smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C[C@@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](C2CCCC2)CC1)[NH+](C)C ZINC001359765072 1064385916 /nfs/dbraw/zinc/38/59/16/1064385916.db2.gz PHTNNNFPUZAMPQ-GGAORHGYSA-N 2 0 486.680 4.598 20 0 JJADRP CC(C)C[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1)[NH+](C)C ZINC001359766805 1064394629 /nfs/dbraw/zinc/39/46/29/1064394629.db2.gz USAZACUKSMESJC-VXKWHMMOSA-N 2 0 473.109 4.887 20 0 JJADRP CC(C)Cc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001359832689 1064516633 /nfs/dbraw/zinc/51/66/33/1064516633.db2.gz NOYWETKCAXENMP-DSNGMDLFSA-N 2 0 458.739 4.688 20 0 JJADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC001359854411 1064541663 /nfs/dbraw/zinc/54/16/63/1064541663.db2.gz YECIUAXDWOQCHY-UHFFFAOYSA-N 2 0 451.561 4.801 20 0 JJADRP CC(C)Cc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001359860684 1064550195 /nfs/dbraw/zinc/55/01/95/1064550195.db2.gz KZGQOPPAUTXNMK-NYULUDCUSA-N 2 0 466.718 4.698 20 0 JJADRP CC(C)Cc1nnc(N2CC[NH+](Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001359861316 1064551370 /nfs/dbraw/zinc/55/13/70/1064551370.db2.gz RCFBIMVGLYNSFV-AOYPEHQESA-N 2 0 466.718 4.555 20 0 JJADRP CC(C)Cc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@H](c1cccs1)[NH+](C)C ZINC001359861578 1064552962 /nfs/dbraw/zinc/55/29/62/1064552962.db2.gz ZOEDTTLRLHITLK-JTHBVZDNSA-N 2 0 466.699 4.552 20 0 JJADRP CC(C)CC[NH+]1CCC(Cn2c(C3CCC3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC001359949041 1064701582 /nfs/dbraw/zinc/70/15/82/1064701582.db2.gz VWGPCUSNAWPEGO-UHFFFAOYSA-N 2 0 458.739 4.860 20 0 JJADRP CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001360017170 1064816926 /nfs/dbraw/zinc/81/69/26/1064816926.db2.gz AXZXRTVDBVSRLM-NRFANRHFSA-N 2 0 491.099 4.884 20 0 JJADRP CC(C)C[NH+]1CCN(c2nnc(-c3cc4ccccc4o3)n2CCC[NH+](C(C)C)C(C)C)CC1 ZINC001360018761 1064821254 /nfs/dbraw/zinc/82/12/54/1064821254.db2.gz UHGAGPVHYXXHFS-UHFFFAOYSA-N 2 0 466.674 4.978 20 0 JJADRP CC(C)C[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001360033805 1064836974 /nfs/dbraw/zinc/83/69/74/1064836974.db2.gz LEHSCIIMCDVXQU-JWQCQUIFSA-N 2 0 488.765 4.629 20 0 JJADRP CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001360092582 1064962408 /nfs/dbraw/zinc/96/24/08/1064962408.db2.gz KSBCZWUZKJOTLI-VWLOTQADSA-N 2 0 491.149 4.592 20 0 JJADRP CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cccnc3)n2CCCC[NH+]2CCCC[C@@H]2C)CC1 ZINC001360094991 1064967805 /nfs/dbraw/zinc/96/78/05/1064967805.db2.gz SBMWIBHXINUXLY-QHCPKHFHSA-N 2 0 467.706 4.551 20 0 JJADRP CC(C)[N@H+](C)CC1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCC[NH+](C(C)C)C2)CC1 ZINC001360096053 1064971848 /nfs/dbraw/zinc/97/18/48/1064971848.db2.gz VVZZJELNMVKXAJ-XMMPIXPASA-N 2 0 472.747 4.607 20 0 JJADRP CC(C)[N@H+](C)CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001360097238 1064972927 /nfs/dbraw/zinc/97/29/27/1064972927.db2.gz ALLHSISIOPJXBR-DEOSSOPVSA-N 2 0 496.744 4.522 20 0 JJADRP CC(C)[N@H+](C)CCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[NH+](C(C)C)CC1 ZINC001360097424 1064974451 /nfs/dbraw/zinc/97/44/51/1064974451.db2.gz HBZPTLUKSCDSPD-UHFFFAOYSA-N 2 0 458.720 4.536 20 0 JJADRP CC(C)[NH+](CCCn1c(-c2ccccn2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1)C(C)C ZINC001360125505 1065018425 /nfs/dbraw/zinc/01/84/25/1065018425.db2.gz MWZOJWNKQOEMQU-UHFFFAOYSA-N 2 0 481.733 4.941 20 0 JJADRP CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3ccccc3Cl)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001360140215 1065037049 /nfs/dbraw/zinc/03/70/49/1065037049.db2.gz ZKJOAMCIKGFAKP-HXUWFJFHSA-N 2 0 459.082 4.639 20 0 JJADRP CC(C)[N@@H+]1CCC[C@H](Cn2c(N3CCC[C@@H](C[NH+]4CCCCCC4)C3)nnc2C(C)(C)C)C1 ZINC001360140337 1065037535 /nfs/dbraw/zinc/03/75/35/1065037535.db2.gz BYVDPHZCBRKVIJ-ZEQRLZLVSA-N 2 0 458.739 4.788 20 0 JJADRP CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[NH+]2CCC[C@H]2C)CC1 ZINC001360144113 1065045053 /nfs/dbraw/zinc/04/50/53/1065045053.db2.gz VCUFRXZMWURASD-JOCHJYFZSA-N 2 0 452.691 4.647 20 0 JJADRP CC(C)[N@@H+]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001360146163 1065047823 /nfs/dbraw/zinc/04/78/23/1065047823.db2.gz FVKRRNQXPCJXNQ-UHFFFAOYSA-N 2 0 473.109 4.565 20 0 JJADRP CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[NH+]2CCCCC2)CC1 ZINC001360305476 1065140633 /nfs/dbraw/zinc/14/06/33/1065140633.db2.gz RMDDRRHMXWKRPF-UHFFFAOYSA-N 2 0 465.473 4.705 20 0 JJADRP CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001360309322 1065145138 /nfs/dbraw/zinc/14/51/38/1065145138.db2.gz BICNYXZZKZKJEQ-JOCHJYFZSA-N 2 0 482.717 4.606 20 0 JJADRP C[C@@H](CCn1c(N(C)C2CC[NH+](Cc3ccccc3)CC2)nnc1C(C)(C)C)[NH+]1CCCCC1 ZINC001360511411 1065456553 /nfs/dbraw/zinc/45/65/53/1065456553.db2.gz XFDJGGWBURSXIC-QHCPKHFHSA-N 2 0 466.718 4.941 20 0 JJADRP C[C@@H](CCn1c([C@H]2CCCO2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC001360514160 1065465087 /nfs/dbraw/zinc/46/50/87/1065465087.db2.gz OMWJQXPQENCNKB-UKILVPOCSA-N 2 0 482.717 4.598 20 0 JJADRP C[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001360583910 1065583103 /nfs/dbraw/zinc/58/31/03/1065583103.db2.gz NCLPPEQVBDRGJT-OAQYLSRUSA-N 2 0 482.717 4.558 20 0 JJADRP C[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1)[NH+](C)C ZINC001360587141 1065588321 /nfs/dbraw/zinc/58/83/21/1065588321.db2.gz LHUDLSCESGWKIF-LJQANCHMSA-N 2 0 477.122 4.629 20 0 JJADRP C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)C[NH+]1CCCC1 ZINC001360592828 1065601708 /nfs/dbraw/zinc/60/17/08/1065601708.db2.gz ACUFVVURBNYWHL-SGNDLWITSA-N 2 0 458.739 4.689 20 0 JJADRP C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001360592596 1065601811 /nfs/dbraw/zinc/60/18/11/1065601811.db2.gz YORYFIGTYJSXDU-FCHUYYIVSA-N 2 0 486.680 4.600 20 0 JJADRP CC(C)[N@@H+]1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001360596485 1065609101 /nfs/dbraw/zinc/60/91/01/1065609101.db2.gz BHDWKERUJYYPFY-OAQYLSRUSA-N 2 0 459.082 4.641 20 0 JJADRP C[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC001360598633 1065619093 /nfs/dbraw/zinc/61/90/93/1065619093.db2.gz CHMKUHJGFHMKNO-RSXGOPAZSA-N 2 0 480.745 4.947 20 0 JJADRP C[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[NH+](C)C ZINC001360745706 1065785928 /nfs/dbraw/zinc/78/59/28/1065785928.db2.gz OTPYLWPGIIEVAI-VJBWXMMDSA-N 2 0 486.680 4.600 20 0 JJADRP C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@H](C)[NH+](C)C ZINC001360760686 1065833790 /nfs/dbraw/zinc/83/37/90/1065833790.db2.gz RESLHHJMCRDZBT-VQTJNVASSA-N 2 0 477.097 4.580 20 0 JJADRP C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001360761117 1065836140 /nfs/dbraw/zinc/83/61/40/1065836140.db2.gz ZCHUBMWMABIISL-HXUWFJFHSA-N 2 0 489.108 4.866 20 0 JJADRP CC(C)[NH+](CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)C(C)C ZINC001360761173 1065836838 /nfs/dbraw/zinc/83/68/38/1065836838.db2.gz ZVRFWBWOIQEVAU-GGAORHGYSA-N 2 0 489.108 4.865 20 0 JJADRP Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@H](CC(C)C)[NH+](C)C)c1C ZINC001360876719 1066021061 /nfs/dbraw/zinc/02/10/61/1066021061.db2.gz AGIIVRRHZPNLFE-RPWUZVMVSA-N 2 0 470.706 4.542 20 0 JJADRP CC[C@H](Cn1c(C(C)C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)[NH+]1CCc2ccccc2C1 ZINC001545950023 1066140188 /nfs/dbraw/zinc/14/01/88/1066140188.db2.gz JUOZVRJQQGGQFA-XMMPIXPASA-N 2 0 452.691 4.549 20 0 JJADRP CC[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)[NH+]1CCCC1 ZINC001545951707 1066157908 /nfs/dbraw/zinc/15/79/08/1066157908.db2.gz BJSNNHBFULYKAB-FYYLOGMGSA-N 2 0 486.680 4.742 20 0 JJADRP CCCN(C(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001442865214 1066233614 /nfs/dbraw/zinc/23/36/14/1066233614.db2.gz BNVQRQFTIXBAJR-XNMGPUDCSA-N 2 0 451.630 4.941 20 0 JJADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC001442919312 1066240228 /nfs/dbraw/zinc/24/02/28/1066240228.db2.gz JNHRXGQDFXUXNP-INIZCTEOSA-N 2 0 455.455 4.605 20 0 JJADRP Cc1cc(C)cc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC(C)(C)C[NH+]2CCCC2)c1 ZINC001361035064 1066252546 /nfs/dbraw/zinc/25/25/46/1066252546.db2.gz OORHBTXLKOURRO-UHFFFAOYSA-N 2 0 496.744 4.907 20 0 JJADRP Cc1ccc([C@@H](Cn2c(CC(C)(C)C)nnc2N2CC[NH+](C(C)(C)C)CC2)[NH+]2CCCC2)cc1 ZINC001361139915 1066416526 /nfs/dbraw/zinc/41/65/26/1066416526.db2.gz RLVXBEQZDBIAAR-XMMPIXPASA-N 2 0 466.718 4.933 20 0 JJADRP Cc1ccc([C@@H](Cn2c(CC(C)C)nnc2N2CC[NH+](C(C)(C)C)CC2)[NH+]2CCCC2)cc1 ZINC001361140477 1066418042 /nfs/dbraw/zinc/41/80/42/1066418042.db2.gz BURRZUWNMKYWDC-XMMPIXPASA-N 2 0 452.691 4.543 20 0 JJADRP Cc1ccc(C)c(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001361159345 1066464056 /nfs/dbraw/zinc/46/40/56/1066464056.db2.gz WWFPWTKPZZBROB-UHFFFAOYSA-N 2 0 470.706 4.513 20 0 JJADRP Cc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2Cc2ccccc2C[N@H+](C)C(C)C)o1 ZINC001361207009 1066539276 /nfs/dbraw/zinc/53/92/76/1066539276.db2.gz FSCOCFQPXYGYFK-UHFFFAOYSA-N 2 0 464.658 4.702 20 0 JJADRP Cc1ccc(-c2nnc(N3CCC[C@H](C[NH+]4CCCCCC4)C3)n2C[C@H](CC(C)C)[NH+](C)C)o1 ZINC001361212567 1066547378 /nfs/dbraw/zinc/54/73/78/1066547378.db2.gz NOQSYISJTQLEBI-RPWUZVMVSA-N 2 0 470.706 4.915 20 0 JJADRP Cc1ccc(-c2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CCCC[N@H+]2CCCC[C@@H]2C)o1 ZINC001361218504 1066555185 /nfs/dbraw/zinc/55/51/85/1066555185.db2.gz SNDIBMPAZLYAKB-NRFANRHFSA-N 2 0 456.679 4.812 20 0 JJADRP Cc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@H](C(C)C)[NH+]2CCCC2)o1 ZINC001361225995 1066564476 /nfs/dbraw/zinc/56/44/76/1066564476.db2.gz SQTCYUIBLGGAOF-JOCHJYFZSA-N 2 0 456.679 4.525 20 0 JJADRP Cc1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001492848033 1066957713 /nfs/dbraw/zinc/95/77/13/1066957713.db2.gz MPYHWZOCYSIGHA-ISKFKSNPSA-N 2 0 452.691 4.664 20 0 JJADRP CC[C@@H](c1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C)c1ccccc1 ZINC001545751276 1067023091 /nfs/dbraw/zinc/02/30/91/1067023091.db2.gz BQZJPHWZGWMFFF-JWQCQUIFSA-N 2 0 466.718 4.861 20 0 JJADRP CC[C@@H](c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@H](C(C)C)[NH+]1CCCC1)c1ccccc1 ZINC001545752109 1067026674 /nfs/dbraw/zinc/02/66/74/1067026674.db2.gz RBTNNOVEHKAJPO-CLJLJLNGSA-N 2 0 466.718 4.861 20 0 JJADRP CC[C@H](c1nnc(N2CC[NH+](CC(C)C)CC2)n1CCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC001545758653 1067038719 /nfs/dbraw/zinc/03/87/19/1067038719.db2.gz KTLSSVVVLGSHHV-RSXGOPAZSA-N 2 0 466.718 4.863 20 0 JJADRP C[N@@H+]1CC[C@H](CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458448346 1067063588 /nfs/dbraw/zinc/06/35/88/1067063588.db2.gz ODMMGAXLFGRGBB-ZJSXRUAMSA-N 2 0 458.021 4.890 20 0 JJADRP C[N@@H+]1CC[C@H](CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458448339 1067063918 /nfs/dbraw/zinc/06/39/18/1067063918.db2.gz ODMMGAXLFGRGBB-QPPBQGQZSA-N 2 0 458.021 4.890 20 0 JJADRP CCC(CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+](Cc2ccccc2C)CC1)[NH+](C)C ZINC001545814538 1067142379 /nfs/dbraw/zinc/14/23/79/1067142379.db2.gz CKQLZEGGBDYADJ-IZZNHLLZSA-N 2 0 482.717 4.517 20 0 JJADRP CCC(CC)[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)[NH+](C)C ZINC001545819682 1067155611 /nfs/dbraw/zinc/15/56/11/1067155611.db2.gz KJNYRRMMZYWDGK-LADGPHEKSA-N 2 0 489.108 4.551 20 0 JJADRP CCC(CC)[C@H](Cn1c(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nnc1C(C)(C)C)[NH+](C)C ZINC001545820523 1067160003 /nfs/dbraw/zinc/16/00/03/1067160003.db2.gz YXJHXMGQTVLGOA-RPWUZVMVSA-N 2 0 454.707 4.653 20 0 JJADRP C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC001459794500 1067426714 /nfs/dbraw/zinc/42/67/14/1067426714.db2.gz BPPPLOOXMFAOLK-LJQANCHMSA-N 2 0 459.034 4.760 20 0 JJADRP CC[N@H+](CCC1CC[NH+]([C@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@H]2O)CC1)CC(C)C ZINC001459813984 1067434937 /nfs/dbraw/zinc/43/49/37/1067434937.db2.gz RGGJRXLCEXNUGO-LOSJGSFVSA-N 2 0 459.675 4.924 20 0 JJADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+]C(C)(C)c2ccc(OCC(C)C)cc2)CC1 ZINC001459852545 1067457120 /nfs/dbraw/zinc/45/71/20/1067457120.db2.gz XNKNNQLLMUINGN-UHFFFAOYSA-N 2 0 451.655 4.589 20 0 JJADRP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+][C@H](C)C(c3ccccc3)c3ccccc3)cc2)CC1 ZINC001459923111 1067493375 /nfs/dbraw/zinc/49/33/75/1067493375.db2.gz GZWYHGMDTKYIJC-HSZRJFAPSA-N 2 0 456.634 4.577 20 0 JJADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@]2(C)Cc2cccc(Cl)c2)CC1 ZINC001460341957 1067612530 /nfs/dbraw/zinc/61/25/30/1067612530.db2.gz SXRCZOFUUFKPFZ-HHHXNRCGSA-N 2 0 454.058 4.780 20 0 JJADRP CSc1ccc(OC[C@H](O)C[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001460538439 1067653171 /nfs/dbraw/zinc/65/31/71/1067653171.db2.gz CLAVRXOWCYNORN-BVAGGSTKSA-N 2 0 454.680 4.771 20 0 JJADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC001461177012 1067792946 /nfs/dbraw/zinc/79/29/46/1067792946.db2.gz GETHVIGNPPXCPU-SFHVURJKSA-N 2 0 457.594 4.560 20 0 JJADRP COc1ccc(-c2ccccc2C)cc1C[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC001461230909 1067805442 /nfs/dbraw/zinc/80/54/42/1067805442.db2.gz JKWORAKMJMOYIH-UHFFFAOYSA-N 2 0 457.618 4.786 20 0 JJADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)CC1 ZINC001462110833 1068006216 /nfs/dbraw/zinc/00/62/16/1068006216.db2.gz NMNDWPFWGFMDHC-FDDCHVKYSA-N 2 0 451.577 4.943 20 0 JJADRP COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001462256254 1068038927 /nfs/dbraw/zinc/03/89/27/1068038927.db2.gz AWICBAQRIAXOPJ-LVXARBLLSA-N 2 0 450.623 4.750 20 0 JJADRP CN(C)c1nc(C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)c(Cl)n1-c1ccccc1 ZINC001462476065 1068081224 /nfs/dbraw/zinc/08/12/24/1068081224.db2.gz WBUQGMXOYVMNQR-UHFFFAOYSA-N 2 0 452.046 4.984 20 0 JJADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)CC3 ZINC001462565618 1068099633 /nfs/dbraw/zinc/09/96/33/1068099633.db2.gz NAMTWNBCRPTMAX-OAQYLSRUSA-N 2 0 454.659 4.646 20 0 JJADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2sc(Nc3ccccc3)nc2s1 ZINC001464697640 1068828749 /nfs/dbraw/zinc/82/87/49/1068828749.db2.gz TUVQKIVDBWNYIX-GOSISDBHSA-N 2 0 457.669 4.590 20 0 JJADRP CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCC3(F)F)c2)CC1 ZINC001464706250 1068831962 /nfs/dbraw/zinc/83/19/62/1068831962.db2.gz UHGCPWUYQIKXIM-VWLOTQADSA-N 2 0 455.593 4.692 20 0 JJADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N(Cc2nn(C(C)C)c3c2CC[NH2+]C3)c2nccs2)nc1 ZINC001164709665 720091874 /nfs/dbraw/zinc/09/18/74/720091874.db2.gz CBGPQIARRWTCKX-JOCHJYFZSA-N 2 0 465.671 4.846 20 0 JJADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)nc1 ZINC001164840816 720636095 /nfs/dbraw/zinc/63/60/95/720636095.db2.gz QXMFKICSMIFJTH-XDZVQPMWSA-N 2 0 450.675 4.593 20 0 JJADRP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3[nH+]c(N4CCCC4)cc4ccccc43)C2)C1 ZINC001164786021 721368629 /nfs/dbraw/zinc/36/86/29/721368629.db2.gz UMCJUOOZCCMZSY-MUUNZHRXSA-N 2 0 475.637 4.559 20 0 JJADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@@H]21 ZINC001165026081 721832353 /nfs/dbraw/zinc/83/23/53/721832353.db2.gz ODVZUCVFTAXRNQ-WDJPJFJCSA-N 2 0 488.026 4.789 20 0 JJADRP Clc1ncc2c(c1N1CC[NH+](C3CCCC3)CC1)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001165032627 721859209 /nfs/dbraw/zinc/85/92/09/721859209.db2.gz VBJXOPYJAUFIDF-UHFFFAOYSA-N 2 0 467.057 4.821 20 0 JJADRP CCC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)cc2Cl)CC1 ZINC001434880225 1064312181 /nfs/dbraw/zinc/31/21/81/1064312181.db2.gz DRKDWEKYUNBVEU-JOCHJYFZSA-N 2 0 455.046 4.723 20 0 JJADRP CC(C)C[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)[NH+](C)C ZINC001359766561 1064392763 /nfs/dbraw/zinc/39/27/63/1064392763.db2.gz PUBZMTVXMLVNGO-NRFANRHFSA-N 2 0 492.659 4.833 20 0 JJADRP CC(C)C[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](CC2CC2)CC1)[NH+](C)C ZINC001359766877 1064395121 /nfs/dbraw/zinc/39/51/21/1064395121.db2.gz WOUMIWAVRJMZLQ-RUZDIDTESA-N 2 0 466.718 4.751 20 0 JJADRP CC(C)C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](C2CCCCC2)CC1)[NH+](C)C ZINC001359772216 1064407126 /nfs/dbraw/zinc/40/71/26/1064407126.db2.gz LMFVFKFOCCEDQX-ISJGIBHGSA-N 2 0 488.765 4.628 20 0 JJADRP CC(C)Cc1nnc(N2CC[C@@H](C)[NH+](Cc3ccccc3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001359802481 1064470708 /nfs/dbraw/zinc/47/07/08/1064470708.db2.gz PEERANYGSQRZTI-XMMPIXPASA-N 2 0 466.718 4.699 20 0 JJADRP CC(C)Cc1nnc(N2CCC(C[NH+](C)Cc3ccccc3)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001359807755 1064478165 /nfs/dbraw/zinc/47/81/65/1064478165.db2.gz CCIRDNJLQPJAHQ-MHZLTWQESA-N 2 0 480.745 4.945 20 0 JJADRP CC(C)Cc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001359832691 1064516403 /nfs/dbraw/zinc/51/64/03/1064516403.db2.gz NOYWETKCAXENMP-UBFVSLLYSA-N 2 0 458.739 4.688 20 0 JJADRP CC(C)Cc1nnc(N2CC[NH+](C3CCC3)C[C@H](C)C2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001359855286 1064542336 /nfs/dbraw/zinc/54/23/36/1064542336.db2.gz IGGFMNXJQPTWFD-ZEQRLZLVSA-N 2 0 466.718 4.698 20 0 JJADRP CC(C)Cc1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001359855491 1064543119 /nfs/dbraw/zinc/54/31/19/1064543119.db2.gz OTACECJBKFRMBN-GILXENHESA-N 2 0 472.766 4.935 20 0 JJADRP CC(C)Cc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001359861577 1064552810 /nfs/dbraw/zinc/55/28/10/1064552810.db2.gz ZOEDTTLRLHITLK-GMAHTHKFSA-N 2 0 466.699 4.552 20 0 JJADRP CC(C)CC[NH+]1CCC(Cn2c(CC(C)C)nnc2N2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC001359949162 1064702208 /nfs/dbraw/zinc/70/22/08/1064702208.db2.gz XLLHIVUTLASEKI-RUZDIDTESA-N 2 0 480.745 4.945 20 0 JJADRP CC(C)C[N@@H+]1CCC[C@H](Cn2c(N3CC[C@H]([NH+](C)Cc4ccccc4)C3)nnc2C(C)(C)C)C1 ZINC001360012813 1064811366 /nfs/dbraw/zinc/81/13/66/1064811366.db2.gz WSISUXOTCUTMEC-DQEYMECFSA-N 2 0 466.718 4.654 20 0 JJADRP CC(C)C[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001360021238 1064824331 /nfs/dbraw/zinc/82/43/31/1064824331.db2.gz BOIMGIZZBAYZJR-NRFANRHFSA-N 2 0 473.109 4.887 20 0 JJADRP CC(C)[N@H+](C)CC1CCN(c2nnc(Cc3ccccc3F)n2CC[NH+]2CCCC(C)(C)C2)CC1 ZINC001360095954 1064971526 /nfs/dbraw/zinc/97/15/26/1064971526.db2.gz TWHSHXZLOQHLTC-UHFFFAOYSA-N 2 0 484.708 4.687 20 0 JJADRP CC(C)[N@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1CCC[NH+](C2CCCC2)CC1 ZINC001360098509 1064977836 /nfs/dbraw/zinc/97/78/36/1064977836.db2.gz VPGOJGQLDDSKHJ-UHFFFAOYSA-N 2 0 459.082 4.784 20 0 JJADRP CC(C)[NH+](CCCn1c(-c2ccccc2F)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1)C(C)C ZINC001360125590 1065018359 /nfs/dbraw/zinc/01/83/59/1065018359.db2.gz PNWQBOJKLDDVLS-QHCPKHFHSA-N 2 0 470.681 4.905 20 0 JJADRP CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3ccc(Cl)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001360138817 1065035064 /nfs/dbraw/zinc/03/50/64/1065035064.db2.gz KFCSOBSYZWQAAR-HXUWFJFHSA-N 2 0 459.082 4.639 20 0 JJADRP CC(C)[N@@H+]1CCCN(c2nnc(CC(C)(C)C)n2C[C@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC001360146741 1065048487 /nfs/dbraw/zinc/04/84/87/1065048487.db2.gz USRDAWYNSMVQAA-JOCHJYFZSA-N 2 0 456.679 4.607 20 0 JJADRP CC(C)[NH+]1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001360149373 1065052379 /nfs/dbraw/zinc/05/23/79/1065052379.db2.gz MFPPSFSQOGLSPQ-UHFFFAOYSA-N 2 0 484.689 4.931 20 0 JJADRP CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001360305594 1065140795 /nfs/dbraw/zinc/14/07/95/1065140795.db2.gz WSFHOFGXKDSUQV-UHFFFAOYSA-N 2 0 459.082 4.830 20 0 JJADRP CC(C)[NH2+]C1CCN(c2nnc(-c3ccccc3Cl)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001360307042 1065142685 /nfs/dbraw/zinc/14/26/85/1065142685.db2.gz OGMUZLDMTOGEEE-HXUWFJFHSA-N 2 0 459.082 4.830 20 0 JJADRP CC(C)[NH2+]C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001360308751 1065144493 /nfs/dbraw/zinc/14/44/93/1065144493.db2.gz LXACUQYBXKRFDB-JOCHJYFZSA-N 2 0 487.117 4.854 20 0 JJADRP CC(C)[NH2+]C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001360310106 1065147273 /nfs/dbraw/zinc/14/72/73/1065147273.db2.gz ZCIGOTPDRQMHLY-ICDZXHCJSA-N 2 0 488.765 4.818 20 0 JJADRP C[C@H](CCn1c(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)nnc1C(C)(C)C)[NH+]1CCCCC1 ZINC001360511790 1065458178 /nfs/dbraw/zinc/45/81/78/1065458178.db2.gz ZYMZFEHZCWIGDT-RPWUZVMVSA-N 2 0 458.739 4.933 20 0 JJADRP C[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1)[NH+](C)C ZINC001360542063 1065530369 /nfs/dbraw/zinc/53/03/69/1065530369.db2.gz XAKSJVOAPZCRBH-FCHUYYIVSA-N 2 0 452.691 4.505 20 0 JJADRP C[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1)[NH+](C)C ZINC001360542066 1065530947 /nfs/dbraw/zinc/53/09/47/1065530947.db2.gz XAKSJVOAPZCRBH-VXKWHMMOSA-N 2 0 452.691 4.505 20 0 JJADRP CC(C)[N@@H+]1CCCN(c2nnc(Cc3ccsc3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001360645388 1065720409 /nfs/dbraw/zinc/72/04/09/1065720409.db2.gz IJVUVXDMTLLAKP-QFIPXVFZSA-N 2 0 480.726 4.980 20 0 JJADRP CC(C)[N@@H+]1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2[NH+](C)CCCC2(C)C)CC1 ZINC001360745897 1065786253 /nfs/dbraw/zinc/78/62/53/1065786253.db2.gz QCSRWVAQVVKJPK-XUZZJYLKSA-N 2 0 486.680 4.598 20 0 JJADRP CC(C)[N@@H+]1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H]2[NH+](C)CCCC2(C)C)CC1 ZINC001360745898 1065786455 /nfs/dbraw/zinc/78/64/55/1065786455.db2.gz QCSRWVAQVVKJPK-ZJSXRUAMSA-N 2 0 486.680 4.598 20 0 JJADRP C[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[NH+](C)C ZINC001360760685 1065833817 /nfs/dbraw/zinc/83/38/17/1065833817.db2.gz RESLHHJMCRDZBT-UXHICEINSA-N 2 0 477.097 4.580 20 0 JJADRP CC(C)[NH+](CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1)C(C)C ZINC001360761172 1065836208 /nfs/dbraw/zinc/83/62/08/1065836208.db2.gz ZVRFWBWOIQEVAU-FYYLOGMGSA-N 2 0 489.108 4.865 20 0 JJADRP C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001360761116 1065836249 /nfs/dbraw/zinc/83/62/49/1065836249.db2.gz ZCHUBMWMABIISL-FQEVSTJZSA-N 2 0 489.108 4.866 20 0 JJADRP CC(C)[N@H+](C)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001360761102 1065836359 /nfs/dbraw/zinc/83/63/59/1065836359.db2.gz YXKSLEUZDAKKMY-NRFANRHFSA-N 2 0 489.108 4.866 20 0 JJADRP CC(C)[NH+](CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)C(C)C ZINC001360761174 1065837207 /nfs/dbraw/zinc/83/72/07/1065837207.db2.gz ZVRFWBWOIQEVAU-GMAHTHKFSA-N 2 0 489.108 4.865 20 0 JJADRP CC(C)[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](C(C)(C)C)CC1)[NH+]1CCCC1 ZINC001360774849 1065875245 /nfs/dbraw/zinc/87/52/45/1065875245.db2.gz URTCSFFGFWMPMA-GMAHTHKFSA-N 2 0 486.680 4.598 20 0 JJADRP CC(C)[C@@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](C(C)(C)C)CC1)[NH+]1CCCC1 ZINC001360774850 1065875536 /nfs/dbraw/zinc/87/55/36/1065875536.db2.gz URTCSFFGFWMPMA-JTHBVZDNSA-N 2 0 486.680 4.598 20 0 JJADRP Cc1cccc(O[C@@H](C)c2nnc(N3CC[NH+](CC(C)C)CC3)n2CC[N@@H+]2CCCC(C)(C)C2)c1C ZINC001360878658 1066026360 /nfs/dbraw/zinc/02/63/60/1066026360.db2.gz XPXCOASRQNDHFS-VWLOTQADSA-N 2 0 496.744 4.935 20 0 JJADRP CC[C@@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)[NH+]1CCCC1 ZINC001545951708 1066157878 /nfs/dbraw/zinc/15/78/78/1066157878.db2.gz BJSNNHBFULYKAB-GGAORHGYSA-N 2 0 486.680 4.742 20 0 JJADRP Cc1cc(C)cc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC[C@H](C)[NH+]2CCCCC2)c1 ZINC001361030900 1066238753 /nfs/dbraw/zinc/23/87/53/1066238753.db2.gz AIQIPQFLESDXMX-DEOSSOPVSA-N 2 0 482.717 4.705 20 0 JJADRP Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001361125957 1066381499 /nfs/dbraw/zinc/38/14/99/1066381499.db2.gz IAXJBYWWJOJGJG-DSNGMDLFSA-N 2 0 496.744 4.938 20 0 JJADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC001443929477 1066386289 /nfs/dbraw/zinc/38/62/89/1066386289.db2.gz RLSAAMKWYOTVCM-XSBVVTFOSA-N 2 0 463.666 4.551 20 0 JJADRP Cc1ccc(C)c(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@H](C)[NH+]2CCC[C@H](C)C2)c1 ZINC001361158649 1066461879 /nfs/dbraw/zinc/46/18/79/1066461879.db2.gz DVGVWBBMNJDXDW-UKILVPOCSA-N 2 0 482.717 4.515 20 0 JJADRP Cc1ccc(-c2nnc(N(C)C3CC[NH+](Cc4ccccc4)CC3)n2CCC[N@@H+](C)C(C)C)o1 ZINC001361171308 1066486447 /nfs/dbraw/zinc/48/64/47/1066486447.db2.gz NPMCMVYJHUKSOJ-UHFFFAOYSA-N 2 0 464.658 4.678 20 0 JJADRP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001361192144 1066519514 /nfs/dbraw/zinc/51/95/14/1066519514.db2.gz HZWFIICPBAUOLH-ZCYQVOJMSA-N 2 0 459.556 4.737 20 0 JJADRP Cc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@@H](C(C)C)[NH+]2CCCC2)o1 ZINC001361225996 1066564558 /nfs/dbraw/zinc/56/45/58/1066564558.db2.gz SQTCYUIBLGGAOF-QFIPXVFZSA-N 2 0 456.679 4.525 20 0 JJADRP C[C@@H]1C[C@@H](NC(=O)[C@@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001457241314 1066797216 /nfs/dbraw/zinc/79/72/16/1066797216.db2.gz UQSKOFDCIZPBIX-JHMXWDHMSA-N 2 0 459.556 4.610 20 0 JJADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1cccc(C(F)(F)F)c1 ZINC001448059200 1066894529 /nfs/dbraw/zinc/89/45/29/1066894529.db2.gz BZFZQDAEIYVSHB-PKTZIBPZSA-N 2 0 459.556 4.727 20 0 JJADRP Cc1nnc(N(C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492776925 1066947122 /nfs/dbraw/zinc/94/71/22/1066947122.db2.gz JZXGPYBVTCRAAM-AALWMKDKSA-N 2 0 466.718 4.834 20 0 JJADRP Cc1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001492805129 1066954477 /nfs/dbraw/zinc/95/44/77/1066954477.db2.gz ZVQHAHANNDWRAU-CPJSRVTESA-N 2 0 456.654 4.509 20 0 JJADRP Cc1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001492847259 1066957580 /nfs/dbraw/zinc/95/75/80/1066957580.db2.gz JHWUMIFHQZXGKD-ISKFKSNPSA-N 2 0 452.691 4.808 20 0 JJADRP CC[C@@H](Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[NH+]1CCCC1 ZINC001546010050 1066964789 /nfs/dbraw/zinc/96/47/89/1066964789.db2.gz DQADFLDJYWOKJO-VWLOTQADSA-N 2 0 496.744 4.907 20 0 JJADRP CC[C@@H](c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1CC(C)(C)[NH+]1CCC(OC)CC1)c1ccccc1 ZINC001545730631 1066988200 /nfs/dbraw/zinc/98/82/00/1066988200.db2.gz CUTATAQXPVNIKJ-JCYRPKCISA-N 2 0 496.744 4.628 20 0 JJADRP CC[C@@H](c1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1C[C@@H](CC(C)C)[NH+](C)C)c1ccccc1 ZINC001545732248 1066993560 /nfs/dbraw/zinc/99/35/60/1066993560.db2.gz ZMMNUMNKHMKQMW-WREZULKGSA-N 2 0 454.707 4.715 20 0 JJADRP CC[C@@H](c1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1C[C@@H](C)[NH+](C)C)c1ccccc1 ZINC001545746786 1067015836 /nfs/dbraw/zinc/01/58/36/1067015836.db2.gz UYTBGLUBJSGVKY-DGWZTRNLSA-N 2 0 466.718 4.718 20 0 JJADRP CC[C@H](c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCC[NH+](CC)CC)c1ccccc1 ZINC001545751343 1067023363 /nfs/dbraw/zinc/02/33/63/1067023363.db2.gz DJXRSHFNNHMNAB-DEOSSOPVSA-N 2 0 454.707 4.863 20 0 JJADRP CC[C@H](c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@@H](C(C)C)[NH+]1CCCC1)c1ccccc1 ZINC001545752112 1067026465 /nfs/dbraw/zinc/02/64/65/1067026465.db2.gz RBTNNOVEHKAJPO-UIOOFZCWSA-N 2 0 466.718 4.861 20 0 JJADRP CC[C@@H](c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC1(SC)CC[NH+](C)CC1)c1ccccc1 ZINC001545756395 1067033272 /nfs/dbraw/zinc/03/32/72/1067033272.db2.gz HCWCNGVMYZRBSN-HSZRJFAPSA-N 2 0 484.758 4.568 20 0 JJADRP CC[C@H](c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1CC1([NH+](C)C)CCCCC1)c1ccccc1 ZINC001545758415 1067037794 /nfs/dbraw/zinc/03/77/94/1067037794.db2.gz GSTSANMXHYERRQ-VWNXMTODSA-N 2 0 452.691 4.615 20 0 JJADRP CC[C@H](c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC001545761438 1067045370 /nfs/dbraw/zinc/04/53/70/1067045370.db2.gz RLHAATUZAPCWPI-RPBOFIJWSA-N 2 0 452.691 4.613 20 0 JJADRP CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCC2)CC1)[NH+](C)C ZINC001545807738 1067128198 /nfs/dbraw/zinc/12/81/98/1067128198.db2.gz NLCKXQXAZYZWSK-QHCPKHFHSA-N 2 0 459.082 4.639 20 0 JJADRP CCC(CC)[C@@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[NH+](C)C ZINC001545808483 1067134977 /nfs/dbraw/zinc/13/49/77/1067134977.db2.gz ZXBOGCAPTRSBIU-HSZRJFAPSA-N 2 0 498.716 4.598 20 0 JJADRP CCC(CC)[C@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[NH+](C)C ZINC001545808484 1067135028 /nfs/dbraw/zinc/13/50/28/1067135028.db2.gz ZXBOGCAPTRSBIU-QHCPKHFHSA-N 2 0 498.716 4.598 20 0 JJADRP CCC(CC)[C@@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[N@@H+](C(C)C)CC1)[NH+](C)C ZINC001545809626 1067136408 /nfs/dbraw/zinc/13/64/08/1067136408.db2.gz HRHFVROUHZQATA-AREMUKBSSA-N 2 0 479.717 4.724 20 0 JJADRP CCC(CC)[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1)[NH+](C)C ZINC001545817117 1067146489 /nfs/dbraw/zinc/14/64/89/1067146489.db2.gz FBZWBRATYCTIDJ-HSZRJFAPSA-N 2 0 475.125 4.809 20 0 JJADRP CCC(CC)[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+](C)C ZINC001545819684 1067155566 /nfs/dbraw/zinc/15/55/66/1067155566.db2.gz KJNYRRMMZYWDGK-VWNXMTODSA-N 2 0 489.108 4.551 20 0 JJADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001453391523 1067303065 /nfs/dbraw/zinc/30/30/65/1067303065.db2.gz SWBRSYLXEDZELY-QGUKFAFCSA-N 2 0 454.058 4.792 20 0 JJADRP COc1ccc(NC(=O)C2([NH2+]Cc3ccc(C[NH+]4CCCCC4)cc3)CCCC2)cc1OC ZINC001459709717 1067390724 /nfs/dbraw/zinc/39/07/24/1067390724.db2.gz ZHHRNTLSRDKKPX-UHFFFAOYSA-N 2 0 451.611 4.731 20 0 JJADRP C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001459806681 1067431571 /nfs/dbraw/zinc/43/15/71/1067431571.db2.gz LCQLAKBQBPWJEE-QFIPXVFZSA-N 2 0 451.611 4.630 20 0 JJADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H](CCc3ccccc3)c3ccccc3)CC2)cc1 ZINC001459839816 1067447512 /nfs/dbraw/zinc/44/75/12/1067447512.db2.gz CVUNXWLWBWCSLJ-GDLZYMKVSA-N 2 0 455.646 4.993 20 0 JJADRP COC(=O)c1ccc(Br)c(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC001460173072 1067570113 /nfs/dbraw/zinc/57/01/13/1067570113.db2.gz TWFSYJRCWINDRG-UHFFFAOYSA-N 2 0 457.412 4.724 20 0 JJADRP C[NH+](C)[C@@H](CNC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCCCC1)c1ccccc1 ZINC001460409845 1067629709 /nfs/dbraw/zinc/62/97/09/1067629709.db2.gz MQCCFWNQMMTBJY-QFIPXVFZSA-N 2 0 458.444 4.617 20 0 JJADRP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CC[C@@H](c4cccc(Cl)c4)C3(C)C)cc2)CC1 ZINC001460723777 1067709883 /nfs/dbraw/zinc/70/98/83/1067709883.db2.gz FCEULAWDJXRMFB-DEOSSOPVSA-N 2 0 455.046 4.689 20 0 JJADRP Clc1cc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)ccc1Br ZINC001461065958 1067774736 /nfs/dbraw/zinc/77/47/36/1067774736.db2.gz XDPAKBBCFKFVMP-UHFFFAOYSA-N 2 0 450.852 4.790 20 0 JJADRP Brc1ccc2ncc(C[NH2+]CCCC[NH+]3CCC(Cc4ccccc4)CC3)n2c1 ZINC001461144670 1067788773 /nfs/dbraw/zinc/78/87/73/1067788773.db2.gz HUVGWEXTXLJTEH-UHFFFAOYSA-N 2 0 455.444 4.921 20 0 JJADRP Clc1ccc(Br)c(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001461282817 1067817566 /nfs/dbraw/zinc/81/75/66/1067817566.db2.gz BZUVWVHULHEMST-UHFFFAOYSA-N 2 0 452.824 4.658 20 0 JJADRP CN(c1ccccc1C[NH2+]C[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC[NH+](C)CC1 ZINC001461406445 1067847684 /nfs/dbraw/zinc/84/76/84/1067847684.db2.gz MGWYPTJVEBZPAG-QFQXNSOFSA-N 2 0 459.053 4.792 20 0 JJADRP CN(c1ccccc1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1)C1CC[NH+](C)CC1 ZINC001461541025 1067884791 /nfs/dbraw/zinc/88/47/91/1067884791.db2.gz PYXHRCUJXQVIKI-JOCHJYFZSA-N 2 0 456.675 4.629 20 0 JJADRP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC001461543390 1067885226 /nfs/dbraw/zinc/88/52/26/1067885226.db2.gz PWWCLRXEWPIATG-UHFFFAOYSA-N 2 0 456.034 4.974 20 0 JJADRP Ic1ccc(C[NH2+][C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC001461820937 1067941675 /nfs/dbraw/zinc/94/16/75/1067941675.db2.gz YBLWOFDICGCCPC-SQNIBIBYSA-N 2 0 452.405 4.743 20 0 JJADRP CC1CC[NH+](Cc2cccc(CNC(=O)[C@H]3C[N@H+](Cc4ccccc4)CCC3(F)F)c2)CC1 ZINC001464706246 1068831892 /nfs/dbraw/zinc/83/18/92/1068831892.db2.gz UHGCPWUYQIKXIM-RUZDIDTESA-N 2 0 455.593 4.692 20 0 JJADRP Clc1ncc2c(c1N1CCCCC13CC[NH2+]CC3)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164421540 718911079 /nfs/dbraw/zinc/91/10/79/718911079.db2.gz UBAXSOXOIVSJTE-UHFFFAOYSA-N 2 0 467.057 4.869 20 0 JJADRP C[NH+](C)CCNC(=O)C[C@H]1CC2(CC[NH+](C(C)(C)c3ccnc(Cl)c3)CC2)c2ccccc21 ZINC001164685550 719684215 /nfs/dbraw/zinc/68/42/15/719684215.db2.gz LDZQXGOJZAIUCB-FQEVSTJZSA-N 2 0 469.073 4.559 20 0 JJADRP CC[N@@H+]1CCCC[C@H]1c1ccc(N(Cc2nn(C(C)C)c3c2CC[NH2+]C3)c2nccs2)nc1 ZINC001164709666 720091640 /nfs/dbraw/zinc/09/16/40/720091640.db2.gz CBGPQIARRWTCKX-QFIPXVFZSA-N 2 0 465.671 4.846 20 0 JJADRP CC(C)n1nc(CN(c2nccs2)c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)c2c1C[NH2+]CC2 ZINC001164711489 720091942 /nfs/dbraw/zinc/09/19/42/720091942.db2.gz PWQUAOXHTMEZOM-UHFFFAOYSA-N 2 0 499.688 4.858 20 0 JJADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3c1ccn3Cc1ccccc1)CC2 ZINC001164717483 720123067 /nfs/dbraw/zinc/12/30/67/720123067.db2.gz PLRXTTUQBSCDBT-AREMUKBSSA-N 2 0 481.644 4.987 20 0 JJADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@@H](COC)[NH+](Cc4ccccn4)C3)CC2)nc1 ZINC001164712222 720153133 /nfs/dbraw/zinc/15/31/33/720153133.db2.gz LCEVUNPYCDSBPC-SVBPBHIXSA-N 2 0 477.697 4.921 20 0 JJADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[NH+]3C(C)C)C2)nc1 ZINC001164840814 720636343 /nfs/dbraw/zinc/63/63/43/720636343.db2.gz QXMFKICSMIFJTH-VEYUFSJPSA-N 2 0 450.675 4.593 20 0 JJADRP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3[nH+]c(N4CCCC4)cc4ccccc43)C2)C1 ZINC001164786022 721368266 /nfs/dbraw/zinc/36/82/66/721368266.db2.gz UMCJUOOZCCMZSY-NDEPHWFRSA-N 2 0 475.637 4.559 20 0 JJADRP CC(C)C[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1)[NH+](C)C ZINC001359766421 1064391687 /nfs/dbraw/zinc/39/16/87/1064391687.db2.gz NNDCWEXIHQYARR-RBBKRZOGSA-N 2 0 473.109 4.885 20 0 JJADRP CC(C)Cc1nnc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1C[C@@H]1[NH+](C)CCCC1(C)C ZINC001359778078 1064422892 /nfs/dbraw/zinc/42/28/92/1064422892.db2.gz YJFNYFNICMTVNJ-DQEYMECFSA-N 2 0 466.718 4.698 20 0 JJADRP CC(C)Cc1nnc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001359802062 1064469762 /nfs/dbraw/zinc/46/97/62/1064469762.db2.gz GYUDCNKULOHAQH-RPBOFIJWSA-N 2 0 466.718 4.842 20 0 JJADRP CC(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001359833431 1064519193 /nfs/dbraw/zinc/51/91/93/1064519193.db2.gz XOGINYUAQMDGAZ-CCDWMCETSA-N 2 0 458.739 4.545 20 0 JJADRP CC(C)Cc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001359833519 1064519603 /nfs/dbraw/zinc/51/96/03/1064519603.db2.gz YPRVKLDHMUEPCQ-JWQCQUIFSA-N 2 0 458.739 4.689 20 0 JJADRP CC(C)Cc1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001359841106 1064528111 /nfs/dbraw/zinc/52/81/11/1064528111.db2.gz BTCKDWHAIQDTMI-HSZRJFAPSA-N 2 0 454.707 4.698 20 0 JJADRP CC(C)Cc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001359859592 1064547689 /nfs/dbraw/zinc/54/76/89/1064547689.db2.gz AJUPEXZOHZWREH-UBFVSLLYSA-N 2 0 480.745 4.944 20 0 JJADRP CC(C)Cc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1CCCC[NH+]1CCC(C)CC1 ZINC001359860580 1064549520 /nfs/dbraw/zinc/54/95/20/1064549520.db2.gz JMKFHXZCURZZAR-RUZDIDTESA-N 2 0 466.718 4.699 20 0 JJADRP CC(C)CC[NH+]1CCC(Cn2c(Cc3ccc(F)cc3)nnc2N2CCC([NH2+]C(C)C)CC2)CC1 ZINC001359948972 1064701494 /nfs/dbraw/zinc/70/14/94/1064701494.db2.gz UVXGCNGRFHAIPL-UHFFFAOYSA-N 2 0 484.708 4.733 20 0 JJADRP CC(C)C[N@@H+]1CCC[C@@H](Cn2c(N3CC[C@H]([NH+](C)Cc4ccccc4)C3)nnc2C(C)(C)C)C1 ZINC001360012816 1064811135 /nfs/dbraw/zinc/81/11/35/1064811135.db2.gz WSISUXOTCUTMEC-RPBOFIJWSA-N 2 0 466.718 4.654 20 0 JJADRP Cc1ccccc1C[NH+]1CCN(c2nnc(CC(C)C)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001492596885 1064901045 /nfs/dbraw/zinc/90/10/45/1064901045.db2.gz XASIUUZOTJLHMC-JWQCQUIFSA-N 2 0 480.745 4.865 20 0 JJADRP CC(C)[N@H+](C)Cc1ccccc1Cn1c(N2CCC[NH+](C(C)(C)C)CC2)nnc1C(C)(C)C ZINC001360092943 1064964764 /nfs/dbraw/zinc/96/47/64/1064964764.db2.gz YHFNJRWKTZEZJC-UHFFFAOYSA-N 2 0 454.707 4.775 20 0 JJADRP CC(C)[N@H+](C)CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001360097562 1064975452 /nfs/dbraw/zinc/97/54/52/1064975452.db2.gz LNBWKFJWUAKNJD-UHFFFAOYSA-N 2 0 452.691 4.647 20 0 JJADRP CC(C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001360113983 1064996974 /nfs/dbraw/zinc/99/69/74/1064996974.db2.gz VIDJDVZMXFVRBI-JIMJEQGWSA-N 2 0 496.744 4.638 20 0 JJADRP CC(C)[NH+](CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)C(C)C ZINC001360123094 1065013442 /nfs/dbraw/zinc/01/34/42/1065013442.db2.gz CCPZZFXPBWXTDT-NRFANRHFSA-N 2 0 477.072 4.921 20 0 JJADRP CC(C)[N@@H+]1CCC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001360141614 1065040904 /nfs/dbraw/zinc/04/09/04/1065040904.db2.gz QRSWRVRAFDYMAQ-QFIPXVFZSA-N 2 0 473.109 4.563 20 0 JJADRP CC(C)[N@@H+]1CCCN(c2nnc(-c3ccccc3F)n2CCC[NH+](C)C2CCCCC2)CC1 ZINC001360144447 1065045970 /nfs/dbraw/zinc/04/59/70/1065045970.db2.gz JGEORQJHDBODAL-UHFFFAOYSA-N 2 0 456.654 4.659 20 0 JJADRP CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001360309727 1065145928 /nfs/dbraw/zinc/14/59/28/1065145928.db2.gz KIQWASSAXULZGY-OAQYLSRUSA-N 2 0 482.717 4.604 20 0 JJADRP C[C@@H](CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001360511164 1065455591 /nfs/dbraw/zinc/45/55/91/1065455591.db2.gz ULWWPEFHZURBHQ-NRFANRHFSA-N 2 0 489.108 4.696 20 0 JJADRP C[C@H](CCn1c(CC(C)(C)C)nnc1N1CC[NH+](CCc2cccs2)CC1)[NH+]1CCCCC1 ZINC001360510946 1065455647 /nfs/dbraw/zinc/45/56/47/1065455647.db2.gz RNLHNBQBWFMLJT-JOCHJYFZSA-N 2 0 472.747 4.557 20 0 JJADRP C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)[NH+](C)C1CC1 ZINC001360540691 1065526086 /nfs/dbraw/zinc/52/60/86/1065526086.db2.gz FAYGFXOCRAJNAN-KRWDZBQOSA-N 2 0 463.045 4.531 20 0 JJADRP C[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1)[NH+](C)C ZINC001360743876 1065780508 /nfs/dbraw/zinc/78/05/08/1065780508.db2.gz LAGZZVGJELFXNS-YADHBBJMSA-N 2 0 486.680 4.600 20 0 JJADRP C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001360745376 1065784437 /nfs/dbraw/zinc/78/44/37/1065784437.db2.gz JLAUNRVPLFUBGV-OAQYLSRUSA-N 2 0 486.680 4.742 20 0 JJADRP C[C@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[NH+](C)C ZINC001360760687 1065833967 /nfs/dbraw/zinc/83/39/67/1065833967.db2.gz RESLHHJMCRDZBT-WOJBJXKFSA-N 2 0 477.097 4.580 20 0 JJADRP CC(C)[N@H+](C)CCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001360760848 1065834889 /nfs/dbraw/zinc/83/48/89/1065834889.db2.gz UHVBPXIFKHTOOY-FQEVSTJZSA-N 2 0 477.097 4.722 20 0 JJADRP Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCC[NH+]2CCCCC2)c1C ZINC001360877456 1066023585 /nfs/dbraw/zinc/02/35/85/1066023585.db2.gz LPWRMDXRMYPCCI-XMMPIXPASA-N 2 0 482.717 4.831 20 0 JJADRP Cc1ccc(C(C)C)c(OCc2nnc(N3CC[NH+](C4CCC(C)CC4)CC3)n2C[C@H](C)[NH+](C)C)c1 ZINC001361129708 1066393464 /nfs/dbraw/zinc/39/34/64/1066393464.db2.gz CEGJFDCLROHGOG-JYNIAERNSA-N 2 0 496.744 4.940 20 0 JJADRP Cc1ccc(C)c(OCc2nnc(N3CCC([NH+]4CCCCC4)CC3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001361154736 1066451569 /nfs/dbraw/zinc/45/15/69/1066451569.db2.gz FSPPOIAJJXZOLB-UHFFFAOYSA-N 2 0 482.717 4.659 20 0 JJADRP Cc1ccc(C)c(OCc2nnc(N3CCC[N@@H+](C4CCCC4)CC3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001361159170 1066464036 /nfs/dbraw/zinc/46/40/36/1066464036.db2.gz RCLBJMHOTDLWIO-UHFFFAOYSA-N 2 0 482.717 4.516 20 0 JJADRP Cc1ccc(C)c(OCc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@@H](C)C[NH+]2CCCC2)c1 ZINC001361162240 1066469471 /nfs/dbraw/zinc/46/94/71/1066469471.db2.gz LIRYLQNJUFIKAX-DEOSSOPVSA-N 2 0 496.744 4.764 20 0 JJADRP Cc1ccc(-c2nnc(N3CCC[C@@H](C[NH+]4CCCCCC4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)o1 ZINC001361212563 1066547515 /nfs/dbraw/zinc/54/75/15/1066547515.db2.gz NOQSYISJTQLEBI-BJKOFHAPSA-N 2 0 470.706 4.915 20 0 JJADRP Cc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)o1 ZINC001361220699 1066558040 /nfs/dbraw/zinc/55/80/40/1066558040.db2.gz AEWVUDSPLZZJRZ-OAQYLSRUSA-N 2 0 464.658 4.896 20 0 JJADRP CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC001545994735 1066795941 /nfs/dbraw/zinc/79/59/41/1066795941.db2.gz FFDLDYZSZWJALE-ZCYQVOJMSA-N 2 0 466.718 4.842 20 0 JJADRP C[C@@H]1C[C@H](NC(=O)[C@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001457241317 1066797164 /nfs/dbraw/zinc/79/71/64/1066797164.db2.gz UQSKOFDCIZPBIX-XRODADMRSA-N 2 0 459.556 4.610 20 0 JJADRP Cc1cccc([C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)c1 ZINC001457396446 1066821875 /nfs/dbraw/zinc/82/18/75/1066821875.db2.gz XCNRUHWLAOJGFD-WUFINQPMSA-N 2 0 459.609 4.598 20 0 JJADRP CC[C@H](c1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C)c1ccccc1 ZINC001545751277 1067022875 /nfs/dbraw/zinc/02/28/75/1067022875.db2.gz BQZJPHWZGWMFFF-LOSJGSFVSA-N 2 0 466.718 4.861 20 0 JJADRP CC[C@H](c1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1CC[N@@H+]1CCC[C@@H]1C)c1ccccc1 ZINC001545752493 1067028403 /nfs/dbraw/zinc/02/84/03/1067028403.db2.gz YITRVHYSTXNMJO-UPVQGACJSA-N 2 0 452.691 4.615 20 0 JJADRP CCC(CC)[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)[NH+](C)C ZINC001545804778 1067116065 /nfs/dbraw/zinc/11/60/65/1067116065.db2.gz BHKRYHRQWYMZKL-PBXXJUDPSA-N 2 0 486.680 4.598 20 0 JJADRP CCC(CC)[C@H](Cn1c(CC2CCCC2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)[NH+](C)C ZINC001545819419 1067154291 /nfs/dbraw/zinc/15/42/91/1067154291.db2.gz FLTLWNDCIUBKIY-BWKNWUBXSA-N 2 0 458.739 4.688 20 0 JJADRP CCC(CC)[C@H](Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)[NH+](C)C ZINC001545820294 1067158529 /nfs/dbraw/zinc/15/85/29/1067158529.db2.gz VGKHSBYQUVRKLV-VJTSUQJLSA-N 2 0 482.717 4.513 20 0 JJADRP CCC(CC)[C@@H](Cn1c(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nnc1C(C)(C)C)[NH+](C)C ZINC001545820522 1067159897 /nfs/dbraw/zinc/15/98/97/1067159897.db2.gz YXJHXMGQTVLGOA-DNQXCXABSA-N 2 0 454.707 4.653 20 0 JJADRP CC(C)([C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC001458835087 1067163582 /nfs/dbraw/zinc/16/35/82/1067163582.db2.gz JCFPBMIHUMAPQJ-DHLKQENFSA-N 2 0 455.593 4.909 20 0 JJADRP CC(C)([C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC001458835093 1067163689 /nfs/dbraw/zinc/16/36/89/1067163689.db2.gz JCFPBMIHUMAPQJ-RDGATRHJSA-N 2 0 455.593 4.909 20 0 JJADRP C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001459806679 1067431581 /nfs/dbraw/zinc/43/15/81/1067431581.db2.gz LCQLAKBQBPWJEE-JOCHJYFZSA-N 2 0 451.611 4.630 20 0 JJADRP CC(C)[C@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc(Cl)cc1F ZINC001459919651 1067491344 /nfs/dbraw/zinc/49/13/44/1067491344.db2.gz BOJMTLQLCCPGSW-QHCPKHFHSA-N 2 0 450.023 4.953 20 0 JJADRP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+][C@H](C)c3ccc(Cl)c4ccccc43)cc2)CC1 ZINC001459996361 1067519547 /nfs/dbraw/zinc/51/95/47/1067519547.db2.gz OMUPMJZCEZUNHJ-LJQANCHMSA-N 2 0 451.014 4.924 20 0 JJADRP CSc1ccc(OC[C@H](O)C[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001460538452 1067653183 /nfs/dbraw/zinc/65/31/83/1067653183.db2.gz CLAVRXOWCYNORN-ZEQKJWHPSA-N 2 0 454.680 4.771 20 0 JJADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1C[NH+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001460620548 1067675290 /nfs/dbraw/zinc/67/52/90/1067675290.db2.gz SVDDJLBLNCBSDL-UFOWSGCLSA-N 2 0 455.646 4.713 20 0 JJADRP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001461062129 1067773599 /nfs/dbraw/zinc/77/35/99/1067773599.db2.gz MSKRQVODSAQHRY-UHFFFAOYSA-N 2 0 452.046 4.522 20 0 JJADRP CC1CC[NH+](C2CCC([NH2+]Cc3cc(Br)cc(Br)c3N)CC2)CC1 ZINC001461372993 1067840649 /nfs/dbraw/zinc/84/06/49/1067840649.db2.gz IULHSXPSFYLZSM-UHFFFAOYSA-N 2 0 459.270 4.927 20 0 JJADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+]Cc3cc(Cl)c4c(c3)OCCCO4)cc2)C[C@H]1C ZINC001461399315 1067846378 /nfs/dbraw/zinc/84/63/78/1067846378.db2.gz GTKVMTCMUHSKIL-BGYRXZFFSA-N 2 0 459.030 4.800 20 0 JJADRP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC001461628234 1067905276 /nfs/dbraw/zinc/90/52/76/1067905276.db2.gz QQYRZNKUGBQPIK-UHFFFAOYSA-N 2 0 451.442 4.527 20 0 JJADRP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccc(N3CCC[C@@H](C(=O)OC(C)(C)C)C3)o2)n1 ZINC001461863003 1067949750 /nfs/dbraw/zinc/94/97/50/1067949750.db2.gz AFAIKXWHMPKGLU-NHCUHLMSSA-N 2 0 454.615 4.618 20 0 JJADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)CC3 ZINC001462565610 1068099592 /nfs/dbraw/zinc/09/95/92/1068099592.db2.gz NAMTWNBCRPTMAX-NRFANRHFSA-N 2 0 454.659 4.646 20 0 JJADRP COc1cccc([C@@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)[NH+](C)C)c1 ZINC001463771837 1068519944 /nfs/dbraw/zinc/51/99/44/1068519944.db2.gz VSNBXCIVSCPQLD-ZGIBFIJWSA-N 2 0 471.645 4.638 20 0 JJADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC001464241964 1068671991 /nfs/dbraw/zinc/67/19/91/1068671991.db2.gz UYGVTGYGTNJYCJ-NRFANRHFSA-N 2 0 455.046 4.865 20 0 JJADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2sc(Nc3ccccc3)nc2s1 ZINC001464697642 1068828567 /nfs/dbraw/zinc/82/85/67/1068828567.db2.gz TUVQKIVDBWNYIX-SFHVURJKSA-N 2 0 457.669 4.590 20 0 JJADRP FC1(F)CCN(c2[nH+]c(N3CCCC3)cc3ccccc32)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164910685 721726746 /nfs/dbraw/zinc/72/67/46/721726746.db2.gz HPYSZWDVWVLBDB-AREMUKBSSA-N 2 0 463.576 4.968 20 0 JJADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)nc1 ZINC001164913809 721734724 /nfs/dbraw/zinc/73/47/24/721734724.db2.gz XYJGWNNNEDCRHG-NOZRDPDXSA-N 2 0 455.597 4.761 20 0 JJADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c(n3)CC[NH+](Cc3ccccc3)C4)C[C@@H]21 ZINC001165017876 721807628 /nfs/dbraw/zinc/80/76/28/721807628.db2.gz BALLOCZUKUQJGB-PZFKOMAXSA-N 2 0 467.661 4.772 20 0 JJADRP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc5c(n4)CC[NH+](Cc4ccccc4)C5)CC3)C2)cc1 ZINC001164939824 721924470 /nfs/dbraw/zinc/92/44/70/721924470.db2.gz NTLYDSHTHCDJLS-UHFFFAOYSA-N 2 0 482.672 4.820 20 0 JJADRP Cc1ccc2c(c1)C1(CN2C(=O)c2ccco2)CCN(c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)CC1 ZINC001164990593 722189238 /nfs/dbraw/zinc/18/92/38/722189238.db2.gz LHENBBCRJWTDQE-UHFFFAOYSA-N 2 0 486.616 4.655 20 0 JJADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC001434923428 1064351963 /nfs/dbraw/zinc/35/19/63/1064351963.db2.gz YRMUDZWFKIUUMN-AOYPEHQESA-N 2 0 451.680 4.765 20 0 JJADRP CC(C)C[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1)[NH+](C)C ZINC001359766806 1064394415 /nfs/dbraw/zinc/39/44/15/1064394415.db2.gz USAZACUKSMESJC-YADHBBJMSA-N 2 0 473.109 4.887 20 0 JJADRP CC(C)C[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)[NH+](C)C ZINC001359766835 1064394432 /nfs/dbraw/zinc/39/44/32/1064394432.db2.gz VOKXXXPIIBWYBX-PMACEKPBSA-N 2 0 479.500 4.903 20 0 JJADRP CC(C)C[C@@H](Cn1c(C2CCCC2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC001359770017 1064400920 /nfs/dbraw/zinc/40/09/20/1064400920.db2.gz YBKHWQHLWPVODP-DHLKQENFSA-N 2 0 452.691 4.623 20 0 JJADRP CC(C)C[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1)[NH+](C)C ZINC001359770282 1064402050 /nfs/dbraw/zinc/40/20/50/1064402050.db2.gz CGVQIWIWEWCBQT-VWLOTQADSA-N 2 0 487.136 4.953 20 0 JJADRP CC(C)Cc1nnc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001359777368 1064421282 /nfs/dbraw/zinc/42/12/82/1064421282.db2.gz HZOLPOWXPOFUPN-AZGAKELHSA-N 2 0 466.718 4.842 20 0 JJADRP CC(C)Cc1nnc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001359777366 1064421373 /nfs/dbraw/zinc/42/13/73/1064421373.db2.gz HZOLPOWXPOFUPN-AHWVRZQESA-N 2 0 466.718 4.842 20 0 JJADRP CC(C)Cc1nnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001359777789 1064422258 /nfs/dbraw/zinc/42/22/58/1064422258.db2.gz RCZVSUWVWFWXSI-UHFFFAOYSA-N 2 0 466.718 4.842 20 0 JJADRP CC(C)Cc1nnc(N2CC[C@H](C)[NH+](Cc3ccccc3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001359802480 1064470493 /nfs/dbraw/zinc/47/04/93/1064470493.db2.gz PEERANYGSQRZTI-DEOSSOPVSA-N 2 0 466.718 4.699 20 0 JJADRP CC(C)Cc1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001359807733 1064478106 /nfs/dbraw/zinc/47/81/06/1064478106.db2.gz BUIMHZMYWFURBI-HSZRJFAPSA-N 2 0 458.739 4.832 20 0 JJADRP CC(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001359833351 1064518372 /nfs/dbraw/zinc/51/83/72/1064518372.db2.gz WSBBHJYABOQACK-RPWUZVMVSA-N 2 0 458.739 4.545 20 0 JJADRP CC(C)Cc1nnc(N2CCC[NH+](Cc3ccc(F)cc3)CC2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001359841455 1064528485 /nfs/dbraw/zinc/52/84/85/1064528485.db2.gz OYFDKOABZALQFS-DEOSSOPVSA-N 2 0 484.708 4.983 20 0 JJADRP CC(C)Cc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001359859590 1064547874 /nfs/dbraw/zinc/54/78/74/1064547874.db2.gz AJUPEXZOHZWREH-CCDWMCETSA-N 2 0 480.745 4.944 20 0 JJADRP CC(C)Cc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001359860682 1064550119 /nfs/dbraw/zinc/55/01/19/1064550119.db2.gz KZGQOPPAUTXNMK-FMGHJNRGSA-N 2 0 466.718 4.698 20 0 JJADRP CC(C)Cc1nnc(N2CC[NH+](Cc3ccccc3)C[C@@H]2C)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001359861315 1064551439 /nfs/dbraw/zinc/55/14/39/1064551439.db2.gz RCFBIMVGLYNSFV-AHWVRZQESA-N 2 0 466.718 4.555 20 0 JJADRP CC(C)C[N@@H+]1CCC[C@@H](Cn2c(N3CC[C@@H]([NH+](C)Cc4ccccc4)C3)nnc2C(C)(C)C)C1 ZINC001360012814 1064811250 /nfs/dbraw/zinc/81/12/50/1064811250.db2.gz WSISUXOTCUTMEC-JWQCQUIFSA-N 2 0 466.718 4.654 20 0 JJADRP CC(C)C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001360014445 1064812816 /nfs/dbraw/zinc/81/28/16/1064812816.db2.gz KBBLGBBAKVMOEF-RUZDIDTESA-N 2 0 466.718 4.656 20 0 JJADRP CC(C)C[NH+]1CCN(c2nnc(CC(C)(C)C)n2CC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC001360028024 1064829357 /nfs/dbraw/zinc/82/93/57/1064829357.db2.gz VEECVAUKAMPGBF-UHFFFAOYSA-N 2 0 472.747 4.618 20 0 JJADRP CC(C)C[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001360029892 1064831917 /nfs/dbraw/zinc/83/19/17/1064831917.db2.gz BBQRXYYVRPOADN-UHFFFAOYSA-N 2 0 487.136 4.955 20 0 JJADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC001360032282 1064834593 /nfs/dbraw/zinc/83/45/93/1064834593.db2.gz LSTPTEBYXDDAFW-UHFFFAOYSA-N 2 0 451.561 4.801 20 0 JJADRP Cc1ccccc1C[NH+]1CCN(c2nnc(CC(C)C)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001492596886 1064901119 /nfs/dbraw/zinc/90/11/19/1064901119.db2.gz XASIUUZOTJLHMC-PLQXJYEYSA-N 2 0 480.745 4.865 20 0 JJADRP CC(C)[N@H+](C)Cc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001360092667 1064962742 /nfs/dbraw/zinc/96/27/42/1064962742.db2.gz NYWKADIDRPSZDW-VWLOTQADSA-N 2 0 466.718 4.820 20 0 JJADRP CC(C)[N@H+](C)CC1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCC[NH+](C(C)C)C2)CC1 ZINC001360096052 1064971661 /nfs/dbraw/zinc/97/16/61/1064971661.db2.gz VVZZJELNMVKXAJ-DEOSSOPVSA-N 2 0 472.747 4.607 20 0 JJADRP CC(C)[N@H+](C)CCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001360097844 1064976357 /nfs/dbraw/zinc/97/63/57/1064976357.db2.gz SAGHMKVAKPMQKM-UHFFFAOYSA-N 2 0 463.674 4.534 20 0 JJADRP CC(C)[N@H+](C)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001360097871 1064976414 /nfs/dbraw/zinc/97/64/14/1064976414.db2.gz SOBILNAGAVXMGY-UHFFFAOYSA-N 2 0 459.082 4.784 20 0 JJADRP CC(C)[NH+](C)CC1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001360100693 1064980121 /nfs/dbraw/zinc/98/01/21/1064980121.db2.gz SIHSSIUAOKGVIN-UHFFFAOYSA-N 2 0 465.690 4.713 20 0 JJADRP CC(C)[N@H+](C)CCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001360103524 1064983328 /nfs/dbraw/zinc/98/33/28/1064983328.db2.gz OOHVGJUHIZYTNM-UHFFFAOYSA-N 2 0 479.138 4.875 20 0 JJADRP CC(C)[NH+](CCCn1c(Cc2ccccc2F)nnc1N1CCC([NH+]2CCCCC2)CC1)C(C)C ZINC001360126485 1065020245 /nfs/dbraw/zinc/02/02/45/1065020245.db2.gz SHLQNKFLYJCURW-UHFFFAOYSA-N 2 0 484.708 4.972 20 0 JJADRP CC(C)[NH+](CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)C(C)C ZINC001360126389 1065020360 /nfs/dbraw/zinc/02/03/60/1065020360.db2.gz PSJVVYWBFFZPKL-DEOSSOPVSA-N 2 0 473.109 4.706 20 0 JJADRP CC(C)[NH+](CCCn1c(CCc2ccccc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)C(C)C ZINC001360126858 1065021238 /nfs/dbraw/zinc/02/12/38/1065021238.db2.gz XFOUPPOVTOFDKY-UHFFFAOYSA-N 2 0 468.734 4.883 20 0 JJADRP CC(C)[NH+](CCn1c(-c2ccccc2Cl)nnc1N1CC[C@H]([NH+]2CCCCC2)C1)C(C)C ZINC001360129608 1065025384 /nfs/dbraw/zinc/02/53/84/1065025384.db2.gz YEXBOVRAVLAJQO-NRFANRHFSA-N 2 0 459.082 4.782 20 0 JJADRP CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[NH+]2CCCC(C)(C)C2)CC1 ZINC001360143584 1065044382 /nfs/dbraw/zinc/04/43/82/1065044382.db2.gz ITZWXVUUVUJIGC-UHFFFAOYSA-N 2 0 477.072 4.780 20 0 JJADRP CC(C)[N@@H+]1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2CCC[NH+]2CCCC2)CC1 ZINC001360147110 1065049287 /nfs/dbraw/zinc/04/92/87/1065049287.db2.gz IJCHEXVUIYJURF-UHFFFAOYSA-N 2 0 477.122 4.630 20 0 JJADRP CC(C)[NH2+]C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[NH+](C(C)C)C(C)C)CC1 ZINC001360305316 1065139896 /nfs/dbraw/zinc/13/98/96/1065139896.db2.gz MYVWSAAASSHLSY-UHFFFAOYSA-N 2 0 494.526 4.511 20 0 JJADRP CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001360305470 1065140659 /nfs/dbraw/zinc/14/06/59/1065140659.db2.gz RFFLJKFAWMAVJY-UHFFFAOYSA-N 2 0 489.506 4.549 20 0 JJADRP CC(C)[NH2+]C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001360305518 1065140680 /nfs/dbraw/zinc/14/06/80/1065140680.db2.gz TWDGYDWBOFJDGJ-UHFFFAOYSA-N 2 0 459.082 4.687 20 0 JJADRP CC(C)[NH2+]C1CCN(c2nnc(Cc3ccsc3)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001360309667 1065145944 /nfs/dbraw/zinc/14/59/44/1065145944.db2.gz IFTBSLQBEXTLIU-OAQYLSRUSA-N 2 0 458.720 4.552 20 0 JJADRP C[C@@H](c1ccccc1F)N(C)c1nnc(CC(C)(C)C)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001360453338 1065348620 /nfs/dbraw/zinc/34/86/20/1065348620.db2.gz ZLOVSHODGJYLPD-QFIPXVFZSA-N 2 0 493.675 4.811 20 0 JJADRP C[C@H](CCn1c(CC(C)(C)C)nnc1N1CCC[N@H+](Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC001360510449 1065454430 /nfs/dbraw/zinc/45/44/30/1065454430.db2.gz KWVHVPXACZHARO-XMMPIXPASA-N 2 0 466.718 4.844 20 0 JJADRP C[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)[NH+](C)C1CC1 ZINC001360583376 1065580786 /nfs/dbraw/zinc/58/07/86/1065580786.db2.gz CDRVYHKTRRSSJL-QFIPXVFZSA-N 2 0 496.744 4.948 20 0 JJADRP C[NH+](C)CCCOc1cccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)c1 ZINC001360590041 1065594399 /nfs/dbraw/zinc/59/43/99/1065594399.db2.gz YGDXUZZRTQMLGC-JWQCQUIFSA-N 2 0 463.647 4.933 20 0 JJADRP C[C@@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)C[NH+]1CCCC1 ZINC001360592597 1065601866 /nfs/dbraw/zinc/60/18/66/1065601866.db2.gz YORYFIGTYJSXDU-FGZHOGPDSA-N 2 0 486.680 4.600 20 0 JJADRP C[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)C[NH+]1CCCCC1 ZINC001360598390 1065617410 /nfs/dbraw/zinc/61/74/10/1065617410.db2.gz ANGGBUXBZUPPFS-JOCHJYFZSA-N 2 0 487.136 4.955 20 0 JJADRP CC(C)[N@@H+]1CCCN(c2nnc(Cc3ccsc3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001360645387 1065720431 /nfs/dbraw/zinc/72/04/31/1065720431.db2.gz IJVUVXDMTLLAKP-JOCHJYFZSA-N 2 0 480.726 4.980 20 0 JJADRP C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1C[C@H](C)[NH+](C)C ZINC001360743873 1065780334 /nfs/dbraw/zinc/78/03/34/1065780334.db2.gz LAGZZVGJELFXNS-FCHUYYIVSA-N 2 0 486.680 4.600 20 0 JJADRP Cc1nc(-c2ccccc2)sc1-c1nnc(N2CC[NH+](CC(C)C)CC2)n1CCC[N@H+](C)C(C)C ZINC001360910440 1066066485 /nfs/dbraw/zinc/06/64/85/1066066485.db2.gz GOYGYNUVDNWQMM-UHFFFAOYSA-N 2 0 495.741 4.885 20 0 JJADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)C1 ZINC001442262490 1066109433 /nfs/dbraw/zinc/10/94/33/1066109433.db2.gz XCESGAXZLOQMJR-BMOHHQGPSA-N 2 0 461.694 4.949 20 0 JJADRP Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)n2CC[N@@H+](C)C(C)C)c1 ZINC001361032624 1066246971 /nfs/dbraw/zinc/24/69/71/1066246971.db2.gz STXVAJDYMREOKG-SANMLTNESA-N 2 0 496.744 4.762 20 0 JJADRP Cc1cc(C)cc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC[NH+]2CCCC(C)(C)C2)c1 ZINC001361034999 1066252412 /nfs/dbraw/zinc/25/24/12/1066252412.db2.gz MEWFKVHIXXAOFX-UHFFFAOYSA-N 2 0 482.717 4.516 20 0 JJADRP C[NH+](C)C[C@@H]1CN(C(=O)c2oc3ccccc3c2CSCc2ccccc2)C[C@H]1C[NH+](C)C ZINC001454699107 1066322157 /nfs/dbraw/zinc/32/21/57/1066322157.db2.gz IROJHICRXPNCPG-FGZHOGPDSA-N 2 0 465.663 4.678 20 0 JJADRP CC[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[N@@H+](C(C)C)CC1)[NH+]1CCCC1 ZINC001545961207 1066351617 /nfs/dbraw/zinc/35/16/17/1066351617.db2.gz QUCSMLQPJCVTEA-JOCHJYFZSA-N 2 0 489.506 4.503 20 0 JJADRP Cc1ccc(C)c(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H](c2cccs2)[NH+](C)C)c1 ZINC001361154727 1066451816 /nfs/dbraw/zinc/45/18/16/1066451816.db2.gz FNPIDXWPUVHPFM-QHCPKHFHSA-N 2 0 496.725 4.805 20 0 JJADRP Cc1ccc(C)c(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC(C)(C)C[NH+]2CCCC2)c1 ZINC001361155191 1066453079 /nfs/dbraw/zinc/45/30/79/1066453079.db2.gz OJCFBMFZBKBHSJ-UHFFFAOYSA-N 2 0 482.717 4.563 20 0 JJADRP Cc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)o1 ZINC001361220698 1066558067 /nfs/dbraw/zinc/55/80/67/1066558067.db2.gz AEWVUDSPLZZJRZ-NRFANRHFSA-N 2 0 464.658 4.896 20 0 JJADRP Cc1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001492847280 1066957801 /nfs/dbraw/zinc/95/78/01/1066957801.db2.gz JHWUMIFHQZXGKD-UPVQGACJSA-N 2 0 452.691 4.808 20 0 JJADRP CC[C@H](c1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1CCCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC001545758288 1067036600 /nfs/dbraw/zinc/03/66/00/1067036600.db2.gz DMCONNLBRXEONK-AHWVRZQESA-N 2 0 466.718 4.863 20 0 JJADRP CC[C@@H](c1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1CC1([NH+](C)C)CCCCC1)c1ccccc1 ZINC001545758413 1067037279 /nfs/dbraw/zinc/03/72/79/1067037279.db2.gz GSTSANMXHYERRQ-LADGPHEKSA-N 2 0 452.691 4.615 20 0 JJADRP CCC(CC)[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CC[N@H+](CC)[C@H](C)C1)[NH+](C)C ZINC001545805014 1067118295 /nfs/dbraw/zinc/11/82/95/1067118295.db2.gz GKVOLMLBPARXRG-GCJKJVERSA-N 2 0 491.522 4.604 20 0 JJADRP CCC(CC)[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)[NH+](C)C ZINC001545817734 1067151112 /nfs/dbraw/zinc/15/11/12/1067151112.db2.gz ORZBSVWFCXNFIN-RPBOFIJWSA-N 2 0 487.136 4.953 20 0 JJADRP CCC(CC)[C@@H](Cn1c(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nnc1C(C)(C)C)[NH+](C)C ZINC001545820521 1067159973 /nfs/dbraw/zinc/15/99/73/1067159973.db2.gz YXJHXMGQTVLGOA-BJKOFHAPSA-N 2 0 454.707 4.653 20 0 JJADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001459609473 1067362582 /nfs/dbraw/zinc/36/25/82/1067362582.db2.gz MPQQSNBQSWICFK-MBSDFSHPSA-N 2 0 451.438 4.734 20 0 JJADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)CCc3cc(Cl)c4c(c3)OCCCO4)cc2)C[C@H](C)O1 ZINC001460319291 1067606804 /nfs/dbraw/zinc/60/68/04/1067606804.db2.gz VLBDGRMHZLSOAX-BGYRXZFFSA-N 2 0 459.030 4.785 20 0 JJADRP CSc1ccc(OC[C@@H](O)C[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001460538446 1067653219 /nfs/dbraw/zinc/65/32/19/1067653219.db2.gz CLAVRXOWCYNORN-OZXSUGGESA-N 2 0 454.680 4.771 20 0 JJADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2cc(Cl)ccc2OC2CCCC2)cc1 ZINC001461230750 1067804871 /nfs/dbraw/zinc/80/48/71/1067804871.db2.gz HOWVWUWWLPMEHR-UHFFFAOYSA-N 2 0 456.030 4.777 20 0 JJADRP CN(c1ccccc1C[NH2+]Cc1ccc(C(=O)OCc2ccccc2)cc1)C1CC[NH+](C)CC1 ZINC001461552955 1067887089 /nfs/dbraw/zinc/88/70/89/1067887089.db2.gz QMHUTSVMJXDQPH-UHFFFAOYSA-N 2 0 457.618 4.864 20 0 JJADRP COc1ccc(C[C@@](C)(O)C[NH2+]C[C@@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC001462312002 1068048766 /nfs/dbraw/zinc/04/87/66/1068048766.db2.gz ZFHKUWUZEHKJIS-IZLXSDGUSA-N 2 0 454.655 4.525 20 0 JJADRP COc1ccc(C[C@](C)(O)C[NH2+]C[C@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC001462312014 1068049167 /nfs/dbraw/zinc/04/91/67/1068049167.db2.gz ZFHKUWUZEHKJIS-WUFINQPMSA-N 2 0 454.655 4.525 20 0 JJADRP COc1ccc(C[C@](C)(O)C[NH2+]C[C@@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC001462312005 1068049294 /nfs/dbraw/zinc/04/92/94/1068049294.db2.gz ZFHKUWUZEHKJIS-NSOVKSMOSA-N 2 0 454.655 4.525 20 0 JJADRP O=C(CC[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC001464359002 1068718253 /nfs/dbraw/zinc/71/82/53/1068718253.db2.gz IKEUULNGPINHAT-UHFFFAOYSA-N 2 0 455.046 4.519 20 0 JJADRP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CC[NH+](C(C)(C)c3ccnc(Cl)c3)CC2)c2ccccc21 ZINC001164685566 719683849 /nfs/dbraw/zinc/68/38/49/719683849.db2.gz LDZQXGOJZAIUCB-HXUWFJFHSA-N 2 0 469.073 4.559 20 0 JJADRP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164707757 719908589 /nfs/dbraw/zinc/90/85/89/719908589.db2.gz XNCZFDUFBXORQK-UHFFFAOYSA-N 2 0 495.039 4.590 20 0 JJADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]c(N3CCCC3)cc3ccccc31)CC2 ZINC001164714863 720144688 /nfs/dbraw/zinc/14/46/88/720144688.db2.gz ZXRKIFJOYHYXOX-RUZDIDTESA-N 2 0 471.649 4.738 20 0 JJADRP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@@H](COC)[NH+](Cc4ccccn4)C3)CC2)nc1 ZINC001164713548 720153391 /nfs/dbraw/zinc/15/33/91/720153391.db2.gz RUPZJRKSXLIVPG-UIOOFZCWSA-N 2 0 463.670 4.531 20 0 JJADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)C[NH+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164747910 720931662 /nfs/dbraw/zinc/93/16/62/720931662.db2.gz DQNSWQPSAQYXNJ-MUPNOLHXSA-N 2 0 489.708 4.779 20 0 JJADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@@H](COCC4CC4)[NH+](CCOC)C3)CC2)nc1 ZINC001164791262 721471717 /nfs/dbraw/zinc/47/17/17/721471717.db2.gz WETIEQRDGPPDHB-SVBPBHIXSA-N 2 0 484.729 4.753 20 0 JJADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)c2)CC1 ZINC001165049911 721979821 /nfs/dbraw/zinc/97/98/21/721979821.db2.gz OCAZETVMYAMFOX-UHFFFAOYSA-N 2 0 451.489 4.501 20 0 JJADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)COCC[NH+](Cc2ccncc2)C3)nc1 ZINC001164963723 722062110 /nfs/dbraw/zinc/06/21/10/722062110.db2.gz CKFHCRSEBUMASD-SANMLTNESA-N 2 0 463.670 4.533 20 0 JJADRP CCC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)cc2Cl)CC1 ZINC001434880231 1064312401 /nfs/dbraw/zinc/31/24/01/1064312401.db2.gz DRKDWEKYUNBVEU-QFIPXVFZSA-N 2 0 455.046 4.723 20 0 JJADRP CC(C)C[C@H](Cn1c(-c2cc3ccccc3o2)nnc1N1CC[NH+](C(C)(C)C)CC1)[NH+](C)C ZINC001359766698 1064393520 /nfs/dbraw/zinc/39/35/20/1064393520.db2.gz SEONHKQWXWLGOC-OAQYLSRUSA-N 2 0 452.647 4.588 20 0 JJADRP CC(C)C[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+](C)C ZINC001359766838 1064394525 /nfs/dbraw/zinc/39/45/25/1064394525.db2.gz VOKXXXPIIBWYBX-WOJBJXKFSA-N 2 0 479.500 4.903 20 0 JJADRP CC(C)C[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](CC2CC2)CC1)[NH+](C)C ZINC001359766878 1064395083 /nfs/dbraw/zinc/39/50/83/1064395083.db2.gz WOUMIWAVRJMZLQ-VWLOTQADSA-N 2 0 466.718 4.751 20 0 JJADRP CC(C)Cc1nnc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1C[C@H]1[NH+](C)CCCC1(C)C ZINC001359778080 1064422836 /nfs/dbraw/zinc/42/28/36/1064422836.db2.gz YJFNYFNICMTVNJ-LOSJGSFVSA-N 2 0 466.718 4.698 20 0 JJADRP CC(C)Cc1nnc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1C[C@H]1[NH+](C)CCCC1(C)C ZINC001359778079 1064422938 /nfs/dbraw/zinc/42/29/38/1064422938.db2.gz YJFNYFNICMTVNJ-JWQCQUIFSA-N 2 0 466.718 4.698 20 0 JJADRP CC(C)Cc1nnc(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001359784290 1064436976 /nfs/dbraw/zinc/43/69/76/1064436976.db2.gz XJVMEYITPIWGSR-RUZDIDTESA-N 2 0 466.718 4.699 20 0 JJADRP CC(C)Cc1nnc(N2CC[C@H](C)[NH+](Cc3ccccc3)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001359802803 1064471402 /nfs/dbraw/zinc/47/14/02/1064471402.db2.gz WGIYDUGOFIGUDO-UKILVPOCSA-N 2 0 466.718 4.698 20 0 JJADRP CC(C)Cc1nnc(N2CC[C@@H](C)[NH+](Cc3ccccc3)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001359802801 1064471478 /nfs/dbraw/zinc/47/14/78/1064471478.db2.gz WGIYDUGOFIGUDO-ILBGXUMGSA-N 2 0 466.718 4.698 20 0 JJADRP CC(C)Cc1nnc(N2CC[NH+](Cc3ccccc3)C[C@H]2C)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359859591 1064547782 /nfs/dbraw/zinc/54/77/82/1064547782.db2.gz AJUPEXZOHZWREH-DSNGMDLFSA-N 2 0 480.745 4.944 20 0 JJADRP CC(C)C[NH+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001360015778 1064814677 /nfs/dbraw/zinc/81/46/77/1064814677.db2.gz SMHNLXVSBAGTBP-DHIUTWEWSA-N 2 0 486.680 4.600 20 0 JJADRP CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[NH+]2CCCC(C)(C)C2)CC1 ZINC001360092296 1064960866 /nfs/dbraw/zinc/96/08/66/1064960866.db2.gz AFLVGQGXEPVPAW-UHFFFAOYSA-N 2 0 488.124 4.672 20 0 JJADRP CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cccnc3)n2CCCC[NH+]2CCCC[C@H]2C)CC1 ZINC001360094990 1064967730 /nfs/dbraw/zinc/96/77/30/1064967730.db2.gz SBMWIBHXINUXLY-HSZRJFAPSA-N 2 0 467.706 4.551 20 0 JJADRP CC(C)[N@H+](C)CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001360095890 1064971500 /nfs/dbraw/zinc/97/15/00/1064971500.db2.gz SQXAIPWCJQHVAB-UHFFFAOYSA-N 2 0 475.125 4.667 20 0 JJADRP CC(C)[N@H+](C)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001360104268 1064985706 /nfs/dbraw/zinc/98/57/06/1064985706.db2.gz OVOKPLPEBUJTRT-UHFFFAOYSA-N 2 0 458.720 4.536 20 0 JJADRP CC(C)[NH+](CCCn1c(-c2cccnc2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1)C(C)C ZINC001360125635 1065018373 /nfs/dbraw/zinc/01/83/73/1065018373.db2.gz QQSCNCHGOUTCRG-UHFFFAOYSA-N 2 0 493.675 4.700 20 0 JJADRP CC(C)[NH+](CCCn1c(-c2ccccc2F)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1)C(C)C ZINC001360125893 1065018840 /nfs/dbraw/zinc/01/88/40/1065018840.db2.gz YQFGNWRQQVJGQW-JOCHJYFZSA-N 2 0 456.654 4.658 20 0 JJADRP CC(C)[NH+](CCCn1c(Cc2ccccc2F)nnc1N1CCC[N@@H+](C2CCCC2)CC1)C(C)C ZINC001360126047 1065019364 /nfs/dbraw/zinc/01/93/64/1065019364.db2.gz FALCTHVLZCTFTO-UHFFFAOYSA-N 2 0 484.708 4.972 20 0 JJADRP CC(C)[N@@H+]1CCCN(c2nnc(CCCc3ccccc3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001360147448 1065050244 /nfs/dbraw/zinc/05/02/44/1065050244.db2.gz WPUZRBJUONYDPL-HHHXNRCGSA-N 2 0 480.745 4.884 20 0 JJADRP CC(C)[NH+]1CCN(c2nnc(-c3ccccc3Br)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001360150084 1065053602 /nfs/dbraw/zinc/05/36/02/1065053602.db2.gz PEFXBZLQQXTYER-FQEVSTJZSA-N 2 0 489.506 4.503 20 0 JJADRP CC(C)[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC001360152434 1065055783 /nfs/dbraw/zinc/05/57/83/1065055783.db2.gz LEDXIMBRAWDANM-NFBKMPQASA-N 2 0 458.720 4.542 20 0 JJADRP CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001360233732 1065093329 /nfs/dbraw/zinc/09/33/29/1065093329.db2.gz PSWKKQLBBIIURM-CAKYRVLISA-N 2 0 480.672 4.549 20 0 JJADRP CC(C)[NH2+]C1CCN(c2nnc(-c3ccccc3Cl)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001360307254 1065142710 /nfs/dbraw/zinc/14/27/10/1065142710.db2.gz SGEMWSJAOYLFQP-HXUWFJFHSA-N 2 0 459.082 4.830 20 0 JJADRP C[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001360537151 1065520522 /nfs/dbraw/zinc/52/05/22/1065520522.db2.gz XUYNBVKNUKRAKQ-LJQANCHMSA-N 2 0 459.082 4.639 20 0 JJADRP CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001360597176 1065612848 /nfs/dbraw/zinc/61/28/48/1065612848.db2.gz MKKAKMCOKSELJM-OAQYLSRUSA-N 2 0 459.082 4.641 20 0 JJADRP CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001360597175 1065612981 /nfs/dbraw/zinc/61/29/81/1065612981.db2.gz MKKAKMCOKSELJM-NRFANRHFSA-N 2 0 459.082 4.641 20 0 JJADRP C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C(C)(C)C)CC1)C[NH+]1CCCCC1 ZINC001360598290 1065617625 /nfs/dbraw/zinc/61/76/25/1065617625.db2.gz WJGWEBKXINPNLX-IBGZPJMESA-N 2 0 477.072 4.780 20 0 JJADRP C[C@H](Cn1c(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)nnc1C(C)(C)C)C[NH+]1CCCCC1 ZINC001360603653 1065628668 /nfs/dbraw/zinc/62/86/68/1065628668.db2.gz WHUKVTUOWWTLFG-ZEQRLZLVSA-N 2 0 466.718 4.798 20 0 JJADRP C[C@H](Cn1c(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)nnc1C(C)(C)C)C[NH+]1CCCCC1 ZINC001360603647 1065628790 /nfs/dbraw/zinc/62/87/90/1065628790.db2.gz WHUKVTUOWWTLFG-BJKOFHAPSA-N 2 0 466.718 4.798 20 0 JJADRP CC(C)[N@H+](C)CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCC2)CC1 ZINC001360769510 1065861885 /nfs/dbraw/zinc/86/18/85/1065861885.db2.gz JSBRLQXGDFYEDS-NRFANRHFSA-N 2 0 486.680 4.598 20 0 JJADRP CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCC2)CC1 ZINC001360769511 1065862006 /nfs/dbraw/zinc/86/20/06/1065862006.db2.gz JSBRLQXGDFYEDS-OAQYLSRUSA-N 2 0 486.680 4.598 20 0 JJADRP COc1ccccc1[C@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CC(C)C)[NH+]1CCCC1 ZINC001440386197 1065935993 /nfs/dbraw/zinc/93/59/93/1065935993.db2.gz JIIQFBAHSALKNM-IEUSDUHPSA-N 2 0 463.666 4.743 20 0 JJADRP CCc1ccc([C@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)[NH+](C)C)cc1 ZINC001440672021 1065961661 /nfs/dbraw/zinc/96/16/61/1065961661.db2.gz LLFWBRNAAKHASJ-CYXNTTPDSA-N 2 0 461.675 4.945 20 0 JJADRP Cc1cccc(O[C@H](C)c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC[N@H+](C)C2CCCC2)c1C ZINC001360875052 1066016525 /nfs/dbraw/zinc/01/65/25/1066016525.db2.gz XFEHNXGGUQRUMO-HSZRJFAPSA-N 2 0 482.717 4.876 20 0 JJADRP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC001360996407 1066175147 /nfs/dbraw/zinc/17/51/47/1066175147.db2.gz JEUCDAZUHSUIAY-TYBLODHISA-N 2 0 455.668 4.814 20 0 JJADRP CC1(C)C[N@H+](Cc2ccccc2)C(C)(C)CN1C(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC001454116256 1066247074 /nfs/dbraw/zinc/24/70/74/1066247074.db2.gz ITFFVJLUEFMWMW-DEOSSOPVSA-N 2 0 451.630 4.939 20 0 JJADRP Cc1cc(C)cc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC001361034966 1066251763 /nfs/dbraw/zinc/25/17/63/1066251763.db2.gz LEOCNAWSWYGWEC-VWLOTQADSA-N 2 0 482.717 4.515 20 0 JJADRP CC[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](C(C)C)CC1)[NH+]1CCCC1 ZINC001545962852 1066376564 /nfs/dbraw/zinc/37/65/64/1066376564.db2.gz LIKZZCCYTQUUSI-XMMPIXPASA-N 2 0 452.691 4.647 20 0 JJADRP Cc1ccc(C(C)C)c(OCc2nnc(N3CC[NH+]4CCCC[C@H]4C3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001361131113 1066397557 /nfs/dbraw/zinc/39/75/57/1066397557.db2.gz YNTBJEQCWOOGQD-DEOSSOPVSA-N 2 0 482.717 4.694 20 0 JJADRP Cc1ccc(C(C)C)c(OCc2nnc(N3CC[NH+]4CCCC[C@@H]4C3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001361131114 1066397657 /nfs/dbraw/zinc/39/76/57/1066397657.db2.gz YNTBJEQCWOOGQD-XMMPIXPASA-N 2 0 482.717 4.694 20 0 JJADRP Cc1ccc([C@H](Cn2c(CC3CCCC3)nnc2N2CCC([NH2+]C(C)C)CC2)[NH+](C)C)cc1 ZINC001361141857 1066422691 /nfs/dbraw/zinc/42/26/91/1066422691.db2.gz RNFZCJAQFNFPSB-VWLOTQADSA-N 2 0 452.691 4.589 20 0 JJADRP Cc1ccc(C)c(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H](c2cccs2)[NH+](C)C)c1 ZINC001361154726 1066451609 /nfs/dbraw/zinc/45/16/09/1066451609.db2.gz FNPIDXWPUVHPFM-HSZRJFAPSA-N 2 0 496.725 4.805 20 0 JJADRP Cc1ccc(C)c(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC[N@@H+]2CCCC(C)(C)C2)c1 ZINC001361160398 1066466575 /nfs/dbraw/zinc/46/65/75/1066466575.db2.gz YSXLSNKRISPFLN-UHFFFAOYSA-N 2 0 482.717 4.516 20 0 JJADRP Cc1ccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@@H](c2ccccc2)[NH+](C)C)o1 ZINC001361205063 1066535884 /nfs/dbraw/zinc/53/58/84/1066535884.db2.gz BJGGSJJVIAKXIY-DEOSSOPVSA-N 2 0 464.658 4.706 20 0 JJADRP CC[C@@H](Cn1c(CC(C)C)nnc1N1CCC([NH+](CC)CC)CC1)[N@@H+]1CCc2ccccc2C1 ZINC001545995431 1066805685 /nfs/dbraw/zinc/80/56/85/1066805685.db2.gz SBYQNJWMOCZIQH-VWLOTQADSA-N 2 0 466.718 4.624 20 0 JJADRP C[NH+](C)[C@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1cccc(C(F)(F)F)c1 ZINC001448059175 1066894751 /nfs/dbraw/zinc/89/47/51/1066894751.db2.gz BZFZQDAEIYVSHB-DHIUTWEWSA-N 2 0 459.556 4.727 20 0 JJADRP Cc1nnc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001492805128 1066954248 /nfs/dbraw/zinc/95/42/48/1066954248.db2.gz ZVQHAHANNDWRAU-CJFMBICVSA-N 2 0 456.654 4.509 20 0 JJADRP CC[C@@H](c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1C[C@H](CC(C)C)[NH+](C)C)c1ccccc1 ZINC001545732246 1066993755 /nfs/dbraw/zinc/99/37/55/1066993755.db2.gz ZMMNUMNKHMKQMW-OPBMBUAESA-N 2 0 454.707 4.715 20 0 JJADRP CC[C@H](Cn1c(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001546014392 1067009921 /nfs/dbraw/zinc/00/99/21/1067009921.db2.gz HXMZYSLMPLFVEU-LADGPHEKSA-N 2 0 458.739 4.931 20 0 JJADRP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)CC1 ZINC001449578693 1067015632 /nfs/dbraw/zinc/01/56/32/1067015632.db2.gz WDKIDDIERZRSGB-IZZNHLLZSA-N 2 0 462.682 4.656 20 0 JJADRP CC[C@@H](c1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC001545752367 1067027629 /nfs/dbraw/zinc/02/76/29/1067027629.db2.gz WCFIZMYLNGRKLD-KYPHJKQUSA-N 2 0 466.718 4.861 20 0 JJADRP CC[C@H](c1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1CC1([NH+](C)C)CCCCC1)c1ccccc1 ZINC001545758414 1067037325 /nfs/dbraw/zinc/03/73/25/1067037325.db2.gz GSTSANMXHYERRQ-UPVQGACJSA-N 2 0 452.691 4.615 20 0 JJADRP CCC(CC)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)[NH+](C)C ZINC001545805774 1067121546 /nfs/dbraw/zinc/12/15/46/1067121546.db2.gz RWSXWSPKZCDTNC-GOTSBHOMSA-N 2 0 459.082 4.639 20 0 JJADRP CCC(CC)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+](C)C ZINC001545805773 1067121708 /nfs/dbraw/zinc/12/17/08/1067121708.db2.gz RWSXWSPKZCDTNC-DHIUTWEWSA-N 2 0 459.082 4.639 20 0 JJADRP CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C(C)C)CC1)[NH+](C)C ZINC001545808336 1067133547 /nfs/dbraw/zinc/13/35/47/1067133547.db2.gz WVRUBXBDXNBRGS-QFIPXVFZSA-N 2 0 465.061 4.634 20 0 JJADRP CCC(CC)[C@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[N@@H+](C(C)C)CC1)[NH+](C)C ZINC001545809627 1067136261 /nfs/dbraw/zinc/13/62/61/1067136261.db2.gz HRHFVROUHZQATA-SANMLTNESA-N 2 0 479.717 4.724 20 0 JJADRP CCC(CC)[C@@H](Cn1c(C2CCCC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001545815740 1067145067 /nfs/dbraw/zinc/14/50/67/1067145067.db2.gz UVYNZRXXDNDUIL-RUZDIDTESA-N 2 0 488.765 4.631 20 0 JJADRP CCC(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[NH+](Cc2ccccc2C)CC1)[NH+](C)C ZINC001545817597 1067150491 /nfs/dbraw/zinc/15/04/91/1067150491.db2.gz MCCVJRHKMGVKIM-RUZDIDTESA-N 2 0 468.734 4.864 20 0 JJADRP CCC(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[NH+](Cc2ccccc2C)CC1)[NH+](C)C ZINC001545817598 1067150530 /nfs/dbraw/zinc/15/05/30/1067150530.db2.gz MCCVJRHKMGVKIM-VWLOTQADSA-N 2 0 468.734 4.864 20 0 JJADRP CCC(CC)[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)[NH+](C)C ZINC001545817731 1067151170 /nfs/dbraw/zinc/15/11/70/1067151170.db2.gz ORZBSVWFCXNFIN-DQEYMECFSA-N 2 0 487.136 4.953 20 0 JJADRP CCC(CC)[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)[NH+](C)C ZINC001545817732 1067151240 /nfs/dbraw/zinc/15/12/40/1067151240.db2.gz ORZBSVWFCXNFIN-JWQCQUIFSA-N 2 0 487.136 4.953 20 0 JJADRP CCC(CC)[C@@H](Cn1c(CC2CCCC2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)[NH+](C)C ZINC001545819421 1067154276 /nfs/dbraw/zinc/15/42/76/1067154276.db2.gz FLTLWNDCIUBKIY-PXDATVDWSA-N 2 0 458.739 4.688 20 0 JJADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCC2(F)F)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001452769578 1067250832 /nfs/dbraw/zinc/25/08/32/1067250832.db2.gz JFGSUEPBQZHDDA-WTEVXDJOSA-N 2 0 455.593 4.654 20 0 JJADRP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001459668522 1067377353 /nfs/dbraw/zinc/37/73/53/1067377353.db2.gz HMSZZOBXECLLPW-OAQYLSRUSA-N 2 0 451.659 4.794 20 0 JJADRP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CC[C@H](c4cccc(Cl)c4)C3(C)C)cc2)CC1 ZINC001460723786 1067709701 /nfs/dbraw/zinc/70/97/01/1067709701.db2.gz FCEULAWDJXRMFB-XMMPIXPASA-N 2 0 455.046 4.689 20 0 JJADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1 ZINC001461003992 1067760889 /nfs/dbraw/zinc/76/08/89/1067760889.db2.gz DCEKJFGZADCRSO-HSZRJFAPSA-N 2 0 455.643 4.969 20 0 JJADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNCc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)C1 ZINC001461048527 1067769289 /nfs/dbraw/zinc/76/92/89/1067769289.db2.gz KTFNTCXKKBAXAK-OALUTQOASA-N 2 0 459.581 4.837 20 0 JJADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001461051647 1067770045 /nfs/dbraw/zinc/77/00/45/1067770045.db2.gz YWYGGFYSEABCIF-OALUTQOASA-N 2 0 450.579 4.996 20 0 JJADRP C[C@H](Cc1cc(Br)ccc1F)[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC001461365685 1067839229 /nfs/dbraw/zinc/83/92/29/1067839229.db2.gz SWTXRMPNCSPLEZ-OAHLLOKOSA-N 2 0 454.815 4.714 20 0 JJADRP Ic1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC001461382484 1067843420 /nfs/dbraw/zinc/84/34/20/1067843420.db2.gz NKEMKAZPBPNCDM-NZSAHSFTSA-N 2 0 452.405 4.743 20 0 JJADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CCC(C)(C)CN2C(=O)OC(C)(C)C)CC1 ZINC001461691868 1067919200 /nfs/dbraw/zinc/91/92/00/1067919200.db2.gz KSOVYBWSZOCZFE-QHCPKHFHSA-N 2 0 458.691 4.734 20 0 JJADRP CC(C)(C)OC(=O)N[C@@H](C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)CC(F)(F)F ZINC001461965165 1067970380 /nfs/dbraw/zinc/97/03/80/1067970380.db2.gz NRBALPUUFWCLNR-HXUWFJFHSA-N 2 0 455.565 4.820 20 0 JJADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(OC)cc1)c1ccccc1 ZINC001462102485 1068003431 /nfs/dbraw/zinc/00/34/31/1068003431.db2.gz BMXVVQCGAGEAFW-ZGIBFIJWSA-N 2 0 471.645 4.863 20 0 JJADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)CC1 ZINC001462110851 1068006427 /nfs/dbraw/zinc/00/64/27/1068006427.db2.gz NMNDWPFWGFMDHC-WZONZLPQSA-N 2 0 451.577 4.943 20 0 JJADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)CC1 ZINC001462110837 1068006443 /nfs/dbraw/zinc/00/64/43/1068006443.db2.gz NMNDWPFWGFMDHC-JPYJTQIMSA-N 2 0 451.577 4.943 20 0 JJADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(N([C@H]2CCC23CC[NH2+]CC3)S(=O)(=O)c2ccccc2)nc1 ZINC001164688592 719592611 /nfs/dbraw/zinc/59/26/11/719592611.db2.gz YBDTXBMVNUFRJN-DQEYMECFSA-N 2 0 482.694 4.746 20 0 JJADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3c(n1)CC[NH+](Cc1ccccc1)C3)CC2 ZINC001164719496 720108578 /nfs/dbraw/zinc/10/85/78/720108578.db2.gz XNIGZZRYXSOAAF-MUUNZHRXSA-N 2 0 497.687 4.542 20 0 JJADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)C[NH+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164747913 720931242 /nfs/dbraw/zinc/93/12/42/720931242.db2.gz DQNSWQPSAQYXNJ-PKZQBKLLSA-N 2 0 489.708 4.779 20 0 JJADRP Cc1cccc(N(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164777412 721329887 /nfs/dbraw/zinc/32/98/87/721329887.db2.gz MZTLFIAWPOVMNI-UHSQPCAPSA-N 2 0 454.618 4.607 20 0 JJADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C2)COCC[NH+](Cc2c(C)noc2C)C3)nc1 ZINC001164785321 721373121 /nfs/dbraw/zinc/37/31/21/721373121.db2.gz RBZKOJGFYSIZKZ-IAPPQJPRSA-N 2 0 481.685 4.742 20 0 JJADRP FC1(F)CCN(c2ccc3c(n2)CC[NH+](Cc2ccccc2)C3)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906124 721696710 /nfs/dbraw/zinc/69/67/10/721696710.db2.gz LQOJYUVBRSIVHS-MUUNZHRXSA-N 2 0 489.614 4.773 20 0 JJADRP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)nc1 ZINC001164913811 721734172 /nfs/dbraw/zinc/73/41/72/721734172.db2.gz XYJGWNNNEDCRHG-ZCYQVOJMSA-N 2 0 455.597 4.761 20 0 JJADRP CC(C)C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC001359770924 1064402856 /nfs/dbraw/zinc/40/28/56/1064402856.db2.gz NMJAXLSMFBTDNE-UPVQGACJSA-N 2 0 454.707 4.554 20 0 JJADRP CC(C)Cc1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001359833349 1064518504 /nfs/dbraw/zinc/51/85/04/1064518504.db2.gz WSBBHJYABOQACK-BJKOFHAPSA-N 2 0 458.739 4.545 20 0 JJADRP CC(C)Cc1nnc(N2CCC[NH+](Cc3ccc(F)cc3)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001359841456 1064528385 /nfs/dbraw/zinc/52/83/85/1064528385.db2.gz OYFDKOABZALQFS-XMMPIXPASA-N 2 0 484.708 4.983 20 0 JJADRP CC(C)Cc1nnc(N2CC[NH+](Cc3ccccc3)C[C@@H]2C)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001359861317 1064551175 /nfs/dbraw/zinc/55/11/75/1064551175.db2.gz RCFBIMVGLYNSFV-AZGAKELHSA-N 2 0 466.718 4.555 20 0 JJADRP CC(C)CC[NH+]1CCC(Cn2c(C(C)C)nnc2N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC001359947515 1064696564 /nfs/dbraw/zinc/69/65/64/1064696564.db2.gz NKUAWIRCYCTVSK-DEOSSOPVSA-N 2 0 466.718 4.870 20 0 JJADRP CC(C)C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001360014446 1064813042 /nfs/dbraw/zinc/81/30/42/1064813042.db2.gz KBBLGBBAKVMOEF-VWLOTQADSA-N 2 0 466.718 4.656 20 0 JJADRP CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccccc3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001360092661 1064962849 /nfs/dbraw/zinc/96/28/49/1064962849.db2.gz NSSCXEBMKYUROV-HSZRJFAPSA-N 2 0 452.691 4.766 20 0 JJADRP CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccccc3)n2C[C@H]2[NH+](C)CCCC2(C)C)CC1 ZINC001360092776 1064963634 /nfs/dbraw/zinc/96/36/34/1064963634.db2.gz SFXFBWNYPFVMKS-XMMPIXPASA-N 2 0 452.691 4.622 20 0 JJADRP CC(C)[N@H+](C)CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[NH+]2CCCC(C)(C)C2)CC1 ZINC001360095224 1064968144 /nfs/dbraw/zinc/96/81/44/1064968144.db2.gz AZKGZKKCQXKOAE-UHFFFAOYSA-N 2 0 484.708 4.687 20 0 JJADRP CC(C)[N@H+](C)CC1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)[NH+]2CCc3ccccc3C2)CC1 ZINC001360095694 1064971036 /nfs/dbraw/zinc/97/10/36/1064971036.db2.gz OPLDXRBHLCXHLX-QHCPKHFHSA-N 2 0 480.745 4.870 20 0 JJADRP CC(C)[N@H+](C)CCCn1c([C@H]2CCCCO2)nnc1N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1 ZINC001360100080 1064979517 /nfs/dbraw/zinc/97/95/17/1064979517.db2.gz GOZSSVNDDBBZCO-UKILVPOCSA-N 2 0 474.738 4.731 20 0 JJADRP CC(C)[N@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001360106628 1064988063 /nfs/dbraw/zinc/98/80/63/1064988063.db2.gz KQVSOIGURJWPPK-UHFFFAOYSA-N 2 0 467.489 4.903 20 0 JJADRP CC(C)[N@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001360106710 1064988203 /nfs/dbraw/zinc/98/82/03/1064988203.db2.gz NWTLTSRHABHTAB-UHFFFAOYSA-N 2 0 463.045 4.533 20 0 JJADRP CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3ccc(Cl)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001360138816 1065034670 /nfs/dbraw/zinc/03/46/70/1065034670.db2.gz KFCSOBSYZWQAAR-FQEVSTJZSA-N 2 0 459.082 4.639 20 0 JJADRP CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3ccccc3Cl)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001360140214 1065036979 /nfs/dbraw/zinc/03/69/79/1065036979.db2.gz ZKJOAMCIKGFAKP-FQEVSTJZSA-N 2 0 459.082 4.639 20 0 JJADRP CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001360143251 1065043143 /nfs/dbraw/zinc/04/31/43/1065043143.db2.gz CGIWAXRSWDHYRF-MHZLTWQESA-N 2 0 484.758 4.600 20 0 JJADRP CC(C)[NH2+]C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001360306333 1065142000 /nfs/dbraw/zinc/14/20/00/1065142000.db2.gz CVBQEWQJNATCLB-NRFANRHFSA-N 2 0 473.090 4.930 20 0 JJADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)c1 ZINC001360354726 1065203826 /nfs/dbraw/zinc/20/38/26/1065203826.db2.gz BHIABYUKMIFQJB-UHFFFAOYSA-N 2 0 451.680 4.800 20 0 JJADRP C[C@H](c1cccs1)N(C)c1nnc(CC(C)(C)C)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001360466083 1065376704 /nfs/dbraw/zinc/37/67/04/1065376704.db2.gz HVCYENOCKNNKHV-OAQYLSRUSA-N 2 0 481.714 4.733 20 0 JJADRP C[C@@H](CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001360510950 1065455440 /nfs/dbraw/zinc/45/54/40/1065455440.db2.gz RWMUXDZYVLTEGT-NRFANRHFSA-N 2 0 488.671 4.722 20 0 JJADRP CCC[N@H+](Cc1ccccc1)Cc1ccc(NC(=O)[C@@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)cc1 ZINC001437229847 1065523894 /nfs/dbraw/zinc/52/38/94/1065523894.db2.gz ZZLQAKGABXLFMK-SXOMAYOGSA-N 2 0 459.638 4.506 20 0 JJADRP C[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[NH+](C)C ZINC001360588278 1065591666 /nfs/dbraw/zinc/59/16/66/1065591666.db2.gz TYIPCBYJYVZTGL-LJQANCHMSA-N 2 0 479.138 4.732 20 0 JJADRP CC(C)[N@@H+]1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001360746025 1065787581 /nfs/dbraw/zinc/78/75/81/1065787581.db2.gz RTYJKRMUYLMTDV-JOCHJYFZSA-N 2 0 486.680 4.742 20 0 JJADRP C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CC1([NH+](C)C)CCC1 ZINC001360748807 1065791030 /nfs/dbraw/zinc/79/10/30/1065791030.db2.gz GSCGSEVOPUQXET-NRFANRHFSA-N 2 0 486.680 4.600 20 0 JJADRP C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CC1([NH+](C)C)CCC1 ZINC001360748808 1065791161 /nfs/dbraw/zinc/79/11/61/1065791161.db2.gz GSCGSEVOPUQXET-OAQYLSRUSA-N 2 0 486.680 4.600 20 0 JJADRP C[C@@H](Oc1ccccc1F)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001360773472 1065871676 /nfs/dbraw/zinc/87/16/76/1065871676.db2.gz IUMCULCHMHILNL-LEWJYISDSA-N 2 0 486.680 4.598 20 0 JJADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1)c1cccc(F)c1 ZINC001440677935 1065963911 /nfs/dbraw/zinc/96/39/11/1065963911.db2.gz VOOZFNZQGUXKMT-SMIHKQSGSA-N 2 0 451.611 4.522 20 0 JJADRP Cc1cccc(O[C@H](C)c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC[NH+]2CCCCCC2)c1C ZINC001360875265 1066017393 /nfs/dbraw/zinc/01/73/93/1066017393.db2.gz RNSSUIKQRSOQGH-RUZDIDTESA-N 2 0 482.717 4.831 20 0 JJADRP Cc1cccc(O[C@@H](C)c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@H](CC(C)C)[NH+](C)C)c1C ZINC001360876720 1066021075 /nfs/dbraw/zinc/02/10/75/1066021075.db2.gz AGIIVRRHZPNLFE-ZEQRLZLVSA-N 2 0 470.706 4.542 20 0 JJADRP Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@H](C)[NH+](C)C ZINC001360911152 1066068229 /nfs/dbraw/zinc/06/82/29/1066068229.db2.gz YGDBXXVKZPIGSF-IBGZPJMESA-N 2 0 481.714 4.638 20 0 JJADRP Cc1cc(C)cc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001361034811 1066251620 /nfs/dbraw/zinc/25/16/20/1066251620.db2.gz DSHIXTQBPIPEJL-UIOOFZCWSA-N 2 0 496.744 4.762 20 0 JJADRP O=C([C@H]1CCC[N@H+](CCc2ccccc2)C1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC001443537683 1066326701 /nfs/dbraw/zinc/32/67/01/1066326701.db2.gz JCGRNJOVVZMZJJ-VWLOTQADSA-N 2 0 454.058 4.719 20 0 JJADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC001443929470 1066386542 /nfs/dbraw/zinc/38/65/42/1066386542.db2.gz RLSAAMKWYOTVCM-HUROMRQRSA-N 2 0 463.666 4.551 20 0 JJADRP Cc1ccc([C@H](Cn2c(CC(C)(C)C)nnc2N2CCC[N@@H+](C3CCCC3)CC2)[NH+](C)C)cc1 ZINC001361139575 1066415786 /nfs/dbraw/zinc/41/57/86/1066415786.db2.gz MFMZWHYSCZRUIZ-VWLOTQADSA-N 2 0 466.718 4.933 20 0 JJADRP Cc1ccc(C)c(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC(C)(C)C[NH+]2CCCC2)c1 ZINC001361159073 1066463282 /nfs/dbraw/zinc/46/32/82/1066463282.db2.gz NTDFVCABENZFHE-UHFFFAOYSA-N 2 0 482.717 4.516 20 0 JJADRP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001361192137 1066519187 /nfs/dbraw/zinc/51/91/87/1066519187.db2.gz HZWFIICPBAUOLH-ILBGXUMGSA-N 2 0 459.556 4.737 20 0 JJADRP Cc1ccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@H](c2ccccc2)[NH+](C)C)o1 ZINC001361205065 1066536034 /nfs/dbraw/zinc/53/60/34/1066536034.db2.gz BJGGSJJVIAKXIY-XMMPIXPASA-N 2 0 464.658 4.706 20 0 JJADRP Cc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)o1 ZINC001361226005 1066564465 /nfs/dbraw/zinc/56/44/65/1066564465.db2.gz SZXSEFHJXBXDIQ-IDISGSTGSA-N 2 0 470.706 4.915 20 0 JJADRP Cc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CCC[NH+]2CCC(C)CC2)o1 ZINC001361225847 1066564471 /nfs/dbraw/zinc/56/44/71/1066564471.db2.gz OIGKYKYRIBTAHQ-UHFFFAOYSA-N 2 0 456.679 4.527 20 0 JJADRP CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[NH+]1CCCC1 ZINC001545994658 1066794140 /nfs/dbraw/zinc/79/41/40/1066794140.db2.gz DCLQRUIDXNMCDH-BJKOFHAPSA-N 2 0 458.739 4.689 20 0 JJADRP Cc1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001492776926 1066947203 /nfs/dbraw/zinc/94/72/03/1066947203.db2.gz JZXGPYBVTCRAAM-ANNHOSHMSA-N 2 0 466.718 4.834 20 0 JJADRP CC[C@H](c1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C)c1ccccc1 ZINC001545751275 1067022697 /nfs/dbraw/zinc/02/26/97/1067022697.db2.gz BQZJPHWZGWMFFF-DQEYMECFSA-N 2 0 466.718 4.861 20 0 JJADRP CC[C@@H](c1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1CC[N@@H+]1CCC[C@H]1C)c1ccccc1 ZINC001545752491 1067028268 /nfs/dbraw/zinc/02/82/68/1067028268.db2.gz YITRVHYSTXNMJO-ISKFKSNPSA-N 2 0 452.691 4.615 20 0 JJADRP CC[C@@H](c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1CCCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC001545758289 1067037094 /nfs/dbraw/zinc/03/70/94/1067037094.db2.gz DMCONNLBRXEONK-AOYPEHQESA-N 2 0 466.718 4.863 20 0 JJADRP CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)[NH+](C)C ZINC001545808082 1067131747 /nfs/dbraw/zinc/13/17/47/1067131747.db2.gz RZCUVSIKLPBHNY-WGGBDISSSA-N 2 0 477.072 4.777 20 0 JJADRP CCC(CC)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1)[NH+](C)C ZINC001545810531 1067138760 /nfs/dbraw/zinc/13/87/60/1067138760.db2.gz XWSMXDOBUNQCIC-VWLOTQADSA-N 2 0 469.722 4.732 20 0 JJADRP CCC(CC)[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1)[NH+](C)C ZINC001545817545 1067149999 /nfs/dbraw/zinc/14/99/99/1067149999.db2.gz LLPAVWNQAXHVSS-HFZDXXHNSA-N 2 0 484.708 4.685 20 0 JJADRP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCC1(F)F ZINC001452769571 1067250698 /nfs/dbraw/zinc/25/06/98/1067250698.db2.gz JFGSUEPBQZHDDA-FUCAVZNHSA-N 2 0 455.593 4.654 20 0 JJADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001459609475 1067362507 /nfs/dbraw/zinc/36/25/07/1067362507.db2.gz MPQQSNBQSWICFK-WZONZLPQSA-N 2 0 451.438 4.734 20 0 JJADRP CC[N@H+](CCC1CC[NH+]([C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@@H]2O)CC1)CC(C)C ZINC001459813985 1067435030 /nfs/dbraw/zinc/43/50/30/1067435030.db2.gz RGGJRXLCEXNUGO-RPBOFIJWSA-N 2 0 459.675 4.924 20 0 JJADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CCN(C(=O)OCc4ccccc4)CC3)C2)s1 ZINC001460065927 1067544305 /nfs/dbraw/zinc/54/43/05/1067544305.db2.gz AKDXVZXMHVEPJI-DEOSSOPVSA-N 2 0 455.668 4.859 20 0 JJADRP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001460087081 1067550262 /nfs/dbraw/zinc/55/02/62/1067550262.db2.gz XLWPILFXJSZVIQ-UHFFFAOYSA-N 2 0 459.478 4.974 20 0 JJADRP CC(C)(C)OC(=O)C1CCC(O)(C[NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)CC1 ZINC001460313065 1067605470 /nfs/dbraw/zinc/60/54/70/1067605470.db2.gz BUMDZAKGSIVGIZ-UHFFFAOYSA-N 2 0 456.671 4.628 20 0 JJADRP FC(F)(F)c1cccc(N2CCN(CCC[NH2+]C3CC[NH+](C4CCCCC4)CC3)CC2)c1 ZINC001461034089 1067766324 /nfs/dbraw/zinc/76/63/24/1067766324.db2.gz FIVPBOOPMVYUSD-UHFFFAOYSA-N 2 0 452.609 4.604 20 0 JJADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001461051646 1067770023 /nfs/dbraw/zinc/77/00/23/1067770023.db2.gz YWYGGFYSEABCIF-KDURUIRLSA-N 2 0 450.579 4.996 20 0 JJADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C(C)(C)C)CC1 ZINC001461052531 1067770344 /nfs/dbraw/zinc/77/03/44/1067770344.db2.gz XBYDOTFZRLMIKE-UHFFFAOYSA-N 2 0 459.682 4.906 20 0 JJADRP Brc1cnc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)c(Br)c1 ZINC001461120991 1067785282 /nfs/dbraw/zinc/78/52/82/1067785282.db2.gz QRROGTKCZDVVJE-UHFFFAOYSA-N 2 0 459.251 4.670 20 0 JJADRP COc1cc(C)ccc1Oc1ccccc1C[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC001461254214 1067810928 /nfs/dbraw/zinc/81/09/28/1067810928.db2.gz BMTNMUKUFVNOBU-UHFFFAOYSA-N 2 0 453.627 4.512 20 0 JJADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC001461492946 1067874904 /nfs/dbraw/zinc/87/49/04/1067874904.db2.gz HTSUFAGHRMICJS-UHFFFAOYSA-N 2 0 453.030 4.964 20 0 JJADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001461722903 1067925882 /nfs/dbraw/zinc/92/58/82/1067925882.db2.gz WITOSYCHYOPUDM-UHFFFAOYSA-N 2 0 453.030 4.649 20 0 JJADRP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccc(N3CCC[C@H](C(=O)OC(C)(C)C)C3)o2)n1 ZINC001461863005 1067949635 /nfs/dbraw/zinc/94/96/35/1067949635.db2.gz AFAIKXWHMPKGLU-SFTDATJTSA-N 2 0 454.615 4.618 20 0 JJADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(OC)cc1)c1ccccc1 ZINC001462102481 1068003259 /nfs/dbraw/zinc/00/32/59/1068003259.db2.gz BMXVVQCGAGEAFW-NHKHRBQYSA-N 2 0 471.645 4.863 20 0 JJADRP Clc1ncc2c(c1N1CCC3(CCCC[NH2+]3)CC1)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164386991 718803407 /nfs/dbraw/zinc/80/34/07/718803407.db2.gz IIOJQTIMJKLMGS-UHFFFAOYSA-N 2 0 467.057 4.869 20 0 JJADRP Clc1ncc2c(c1N1C[C@@H]3[NH2+]Cc4ccccc4[C@@H]3C1)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164423345 718945068 /nfs/dbraw/zinc/94/50/68/718945068.db2.gz HZXAIZYWXRYPGQ-OZXSUGGESA-N 2 0 487.047 4.832 20 0 JJADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c(n3)CC[NH+](Cc3ccccc3)C4)C[C@@H]21 ZINC001165017866 721807530 /nfs/dbraw/zinc/80/75/30/721807530.db2.gz BALLOCZUKUQJGB-JPZGVGIDSA-N 2 0 467.661 4.772 20 0 JJADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@H]21 ZINC001165026088 721832317 /nfs/dbraw/zinc/83/23/17/721832317.db2.gz ODVZUCVFTAXRNQ-WUMKDDEVSA-N 2 0 488.026 4.789 20 0 JJADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@H]21 ZINC001165026065 721832349 /nfs/dbraw/zinc/83/23/49/721832349.db2.gz ODVZUCVFTAXRNQ-CTUHWIOQSA-N 2 0 488.026 4.789 20 0 JJADRP CC[NH+](CC)C1CCN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3=O)CC1 ZINC001165053681 722004947 /nfs/dbraw/zinc/00/49/47/722004947.db2.gz RZNGPBDGLZMBLP-UHFFFAOYSA-N 2 0 483.056 4.707 20 0 JJADRP CC(C)C[C@@H](Cn1c(-c2cc3ccccc3o2)nnc1N1CC[NH+](C(C)(C)C)CC1)[NH+](C)C ZINC001359766697 1064393575 /nfs/dbraw/zinc/39/35/75/1064393575.db2.gz SEONHKQWXWLGOC-NRFANRHFSA-N 2 0 452.647 4.588 20 0 JJADRP CC(C)C[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)[NH+](C)C ZINC001359766837 1064394490 /nfs/dbraw/zinc/39/44/90/1064394490.db2.gz VOKXXXPIIBWYBX-VQTJNVASSA-N 2 0 479.500 4.903 20 0 JJADRP CC(C)Cc1nnc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001359777369 1064421457 /nfs/dbraw/zinc/42/14/57/1064421457.db2.gz HZOLPOWXPOFUPN-RSXGOPAZSA-N 2 0 466.718 4.842 20 0 JJADRP CC(C)Cc1nnc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001359802857 1064471501 /nfs/dbraw/zinc/47/15/01/1064471501.db2.gz XAIYVBUSQOEZTL-RPBOFIJWSA-N 2 0 466.718 4.699 20 0 JJADRP CC(C)Cc1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001359833518 1064519714 /nfs/dbraw/zinc/51/97/14/1064519714.db2.gz YPRVKLDHMUEPCQ-DQEYMECFSA-N 2 0 458.739 4.689 20 0 JJADRP CC(C)Cc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001359833520 1064519791 /nfs/dbraw/zinc/51/97/91/1064519791.db2.gz YPRVKLDHMUEPCQ-LOSJGSFVSA-N 2 0 458.739 4.689 20 0 JJADRP CC(C)Cc1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001359841107 1064528328 /nfs/dbraw/zinc/52/83/28/1064528328.db2.gz BTCKDWHAIQDTMI-QHCPKHFHSA-N 2 0 454.707 4.698 20 0 JJADRP CC(C)Cc1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001359841678 1064529044 /nfs/dbraw/zinc/52/90/44/1064529044.db2.gz YABDUCWVCSPXII-LXFBAYGMSA-N 2 0 484.708 4.839 20 0 JJADRP CC(C)Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001359848720 1064534302 /nfs/dbraw/zinc/53/43/02/1064534302.db2.gz BLCMSKRNSKHNPE-VWLOTQADSA-N 2 0 466.718 4.699 20 0 JJADRP CC(C)C[N@@H+]1CCC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001360010351 1064801751 /nfs/dbraw/zinc/80/17/51/1064801751.db2.gz ONVFSCCVVOBUKD-QHCPKHFHSA-N 2 0 487.136 4.811 20 0 JJADRP CC(C)C[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001360021239 1064824585 /nfs/dbraw/zinc/82/45/85/1064824585.db2.gz BOIMGIZZBAYZJR-OAQYLSRUSA-N 2 0 473.109 4.887 20 0 JJADRP CC(C)C[NH+]1CCN(c2nnc(CC(C)(C)C)n2CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001360028197 1064829163 /nfs/dbraw/zinc/82/91/63/1064829163.db2.gz YRFVRXFXJMWQOR-AOYPEHQESA-N 2 0 480.745 4.945 20 0 JJADRP Cc1ccc(NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)cc1NC(=O)CC[NH+](C)C ZINC001435802339 1064999512 /nfs/dbraw/zinc/99/95/12/1064999512.db2.gz NRUCZFCTJWGIMO-UHFFFAOYSA-N 2 0 458.606 4.770 20 0 JJADRP CC(C)[NH+](CCCn1c(-c2ccccc2F)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1)C(C)C ZINC001360125589 1065018281 /nfs/dbraw/zinc/01/82/81/1065018281.db2.gz PNWQBOJKLDDVLS-HSZRJFAPSA-N 2 0 470.681 4.905 20 0 JJADRP CC(C)[NH+](CCn1c(-c2ccc(Br)s2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)C(C)C ZINC001360128379 1065022483 /nfs/dbraw/zinc/02/24/83/1065022483.db2.gz HEFNZOXPLMNLBD-SFHVURJKSA-N 2 0 495.535 4.562 20 0 JJADRP CC(C)[NH+](CCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1)C(C)C ZINC001360129610 1065025371 /nfs/dbraw/zinc/02/53/71/1065025371.db2.gz YEXBOVRAVLAJQO-OAQYLSRUSA-N 2 0 459.082 4.782 20 0 JJADRP CC(C)[NH+](CCn1c(CC2CCCC2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1)C(C)C ZINC001360134026 1065029984 /nfs/dbraw/zinc/02/99/84/1065029984.db2.gz BZLIBXORRFBXCW-UHFFFAOYSA-N 2 0 484.708 4.981 20 0 JJADRP CC(C)[NH+](CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1)C(C)C ZINC001360134029 1065030194 /nfs/dbraw/zinc/03/01/94/1065030194.db2.gz CBGVFBWUBMHTIN-QHCPKHFHSA-N 2 0 489.108 4.694 20 0 JJADRP CC(C)[NH+](CCn1c(Cn2ccc3ccccc32)nnc1N1CC[NH+](CCC(C)(C)C)CC1)C(C)C ZINC001360134636 1065030632 /nfs/dbraw/zinc/03/06/32/1065030632.db2.gz MIDSSLWUJMBRRK-UHFFFAOYSA-N 2 0 493.744 4.958 20 0 JJADRP CC(C)[N@@H+]1CCC[C@@H](Cn2c(N3CCC[C@H](C[NH+]4CCCCCC4)C3)nnc2C(C)(C)C)C1 ZINC001360140335 1065037795 /nfs/dbraw/zinc/03/77/95/1065037795.db2.gz BYVDPHZCBRKVIJ-DNQXCXABSA-N 2 0 458.739 4.788 20 0 JJADRP CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001360143248 1065043290 /nfs/dbraw/zinc/04/32/90/1065043290.db2.gz CGIWAXRSWDHYRF-HHHXNRCGSA-N 2 0 484.758 4.600 20 0 JJADRP CC(C)[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC001360152437 1065055394 /nfs/dbraw/zinc/05/53/94/1065055394.db2.gz LEDXIMBRAWDANM-REWPJTCUSA-N 2 0 458.720 4.542 20 0 JJADRP CC(C)[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC001360152436 1065055453 /nfs/dbraw/zinc/05/54/53/1065055453.db2.gz LEDXIMBRAWDANM-OFNKIYASSA-N 2 0 458.720 4.542 20 0 JJADRP CC(C)[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC001360152435 1065055699 /nfs/dbraw/zinc/05/56/99/1065055699.db2.gz LEDXIMBRAWDANM-NZQKXSOJSA-N 2 0 458.720 4.542 20 0 JJADRP CC(C)[NH2+]C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001360305388 1065140006 /nfs/dbraw/zinc/14/00/06/1065140006.db2.gz ONPTYMHKCBVCRH-UHFFFAOYSA-N 2 0 490.643 4.778 20 0 JJADRP CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001360305612 1065140768 /nfs/dbraw/zinc/14/07/68/1065140768.db2.gz XTUFRGXFTPNFKO-FQEVSTJZSA-N 2 0 474.097 4.615 20 0 JJADRP CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001360305679 1065141177 /nfs/dbraw/zinc/14/11/77/1065141177.db2.gz ZZDYOFCPCLSTPU-UHFFFAOYSA-N 2 0 477.072 4.969 20 0 JJADRP CC(C)[NH2+]C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001360306494 1065141831 /nfs/dbraw/zinc/14/18/31/1065141831.db2.gz FIKXAJCPISLZMN-JOCHJYFZSA-N 2 0 459.082 4.686 20 0 JJADRP CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001360309967 1065146487 /nfs/dbraw/zinc/14/64/87/1065146487.db2.gz UFXVPXRYCRYGIF-UHFFFAOYSA-N 2 0 489.108 4.742 20 0 JJADRP C[C@@H](c1ccccc1F)N(C)c1nnc(C(C)(C)C)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001360452717 1065347345 /nfs/dbraw/zinc/34/73/45/1065347345.db2.gz QQCVJBRYMYOAFF-NRFANRHFSA-N 2 0 479.648 4.519 20 0 JJADRP C[C@H](c1ccccc1F)N(C)c1nnc(CC(C)(C)C)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001360453337 1065347834 /nfs/dbraw/zinc/34/78/34/1065347834.db2.gz ZLOVSHODGJYLPD-JOCHJYFZSA-N 2 0 493.675 4.811 20 0 JJADRP C[C@H](CCn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001360510096 1065452500 /nfs/dbraw/zinc/45/25/00/1065452500.db2.gz DKZIYBFHOSQBEH-HSZRJFAPSA-N 2 0 484.708 4.831 20 0 JJADRP C[C@H](CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001360510951 1065455724 /nfs/dbraw/zinc/45/57/24/1065455724.db2.gz RWMUXDZYVLTEGT-OAQYLSRUSA-N 2 0 488.671 4.722 20 0 JJADRP C[C@@H](CCn1c(N2CCC[C@H](C[NH+]3CCCCCC3)C2)nnc1C(C)(C)C)[NH+]1CCCCC1 ZINC001360511788 1065458415 /nfs/dbraw/zinc/45/84/15/1065458415.db2.gz ZYMZFEHZCWIGDT-BJKOFHAPSA-N 2 0 458.739 4.933 20 0 JJADRP CCC[N@H+](Cc1ccccc1)Cc1ccc(NC(=O)[C@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)cc1 ZINC001437229845 1065523575 /nfs/dbraw/zinc/52/35/75/1065523575.db2.gz ZZLQAKGABXLFMK-SVBPBHIXSA-N 2 0 459.638 4.506 20 0 JJADRP C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1)[NH+](C)C ZINC001360541163 1065527591 /nfs/dbraw/zinc/52/75/91/1065527591.db2.gz IMOJVTNIJHJILU-WOJBJXKFSA-N 2 0 477.072 4.780 20 0 JJADRP C[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)C[NH+]1CCCCC1 ZINC001360598391 1065618395 /nfs/dbraw/zinc/61/83/95/1065618395.db2.gz ANGGBUXBZUPPFS-QFIPXVFZSA-N 2 0 487.136 4.955 20 0 JJADRP C[C@H]([NH2+]C(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)c1ccccc1 ZINC001360644554 1065718824 /nfs/dbraw/zinc/71/88/24/1065718824.db2.gz AQRQHHBLTCIXKJ-QFIPXVFZSA-N 2 0 477.701 4.961 20 0 JJADRP C[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1)[NH+](C)C ZINC001360745707 1065785747 /nfs/dbraw/zinc/78/57/47/1065785747.db2.gz OTPYLWPGIIEVAI-XPWALMASSA-N 2 0 486.680 4.600 20 0 JJADRP CC(C)[NH+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001360749006 1065791079 /nfs/dbraw/zinc/79/10/79/1065791079.db2.gz JYLYNVCSLYWDFF-OFVILXPXSA-N 2 0 486.680 4.598 20 0 JJADRP CC(C)[NH+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001360749007 1065791659 /nfs/dbraw/zinc/79/16/59/1065791659.db2.gz JYLYNVCSLYWDFF-PXDATVDWSA-N 2 0 486.680 4.598 20 0 JJADRP C[C@@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[NH+](C)C ZINC001360760684 1065833842 /nfs/dbraw/zinc/83/38/42/1065833842.db2.gz RESLHHJMCRDZBT-PMACEKPBSA-N 2 0 477.097 4.580 20 0 JJADRP CC(C)[N@H+](C)CCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001360760849 1065834847 /nfs/dbraw/zinc/83/48/47/1065834847.db2.gz UHVBPXIFKHTOOY-HXUWFJFHSA-N 2 0 477.097 4.722 20 0 JJADRP C[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001360773474 1065871943 /nfs/dbraw/zinc/87/19/43/1065871943.db2.gz IUMCULCHMHILNL-RTWAWAEBSA-N 2 0 486.680 4.598 20 0 JJADRP Cc1cccc(O[C@@H](C)c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)c1C ZINC001360876717 1066020987 /nfs/dbraw/zinc/02/09/87/1066020987.db2.gz AGIIVRRHZPNLFE-BJKOFHAPSA-N 2 0 470.706 4.542 20 0 JJADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1)c1ccsc1 ZINC001441320295 1066027310 /nfs/dbraw/zinc/02/73/10/1066027310.db2.gz UCEQBRKWKQBXJG-JIMJEQGWSA-N 2 0 462.663 4.558 20 0 JJADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1)c1ccsc1 ZINC001441320305 1066027365 /nfs/dbraw/zinc/02/73/65/1066027365.db2.gz UCEQBRKWKQBXJG-NXCFDTQHSA-N 2 0 462.663 4.558 20 0 JJADRP Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[NH+](C(C)C)CC2)n1CC[N@@H+](C)C(C)C ZINC001360991490 1066169929 /nfs/dbraw/zinc/16/99/29/1066169929.db2.gz CXJURWKXVCXHTK-QFIPXVFZSA-N 2 0 491.124 4.949 20 0 JJADRP Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[NH+](C(C)C)CC2)n1CC[N@@H+](C)C(C)C ZINC001360991489 1066170016 /nfs/dbraw/zinc/17/00/16/1066170016.db2.gz CXJURWKXVCXHTK-JOCHJYFZSA-N 2 0 491.124 4.949 20 0 JJADRP CC1(C)C[N@H+](Cc2ccccc2)C(C)(C)CN1C(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC001454116261 1066246649 /nfs/dbraw/zinc/24/66/49/1066246649.db2.gz ITFFVJLUEFMWMW-XMMPIXPASA-N 2 0 451.630 4.939 20 0 JJADRP C[NH+](C)C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC001454574087 1066303342 /nfs/dbraw/zinc/30/33/42/1066303342.db2.gz ITQVACKJEJOOMM-AVRDEDQJSA-N 2 0 452.401 4.764 20 0 JJADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(-c2ccc(Br)cc2)s1 ZINC001443431074 1066310572 /nfs/dbraw/zinc/31/05/72/1066310572.db2.gz JDEIAVSBQXEAPW-UHFFFAOYSA-N 2 0 452.462 4.523 20 0 JJADRP Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@H]([NH+]4CCCCC4)C3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001361128471 1066392229 /nfs/dbraw/zinc/39/22/29/1066392229.db2.gz XDBBYAYCXQQYFT-DEOSSOPVSA-N 2 0 496.744 4.941 20 0 JJADRP Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC[NH+]2CCCC2)c1 ZINC001361128576 1066392604 /nfs/dbraw/zinc/39/26/04/1066392604.db2.gz ZOLXBCVSNVBRCK-UHFFFAOYSA-N 2 0 482.717 4.695 20 0 JJADRP Cc1ccc([C@H](Cn2c(N3CCC[N@@H+](C(C)C)CC3)nnc2C(C)(C)C)[NH+]2CCCC2)cc1 ZINC001361142033 1066422497 /nfs/dbraw/zinc/42/24/97/1066422497.db2.gz TXKYFUBVFKJWGI-DEOSSOPVSA-N 2 0 452.691 4.642 20 0 JJADRP Cc1ccc(C)c(OCc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@H](C)C[NH+]2CCCC2)c1 ZINC001361162241 1066469349 /nfs/dbraw/zinc/46/93/49/1066469349.db2.gz LIRYLQNJUFIKAX-XMMPIXPASA-N 2 0 496.744 4.764 20 0 JJADRP Cc1ccc(-c2nnc(N(C)[C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)n2CC(C)(C)C[NH+](C)C)o1 ZINC001361171015 1066486402 /nfs/dbraw/zinc/48/64/02/1066486402.db2.gz LFLFVDNINUUEMN-URXFXBBRSA-N 2 0 478.685 4.924 20 0 JJADRP Cc1ccc(-c2nnc(N(C)[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)n2CC(C)(C)C[NH+](C)C)o1 ZINC001361171017 1066486519 /nfs/dbraw/zinc/48/65/19/1066486519.db2.gz LFLFVDNINUUEMN-ZJSXRUAMSA-N 2 0 478.685 4.924 20 0 JJADRP Cc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)o1 ZINC001361207435 1066540177 /nfs/dbraw/zinc/54/01/77/1066540177.db2.gz SVLPWYWASSEFGP-QFIPXVFZSA-N 2 0 471.049 4.770 20 0 JJADRP Cc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@H](c2cccs2)[NH+](C)C)o1 ZINC001361218956 1066555643 /nfs/dbraw/zinc/55/56/43/1066555643.db2.gz YEKAWLICVIORJW-LJQANCHMSA-N 2 0 456.660 4.522 20 0 JJADRP Cc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@@H](c2ccsc2)[NH+](C)C)o1 ZINC001361225849 1066564403 /nfs/dbraw/zinc/56/44/03/1066564403.db2.gz OJAMFQRTCRBZGD-NRFANRHFSA-N 2 0 470.687 4.769 20 0 JJADRP CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](C[NH+](CC)CC)C1)[N@@H+]1CCc2ccccc2C1 ZINC001545994818 1066797134 /nfs/dbraw/zinc/79/71/34/1066797134.db2.gz GUBPNMRSDCZJTC-OZXSUGGESA-N 2 0 480.745 4.872 20 0 JJADRP Cc1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001492848035 1066957688 /nfs/dbraw/zinc/95/76/88/1066957688.db2.gz MPYHWZOCYSIGHA-LADGPHEKSA-N 2 0 452.691 4.664 20 0 JJADRP Cc1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001492848037 1066958028 /nfs/dbraw/zinc/95/80/28/1066958028.db2.gz MPYHWZOCYSIGHA-UPVQGACJSA-N 2 0 452.691 4.664 20 0 JJADRP CC[C@@H](c1nnc(N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)n1CC(C)(C)[NH+]1CCC(OC)CC1)c1ccccc1 ZINC001545730633 1066988249 /nfs/dbraw/zinc/98/82/49/1066988249.db2.gz CUTATAQXPVNIKJ-MVERNJQCSA-N 2 0 496.744 4.628 20 0 JJADRP CC[C@@H](c1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1C[C@H](C)[NH+](C)C)c1ccccc1 ZINC001545746785 1067015623 /nfs/dbraw/zinc/01/56/23/1067015623.db2.gz UYTBGLUBJSGVKY-BFLUCZKCSA-N 2 0 466.718 4.718 20 0 JJADRP CC[C@H](c1nnc(N2CC[NH+](C(C)C)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545756598 1067033887 /nfs/dbraw/zinc/03/38/87/1067033887.db2.gz KQWPZBJDUNRHMS-GSLIJJQTSA-N 2 0 466.718 4.718 20 0 JJADRP CC[C@H](c1nnc(N2CC[NH+](CC(C)C)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC001545758650 1067039030 /nfs/dbraw/zinc/03/90/30/1067039030.db2.gz KTLSSVVVLGSHHV-AHWVRZQESA-N 2 0 466.718 4.863 20 0 JJADRP CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C)[NH+](C)C ZINC001545808079 1067131674 /nfs/dbraw/zinc/13/16/74/1067131674.db2.gz RZCUVSIKLPBHNY-LLBVYWAGSA-N 2 0 477.072 4.777 20 0 JJADRP CCC(CC)[C@H](Cn1c(-c2ccccc2F)nnc1N1CC[NH+](C2CCCCC2)CC1)[NH+](C)C ZINC001545809495 1067135665 /nfs/dbraw/zinc/13/56/65/1067135665.db2.gz DUPNVFYQONOWCO-VWLOTQADSA-N 2 0 470.681 4.905 20 0 JJADRP CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](Cc2ccccc2C)CC1)[NH+](C)C ZINC001545814539 1067142358 /nfs/dbraw/zinc/14/23/58/1067142358.db2.gz CKQLZEGGBDYADJ-UIOOFZCWSA-N 2 0 482.717 4.517 20 0 JJADRP CCC(CC)[C@@H](Cn1c(CC2CCCC2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1)[NH+](C)C ZINC001545819422 1067154468 /nfs/dbraw/zinc/15/44/68/1067154468.db2.gz FLTLWNDCIUBKIY-SQJMNOBHSA-N 2 0 458.739 4.688 20 0 JJADRP CCC(CC)[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)[NH+](C)C ZINC001545819843 1067156287 /nfs/dbraw/zinc/15/62/87/1067156287.db2.gz NEZZBCBFYFKASY-JOCHJYFZSA-N 2 0 460.736 4.607 20 0 JJADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCC2(F)F)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001452769567 1067250631 /nfs/dbraw/zinc/25/06/31/1067250631.db2.gz JFGSUEPBQZHDDA-FFHOAYQKSA-N 2 0 455.593 4.654 20 0 JJADRP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+]C3(c4ccc(Cl)cc4)CCCCC3)cc2)CC1 ZINC001459714081 1067393089 /nfs/dbraw/zinc/39/30/89/1067393089.db2.gz NBFNLURIGVRZOB-UHFFFAOYSA-N 2 0 455.046 4.870 20 0 JJADRP C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC001459794498 1067426675 /nfs/dbraw/zinc/42/66/75/1067426675.db2.gz BPPPLOOXMFAOLK-IBGZPJMESA-N 2 0 459.034 4.760 20 0 JJADRP CC[N@H+](CCC1CC[NH+]([C@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@@H]2O)CC1)CC(C)C ZINC001459813977 1067434875 /nfs/dbraw/zinc/43/48/75/1067434875.db2.gz RGGJRXLCEXNUGO-DQEYMECFSA-N 2 0 459.675 4.924 20 0 JJADRP C[C@@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C(c1ccccc1)c1ccccc1 ZINC001459927618 1067495457 /nfs/dbraw/zinc/49/54/57/1067495457.db2.gz TWXOXGUMLRWXOI-JOCHJYFZSA-N 2 0 459.659 4.984 20 0 JJADRP O=C(C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001459937513 1067499025 /nfs/dbraw/zinc/49/90/25/1067499025.db2.gz XJEBBXUBYPHZEJ-UHFFFAOYSA-N 2 0 459.556 4.977 20 0 JJADRP COc1ccc(NC(=O)CN2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC001460549980 1067654713 /nfs/dbraw/zinc/65/47/13/1067654713.db2.gz YIMHKZLECWPKEW-VWLOTQADSA-N 2 0 456.030 4.910 20 0 JJADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1 ZINC001461003996 1067760909 /nfs/dbraw/zinc/76/09/09/1067760909.db2.gz DCEKJFGZADCRSO-QHCPKHFHSA-N 2 0 455.643 4.969 20 0 JJADRP CO[C@@H](C[NH2+]CC1(NC(=O)OC(C)(C)C)CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC001462343116 1068055157 /nfs/dbraw/zinc/05/51/57/1068055157.db2.gz MENUGCITPAYHRQ-DEOSSOPVSA-N 2 0 459.675 4.731 20 0 JJADRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3c(Br)cc(F)c(F)c3N3CCCCC3)C[C@@H]2C1 ZINC001462655431 1068125764 /nfs/dbraw/zinc/12/57/64/1068125764.db2.gz QZZAKZDROCYQFS-YESZJQIVSA-N 2 0 456.419 4.880 20 0 JJADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC001464241975 1068671853 /nfs/dbraw/zinc/67/18/53/1068671853.db2.gz UYGVTGYGTNJYCJ-OAQYLSRUSA-N 2 0 455.046 4.865 20 0 JJADRP Cc1ccc([C@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)[NH+](C)C)cc1 ZINC001464548055 1068778450 /nfs/dbraw/zinc/77/84/50/1068778450.db2.gz VMFRBTHDPTWESB-NHKHRBQYSA-N 2 0 455.646 4.938 20 0 JJADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(N([C@@H]2CCC23CC[NH2+]CC3)S(=O)(=O)c2ccccc2)nc1 ZINC001164688596 719592646 /nfs/dbraw/zinc/59/26/46/719592646.db2.gz YBDTXBMVNUFRJN-LOSJGSFVSA-N 2 0 482.694 4.746 20 0 JJADRP FC1(F)CCN(c2[nH+]c(N3CCCC3)cc3ccccc32)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164910710 721727151 /nfs/dbraw/zinc/72/71/51/721727151.db2.gz HPYSZWDVWVLBDB-SANMLTNESA-N 2 0 463.576 4.968 20 0 JJADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@@H]21 ZINC001165026073 721832118 /nfs/dbraw/zinc/83/21/18/721832118.db2.gz ODVZUCVFTAXRNQ-VEXUSMLFSA-N 2 0 488.026 4.789 20 0 JJADRP CC(C)C[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](C2CCCC2)CC1)[NH+](C)C ZINC001359765071 1064385984 /nfs/dbraw/zinc/38/59/84/1064385984.db2.gz PHTNNNFPUZAMPQ-FYYLOGMGSA-N 2 0 486.680 4.598 20 0 JJADRP CC(C)C[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](C2CCCC2)CC1)[NH+](C)C ZINC001359765074 1064386005 /nfs/dbraw/zinc/38/60/05/1064386005.db2.gz PHTNNNFPUZAMPQ-JTHBVZDNSA-N 2 0 486.680 4.598 20 0 JJADRP CC(C)C[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1)[NH+](C)C ZINC001359770343 1064401861 /nfs/dbraw/zinc/40/18/61/1064401861.db2.gz DEZDXXHRTWDMOU-RUZDIDTESA-N 2 0 487.136 4.953 20 0 JJADRP CC(C)C[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1)[NH+](C)C ZINC001359770344 1064401877 /nfs/dbraw/zinc/40/18/77/1064401877.db2.gz DEZDXXHRTWDMOU-VWLOTQADSA-N 2 0 487.136 4.953 20 0 JJADRP CC(C)C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[NH+](C)C ZINC001359771115 1064403524 /nfs/dbraw/zinc/40/35/24/1064403524.db2.gz QURQMKASOYPVLN-NRFANRHFSA-N 2 0 490.687 4.682 20 0 JJADRP CC(C)C[C@H](Cn1c(Cc2ccsc2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC001359770992 1064403641 /nfs/dbraw/zinc/40/36/41/1064403641.db2.gz OSRMYUAGWZOIJJ-WIOPSUGQSA-N 2 0 480.726 4.617 20 0 JJADRP CC(C)C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[NH+](C)C ZINC001359771116 1064403737 /nfs/dbraw/zinc/40/37/37/1064403737.db2.gz QURQMKASOYPVLN-OAQYLSRUSA-N 2 0 490.687 4.682 20 0 JJADRP CC(C)C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](C2CCCCC2)CC1)[NH+](C)C ZINC001359772217 1064407172 /nfs/dbraw/zinc/40/71/72/1064407172.db2.gz LMFVFKFOCCEDQX-UBFVSLLYSA-N 2 0 488.765 4.628 20 0 JJADRP CC(C)Cc1nnc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001359802060 1064469718 /nfs/dbraw/zinc/46/97/18/1064469718.db2.gz GYUDCNKULOHAQH-JWQCQUIFSA-N 2 0 466.718 4.842 20 0 JJADRP CC(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359833432 1064519162 /nfs/dbraw/zinc/51/91/62/1064519162.db2.gz XOGINYUAQMDGAZ-DSNGMDLFSA-N 2 0 458.739 4.545 20 0 JJADRP CC(C)Cc1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001359841679 1064528911 /nfs/dbraw/zinc/52/89/11/1064528911.db2.gz YABDUCWVCSPXII-NEKDWFFYSA-N 2 0 484.708 4.839 20 0 JJADRP CC(C)Cc1nnc(N2CC[NH+](C3CCC3)C[C@H](C)C2)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001359855283 1064542585 /nfs/dbraw/zinc/54/25/85/1064542585.db2.gz IGGFMNXJQPTWFD-BJKOFHAPSA-N 2 0 466.718 4.698 20 0 JJADRP CC(C)CC[NH+]1CCC(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001359948570 1064700352 /nfs/dbraw/zinc/70/03/52/1064700352.db2.gz OGIGNLFNNQKBPL-UHFFFAOYSA-N 2 0 487.136 4.811 20 0 JJADRP CC(C)C[N@@H+]1CCC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCC([NH+]3CCCCC3)CC2)C1 ZINC001360010438 1064801725 /nfs/dbraw/zinc/80/17/25/1064801725.db2.gz PVDJSGNORJNJKF-HSZRJFAPSA-N 2 0 458.739 4.689 20 0 JJADRP CC(C)C[NH+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001360015782 1064814508 /nfs/dbraw/zinc/81/45/08/1064814508.db2.gz SMHNLXVSBAGTBP-PKTZIBPZSA-N 2 0 486.680 4.600 20 0 JJADRP CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCCC[NH+]2CCCC2)CC1 ZINC001360018230 1064819475 /nfs/dbraw/zinc/81/94/75/1064819475.db2.gz NTRIXXBJUMWFFG-UHFFFAOYSA-N 2 0 477.072 4.782 20 0 JJADRP CC(C)[N@H+](C)Cc1ccccc1Cn1c(CC2CC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001360092382 1064960603 /nfs/dbraw/zinc/96/06/03/1064960603.db2.gz DDUMZNWDJFIIRT-UHFFFAOYSA-N 2 0 466.718 4.677 20 0 JJADRP CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001360092581 1064962165 /nfs/dbraw/zinc/96/21/65/1064962165.db2.gz KSBCZWUZKJOTLI-RUZDIDTESA-N 2 0 491.149 4.592 20 0 JJADRP CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccccc3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001360092662 1064963142 /nfs/dbraw/zinc/96/31/42/1064963142.db2.gz NSSCXEBMKYUROV-QHCPKHFHSA-N 2 0 452.691 4.766 20 0 JJADRP CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccccc3)n2CC[NH+](C)C2CCCCC2)CC1 ZINC001360094964 1064967423 /nfs/dbraw/zinc/96/74/23/1064967423.db2.gz RGOOIKDAYNDXIH-UHFFFAOYSA-N 2 0 452.691 4.766 20 0 JJADRP CC(C)[N@H+](C)CC1CCN(c2nnc(CCc3ccccc3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001360095853 1064970724 /nfs/dbraw/zinc/97/07/24/1064970724.db2.gz RNVKWAGZYAUALK-UHFFFAOYSA-N 2 0 480.745 4.884 20 0 JJADRP CC(C)[N@H+](C)CCCn1c([C@H]2CCCCO2)nnc1N1CCC(CC[NH+]2CCCC[C@H]2C)CC1 ZINC001360100078 1064979578 /nfs/dbraw/zinc/97/95/78/1064979578.db2.gz GOZSSVNDDBBZCO-ILBGXUMGSA-N 2 0 474.738 4.731 20 0 JJADRP CC(C)[N@H+](C)CCCn1c(Cc2ccsc2)nnc1N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC001360101550 1064981744 /nfs/dbraw/zinc/98/17/44/1064981744.db2.gz SSWYURYTGWUGEH-UHFFFAOYSA-N 2 0 484.689 4.512 20 0 JJADRP CC(C)[N@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001360106512 1064988038 /nfs/dbraw/zinc/98/80/38/1064988038.db2.gz GADCGNHJFVNPFO-LJQANCHMSA-N 2 0 465.473 4.657 20 0 JJADRP CC(C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001360113984 1064997207 /nfs/dbraw/zinc/99/72/07/1064997207.db2.gz VIDJDVZMXFVRBI-TWJOJJKGSA-N 2 0 496.744 4.638 20 0 JJADRP CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CC[NH+](C)C2CCCCC2)CC1 ZINC001360143382 1065043860 /nfs/dbraw/zinc/04/38/60/1065043860.db2.gz FQLOHFXVTDPMJY-UHFFFAOYSA-N 2 0 459.082 4.784 20 0 JJADRP CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001360144119 1065045443 /nfs/dbraw/zinc/04/54/43/1065045443.db2.gz VIARGYAQAMJWCR-UHFFFAOYSA-N 2 0 467.489 4.760 20 0 JJADRP CC(C)[N@@H+]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCCC[NH+]2CCCC2)CC1 ZINC001360146144 1065047908 /nfs/dbraw/zinc/04/79/08/1065047908.db2.gz FKQCBBYZQXZICY-UHFFFAOYSA-N 2 0 473.109 4.709 20 0 JJADRP CC(C)[N@@H+]1CCCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC001360146742 1065048887 /nfs/dbraw/zinc/04/88/87/1065048887.db2.gz USRDAWYNSMVQAA-QFIPXVFZSA-N 2 0 456.679 4.607 20 0 JJADRP CC(C)[NH+]1CCN(c2nnc(-c3ccccc3Br)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001360150085 1065053850 /nfs/dbraw/zinc/05/38/50/1065053850.db2.gz PEFXBZLQQXTYER-HXUWFJFHSA-N 2 0 489.506 4.503 20 0 JJADRP CC(C)[NH2+]C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001360306382 1065142037 /nfs/dbraw/zinc/14/20/37/1065142037.db2.gz CVBQEWQJNATCLB-OAQYLSRUSA-N 2 0 473.090 4.930 20 0 JJADRP CC(C)[NH2+]C1CCN(c2nnc(-c3ccccc3Cl)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001360307041 1065142721 /nfs/dbraw/zinc/14/27/21/1065142721.db2.gz OGMUZLDMTOGEEE-FQEVSTJZSA-N 2 0 459.082 4.830 20 0 JJADRP CC(C)[NH2+]C1CCN(c2nnc(CCc3ccccc3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001360309759 1065145876 /nfs/dbraw/zinc/14/58/76/1065145876.db2.gz LZMWOCHWVAAOJW-AREMUKBSSA-N 2 0 466.718 4.541 20 0 JJADRP CC(C)[NH2+]C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001360310107 1065147175 /nfs/dbraw/zinc/14/71/75/1065147175.db2.gz ZCIGOTPDRQMHLY-QLBJFCOMSA-N 2 0 488.765 4.818 20 0 JJADRP C[C@@H](CCn1c(CC(C)(C)C)nnc1N1CCC[N@H+](Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC001360510448 1065454290 /nfs/dbraw/zinc/45/42/90/1065454290.db2.gz KWVHVPXACZHARO-DEOSSOPVSA-N 2 0 466.718 4.844 20 0 JJADRP C[C@H](CCn1c(N2CCC(C[NH+]3CCCCCC3)CC2)nnc1C(C)(C)C)[NH+]1CCCCC1 ZINC001360511186 1065456480 /nfs/dbraw/zinc/45/64/80/1065456480.db2.gz UVTLGUITVROYPW-HSZRJFAPSA-N 2 0 458.739 4.933 20 0 JJADRP C[C@@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001360514455 1065466853 /nfs/dbraw/zinc/46/68/53/1065466853.db2.gz UJQAHSNBHVRJJJ-RBZQAINGSA-N 2 0 488.765 4.772 20 0 JJADRP C[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1)[NH+](C)C ZINC001360537158 1065520638 /nfs/dbraw/zinc/52/06/38/1065520638.db2.gz XZKFKEZJOOHHSZ-FQEVSTJZSA-N 2 0 459.082 4.641 20 0 JJADRP C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[NH+](C)C ZINC001360541159 1065527620 /nfs/dbraw/zinc/52/76/20/1065527620.db2.gz IMOJVTNIJHJILU-UXHICEINSA-N 2 0 477.072 4.780 20 0 JJADRP C[C@@H]([NH2+]C(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)c1ccccc1 ZINC001360644553 1065718802 /nfs/dbraw/zinc/71/88/02/1065718802.db2.gz AQRQHHBLTCIXKJ-JOCHJYFZSA-N 2 0 477.701 4.961 20 0 JJADRP CC(C)[N@H+](C)CCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001360744125 1065781041 /nfs/dbraw/zinc/78/10/41/1065781041.db2.gz OGDFJXHMKMZSHA-JOCHJYFZSA-N 2 0 486.680 4.742 20 0 JJADRP Cc1cccc(O[C@@H](C)c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC[NH+]2CCCCCC2)c1C ZINC001360875266 1066017335 /nfs/dbraw/zinc/01/73/35/1066017335.db2.gz RNSSUIKQRSOQGH-VWLOTQADSA-N 2 0 482.717 4.831 20 0 JJADRP CC[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)[NH+]1CCCC1 ZINC001545951710 1066157811 /nfs/dbraw/zinc/15/78/11/1066157811.db2.gz BJSNNHBFULYKAB-JTHBVZDNSA-N 2 0 486.680 4.742 20 0 JJADRP Cc1ccc([C@@H](Cn2c(CC(C)(C)C)nnc2N2CCC[N@@H+](C3CCCC3)CC2)[NH+](C)C)cc1 ZINC001361139574 1066415879 /nfs/dbraw/zinc/41/58/79/1066415879.db2.gz MFMZWHYSCZRUIZ-RUZDIDTESA-N 2 0 466.718 4.933 20 0 JJADRP CC[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](C(C)C)CC1)[NH+]1CCCC1 ZINC001545965329 1066420846 /nfs/dbraw/zinc/42/08/46/1066420846.db2.gz VPXAUIZDKVFRFO-LJQANCHMSA-N 2 0 465.473 4.657 20 0 JJADRP Cc1ccc(-c2nnc(N3CCC(CC[N@H+]4CCCC[C@@H]4C)CC3)n2CC(C)(C)C[NH+](C)C)o1 ZINC001361204517 1066535459 /nfs/dbraw/zinc/53/54/59/1066535459.db2.gz YYBBIYIHBUNLTF-NRFANRHFSA-N 2 0 470.706 4.915 20 0 JJADRP Cc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@@H](c2cccs2)[NH+](C)C)o1 ZINC001361218955 1066555832 /nfs/dbraw/zinc/55/58/32/1066555832.db2.gz YEKAWLICVIORJW-IBGZPJMESA-N 2 0 456.660 4.522 20 0 JJADRP Cc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCC[N@@H+](C)C(C)C)cc1Br ZINC001361221189 1066559415 /nfs/dbraw/zinc/55/94/15/1066559415.db2.gz QELVTWOICVNSSB-UHFFFAOYSA-N 2 0 491.522 4.667 20 0 JJADRP CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)[NH+]1CCCC1 ZINC001545994660 1066793963 /nfs/dbraw/zinc/79/39/63/1066793963.db2.gz DCLQRUIDXNMCDH-RPWUZVMVSA-N 2 0 458.739 4.689 20 0 JJADRP CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC001545994733 1066795453 /nfs/dbraw/zinc/79/54/53/1066795453.db2.gz FFDLDYZSZWJALE-NOZRDPDXSA-N 2 0 466.718 4.842 20 0 JJADRP C[N@H+](CCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)Cc1ccc(F)cc1 ZINC001457395943 1066822054 /nfs/dbraw/zinc/82/20/54/1066822054.db2.gz SVRZNRVUWHMREH-RRPNLBNLSA-N 2 0 480.027 4.943 20 0 JJADRP CC[C@@H](c1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1C[C@H](CC(C)C)[NH+](C)C)c1ccccc1 ZINC001545732247 1066993705 /nfs/dbraw/zinc/99/37/05/1066993705.db2.gz ZMMNUMNKHMKQMW-TVYALGDOSA-N 2 0 454.707 4.715 20 0 JJADRP CC[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+](C(C)C)CC1)[NH+]1CCCC1 ZINC001546014517 1067010538 /nfs/dbraw/zinc/01/05/38/1067010538.db2.gz JUWJSHDITVTXMB-NRFANRHFSA-N 2 0 477.122 4.629 20 0 JJADRP CC[C@@H](c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CC(C)(C)C[NH+](C)C)c1ccccc1 ZINC001545751971 1067026219 /nfs/dbraw/zinc/02/62/19/1067026219.db2.gz OGLBHTZEEBIZEQ-RUZDIDTESA-N 2 0 466.718 4.863 20 0 JJADRP CC[C@@H](c1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC001545752366 1067027416 /nfs/dbraw/zinc/02/74/16/1067027416.db2.gz WCFIZMYLNGRKLD-DGWZTRNLSA-N 2 0 466.718 4.861 20 0 JJADRP CC[C@@H](c1nnc(N2CC[NH+](C(C)C)CC2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545756599 1067034183 /nfs/dbraw/zinc/03/41/83/1067034183.db2.gz KQWPZBJDUNRHMS-KYPHJKQUSA-N 2 0 466.718 4.718 20 0 JJADRP CC[C@@H](c1nnc(N2CC[NH+](CC(C)C)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC001545758652 1067039155 /nfs/dbraw/zinc/03/91/55/1067039155.db2.gz KTLSSVVVLGSHHV-AZGAKELHSA-N 2 0 466.718 4.863 20 0 JJADRP CC[C@H](c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC001545761435 1067045057 /nfs/dbraw/zinc/04/50/57/1067045057.db2.gz RLHAATUZAPCWPI-DQEYMECFSA-N 2 0 452.691 4.613 20 0 JJADRP C[N@@H+]1CC[C@@H](CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458448341 1067063885 /nfs/dbraw/zinc/06/38/85/1067063885.db2.gz ODMMGAXLFGRGBB-URXFXBBRSA-N 2 0 458.021 4.890 20 0 JJADRP CCc1ccc([C@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)[NH+](CC)CC)cc1 ZINC001450482432 1067084762 /nfs/dbraw/zinc/08/47/62/1067084762.db2.gz LJQXDHJMAVEFML-DQEYMECFSA-N 2 0 457.609 4.906 20 0 JJADRP CCC(CC)[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CC[N@H+](CC)[C@@H](C)C1)[NH+](C)C ZINC001545805013 1067117450 /nfs/dbraw/zinc/11/74/50/1067117450.db2.gz GKVOLMLBPARXRG-AVRDEDQJSA-N 2 0 491.522 4.604 20 0 JJADRP CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)[NH+](C)C ZINC001545808081 1067131715 /nfs/dbraw/zinc/13/17/15/1067131715.db2.gz RZCUVSIKLPBHNY-NYDSKATKSA-N 2 0 477.072 4.777 20 0 JJADRP CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)[NH+](C)C ZINC001545808080 1067131777 /nfs/dbraw/zinc/13/17/77/1067131777.db2.gz RZCUVSIKLPBHNY-MONBJTKQSA-N 2 0 477.072 4.777 20 0 JJADRP CCC(CC)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1)[NH+](C)C ZINC001545810530 1067138781 /nfs/dbraw/zinc/13/87/81/1067138781.db2.gz XWSMXDOBUNQCIC-RUZDIDTESA-N 2 0 469.722 4.732 20 0 JJADRP CCC(CC)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](Cc2ccccc2C)CC1)[NH+](C)C ZINC001545814537 1067142440 /nfs/dbraw/zinc/14/24/40/1067142440.db2.gz CKQLZEGGBDYADJ-FTJBHMTQSA-N 2 0 482.717 4.517 20 0 JJADRP CCC(CC)[C@H](Cn1c(C2CCCC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001545815741 1067145276 /nfs/dbraw/zinc/14/52/76/1067145276.db2.gz UVYNZRXXDNDUIL-VWLOTQADSA-N 2 0 488.765 4.631 20 0 JJADRP CCC(CC)[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[N@@H+](C(C)C)CC1)[NH+](C)C ZINC001545817375 1067148658 /nfs/dbraw/zinc/14/86/58/1067148658.db2.gz IXOZYHACQKFZRZ-DEOSSOPVSA-N 2 0 475.125 4.809 20 0 JJADRP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cc1F ZINC001451199069 1067153942 /nfs/dbraw/zinc/15/39/42/1067153942.db2.gz NNEOFRZBSHNHIE-VAVYLYDRSA-N 2 0 475.608 4.795 20 0 JJADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](CCc3ccc(F)cc3)C3CCCC3)CC2)cc1 ZINC001459771291 1067415406 /nfs/dbraw/zinc/41/54/06/1067415406.db2.gz XEOLXISXVSXTRK-UHFFFAOYSA-N 2 0 451.630 4.656 20 0 JJADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H](CCc3ccccc3)c3ccccc3)CC2)cc1 ZINC001459839819 1067448205 /nfs/dbraw/zinc/44/82/05/1067448205.db2.gz CVUNXWLWBWCSLJ-LJAQVGFWSA-N 2 0 455.646 4.993 20 0 JJADRP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@](C)(Cc3ccc(Cl)cc3)C(C)C)CC2)cc1 ZINC001460149308 1067565188 /nfs/dbraw/zinc/56/51/88/1067565188.db2.gz IKLDTNPFSLSZNP-HHHXNRCGSA-N 2 0 456.074 4.930 20 0 JJADRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(-c4ccccc4Br)cc3)cn2)CC1 ZINC001461020682 1067763415 /nfs/dbraw/zinc/76/34/15/1067763415.db2.gz IQNODQWSNWNINS-UHFFFAOYSA-N 2 0 451.412 4.553 20 0 JJADRP Cc1ccc(-c2ncc(C[NH2+]Cc3cccc(OCC[N@@H+](C)C4CCOCC4)c3)s2)cc1 ZINC001461138232 1067787759 /nfs/dbraw/zinc/78/77/59/1067787759.db2.gz LYSGOWHLXYNODZ-UHFFFAOYSA-N 2 0 451.636 4.898 20 0 JJADRP CCc1ccc(-c2nn(-c3ccccc3C)cc2C[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC001461170798 1067792287 /nfs/dbraw/zinc/79/22/87/1067792287.db2.gz OHVWKYRHNGGSAB-UHFFFAOYSA-N 2 0 459.682 4.773 20 0 JJADRP C[C@@H](Cc1cc(Br)ccc1F)[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC001461365682 1067839496 /nfs/dbraw/zinc/83/94/96/1067839496.db2.gz SWTXRMPNCSPLEZ-HNNXBMFYSA-N 2 0 454.815 4.714 20 0 JJADRP CN(c1ccccc1C[NH2+]C[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)C1CC[NH+](C)CC1 ZINC001461406454 1067847818 /nfs/dbraw/zinc/84/78/18/1067847818.db2.gz MGWYPTJVEBZPAG-RLWLMLJZSA-N 2 0 459.053 4.792 20 0 JJADRP COc1cc(Br)c(C[NH2+][C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1OC ZINC001461815734 1067941285 /nfs/dbraw/zinc/94/12/85/1067941285.db2.gz HFUZMVYAHUYOED-GIVPXCGWSA-N 2 0 459.428 4.857 20 0 JJADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001461986567 1067975233 /nfs/dbraw/zinc/97/52/33/1067975233.db2.gz DFQPIXMWPRIMDF-UZVYXBEXSA-N 2 0 456.030 4.956 20 0 JJADRP CC[NH+]1CCN(c2cccc(NC3CC[NH+](Cc4ccccc4Br)CC3)c2)CC1 ZINC001462131299 1068011916 /nfs/dbraw/zinc/01/19/16/1068011916.db2.gz WLISUSVYCKLLGD-UHFFFAOYSA-N 2 0 457.460 4.668 20 0 JJADRP COc1cc(C[NH2+]CCCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)c1 ZINC001462563656 1068099034 /nfs/dbraw/zinc/09/90/34/1068099034.db2.gz IHJGDBYVMKQFFO-UHFFFAOYSA-N 2 0 459.553 4.527 20 0 JJADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCC2(F)F)cc1 ZINC001464166002 1068640393 /nfs/dbraw/zinc/64/03/93/1068640393.db2.gz AEECZXYHZVANAV-OFVILXPXSA-N 2 0 455.593 4.835 20 0 JJADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@H](COC)[NH+](Cc4ccccn4)C3)CC2)nc1 ZINC001164713545 720153454 /nfs/dbraw/zinc/15/34/54/720153454.db2.gz RUPZJRKSXLIVPG-CLJLJLNGSA-N 2 0 463.670 4.531 20 0 JJADRP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H](COC)[NH+](Cc4ccccn4)C3)CC2)nc1 ZINC001164713546 720153872 /nfs/dbraw/zinc/15/38/72/720153872.db2.gz RUPZJRKSXLIVPG-FTJBHMTQSA-N 2 0 463.670 4.531 20 0 JJADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)nc1 ZINC001164840812 720635150 /nfs/dbraw/zinc/63/51/50/720635150.db2.gz QXMFKICSMIFJTH-QEGGNFSNSA-N 2 0 450.675 4.593 20 0 JJADRP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3[nH+]ccc4c3ccn4Cc3ccccc3)C2)C1 ZINC001164780117 721355106 /nfs/dbraw/zinc/35/51/06/721355106.db2.gz ZUZTUMBAURDUPF-GDLZYMKVSA-N 2 0 485.632 4.808 20 0 JJADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C2)COCC[NH+](Cc2c(C)noc2C)C3)nc1 ZINC001164785322 721373293 /nfs/dbraw/zinc/37/32/93/721373293.db2.gz RBZKOJGFYSIZKZ-IXCJQBJRSA-N 2 0 481.685 4.742 20 0 JJADRP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164958063 722024853 /nfs/dbraw/zinc/02/48/53/722024853.db2.gz FJRPAGDGBVUYGB-UHFFFAOYSA-N 2 0 473.999 4.544 20 0 JJADRP CC(C)C[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)[NH+](C)C ZINC001359766419 1064391724 /nfs/dbraw/zinc/39/17/24/1064391724.db2.gz NNDCWEXIHQYARR-IFMALSPDSA-N 2 0 473.109 4.885 20 0 JJADRP CC(C)C[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)[NH+](C)C ZINC001359766562 1064392704 /nfs/dbraw/zinc/39/27/04/1064392704.db2.gz PUBZMTVXMLVNGO-OAQYLSRUSA-N 2 0 492.659 4.833 20 0 JJADRP CC(C)Cc1nnc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001359802854 1064471456 /nfs/dbraw/zinc/47/14/56/1064471456.db2.gz XAIYVBUSQOEZTL-DQEYMECFSA-N 2 0 466.718 4.699 20 0 JJADRP CC(C)Cc1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001359807692 1064478088 /nfs/dbraw/zinc/47/80/88/1064478088.db2.gz BABMPSQHYBFVNG-UHFFFAOYSA-N 2 0 458.739 4.691 20 0 JJADRP CC(C)Cc1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001359808253 1064479742 /nfs/dbraw/zinc/47/97/42/1064479742.db2.gz LAROZANOXJQVJG-DEOSSOPVSA-N 2 0 458.739 4.689 20 0 JJADRP CC(C)Cc1nnc(N2CC[NH+](C3CCC3)C[C@@H](C)C2)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001359855284 1064542408 /nfs/dbraw/zinc/54/24/08/1064542408.db2.gz IGGFMNXJQPTWFD-DNQXCXABSA-N 2 0 466.718 4.698 20 0 JJADRP CC(C)Cc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001359860683 1064550019 /nfs/dbraw/zinc/55/00/19/1064550019.db2.gz KZGQOPPAUTXNMK-IBGGVINMSA-N 2 0 466.718 4.698 20 0 JJADRP CC(C)C[N@@H+]1CCC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCC([NH+]3CCCCC3)CC2)C1 ZINC001360010439 1064801658 /nfs/dbraw/zinc/80/16/58/1064801658.db2.gz PVDJSGNORJNJKF-QHCPKHFHSA-N 2 0 458.739 4.689 20 0 JJADRP CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001360017173 1064816756 /nfs/dbraw/zinc/81/67/56/1064816756.db2.gz AXZXRTVDBVSRLM-OAQYLSRUSA-N 2 0 491.099 4.884 20 0 JJADRP CC(C)[N@H+](C)CC1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)[NH+]2CCc3ccccc3C2)CC1 ZINC001360095693 1064970922 /nfs/dbraw/zinc/97/09/22/1064970922.db2.gz OPLDXRBHLCXHLX-HSZRJFAPSA-N 2 0 480.745 4.870 20 0 JJADRP CC(C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001360113990 1064997052 /nfs/dbraw/zinc/99/70/52/1064997052.db2.gz VRLGQSDJXZEVRU-JWQCQUIFSA-N 2 0 488.765 4.629 20 0 JJADRP CC(C)[NH+](CCn1c(-c2ccc(Br)s2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1)C(C)C ZINC001360128377 1065022724 /nfs/dbraw/zinc/02/27/24/1065022724.db2.gz HEFNZOXPLMNLBD-GOSISDBHSA-N 2 0 495.535 4.562 20 0 JJADRP CC(C)[NH+](CCn1c(CCCc2ccccc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)C(C)C ZINC001360134878 1065031033 /nfs/dbraw/zinc/03/10/33/1065031033.db2.gz OUUQIXHDMNCEEV-UHFFFAOYSA-N 2 0 468.734 4.883 20 0 JJADRP C[C@@H](CCn1c(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)nnc1C(C)(C)C)[NH+]1CCCCC1 ZINC001360511791 1065458300 /nfs/dbraw/zinc/45/83/00/1065458300.db2.gz ZYMZFEHZCWIGDT-ZEQRLZLVSA-N 2 0 458.739 4.933 20 0 JJADRP C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1)[NH+](C)C ZINC001360541162 1065527317 /nfs/dbraw/zinc/52/73/17/1065527317.db2.gz IMOJVTNIJHJILU-VQTJNVASSA-N 2 0 477.072 4.780 20 0 JJADRP CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001360596815 1065611155 /nfs/dbraw/zinc/61/11/55/1065611155.db2.gz HROSRXAYOUWPOF-QFIPXVFZSA-N 2 0 470.681 4.763 20 0 JJADRP CC(C)c1nnc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001360597517 1065614508 /nfs/dbraw/zinc/61/45/08/1065614508.db2.gz OPHXXGIGRSGWTJ-XMMPIXPASA-N 2 0 466.718 4.872 20 0 JJADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)o1 ZINC001438338453 1065712166 /nfs/dbraw/zinc/71/21/66/1065712166.db2.gz QLTZYAMNIYSRNQ-IZZNHLLZSA-N 2 0 461.606 4.528 20 0 JJADRP C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001360745375 1065784373 /nfs/dbraw/zinc/78/43/73/1065784373.db2.gz JLAUNRVPLFUBGV-NRFANRHFSA-N 2 0 486.680 4.742 20 0 JJADRP CC(C)[N@@H+]1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001360746026 1065787548 /nfs/dbraw/zinc/78/75/48/1065787548.db2.gz RTYJKRMUYLMTDV-QFIPXVFZSA-N 2 0 486.680 4.742 20 0 JJADRP CC(C)[NH+](CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](C(C)C)CC1)C(C)C ZINC001360760582 1065832643 /nfs/dbraw/zinc/83/26/43/1065832643.db2.gz PDQORXOLRIFRIK-NRFANRHFSA-N 2 0 477.097 4.721 20 0 JJADRP CC(C)[NH+](CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1)C(C)C ZINC001360761175 1065836969 /nfs/dbraw/zinc/83/69/69/1065836969.db2.gz ZVRFWBWOIQEVAU-JTHBVZDNSA-N 2 0 489.108 4.865 20 0 JJADRP CC(C)[NH+](CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)C(C)C ZINC001360773210 1065870963 /nfs/dbraw/zinc/87/09/63/1065870963.db2.gz HUYQPFISZDCDIB-JOCHJYFZSA-N 2 0 488.696 4.987 20 0 JJADRP CC(C)[C@@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](C(C)(C)C)CC1)[NH+]1CCCC1 ZINC001360774847 1065875378 /nfs/dbraw/zinc/87/53/78/1065875378.db2.gz URTCSFFGFWMPMA-FYYLOGMGSA-N 2 0 486.680 4.598 20 0 JJADRP CC(C)(C)c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001360809064 1065922988 /nfs/dbraw/zinc/92/29/88/1065922988.db2.gz ZXPPVNLGIHMJRN-UHFFFAOYSA-N 2 0 458.739 4.790 20 0 JJADRP COc1ccccc1[C@@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CC(C)C)[NH+]1CCCC1 ZINC001440386765 1065936303 /nfs/dbraw/zinc/93/63/03/1065936303.db2.gz JIIQFBAHSALKNM-ZRJLEYOISA-N 2 0 463.666 4.743 20 0 JJADRP Cc1cccc(O[C@@H](C)c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCC[NH+]2CCCCC2)c1C ZINC001360877455 1066023525 /nfs/dbraw/zinc/02/35/25/1066023525.db2.gz LPWRMDXRMYPCCI-DEOSSOPVSA-N 2 0 482.717 4.831 20 0 JJADRP CCCN(C(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001442865205 1066232758 /nfs/dbraw/zinc/23/27/58/1066232758.db2.gz BNVQRQFTIXBAJR-BDYUSTAISA-N 2 0 451.630 4.941 20 0 JJADRP C[NH+](C)C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC001454574091 1066302774 /nfs/dbraw/zinc/30/27/74/1066302774.db2.gz ITQVACKJEJOOMM-PGRDOPGGSA-N 2 0 452.401 4.764 20 0 JJADRP C[NH+](C)C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC001454574089 1066303452 /nfs/dbraw/zinc/30/34/52/1066303452.db2.gz ITQVACKJEJOOMM-GCJKJVERSA-N 2 0 452.401 4.764 20 0 JJADRP Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001361125958 1066381204 /nfs/dbraw/zinc/38/12/04/1066381204.db2.gz IAXJBYWWJOJGJG-SDHOMARFSA-N 2 0 496.744 4.938 20 0 JJADRP CC[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C)[NH+]1CCCC1 ZINC001545964222 1066403472 /nfs/dbraw/zinc/40/34/72/1066403472.db2.gz ABOFRHNDMFJTTD-QWFCFKBJSA-N 2 0 463.045 4.531 20 0 JJADRP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)c1 ZINC001455987645 1066467095 /nfs/dbraw/zinc/46/70/95/1066467095.db2.gz UQODKSMOTSIPAO-AREMUKBSSA-N 2 0 452.618 4.658 20 0 JJADRP O=C(c1ccc(NC2=[NH+]CCC2)cc1)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001444864656 1066514580 /nfs/dbraw/zinc/51/45/80/1066514580.db2.gz NPFNFMSYEGNLJL-HXUWFJFHSA-N 2 0 458.528 4.817 20 0 JJADRP CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)[NH+]1CCCC1 ZINC001545994659 1066794025 /nfs/dbraw/zinc/79/40/25/1066794025.db2.gz DCLQRUIDXNMCDH-DNQXCXABSA-N 2 0 458.739 4.689 20 0 JJADRP CC[C@@H](c1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1CC(C)(C)[NH+]1CCC(OC)CC1)c1ccccc1 ZINC001545730634 1066988286 /nfs/dbraw/zinc/98/82/86/1066988286.db2.gz CUTATAQXPVNIKJ-PPJWLVRDSA-N 2 0 496.744 4.628 20 0 JJADRP CC[C@H](c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@H](C(C)C)[NH+]1CCCC1)c1ccccc1 ZINC001545752111 1067026511 /nfs/dbraw/zinc/02/65/11/1067026511.db2.gz RBTNNOVEHKAJPO-IZZNHLLZSA-N 2 0 466.718 4.861 20 0 JJADRP CC[C@@H](c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@@H](C(C)C)[NH+]1CCCC1)c1ccccc1 ZINC001545752110 1067026724 /nfs/dbraw/zinc/02/67/24/1067026724.db2.gz RBTNNOVEHKAJPO-FTJBHMTQSA-N 2 0 466.718 4.861 20 0 JJADRP CC[C@@H](c1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1CC[N@@H+]1CCC[C@@H]1C)c1ccccc1 ZINC001545752492 1067028088 /nfs/dbraw/zinc/02/80/88/1067028088.db2.gz YITRVHYSTXNMJO-LADGPHEKSA-N 2 0 452.691 4.615 20 0 JJADRP CCC(CC)[C@@H](Cn1c(-c2cccc3cccnc32)nnc1N1CC[NH+](C(C)(C)C)CC1)[NH+](C)C ZINC001545807698 1067127459 /nfs/dbraw/zinc/12/74/59/1067127459.db2.gz MSCFFOFMHRVVDH-XMMPIXPASA-N 2 0 477.701 4.780 20 0 JJADRP CCC(CC)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CC[NH+](C2CCCCC2)CC1)[NH+](C)C ZINC001545809494 1067135615 /nfs/dbraw/zinc/13/56/15/1067135615.db2.gz DUPNVFYQONOWCO-RUZDIDTESA-N 2 0 470.681 4.905 20 0 JJADRP CCC(CC)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+](Cc2ccccc2C)CC1)[NH+](C)C ZINC001545814536 1067142498 /nfs/dbraw/zinc/14/24/98/1067142498.db2.gz CKQLZEGGBDYADJ-CLJLJLNGSA-N 2 0 482.717 4.517 20 0 JJADRP CCC(CC)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1)[NH+](C)C ZINC001545815541 1067145167 /nfs/dbraw/zinc/14/51/67/1067145167.db2.gz RHEYKDPEKPTZII-ARMFNRFLSA-N 2 0 488.765 4.631 20 0 JJADRP CCC(CC)[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[N@@H+](C(C)C)CC1)[NH+](C)C ZINC001545817376 1067149207 /nfs/dbraw/zinc/14/92/07/1067149207.db2.gz IXOZYHACQKFZRZ-XMMPIXPASA-N 2 0 475.125 4.809 20 0 JJADRP CCC(CC)[C@H](Cn1c(CC2CCCC2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1)[NH+](C)C ZINC001545819420 1067154453 /nfs/dbraw/zinc/15/44/53/1067154453.db2.gz FLTLWNDCIUBKIY-OFVILXPXSA-N 2 0 458.739 4.688 20 0 JJADRP CC(C)(CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC001459742433 1067402023 /nfs/dbraw/zinc/40/20/23/1067402023.db2.gz ODNQHFLUJYMPKK-LOSJGSFVSA-N 2 0 454.058 4.794 20 0 JJADRP CC[N@H+](CCC1CC[NH+]([C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@H]2O)CC1)CC(C)C ZINC001459813981 1067435057 /nfs/dbraw/zinc/43/50/57/1067435057.db2.gz RGGJRXLCEXNUGO-JWQCQUIFSA-N 2 0 459.675 4.924 20 0 JJADRP C[NH+](C)Cc1ccc(C[N@H+](C)CCOc2c(Br)cccc2Br)cc1 ZINC001459875531 1067469425 /nfs/dbraw/zinc/46/94/25/1067469425.db2.gz DQHKMVLCTOYTMF-UHFFFAOYSA-N 2 0 456.222 4.784 20 0 JJADRP O=C(CC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)Nc1cccc(Br)c1 ZINC001459894350 1067477151 /nfs/dbraw/zinc/47/71/51/1067477151.db2.gz YTWRGRBZBUDUHG-UHFFFAOYSA-N 2 0 456.428 4.766 20 0 JJADRP O=C(C[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001459990050 1067517142 /nfs/dbraw/zinc/51/71/42/1067517142.db2.gz XISYLBFYHOBTCK-HDYLNDSGSA-N 2 0 454.058 4.984 20 0 JJADRP C[NH+](C)[C@H](CNC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCCCC1)c1ccccc1 ZINC001460409842 1067629847 /nfs/dbraw/zinc/62/98/47/1067629847.db2.gz MQCCFWNQMMTBJY-JOCHJYFZSA-N 2 0 458.444 4.617 20 0 JJADRP CCOC(=O)c1c2c(sc1NC(=O)C[N@H+](C)C[C@@H](C)C(C)(C)C)C(C)(C)[NH2+]C(C)(C)C2 ZINC001460742186 1067713296 /nfs/dbraw/zinc/71/32/96/1067713296.db2.gz BNIBFNDUFDVIAC-OAHLLOKOSA-N 2 0 451.677 4.637 20 0 JJADRP C[C@@]1([NH2+]CCCOc2ccc(S(C)(=O)=O)cc2)CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001460876654 1067740491 /nfs/dbraw/zinc/74/04/91/1067740491.db2.gz XDRWTXPBMMUULE-WUFINQPMSA-N 2 0 478.658 4.507 20 0 JJADRP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(Br)cc3C(F)(F)F)cc2)CC1 ZINC001461161099 1067791439 /nfs/dbraw/zinc/79/14/39/1067791439.db2.gz ROAWLWTZANLUEB-UHFFFAOYSA-N 2 0 457.334 4.714 20 0 JJADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC001461177010 1067793130 /nfs/dbraw/zinc/79/31/30/1067793130.db2.gz GETHVIGNPPXCPU-GOSISDBHSA-N 2 0 457.594 4.560 20 0 JJADRP C[NH+](C)Cc1ccc(C[NH2+]CCc2cccc(OCc3ccccc3)c2)c2c1OC(F)(F)O2 ZINC001461346315 1067835158 /nfs/dbraw/zinc/83/51/58/1067835158.db2.gz HWAXBHWJJLRQII-UHFFFAOYSA-N 2 0 454.517 4.981 20 0 JJADRP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3cc(Cl)c4c(c3)OCCCO4)cc2)C[C@@H]1C ZINC001461399320 1067846275 /nfs/dbraw/zinc/84/62/75/1067846275.db2.gz GTKVMTCMUHSKIL-PMACEKPBSA-N 2 0 459.030 4.800 20 0 JJADRP Brc1cccc2c(C[NH2+]CCc3ccc(OCC[NH+]4CCCC4)cc3)ccnc12 ZINC001461397979 1067846288 /nfs/dbraw/zinc/84/62/88/1067846288.db2.gz JCVYZOFFEMZDAS-UHFFFAOYSA-N 2 0 454.412 4.804 20 0 JJADRP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3cccc(Br)c3OC(F)F)cc2)CC1 ZINC001461491817 1067874557 /nfs/dbraw/zinc/87/45/57/1067874557.db2.gz CFNWWQADNXQMBL-UHFFFAOYSA-N 2 0 455.343 4.813 20 0 JJADRP CN(Cc1ccccc1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)OC(C)(C)C ZINC001461614795 1067902258 /nfs/dbraw/zinc/90/22/58/1067902258.db2.gz BAHZEIWNMHMNKW-UHFFFAOYSA-N 2 0 453.627 4.818 20 0 JJADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CCC(C)(C)CN2C(=O)OC(C)(C)C)CC1 ZINC001461691865 1067919119 /nfs/dbraw/zinc/91/91/19/1067919119.db2.gz KSOVYBWSZOCZFE-HSZRJFAPSA-N 2 0 458.691 4.734 20 0 JJADRP Ic1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC001461820935 1067941706 /nfs/dbraw/zinc/94/17/06/1067941706.db2.gz YBLWOFDICGCCPC-FGTMMUONSA-N 2 0 452.405 4.743 20 0 JJADRP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccc(N3CCC[C@H](C(=O)OC(C)(C)C)C3)o2)n1 ZINC001461863002 1067949697 /nfs/dbraw/zinc/94/96/97/1067949697.db2.gz AFAIKXWHMPKGLU-LEWJYISDSA-N 2 0 454.615 4.618 20 0 JJADRP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccc(N3CCC[C@@H](C(=O)OC(C)(C)C)C3)o2)n1 ZINC001461863004 1067949770 /nfs/dbraw/zinc/94/97/70/1067949770.db2.gz AFAIKXWHMPKGLU-RTWAWAEBSA-N 2 0 454.615 4.618 20 0 JJADRP C[NH+]1CCN(CC[N@H+](CCC2CCCCCC2)Cc2ccc(Br)cc2F)CC1 ZINC001462200420 1068027898 /nfs/dbraw/zinc/02/78/98/1068027898.db2.gz IMUZKRAYKSLWNE-UHFFFAOYSA-N 2 0 454.472 4.998 20 0 JJADRP COC(=O)[C@@H](C)Oc1ccc(C[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001462256257 1068039200 /nfs/dbraw/zinc/03/92/00/1068039200.db2.gz AWICBAQRIAXOPJ-QFQXNSOFSA-N 2 0 450.623 4.750 20 0 JJADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC001462283439 1068043701 /nfs/dbraw/zinc/04/37/01/1068043701.db2.gz MHMXPEGTDHRQEA-UHFFFAOYSA-N 2 0 455.817 4.517 20 0 JJADRP O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCC4(CCCC[NH2+]4)CC3)c21 ZINC001164386946 718803328 /nfs/dbraw/zinc/80/33/28/718803328.db2.gz HSBLGBYFNGDCHO-UHFFFAOYSA-N 2 0 481.040 4.509 20 0 JJADRP CC[N@@H+]1CCCC[C@H]1c1ccc(N(Cc2cccnc2)c2ccc3nc(C4CC[NH2+]CC4)nn3c2)nc1 ZINC001164631578 719138559 /nfs/dbraw/zinc/13/85/59/719138559.db2.gz NVTLBDACMZDRIG-SANMLTNESA-N 2 0 496.663 4.872 20 0 JJADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N([C@@H]2CCC23CC[NH2+]CC3)S(=O)(=O)c2ccccc2)nc1 ZINC001164688595 719592454 /nfs/dbraw/zinc/59/24/54/719592454.db2.gz YBDTXBMVNUFRJN-JWQCQUIFSA-N 2 0 482.694 4.746 20 0 JJADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N([C@H]2CCC23CC[NH2+]CC3)S(=O)(=O)c2ccccc2)nc1 ZINC001164688598 719592596 /nfs/dbraw/zinc/59/25/96/719592596.db2.gz YBDTXBMVNUFRJN-RPBOFIJWSA-N 2 0 482.694 4.746 20 0 JJADRP Cc1cc2ccccc2c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)[nH+]1 ZINC001164686259 719673243 /nfs/dbraw/zinc/67/32/43/719673243.db2.gz WVYPPJGCBWYISG-QHCPKHFHSA-N 2 0 456.634 4.637 20 0 JJADRP Cc1cc2ccccc2c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)[nH+]1 ZINC001164686253 719673256 /nfs/dbraw/zinc/67/32/56/719673256.db2.gz WVYPPJGCBWYISG-HSZRJFAPSA-N 2 0 456.634 4.637 20 0 JJADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]c(N3CCCC3)cc3ccccc31)CC2 ZINC001164714865 720145417 /nfs/dbraw/zinc/14/54/17/720145417.db2.gz ZXRKIFJOYHYXOX-VWLOTQADSA-N 2 0 471.649 4.738 20 0 JJADRP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164748527 720915655 /nfs/dbraw/zinc/91/56/55/720915655.db2.gz GRJPDGUQLOEWSS-JTSJOTPCSA-N 2 0 497.687 4.985 20 0 JJADRP Clc1ncc2c(c1N1CC3(C1)CC[N@H+](CC1CC1)C3)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164767873 721295240 /nfs/dbraw/zinc/29/52/40/721295240.db2.gz AQBLDXGVOIFQMA-UHFFFAOYSA-N 2 0 479.068 4.679 20 0 JJADRP Cc1cccc(N(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164777411 721329706 /nfs/dbraw/zinc/32/97/06/721329706.db2.gz MZTLFIAWPOVMNI-LITSAYRRSA-N 2 0 454.618 4.607 20 0 JJADRP Cc1ccc(N(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001164968260 722078617 /nfs/dbraw/zinc/07/86/17/722078617.db2.gz YHWLVSFCJYXBJM-UHFFFAOYSA-N 2 0 476.628 4.896 20 0 JJADRP CC(C)Cc1nnc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1C[C@@H]1[NH+](C)CCCC1(C)C ZINC001359778081 1064423014 /nfs/dbraw/zinc/42/30/14/1064423014.db2.gz YJFNYFNICMTVNJ-RPBOFIJWSA-N 2 0 466.718 4.698 20 0 JJADRP CC(C)Cc1nnc(N2CCC(C[NH+](C)Cc3ccccc3)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001359807754 1064478230 /nfs/dbraw/zinc/47/82/30/1064478230.db2.gz CCIRDNJLQPJAHQ-HHHXNRCGSA-N 2 0 480.745 4.945 20 0 JJADRP CC(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001359833433 1064519076 /nfs/dbraw/zinc/51/90/76/1064519076.db2.gz XOGINYUAQMDGAZ-ISJGIBHGSA-N 2 0 458.739 4.545 20 0 JJADRP CC(C)Cc1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001359841680 1064529166 /nfs/dbraw/zinc/52/91/66/1064529166.db2.gz YABDUCWVCSPXII-QDPGVEIFSA-N 2 0 484.708 4.839 20 0 JJADRP CC(C)Cc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001359861576 1064551815 /nfs/dbraw/zinc/55/18/15/1064551815.db2.gz ZOEDTTLRLHITLK-GGAORHGYSA-N 2 0 466.699 4.552 20 0 JJADRP CC(C)CC[NH+]1CCC(Cn2c(C(C)C)nnc2N2CC[NH+](CCc3cccs3)CC2)CC1 ZINC001359947507 1064696455 /nfs/dbraw/zinc/69/64/55/1064696455.db2.gz NIVHLHAERHJSPG-UHFFFAOYSA-N 2 0 472.747 4.586 20 0 JJADRP CC(C)CC[NH+]1CCC(Cn2c(-c3ccc(Cl)cc3)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001359948423 1064700123 /nfs/dbraw/zinc/70/01/23/1064700123.db2.gz WCXIXMHJLPJRKW-UHFFFAOYSA-N 2 0 473.109 4.887 20 0 JJADRP CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001360018584 1064820085 /nfs/dbraw/zinc/82/00/85/1064820085.db2.gz SIZRPEMHDDLFER-UHFFFAOYSA-N 2 0 479.500 4.762 20 0 JJADRP CC(C)C[NH+]1CCN(c2nnc(CC(C)(C)C)n2CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001360028196 1064829420 /nfs/dbraw/zinc/82/94/20/1064829420.db2.gz YRFVRXFXJMWQOR-AHWVRZQESA-N 2 0 480.745 4.945 20 0 JJADRP CC(C)[N@H+](C)Cc1ccccc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001360092165 1064960046 /nfs/dbraw/zinc/96/00/46/1064960046.db2.gz UYIHMIMWSKSIQP-UHFFFAOYSA-N 2 0 496.103 4.803 20 0 JJADRP CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cccc4cccnc43)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001360092902 1064964828 /nfs/dbraw/zinc/96/48/28/1064964828.db2.gz WWWFRDQFSHTSMW-UHFFFAOYSA-N 2 0 477.701 4.638 20 0 JJADRP CC(C)[N@H+](C)CCCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001360100666 1064979968 /nfs/dbraw/zinc/97/99/68/1064979968.db2.gz RVXHHVFBKITLRD-UHFFFAOYSA-N 2 0 465.690 4.715 20 0 JJADRP CC(C)[NH+](CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1)C(C)C ZINC001360123100 1065013391 /nfs/dbraw/zinc/01/33/91/1065013391.db2.gz CCPZZFXPBWXTDT-OAQYLSRUSA-N 2 0 477.072 4.921 20 0 JJADRP CC(C)[N@@H+]1CCC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001360141611 1065041263 /nfs/dbraw/zinc/04/12/63/1065041263.db2.gz QRSWRVRAFDYMAQ-JOCHJYFZSA-N 2 0 473.109 4.563 20 0 JJADRP CC(C)[NH+](CCn1c(-c2ccccc2Br)nnc1N1CCC[N@@H+](C(C)C)CC1)C(C)C ZINC001360144467 1065046082 /nfs/dbraw/zinc/04/60/82/1065046082.db2.gz JWLQKCIZKUYRLQ-UHFFFAOYSA-N 2 0 491.522 4.747 20 0 JJADRP CC(C)[NH2+]C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001360308957 1065144568 /nfs/dbraw/zinc/14/45/68/1065144568.db2.gz PINGZDHPZGXHCG-NRFANRHFSA-N 2 0 488.671 4.769 20 0 JJADRP CC(C)[NH2+]C1CCN(c2nnc(Cc3ccsc3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001360309641 1065145960 /nfs/dbraw/zinc/14/59/60/1065145960.db2.gz IFTBSLQBEXTLIU-NRFANRHFSA-N 2 0 458.720 4.552 20 0 JJADRP C[C@H](CCn1c(N(C)C2CC[NH+](Cc3ccccc3)CC2)nnc1C(C)(C)C)[NH+]1CCCCC1 ZINC001360511410 1065456394 /nfs/dbraw/zinc/45/63/94/1065456394.db2.gz XFDJGGWBURSXIC-HSZRJFAPSA-N 2 0 466.718 4.941 20 0 JJADRP C[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001360537150 1065520593 /nfs/dbraw/zinc/52/05/93/1065520593.db2.gz XUYNBVKNUKRAKQ-IBGZPJMESA-N 2 0 459.082 4.639 20 0 JJADRP C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)[NH+](C)C1CC1 ZINC001360540692 1065526030 /nfs/dbraw/zinc/52/60/30/1065526030.db2.gz FAYGFXOCRAJNAN-QGZVFWFLSA-N 2 0 463.045 4.531 20 0 JJADRP C[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001360586934 1065587857 /nfs/dbraw/zinc/58/78/57/1065587857.db2.gz IZVRYUHQVOQEHJ-GOSISDBHSA-N 2 0 477.122 4.627 20 0 JJADRP C[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)C[NH+]1CCCC1 ZINC001360592515 1065601800 /nfs/dbraw/zinc/60/18/00/1065601800.db2.gz WZJXMJOODKMPDM-HXUWFJFHSA-N 2 0 490.643 4.589 20 0 JJADRP CC(C)c1nnc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001360597516 1065614656 /nfs/dbraw/zinc/61/46/56/1065614656.db2.gz OPHXXGIGRSGWTJ-DEOSSOPVSA-N 2 0 466.718 4.872 20 0 JJADRP C[C@@H](Cn1c(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)nnc1C(C)(C)C)C[NH+]1CCCCC1 ZINC001360603650 1065628833 /nfs/dbraw/zinc/62/88/33/1065628833.db2.gz WHUKVTUOWWTLFG-RPWUZVMVSA-N 2 0 466.718 4.798 20 0 JJADRP C[C@@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1)[NH+](C)C ZINC001360743875 1065780305 /nfs/dbraw/zinc/78/03/05/1065780305.db2.gz LAGZZVGJELFXNS-VXKWHMMOSA-N 2 0 486.680 4.600 20 0 JJADRP CC(C)[N@H+](C)CCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001360744126 1065780944 /nfs/dbraw/zinc/78/09/44/1065780944.db2.gz OGDFJXHMKMZSHA-QFIPXVFZSA-N 2 0 486.680 4.742 20 0 JJADRP CC(C)[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001360760049 1065830615 /nfs/dbraw/zinc/83/06/15/1065830615.db2.gz GQMPQMCPLOCXIW-OAQYLSRUSA-N 2 0 489.108 4.866 20 0 JJADRP C[C@@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001360773475 1065871841 /nfs/dbraw/zinc/87/18/41/1065871841.db2.gz IUMCULCHMHILNL-SFTDATJTSA-N 2 0 486.680 4.598 20 0 JJADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)Cc1ccccc1 ZINC001440676768 1065963220 /nfs/dbraw/zinc/96/32/20/1065963220.db2.gz PKDPJQUJXUYVGP-OZNIXHKMSA-N 2 0 476.064 4.845 20 0 JJADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1)c1cccc(F)c1 ZINC001440677937 1065963703 /nfs/dbraw/zinc/96/37/03/1065963703.db2.gz VOOZFNZQGUXKMT-WXFUMESZSA-N 2 0 451.611 4.522 20 0 JJADRP Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](CC(C)C)CC3)n2CC[N@@H+]2CCCC(C)(C)C2)c1C ZINC001360878657 1066026400 /nfs/dbraw/zinc/02/64/00/1066026400.db2.gz XPXCOASRQNDHFS-RUZDIDTESA-N 2 0 496.744 4.935 20 0 JJADRP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC001360996405 1066175083 /nfs/dbraw/zinc/17/50/83/1066175083.db2.gz JEUCDAZUHSUIAY-DNRQZRRGSA-N 2 0 455.668 4.814 20 0 JJADRP Cc1cc(C)cc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC001361030901 1066238629 /nfs/dbraw/zinc/23/86/29/1066238629.db2.gz AIQIPQFLESDXMX-XMMPIXPASA-N 2 0 482.717 4.705 20 0 JJADRP C[NH+](C)C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC001454574093 1066302845 /nfs/dbraw/zinc/30/28/45/1066302845.db2.gz ITQVACKJEJOOMM-XMSQKQJNSA-N 2 0 452.401 4.764 20 0 JJADRP Cc1ccc(C(C)C)c(OCc2nnc(N3CC[NH+](C4CCC(C)CC4)CC3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001361129709 1066393453 /nfs/dbraw/zinc/39/34/53/1066393453.db2.gz CEGJFDCLROHGOG-KWKWTDQQSA-N 2 0 496.744 4.940 20 0 JJADRP Cc1ccc([C@@H](Cn2c(CC3CCCC3)nnc2N2CCC([NH2+]C(C)C)CC2)[NH+](C)C)cc1 ZINC001361141856 1066422707 /nfs/dbraw/zinc/42/27/07/1066422707.db2.gz RNFZCJAQFNFPSB-RUZDIDTESA-N 2 0 452.691 4.589 20 0 JJADRP Cc1ccc(C)c(OCc2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CC[N@@H+](C)C2CCCC2)c1 ZINC001361159222 1066463986 /nfs/dbraw/zinc/46/39/86/1066463986.db2.gz SULCVMIYWHWWTJ-UHFFFAOYSA-N 2 0 482.717 4.659 20 0 JJADRP Cc1ccc(C)c(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC001361159894 1066465771 /nfs/dbraw/zinc/46/57/71/1066465771.db2.gz NRTATXXKWXQYLJ-XMMPIXPASA-N 2 0 482.717 4.515 20 0 JJADRP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001361192142 1066519238 /nfs/dbraw/zinc/51/92/38/1066519238.db2.gz HZWFIICPBAUOLH-NOZRDPDXSA-N 2 0 459.556 4.737 20 0 JJADRP Cc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)o1 ZINC001361226008 1066564395 /nfs/dbraw/zinc/56/43/95/1066564395.db2.gz SZXSEFHJXBXDIQ-ZBLYBZFDSA-N 2 0 470.706 4.915 20 0 JJADRP CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@H](C[NH+](CC)CC)C1)[N@@H+]1CCc2ccccc2C1 ZINC001545994819 1066796853 /nfs/dbraw/zinc/79/68/53/1066796853.db2.gz GUBPNMRSDCZJTC-ZEQKJWHPSA-N 2 0 480.745 4.872 20 0 JJADRP Cc1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001492847281 1066957774 /nfs/dbraw/zinc/95/77/74/1066957774.db2.gz JHWUMIFHQZXGKD-VWNXMTODSA-N 2 0 452.691 4.808 20 0 JJADRP CC[C@H](Cn1c(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001546014391 1067009990 /nfs/dbraw/zinc/00/99/90/1067009990.db2.gz HXMZYSLMPLFVEU-ISKFKSNPSA-N 2 0 458.739 4.931 20 0 JJADRP CC[C@@H](c1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC001545752365 1067027710 /nfs/dbraw/zinc/02/77/10/1067027710.db2.gz WCFIZMYLNGRKLD-BFLUCZKCSA-N 2 0 466.718 4.861 20 0 JJADRP CC[C@@H](c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1CC1([NH+](C)C)CCCCC1)c1ccccc1 ZINC001545758412 1067037672 /nfs/dbraw/zinc/03/76/72/1067037672.db2.gz GSTSANMXHYERRQ-ISKFKSNPSA-N 2 0 452.691 4.615 20 0 JJADRP O=C(C[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001459990045 1067517271 /nfs/dbraw/zinc/51/72/71/1067517271.db2.gz XISYLBFYHOBTCK-DNRSQYFGSA-N 2 0 454.058 4.984 20 0 JJADRP CCOc1cccc(F)c1C[NH2+]CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001461034432 1067766119 /nfs/dbraw/zinc/76/61/19/1067766119.db2.gz DAJOGKYCLOSADH-UHFFFAOYSA-N 2 0 453.524 4.935 20 0 JJADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNCc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)C1 ZINC001461048528 1067769308 /nfs/dbraw/zinc/76/93/08/1067769308.db2.gz KTFNTCXKKBAXAK-RTBURBONSA-N 2 0 459.581 4.837 20 0 JJADRP Ic1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC001461382482 1067843432 /nfs/dbraw/zinc/84/34/32/1067843432.db2.gz NKEMKAZPBPNCDM-BHIYHBOVSA-N 2 0 452.405 4.743 20 0 JJADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3cc(Cl)c4c(c3)OCCCO4)cc2)C[C@H]1C ZINC001461399327 1067846307 /nfs/dbraw/zinc/84/63/07/1067846307.db2.gz GTKVMTCMUHSKIL-WOJBJXKFSA-N 2 0 459.030 4.800 20 0 JJADRP CN(c1ccccc1C[NH2+]C[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)C1CC[NH+](C)CC1 ZINC001461406437 1067847600 /nfs/dbraw/zinc/84/76/00/1067847600.db2.gz MGWYPTJVEBZPAG-LVXARBLLSA-N 2 0 459.053 4.792 20 0 JJADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)c2c1OC(F)(F)O2 ZINC001461418470 1067851683 /nfs/dbraw/zinc/85/16/83/1067851683.db2.gz SBMOOVAUFKFBEA-UHFFFAOYSA-N 2 0 452.299 4.603 20 0 JJADRP CC(C)(C)OC(=O)N[C@H](C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)CC(F)(F)F ZINC001461965162 1067970430 /nfs/dbraw/zinc/97/04/30/1067970430.db2.gz NRBALPUUFWCLNR-FQEVSTJZSA-N 2 0 455.565 4.820 20 0 JJADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001461986559 1067975384 /nfs/dbraw/zinc/97/53/84/1067975384.db2.gz DFQPIXMWPRIMDF-CVNLYIMZSA-N 2 0 456.030 4.956 20 0 JJADRP C[C@H](CCc1cncc2ccccc21)[NH2+]CCCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001462562581 1068098553 /nfs/dbraw/zinc/09/85/53/1068098553.db2.gz GXABDIDUCGNVHE-JOCHJYFZSA-N 2 0 454.659 4.869 20 0 JJADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2C[NH+](Cc3ccccc3)CCC2(F)F)cc1 ZINC001464166010 1068640425 /nfs/dbraw/zinc/64/04/25/1068640425.db2.gz AEECZXYHZVANAV-SQJMNOBHSA-N 2 0 455.593 4.835 20 0 JJADRP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164748525 720917222 /nfs/dbraw/zinc/91/72/22/720917222.db2.gz GRJPDGUQLOEWSS-JOMNFKBKSA-N 2 0 497.687 4.985 20 0 JJADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(C2)COCC[NH+](Cc2c(C)noc2C)C3)nc1 ZINC001164785324 721374003 /nfs/dbraw/zinc/37/40/03/721374003.db2.gz RBZKOJGFYSIZKZ-XTEPFMGCSA-N 2 0 481.685 4.742 20 0 JJADRP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)nc1 ZINC001164913810 721734580 /nfs/dbraw/zinc/73/45/80/721734580.db2.gz XYJGWNNNEDCRHG-UKILVPOCSA-N 2 0 455.597 4.761 20 0 JJADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c(n3)CC[NH+](Cc3ccccc3)C4)C[C@H]21 ZINC001165017885 721807598 /nfs/dbraw/zinc/80/75/98/721807598.db2.gz BALLOCZUKUQJGB-WOEHHYBBSA-N 2 0 467.661 4.772 20 0 JJADRP c1ccc(C[NH+]2CCc3nc(N4CCC5(CC[N@@H+](Cc6cccnc6)C5)CC4)ccc3C2)cc1 ZINC001164951757 722015812 /nfs/dbraw/zinc/01/58/12/722015812.db2.gz DHKCVPCUBLLCBN-UHFFFAOYSA-N 2 0 453.634 4.527 20 0 JJADRP CC(C)C[C@H](Cn1c(C2CCCC2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC001359770018 1064400974 /nfs/dbraw/zinc/40/09/74/1064400974.db2.gz YBKHWQHLWPVODP-WIOPSUGQSA-N 2 0 452.691 4.623 20 0 JJADRP CC(C)Cc1nnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001359777747 1064422040 /nfs/dbraw/zinc/42/20/40/1064422040.db2.gz QMAPBBJRXZLNGT-RUZDIDTESA-N 2 0 480.726 4.942 20 0 JJADRP CC(C)Cc1nnc(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001359784291 1064436916 /nfs/dbraw/zinc/43/69/16/1064436916.db2.gz XJVMEYITPIWGSR-VWLOTQADSA-N 2 0 466.718 4.699 20 0 JJADRP CC(C)Cc1nnc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001359802856 1064471580 /nfs/dbraw/zinc/47/15/80/1064471580.db2.gz XAIYVBUSQOEZTL-LOSJGSFVSA-N 2 0 466.718 4.699 20 0 JJADRP CC(C)Cc1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001359808254 1064479850 /nfs/dbraw/zinc/47/98/50/1064479850.db2.gz LAROZANOXJQVJG-XMMPIXPASA-N 2 0 458.739 4.689 20 0 JJADRP CC(C)Cc1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001359833521 1064519845 /nfs/dbraw/zinc/51/98/45/1064519845.db2.gz YPRVKLDHMUEPCQ-RPBOFIJWSA-N 2 0 458.739 4.689 20 0 JJADRP CC(C)Cc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001359860685 1064550369 /nfs/dbraw/zinc/55/03/69/1064550369.db2.gz KZGQOPPAUTXNMK-QONNDPFASA-N 2 0 466.718 4.698 20 0 JJADRP CC(C)C[N@@H+]1CCC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001360010350 1064801792 /nfs/dbraw/zinc/80/17/92/1064801792.db2.gz ONVFSCCVVOBUKD-HSZRJFAPSA-N 2 0 487.136 4.811 20 0 JJADRP CC(C)C[NH+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001360015780 1064814762 /nfs/dbraw/zinc/81/47/62/1064814762.db2.gz SMHNLXVSBAGTBP-GOTSBHOMSA-N 2 0 486.680 4.600 20 0 JJADRP CC(C)C[NH+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001360015783 1064814837 /nfs/dbraw/zinc/81/48/37/1064814837.db2.gz SMHNLXVSBAGTBP-XZOQPEGZSA-N 2 0 486.680 4.600 20 0 JJADRP CC(C)C[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001360030532 1064832890 /nfs/dbraw/zinc/83/28/90/1064832890.db2.gz LHHICZYCJZBXQD-QFIPXVFZSA-N 2 0 488.671 4.580 20 0 JJADRP CC(C)[N@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001360098044 1064977452 /nfs/dbraw/zinc/97/74/52/1064977452.db2.gz GYQKZPVDQJWPFB-UHFFFAOYSA-N 2 0 459.082 4.784 20 0 JJADRP CC(C)[N@H+](C)CCCn1c(Cc2ccsc2)nnc1N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1 ZINC001360101493 1064981586 /nfs/dbraw/zinc/98/15/86/1064981586.db2.gz QQKZGXGZBNFFMQ-HSZRJFAPSA-N 2 0 480.726 4.762 20 0 JJADRP CC(C)[NH+](CCCn1c(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)nnc1C(C)(C)C)C(C)C ZINC001360126181 1065019639 /nfs/dbraw/zinc/01/96/39/1065019639.db2.gz JZXLJPAVCOAWOE-PLQXJYEYSA-N 2 0 466.718 4.653 20 0 JJADRP CC(C)[NH+](CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1)C(C)C ZINC001360126390 1065020401 /nfs/dbraw/zinc/02/04/01/1065020401.db2.gz PSJVVYWBFFZPKL-XMMPIXPASA-N 2 0 473.109 4.706 20 0 JJADRP CC(C)[NH+](CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1)C(C)C ZINC001360132218 1065027206 /nfs/dbraw/zinc/02/72/06/1065027206.db2.gz GYYWRPBPTCLYTB-UHFFFAOYSA-N 2 0 470.681 4.582 20 0 JJADRP CC(C)[N@@H+]1CCC[C@H](Cn2c(N3CCC[C@H](C[NH+]4CCCCCC4)C3)nnc2C(C)(C)C)C1 ZINC001360140336 1065037643 /nfs/dbraw/zinc/03/76/43/1065037643.db2.gz BYVDPHZCBRKVIJ-RPWUZVMVSA-N 2 0 458.739 4.788 20 0 JJADRP CC(C)[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001360149473 1065053051 /nfs/dbraw/zinc/05/30/51/1065053051.db2.gz PXZHFYFUSAXXRM-UHFFFAOYSA-N 2 0 489.506 4.503 20 0 JJADRP CC(C)[NH+]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001360153531 1065056104 /nfs/dbraw/zinc/05/61/04/1065056104.db2.gz YKDLVCKLPSAWLI-UHFFFAOYSA-N 2 0 491.149 4.876 20 0 JJADRP CC(C)[NH2+]C1CCN(c2nnc(-c3ccccc3F)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001360306704 1065142028 /nfs/dbraw/zinc/14/20/28/1065142028.db2.gz INYUNQAMZKAEBW-UHFFFAOYSA-N 2 0 456.654 4.707 20 0 JJADRP CC(C)[NH2+]C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001360309396 1065145207 /nfs/dbraw/zinc/14/52/07/1065145207.db2.gz CXYJPULMCNYDBU-QFIPXVFZSA-N 2 0 477.122 4.531 20 0 JJADRP C[C@@H](CCn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001360510097 1065452597 /nfs/dbraw/zinc/45/25/97/1065452597.db2.gz DKZIYBFHOSQBEH-QHCPKHFHSA-N 2 0 484.708 4.831 20 0 JJADRP C[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1)[NH+](C)C ZINC001360537159 1065520570 /nfs/dbraw/zinc/52/05/70/1065520570.db2.gz XZKFKEZJOOHHSZ-HXUWFJFHSA-N 2 0 459.082 4.641 20 0 JJADRP C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[NH+](C)C ZINC001360541158 1065527365 /nfs/dbraw/zinc/52/73/65/1065527365.db2.gz IMOJVTNIJHJILU-PMACEKPBSA-N 2 0 477.072 4.780 20 0 JJADRP C[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1)[NH+](C)C ZINC001360542067 1065530870 /nfs/dbraw/zinc/53/08/70/1065530870.db2.gz XAKSJVOAPZCRBH-YADHBBJMSA-N 2 0 452.691 4.505 20 0 JJADRP C[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)C[NH+]1CCCC1 ZINC001360592514 1065601689 /nfs/dbraw/zinc/60/16/89/1065601689.db2.gz WZJXMJOODKMPDM-FQEVSTJZSA-N 2 0 490.643 4.589 20 0 JJADRP C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)C[NH+]1CCCC1 ZINC001360592831 1065601765 /nfs/dbraw/zinc/60/17/65/1065601765.db2.gz ACUFVVURBNYWHL-TZRRMPRUSA-N 2 0 458.739 4.689 20 0 JJADRP C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C(C)(C)C)CC1)C[NH+]1CCCCC1 ZINC001360598291 1065617486 /nfs/dbraw/zinc/61/74/86/1065617486.db2.gz WJGWEBKXINPNLX-LJQANCHMSA-N 2 0 477.072 4.780 20 0 JJADRP C[C@@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[NH+](C)C ZINC001360745705 1065785771 /nfs/dbraw/zinc/78/57/71/1065785771.db2.gz OTPYLWPGIIEVAI-VABKMULXSA-N 2 0 486.680 4.600 20 0 JJADRP CC(C)[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001360760048 1065830419 /nfs/dbraw/zinc/83/04/19/1065830419.db2.gz GQMPQMCPLOCXIW-NRFANRHFSA-N 2 0 489.108 4.866 20 0 JJADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001440677713 1065963843 /nfs/dbraw/zinc/96/38/43/1065963843.db2.gz APGLZGZHHKAEDL-JWQCQUIFSA-N 2 0 462.663 4.517 20 0 JJADRP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC001360996404 1066175180 /nfs/dbraw/zinc/17/51/80/1066175180.db2.gz JEUCDAZUHSUIAY-CZSZKKDXSA-N 2 0 455.668 4.814 20 0 JJADRP CCCN(C(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001442865211 1066233821 /nfs/dbraw/zinc/23/38/21/1066233821.db2.gz BNVQRQFTIXBAJR-VPUSJEBWSA-N 2 0 451.630 4.941 20 0 JJADRP Cc1cc(C)cc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC001361034965 1066251800 /nfs/dbraw/zinc/25/18/00/1066251800.db2.gz LEOCNAWSWYGWEC-RUZDIDTESA-N 2 0 482.717 4.515 20 0 JJADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(Cl)ccc2Sc2ccc(Cl)cc2)C[C@H]1C[NH+](C)C ZINC001454704145 1066321958 /nfs/dbraw/zinc/32/19/58/1066321958.db2.gz RGMNQAMVTQXKOO-IAGOWNOFSA-N 2 0 466.478 4.956 20 0 JJADRP O=C([C@@H]1CCC[N@H+](CCc2ccccc2)C1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC001443537675 1066326618 /nfs/dbraw/zinc/32/66/18/1066326618.db2.gz JCGRNJOVVZMZJJ-RUZDIDTESA-N 2 0 454.058 4.719 20 0 JJADRP CC[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[N@@H+](C(C)C)CC1)[NH+]1CCCC1 ZINC001545961208 1066351557 /nfs/dbraw/zinc/35/15/57/1066351557.db2.gz QUCSMLQPJCVTEA-QFIPXVFZSA-N 2 0 489.506 4.503 20 0 JJADRP CN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1)c1ccc(OCC[NH+](C)C)cc1 ZINC001443904417 1066383775 /nfs/dbraw/zinc/38/37/75/1066383775.db2.gz GPWUROCLYJERRY-JWQCQUIFSA-N 2 0 463.647 4.567 20 0 JJADRP CC[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C)[NH+]1CCCC1 ZINC001545964220 1066403365 /nfs/dbraw/zinc/40/33/65/1066403365.db2.gz ABOFRHNDMFJTTD-CMKODMSKSA-N 2 0 463.045 4.531 20 0 JJADRP Cc1ccc([C@@H](Cn2c(N3CCC(CCC[NH+]4CCOCC4)CC3)nnc2C(C)(C)C)[NH+](C)C)cc1 ZINC001361140784 1066418768 /nfs/dbraw/zinc/41/87/68/1066418768.db2.gz GTQWYTOFLDHHAE-AREMUKBSSA-N 2 0 496.744 4.516 20 0 JJADRP CC[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](C(C)C)CC1)[NH+]1CCCC1 ZINC001545965328 1066420940 /nfs/dbraw/zinc/42/09/40/1066420940.db2.gz VPXAUIZDKVFRFO-IBGZPJMESA-N 2 0 465.473 4.657 20 0 JJADRP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)c1 ZINC001455987709 1066467171 /nfs/dbraw/zinc/46/71/71/1066467171.db2.gz UQODKSMOTSIPAO-SANMLTNESA-N 2 0 452.618 4.658 20 0 JJADRP Cc1ccc(-c2nnc(N(C)[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)n2CC(C)(C)C[NH+](C)C)o1 ZINC001361171012 1066486474 /nfs/dbraw/zinc/48/64/74/1066486474.db2.gz LFLFVDNINUUEMN-QPPBQGQZSA-N 2 0 478.685 4.924 20 0 JJADRP O=C(c1ccc(NC2=[NH+]CCC2)cc1)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001444864653 1066514854 /nfs/dbraw/zinc/51/48/54/1066514854.db2.gz NPFNFMSYEGNLJL-FQEVSTJZSA-N 2 0 458.528 4.817 20 0 JJADRP Cc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CCCCC[NH+]2CCCC2)o1 ZINC001361225584 1066563813 /nfs/dbraw/zinc/56/38/13/1066563813.db2.gz GUMWRGQZZOAMRU-UHFFFAOYSA-N 2 0 456.679 4.671 20 0 JJADRP Cc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)o1 ZINC001361226006 1066564432 /nfs/dbraw/zinc/56/44/32/1066564432.db2.gz SZXSEFHJXBXDIQ-JIPXPUAJSA-N 2 0 470.706 4.915 20 0 JJADRP Cc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@H](c2ccsc2)[NH+](C)C)o1 ZINC001361225850 1066564504 /nfs/dbraw/zinc/56/45/04/1066564504.db2.gz OJAMFQRTCRBZGD-OAQYLSRUSA-N 2 0 470.687 4.769 20 0 JJADRP CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC001545994734 1066795364 /nfs/dbraw/zinc/79/53/64/1066795364.db2.gz FFDLDYZSZWJALE-UKILVPOCSA-N 2 0 466.718 4.842 20 0 JJADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1cccc(C(F)(F)F)c1 ZINC001448059195 1066894625 /nfs/dbraw/zinc/89/46/25/1066894625.db2.gz BZFZQDAEIYVSHB-GOTSBHOMSA-N 2 0 459.556 4.727 20 0 JJADRP Cc1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001492776928 1066946966 /nfs/dbraw/zinc/94/69/66/1066946966.db2.gz JZXGPYBVTCRAAM-QRXMYIDTSA-N 2 0 466.718 4.834 20 0 JJADRP Cc1nnc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001492805131 1066954525 /nfs/dbraw/zinc/95/45/25/1066954525.db2.gz ZVQHAHANNDWRAU-NLFFAJNJSA-N 2 0 456.654 4.509 20 0 JJADRP CC1CC[NH+](CCc2cccc(NC(=O)c3cnn(CC[NH+](C)C)c3-c3ccccc3)c2)CC1 ZINC001458096769 1066974035 /nfs/dbraw/zinc/97/40/35/1066974035.db2.gz YLUWMLUYIFLGIF-UHFFFAOYSA-N 2 0 459.638 4.638 20 0 JJADRP CC[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+](C(C)C)CC1)[NH+]1CCCC1 ZINC001546014518 1067010403 /nfs/dbraw/zinc/01/04/03/1067010403.db2.gz JUWJSHDITVTXMB-OAQYLSRUSA-N 2 0 477.122 4.629 20 0 JJADRP CC[C@H](c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CC(C)(C)C[NH+](C)C)c1ccccc1 ZINC001545751972 1067026179 /nfs/dbraw/zinc/02/61/79/1067026179.db2.gz OGLBHTZEEBIZEQ-VWLOTQADSA-N 2 0 466.718 4.863 20 0 JJADRP CC[C@@H](c1nnc(N2CC[NH+](C(C)C)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545756600 1067033786 /nfs/dbraw/zinc/03/37/86/1067033786.db2.gz KQWPZBJDUNRHMS-RMTZWNOUSA-N 2 0 466.718 4.718 20 0 JJADRP CC[C@@H](c1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1CCCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC001545758290 1067036885 /nfs/dbraw/zinc/03/68/85/1067036885.db2.gz DMCONNLBRXEONK-AZGAKELHSA-N 2 0 466.718 4.863 20 0 JJADRP CC[C@@H](c1nnc(N2CC[NH+](CC(C)C)CC2)n1CCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC001545758651 1067038978 /nfs/dbraw/zinc/03/89/78/1067038978.db2.gz KTLSSVVVLGSHHV-AOYPEHQESA-N 2 0 466.718 4.863 20 0 JJADRP CC[C@@H](c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC001545761437 1067045199 /nfs/dbraw/zinc/04/51/99/1067045199.db2.gz RLHAATUZAPCWPI-LOSJGSFVSA-N 2 0 452.691 4.613 20 0 JJADRP CC[C@@H](c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC001545761436 1067045298 /nfs/dbraw/zinc/04/52/98/1067045298.db2.gz RLHAATUZAPCWPI-JWQCQUIFSA-N 2 0 452.691 4.613 20 0 JJADRP CCC(CC)[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+](C)C ZINC001545804780 1067116021 /nfs/dbraw/zinc/11/60/21/1067116021.db2.gz BHKRYHRQWYMZKL-ZWSUVBHBSA-N 2 0 486.680 4.598 20 0 JJADRP CCC(CC)[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](C(C)(C)C)CC1)[NH+](C)C ZINC001545804720 1067116306 /nfs/dbraw/zinc/11/63/06/1067116306.db2.gz ADUFVRQKOZBSTP-QFIPXVFZSA-N 2 0 492.659 4.833 20 0 JJADRP CCC(CC)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[NH+](C)C ZINC001545815542 1067145232 /nfs/dbraw/zinc/14/52/32/1067145232.db2.gz RHEYKDPEKPTZII-DMDYGQEQSA-N 2 0 488.765 4.631 20 0 JJADRP CCC(CC)[C@H](Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)[NH+](C)C ZINC001545820291 1067158432 /nfs/dbraw/zinc/15/84/32/1067158432.db2.gz VGKHSBYQUVRKLV-CAOCKLPOSA-N 2 0 482.717 4.513 20 0 JJADRP CCC(CC)[C@H](Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C)[NH+](C)C ZINC001545820292 1067158573 /nfs/dbraw/zinc/15/85/73/1067158573.db2.gz VGKHSBYQUVRKLV-GPXOXTDOSA-N 2 0 482.717 4.513 20 0 JJADRP CC(C)([C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC001458835090 1067163668 /nfs/dbraw/zinc/16/36/68/1067163668.db2.gz JCFPBMIHUMAPQJ-RCZVLFRGSA-N 2 0 455.593 4.909 20 0 JJADRP CC(C)[C@@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc(Cl)cc1F ZINC001459919649 1067491298 /nfs/dbraw/zinc/49/12/98/1067491298.db2.gz BOJMTLQLCCPGSW-HSZRJFAPSA-N 2 0 450.023 4.953 20 0 JJADRP CCc1ccc(-c2nn(-c3ccccc3C)cc2C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC001461030620 1067765623 /nfs/dbraw/zinc/76/56/23/1067765623.db2.gz NITFZVUDXJAMSP-MUUNZHRXSA-N 2 0 459.682 4.772 20 0 JJADRP CCc1ccc(-c2nn(-c3ccccc3C)cc2C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC001461030647 1067765643 /nfs/dbraw/zinc/76/56/43/1067765643.db2.gz NITFZVUDXJAMSP-NDEPHWFRSA-N 2 0 459.682 4.772 20 0 JJADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3cccc(F)c3OCC(F)(F)F)CC2)c1 ZINC001461040349 1067767878 /nfs/dbraw/zinc/76/78/78/1067767878.db2.gz UIZSNOUXTDBGHK-UHFFFAOYSA-N 2 0 453.524 4.767 20 0 JJADRP Cc1ccc(-c2ncc(C[NH2+]Cc3cc(C(F)(F)F)ccc3N3CC[NH+](C)CC3)s2)o1 ZINC001461222439 1067802994 /nfs/dbraw/zinc/80/29/94/1067802994.db2.gz MRHRPNPMMDWPBX-UHFFFAOYSA-N 2 0 450.530 4.772 20 0 JJADRP Clc1ccccc1CN1CCC([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001461283856 1067817558 /nfs/dbraw/zinc/81/75/58/1067817558.db2.gz GORUPLWVIUQWIM-UHFFFAOYSA-N 2 0 456.074 4.965 20 0 JJADRP Ic1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC001461382486 1067843241 /nfs/dbraw/zinc/84/32/41/1067843241.db2.gz NKEMKAZPBPNCDM-QXAKKESOSA-N 2 0 452.405 4.743 20 0 JJADRP Ic1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC001461382488 1067843358 /nfs/dbraw/zinc/84/33/58/1067843358.db2.gz NKEMKAZPBPNCDM-YTQUADARSA-N 2 0 452.405 4.743 20 0 JJADRP CN(c1ccccc1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1)C1CC[NH+](C)CC1 ZINC001461541031 1067884708 /nfs/dbraw/zinc/88/47/08/1067884708.db2.gz PYXHRCUJXQVIKI-QFIPXVFZSA-N 2 0 456.675 4.629 20 0 JJADRP Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]CCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001461831482 1067943299 /nfs/dbraw/zinc/94/32/99/1067943299.db2.gz FYFHUOGCNGLLIE-UHFFFAOYSA-N 2 0 452.046 4.535 20 0 JJADRP C[NH+]1CCN(c2ccc(CC[NH2+]Cc3ccc(-c4ccc(Br)cc4)o3)cc2)CC1 ZINC001461833327 1067943757 /nfs/dbraw/zinc/94/37/57/1067943757.db2.gz PMTLXCHZQGXTJH-UHFFFAOYSA-N 2 0 454.412 4.793 20 0 JJADRP COC(=O)[C@@H](C)Oc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001462256260 1068038767 /nfs/dbraw/zinc/03/87/67/1068038767.db2.gz AWICBAQRIAXOPJ-RLWLMLJZSA-N 2 0 450.623 4.750 20 0 JJADRP CO[C@H](C[NH2+]CC1(NC(=O)OC(C)(C)C)CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC001462343120 1068055535 /nfs/dbraw/zinc/05/55/35/1068055535.db2.gz MENUGCITPAYHRQ-XMMPIXPASA-N 2 0 459.675 4.731 20 0 JJADRP Cc1ccc(-n2c(Cl)c(C[NH2+]CC3(c4ccccc4)CC[NH+](C)CC3)nc2N(C)C)cc1 ZINC001462511975 1068088474 /nfs/dbraw/zinc/08/84/74/1068088474.db2.gz METQUOTXMLXWSU-UHFFFAOYSA-N 2 0 452.046 4.653 20 0 JJADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3c(Br)cc(F)c(F)c3N3CCCCC3)C[C@H]2C1 ZINC001462655417 1068125733 /nfs/dbraw/zinc/12/57/33/1068125733.db2.gz QZZAKZDROCYQFS-BRWVUGGUSA-N 2 0 456.419 4.880 20 0 JJADRP Clc1ncc2c(c1N1C[C@H]3c4ccccc4C[NH2+][C@@H]3C1)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164423344 718944979 /nfs/dbraw/zinc/94/49/79/718944979.db2.gz HZXAIZYWXRYPGQ-JYFHCDHNSA-N 2 0 487.047 4.832 20 0 JJADRP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164748523 720916351 /nfs/dbraw/zinc/91/63/51/720916351.db2.gz GRJPDGUQLOEWSS-DLFZDVPBSA-N 2 0 497.687 4.985 20 0 JJADRP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3[nH+]ccc4c3ccn4Cc3ccccc3)C2)C1 ZINC001164780118 721354240 /nfs/dbraw/zinc/35/42/40/721354240.db2.gz ZUZTUMBAURDUPF-LJAQVGFWSA-N 2 0 485.632 4.808 20 0 JJADRP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc3c(n1)CC[NH+](Cc1ccccc1)C3)CC2 ZINC001164792636 721493504 /nfs/dbraw/zinc/49/35/04/721493504.db2.gz STLZYYXENAJEDD-UHFFFAOYSA-N 2 0 467.661 4.916 20 0 JJADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c(n3)CC[NH+](Cc3ccccc3)C4)C[C@H]21 ZINC001165017879 721807744 /nfs/dbraw/zinc/80/77/44/721807744.db2.gz BALLOCZUKUQJGB-WIDNXDAUSA-N 2 0 467.661 4.772 20 0 JJADRP CC(C)Cc1nnc(N2CC[C@H](C)[NH+](Cc3ccccc3)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001359802804 1064471677 /nfs/dbraw/zinc/47/16/77/1064471677.db2.gz WGIYDUGOFIGUDO-ZCYQVOJMSA-N 2 0 466.718 4.698 20 0 JJADRP CC(C)Cc1nnc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001359802855 1064471781 /nfs/dbraw/zinc/47/17/81/1064471781.db2.gz XAIYVBUSQOEZTL-JWQCQUIFSA-N 2 0 466.718 4.699 20 0 JJADRP CC(C)Cc1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001359841677 1064529096 /nfs/dbraw/zinc/52/90/96/1064529096.db2.gz YABDUCWVCSPXII-FIPFOOKPSA-N 2 0 484.708 4.839 20 0 JJADRP CC(C)Cc1nnc(N2CC[NH+](C3CCC3)C[C@@H](C)C2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001359855285 1064542756 /nfs/dbraw/zinc/54/27/56/1064542756.db2.gz IGGFMNXJQPTWFD-RPWUZVMVSA-N 2 0 466.718 4.698 20 0 JJADRP CC(C)Cc1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359855492 1064543315 /nfs/dbraw/zinc/54/33/15/1064543315.db2.gz OTACECJBKFRMBN-WHMVAZNWSA-N 2 0 472.766 4.935 20 0 JJADRP CC(C)Cc1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001359860605 1064549492 /nfs/dbraw/zinc/54/94/92/1064549492.db2.gz JUORPPXDXRYIKB-JOCHJYFZSA-N 2 0 458.720 4.543 20 0 JJADRP CC(C)CC[NH+]1CCC(Cn2c(CC3CCCC3)nnc2N2CC[NH+](CC(C)C)CC2)CC1 ZINC001359948982 1064701671 /nfs/dbraw/zinc/70/16/71/1064701671.db2.gz UYIAHXSKBRRLLY-UHFFFAOYSA-N 2 0 458.739 4.547 20 0 JJADRP C[C@@H](CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1)[NH+](C)Cc1ccccc1 ZINC001435426182 1064750882 /nfs/dbraw/zinc/75/08/82/1064750882.db2.gz YVMVITCPLUFUNS-HDYLNDSGSA-N 2 0 461.675 4.991 20 0 JJADRP CC(C)[N@H+](C)Cc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001360092666 1064963011 /nfs/dbraw/zinc/96/30/11/1064963011.db2.gz NYWKADIDRPSZDW-RUZDIDTESA-N 2 0 466.718 4.820 20 0 JJADRP CC(C)[N@H+](C)CCCn1c(-c2cccnc2)nnc1N1CCC(CC[NH+]2CCCC[C@H]2C)CC1 ZINC001360097851 1064976102 /nfs/dbraw/zinc/97/61/02/1064976102.db2.gz FBCZEZMSJVPRFH-HSZRJFAPSA-N 2 0 467.706 4.551 20 0 JJADRP CC(C)[NH+](CCCn1c(-c2ccccc2F)nnc1N1CC[C@H]([NH+]2CCCCC2)C1)C(C)C ZINC001360125894 1065018797 /nfs/dbraw/zinc/01/87/97/1065018797.db2.gz YQFGNWRQQVJGQW-QFIPXVFZSA-N 2 0 456.654 4.658 20 0 JJADRP CC(C)[NH+](CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1)C(C)C ZINC001360134028 1065030027 /nfs/dbraw/zinc/03/00/27/1065030027.db2.gz CBGVFBWUBMHTIN-HSZRJFAPSA-N 2 0 489.108 4.694 20 0 JJADRP CC(C)[NH+](CCn1c(Cc2ccsc2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC001360135288 1065031464 /nfs/dbraw/zinc/03/14/64/1065031464.db2.gz URXIYKCBAXFBOV-HSZRJFAPSA-N 2 0 480.726 4.760 20 0 JJADRP CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[NH+]2CCC[C@@H]2C)CC1 ZINC001360144114 1065045132 /nfs/dbraw/zinc/04/51/32/1065045132.db2.gz VCUFRXZMWURASD-QFIPXVFZSA-N 2 0 452.691 4.647 20 0 JJADRP CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Br)s3)n2CC[NH+]2CCCCCC2)CC1 ZINC001360144078 1065045534 /nfs/dbraw/zinc/04/55/34/1065045534.db2.gz UIABFLOLQLDIGG-UHFFFAOYSA-N 2 0 495.535 4.566 20 0 JJADRP CC(C)[N@@H+]1CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001360146952 1065049605 /nfs/dbraw/zinc/04/96/05/1065049605.db2.gz BIYCHWZPYODZKC-UHFFFAOYSA-N 2 0 482.717 4.559 20 0 JJADRP CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001360305613 1065140728 /nfs/dbraw/zinc/14/07/28/1065140728.db2.gz XTUFRGXFTPNFKO-HXUWFJFHSA-N 2 0 474.097 4.615 20 0 JJADRP CC(C)[NH2+]C1CCN(c2nnc(-c3ccccc3Cl)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001360307253 1065142590 /nfs/dbraw/zinc/14/25/90/1065142590.db2.gz SGEMWSJAOYLFQP-FQEVSTJZSA-N 2 0 459.082 4.830 20 0 JJADRP C[C@H](CCn1c(N2CCC[C@H](C[NH+]3CCCCCC3)C2)nnc1C(C)(C)C)[NH+]1CCCCC1 ZINC001360511789 1065458401 /nfs/dbraw/zinc/45/84/01/1065458401.db2.gz ZYMZFEHZCWIGDT-DNQXCXABSA-N 2 0 458.739 4.933 20 0 JJADRP C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)[NH+](C)C1CC1 ZINC001360534185 1065515634 /nfs/dbraw/zinc/51/56/34/1065515634.db2.gz DGPATLFIIQNRID-SFHVURJKSA-N 2 0 489.506 4.501 20 0 JJADRP CCC[N@H+](Cc1ccccc1)Cc1ccc(NC(=O)[C@@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)cc1 ZINC001437229841 1065523505 /nfs/dbraw/zinc/52/35/05/1065523505.db2.gz ZZLQAKGABXLFMK-KAYWLYCHSA-N 2 0 459.638 4.506 20 0 JJADRP C[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001360586935 1065587907 /nfs/dbraw/zinc/58/79/07/1065587907.db2.gz IZVRYUHQVOQEHJ-SFHVURJKSA-N 2 0 477.122 4.627 20 0 JJADRP C[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[NH+](C)C ZINC001360588277 1065591827 /nfs/dbraw/zinc/59/18/27/1065591827.db2.gz TYIPCBYJYVZTGL-IBGZPJMESA-N 2 0 479.138 4.732 20 0 JJADRP C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)C[NH+]1CCCC1 ZINC001360592832 1065601666 /nfs/dbraw/zinc/60/16/66/1065601666.db2.gz ACUFVVURBNYWHL-WXFUMESZSA-N 2 0 458.739 4.689 20 0 JJADRP CC(C)[N@@H+]1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001360596484 1065609173 /nfs/dbraw/zinc/60/91/73/1065609173.db2.gz BHDWKERUJYYPFY-NRFANRHFSA-N 2 0 459.082 4.641 20 0 JJADRP CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccccc3F)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001360596814 1065611167 /nfs/dbraw/zinc/61/11/67/1065611167.db2.gz HROSRXAYOUWPOF-JOCHJYFZSA-N 2 0 470.681 4.763 20 0 JJADRP C[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)C[NH+]1CCCCC1 ZINC001360602138 1065626405 /nfs/dbraw/zinc/62/64/05/1065626405.db2.gz MSQNEJFKROUWKK-RUZDIDTESA-N 2 0 480.745 4.886 20 0 JJADRP C[C@H]([NH2+]C(C)(C)Cn1c(CC(C)(C)C)nnc1N1CC[NH+](C2CCC2)CC1)c1ccccc1 ZINC001360644701 1065719469 /nfs/dbraw/zinc/71/94/69/1065719469.db2.gz BHOJTTQPNCYZRD-NRFANRHFSA-N 2 0 452.691 4.671 20 0 JJADRP C[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1)[NH+](C)C ZINC001360743874 1065780447 /nfs/dbraw/zinc/78/04/47/1065780447.db2.gz LAGZZVGJELFXNS-FGZHOGPDSA-N 2 0 486.680 4.600 20 0 JJADRP C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC[NH+]1CCCCCC1 ZINC001360759942 1065830511 /nfs/dbraw/zinc/83/05/11/1065830511.db2.gz DZDRKHCVZTVOHX-NRFANRHFSA-N 2 0 489.108 4.868 20 0 JJADRP C[C@@H](Oc1ccccc1F)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001360770153 1065865430 /nfs/dbraw/zinc/86/54/30/1065865430.db2.gz UFZXBJLMAOLFRF-OAQYLSRUSA-N 2 0 486.680 4.600 20 0 JJADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)Cc1ccccc1 ZINC001440676764 1065963285 /nfs/dbraw/zinc/96/32/85/1065963285.db2.gz PKDPJQUJXUYVGP-HZFUHODCSA-N 2 0 476.064 4.845 20 0 JJADRP CC[C@@H](Cn1c(C(C)C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)[NH+]1CCc2ccccc2C1 ZINC001545950022 1066140232 /nfs/dbraw/zinc/14/02/32/1066140232.db2.gz JUOZVRJQQGGQFA-DEOSSOPVSA-N 2 0 452.691 4.549 20 0 JJADRP CCCN(C(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001442865199 1066233036 /nfs/dbraw/zinc/23/30/36/1066233036.db2.gz BNVQRQFTIXBAJR-AHKZPQOWSA-N 2 0 451.630 4.941 20 0 JJADRP Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001361125956 1066381233 /nfs/dbraw/zinc/38/12/33/1066381233.db2.gz IAXJBYWWJOJGJG-DSITVLBTSA-N 2 0 496.744 4.938 20 0 JJADRP Cc1ccc([C@H](Cn2c(N3CCC(CCC[NH+]4CCOCC4)CC3)nnc2C(C)(C)C)[NH+](C)C)cc1 ZINC001361140785 1066418862 /nfs/dbraw/zinc/41/88/62/1066418862.db2.gz GTQWYTOFLDHHAE-SANMLTNESA-N 2 0 496.744 4.516 20 0 JJADRP Cc1ccc(C)c(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@H](C)[NH+]2CCC[C@@H](C)C2)c1 ZINC001361158644 1066461126 /nfs/dbraw/zinc/46/11/26/1066461126.db2.gz DVGVWBBMNJDXDW-ILBGXUMGSA-N 2 0 482.717 4.515 20 0 JJADRP Cc1ccc(C)c(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC001361159893 1066465252 /nfs/dbraw/zinc/46/52/52/1066465252.db2.gz NRTATXXKWXQYLJ-DEOSSOPVSA-N 2 0 482.717 4.515 20 0 JJADRP Cc1ccc(-c2nnc(N3CCC(CC[N@H+]4CCCC[C@H]4C)CC3)n2CC(C)(C)C[NH+](C)C)o1 ZINC001361204518 1066535606 /nfs/dbraw/zinc/53/56/06/1066535606.db2.gz YYBBIYIHBUNLTF-OAQYLSRUSA-N 2 0 470.706 4.915 20 0 JJADRP Cc1ccc(-c2nnc(N3CCC[C@H](C[NH+]4CCCCCC4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)o1 ZINC001361212565 1066547440 /nfs/dbraw/zinc/54/74/40/1066547440.db2.gz NOQSYISJTQLEBI-DNQXCXABSA-N 2 0 470.706 4.915 20 0 JJADRP CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[NH+]1CCCC1 ZINC001545994661 1066794016 /nfs/dbraw/zinc/79/40/16/1066794016.db2.gz DCLQRUIDXNMCDH-ZEQRLZLVSA-N 2 0 458.739 4.689 20 0 JJADRP C[C@@H]1C[C@H](NC(=O)[C@@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001457241316 1066796898 /nfs/dbraw/zinc/79/68/98/1066796898.db2.gz UQSKOFDCIZPBIX-QFZRFWILSA-N 2 0 459.556 4.610 20 0 JJADRP CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](C[NH+](CC)CC)C1)[N@@H+]1CCc2ccccc2C1 ZINC001545994817 1066797101 /nfs/dbraw/zinc/79/71/01/1066797101.db2.gz GUBPNMRSDCZJTC-JYFHCDHNSA-N 2 0 480.745 4.872 20 0 JJADRP CC[C@H](Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[NH+]1CCCC1 ZINC001546010049 1066964869 /nfs/dbraw/zinc/96/48/69/1066964869.db2.gz DQADFLDJYWOKJO-RUZDIDTESA-N 2 0 496.744 4.907 20 0 JJADRP CC[C@@H](Cn1c(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001546014394 1067010077 /nfs/dbraw/zinc/01/00/77/1067010077.db2.gz HXMZYSLMPLFVEU-VWNXMTODSA-N 2 0 458.739 4.931 20 0 JJADRP CC[C@@H](Cn1c(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001546014393 1067010116 /nfs/dbraw/zinc/01/01/16/1067010116.db2.gz HXMZYSLMPLFVEU-UPVQGACJSA-N 2 0 458.739 4.931 20 0 JJADRP CCC(CC)[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)[NH+](C)C ZINC001545804777 1067116330 /nfs/dbraw/zinc/11/63/30/1067116330.db2.gz BHKRYHRQWYMZKL-OPHFCASCSA-N 2 0 486.680 4.598 20 0 JJADRP CCC(CC)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+](C)C ZINC001545805775 1067121720 /nfs/dbraw/zinc/12/17/20/1067121720.db2.gz RWSXWSPKZCDTNC-PKTZIBPZSA-N 2 0 459.082 4.639 20 0 JJADRP CCC(CC)[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](C(C)C)CC1)[NH+](C)C ZINC001545807267 1067125078 /nfs/dbraw/zinc/12/50/78/1067125078.db2.gz FJIKCGUKHVRRAH-GOSISDBHSA-N 2 0 497.551 4.666 20 0 JJADRP CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C(C)C)CC1)[NH+](C)C ZINC001545808335 1067133629 /nfs/dbraw/zinc/13/36/29/1067133629.db2.gz WVRUBXBDXNBRGS-JOCHJYFZSA-N 2 0 465.061 4.634 20 0 JJADRP CCC(CC)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[NH+](C)C ZINC001545815543 1067145260 /nfs/dbraw/zinc/14/52/60/1067145260.db2.gz RHEYKDPEKPTZII-RNXOBYDBSA-N 2 0 488.765 4.631 20 0 JJADRP CCC(CC)[C@H](Cn1c(Cc2ccccc2F)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1)[NH+](C)C ZINC001545817546 1067149913 /nfs/dbraw/zinc/14/99/13/1067149913.db2.gz LLPAVWNQAXHVSS-LVXARBLLSA-N 2 0 484.708 4.685 20 0 JJADRP CCC(CC)[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)[NH+](C)C ZINC001545817547 1067149968 /nfs/dbraw/zinc/14/99/68/1067149968.db2.gz LLPAVWNQAXHVSS-QFQXNSOFSA-N 2 0 484.708 4.685 20 0 JJADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001453391519 1067303150 /nfs/dbraw/zinc/30/31/50/1067303150.db2.gz SWBRSYLXEDZELY-OUIFVKKZSA-N 2 0 454.058 4.792 20 0 JJADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)NCC2(c3ccc(F)cc3)CCCC2)CC1 ZINC001459429243 1067324051 /nfs/dbraw/zinc/32/40/51/1067324051.db2.gz SIDZZTYVQNMVTN-UHFFFAOYSA-N 2 0 451.630 4.598 20 0 JJADRP C[C@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C(c1ccccc1)c1ccccc1 ZINC001459927623 1067495366 /nfs/dbraw/zinc/49/53/66/1067495366.db2.gz TWXOXGUMLRWXOI-QFIPXVFZSA-N 2 0 459.659 4.984 20 0 JJADRP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+][C@@H](C)c3ccc(Cl)c4ccccc43)cc2)CC1 ZINC001459996355 1067519479 /nfs/dbraw/zinc/51/94/79/1067519479.db2.gz OMUPMJZCEZUNHJ-IBGZPJMESA-N 2 0 451.014 4.924 20 0 JJADRP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CCN(C(=O)OCc4ccccc4)CC3)C2)s1 ZINC001460065930 1067544178 /nfs/dbraw/zinc/54/41/78/1067544178.db2.gz AKDXVZXMHVEPJI-XMMPIXPASA-N 2 0 455.668 4.859 20 0 JJADRP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001460172251 1067569640 /nfs/dbraw/zinc/56/96/40/1067569640.db2.gz PMTDIVCHCFWFQQ-IBGZPJMESA-N 2 0 456.428 4.764 20 0 JJADRP COc1ccc(NC(=O)CN2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC001460549979 1067654687 /nfs/dbraw/zinc/65/46/87/1067654687.db2.gz YIMHKZLECWPKEW-RUZDIDTESA-N 2 0 456.030 4.910 20 0 JJADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2ccc(-c3cccc(Cl)c3Cl)o2)CC1 ZINC001461257371 1067811782 /nfs/dbraw/zinc/81/17/82/1067811782.db2.gz ONUCJSXBNVKRFE-UHFFFAOYSA-N 2 0 452.426 4.970 20 0 JJADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001461986574 1067975558 /nfs/dbraw/zinc/97/55/58/1067975558.db2.gz DFQPIXMWPRIMDF-VOFXCDAESA-N 2 0 456.030 4.956 20 0 JJADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2C[NH+](Cc3ccccc3)CCC2(F)F)cc1 ZINC001464166006 1068640185 /nfs/dbraw/zinc/64/01/85/1068640185.db2.gz AEECZXYHZVANAV-PXDATVDWSA-N 2 0 455.593 4.835 20 0 JJADRP C[C@@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC001464359584 1068719031 /nfs/dbraw/zinc/71/90/31/1068719031.db2.gz WQRZORFFMRZGMG-OUIFVKKZSA-N 2 0 454.058 4.794 20 0 JJADRP Clc1ncc2c(c1N1C[C@@H]3[NH2+]Cc4ccccc4[C@H]3C1)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164423343 718944824 /nfs/dbraw/zinc/94/48/24/718944824.db2.gz HZXAIZYWXRYPGQ-BVAGGSTKSA-N 2 0 487.047 4.832 20 0 JJADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N(Cc2cccnc2)c2ccc3nc(C4CC[NH2+]CC4)nn3c2)nc1 ZINC001164631575 719138797 /nfs/dbraw/zinc/13/87/97/719138797.db2.gz NVTLBDACMZDRIG-AREMUKBSSA-N 2 0 496.663 4.872 20 0 JJADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3c(n1)CC[NH+](Cc1ccccc1)C3)CC2 ZINC001164719497 720109198 /nfs/dbraw/zinc/10/91/98/720109198.db2.gz XNIGZZRYXSOAAF-NDEPHWFRSA-N 2 0 497.687 4.542 20 0 JJADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H](COC)[NH+](Cc4ccccn4)C3)CC2)nc1 ZINC001164712221 720152683 /nfs/dbraw/zinc/15/26/83/720152683.db2.gz LCEVUNPYCDSBPC-RRPNLBNLSA-N 2 0 477.697 4.921 20 0 JJADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[NH+]3C(C)C)C2)nc1 ZINC001164840808 720635566 /nfs/dbraw/zinc/63/55/66/720635566.db2.gz QXMFKICSMIFJTH-BKKFENPESA-N 2 0 450.675 4.593 20 0 JJADRP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164748521 720916766 /nfs/dbraw/zinc/91/67/66/720916766.db2.gz GRJPDGUQLOEWSS-DHIFEGFHSA-N 2 0 497.687 4.985 20 0 JJADRP Cc1cccc(N(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164777410 721329306 /nfs/dbraw/zinc/32/93/06/721329306.db2.gz MZTLFIAWPOVMNI-GGXMVOPNSA-N 2 0 454.618 4.607 20 0 JJADRP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]c(N3CCCC3)cc3ccccc31)CC2 ZINC001164787186 721468010 /nfs/dbraw/zinc/46/80/10/721468010.db2.gz DELFQMWCLJNOEL-RUZDIDTESA-N 2 0 478.681 4.569 20 0 JJADRP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]c(N3CCCC3)cc3ccccc31)CC2 ZINC001164787188 721468193 /nfs/dbraw/zinc/46/81/93/721468193.db2.gz DELFQMWCLJNOEL-VWLOTQADSA-N 2 0 478.681 4.569 20 0 JJADRP CN(CC1CC[NH+](C)CC1)c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC001165043154 721936236 /nfs/dbraw/zinc/93/62/36/721936236.db2.gz OQGXIIJCKLNTTM-UHFFFAOYSA-N 2 0 455.046 4.535 20 0 JJADRP CC(C)C[C@@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](C2CCCC2)CC1)[NH+](C)C ZINC001359765073 1064386105 /nfs/dbraw/zinc/38/61/05/1064386105.db2.gz PHTNNNFPUZAMPQ-GMAHTHKFSA-N 2 0 486.680 4.598 20 0 JJADRP CC(C)C[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1)[NH+](C)C ZINC001359766803 1064394567 /nfs/dbraw/zinc/39/45/67/1064394567.db2.gz USAZACUKSMESJC-FCHUYYIVSA-N 2 0 473.109 4.887 20 0 JJADRP CC(C)Cc1nnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001359777642 1064421487 /nfs/dbraw/zinc/42/14/87/1064421487.db2.gz OQDZBMIKQDZWFX-RUZDIDTESA-N 2 0 466.718 4.698 20 0 JJADRP CC(C)Cc1nnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001359777748 1064422179 /nfs/dbraw/zinc/42/21/79/1064422179.db2.gz QMAPBBJRXZLNGT-VWLOTQADSA-N 2 0 480.726 4.942 20 0 JJADRP CC(C)Cc1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001359807734 1064478146 /nfs/dbraw/zinc/47/81/46/1064478146.db2.gz BUIMHZMYWFURBI-QHCPKHFHSA-N 2 0 458.739 4.832 20 0 JJADRP CC(C)Cc1nnc(N2CCC(C[NH+](C)C(C)C)CC2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001359808679 1064481485 /nfs/dbraw/zinc/48/14/85/1064481485.db2.gz RZZCERRHPSSGAJ-RUZDIDTESA-N 2 0 458.739 4.830 20 0 JJADRP CC(C)Cc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001359832686 1064516748 /nfs/dbraw/zinc/51/67/48/1064516748.db2.gz NOYWETKCAXENMP-CCDWMCETSA-N 2 0 458.739 4.688 20 0 JJADRP CC(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001359833350 1064518312 /nfs/dbraw/zinc/51/83/12/1064518312.db2.gz WSBBHJYABOQACK-DNQXCXABSA-N 2 0 458.739 4.545 20 0 JJADRP CC(C)CN(c1nnc(-c2ccccc2F)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC001359986431 1064766944 /nfs/dbraw/zinc/76/69/44/1064766944.db2.gz LTEOBRNEBRDICQ-UHFFFAOYSA-N 2 0 479.648 4.562 20 0 JJADRP CC(C)C[NH+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001360017750 1064818421 /nfs/dbraw/zinc/81/84/21/1064818421.db2.gz JCJWIRYTOUBZCE-UHFFFAOYSA-N 2 0 490.643 4.589 20 0 JJADRP CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001360018497 1064820312 /nfs/dbraw/zinc/82/03/12/1064820312.db2.gz QPCBBTIUIQXFKI-UHFFFAOYSA-N 2 0 477.072 4.780 20 0 JJADRP CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001360092840 1064963790 /nfs/dbraw/zinc/96/37/90/1064963790.db2.gz UWQWZCODXDUXPV-UHFFFAOYSA-N 2 0 461.098 4.743 20 0 JJADRP CC(C)[N@H+](C)CC1CCN(c2nnc(CC(C)(C)C)n2CC[NH+]2CCc3sccc3C2)CC1 ZINC001360095588 1064969829 /nfs/dbraw/zinc/96/98/29/1064969829.db2.gz LOMHASQPMFUSRM-UHFFFAOYSA-N 2 0 472.747 4.543 20 0 JJADRP CC(C)[N@H+](C)CCCn1c(-c2cccnc2)nnc1N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1 ZINC001360097853 1064976514 /nfs/dbraw/zinc/97/65/14/1064976514.db2.gz FBCZEZMSJVPRFH-QHCPKHFHSA-N 2 0 467.706 4.551 20 0 JJADRP CC(C)[N@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001360104012 1064985065 /nfs/dbraw/zinc/98/50/65/1064985065.db2.gz HLXJWNADIXSGAZ-UHFFFAOYSA-N 2 0 489.506 4.503 20 0 JJADRP CC(C)[N@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001360106511 1064988180 /nfs/dbraw/zinc/98/81/80/1064988180.db2.gz GADCGNHJFVNPFO-IBGZPJMESA-N 2 0 465.473 4.657 20 0 JJADRP CC(C)[NH+](CCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[NH+](C(C)(C)C)CC1)C(C)C ZINC001360123397 1065014156 /nfs/dbraw/zinc/01/41/56/1065014156.db2.gz HDGVTYFFXFMNEO-UHFFFAOYSA-N 2 0 492.716 4.765 20 0 JJADRP CC(C)[N@@H+]1CCC[C@@H](Cn2c(N3CCC[C@@H](C[NH+]4CCCCCC4)C3)nnc2C(C)(C)C)C1 ZINC001360140334 1065037585 /nfs/dbraw/zinc/03/75/85/1065037585.db2.gz BYVDPHZCBRKVIJ-BJKOFHAPSA-N 2 0 458.739 4.788 20 0 JJADRP CC(C)[NH2+]C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001360308752 1065144599 /nfs/dbraw/zinc/14/45/99/1065144599.db2.gz LXACUQYBXKRFDB-QFIPXVFZSA-N 2 0 487.117 4.854 20 0 JJADRP CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001360309323 1065145155 /nfs/dbraw/zinc/14/51/55/1065145155.db2.gz BICNYXZZKZKJEQ-QFIPXVFZSA-N 2 0 482.717 4.606 20 0 JJADRP CC(C)[NH2+]C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001360309395 1065145253 /nfs/dbraw/zinc/14/52/53/1065145253.db2.gz CXYJPULMCNYDBU-JOCHJYFZSA-N 2 0 477.122 4.531 20 0 JJADRP C[C@@H](c1cccs1)N(C)c1nnc(CC(C)(C)C)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001360466082 1065376664 /nfs/dbraw/zinc/37/66/64/1065376664.db2.gz HVCYENOCKNNKHV-NRFANRHFSA-N 2 0 481.714 4.733 20 0 JJADRP CC(C)[N@@H+]1CCCN(c2nnc(CC3CCCC3)n2CC[C@H](C)[NH+](C)Cc2ccccc2)CC1 ZINC001360509928 1065451489 /nfs/dbraw/zinc/45/14/89/1065451489.db2.gz AFBVNCAVFIICLQ-DEOSSOPVSA-N 2 0 466.718 4.842 20 0 JJADRP C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)[NH+](C)C1CC1 ZINC001360534184 1065515507 /nfs/dbraw/zinc/51/55/07/1065515507.db2.gz DGPATLFIIQNRID-GOSISDBHSA-N 2 0 489.506 4.501 20 0 JJADRP CCC[N@H+](Cc1ccccc1)Cc1ccc(NC(=O)[C@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)cc1 ZINC001437229843 1065523984 /nfs/dbraw/zinc/52/39/84/1065523984.db2.gz ZZLQAKGABXLFMK-RRPNLBNLSA-N 2 0 459.638 4.506 20 0 JJADRP C[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)[NH+](C)C1CC1 ZINC001360583375 1065580621 /nfs/dbraw/zinc/58/06/21/1065580621.db2.gz CDRVYHKTRRSSJL-JOCHJYFZSA-N 2 0 496.744 4.948 20 0 JJADRP C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC[NH+]1CCCCCC1 ZINC001360746010 1065787378 /nfs/dbraw/zinc/78/73/78/1065787378.db2.gz RQNKNMWZMPIVQN-QFIPXVFZSA-N 2 0 486.680 4.744 20 0 JJADRP C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC[NH+]1CCCCCC1 ZINC001360746009 1065787465 /nfs/dbraw/zinc/78/74/65/1065787465.db2.gz RQNKNMWZMPIVQN-JOCHJYFZSA-N 2 0 486.680 4.744 20 0 JJADRP CC(C)[NH+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001360749008 1065791639 /nfs/dbraw/zinc/79/16/39/1065791639.db2.gz JYLYNVCSLYWDFF-SQJMNOBHSA-N 2 0 486.680 4.598 20 0 JJADRP C[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001360773473 1065871731 /nfs/dbraw/zinc/87/17/31/1065871731.db2.gz IUMCULCHMHILNL-NHCUHLMSSA-N 2 0 486.680 4.598 20 0 JJADRP Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)c1C ZINC001360876718 1066021034 /nfs/dbraw/zinc/02/10/34/1066021034.db2.gz AGIIVRRHZPNLFE-DNQXCXABSA-N 2 0 470.706 4.542 20 0 JJADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC001442919321 1066240375 /nfs/dbraw/zinc/24/03/75/1066240375.db2.gz JNHRXGQDFXUXNP-MRXNPFEDSA-N 2 0 455.455 4.605 20 0 JJADRP Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)n2CC[N@@H+](C)C(C)C)c1 ZINC001361032622 1066247016 /nfs/dbraw/zinc/24/70/16/1066247016.db2.gz STXVAJDYMREOKG-AREMUKBSSA-N 2 0 496.744 4.762 20 0 JJADRP Cc1cc(C)cc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001361034810 1066250793 /nfs/dbraw/zinc/25/07/93/1066250793.db2.gz DSHIXTQBPIPEJL-CLJLJLNGSA-N 2 0 496.744 4.762 20 0 JJADRP Cc1cc(C)cc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCC[NH+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001361034812 1066251482 /nfs/dbraw/zinc/25/14/82/1066251482.db2.gz DSHIXTQBPIPEJL-WMPKNSHKSA-N 2 0 496.744 4.762 20 0 JJADRP Cc1ccc(C)c(OCc2nnc(N3CC[NH+](C4CCCCC4)CC3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001361159596 1066464382 /nfs/dbraw/zinc/46/43/82/1066464382.db2.gz DCODRMMYUBNGPR-UHFFFAOYSA-N 2 0 482.717 4.659 20 0 JJADRP Cc1ccc(-c2nnc(N(C)[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)n2CC(C)(C)C[NH+](C)C)o1 ZINC001361171016 1066486464 /nfs/dbraw/zinc/48/64/64/1066486464.db2.gz LFLFVDNINUUEMN-XUZZJYLKSA-N 2 0 478.685 4.924 20 0 JJADRP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001361192143 1066519306 /nfs/dbraw/zinc/51/93/06/1066519306.db2.gz HZWFIICPBAUOLH-UKILVPOCSA-N 2 0 459.556 4.737 20 0 JJADRP Cc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)o1 ZINC001361207432 1066540037 /nfs/dbraw/zinc/54/00/37/1066540037.db2.gz SVLPWYWASSEFGP-JOCHJYFZSA-N 2 0 471.049 4.770 20 0 JJADRP Cc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC[C@H](C)[NH+](C)Cc2ccccc2)o1 ZINC001361218178 1066554325 /nfs/dbraw/zinc/55/43/25/1066554325.db2.gz OLSXUOGUARQMJJ-QFIPXVFZSA-N 2 0 464.658 4.678 20 0 JJADRP Cc1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001492848039 1066958039 /nfs/dbraw/zinc/95/80/39/1066958039.db2.gz MPYHWZOCYSIGHA-VWNXMTODSA-N 2 0 452.691 4.664 20 0 JJADRP CC[C@@H](c1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1C[C@H](C)[NH+](C)C)c1ccccc1 ZINC001545746787 1067015739 /nfs/dbraw/zinc/01/57/39/1067015739.db2.gz UYTBGLUBJSGVKY-KYPHJKQUSA-N 2 0 466.718 4.718 20 0 JJADRP CC[C@@H](c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCC[NH+](CC)CC)c1ccccc1 ZINC001545751344 1067023610 /nfs/dbraw/zinc/02/36/10/1067023610.db2.gz DJXRSHFNNHMNAB-XMMPIXPASA-N 2 0 454.707 4.863 20 0 JJADRP CCc1ccc([C@H](CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)[NH+](CC)CC)cc1 ZINC001450482485 1067084560 /nfs/dbraw/zinc/08/45/60/1067084560.db2.gz LJQXDHJMAVEFML-RPBOFIJWSA-N 2 0 457.609 4.906 20 0 JJADRP CCC(CC)[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CC[N@H+](CC)[C@@H](C)C1)[NH+](C)C ZINC001545805015 1067118283 /nfs/dbraw/zinc/11/82/83/1067118283.db2.gz GKVOLMLBPARXRG-PGRDOPGGSA-N 2 0 491.522 4.604 20 0 JJADRP CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCC2)CC1)[NH+](C)C ZINC001545807737 1067128258 /nfs/dbraw/zinc/12/82/58/1067128258.db2.gz NLCKXQXAZYZWSK-HSZRJFAPSA-N 2 0 459.082 4.639 20 0 JJADRP CCC(CC)[C@H](Cn1c(Cc2ccccc2C)nnc1N1CC[NH+](C2CCCCC2)CC1)[NH+](C)C ZINC001545817500 1067150012 /nfs/dbraw/zinc/15/00/12/1067150012.db2.gz LCZQVXSIMRQCLS-MHZLTWQESA-N 2 0 480.745 4.998 20 0 JJADRP O=C(C[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001459990041 1067517209 /nfs/dbraw/zinc/51/72/09/1067517209.db2.gz XISYLBFYHOBTCK-DFCKQENNSA-N 2 0 454.058 4.984 20 0 JJADRP O=C(CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1ccc(Br)cc1 ZINC001460168775 1067568762 /nfs/dbraw/zinc/56/87/62/1067568762.db2.gz FSHGURSYAMIERS-UHFFFAOYSA-N 2 0 456.428 4.766 20 0 JJADRP C[C@]1(Cc2ccccc2Cl)CCC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001460403366 1067627324 /nfs/dbraw/zinc/62/73/24/1067627324.db2.gz DJBVGVXPVUHRJM-RUZDIDTESA-N 2 0 458.071 4.925 20 0 JJADRP C[NH+](C)Cc1ccc(C[NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)c2c1OC(F)(F)O2 ZINC001461101052 1067782025 /nfs/dbraw/zinc/78/20/25/1067782025.db2.gz YMQNSWIPIKEQOF-UHFFFAOYSA-N 2 0 452.929 4.561 20 0 JJADRP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cccc(OCc3ccc(F)cc3F)c2)CC1 ZINC001461263156 1067813351 /nfs/dbraw/zinc/81/33/51/1067813351.db2.gz QCFYZIVFSKBSGI-UHFFFAOYSA-N 2 0 452.545 4.790 20 0 JJADRP CC(C)c1[nH+]c(CNc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc[nH+]2)c2ccccn21 ZINC001461666685 1067913923 /nfs/dbraw/zinc/91/39/23/1067913923.db2.gz GEEOIBDYDYVHRB-UHFFFAOYSA-N 2 0 450.587 4.522 20 0 JJADRP Fc1ccc(C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)c(I)c1 ZINC001461669437 1067914250 /nfs/dbraw/zinc/91/42/50/1067914250.db2.gz DFSBYDTXBWWIFT-UHFFFAOYSA-N 2 0 452.355 4.822 20 0 JJADRP COc1cc(Br)c(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1OC ZINC001461815740 1067941375 /nfs/dbraw/zinc/94/13/75/1067941375.db2.gz HFUZMVYAHUYOED-HLAWJBBLSA-N 2 0 459.428 4.857 20 0 JJADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001461986562 1067975268 /nfs/dbraw/zinc/97/52/68/1067975268.db2.gz DFQPIXMWPRIMDF-NEKRIBJYSA-N 2 0 456.030 4.956 20 0 JJADRP COc1ccc(C[C@@](C)(O)C[NH2+]C[C@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC001462312011 1068049378 /nfs/dbraw/zinc/04/93/78/1068049378.db2.gz ZFHKUWUZEHKJIS-VSGBNLITSA-N 2 0 454.655 4.525 20 0 JJADRP O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCCCC34CC[NH2+]CC4)c21 ZINC001164421119 718910948 /nfs/dbraw/zinc/91/09/48/718910948.db2.gz PEOOBQRKRNKMRV-UHFFFAOYSA-N 2 0 481.040 4.509 20 0 JJADRP Clc1ncc2c(c1N1C[C@H]3[NH2+]Cc4ccccc4[C@H]3C1)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164423346 718945004 /nfs/dbraw/zinc/94/50/04/718945004.db2.gz HZXAIZYWXRYPGQ-ZEQKJWHPSA-N 2 0 487.047 4.832 20 0 JJADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@H](COC)[NH+](Cc4ccccn4)C3)CC2)nc1 ZINC001164712219 720152650 /nfs/dbraw/zinc/15/26/50/720152650.db2.gz LCEVUNPYCDSBPC-KAYWLYCHSA-N 2 0 477.697 4.921 20 0 JJADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H](COC)[NH+](Cc4ccccn4)C3)CC2)nc1 ZINC001164713547 720153167 /nfs/dbraw/zinc/15/31/67/720153167.db2.gz RUPZJRKSXLIVPG-IZZNHLLZSA-N 2 0 463.670 4.531 20 0 JJADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H](COCC4CC4)[NH+](CCOC)C3)CC2)nc1 ZINC001164791264 721471433 /nfs/dbraw/zinc/47/14/33/721471433.db2.gz WETIEQRDGPPDHB-SXOMAYOGSA-N 2 0 484.729 4.753 20 0 JJADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@H](COCC4CC4)[NH+](CCOC)C3)CC2)nc1 ZINC001164791256 721471465 /nfs/dbraw/zinc/47/14/65/721471465.db2.gz WETIEQRDGPPDHB-KAYWLYCHSA-N 2 0 484.729 4.753 20 0 JJADRP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)CC2 ZINC001164796226 721504385 /nfs/dbraw/zinc/50/43/85/721504385.db2.gz QDUPAEKHWXENIL-UHFFFAOYSA-N 2 0 488.026 4.933 20 0 JJADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)COCC[NH+](Cc2ccncc2)C3)nc1 ZINC001164963722 722061888 /nfs/dbraw/zinc/06/18/88/722061888.db2.gz CKFHCRSEBUMASD-AREMUKBSSA-N 2 0 463.670 4.533 20 0 JJADRP CC(C)C[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1)[NH+](C)C ZINC001359766422 1064391931 /nfs/dbraw/zinc/39/19/31/1064391931.db2.gz NNDCWEXIHQYARR-UNMCSNQZSA-N 2 0 473.109 4.885 20 0 JJADRP CC(C)C[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1)[NH+](C)C ZINC001359766804 1064394363 /nfs/dbraw/zinc/39/43/63/1064394363.db2.gz USAZACUKSMESJC-FGZHOGPDSA-N 2 0 473.109 4.887 20 0 JJADRP CC(C)C[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC001359770923 1064402722 /nfs/dbraw/zinc/40/27/22/1064402722.db2.gz NMJAXLSMFBTDNE-LADGPHEKSA-N 2 0 454.707 4.554 20 0 JJADRP CC(C)Cc1nnc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001359777367 1064421308 /nfs/dbraw/zinc/42/13/08/1064421308.db2.gz HZOLPOWXPOFUPN-AOYPEHQESA-N 2 0 466.718 4.842 20 0 JJADRP CC(C)Cc1nnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001359777643 1064421997 /nfs/dbraw/zinc/42/19/97/1064421997.db2.gz OQDZBMIKQDZWFX-VWLOTQADSA-N 2 0 466.718 4.698 20 0 JJADRP CC(C)Cc1nnc(N2CCC(C[NH+](C)C(C)C)CC2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001359808680 1064481685 /nfs/dbraw/zinc/48/16/85/1064481685.db2.gz RZZCERRHPSSGAJ-VWLOTQADSA-N 2 0 458.739 4.830 20 0 JJADRP CC(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359833434 1064519036 /nfs/dbraw/zinc/51/90/36/1064519036.db2.gz XOGINYUAQMDGAZ-UBFVSLLYSA-N 2 0 458.739 4.545 20 0 JJADRP CC(C)Cc1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001359855488 1064543575 /nfs/dbraw/zinc/54/35/75/1064543575.db2.gz OTACECJBKFRMBN-DYXSIQFUSA-N 2 0 472.766 4.935 20 0 JJADRP CC(C)Cc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1CCCC[NH+]1CCC(C)CC1 ZINC001359860582 1064549364 /nfs/dbraw/zinc/54/93/64/1064549364.db2.gz JMKFHXZCURZZAR-VWLOTQADSA-N 2 0 466.718 4.699 20 0 JJADRP CC(C)Cc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C[C@H](c1cccs1)[NH+](C)C ZINC001359861575 1064552268 /nfs/dbraw/zinc/55/22/68/1064552268.db2.gz ZOEDTTLRLHITLK-FYYLOGMGSA-N 2 0 466.699 4.552 20 0 JJADRP CC(C)CC[NH+]1CCC(Cn2c([C@H]3CCCCO3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001359948021 1064699176 /nfs/dbraw/zinc/69/91/76/1064699176.db2.gz HUFKVLORYOPMKM-RUZDIDTESA-N 2 0 488.765 4.836 20 0 JJADRP CC(C)CC[NH+]1CCC(Cn2c(Cc3ccc(F)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001359948260 1064699261 /nfs/dbraw/zinc/69/92/61/1064699261.db2.gz LEOJKJCCRSHOKY-UHFFFAOYSA-N 2 0 484.708 4.687 20 0 JJADRP Cc1ccccc1C[NH+]1CCN(c2nnc(CC(C)C)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001492596884 1064901005 /nfs/dbraw/zinc/90/10/05/1064901005.db2.gz XASIUUZOTJLHMC-DQEYMECFSA-N 2 0 480.745 4.865 20 0 JJADRP CC(C)[N@H+](C)CCCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001360097236 1064973059 /nfs/dbraw/zinc/97/30/59/1064973059.db2.gz AKAVHIRIRSWSGJ-UHFFFAOYSA-N 2 0 489.506 4.503 20 0 JJADRP CC(C)[N@H+](C)CCCn1c([C@@H]2CCCCO2)nnc1N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1 ZINC001360100081 1064979612 /nfs/dbraw/zinc/97/96/12/1064979612.db2.gz GOZSSVNDDBBZCO-ZCYQVOJMSA-N 2 0 474.738 4.731 20 0 JJADRP CC(C)[NH+](CCn1c(CC(C)(C)C)nnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C(C)C ZINC001360133301 1065028209 /nfs/dbraw/zinc/02/82/09/1065028209.db2.gz QXLMLCBJHHKJIF-PLQXJYEYSA-N 2 0 466.718 4.554 20 0 JJADRP CC(C)[N@@H+]1CCCN(c2nnc(Cc3ccsc3)n2CCC[NH+](C)C2CCCCC2)CC1 ZINC001360147246 1065049452 /nfs/dbraw/zinc/04/94/52/1065049452.db2.gz NYVQBJUPOQUQPE-UHFFFAOYSA-N 2 0 458.720 4.506 20 0 JJADRP CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001360233735 1065093384 /nfs/dbraw/zinc/09/33/84/1065093384.db2.gz PSWKKQLBBIIURM-LSCGWGKXSA-N 2 0 480.672 4.549 20 0 JJADRP CC(C)[NH2+]C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001360309014 1065144537 /nfs/dbraw/zinc/14/45/37/1065144537.db2.gz RBGDVPWBOWAGOE-UHFFFAOYSA-N 2 0 461.098 4.608 20 0 JJADRP CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001360309726 1065146031 /nfs/dbraw/zinc/14/60/31/1065146031.db2.gz KIQWASSAXULZGY-NRFANRHFSA-N 2 0 482.717 4.604 20 0 JJADRP CC(C)[N@@H+]1CCCN(c2nnc(CC3CCCC3)n2CC[C@@H](C)[NH+](C)Cc2ccccc2)CC1 ZINC001360509929 1065451601 /nfs/dbraw/zinc/45/16/01/1065451601.db2.gz AFBVNCAVFIICLQ-XMMPIXPASA-N 2 0 466.718 4.842 20 0 JJADRP C[C@@H](CCn1c(N2CCC(C[NH+]3CCCCCC3)CC2)nnc1C(C)(C)C)[NH+]1CCCCC1 ZINC001360511187 1065456423 /nfs/dbraw/zinc/45/64/23/1065456423.db2.gz UVTLGUITVROYPW-QHCPKHFHSA-N 2 0 458.739 4.933 20 0 JJADRP C[C@H](CCn1c([C@H]2CCCO2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC001360514159 1065465264 /nfs/dbraw/zinc/46/52/64/1065465264.db2.gz OMWJQXPQENCNKB-ILBGXUMGSA-N 2 0 482.717 4.598 20 0 JJADRP C[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1)[NH+](C)C ZINC001360542065 1065530902 /nfs/dbraw/zinc/53/09/02/1065530902.db2.gz XAKSJVOAPZCRBH-FGZHOGPDSA-N 2 0 452.691 4.505 20 0 JJADRP C[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1)[NH+](C)C ZINC001360587140 1065588485 /nfs/dbraw/zinc/58/84/85/1065588485.db2.gz LHUDLSCESGWKIF-IBGZPJMESA-N 2 0 477.122 4.629 20 0 JJADRP C[C@@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)C[NH+]1CCCC1 ZINC001360592599 1065601604 /nfs/dbraw/zinc/60/16/04/1065601604.db2.gz YORYFIGTYJSXDU-YADHBBJMSA-N 2 0 486.680 4.600 20 0 JJADRP C[C@H](Cn1c(CCCc2ccccc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)C[NH+]1CCCCC1 ZINC001360602139 1065626386 /nfs/dbraw/zinc/62/63/86/1065626386.db2.gz MSQNEJFKROUWKK-VWLOTQADSA-N 2 0 480.745 4.886 20 0 JJADRP C[C@@H]([NH2+]C(C)(C)Cn1c(CC(C)(C)C)nnc1N1CC[NH+](C2CCC2)CC1)c1ccccc1 ZINC001360644702 1065719431 /nfs/dbraw/zinc/71/94/31/1065719431.db2.gz BHOJTTQPNCYZRD-OAQYLSRUSA-N 2 0 452.691 4.671 20 0 JJADRP CC(C)[N@@H+]1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2[NH+](C)CCCC2(C)C)CC1 ZINC001360745896 1065786383 /nfs/dbraw/zinc/78/63/83/1065786383.db2.gz QCSRWVAQVVKJPK-URXFXBBRSA-N 2 0 486.680 4.598 20 0 JJADRP CC(C)[NH+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001360749005 1065790810 /nfs/dbraw/zinc/79/08/10/1065790810.db2.gz JYLYNVCSLYWDFF-BWKNWUBXSA-N 2 0 486.680 4.598 20 0 JJADRP O=C(NCCC[NH+]1CCCCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001440676133 1065963324 /nfs/dbraw/zinc/96/33/24/1065963324.db2.gz WXGGPCHJVQGWJC-IZZNHLLZSA-N 2 0 454.058 4.938 20 0 JJADRP Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@H](C)[NH+](C)C ZINC001360911196 1066068105 /nfs/dbraw/zinc/06/81/05/1066068105.db2.gz YGDBXXVKZPIGSF-LJQANCHMSA-N 2 0 481.714 4.638 20 0 JJADRP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC001360996406 1066175100 /nfs/dbraw/zinc/17/51/00/1066175100.db2.gz JEUCDAZUHSUIAY-OTPAQWSUSA-N 2 0 455.668 4.814 20 0 JJADRP CC[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](C(C)C)CC1)[NH+]1CCCC1 ZINC001545962851 1066376480 /nfs/dbraw/zinc/37/64/80/1066376480.db2.gz LIKZZCCYTQUUSI-DEOSSOPVSA-N 2 0 452.691 4.647 20 0 JJADRP Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001361125955 1066381382 /nfs/dbraw/zinc/38/13/82/1066381382.db2.gz IAXJBYWWJOJGJG-CCDWMCETSA-N 2 0 496.744 4.938 20 0 JJADRP Cc1ccc([C@H](Cn2c(CC(C)(C)C)nnc2N2CC[NH+](C(C)(C)C)CC2)[NH+]2CCCC2)cc1 ZINC001361139914 1066416446 /nfs/dbraw/zinc/41/64/46/1066416446.db2.gz RLVXBEQZDBIAAR-DEOSSOPVSA-N 2 0 466.718 4.933 20 0 JJADRP Cc1ccc([C@H](Cn2c(CC(C)C)nnc2N2CC[NH+](C(C)(C)C)CC2)[NH+]2CCCC2)cc1 ZINC001361140476 1066417834 /nfs/dbraw/zinc/41/78/34/1066417834.db2.gz BURRZUWNMKYWDC-DEOSSOPVSA-N 2 0 452.691 4.543 20 0 JJADRP Cc1ccc(C)c(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)c1 ZINC001361158647 1066461827 /nfs/dbraw/zinc/46/18/27/1066461827.db2.gz DVGVWBBMNJDXDW-NOZRDPDXSA-N 2 0 482.717 4.515 20 0 JJADRP Cc1ccc(C)c(OCc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC[N@@H+](C)C2CCCC2)c1 ZINC001361162008 1066468466 /nfs/dbraw/zinc/46/84/66/1066468466.db2.gz FPYTXIMARFVBMD-UHFFFAOYSA-N 2 0 496.744 4.907 20 0 JJADRP Cc1ccc(-c2nnc(N3CCC[C@@H](C[NH+]4CCCCCC4)C3)n2C[C@H](CC(C)C)[NH+](C)C)o1 ZINC001361212569 1066547430 /nfs/dbraw/zinc/54/74/30/1066547430.db2.gz NOQSYISJTQLEBI-ZEQRLZLVSA-N 2 0 470.706 4.915 20 0 JJADRP Cc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCCCCCC[NH+]2CCCC2)o1 ZINC001361221008 1066558921 /nfs/dbraw/zinc/55/89/21/1066558921.db2.gz LIPPSZCQHLBSGL-UHFFFAOYSA-N 2 0 456.679 4.813 20 0 JJADRP Cc1nnc(N(C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492776927 1066947096 /nfs/dbraw/zinc/94/70/96/1066947096.db2.gz JZXGPYBVTCRAAM-JPYYHWIRSA-N 2 0 466.718 4.834 20 0 JJADRP CC[C@H](c1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1CC[N@@H+]1CCC[C@H]1C)c1ccccc1 ZINC001545752494 1067028032 /nfs/dbraw/zinc/02/80/32/1067028032.db2.gz YITRVHYSTXNMJO-VWNXMTODSA-N 2 0 452.691 4.615 20 0 JJADRP CCC(CC)[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](C(C)(C)C)CC1)[NH+](C)C ZINC001545804719 1067116280 /nfs/dbraw/zinc/11/62/80/1067116280.db2.gz ADUFVRQKOZBSTP-JOCHJYFZSA-N 2 0 492.659 4.833 20 0 JJADRP CCC(CC)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)[NH+](C)C ZINC001545805776 1067121574 /nfs/dbraw/zinc/12/15/74/1067121574.db2.gz RWSXWSPKZCDTNC-XZOQPEGZSA-N 2 0 459.082 4.639 20 0 JJADRP CCC(CC)[C@H](Cn1c(-c2cccc3cccnc32)nnc1N1CC[NH+](C(C)(C)C)CC1)[NH+](C)C ZINC001545807697 1067127528 /nfs/dbraw/zinc/12/75/28/1067127528.db2.gz MSCFFOFMHRVVDH-DEOSSOPVSA-N 2 0 477.701 4.780 20 0 JJADRP CCC(CC)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1)[NH+](C)C ZINC001545815540 1067145189 /nfs/dbraw/zinc/14/51/89/1067145189.db2.gz RHEYKDPEKPTZII-AFESJLNVSA-N 2 0 488.765 4.631 20 0 JJADRP CCC(CC)[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1)[NH+](C)C ZINC001545817118 1067146433 /nfs/dbraw/zinc/14/64/33/1067146433.db2.gz FBZWBRATYCTIDJ-QHCPKHFHSA-N 2 0 475.125 4.809 20 0 JJADRP CCC(CC)[C@H](Cn1c(Cc2ccccc2F)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)[NH+](C)C ZINC001545817548 1067149946 /nfs/dbraw/zinc/14/99/46/1067149946.db2.gz LLPAVWNQAXHVSS-RLWLMLJZSA-N 2 0 484.708 4.685 20 0 JJADRP CCC(CC)[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)[NH+](C)C ZINC001545817733 1067151269 /nfs/dbraw/zinc/15/12/69/1067151269.db2.gz ORZBSVWFCXNFIN-LOSJGSFVSA-N 2 0 487.136 4.953 20 0 JJADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](CCc3ccc(Cl)cc3)CC3CC3)CC2)cc1 ZINC001459495616 1067338269 /nfs/dbraw/zinc/33/82/69/1067338269.db2.gz XQHXTJOJIOHAAH-UHFFFAOYSA-N 2 0 454.058 4.637 20 0 JJADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001459609469 1067362776 /nfs/dbraw/zinc/36/27/76/1067362776.db2.gz MPQQSNBQSWICFK-FDDCHVKYSA-N 2 0 451.438 4.734 20 0 JJADRP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+][C@@H](C)C(c3ccccc3)c3ccccc3)cc2)CC1 ZINC001459923113 1067493273 /nfs/dbraw/zinc/49/32/73/1067493273.db2.gz GZWYHGMDTKYIJC-QHCPKHFHSA-N 2 0 456.634 4.577 20 0 JJADRP Cc1ccccc1C[NH+]1CCC(NC(=O)CN(Cc2ccc(F)cc2Cl)CC2CC2)CC1 ZINC001460102131 1067555529 /nfs/dbraw/zinc/55/55/29/1067555529.db2.gz ULMCNXQFEIJYKN-UHFFFAOYSA-N 2 0 458.021 4.780 20 0 JJADRP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@](C)(Cc3ccc(Cl)cc3)C(C)C)CC2)cc1 ZINC001460149309 1067565339 /nfs/dbraw/zinc/56/53/39/1067565339.db2.gz IKLDTNPFSLSZNP-MHZLTWQESA-N 2 0 456.074 4.930 20 0 JJADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@@]2(C)Cc2cccc(Cl)c2)CC1 ZINC001460341961 1067612465 /nfs/dbraw/zinc/61/24/65/1067612465.db2.gz SXRCZOFUUFKPFZ-MHZLTWQESA-N 2 0 454.058 4.780 20 0 JJADRP CCOC(=O)c1c2c(sc1NC(=O)C[N@H+](C)C[C@H](C)C(C)(C)C)C(C)(C)[NH2+]C(C)(C)C2 ZINC001460742183 1067713449 /nfs/dbraw/zinc/71/34/49/1067713449.db2.gz BNIBFNDUFDVIAC-HNNXBMFYSA-N 2 0 451.677 4.637 20 0 JJADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cc(Br)cc(Br)c2N)c1 ZINC001461054098 1067771019 /nfs/dbraw/zinc/77/10/19/1067771019.db2.gz UOBAAEXKIWBJPM-UHFFFAOYSA-N 2 0 455.238 4.925 20 0 JJADRP Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c1 ZINC001461408107 1067848569 /nfs/dbraw/zinc/84/85/69/1067848569.db2.gz QKKZJVYBSXAOGK-UHFFFAOYSA-N 2 0 459.569 4.612 20 0 JJADRP CCCC1(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CCN(C(=O)OC(C)(C)C)CC1 ZINC001461993881 1067976580 /nfs/dbraw/zinc/97/65/80/1067976580.db2.gz FBSGODWFIDTMLW-XMMPIXPASA-N 2 0 459.675 4.550 20 0 JJADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3c(Br)cc(F)c(F)c3N3CCCCC3)C[C@@H]2C1 ZINC001462655429 1068125782 /nfs/dbraw/zinc/12/57/82/1068125782.db2.gz QZZAKZDROCYQFS-IXDOHACOSA-N 2 0 456.419 4.880 20 0 JJADRP COc1cccc([C@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)[NH+](C)C)c1 ZINC001463771833 1068519779 /nfs/dbraw/zinc/51/97/79/1068519779.db2.gz VSNBXCIVSCPQLD-NHKHRBQYSA-N 2 0 471.645 4.638 20 0 JJADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCC2(F)F)cc1 ZINC001464165994 1068640318 /nfs/dbraw/zinc/64/03/18/1068640318.db2.gz AEECZXYHZVANAV-BWKNWUBXSA-N 2 0 455.593 4.835 20 0 JJADRP CC(C)(C)[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001464536052 1068775022 /nfs/dbraw/zinc/77/50/22/1068775022.db2.gz LJIHOEUXOYALPT-LOSJGSFVSA-N 2 0 454.058 4.888 20 0 JJADRP CC(C)C[NH+]1CCN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3)CC1 ZINC001164657196 719336683 /nfs/dbraw/zinc/33/66/83/719336683.db2.gz BCNOQRMULBUUQY-UHFFFAOYSA-N 2 0 455.046 4.535 20 0 JJADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)C[NH+](Cc2cccs2)CCO3)nc1 ZINC001164706955 719902796 /nfs/dbraw/zinc/90/27/96/719902796.db2.gz MCXQEYICEADRNL-XMMPIXPASA-N 2 0 454.684 4.952 20 0 JJADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3c1ccn3Cc1ccccc1)CC2 ZINC001164717485 720123798 /nfs/dbraw/zinc/12/37/98/720123798.db2.gz PLRXTTUQBSCDBT-SANMLTNESA-N 2 0 481.644 4.987 20 0 JJADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H](COCC4CC4)[NH+](CCOC)C3)CC2)nc1 ZINC001164791260 721471342 /nfs/dbraw/zinc/47/13/42/721471342.db2.gz WETIEQRDGPPDHB-RRPNLBNLSA-N 2 0 484.729 4.753 20 0 JJADRP FC1(F)CCN(c2ccc3c(n2)CC[NH+](Cc2ccccc2)C3)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906130 721696624 /nfs/dbraw/zinc/69/66/24/721696624.db2.gz LQOJYUVBRSIVHS-NDEPHWFRSA-N 2 0 489.614 4.773 20 0 JJADRP c1cn(Cc2ccccc2)c2cc[nH+]c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c12 ZINC001164964074 722057253 /nfs/dbraw/zinc/05/72/53/722057253.db2.gz RFQDOIKGMLEELL-UHFFFAOYSA-N 2 0 467.617 4.599 20 0 JJADRP CC(C)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001359720619 1064268079 /nfs/dbraw/zinc/26/80/79/1064268079.db2.gz YOWISNJMQRIKAX-UHFFFAOYSA-N 2 0 466.718 4.994 20 0 JJADRP CC(C)C[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)[NH+](C)C ZINC001359766420 1064391867 /nfs/dbraw/zinc/39/18/67/1064391867.db2.gz NNDCWEXIHQYARR-IRLDBZIGSA-N 2 0 473.109 4.885 20 0 JJADRP CC(C)C[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+](C)C ZINC001359766836 1064394640 /nfs/dbraw/zinc/39/46/40/1064394640.db2.gz VOKXXXPIIBWYBX-UXHICEINSA-N 2 0 479.500 4.903 20 0 JJADRP CC(C)C[C@@H](Cn1c(Cc2ccsc2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC001359770991 1064403755 /nfs/dbraw/zinc/40/37/55/1064403755.db2.gz OSRMYUAGWZOIJJ-DHLKQENFSA-N 2 0 480.726 4.617 20 0 JJADRP CC(C)Cc1nnc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001359802059 1064469677 /nfs/dbraw/zinc/46/96/77/1064469677.db2.gz GYUDCNKULOHAQH-DQEYMECFSA-N 2 0 466.718 4.842 20 0 JJADRP CC(C)Cc1nnc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001359802061 1064469707 /nfs/dbraw/zinc/46/97/07/1064469707.db2.gz GYUDCNKULOHAQH-LOSJGSFVSA-N 2 0 466.718 4.842 20 0 JJADRP CC(C)Cc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001359832690 1064516469 /nfs/dbraw/zinc/51/64/69/1064516469.db2.gz NOYWETKCAXENMP-ISJGIBHGSA-N 2 0 458.739 4.688 20 0 JJADRP CC(C)Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001359848717 1064534166 /nfs/dbraw/zinc/53/41/66/1064534166.db2.gz BLCMSKRNSKHNPE-RUZDIDTESA-N 2 0 466.718 4.699 20 0 JJADRP C[C@H](CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1)[NH+](C)Cc1ccccc1 ZINC001435426178 1064751185 /nfs/dbraw/zinc/75/11/85/1064751185.db2.gz YVMVITCPLUFUNS-DNRSQYFGSA-N 2 0 461.675 4.991 20 0 JJADRP CC(C)C[N@@H+]1CCC[C@H](Cn2c(N3CC[C@@H]([NH+](C)Cc4ccccc4)C3)nnc2C(C)(C)C)C1 ZINC001360012815 1064811435 /nfs/dbraw/zinc/81/14/35/1064811435.db2.gz WSISUXOTCUTMEC-LOSJGSFVSA-N 2 0 466.718 4.654 20 0 JJADRP CC(C)C[NH+]1CCN(c2nnc(CC(C)(C)C)n2CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001360028199 1064830292 /nfs/dbraw/zinc/83/02/92/1064830292.db2.gz YRFVRXFXJMWQOR-RSXGOPAZSA-N 2 0 480.745 4.945 20 0 JJADRP CC(C)C[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCC[NH+]2CCCCC2)CC1 ZINC001360033463 1064836133 /nfs/dbraw/zinc/83/61/33/1064836133.db2.gz ALKNLFZSVJNJRS-UHFFFAOYSA-N 2 0 496.744 4.809 20 0 JJADRP CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2[NH+](C)CCCC2(C)C)CC1 ZINC001360092775 1064963966 /nfs/dbraw/zinc/96/39/66/1064963966.db2.gz SFXFBWNYPFVMKS-DEOSSOPVSA-N 2 0 452.691 4.622 20 0 JJADRP CC(C)[N@H+](C)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[NH+](C2CCCC2)CC1 ZINC001360097544 1064975698 /nfs/dbraw/zinc/97/56/98/1064975698.db2.gz KKWPHACGYBSYET-UHFFFAOYSA-N 2 0 459.082 4.784 20 0 JJADRP CC(C)[N@H+](C)CCCn1c(N2CCC3(CC[NH+](Cc4ccccc4)C3)CC2)nnc1C(C)(C)C ZINC001360103808 1064984052 /nfs/dbraw/zinc/98/40/52/1064984052.db2.gz YNYXJCDJEGSKEG-UHFFFAOYSA-N 2 0 466.718 4.798 20 0 JJADRP CC(C)[NH+](CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](C(C)(C)C)CC1)C(C)C ZINC001360126695 1065020740 /nfs/dbraw/zinc/02/07/40/1065020740.db2.gz VVNMFCJJDWAVSA-DHIUTWEWSA-N 2 0 476.754 4.626 20 0 JJADRP CC(C)[NH+](CCn1c(-c2cccc3cccnc32)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)C(C)C ZINC001360128926 1065024392 /nfs/dbraw/zinc/02/43/92/1065024392.db2.gz PFUFBRVVKMDDRQ-UHFFFAOYSA-N 2 0 477.701 4.923 20 0 JJADRP CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001360144240 1065046053 /nfs/dbraw/zinc/04/60/53/1065046053.db2.gz XVJBTHDGCJCZKN-UHFFFAOYSA-N 2 0 477.072 4.923 20 0 JJADRP CC(C)[N@@H+]1CCCN(c2nnc(-c3ccccc3Br)n2CCC[NH+]2CCCCC2)CC1 ZINC001360144696 1065046729 /nfs/dbraw/zinc/04/67/29/1065046729.db2.gz SLWNYQTUDABKSD-UHFFFAOYSA-N 2 0 489.506 4.504 20 0 JJADRP CC(C)[N@@H+]1CCCN(c2nnc(CCCc3ccccc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001360147449 1065049983 /nfs/dbraw/zinc/04/99/83/1065049983.db2.gz WPUZRBJUONYDPL-MHZLTWQESA-N 2 0 480.745 4.884 20 0 JJADRP CC(C)[NH+](CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[NH+](C(C)C)CC1)C(C)C ZINC001360149428 1065052558 /nfs/dbraw/zinc/05/25/58/1065052558.db2.gz NZKKHOPCQMZUFK-UHFFFAOYSA-N 2 0 472.747 4.925 20 0 JJADRP CC(C)[NH2+]C1CCN(c2nnc(CCCc3ccccc3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001360310071 1065147247 /nfs/dbraw/zinc/14/72/47/1065147247.db2.gz XVMCVXRMPWOTTO-UHFFFAOYSA-N 2 0 466.718 4.685 20 0 JJADRP CC[NH+](CC)CCOC(=O)c1cccc(C)c1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001436174017 1065229205 /nfs/dbraw/zinc/22/92/05/1065229205.db2.gz DAHUHJGJFOQETK-UHFFFAOYSA-N 2 0 451.611 4.732 20 0 JJADRP C[C@H](c1ccccc1F)N(C)c1nnc(C(C)(C)C)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001360452718 1065347331 /nfs/dbraw/zinc/34/73/31/1065347331.db2.gz QQCVJBRYMYOAFF-OAQYLSRUSA-N 2 0 479.648 4.519 20 0 JJADRP C[C@@H](CCn1c(CC(C)(C)C)nnc1N1CC[NH+](CCc2cccs2)CC1)[NH+]1CCCCC1 ZINC001360510947 1065455768 /nfs/dbraw/zinc/45/57/68/1065455768.db2.gz RNLHNBQBWFMLJT-QFIPXVFZSA-N 2 0 472.747 4.557 20 0 JJADRP C[C@H](CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001360511165 1065456372 /nfs/dbraw/zinc/45/63/72/1065456372.db2.gz ULWWPEFHZURBHQ-OAQYLSRUSA-N 2 0 489.108 4.696 20 0 JJADRP C[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC001360598631 1065618879 /nfs/dbraw/zinc/61/88/79/1065618879.db2.gz CHMKUHJGFHMKNO-AOYPEHQESA-N 2 0 480.745 4.947 20 0 JJADRP C[C@H](Cn1c(CC(C)(C)C)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC001360598632 1065618909 /nfs/dbraw/zinc/61/89/09/1065618909.db2.gz CHMKUHJGFHMKNO-AZGAKELHSA-N 2 0 480.745 4.947 20 0 JJADRP CC(C)[N@@H+]1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H]2[NH+](C)CCCC2(C)C)CC1 ZINC001360745895 1065786561 /nfs/dbraw/zinc/78/65/61/1065786561.db2.gz QCSRWVAQVVKJPK-QPPBQGQZSA-N 2 0 486.680 4.598 20 0 JJADRP C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC[NH+]1CCCCCC1 ZINC001360759943 1065830564 /nfs/dbraw/zinc/83/05/64/1065830564.db2.gz DZDRKHCVZTVOHX-OAQYLSRUSA-N 2 0 489.108 4.868 20 0 JJADRP C[C@H](Oc1ccccc1F)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001360770152 1065865386 /nfs/dbraw/zinc/86/53/86/1065865386.db2.gz UFZXBJLMAOLFRF-NRFANRHFSA-N 2 0 486.680 4.600 20 0 JJADRP CCc1ccc([C@@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)[NH+](C)C)cc1 ZINC001440672058 1065961779 /nfs/dbraw/zinc/96/17/79/1065961779.db2.gz LLFWBRNAAKHASJ-TWJOJJKGSA-N 2 0 461.675 4.945 20 0 JJADRP COc1cccc([C@H](CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)[NH+](C)C)c1 ZINC001440680878 1065964732 /nfs/dbraw/zinc/96/47/32/1065964732.db2.gz YMVAGOHFDLQQAO-OYKXOOMRSA-N 2 0 471.645 4.504 20 0 JJADRP Cc1cccc(O[C@@H](C)c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC[N@H+](C)C2CCCC2)c1C ZINC001360875053 1066016379 /nfs/dbraw/zinc/01/63/79/1066016379.db2.gz XFEHNXGGUQRUMO-QHCPKHFHSA-N 2 0 482.717 4.876 20 0 JJADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)C1 ZINC001442262591 1066109545 /nfs/dbraw/zinc/10/95/45/1066109545.db2.gz XCESGAXZLOQMJR-PUPFEQFDSA-N 2 0 461.694 4.949 20 0 JJADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC001442925261 1066241790 /nfs/dbraw/zinc/24/17/90/1066241790.db2.gz SGLHWOKUEPVGAZ-QFIPXVFZSA-N 2 0 459.719 4.794 20 0 JJADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC001442925254 1066241919 /nfs/dbraw/zinc/24/19/19/1066241919.db2.gz SGLHWOKUEPVGAZ-JOCHJYFZSA-N 2 0 459.719 4.794 20 0 JJADRP CC[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C)[NH+]1CCCC1 ZINC001545964221 1066403295 /nfs/dbraw/zinc/40/32/95/1066403295.db2.gz ABOFRHNDMFJTTD-NLWGTHIKSA-N 2 0 463.045 4.531 20 0 JJADRP CC[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C)[NH+]1CCCC1 ZINC001545964223 1066403450 /nfs/dbraw/zinc/40/34/50/1066403450.db2.gz ABOFRHNDMFJTTD-WSTZPKSXSA-N 2 0 463.045 4.531 20 0 JJADRP Cc1ccc(C)c(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)c1 ZINC001361158651 1066462020 /nfs/dbraw/zinc/46/20/20/1066462020.db2.gz DVGVWBBMNJDXDW-ZCYQVOJMSA-N 2 0 482.717 4.515 20 0 JJADRP CN(Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1 ZINC001444461691 1066462526 /nfs/dbraw/zinc/46/25/26/1066462526.db2.gz VFUFJFQISYDNNX-RUZDIDTESA-N 2 0 451.998 4.846 20 0 JJADRP C[NH+](C)CCCOc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)cc1 ZINC001456171339 1066528027 /nfs/dbraw/zinc/52/80/27/1066528027.db2.gz RNBJVPNBSMXBAQ-JWQCQUIFSA-N 2 0 463.647 4.933 20 0 JJADRP Cc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC[C@@H](C)[NH+](C)Cc2ccccc2)o1 ZINC001361218177 1066553871 /nfs/dbraw/zinc/55/38/71/1066553871.db2.gz OLSXUOGUARQMJJ-JOCHJYFZSA-N 2 0 464.658 4.678 20 0 JJADRP Cc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)o1 ZINC001361226007 1066564531 /nfs/dbraw/zinc/56/45/31/1066564531.db2.gz SZXSEFHJXBXDIQ-KDYSTLNUSA-N 2 0 470.706 4.915 20 0 JJADRP CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC001545994732 1066795543 /nfs/dbraw/zinc/79/55/43/1066795543.db2.gz FFDLDYZSZWJALE-ILBGXUMGSA-N 2 0 466.718 4.842 20 0 JJADRP C[C@@H]1C[C@@H](NC(=O)[C@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001457241315 1066797010 /nfs/dbraw/zinc/79/70/10/1066797010.db2.gz UQSKOFDCIZPBIX-PBXXJUDPSA-N 2 0 459.556 4.610 20 0 JJADRP CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@H](C[NH+](CC)CC)C1)[N@@H+]1CCc2ccccc2C1 ZINC001545994816 1066797002 /nfs/dbraw/zinc/79/70/02/1066797002.db2.gz GUBPNMRSDCZJTC-BVAGGSTKSA-N 2 0 480.745 4.872 20 0 JJADRP CC[C@H](Cn1c(CC(C)C)nnc1N1CCC([NH+](CC)CC)CC1)[N@@H+]1CCc2ccccc2C1 ZINC001545995430 1066805866 /nfs/dbraw/zinc/80/58/66/1066805866.db2.gz SBYQNJWMOCZIQH-RUZDIDTESA-N 2 0 466.718 4.624 20 0 JJADRP Cc1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001492847278 1066957756 /nfs/dbraw/zinc/95/77/56/1066957756.db2.gz JHWUMIFHQZXGKD-LADGPHEKSA-N 2 0 452.691 4.808 20 0 JJADRP CC[C@@H](c1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1C[C@@H](C)[NH+](C)C)c1ccccc1 ZINC001545746788 1067015773 /nfs/dbraw/zinc/01/57/73/1067015773.db2.gz UYTBGLUBJSGVKY-RMTZWNOUSA-N 2 0 466.718 4.718 20 0 JJADRP CCc1ccc([C@@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)[NH+](CC)CC)cc1 ZINC001450482478 1067084650 /nfs/dbraw/zinc/08/46/50/1067084650.db2.gz LJQXDHJMAVEFML-LOSJGSFVSA-N 2 0 457.609 4.906 20 0 JJADRP CCc1ccc([C@@H](CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)[NH+](CC)CC)cc1 ZINC001450482469 1067084833 /nfs/dbraw/zinc/08/48/33/1067084833.db2.gz LJQXDHJMAVEFML-JWQCQUIFSA-N 2 0 457.609 4.906 20 0 JJADRP CCC(CC)[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+](C)C ZINC001545804779 1067116175 /nfs/dbraw/zinc/11/61/75/1067116175.db2.gz BHKRYHRQWYMZKL-XRODADMRSA-N 2 0 486.680 4.598 20 0 JJADRP CCC(CC)[C@@H](Cn1c(Cc2ccccc2C)nnc1N1CC[NH+](C2CCCCC2)CC1)[NH+](C)C ZINC001545817499 1067149873 /nfs/dbraw/zinc/14/98/73/1067149873.db2.gz LCZQVXSIMRQCLS-HHHXNRCGSA-N 2 0 480.745 4.998 20 0 JJADRP CCC(CC)[C@H](Cn1c(Cc2ccsc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)[NH+](C)C ZINC001545819844 1067156173 /nfs/dbraw/zinc/15/61/73/1067156173.db2.gz NEZZBCBFYFKASY-QFIPXVFZSA-N 2 0 460.736 4.607 20 0 JJADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001459609471 1067362664 /nfs/dbraw/zinc/36/26/64/1067362664.db2.gz MPQQSNBQSWICFK-JPYJTQIMSA-N 2 0 451.438 4.734 20 0 JJADRP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001460172252 1067569526 /nfs/dbraw/zinc/56/95/26/1067569526.db2.gz PMTDIVCHCFWFQQ-LJQANCHMSA-N 2 0 456.428 4.764 20 0 JJADRP CSc1ccc(OC[C@@H](O)C[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001460538442 1067653286 /nfs/dbraw/zinc/65/32/86/1067653286.db2.gz CLAVRXOWCYNORN-JYFHCDHNSA-N 2 0 454.680 4.771 20 0 JJADRP CN(c1ccccc1C[NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC[NH+](C)CC1 ZINC001461406432 1067847720 /nfs/dbraw/zinc/84/77/20/1067847720.db2.gz MGWYPTJVEBZPAG-HFZDXXHNSA-N 2 0 459.053 4.792 20 0 JJADRP CN(c1ccccc1C[NH2+]CCc1ccc(Br)cc1Cl)C1CC[NH+](C)CC1 ZINC001461537840 1067884458 /nfs/dbraw/zinc/88/44/58/1067884458.db2.gz MDAQNZYAGUEYSS-UHFFFAOYSA-N 2 0 450.852 4.965 20 0 JJADRP CCCC1(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CCN(C(=O)OC(C)(C)C)CC1 ZINC001461993877 1067976599 /nfs/dbraw/zinc/97/65/99/1067976599.db2.gz FBSGODWFIDTMLW-DEOSSOPVSA-N 2 0 459.675 4.550 20 0 JJADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)CC1 ZINC001462110844 1068006379 /nfs/dbraw/zinc/00/63/79/1068006379.db2.gz NMNDWPFWGFMDHC-MBSDFSHPSA-N 2 0 451.577 4.943 20 0 JJADRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3c(Br)cc(F)c(F)c3N3CCCCC3)C[C@H]2C1 ZINC001462655426 1068125875 /nfs/dbraw/zinc/12/58/75/1068125875.db2.gz QZZAKZDROCYQFS-GVDBMIGSSA-N 2 0 456.419 4.880 20 0 JJADRP Cc1ccc([C@@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)[NH+](C)C)cc1 ZINC001464548078 1068778508 /nfs/dbraw/zinc/77/85/08/1068778508.db2.gz VMFRBTHDPTWESB-ZGIBFIJWSA-N 2 0 455.646 4.938 20 0 JJADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)C[NH+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164747898 720930493 /nfs/dbraw/zinc/93/04/93/720930493.db2.gz DQNSWQPSAQYXNJ-LXQNXJGFSA-N 2 0 489.708 4.779 20 0 JJADRP Cc1cccc(N(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164777413 721329421 /nfs/dbraw/zinc/32/94/21/721329421.db2.gz MZTLFIAWPOVMNI-WNJJXGMVSA-N 2 0 454.618 4.607 20 0 JJADRP C[NH+](C)CC1CCN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3)CC1 ZINC001165044614 721947985 /nfs/dbraw/zinc/94/79/85/721947985.db2.gz GPNCZTOBXOXTAX-UHFFFAOYSA-N 2 0 455.046 4.535 20 0 JJADRP CC(C)C[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1)[NH+](C)C ZINC001359770281 1064402024 /nfs/dbraw/zinc/40/20/24/1064402024.db2.gz CGVQIWIWEWCBQT-RUZDIDTESA-N 2 0 487.136 4.953 20 0 JJADRP CC(C)Cc1nnc(N2CC[C@@H](C)[NH+](Cc3ccccc3)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001359802802 1064471597 /nfs/dbraw/zinc/47/15/97/1064471597.db2.gz WGIYDUGOFIGUDO-NOZRDPDXSA-N 2 0 466.718 4.698 20 0 JJADRP CC(C)Cc1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001359833352 1064518597 /nfs/dbraw/zinc/51/85/97/1064518597.db2.gz WSBBHJYABOQACK-ZEQRLZLVSA-N 2 0 458.739 4.545 20 0 JJADRP CC(C)Cc1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001359860607 1064549597 /nfs/dbraw/zinc/54/95/97/1064549597.db2.gz JUORPPXDXRYIKB-QFIPXVFZSA-N 2 0 458.720 4.543 20 0 JJADRP CC(C)Cc1nnc(N2CC[NH+](Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001359861318 1064550623 /nfs/dbraw/zinc/55/06/23/1064550623.db2.gz RCFBIMVGLYNSFV-RSXGOPAZSA-N 2 0 466.718 4.555 20 0 JJADRP CC(C)CC[NH+]1CCC(Cn2c([C@@H]3CCCCO3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001359948022 1064699305 /nfs/dbraw/zinc/69/93/05/1064699305.db2.gz HUFKVLORYOPMKM-VWLOTQADSA-N 2 0 488.765 4.836 20 0 JJADRP CC(C)CCOc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001359955022 1064722735 /nfs/dbraw/zinc/72/27/35/1064722735.db2.gz PMFZXHWKHJLBNB-UHFFFAOYSA-N 2 0 484.733 4.878 20 0 JJADRP CC(C)C[NH+]1CCN(c2nnc(CC(C)(C)C)n2CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001360028198 1064830200 /nfs/dbraw/zinc/83/02/00/1064830200.db2.gz YRFVRXFXJMWQOR-AZGAKELHSA-N 2 0 480.745 4.945 20 0 JJADRP CC(C)C[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001360030531 1064832594 /nfs/dbraw/zinc/83/25/94/1064832594.db2.gz LHHICZYCJZBXQD-JOCHJYFZSA-N 2 0 488.671 4.580 20 0 JJADRP CC(C)[N@H+](C)Cc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001360091628 1064959212 /nfs/dbraw/zinc/95/92/12/1064959212.db2.gz ALPVKKSHZYRQCS-UHFFFAOYSA-N 2 0 475.685 4.539 20 0 JJADRP CC(C)[N@H+](C)Cc1ccccc1Cn1c(N2CC[NH+](C3CCCCC3)CC2)nnc1C(C)(C)C ZINC001360092843 1064963710 /nfs/dbraw/zinc/96/37/10/1064963710.db2.gz UYSGJJQQTZRAEX-UHFFFAOYSA-N 2 0 466.718 4.919 20 0 JJADRP CC(C)[N@H+](C)Cc1ccccc1Cn1c(N2CC[C@@H]([NH+]3CCCCC3)C2)nnc1C(C)(C)C ZINC001360092836 1064963849 /nfs/dbraw/zinc/96/38/49/1064963849.db2.gz UTYDMWQYYPTXEI-XMMPIXPASA-N 2 0 452.691 4.529 20 0 JJADRP CC(C)[N@H+](C)Cc1ccccc1Cn1c(N2CC[C@H]([NH+]3CCCCC3)C2)nnc1C(C)(C)C ZINC001360092835 1064964027 /nfs/dbraw/zinc/96/40/27/1064964027.db2.gz UTYDMWQYYPTXEI-DEOSSOPVSA-N 2 0 452.691 4.529 20 0 JJADRP CC(C)[N@H+](C)CCCn1c([C@@H]2CCCCO2)nnc1N1CCC(CC[NH+]2CCCC[C@H]2C)CC1 ZINC001360100079 1064979460 /nfs/dbraw/zinc/97/94/60/1064979460.db2.gz GOZSSVNDDBBZCO-NOZRDPDXSA-N 2 0 474.738 4.731 20 0 JJADRP CC(C)[N@H+](C)CCCn1c(Cc2ccsc2)nnc1N1CC[C@H](C)[NH+](Cc2ccccc2)CC1 ZINC001360101494 1064981456 /nfs/dbraw/zinc/98/14/56/1064981456.db2.gz QQKZGXGZBNFFMQ-QHCPKHFHSA-N 2 0 480.726 4.762 20 0 JJADRP CC(C)[NH+](CCn1c(-c2ccccc2F)nnc1N1CC[NH+](C2CCCCC2)CC1)C(C)C ZINC001360128810 1065023794 /nfs/dbraw/zinc/02/37/94/1065023794.db2.gz JLQWCTOYHDUECD-UHFFFAOYSA-N 2 0 456.654 4.658 20 0 JJADRP CC(C)[NH+](CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[NH+](C(C)(C)C)CC1)C(C)C ZINC001360128966 1065024163 /nfs/dbraw/zinc/02/41/63/1065024163.db2.gz QGDBBNPWEOIJBB-UHFFFAOYSA-N 2 0 463.674 4.533 20 0 JJADRP CC(C)[N@@H+]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001360143505 1065044062 /nfs/dbraw/zinc/04/40/62/1065044062.db2.gz HXHGKIOQVMREOM-UHFFFAOYSA-N 2 0 459.082 4.784 20 0 JJADRP CC(C)[N@@H+]1CCCN(c2nnc(-c3ccccc3Cl)n2CCCCC[NH+]2CCCC2)CC1 ZINC001360144488 1065046252 /nfs/dbraw/zinc/04/62/52/1065046252.db2.gz KKOVONUNQHEVNI-UHFFFAOYSA-N 2 0 459.082 4.785 20 0 JJADRP CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001360305661 1065141207 /nfs/dbraw/zinc/14/12/07/1065141207.db2.gz ZDOOQGFPKQBGIG-UHFFFAOYSA-N 2 0 463.045 4.579 20 0 JJADRP CC(C)[NH2+]C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001360306502 1065142059 /nfs/dbraw/zinc/14/20/59/1065142059.db2.gz FIKXAJCPISLZMN-QFIPXVFZSA-N 2 0 459.082 4.686 20 0 JJADRP CC(C)[NH2+]C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001360308958 1065144594 /nfs/dbraw/zinc/14/45/94/1065144594.db2.gz PINGZDHPZGXHCG-OAQYLSRUSA-N 2 0 488.671 4.769 20 0 JJADRP CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001360309831 1065146018 /nfs/dbraw/zinc/14/60/18/1065146018.db2.gz OIMGGRGBKYJCIW-UHFFFAOYSA-N 2 0 496.744 4.996 20 0 JJADRP CC(C)[NH2+]C1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001360309760 1065146039 /nfs/dbraw/zinc/14/60/39/1065146039.db2.gz LZMWOCHWVAAOJW-SANMLTNESA-N 2 0 466.718 4.541 20 0 JJADRP C[C@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001360514456 1065466834 /nfs/dbraw/zinc/46/68/34/1065466834.db2.gz UJQAHSNBHVRJJJ-WXFUMESZSA-N 2 0 488.765 4.772 20 0 JJADRP C[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001360583909 1065582992 /nfs/dbraw/zinc/58/29/92/1065582992.db2.gz NCLPPEQVBDRGJT-NRFANRHFSA-N 2 0 482.717 4.558 20 0 JJADRP C[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)C[NH+]1CCCC1 ZINC001360592598 1065601623 /nfs/dbraw/zinc/60/16/23/1065601623.db2.gz YORYFIGTYJSXDU-VXKWHMMOSA-N 2 0 486.680 4.600 20 0 JJADRP C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)C[NH+]1CCCC1 ZINC001360592830 1065601827 /nfs/dbraw/zinc/60/18/27/1065601827.db2.gz ACUFVVURBNYWHL-SMIHKQSGSA-N 2 0 458.739 4.689 20 0 JJADRP C[C@H](Cn1c(CC(C)(C)C)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC001360598627 1065619022 /nfs/dbraw/zinc/61/90/22/1065619022.db2.gz CHMKUHJGFHMKNO-AHWVRZQESA-N 2 0 480.745 4.947 20 0 JJADRP C[C@@H](Cn1c(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)nnc1C(C)(C)C)C[NH+]1CCCCC1 ZINC001360603648 1065628744 /nfs/dbraw/zinc/62/87/44/1065628744.db2.gz WHUKVTUOWWTLFG-DNQXCXABSA-N 2 0 466.718 4.798 20 0 JJADRP C[C@@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1)[NH+](C)C ZINC001360745704 1065785802 /nfs/dbraw/zinc/78/58/02/1065785802.db2.gz OTPYLWPGIIEVAI-RJGXRXQPSA-N 2 0 486.680 4.600 20 0 JJADRP CC(C)[NH+](CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](C(C)C)CC1)C(C)C ZINC001360760583 1065832618 /nfs/dbraw/zinc/83/26/18/1065832618.db2.gz PDQORXOLRIFRIK-OAQYLSRUSA-N 2 0 477.097 4.721 20 0 JJADRP CC(C)[N@H+](C)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001360761103 1065836278 /nfs/dbraw/zinc/83/62/78/1065836278.db2.gz YXKSLEUZDAKKMY-OAQYLSRUSA-N 2 0 489.108 4.866 20 0 JJADRP CC(C)[NH+](CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)C(C)C ZINC001360773211 1065870837 /nfs/dbraw/zinc/87/08/37/1065870837.db2.gz HUYQPFISZDCDIB-QFIPXVFZSA-N 2 0 488.696 4.987 20 0 JJADRP CC(C)[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](C(C)(C)C)CC1)[NH+]1CCCC1 ZINC001360774848 1065875406 /nfs/dbraw/zinc/87/54/06/1065875406.db2.gz URTCSFFGFWMPMA-GGAORHGYSA-N 2 0 486.680 4.598 20 0 JJADRP COc1cccc([C@@H](CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)[NH+](C)C)c1 ZINC001440680871 1065965018 /nfs/dbraw/zinc/96/50/18/1065965018.db2.gz YMVAGOHFDLQQAO-MUPNOLHXSA-N 2 0 471.645 4.504 20 0 JJADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@]2(C)c2ccccc2)C1 ZINC001442262597 1066109560 /nfs/dbraw/zinc/10/95/60/1066109560.db2.gz XCESGAXZLOQMJR-QIMYFBEYSA-N 2 0 461.694 4.949 20 0 JJADRP CC[C@@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)[NH+]1CCCC1 ZINC001545951709 1066157836 /nfs/dbraw/zinc/15/78/36/1066157836.db2.gz BJSNNHBFULYKAB-GMAHTHKFSA-N 2 0 486.680 4.742 20 0 JJADRP Cc1cc(C)cc(OCc2nnc(N3CC[NH+](C4CCC(C)CC4)CC3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001361036119 1066255071 /nfs/dbraw/zinc/25/50/71/1066255071.db2.gz ZJTVWIYHKPVSMF-UHFFFAOYSA-N 2 0 496.744 4.905 20 0 JJADRP Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H]([NH+]4CCCCC4)C3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001361128472 1066392245 /nfs/dbraw/zinc/39/22/45/1066392245.db2.gz XDBBYAYCXQQYFT-XMMPIXPASA-N 2 0 496.744 4.941 20 0 JJADRP Cc1ccc([C@@H](Cn2c(N3CCC[N@@H+](C(C)C)CC3)nnc2C(C)(C)C)[NH+]2CCCC2)cc1 ZINC001361142034 1066422599 /nfs/dbraw/zinc/42/25/99/1066422599.db2.gz TXKYFUBVFKJWGI-XMMPIXPASA-N 2 0 452.691 4.642 20 0 JJADRP Cc1ccc(C)c(OCc2nnc(N3CC[NH+](C4CCC(C)CC4)CC3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001361159685 1066464499 /nfs/dbraw/zinc/46/44/99/1066464499.db2.gz HHDYYIQNBGCBOF-UHFFFAOYSA-N 2 0 496.744 4.762 20 0 JJADRP Cc1ccc(C)c(OCc2nnc(N3CC[NH+](CC4CCCCC4)CC3)n2CC[N@@H+](C)C(C)C)c1 ZINC001361160041 1066466464 /nfs/dbraw/zinc/46/64/64/1066466464.db2.gz SDEPPIJBVYIYGO-UHFFFAOYSA-N 2 0 482.717 4.516 20 0 JJADRP Cc1ccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CC[NH+]2CCCC(C)(C)C2)o1 ZINC001361205886 1066537946 /nfs/dbraw/zinc/53/79/46/1066537946.db2.gz WOYQATXOOAVWDU-UHFFFAOYSA-N 2 0 456.679 4.525 20 0 JJADRP Cc1ccc(-c2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CCCC[N@H+]2CCCC[C@H]2C)o1 ZINC001361218505 1066555078 /nfs/dbraw/zinc/55/50/78/1066555078.db2.gz SNDIBMPAZLYAKB-OAQYLSRUSA-N 2 0 456.679 4.812 20 0 JJADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CC(C)C ZINC001361253366 1066601011 /nfs/dbraw/zinc/60/10/11/1066601011.db2.gz SMSGWXTUKUASDC-AOYPEHQESA-N 2 0 478.681 4.570 20 0 JJADRP CC[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)[NH+]1CCCC1 ZINC001545997130 1066819640 /nfs/dbraw/zinc/81/96/40/1066819640.db2.gz KDFRDPDZPFOCEY-QHCPKHFHSA-N 2 0 473.109 4.707 20 0 JJADRP CC[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)[NH+]1CCCC1 ZINC001545997129 1066819653 /nfs/dbraw/zinc/81/96/53/1066819653.db2.gz KDFRDPDZPFOCEY-HSZRJFAPSA-N 2 0 473.109 4.707 20 0 JJADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1cccc(C(F)(F)F)c1 ZINC001448059205 1066894692 /nfs/dbraw/zinc/89/46/92/1066894692.db2.gz BZFZQDAEIYVSHB-XZOQPEGZSA-N 2 0 459.556 4.727 20 0 JJADRP Cc1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001492805130 1066954405 /nfs/dbraw/zinc/95/44/05/1066954405.db2.gz ZVQHAHANNDWRAU-NBGIEHNGSA-N 2 0 456.654 4.509 20 0 JJADRP CC[C@@H](c1nnc(N2C[C@@H](C)[N@H+](CC)C[C@H]2C)n1CC(C)(C)[NH+]1CCC(OC)CC1)c1ccccc1 ZINC001545730632 1066988497 /nfs/dbraw/zinc/98/84/97/1066988497.db2.gz CUTATAQXPVNIKJ-JQYIIUTOSA-N 2 0 496.744 4.628 20 0 JJADRP CC[C@@H](c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1C[C@@H](CC(C)C)[NH+](C)C)c1ccccc1 ZINC001545732249 1066993520 /nfs/dbraw/zinc/99/35/20/1066993520.db2.gz ZMMNUMNKHMKQMW-ZCAIMPEWSA-N 2 0 454.707 4.715 20 0 JJADRP CC[C@@H](c1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C)c1ccccc1 ZINC001545751278 1067022984 /nfs/dbraw/zinc/02/29/84/1067022984.db2.gz BQZJPHWZGWMFFF-RPBOFIJWSA-N 2 0 466.718 4.861 20 0 JJADRP CC[C@@H](c1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC001545752368 1067027568 /nfs/dbraw/zinc/02/75/68/1067027568.db2.gz WCFIZMYLNGRKLD-RMTZWNOUSA-N 2 0 466.718 4.861 20 0 JJADRP CC[C@H](c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC1(SC)CC[NH+](C)CC1)c1ccccc1 ZINC001545756396 1067033548 /nfs/dbraw/zinc/03/35/48/1067033548.db2.gz HCWCNGVMYZRBSN-QHCPKHFHSA-N 2 0 484.758 4.568 20 0 JJADRP CC[C@@H](c1nnc(N2CC[NH+](C(C)C)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccc1 ZINC001545756597 1067033729 /nfs/dbraw/zinc/03/37/29/1067033729.db2.gz KQWPZBJDUNRHMS-DGWZTRNLSA-N 2 0 466.718 4.718 20 0 JJADRP CC[C@H](c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1CCCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC001545758291 1067036783 /nfs/dbraw/zinc/03/67/83/1067036783.db2.gz DMCONNLBRXEONK-RSXGOPAZSA-N 2 0 466.718 4.863 20 0 JJADRP C[N@@H+]1CC[C@@H](CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458448344 1067063966 /nfs/dbraw/zinc/06/39/66/1067063966.db2.gz ODMMGAXLFGRGBB-XUZZJYLKSA-N 2 0 458.021 4.890 20 0 JJADRP CCC(CC)[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CC[N@H+](CC)[C@H](C)C1)[NH+](C)C ZINC001545805016 1067118340 /nfs/dbraw/zinc/11/83/40/1067118340.db2.gz GKVOLMLBPARXRG-XMSQKQJNSA-N 2 0 491.522 4.604 20 0 JJADRP CCC(CC)[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](C(C)C)CC1)[NH+](C)C ZINC001545807268 1067125125 /nfs/dbraw/zinc/12/51/25/1067125125.db2.gz FJIKCGUKHVRRAH-SFHVURJKSA-N 2 0 497.551 4.666 20 0 JJADRP CCC(CC)[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+](C)C ZINC001545819681 1067155366 /nfs/dbraw/zinc/15/53/66/1067155366.db2.gz KJNYRRMMZYWDGK-ISKFKSNPSA-N 2 0 489.108 4.551 20 0 JJADRP CCC(CC)[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)[NH+](C)C ZINC001545819683 1067155589 /nfs/dbraw/zinc/15/55/89/1067155589.db2.gz KJNYRRMMZYWDGK-UPVQGACJSA-N 2 0 489.108 4.551 20 0 JJADRP CCC(CC)[C@H](Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)[NH+](C)C ZINC001545820293 1067158515 /nfs/dbraw/zinc/15/85/15/1067158515.db2.gz VGKHSBYQUVRKLV-HVCNVCAESA-N 2 0 482.717 4.513 20 0 JJADRP CCC(CC)[C@H](Cn1c(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nnc1C(C)(C)C)[NH+](C)C ZINC001545820524 1067159741 /nfs/dbraw/zinc/15/97/41/1067159741.db2.gz YXJHXMGQTVLGOA-ZEQRLZLVSA-N 2 0 454.707 4.653 20 0 JJADRP CC(C)([C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC001458835094 1067163646 /nfs/dbraw/zinc/16/36/46/1067163646.db2.gz JCFPBMIHUMAPQJ-WIOPSUGQSA-N 2 0 455.593 4.909 20 0 JJADRP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H]1C[NH+](Cc2ccccc2)CCC1(F)F ZINC001452769574 1067250736 /nfs/dbraw/zinc/25/07/36/1067250736.db2.gz JFGSUEPBQZHDDA-VRIJDZSUSA-N 2 0 455.593 4.654 20 0 JJADRP CCN1CCC([NH+]2CCC(C(=O)Nc3ccc(Nc4cccc(SC)c4)cn3)CC2)CC1 ZINC001452985164 1067270608 /nfs/dbraw/zinc/27/06/08/1067270608.db2.gz CJPLVKYTYRYEEK-UHFFFAOYSA-N 2 0 453.656 4.682 20 0 JJADRP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001459668520 1067377552 /nfs/dbraw/zinc/37/75/52/1067377552.db2.gz HMSZZOBXECLLPW-NRFANRHFSA-N 2 0 451.659 4.794 20 0 JJADRP O=C(C[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001459990056 1067517230 /nfs/dbraw/zinc/51/72/30/1067517230.db2.gz XISYLBFYHOBTCK-RCXJIHSJSA-N 2 0 454.058 4.984 20 0 JJADRP C[C@@]1(Cc2ccccc2Cl)CCC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001460403373 1067627237 /nfs/dbraw/zinc/62/72/37/1067627237.db2.gz DJBVGVXPVUHRJM-VWLOTQADSA-N 2 0 458.071 4.925 20 0 JJADRP FC(F)(F)c1cccc(N2CC[NH+](CCCC[NH2+]Cc3ccn(-c4ccccc4)n3)CC2)c1 ZINC001461036057 1067766643 /nfs/dbraw/zinc/76/66/43/1067766643.db2.gz RZWIIIFGIDIIFR-UHFFFAOYSA-N 2 0 457.544 4.583 20 0 JJADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNCc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)C1 ZINC001461048526 1067769261 /nfs/dbraw/zinc/76/92/61/1067769261.db2.gz KTFNTCXKKBAXAK-KDURUIRLSA-N 2 0 459.581 4.837 20 0 JJADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001461051649 1067769943 /nfs/dbraw/zinc/76/99/43/1067769943.db2.gz YWYGGFYSEABCIF-RTBURBONSA-N 2 0 450.579 4.996 20 0 JJADRP COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001462256251 1068038873 /nfs/dbraw/zinc/03/88/73/1068038873.db2.gz AWICBAQRIAXOPJ-HFZDXXHNSA-N 2 0 450.623 4.750 20 0 JJADRP Cc1ccc(Oc2cc(Br)ccc2CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC001462501123 1068086679 /nfs/dbraw/zinc/08/66/79/1068086679.db2.gz AINZZYUKEIRPKG-NHCUHLMSSA-N 2 0 460.460 4.721 20 0 JJADRP C[C@@H](CCc1cncc2ccccc21)[NH2+]CCCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001462562584 1068098379 /nfs/dbraw/zinc/09/83/79/1068098379.db2.gz GXABDIDUCGNVHE-QFIPXVFZSA-N 2 0 454.659 4.869 20 0 JJADRP Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)c4ccc(CC[NH+](C)C)cc4)cc3)CC2)c1 ZINC001464132520 1068628451 /nfs/dbraw/zinc/62/84/51/1068628451.db2.gz KFSVQJLNDJCSRL-UHFFFAOYSA-N 2 0 456.634 4.674 20 0 JJADRP C[C@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC001464359591 1068718956 /nfs/dbraw/zinc/71/89/56/1068718956.db2.gz WQRZORFFMRZGMG-QGUKFAFCSA-N 2 0 454.058 4.794 20 0 JJADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C[NH+](Cc2cccs2)CCO3)nc1 ZINC001164706952 719902951 /nfs/dbraw/zinc/90/29/51/719902951.db2.gz MCXQEYICEADRNL-DEOSSOPVSA-N 2 0 454.684 4.952 20 0 JJADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H](COC)[NH+](Cc4ccccn4)C3)CC2)nc1 ZINC001164712223 720153822 /nfs/dbraw/zinc/15/38/22/720153822.db2.gz LCEVUNPYCDSBPC-SXOMAYOGSA-N 2 0 477.697 4.921 20 0 JJADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)C[NH+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164747917 720933035 /nfs/dbraw/zinc/93/30/35/720933035.db2.gz DQNSWQPSAQYXNJ-QVKOCQLISA-N 2 0 489.708 4.779 20 0 JJADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC[C@]3(C2)COCC[NH+](Cc2c(C)noc2C)C3)nc1 ZINC001164785323 721373936 /nfs/dbraw/zinc/37/39/36/721373936.db2.gz RBZKOJGFYSIZKZ-XCZPVHLTSA-N 2 0 481.685 4.742 20 0 JJADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)nc1 ZINC001164913805 721734063 /nfs/dbraw/zinc/73/40/63/721734063.db2.gz XYJGWNNNEDCRHG-ILBGXUMGSA-N 2 0 455.597 4.761 20 0 JJADRP