/46/721966846.db2.gz QKODODGLZUVAFT-RDGATRHJSA-N 2 2 419.573 2.602 20 0 HFADLP C[N@H+](Cc1ccc(N2CCC3(CC2)C(=O)NCC[NH+]3Cc2ccccc2)nc1)C1CC1 ZINC001164946381 721979480 /nfs/dbraw/zinc/97/94/80/721979480.db2.gz DNKUTQNESLHORH-UHFFFAOYSA-N 2 2 419.573 2.647 20 0 HFADLP C[N@@H+](Cc1ccc(N2CCC3(CC2)C(=O)NCC[NH+]3Cc2ccccc2)nc1)C1CC1 ZINC001164946381 721979482 /nfs/dbraw/zinc/97/94/82/721979482.db2.gz DNKUTQNESLHORH-UHFFFAOYSA-N 2 2 419.573 2.647 20 0 HFADLP C[NH+](Cc1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc1)C1CC1 ZINC001164946381 721979485 /nfs/dbraw/zinc/97/94/85/721979485.db2.gz DNKUTQNESLHORH-UHFFFAOYSA-N 2 2 419.573 2.647 20 0 HFADLP C[NH+](Cc1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc1)C1CC1 ZINC001164946381 721979488 /nfs/dbraw/zinc/97/94/88/721979488.db2.gz DNKUTQNESLHORH-UHFFFAOYSA-N 2 2 419.573 2.647 20 0 HFADLP c1cc(C[N@@H+]2CCOCC3(CCN(c4nc(N5CCCC5)cc[nH+]4)CC3)C2)ccn1 ZINC001164961194 722051782 /nfs/dbraw/zinc/05/17/82/722051782.db2.gz VKWNVJZUBKSTKO-UHFFFAOYSA-N 2 2 408.550 2.591 20 0 HFADLP c1cc(C[N@H+]2CCOCC3(CCN(c4nc(N5CCCC5)cc[nH+]4)CC3)C2)ccn1 ZINC001164961194 722051785 /nfs/dbraw/zinc/05/17/85/722051785.db2.gz VKWNVJZUBKSTKO-UHFFFAOYSA-N 2 2 408.550 2.591 20 0 HFADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974907 722116003 /nfs/dbraw/zinc/11/60/03/722116003.db2.gz IVIDXQKPGHJLNK-WOJBJXKFSA-N 2 2 410.518 2.607 20 0 HFADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974907 722116008 /nfs/dbraw/zinc/11/60/08/722116008.db2.gz IVIDXQKPGHJLNK-WOJBJXKFSA-N 2 2 410.518 2.607 20 0 HFADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000805637600 1079190212 /nfs/dbraw/zinc/19/02/12/1079190212.db2.gz VNBVLQDJTWCPSO-SFHVURJKSA-N 2 2 411.550 2.505 20 0 HFADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000805637600 1079190208 /nfs/dbraw/zinc/19/02/08/1079190208.db2.gz VNBVLQDJTWCPSO-SFHVURJKSA-N 2 2 411.550 2.505 20 0 HFADLP O=C1C[C@H](Cc2ccccc2)C(=O)N1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788381577 1077136403 /nfs/dbraw/zinc/13/64/03/1077136403.db2.gz FPVGNYSHHORYLD-FQEVSTJZSA-N 2 2 406.530 2.974 20 0 HFADLP Clc1ccc2c(n1)[C@H]([NH2+][C@H]1CCCN(c3cc(N4CCOCC4)[nH+]cn3)C1)CC2 ZINC000788637949 1077242180 /nfs/dbraw/zinc/24/21/80/1077242180.db2.gz CUHHGESKRYUUQD-DLBZAZTESA-N 2 2 414.941 2.608 20 0 HFADLP C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)cccc21 ZINC000789402799 1077560548 /nfs/dbraw/zinc/56/05/48/1077560548.db2.gz JFJIVIMYMZHAGV-FQEVSTJZSA-N 2 2 419.485 2.512 20 0 HFADLP C[N@H+](CCc1ccc(Br)cc1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790363718 1078004983 /nfs/dbraw/zinc/00/49/83/1078004983.db2.gz UYXVTDHKWWBEBJ-IBGZPJMESA-N 2 2 408.340 2.798 20 0 HFADLP C[N@@H+](CCc1ccc(Br)cc1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790363718 1078004990 /nfs/dbraw/zinc/00/49/90/1078004990.db2.gz UYXVTDHKWWBEBJ-IBGZPJMESA-N 2 2 408.340 2.798 20 0 HFADLP Cc1ccc(NC(=O)C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(N(C)C)[nH+]1 ZINC000807354760 1080516862 /nfs/dbraw/zinc/51/68/62/1080516862.db2.gz JITPJEYMFDZJDA-XMMPIXPASA-N 2 2 421.545 2.519 20 0 HFADLP Cc1ccc(NC(=O)C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(N(C)C)[nH+]1 ZINC000807354760 1080516869 /nfs/dbraw/zinc/51/68/69/1080516869.db2.gz JITPJEYMFDZJDA-XMMPIXPASA-N 2 2 421.545 2.519 20 0 HFADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4C[C@]4([NH3+])C3)c2c1C ZINC001164417374 718888307 /nfs/dbraw/zinc/88/83/07/718888307.db2.gz JRNRXEKWPORBHD-QKKBWIMNSA-N 2 2 415.563 2.700 20 0 HFADLP Cc1cccc2c1cc[nH+]c2N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164719141 720182739 /nfs/dbraw/zinc/18/27/39/720182739.db2.gz SKYXAJHGIWHEOS-OAQYLSRUSA-N 2 2 406.534 2.888 20 0 HFADLP C[NH+]1CCN(c2cccc(N3CCO[C@]4(CCC[C@@H]4COc4ccccn4)C3)[nH+]2)CC1 ZINC001164735818 720539381 /nfs/dbraw/zinc/53/93/81/720539381.db2.gz RUPHJUYAPSJHCI-HYBUGGRVSA-N 2 2 423.561 2.683 20 0 HFADLP Cc1c[nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1NC(C)C ZINC001164741347 720808006 /nfs/dbraw/zinc/80/80/06/720808006.db2.gz BBDKKKHJGGEDQR-SLFFLAALSA-N 2 2 410.570 2.576 20 0 HFADLP Cc1c[nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1NC(C)C ZINC001164741347 720808009 /nfs/dbraw/zinc/80/80/09/720808009.db2.gz BBDKKKHJGGEDQR-SLFFLAALSA-N 2 2 410.570 2.576 20 0 HFADLP COc1cc2[nH+]c(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)ccc2c(OC)c1 ZINC001164768082 721234242 /nfs/dbraw/zinc/23/42/42/721234242.db2.gz XVZICBHFMKWMEA-QZTJIDSGSA-N 2 2 407.518 2.944 20 0 HFADLP COc1cc2[nH+]c(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)ccc2c(OC)c1 ZINC001164768082 721234246 /nfs/dbraw/zinc/23/42/46/721234246.db2.gz XVZICBHFMKWMEA-QZTJIDSGSA-N 2 2 407.518 2.944 20 0 HFADLP Cc1c[nH]c2nc[nH+]c(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c12 ZINC001164778422 721330626 /nfs/dbraw/zinc/33/06/26/721330626.db2.gz WEMZWTZFTUXMKZ-JOCHJYFZSA-N 2 2 410.522 2.990 20 0 HFADLP Cc1c[nH]c2nc[nH+]c(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c12 ZINC001164778422 721330631 /nfs/dbraw/zinc/33/06/31/721330631.db2.gz WEMZWTZFTUXMKZ-JOCHJYFZSA-N 2 2 410.522 2.990 20 0 HFADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C)[nH+]c4c3CCC4)C2)C1 ZINC001164779928 721362226 /nfs/dbraw/zinc/36/22/26/721362226.db2.gz ASMKHBCGAZCNGF-HSZRJFAPSA-N 2 2 411.550 2.998 20 0 HFADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(C)[nH+]c4c3CCC4)C2)C1 ZINC001164779928 721362228 /nfs/dbraw/zinc/36/22/28/721362228.db2.gz ASMKHBCGAZCNGF-HSZRJFAPSA-N 2 2 411.550 2.998 20 0 HFADLP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(N3CC[NH2+]CC3)c[nH+]1)CC2 ZINC001164796747 721498566 /nfs/dbraw/zinc/49/85/66/721498566.db2.gz WUAIRBBNNQVXTP-UHFFFAOYSA-N 3 2 406.578 2.767 20 0 HFADLP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(N3CC[NH2+]CC3)c[nH+]1)CC2 ZINC001164796747 721498567 /nfs/dbraw/zinc/49/85/67/721498567.db2.gz WUAIRBBNNQVXTP-UHFFFAOYSA-N 3 2 406.578 2.767 20 0 HFADLP Cc1c[nH+]c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1NCC1CC1 ZINC001164986228 722098832 /nfs/dbraw/zinc/09/88/32/722098832.db2.gz YLZKCBYQBJTRAY-RTWAWAEBSA-N 2 2 408.550 2.729 20 0 HFADLP Cc1c[nH+]c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1NCC1CC1 ZINC001164986228 722098833 /nfs/dbraw/zinc/09/88/33/722098833.db2.gz YLZKCBYQBJTRAY-RTWAWAEBSA-N 2 2 408.550 2.729 20 0 HFADLP C[C@@H]1CCCN(c2cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc[nH+]2)C1 ZINC001164985419 722149428 /nfs/dbraw/zinc/14/94/28/722149428.db2.gz ZJOGRMGSFGLOTA-HJNYFJLDSA-N 2 2 422.577 2.835 20 0 HFADLP C[C@@H]1CCCN(c2cc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc[nH+]2)C1 ZINC001164985419 722149429 /nfs/dbraw/zinc/14/94/29/722149429.db2.gz ZJOGRMGSFGLOTA-HJNYFJLDSA-N 2 2 422.577 2.835 20 0 HFADLP COc1cc2cc[nH+]c(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)c2cc1F ZINC001165001541 722239810 /nfs/dbraw/zinc/23/98/10/722239810.db2.gz IMWBRBXJXSGLDV-UHFFFAOYSA-N 2 2 422.508 2.530 20 0 HFADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@]2(C1)COCC[NH+](CCOC)C2 ZINC001170438546 1078322421 /nfs/dbraw/zinc/32/24/21/1078322421.db2.gz TXJQREBOZIDUJR-REWPJTCUSA-N 2 2 404.551 2.797 20 0 HFADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCC[C@]2(C1)COCC[NH+](CCOC)C2 ZINC001170438546 1078322426 /nfs/dbraw/zinc/32/24/26/1078322426.db2.gz TXJQREBOZIDUJR-REWPJTCUSA-N 2 2 404.551 2.797 20 0 HFADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC[C@]2(C1)COCC[N@H+](CCOC)C2 ZINC001170438546 1078322429 /nfs/dbraw/zinc/32/24/29/1078322429.db2.gz TXJQREBOZIDUJR-REWPJTCUSA-N 2 2 404.551 2.797 20 0 HFADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC[C@]2(C1)COCC[N@@H+](CCOC)C2 ZINC001170438546 1078322435 /nfs/dbraw/zinc/32/24/35/1078322435.db2.gz TXJQREBOZIDUJR-REWPJTCUSA-N 2 2 404.551 2.797 20 0 HFADLP Cc1ccccc1[C@H](O)C1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000805139354 1078936717 /nfs/dbraw/zinc/93/67/17/1078936717.db2.gz REGHGKLGRLFQLE-NZQKXSOJSA-N 2 2 414.594 2.619 20 0 HFADLP Cc1ccccc1[C@H](O)C1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000805139354 1078936719 /nfs/dbraw/zinc/93/67/19/1078936719.db2.gz REGHGKLGRLFQLE-NZQKXSOJSA-N 2 2 414.594 2.619 20 0 HFADLP CN(C)c1ccc(N2C(=O)C[C@@H]([NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)C2=O)cc1 ZINC000788332936 1077105055 /nfs/dbraw/zinc/10/50/55/1077105055.db2.gz YQDUDPPGDHQYLX-OAQYLSRUSA-N 2 2 421.545 2.797 20 0 HFADLP CCOC(=O)[C@@H]1[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCN1C(=O)OC(C)(C)C ZINC000788641150 1077243592 /nfs/dbraw/zinc/24/35/92/1077243592.db2.gz VMZZGLVTYTTWQW-MOPGFXCFSA-N 2 2 414.506 2.903 20 0 HFADLP CCC(C)(C)c1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000790960499 1077254885 /nfs/dbraw/zinc/25/48/85/1077254885.db2.gz ZQNKXNVUJVCJEC-OAQYLSRUSA-N 2 2 414.594 2.940 20 0 HFADLP CCC(C)(C)c1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000790960499 1077254891 /nfs/dbraw/zinc/25/48/91/1077254891.db2.gz ZQNKXNVUJVCJEC-OAQYLSRUSA-N 2 2 414.594 2.940 20 0 HFADLP C[C@@H](c1ccccc1Cl)[NH+]1CCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790365341 1078015187 /nfs/dbraw/zinc/01/51/87/1078015187.db2.gz FYVLGGPXLVZWKX-HTAPYJJXSA-N 2 2 418.969 2.893 20 0 HFADLP COC(=O)c1c2cnn(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)c2ccc1Br ZINC000790442661 1078033183 /nfs/dbraw/zinc/03/31/83/1078033183.db2.gz OGSNOJVGLNUHAF-XJKSGUPXSA-N 2 2 421.339 2.959 20 0 HFADLP COC(=O)c1c2cnn(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)c2ccc1Br ZINC000790442661 1078033189 /nfs/dbraw/zinc/03/31/89/1078033189.db2.gz OGSNOJVGLNUHAF-XJKSGUPXSA-N 2 2 421.339 2.959 20 0 HFADLP COC(=O)c1c2cnn(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)c2ccc1Br ZINC000790442661 1078033194 /nfs/dbraw/zinc/03/31/94/1078033194.db2.gz OGSNOJVGLNUHAF-XJKSGUPXSA-N 2 2 421.339 2.959 20 0 HFADLP COC(=O)c1c2cnn(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)c2ccc1Br ZINC000790442661 1078033199 /nfs/dbraw/zinc/03/31/99/1078033199.db2.gz OGSNOJVGLNUHAF-XJKSGUPXSA-N 2 2 421.339 2.959 20 0 HFADLP CCOC(=O)C1CC[NH+](C2CCN(c3[nH+]c(C)cc(C)c3C(=O)OC)CC2)CC1 ZINC001164614534 719025941 /nfs/dbraw/zinc/02/59/41/719025941.db2.gz UMEVFXGAGHRMDR-UHFFFAOYSA-N 2 2 403.523 2.729 20 0 HFADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000301667340 719467326 /nfs/dbraw/zinc/46/73/26/719467326.db2.gz OXUHVJUVNVLSKE-ZWKOTPCHSA-N 2 2 409.559 2.939 20 0 HFADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000301667340 719467338 /nfs/dbraw/zinc/46/73/38/719467338.db2.gz OXUHVJUVNVLSKE-ZWKOTPCHSA-N 2 2 409.559 2.939 20 0 HFADLP Cc1c[nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1NCC1CC1 ZINC001164750389 720808212 /nfs/dbraw/zinc/80/82/12/720808212.db2.gz VLBVVEKUKFJZID-PCCBWWKXSA-N 2 2 422.581 2.578 20 0 HFADLP Cc1c[nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1NCC1CC1 ZINC001164750389 720808213 /nfs/dbraw/zinc/80/82/13/720808213.db2.gz VLBVVEKUKFJZID-PCCBWWKXSA-N 2 2 422.581 2.578 20 0 HFADLP Cc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)cc(N2CCCC2)[nH+]1 ZINC001164808995 721531192 /nfs/dbraw/zinc/53/11/92/721531192.db2.gz SXOWWFDOUQVAFW-SXWKCWPCSA-N 2 2 408.550 2.648 20 0 HFADLP Cc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)cc(N2CCCC2)[nH+]1 ZINC001164808995 721531198 /nfs/dbraw/zinc/53/11/98/721531198.db2.gz SXOWWFDOUQVAFW-SXWKCWPCSA-N 2 2 408.550 2.648 20 0 HFADLP COc1cc2[nH+]c(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)ccc2c(OC)c1 ZINC001165012751 721748906 /nfs/dbraw/zinc/74/89/06/721748906.db2.gz NEGUIJTYOXSOTH-UHFFFAOYSA-N 2 2 412.534 2.775 20 0 HFADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(N4CC[NH2+]CC4)c[nH+]3)C[C@@H]21 ZINC001165024186 721819915 /nfs/dbraw/zinc/81/99/15/721819915.db2.gz JNEFSGYXJSXMEO-WTIAFYNJSA-N 3 2 406.578 2.623 20 0 HFADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(N4CC[NH2+]CC4)c[nH+]3)C[C@@H]21 ZINC001165024186 721819916 /nfs/dbraw/zinc/81/99/16/721819916.db2.gz JNEFSGYXJSXMEO-WTIAFYNJSA-N 3 2 406.578 2.623 20 0 HFADLP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc2c(n1)CC[NH+](Cc1ccccc1)C2 ZINC001164925801 721857686 /nfs/dbraw/zinc/85/76/86/721857686.db2.gz GDUPGUXMQZONPA-BJKOFHAPSA-N 2 2 405.590 2.855 20 0 HFADLP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc2c(n1)CC[NH+](Cc1ccccc1)C2 ZINC001164925801 721857689 /nfs/dbraw/zinc/85/76/89/721857689.db2.gz GDUPGUXMQZONPA-BJKOFHAPSA-N 2 2 405.590 2.855 20 0 HFADLP CN(C)CC[NH+]1CC[C@@H]2[C@@H]1CCN2c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164925801 721857690 /nfs/dbraw/zinc/85/76/90/721857690.db2.gz GDUPGUXMQZONPA-BJKOFHAPSA-N 2 2 405.590 2.855 20 0 HFADLP CN(C)CC[NH+]1CC[C@@H]2[C@@H]1CCN2c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001164925801 721857693 /nfs/dbraw/zinc/85/76/93/721857693.db2.gz GDUPGUXMQZONPA-BJKOFHAPSA-N 2 2 405.590 2.855 20 0 HFADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164925801 721857695 /nfs/dbraw/zinc/85/76/95/721857695.db2.gz GDUPGUXMQZONPA-BJKOFHAPSA-N 2 2 405.590 2.855 20 0 HFADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001164925801 721857698 /nfs/dbraw/zinc/85/76/98/721857698.db2.gz GDUPGUXMQZONPA-BJKOFHAPSA-N 2 2 405.590 2.855 20 0 HFADLP Cc1ccc(S(=O)(=O)n2ccc3c2nc[nH+]c3N2CCC(C[NH+](C)C)CC2)cc1 ZINC001165042190 721943035 /nfs/dbraw/zinc/94/30/35/721943035.db2.gz IZUFUUNEDALZNV-UHFFFAOYSA-N 2 2 413.547 2.755 20 0 HFADLP Cc1nc(SC(F)F)sc1CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000793300430 1078122365 /nfs/dbraw/zinc/12/23/65/1078122365.db2.gz XOXGHRVXIFQIPO-UHFFFAOYSA-N 2 2 418.579 2.984 20 0 HFADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001170448845 1078460023 /nfs/dbraw/zinc/46/00/23/1078460023.db2.gz DTPBLGKDYNNAHD-IBGZPJMESA-N 2 2 409.534 2.949 20 0 HFADLP CCOC(=O)[C@H]1[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCN1C(=O)OC(C)(C)C ZINC000788641154 1077243512 /nfs/dbraw/zinc/24/35/12/1077243512.db2.gz VMZZGLVTYTTWQW-RBUKOAKNSA-N 2 2 414.506 2.903 20 0 HFADLP CC(C)[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[C@H](O)c1ccccc1 ZINC000789040675 1077391295 /nfs/dbraw/zinc/39/12/95/1077391295.db2.gz VIUKVUDHXFVQHH-FCHUYYIVSA-N 2 2 416.610 2.994 20 0 HFADLP CC[C@@H]1C[C@@H](n2c[nH+]cc2C[C@H]([NH3+])C(=O)Nc2ccc3c(C)cc(=O)oc3c2)CCO1 ZINC001170194069 1077911232 /nfs/dbraw/zinc/91/12/32/1077911232.db2.gz URAXYOMGRQTJGI-HQRMLTQVSA-N 2 2 424.501 2.937 20 0 HFADLP NC(CCN1CC[NH+](Cc2ccccc2)CC1)=[NH+]OCC1CCC2(CC1)OCCO2 ZINC000792731618 1077989935 /nfs/dbraw/zinc/98/99/35/1077989935.db2.gz RMOAGQOJVKRGIU-UHFFFAOYSA-N 2 2 416.566 2.626 20 0 HFADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@]3(C)CC(c4ccccc4Cl)=NO3)C2)CC1 ZINC000806844814 1080029872 /nfs/dbraw/zinc/02/98/72/1080029872.db2.gz VJCUWKCJYPNZJE-QVKFZJNVSA-N 2 2 404.942 2.508 20 0 HFADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@]3(C)CC(c4ccccc4Cl)=NO3)C2)CC1 ZINC000806844814 1080029884 /nfs/dbraw/zinc/02/98/84/1080029884.db2.gz VJCUWKCJYPNZJE-QVKFZJNVSA-N 2 2 404.942 2.508 20 0 HFADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)c2c1C ZINC001164666451 719441321 /nfs/dbraw/zinc/44/13/21/719441321.db2.gz CLSCISJIEJEFEJ-SJORKVTESA-N 2 2 401.580 2.813 20 0 HFADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)c2c1C ZINC001164666451 719441330 /nfs/dbraw/zinc/44/13/30/719441330.db2.gz CLSCISJIEJEFEJ-SJORKVTESA-N 2 2 401.580 2.813 20 0 HFADLP Cc1ccc2cc[nH+]c(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c2c1 ZINC001164716545 720180665 /nfs/dbraw/zinc/18/06/65/720180665.db2.gz GXJISMJCENHXAR-OAQYLSRUSA-N 2 2 406.534 2.888 20 0 HFADLP Cc1c[nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1NC(C)C ZINC001164741346 720808344 /nfs/dbraw/zinc/80/83/44/720808344.db2.gz BBDKKKHJGGEDQR-HSALFYBXSA-N 2 2 410.570 2.576 20 0 HFADLP Cc1c[nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1NC(C)C ZINC001164741346 720808345 /nfs/dbraw/zinc/80/83/45/720808345.db2.gz BBDKKKHJGGEDQR-HSALFYBXSA-N 2 2 410.570 2.576 20 0 HFADLP COc1cc2[nH+]c(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)ccc2c(OC)c1 ZINC001164768076 721234848 /nfs/dbraw/zinc/23/48/48/721234848.db2.gz XVZICBHFMKWMEA-MSOLQXFVSA-N 2 2 407.518 2.944 20 0 HFADLP COc1cc2[nH+]c(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)ccc2c(OC)c1 ZINC001164768076 721234853 /nfs/dbraw/zinc/23/48/53/721234853.db2.gz XVZICBHFMKWMEA-MSOLQXFVSA-N 2 2 407.518 2.944 20 0 HFADLP Cc1ccc(S(=O)(=O)n2ccc3c2nc[nH+]c3N(C)CC2CC[NH+](C)CC2)cc1 ZINC001165041142 721931315 /nfs/dbraw/zinc/93/13/15/721931315.db2.gz ZPNFZCBQAGSWLY-UHFFFAOYSA-N 2 2 413.547 2.755 20 0 HFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)CC2)CC1 ZINC000790707647 1078102597 /nfs/dbraw/zinc/10/25/97/1078102597.db2.gz BLNMZUZONUJIOE-FUHWJXTLSA-N 2 2 403.398 2.770 20 0 HFADLP Cc1nc(SC(F)F)sc1CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000793492518 1078201186 /nfs/dbraw/zinc/20/11/86/1078201186.db2.gz VBKSYAPTFFMAPC-LBPRGKRZSA-N 2 2 404.552 2.593 20 0 HFADLP Cc1nc(SC(F)F)sc1CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000793492518 1078201190 /nfs/dbraw/zinc/20/11/90/1078201190.db2.gz VBKSYAPTFFMAPC-LBPRGKRZSA-N 2 2 404.552 2.593 20 0 HFADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@@]2(C1)COCC[NH+](CCOC)C2 ZINC001170438544 1078322577 /nfs/dbraw/zinc/32/25/77/1078322577.db2.gz TXJQREBOZIDUJR-NZQKXSOJSA-N 2 2 404.551 2.797 20 0 HFADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCC[C@@]2(C1)COCC[NH+](CCOC)C2 ZINC001170438544 1078322579 /nfs/dbraw/zinc/32/25/79/1078322579.db2.gz TXJQREBOZIDUJR-NZQKXSOJSA-N 2 2 404.551 2.797 20 0 HFADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC[C@@]2(C1)COCC[N@H+](CCOC)C2 ZINC001170438544 1078322582 /nfs/dbraw/zinc/32/25/82/1078322582.db2.gz TXJQREBOZIDUJR-NZQKXSOJSA-N 2 2 404.551 2.797 20 0 HFADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC[C@@]2(C1)COCC[N@@H+](CCOC)C2 ZINC001170438544 1078322585 /nfs/dbraw/zinc/32/25/85/1078322585.db2.gz TXJQREBOZIDUJR-NZQKXSOJSA-N 2 2 404.551 2.797 20 0 HFADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001170448846 1078459986 /nfs/dbraw/zinc/45/99/86/1078459986.db2.gz DTPBLGKDYNNAHD-LJQANCHMSA-N 2 2 409.534 2.949 20 0 HFADLP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCc1[nH+]cc(C)c(OC)c1C)c1ccsc1 ZINC000787616135 1076879632 /nfs/dbraw/zinc/87/96/32/1076879632.db2.gz LHUAQWPEJDLISQ-SFHVURJKSA-N 2 2 418.563 2.584 20 0 HFADLP CCOC(=O)[C@H]1[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)CCN1C(=O)OC(C)(C)C ZINC000787752651 1076927767 /nfs/dbraw/zinc/92/77/67/1076927767.db2.gz ZJWIVUNAMJOVPN-PKOBYXMFSA-N 2 2 414.506 2.903 20 0 HFADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)COC(=O)c3ccc4c[nH+]cn4c3)CC2)cc1 ZINC000792546473 1077898853 /nfs/dbraw/zinc/89/88/53/1077898853.db2.gz OEYLTSSWJVCLMF-UHFFFAOYSA-N 2 2 420.513 2.959 20 0 HFADLP Cc1cc(NC(=S)NCCC[NH+]2CCOCC2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000790342809 1078007530 /nfs/dbraw/zinc/00/75/30/1078007530.db2.gz SSCIJCUJWUDDQR-UHFFFAOYSA-N 2 2 419.639 2.534 20 0 HFADLP COc1ccccc1COC1CC[NH+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790377657 1078008324 /nfs/dbraw/zinc/00/83/24/1078008324.db2.gz XEBTWBLNSUJHKZ-HSZRJFAPSA-N 2 2 415.534 2.550 20 0 HFADLP CCCCC[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000806321266 1079592040 /nfs/dbraw/zinc/59/20/40/1079592040.db2.gz SKUXKMQTQWIINT-VQTJNVASSA-N 2 2 408.631 2.725 20 0 HFADLP CCCCC[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000806321266 1079592042 /nfs/dbraw/zinc/59/20/42/1079592042.db2.gz SKUXKMQTQWIINT-VQTJNVASSA-N 2 2 408.631 2.725 20 0 HFADLP Cc1nc(C[N@@H+]2CCCC23CCN(c2cc[nH+]c(N4CCOCC4)n2)CC3)cs1 ZINC001164693830 719811173 /nfs/dbraw/zinc/81/11/73/719811173.db2.gz RLURHTXJCKNBLH-UHFFFAOYSA-N 2 2 414.579 2.713 20 0 HFADLP Cc1nc(C[N@H+]2CCCC23CCN(c2cc[nH+]c(N4CCOCC4)n2)CC3)cs1 ZINC001164693830 719811175 /nfs/dbraw/zinc/81/11/75/719811175.db2.gz RLURHTXJCKNBLH-UHFFFAOYSA-N 2 2 414.579 2.713 20 0 HFADLP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(N3CCOCC3)nc[nH+]1)CC2 ZINC001164840355 720665417 /nfs/dbraw/zinc/66/54/17/720665417.db2.gz LRVGNBNNIFBPBE-NRFANRHFSA-N 2 2 423.561 2.573 20 0 HFADLP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(N3CCOCC3)nc[nH+]1)CC2 ZINC001164840355 720665435 /nfs/dbraw/zinc/66/54/35/720665435.db2.gz LRVGNBNNIFBPBE-NRFANRHFSA-N 2 2 423.561 2.573 20 0 HFADLP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(N3CCOCC3)[nH+]cn1)CC2 ZINC001164840355 720665447 /nfs/dbraw/zinc/66/54/47/720665447.db2.gz LRVGNBNNIFBPBE-NRFANRHFSA-N 2 2 423.561 2.573 20 0 HFADLP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(N3CCOCC3)[nH+]cn1)CC2 ZINC001164840355 720665453 /nfs/dbraw/zinc/66/54/53/720665453.db2.gz LRVGNBNNIFBPBE-NRFANRHFSA-N 2 2 423.561 2.573 20 0 HFADLP c1[nH+]cn2c1CN(c1cccc(OCC[NH+]3CCCC3)n1)C[C@@H](COCC1CC1)C2 ZINC001164758966 720977502 /nfs/dbraw/zinc/97/75/02/720977502.db2.gz XRYKVXOHNRPVIF-HXUWFJFHSA-N 2 2 411.550 2.816 20 0 HFADLP c1[nH+]cn2c1CN(c1cccc(OCC[NH+]3CCCC3)n1)C[C@H](COCC1CC1)C2 ZINC001164758965 720978044 /nfs/dbraw/zinc/97/80/44/720978044.db2.gz XRYKVXOHNRPVIF-FQEVSTJZSA-N 2 2 411.550 2.816 20 0 HFADLP COc1ccc2c(cc[nH+]c2N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164913627 721774027 /nfs/dbraw/zinc/77/40/27/721774027.db2.gz YTNPWWKXSYWDJY-XMMPIXPASA-N 2 2 420.513 2.746 20 0 HFADLP COc1ccc2c(cc[nH+]c2N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164913627 721774031 /nfs/dbraw/zinc/77/40/31/721774031.db2.gz YTNPWWKXSYWDJY-XMMPIXPASA-N 2 2 420.513 2.746 20 0 HFADLP Cc1c[nH+]c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1NCC1CC1 ZINC001164986223 722099038 /nfs/dbraw/zinc/09/90/38/722099038.db2.gz YLZKCBYQBJTRAY-LEWJYISDSA-N 2 2 408.550 2.729 20 0 HFADLP Cc1c[nH+]c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1NCC1CC1 ZINC001164986223 722099039 /nfs/dbraw/zinc/09/90/39/722099039.db2.gz YLZKCBYQBJTRAY-LEWJYISDSA-N 2 2 408.550 2.729 20 0 HFADLP Cc1nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)cc(C2CCCCC2)[nH+]1 ZINC001165001526 722236444 /nfs/dbraw/zinc/23/64/44/722236444.db2.gz ICHAULYHJBRQGQ-UHFFFAOYSA-N 2 2 421.593 2.980 20 0 HFADLP Cc1ccccc1[C@@H](O)C1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000805139356 1078936595 /nfs/dbraw/zinc/93/65/95/1078936595.db2.gz REGHGKLGRLFQLE-REWPJTCUSA-N 2 2 414.594 2.619 20 0 HFADLP Cc1ccccc1[C@@H](O)C1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000805139356 1078936600 /nfs/dbraw/zinc/93/66/00/1078936600.db2.gz REGHGKLGRLFQLE-REWPJTCUSA-N 2 2 414.594 2.619 20 0 HFADLP Cc1cc(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)c[nH+]c1N1CCOCC1 ZINC001170492600 1079325268 /nfs/dbraw/zinc/32/52/68/1079325268.db2.gz ADMWCWCUFBSHPS-XEVCZEQESA-N 2 2 423.561 2.598 20 0 HFADLP C[C@@H]([NH3+])C1CCC(C(=O)N=C2C=C[NH+](c3ccc4c(c3)CNC(=O)N4C)C=C2)CC1 ZINC001170501134 1079487372 /nfs/dbraw/zinc/48/73/72/1079487372.db2.gz VAZQYUPKRGILQK-KLAILNCOSA-N 2 2 407.518 2.718 20 0 HFADLP [NH2+]=C(NOCc1ncc(Br)s1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000788506871 1077185984 /nfs/dbraw/zinc/18/59/84/1077185984.db2.gz YTBUKJMXYHJBNM-CYBMUJFWSA-N 2 2 411.325 2.805 20 0 HFADLP [NH2+]=C(NOCc1ncc(Br)s1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000788506871 1077185988 /nfs/dbraw/zinc/18/59/88/1077185988.db2.gz YTBUKJMXYHJBNM-CYBMUJFWSA-N 2 2 411.325 2.805 20 0 HFADLP CC(C)[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H](O)c1ccccc1 ZINC000788942784 1077372872 /nfs/dbraw/zinc/37/28/72/1077372872.db2.gz YDBCOOAPVALPGF-FCHUYYIVSA-N 2 2 402.583 2.602 20 0 HFADLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC(=O)NCc1ccc(Cl)cc1 ZINC001170185389 1077903840 /nfs/dbraw/zinc/90/38/40/1077903840.db2.gz ZVRJYIBWROWPLV-UHFFFAOYSA-N 2 2 414.981 2.706 20 0 HFADLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC(=O)NCc1ccc(Cl)cc1 ZINC001170185389 1077903842 /nfs/dbraw/zinc/90/38/42/1077903842.db2.gz ZVRJYIBWROWPLV-UHFFFAOYSA-N 2 2 414.981 2.706 20 0 HFADLP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC(=O)c3ccc(Cl)cc3F)CC2)CC1 ZINC001170292565 1077929235 /nfs/dbraw/zinc/92/92/35/1077929235.db2.gz UJHSLMQWNNFQBH-UHFFFAOYSA-N 2 2 409.933 2.974 20 0 HFADLP Cc1ccc(CC[N@H+](C[C@@H]2CCCO2)CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)cc1 ZINC000790365945 1078014891 /nfs/dbraw/zinc/01/48/91/1078014891.db2.gz IVWUKOJYYCKBGM-LADGPHEKSA-N 2 2 413.562 2.893 20 0 HFADLP Cc1ccc(CC[N@@H+](C[C@@H]2CCCO2)CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)cc1 ZINC000790365945 1078014895 /nfs/dbraw/zinc/01/48/95/1078014895.db2.gz IVWUKOJYYCKBGM-LADGPHEKSA-N 2 2 413.562 2.893 20 0 HFADLP O=C1O[C@]2(CN1C[NH+]1CCC(OCc3ccccc3F)CC1)C[NH+]1CCC2CC1 ZINC000790376696 1078018598 /nfs/dbraw/zinc/01/85/98/1078018598.db2.gz VYCAJOUTASJFIG-QFIPXVFZSA-N 2 2 403.498 2.681 20 0 HFADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3[nH+]cnc4c3ccn4C)C2)C1 ZINC001164776399 721337850 /nfs/dbraw/zinc/33/78/50/721337850.db2.gz FFMGEYVBRXZVPA-JOCHJYFZSA-N 2 2 410.522 2.692 20 0 HFADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3[nH+]cnc4c3ccn4C)C2)C1 ZINC001164776399 721337853 /nfs/dbraw/zinc/33/78/53/721337853.db2.gz FFMGEYVBRXZVPA-JOCHJYFZSA-N 2 2 410.522 2.692 20 0 HFADLP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(N3CCOCC3)nc[nH+]1)CC2 ZINC001164793170 721490345 /nfs/dbraw/zinc/49/03/45/721490345.db2.gz OSUFDQLLECKBNT-UHFFFAOYSA-N 2 2 408.550 2.589 20 0 HFADLP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(N3CCOCC3)nc[nH+]1)CC2 ZINC001164793170 721490349 /nfs/dbraw/zinc/49/03/49/721490349.db2.gz OSUFDQLLECKBNT-UHFFFAOYSA-N 2 2 408.550 2.589 20 0 HFADLP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(N3CCOCC3)[nH+]cn1)CC2 ZINC001164793170 721490353 /nfs/dbraw/zinc/49/03/53/721490353.db2.gz OSUFDQLLECKBNT-UHFFFAOYSA-N 2 2 408.550 2.589 20 0 HFADLP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(N3CCOCC3)[nH+]cn1)CC2 ZINC001164793170 721490356 /nfs/dbraw/zinc/49/03/56/721490356.db2.gz OSUFDQLLECKBNT-UHFFFAOYSA-N 2 2 408.550 2.589 20 0 HFADLP CC(=O)N1CC[C@@]2(c3ccccc3)CCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@@H]12 ZINC001164947325 721967047 /nfs/dbraw/zinc/96/70/47/721967047.db2.gz QKODODGLZUVAFT-RCZVLFRGSA-N 2 2 419.573 2.602 20 0 HFADLP c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4cc(N5CCCCC5)[nH+]cn4)CC[C@@H]3C2)c1 ZINC001164983856 722139655 /nfs/dbraw/zinc/13/96/55/722139655.db2.gz VWLFFBHOFCWKLX-NHCUHLMSSA-N 2 2 408.550 2.589 20 0 HFADLP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4cc(N5CCCCC5)[nH+]cn4)CC[C@@H]3C2)c1 ZINC001164983856 722139660 /nfs/dbraw/zinc/13/96/60/722139660.db2.gz VWLFFBHOFCWKLX-NHCUHLMSSA-N 2 2 408.550 2.589 20 0 HFADLP CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC001170113059 1077687853 /nfs/dbraw/zinc/68/78/53/1077687853.db2.gz WBQJSSBQFVOLCU-MZYLBHOOSA-N 2 2 409.578 2.687 20 0 HFADLP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC001170113059 1077687856 /nfs/dbraw/zinc/68/78/56/1077687856.db2.gz WBQJSSBQFVOLCU-MZYLBHOOSA-N 2 2 409.578 2.687 20 0 HFADLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCN(c2ccccc2F)C1=O ZINC001170182932 1077903171 /nfs/dbraw/zinc/90/31/71/1077903171.db2.gz BCNWACHRVWBWRI-QHCPKHFHSA-N 2 2 410.537 2.681 20 0 HFADLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCN(c2ccccc2F)C1=O ZINC001170182932 1077903173 /nfs/dbraw/zinc/90/31/73/1077903173.db2.gz BCNWACHRVWBWRI-QHCPKHFHSA-N 2 2 410.537 2.681 20 0 HFADLP O=C(N1C[C@H]2CC[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C[C@@H]2C1)C(F)(F)F ZINC001170280615 1077936522 /nfs/dbraw/zinc/93/65/22/1077936522.db2.gz MKVGLGFQHGXGJE-RTBURBONSA-N 2 2 424.511 2.541 20 0 HFADLP O=C(N1C[C@H]2CC[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C[C@@H]2C1)C(F)(F)F ZINC001170280615 1077936526 /nfs/dbraw/zinc/93/65/26/1077936526.db2.gz MKVGLGFQHGXGJE-RTBURBONSA-N 2 2 424.511 2.541 20 0 HFADLP CC[N@H+](CCC1CC[NH+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1)CC1CC1 ZINC000790367692 1078015751 /nfs/dbraw/zinc/01/57/51/1078015751.db2.gz HCRQKRVYRBWNCY-QHCPKHFHSA-N 3 2 404.599 2.695 20 0 HFADLP CC[N@@H+](CCC1CC[NH+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1)CC1CC1 ZINC000790367692 1078015755 /nfs/dbraw/zinc/01/57/55/1078015755.db2.gz HCRQKRVYRBWNCY-QHCPKHFHSA-N 3 2 404.599 2.695 20 0 HFADLP C[NH+]1CCN(c2cccc(N3CCO[C@@H]4[C@H](OCC5CCCC5)CC[C@H]43)[nH+]2)CC1 ZINC001164659695 719343443 /nfs/dbraw/zinc/34/34/43/719343443.db2.gz DOUAURUSOLYAMJ-VIZSFHNOSA-N 2 2 400.567 2.776 20 0 HFADLP Cc1ccc2cc[nH+]c(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c2c1 ZINC001164716544 720181084 /nfs/dbraw/zinc/18/10/84/720181084.db2.gz GXJISMJCENHXAR-NRFANRHFSA-N 2 2 406.534 2.888 20 0 HFADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4[nH+]ccc5c4ccn5C)CC3)C2=O)cs1 ZINC001164824807 720364856 /nfs/dbraw/zinc/36/48/56/720364856.db2.gz MLRQYDMUTFWTDZ-UHFFFAOYSA-N 2 2 424.574 2.651 20 0 HFADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4[nH+]ccc5c4ccn5C)CC3)C2=O)cs1 ZINC001164824807 720364863 /nfs/dbraw/zinc/36/48/63/720364863.db2.gz MLRQYDMUTFWTDZ-UHFFFAOYSA-N 2 2 424.574 2.651 20 0 HFADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3[nH+]cnc4c3ccn4C)C2)C1 ZINC001164776405 721337983 /nfs/dbraw/zinc/33/79/83/721337983.db2.gz FFMGEYVBRXZVPA-QFIPXVFZSA-N 2 2 410.522 2.692 20 0 HFADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3[nH+]cnc4c3ccn4C)C2)C1 ZINC001164776405 721337992 /nfs/dbraw/zinc/33/79/92/721337992.db2.gz FFMGEYVBRXZVPA-QFIPXVFZSA-N 2 2 410.522 2.692 20 0 HFADLP Cc1cc(N2CCCC2)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)[nH+]1 ZINC001164796191 721524104 /nfs/dbraw/zinc/52/41/04/721524104.db2.gz XQCVKAJWXNEDMU-RZUBCFFCSA-N 2 2 408.550 2.648 20 0 HFADLP Cc1cc(N2CCCC2)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)[nH+]1 ZINC001164796191 721524106 /nfs/dbraw/zinc/52/41/06/721524106.db2.gz XQCVKAJWXNEDMU-RZUBCFFCSA-N 2 2 408.550 2.648 20 0 HFADLP O=C1COc2cc[nH+]c(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2N1 ZINC001164908717 721706657 /nfs/dbraw/zinc/70/66/57/721706657.db2.gz YTGXIBLRPFSWLU-HXUWFJFHSA-N 2 2 415.444 2.545 20 0 HFADLP O=C1COc2cc[nH+]c(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2N1 ZINC001164908717 721706670 /nfs/dbraw/zinc/70/66/70/721706670.db2.gz YTGXIBLRPFSWLU-HXUWFJFHSA-N 2 2 415.444 2.545 20 0 HFADLP C[NH+]1CCN(c2ccc(N3CCN(c4cc[nH+]c5cc(Cl)ccc54)CC3)nn2)CC1 ZINC001165044587 721939452 /nfs/dbraw/zinc/93/94/52/721939452.db2.gz OFJBFPFFUWBFOE-UHFFFAOYSA-N 2 2 423.952 2.757 20 0 HFADLP c1cc(C[N@@H+]2CCOCC3(CCN(c4cc(N5CCCCC5)[nH+]cn4)CC3)C2)ccn1 ZINC001164960668 722059534 /nfs/dbraw/zinc/05/95/34/722059534.db2.gz GPRPJDMOZVVJOF-UHFFFAOYSA-N 2 2 422.577 2.981 20 0 HFADLP c1cc(C[N@H+]2CCOCC3(CCN(c4cc(N5CCCCC5)[nH+]cn4)CC3)C2)ccn1 ZINC001164960668 722059537 /nfs/dbraw/zinc/05/95/37/722059537.db2.gz GPRPJDMOZVVJOF-UHFFFAOYSA-N 2 2 422.577 2.981 20 0 HFADLP Cc1c[nH+]c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1N1CCCC1 ZINC001164978209 722099181 /nfs/dbraw/zinc/09/91/81/722099181.db2.gz GESKSEBFPUUXLC-RTWAWAEBSA-N 2 2 408.550 2.508 20 0 HFADLP Cc1c[nH+]c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1N1CCCC1 ZINC001164978209 722099183 /nfs/dbraw/zinc/09/91/83/722099183.db2.gz GESKSEBFPUUXLC-RTWAWAEBSA-N 2 2 408.550 2.508 20 0 HFADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC([NH3+])(C(=O)NCc2ccccc2)CC1 ZINC001170425455 1078068649 /nfs/dbraw/zinc/06/86/49/1078068649.db2.gz PKIGYLDQFJBYJV-HXUWFJFHSA-N 2 2 409.530 2.846 20 0 HFADLP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC000793299861 1078122000 /nfs/dbraw/zinc/12/20/00/1078122000.db2.gz QLCCBBAPXBNKSK-ROUUACIJSA-N 2 2 422.614 2.697 20 0 HFADLP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000793484066 1078189369 /nfs/dbraw/zinc/18/93/69/1078189369.db2.gz QHKOSQKHMUMUMO-CMKODMSKSA-N 2 2 422.614 2.649 20 0 HFADLP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000793484066 1078189374 /nfs/dbraw/zinc/18/93/74/1078189374.db2.gz QHKOSQKHMUMUMO-CMKODMSKSA-N 2 2 422.614 2.649 20 0 HFADLP Cn1c[nH+]cc1-c1cccc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)c1 ZINC001170075455 1076875046 /nfs/dbraw/zinc/87/50/46/1076875046.db2.gz YMKLIXCTRLQANT-UHFFFAOYSA-N 2 2 407.499 2.789 20 0 HFADLP O=C1N[C@@H](Cc2ccccc2)C(=O)N1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788383069 1077137136 /nfs/dbraw/zinc/13/71/36/1077137136.db2.gz UGTSSWFIPJXDIR-FQEVSTJZSA-N 2 2 407.518 2.519 20 0 HFADLP C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)cccc21 ZINC000789402804 1077560599 /nfs/dbraw/zinc/56/05/99/1077560599.db2.gz JFJIVIMYMZHAGV-HXUWFJFHSA-N 2 2 419.485 2.512 20 0 HFADLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC(=O)NC1(c2ccccc2)CCC1 ZINC001170185018 1077903607 /nfs/dbraw/zinc/90/36/07/1077903607.db2.gz SJIXWCCKMARVGO-UHFFFAOYSA-N 2 2 420.601 2.932 20 0 HFADLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC(=O)NC1(c2ccccc2)CCC1 ZINC001170185018 1077903608 /nfs/dbraw/zinc/90/36/08/1077903608.db2.gz SJIXWCCKMARVGO-UHFFFAOYSA-N 2 2 420.601 2.932 20 0 HFADLP C[C@@H](SCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H](C)SCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000790283699 1077984500 /nfs/dbraw/zinc/98/45/00/1077984500.db2.gz RWHCXCFEAZXYDB-YUNYCSSDSA-N 2 2 400.654 2.956 20 0 HFADLP C[C@@H](SCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H](C)SCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000790283699 1077984504 /nfs/dbraw/zinc/98/45/04/1077984504.db2.gz RWHCXCFEAZXYDB-YUNYCSSDSA-N 2 2 400.654 2.956 20 0 HFADLP C[C@@H](SCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[C@H](C)SCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000790283699 1077984506 /nfs/dbraw/zinc/98/45/06/1077984506.db2.gz RWHCXCFEAZXYDB-YUNYCSSDSA-N 2 2 400.654 2.956 20 0 HFADLP C[C@@H](SCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[C@H](C)SCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000790283699 1077984509 /nfs/dbraw/zinc/98/45/09/1077984509.db2.gz RWHCXCFEAZXYDB-YUNYCSSDSA-N 2 2 400.654 2.956 20 0 HFADLP Cc1ccc(CC[N@H+](C[C@@H]2CCCO2)CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)cc1 ZINC000790365947 1078014986 /nfs/dbraw/zinc/01/49/86/1078014986.db2.gz IVWUKOJYYCKBGM-UPVQGACJSA-N 2 2 413.562 2.893 20 0 HFADLP Cc1ccc(CC[N@@H+](C[C@@H]2CCCO2)CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)cc1 ZINC000790365947 1078014995 /nfs/dbraw/zinc/01/49/95/1078014995.db2.gz IVWUKOJYYCKBGM-UPVQGACJSA-N 2 2 413.562 2.893 20 0 HFADLP C[C@H](c1ccccc1Cl)[NH+]1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790365349 1078015074 /nfs/dbraw/zinc/01/50/74/1078015074.db2.gz FYVLGGPXLVZWKX-VGSWGCGISA-N 2 2 418.969 2.893 20 0 HFADLP O=C(NCC1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1)C(F)(F)F ZINC000792880398 1078016201 /nfs/dbraw/zinc/01/62/01/1078016201.db2.gz DNZAPZGQMYJQKF-LJQANCHMSA-N 2 2 413.484 2.668 20 0 HFADLP O=C(NCC1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1)C(F)(F)F ZINC000792880398 1078016205 /nfs/dbraw/zinc/01/62/05/1078016205.db2.gz DNZAPZGQMYJQKF-LJQANCHMSA-N 2 2 413.484 2.668 20 0 HFADLP COC(=O)c1c2cnn(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)c2ccc1Br ZINC000790442657 1078033237 /nfs/dbraw/zinc/03/32/37/1078033237.db2.gz OGSNOJVGLNUHAF-CZUORRHYSA-N 2 2 421.339 2.959 20 0 HFADLP COC(=O)c1c2cnn(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)c2ccc1Br ZINC000790442657 1078033240 /nfs/dbraw/zinc/03/32/40/1078033240.db2.gz OGSNOJVGLNUHAF-CZUORRHYSA-N 2 2 421.339 2.959 20 0 HFADLP COC(=O)c1c2cnn(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)c2ccc1Br ZINC000790442657 1078033244 /nfs/dbraw/zinc/03/32/44/1078033244.db2.gz OGSNOJVGLNUHAF-CZUORRHYSA-N 2 2 421.339 2.959 20 0 HFADLP COC(=O)c1c2cnn(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)c2ccc1Br ZINC000790442657 1078033248 /nfs/dbraw/zinc/03/32/48/1078033248.db2.gz OGSNOJVGLNUHAF-CZUORRHYSA-N 2 2 421.339 2.959 20 0 HFADLP COC(=O)c1c2cnn(C[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)c2ccc1Br ZINC000790443630 1078033349 /nfs/dbraw/zinc/03/33/49/1078033349.db2.gz YOCHMBZJEKOFPJ-GFCCVEGCSA-N 2 2 418.295 2.766 20 0 HFADLP COC(=O)c1c2cnn(C[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)c2ccc1Br ZINC000790443630 1078033355 /nfs/dbraw/zinc/03/33/55/1078033355.db2.gz YOCHMBZJEKOFPJ-GFCCVEGCSA-N 2 2 418.295 2.766 20 0 HFADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4C[C@@]4([NH3+])C3)c2c1C ZINC001164417432 718888380 /nfs/dbraw/zinc/88/83/80/718888380.db2.gz JRNRXEKWPORBHD-SPLOXXLWSA-N 2 2 415.563 2.700 20 0 HFADLP C[NH+]1CCN(c2cccc(N3CCO[C@H]4[C@H]3CC[C@@H]4OCC3CCCC3)[nH+]2)CC1 ZINC001164659686 719343395 /nfs/dbraw/zinc/34/33/95/719343395.db2.gz DOUAURUSOLYAMJ-QTEQDKRBSA-N 2 2 400.567 2.776 20 0 HFADLP Cc1c[nH+]c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1NC(C)C ZINC001164820879 720284675 /nfs/dbraw/zinc/28/46/75/720284675.db2.gz YKVLYFHBCBSRRO-RTBURBONSA-N 2 2 400.571 2.517 20 0 HFADLP c1ccc(N2CCOC3(CCN(c4cccc(OCC[NH+]5CCCC5)n4)CC3)C2)[nH+]c1 ZINC001164874163 721220141 /nfs/dbraw/zinc/22/01/41/721220141.db2.gz SNYUEHCMEYADKU-UHFFFAOYSA-N 2 2 423.561 2.827 20 0 HFADLP CN1Cc2ccccc2CC2(CCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC2)C1=O ZINC001164891758 721473639 /nfs/dbraw/zinc/47/36/39/721473639.db2.gz DTMKFHUETSFHDN-UHFFFAOYSA-N 2 2 419.573 2.635 20 0 HFADLP Cc1cc(N2CCCC2)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)[nH+]1 ZINC001164796190 721524489 /nfs/dbraw/zinc/52/44/89/721524489.db2.gz XQCVKAJWXNEDMU-ONTIZHBOSA-N 2 2 408.550 2.648 20 0 HFADLP Cc1cc(N2CCCC2)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)[nH+]1 ZINC001164796190 721524491 /nfs/dbraw/zinc/52/44/91/721524491.db2.gz XQCVKAJWXNEDMU-ONTIZHBOSA-N 2 2 408.550 2.648 20 0 HFADLP Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)cc(C3CC[NH2+]CC3)n2)CC1 ZINC001164916437 721814124 /nfs/dbraw/zinc/81/41/24/721814124.db2.gz DLWJEQXYWXHCRE-UHFFFAOYSA-N 2 2 415.973 2.543 20 0 HFADLP CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ccc2c(n1)CC[NH+](Cc1ccccc1)C2 ZINC001164925803 721857822 /nfs/dbraw/zinc/85/78/22/721857822.db2.gz GDUPGUXMQZONPA-DNQXCXABSA-N 2 2 405.590 2.855 20 0 HFADLP CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1ccc2c(n1)CC[NH+](Cc1ccccc1)C2 ZINC001164925803 721857823 /nfs/dbraw/zinc/85/78/23/721857823.db2.gz GDUPGUXMQZONPA-DNQXCXABSA-N 2 2 405.590 2.855 20 0 HFADLP CN(C)CC[NH+]1CC[C@@H]2[C@H]1CCN2c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164925803 721857825 /nfs/dbraw/zinc/85/78/25/721857825.db2.gz GDUPGUXMQZONPA-DNQXCXABSA-N 2 2 405.590 2.855 20 0 HFADLP CN(C)CC[NH+]1CC[C@@H]2[C@H]1CCN2c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001164925803 721857827 /nfs/dbraw/zinc/85/78/27/721857827.db2.gz GDUPGUXMQZONPA-DNQXCXABSA-N 2 2 405.590 2.855 20 0 HFADLP C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164925803 721857828 /nfs/dbraw/zinc/85/78/28/721857828.db2.gz GDUPGUXMQZONPA-DNQXCXABSA-N 2 2 405.590 2.855 20 0 HFADLP C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001164925803 721857830 /nfs/dbraw/zinc/85/78/30/721857830.db2.gz GDUPGUXMQZONPA-DNQXCXABSA-N 2 2 405.590 2.855 20 0 HFADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)c1C ZINC000787737292 1076936081 /nfs/dbraw/zinc/93/60/81/1076936081.db2.gz OOYPGAWPBZMCBC-OAQYLSRUSA-N 2 2 424.545 2.667 20 0 HFADLP NC(=O)C[N@@H+]1CCCN(c2cc(C3CC3)[nH+]c3c(Br)cccc23)CC1 ZINC000788531912 1077204768 /nfs/dbraw/zinc/20/47/68/1077204768.db2.gz KKJQEDYOMUYAFN-UHFFFAOYSA-N 2 2 403.324 2.872 20 0 HFADLP NC(=O)C[N@H+]1CCCN(c2cc(C3CC3)[nH+]c3c(Br)cccc23)CC1 ZINC000788531912 1077204774 /nfs/dbraw/zinc/20/47/74/1077204774.db2.gz KKJQEDYOMUYAFN-UHFFFAOYSA-N 2 2 403.324 2.872 20 0 HFADLP CCS[C@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001170119660 1077774853 /nfs/dbraw/zinc/77/48/53/1077774853.db2.gz WPYMDZTUCPQBSF-ROUUACIJSA-N 2 2 405.612 2.821 20 0 HFADLP Cn1c[nH+]cc1CCC(=O)NN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000792859087 1078010051 /nfs/dbraw/zinc/01/00/51/1078010051.db2.gz PCQNRQIMODVPMO-UHFFFAOYSA-N 2 2 403.530 2.791 20 0 HFADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790372968 1078017211 /nfs/dbraw/zinc/01/72/11/1078017211.db2.gz XKRCYIXNWPMOPL-VGSWGCGISA-N 2 2 418.969 2.893 20 0 HFADLP COC(=O)c1c2cnn(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)c2ccc1Br ZINC000790442648 1078033063 /nfs/dbraw/zinc/03/30/63/1078033063.db2.gz OGSNOJVGLNUHAF-BBRMVZONSA-N 2 2 421.339 2.959 20 0 HFADLP COC(=O)c1c2cnn(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)c2ccc1Br ZINC000790442648 1078033068 /nfs/dbraw/zinc/03/30/68/1078033068.db2.gz OGSNOJVGLNUHAF-BBRMVZONSA-N 2 2 421.339 2.959 20 0 HFADLP COC(=O)c1c2cnn(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)c2ccc1Br ZINC000790442648 1078033074 /nfs/dbraw/zinc/03/30/74/1078033074.db2.gz OGSNOJVGLNUHAF-BBRMVZONSA-N 2 2 421.339 2.959 20 0 HFADLP COC(=O)c1c2cnn(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)c2ccc1Br ZINC000790442648 1078033079 /nfs/dbraw/zinc/03/30/79/1078033079.db2.gz OGSNOJVGLNUHAF-BBRMVZONSA-N 2 2 421.339 2.959 20 0 HFADLP COc1ccc([C@H](C[NH+](C)C)NC(=O)NCc2cccnc2-n2cc[nH+]c2C)cc1 ZINC000806506523 1079757840 /nfs/dbraw/zinc/75/78/40/1079757840.db2.gz XHOSJVMGQZCMBB-FQEVSTJZSA-N 2 2 408.506 2.686 20 0 HFADLP C[NH+]1CCN(c2cccc(N3CCO[C@@H]4[C@@H](OCC5CCCC5)CC[C@@H]43)[nH+]2)CC1 ZINC001164659671 719343433 /nfs/dbraw/zinc/34/34/33/719343433.db2.gz DOUAURUSOLYAMJ-JTAQYXEDSA-N 2 2 400.567 2.776 20 0 HFADLP Cc1c[nH+]c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1NC(C)C ZINC001164820877 720284823 /nfs/dbraw/zinc/28/48/23/720284823.db2.gz YKVLYFHBCBSRRO-RBUKOAKNSA-N 2 2 400.571 2.517 20 0 HFADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4O[C@H](COCc5ccccn5)CC[C@H]43)[nH+]2)CC1 ZINC001164843993 720775382 /nfs/dbraw/zinc/77/53/82/720775382.db2.gz BGCASWAIJZLIAV-BDTNDASRSA-N 2 2 423.561 2.572 20 0 HFADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4O[C@@H](COCc5ccccn5)CC[C@H]43)[nH+]2)CC1 ZINC001164844001 720775982 /nfs/dbraw/zinc/77/59/82/720775982.db2.gz BGCASWAIJZLIAV-VSKRKVRLSA-N 2 2 423.561 2.572 20 0 HFADLP Cc1cccc(CN2CC[C@@]3(CCN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C3)C2=O)c1 ZINC001164848047 720807928 /nfs/dbraw/zinc/80/79/28/720807928.db2.gz BQAHRPWHZWPWGL-VWLOTQADSA-N 2 2 419.573 2.771 20 0 HFADLP CCN(C)c1cc[nH+]c(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164778839 721330263 /nfs/dbraw/zinc/33/02/63/721330263.db2.gz ZCQUUTPXYCQLKZ-QFIPXVFZSA-N 2 2 414.554 2.657 20 0 HFADLP CCN(C)c1cc[nH+]c(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164778839 721330268 /nfs/dbraw/zinc/33/02/68/721330268.db2.gz ZCQUUTPXYCQLKZ-QFIPXVFZSA-N 2 2 414.554 2.657 20 0 HFADLP Cc1cc2c(nc[nH+]c2N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)[nH]1 ZINC001164776679 721343774 /nfs/dbraw/zinc/34/37/74/721343774.db2.gz CBKJLFXMULDSOD-QFIPXVFZSA-N 2 2 410.522 2.990 20 0 HFADLP Cc1cc2c(nc[nH+]c2N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)[nH]1 ZINC001164776679 721343778 /nfs/dbraw/zinc/34/37/78/721343778.db2.gz CBKJLFXMULDSOD-QFIPXVFZSA-N 2 2 410.522 2.990 20 0 HFADLP C[NH+]1CCN(Cc2cn3c(n2)CN(c2[nH+]cnc4c2ccn4C2CCCC2)CC3)CC1 ZINC001164798462 721514543 /nfs/dbraw/zinc/51/45/43/721514543.db2.gz UTRNFGXXPSODDQ-UHFFFAOYSA-N 2 2 420.565 2.511 20 0 HFADLP COc1cc2cc[nH+]c(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c2cc1F ZINC001165012765 721749984 /nfs/dbraw/zinc/74/99/84/721749984.db2.gz NGTWUGRALLNYLM-UHFFFAOYSA-N 2 2 400.498 2.906 20 0 HFADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4[nH+]ccc5c4NC(=O)CO5)CC3)C2)cc1 ZINC001164938950 721926546 /nfs/dbraw/zinc/92/65/46/721926546.db2.gz CTBMZVUPXNJTMW-UHFFFAOYSA-N 2 2 408.502 2.592 20 0 HFADLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4[nH+]ccc5c4NC(=O)CO5)CC3)C2)cc1 ZINC001164938950 721926547 /nfs/dbraw/zinc/92/65/47/721926547.db2.gz CTBMZVUPXNJTMW-UHFFFAOYSA-N 2 2 408.502 2.592 20 0 HFADLP c1ccc(C[N@H+]2CCc3c(ncnc3N3CC[NH+](CCc4ccccn4)CC3)C2)cc1 ZINC001165054467 722011940 /nfs/dbraw/zinc/01/19/40/722011940.db2.gz YYKIVBJEKXITAC-UHFFFAOYSA-N 2 2 414.557 2.795 20 0 HFADLP c1ccc(C[N@@H+]2CCc3c(ncnc3N3CC[NH+](CCc4ccccn4)CC3)C2)cc1 ZINC001165054467 722011944 /nfs/dbraw/zinc/01/19/44/722011944.db2.gz YYKIVBJEKXITAC-UHFFFAOYSA-N 2 2 414.557 2.795 20 0 HFADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963796 722055615 /nfs/dbraw/zinc/05/56/15/722055615.db2.gz LEXCPSXTYOZIBR-UHFFFAOYSA-N 2 2 424.545 2.999 20 0 HFADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963796 722055616 /nfs/dbraw/zinc/05/56/16/722055616.db2.gz LEXCPSXTYOZIBR-UHFFFAOYSA-N 2 2 424.545 2.999 20 0 HFADLP CCOC(=O)c1c(C)cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)[nH+]c1C ZINC001164971463 722125779 /nfs/dbraw/zinc/12/57/79/722125779.db2.gz COLHISKXBJMJKG-RTWAWAEBSA-N 2 2 424.545 2.997 20 0 HFADLP CCOC(=O)c1c(C)cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)[nH+]c1C ZINC001164971463 722125780 /nfs/dbraw/zinc/12/57/80/722125780.db2.gz COLHISKXBJMJKG-RTWAWAEBSA-N 2 2 424.545 2.997 20 0 HFADLP CCCN(CCC)c1cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc[nH+]1 ZINC001165001797 722255120 /nfs/dbraw/zinc/25/51/20/722255120.db2.gz GACZNOMPJNSZCU-UHFFFAOYSA-N 2 2 415.586 2.788 20 0 HFADLP CCCN(CCC)c1cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)[nH+]cn1 ZINC001165001797 722255121 /nfs/dbraw/zinc/25/51/21/722255121.db2.gz GACZNOMPJNSZCU-UHFFFAOYSA-N 2 2 415.586 2.788 20 0 HFADLP O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000793717909 1078263932 /nfs/dbraw/zinc/26/39/32/1078263932.db2.gz LBWYIPPAPUUTCM-UHFFFAOYSA-N 2 2 423.561 2.649 20 0 HFADLP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@]2(C1)COCC[NH+](CCOC)C2 ZINC001170438545 1078322479 /nfs/dbraw/zinc/32/24/79/1078322479.db2.gz TXJQREBOZIDUJR-OFNKIYASSA-N 2 2 404.551 2.797 20 0 HFADLP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCC[C@]2(C1)COCC[NH+](CCOC)C2 ZINC001170438545 1078322484 /nfs/dbraw/zinc/32/24/84/1078322484.db2.gz TXJQREBOZIDUJR-OFNKIYASSA-N 2 2 404.551 2.797 20 0 HFADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC[C@]2(C1)COCC[N@H+](CCOC)C2 ZINC001170438545 1078322489 /nfs/dbraw/zinc/32/24/89/1078322489.db2.gz TXJQREBOZIDUJR-OFNKIYASSA-N 2 2 404.551 2.797 20 0 HFADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC[C@]2(C1)COCC[N@@H+](CCOC)C2 ZINC001170438545 1078322492 /nfs/dbraw/zinc/32/24/92/1078322492.db2.gz TXJQREBOZIDUJR-OFNKIYASSA-N 2 2 404.551 2.797 20 0 HFADLP COC(=O)c1cc2cc([NH+]3C=CC(=NC(=O)C4CCC([C@@H](C)[NH3+])CC4)C=C3)c[nH]c-2n1 ZINC001170493845 1079359602 /nfs/dbraw/zinc/35/96/02/1079359602.db2.gz UEHNAHRXZFWPCX-QQFBHYJXSA-N 2 2 421.501 2.721 20 0 HFADLP CC[NH+](CC)[C@H](CNC(=O)C(=O)NCc1[nH+]cc(C)c(OC)c1C)c1ccsc1 ZINC000787616133 1076879563 /nfs/dbraw/zinc/87/95/63/1076879563.db2.gz LHUAQWPEJDLISQ-GOSISDBHSA-N 2 2 418.563 2.584 20 0 HFADLP CCOC(=O)[C@H]1[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)CCN1C(=O)OC(C)(C)C ZINC000787752649 1076927717 /nfs/dbraw/zinc/92/77/17/1076927717.db2.gz ZJWIVUNAMJOVPN-IEBWSBKVSA-N 2 2 414.506 2.903 20 0 HFADLP COC(=O)c1ccc2c(c1)C(=O)N(C[NH+]1CCC(c3[nH+]cc4n3CCCC4)CC1)C2 ZINC000788383004 1077137517 /nfs/dbraw/zinc/13/75/17/1077137517.db2.gz SFGDVPCPKGHDBP-UHFFFAOYSA-N 2 2 408.502 2.799 20 0 HFADLP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1nc(Br)ccc1F ZINC000788540485 1077194421 /nfs/dbraw/zinc/19/44/21/1077194421.db2.gz RWWWMRRQMQOHIX-ZDUSSCGKSA-N 2 2 408.319 2.981 20 0 HFADLP Clc1ccc2c(n1)[C@@H]([NH2+][C@H]1CCCN(c3cc(N4CCOCC4)[nH+]cn3)C1)CC2 ZINC000788637951 1077242220 /nfs/dbraw/zinc/24/22/20/1077242220.db2.gz CUHHGESKRYUUQD-IRXDYDNUSA-N 2 2 414.941 2.608 20 0 HFADLP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1COCc2cccc(Cl)c21 ZINC000788711300 1077267636 /nfs/dbraw/zinc/26/76/36/1077267636.db2.gz KZBLRKLTRYODLN-VQTJNVASSA-N 2 2 401.938 2.790 20 0 HFADLP CC[C@H]1C[C@H](n2c[nH+]cc2C[C@H]([NH3+])C(=O)Nc2ccc3c(C)cc(=O)oc3c2)CCO1 ZINC001170194070 1077911222 /nfs/dbraw/zinc/91/12/22/1077911222.db2.gz URAXYOMGRQTJGI-KPFFTGBYSA-N 2 2 424.501 2.937 20 0 HFADLP O=C(N1C[C@@H]2C[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)CC[C@@H]2C1)C(F)(F)F ZINC001170280612 1077936563 /nfs/dbraw/zinc/93/65/63/1077936563.db2.gz MKVGLGFQHGXGJE-MOPGFXCFSA-N 2 2 424.511 2.541 20 0 HFADLP O=C(N1C[C@@H]2C[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)CC[C@@H]2C1)C(F)(F)F ZINC001170280612 1077936567 /nfs/dbraw/zinc/93/65/67/1077936567.db2.gz MKVGLGFQHGXGJE-MOPGFXCFSA-N 2 2 424.511 2.541 20 0 HFADLP C[NH+]1CCC2(CC1)NC(=O)N(C[NH+]1CCC(Sc3ccc(Cl)cc3)CC1)C2=O ZINC000772821063 1077990635 /nfs/dbraw/zinc/99/06/35/1077990635.db2.gz IPLYUNPVBXDBCG-UHFFFAOYSA-N 2 2 422.982 2.870 20 0 HFADLP Cc1ccc(NC(=O)C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(N(C)C)[nH+]1 ZINC000807354759 1080516746 /nfs/dbraw/zinc/51/67/46/1080516746.db2.gz JITPJEYMFDZJDA-DEOSSOPVSA-N 2 2 421.545 2.519 20 0 HFADLP Cc1ccc(NC(=O)C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(N(C)C)[nH+]1 ZINC000807354759 1080516751 /nfs/dbraw/zinc/51/67/51/1080516751.db2.gz JITPJEYMFDZJDA-DEOSSOPVSA-N 2 2 421.545 2.519 20 0 HFADLP