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)nnc1N1CCN(C2CCCC2)CC1)[NH+](C)C ZINC001359765072 1064385934 /nfs/dbraw/zinc/38/59/34/1064385934.db2.gz PHTNNNFPUZAMPQ-GGAORHGYSA-N 1 3 486.680 4.598 20 0 JJADHO CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001360017170 1064816953 /nfs/dbraw/zinc/81/69/53/1064816953.db2.gz AXZXRTVDBVSRLM-NRFANRHFSA-N 1 3 491.099 4.884 20 0 JJADHO CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001360017170 1064816970 /nfs/dbraw/zinc/81/69/70/1064816970.db2.gz AXZXRTVDBVSRLM-NRFANRHFSA-N 1 3 491.099 4.884 20 0 JJADHO CC(C)CN1CCN(c2nnc(-c3cc4ccccc4o3)n2CCC[NH+](C(C)C)C(C)C)CC1 ZINC001360018761 1064821266 /nfs/dbraw/zinc/82/12/66/1064821266.db2.gz UHGAGPVHYXXHFS-UHFFFAOYSA-N 1 3 466.674 4.978 20 0 JJADHO CC(C)CN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001360033805 1064837006 /nfs/dbraw/zinc/83/70/06/1064837006.db2.gz LEHSCIIMCDVXQU-JWQCQUIFSA-N 1 3 488.765 4.629 20 0 JJADHO CC(C)CN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@@H+](C)C2CCCCC2)CC1 ZINC001360033805 1064837020 /nfs/dbraw/zinc/83/70/20/1064837020.db2.gz LEHSCIIMCDVXQU-JWQCQUIFSA-N 1 3 488.765 4.629 20 0 JJADHO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3ccccc3Cl)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001360140215 1065037073 /nfs/dbraw/zinc/03/70/73/1065037073.db2.gz ZKJOAMCIKGFAKP-HXUWFJFHSA-N 1 3 459.082 4.639 20 0 JJADHO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3ccccc3Cl)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001360140215 1065037084 /nfs/dbraw/zinc/03/70/84/1065037084.db2.gz ZKJOAMCIKGFAKP-HXUWFJFHSA-N 1 3 459.082 4.639 20 0 JJADHO C[C@@H](CCn1c([C@H]2CCCO2)nnc1N1CCN(CCC(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC001360514160 1065465105 /nfs/dbraw/zinc/46/51/05/1065465105.db2.gz OMWJQXPQENCNKB-UKILVPOCSA-N 1 3 482.717 4.598 20 0 JJADHO C[C@@H](CCn1c([C@H]2CCCO2)nnc1N1CCN(CCC(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC001360514160 1065465113 /nfs/dbraw/zinc/46/51/13/1065465113.db2.gz OMWJQXPQENCNKB-UKILVPOCSA-N 1 3 482.717 4.598 20 0 JJADHO C[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001360583910 1065583123 /nfs/dbraw/zinc/58/31/23/1065583123.db2.gz NCLPPEQVBDRGJT-OAQYLSRUSA-N 1 3 482.717 4.558 20 0 JJADHO C[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001360583910 1065583133 /nfs/dbraw/zinc/58/31/33/1065583133.db2.gz NCLPPEQVBDRGJT-OAQYLSRUSA-N 1 3 482.717 4.558 20 0 JJADHO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@H](C)[NH+](C)C ZINC001360760686 1065833801 /nfs/dbraw/zinc/83/38/01/1065833801.db2.gz RESLHHJMCRDZBT-VQTJNVASSA-N 1 3 477.097 4.580 20 0 JJADHO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(C(C)(C)C)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001360761117 1065836146 /nfs/dbraw/zinc/83/61/46/1065836146.db2.gz ZCHUBMWMABIISL-HXUWFJFHSA-N 1 3 489.108 4.866 20 0 JJADHO CCCN(C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001442865214 1066233678 /nfs/dbraw/zinc/23/36/78/1066233678.db2.gz BNVQRQFTIXBAJR-XNMGPUDCSA-N 1 3 451.630 4.941 20 0 JJADHO CCCN(C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001442865214 1066233701 /nfs/dbraw/zinc/23/37/01/1066233701.db2.gz BNVQRQFTIXBAJR-XNMGPUDCSA-N 1 3 451.630 4.941 20 0 JJADHO Cc1ccc([C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C(C)(C)C)CC2)[NH+]2CCCC2)cc1 ZINC001361139915 1066416536 /nfs/dbraw/zinc/41/65/36/1066416536.db2.gz RLVXBEQZDBIAAR-XMMPIXPASA-N 1 3 466.718 4.933 20 0 JJADHO Cc1ccc([C@@H](Cn2c(CC(C)C)nnc2N2CCN(C(C)(C)C)CC2)[NH+]2CCCC2)cc1 ZINC001361140477 1066418052 /nfs/dbraw/zinc/41/80/52/1066418052.db2.gz BURRZUWNMKYWDC-XMMPIXPASA-N 1 3 452.691 4.543 20 0 JJADHO CC[C@H](c1nnc(N2CCN(CC(C)C)CC2)n1CCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC001545758653 1067038754 /nfs/dbraw/zinc/03/87/54/1067038754.db2.gz KTLSSVVVLGSHHV-RSXGOPAZSA-N 1 3 466.718 4.863 20 0 JJADHO CC[C@H](c1nnc(N2CCN(CC(C)C)CC2)n1CCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC001545758653 1067038771 /nfs/dbraw/zinc/03/87/71/1067038771.db2.gz KTLSSVVVLGSHHV-RSXGOPAZSA-N 1 3 466.718 4.863 20 0 JJADHO CC[N@H+](CCC1CCN([C@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@H]2O)CC1)CC(C)C ZINC001459813984 1067434949 /nfs/dbraw/zinc/43/49/49/1067434949.db2.gz RGGJRXLCEXNUGO-LOSJGSFVSA-N 1 3 459.675 4.924 20 0 JJADHO CC[N@@H+](CCC1CCN([C@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@H]2O)CC1)CC(C)C ZINC001459813984 1067434953 /nfs/dbraw/zinc/43/49/53/1067434953.db2.gz RGGJRXLCEXNUGO-LOSJGSFVSA-N 1 3 459.675 4.924 20 0 JJADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@H](C)C(c3ccccc3)c3ccccc3)cc2)CC1 ZINC001459923111 1067493379 /nfs/dbraw/zinc/49/33/79/1067493379.db2.gz GZWYHGMDTKYIJC-HSZRJFAPSA-N 1 3 456.634 4.577 20 0 JJADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2sc(Nc3ccccc3)nc2s1 ZINC001464697640 1068828784 /nfs/dbraw/zinc/82/87/84/1068828784.db2.gz TUVQKIVDBWNYIX-GOSISDBHSA-N 1 3 457.669 4.590 20 0 JJADHO CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H]3CN(Cc4ccccc4)CCC3(F)F)c2)CC1 ZINC001464706250 1068831998 /nfs/dbraw/zinc/83/19/98/1068831998.db2.gz UHGCPWUYQIKXIM-VWLOTQADSA-N 1 3 455.593 4.692 20 0 JJADHO CC[N@@H+]1CCCC[C@@H]1c1ccc(N(Cc2nn(C(C)C)c3c2CCNC3)c2nccs2)nc1 ZINC001164709665 720091888 /nfs/dbraw/zinc/09/18/88/720091888.db2.gz CBGPQIARRWTCKX-JOCHJYFZSA-N 1 3 465.671 4.846 20 0 JJADHO CC[N@H+]1CCCC[C@@H]1c1ccc(N(Cc2nn(C(C)C)c3c2CCNC3)c2nccs2)nc1 ZINC001164709665 720091894 /nfs/dbraw/zinc/09/18/94/720091894.db2.gz CBGPQIARRWTCKX-JOCHJYFZSA-N 1 3 465.671 4.846 20 0 JJADHO CC(C)C[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC2CC2)CC1)[NH+](C)C ZINC001359766877 1064395133 /nfs/dbraw/zinc/39/51/33/1064395133.db2.gz WOUMIWAVRJMZLQ-RUZDIDTESA-N 1 3 466.718 4.751 20 0 JJADHO CC(C)CN1CCN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001360021238 1064824362 /nfs/dbraw/zinc/82/43/62/1064824362.db2.gz BOIMGIZZBAYZJR-NRFANRHFSA-N 1 3 473.109 4.887 20 0 JJADHO CC(C)CN1CCN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001360021238 1064824377 /nfs/dbraw/zinc/82/43/77/1064824377.db2.gz BOIMGIZZBAYZJR-NRFANRHFSA-N 1 3 473.109 4.887 20 0 JJADHO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3ccc(Cl)cc3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001360138817 1065035092 /nfs/dbraw/zinc/03/50/92/1065035092.db2.gz KFCSOBSYZWQAAR-HXUWFJFHSA-N 1 3 459.082 4.639 20 0 JJADHO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3ccc(Cl)cc3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001360138817 1065035106 /nfs/dbraw/zinc/03/51/06/1065035106.db2.gz KFCSOBSYZWQAAR-HXUWFJFHSA-N 1 3 459.082 4.639 20 0 JJADHO CC(C)[NH2+]C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001360308751 1065144498 /nfs/dbraw/zinc/14/44/98/1065144498.db2.gz LXACUQYBXKRFDB-JOCHJYFZSA-N 1 3 487.117 4.854 20 0 JJADHO C[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(CCC(C)(C)C)CC1)[NH+](C)C ZINC001360760685 1065833820 /nfs/dbraw/zinc/83/38/20/1065833820.db2.gz RESLHHJMCRDZBT-UXHICEINSA-N 1 3 477.097 4.580 20 0 JJADHO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(C(C)(C)C)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001360761116 1065836261 /nfs/dbraw/zinc/83/62/61/1065836261.db2.gz ZCHUBMWMABIISL-FQEVSTJZSA-N 1 3 489.108 4.866 20 0 JJADHO CC(C)[N@H+](C)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C2CCCCC2)CC1 ZINC001360761102 1065836380 /nfs/dbraw/zinc/83/63/80/1065836380.db2.gz YXKSLEUZDAKKMY-NRFANRHFSA-N 1 3 489.108 4.866 20 0 JJADHO CC(C)[N@@H+](C)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C2CCCCC2)CC1 ZINC001360761102 1065836386 /nfs/dbraw/zinc/83/63/86/1065836386.db2.gz YXKSLEUZDAKKMY-NRFANRHFSA-N 1 3 489.108 4.866 20 0 JJADHO CC(C)[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(C)(C)C)CC1)[NH+]1CCCC1 ZINC001360774849 1065875262 /nfs/dbraw/zinc/87/52/62/1065875262.db2.gz URTCSFFGFWMPMA-GMAHTHKFSA-N 1 3 486.680 4.598 20 0 JJADHO CC(C)[C@@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(C)(C)C)CC1)[NH+]1CCCC1 ZINC001360774850 1065875553 /nfs/dbraw/zinc/87/55/53/1065875553.db2.gz URTCSFFGFWMPMA-JTHBVZDNSA-N 1 3 486.680 4.598 20 0 JJADHO Cc1cccc(O[C@@H](C)c2nnc(N3CCN(CC(C)C)CC3)n2CC[N@@H+]2CCCC(C)(C)C2)c1C ZINC001360878658 1066026377 /nfs/dbraw/zinc/02/63/77/1066026377.db2.gz XPXCOASRQNDHFS-VWLOTQADSA-N 1 3 496.744 4.935 20 0 JJADHO Cc1cccc(O[C@@H](C)c2nnc(N3CCN(CC(C)C)CC3)n2CC[N@H+]2CCCC(C)(C)C2)c1C ZINC001360878658 1066026387 /nfs/dbraw/zinc/02/63/87/1066026387.db2.gz XPXCOASRQNDHFS-VWLOTQADSA-N 1 3 496.744 4.935 20 0 JJADHO C[C@@H]1C[C@@H](NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001457241314 1066797248 /nfs/dbraw/zinc/79/72/48/1066797248.db2.gz UQSKOFDCIZPBIX-JHMXWDHMSA-N 1 3 459.556 4.610 20 0 JJADHO C[C@@H]1C[C@@H](NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001457241314 1066797253 /nfs/dbraw/zinc/79/72/53/1066797253.db2.gz UQSKOFDCIZPBIX-JHMXWDHMSA-N 1 3 459.556 4.610 20 0 JJADHO Cc1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001492805129 1066954490 /nfs/dbraw/zinc/95/44/90/1066954490.db2.gz ZVQHAHANNDWRAU-CPJSRVTESA-N 1 3 456.654 4.509 20 0 JJADHO Cc1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001492805129 1066954495 /nfs/dbraw/zinc/95/44/95/1066954495.db2.gz ZVQHAHANNDWRAU-CPJSRVTESA-N 1 3 456.654 4.509 20 0 JJADHO CC[C@@H](Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CCC(C)(C)C)CC1)[NH+]1CCCC1 ZINC001546010050 1066964794 /nfs/dbraw/zinc/96/47/94/1066964794.db2.gz DQADFLDJYWOKJO-VWLOTQADSA-N 1 3 496.744 4.907 20 0 JJADHO CC[C@@H](c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1CC(C)(C)[NH+]1CCC(OC)CC1)c1ccccc1 ZINC001545730631 1066988223 /nfs/dbraw/zinc/98/82/23/1066988223.db2.gz CUTATAQXPVNIKJ-JCYRPKCISA-N 1 3 496.744 4.628 20 0 JJADHO CC[C@@H](c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1C[C@@H](CC(C)C)[NH+](C)C)c1ccccc1 ZINC001545732248 1066993585 /nfs/dbraw/zinc/99/35/85/1066993585.db2.gz ZMMNUMNKHMKQMW-WREZULKGSA-N 1 3 454.707 4.715 20 0 JJADHO CC[C@@H](c1nnc(N2CCN(C(C)(C)C)CC2)n1CC1(SC)CC[NH+](C)CC1)c1ccccc1 ZINC001545756395 1067033286 /nfs/dbraw/zinc/03/32/86/1067033286.db2.gz HCWCNGVMYZRBSN-HSZRJFAPSA-N 1 3 484.758 4.568 20 0 JJADHO CCC(CC)[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(C)(C)C)CC1)[NH+](C)C ZINC001545817117 1067146498 /nfs/dbraw/zinc/14/64/98/1067146498.db2.gz FBZWBRATYCTIDJ-HSZRJFAPSA-N 1 3 475.125 4.809 20 0 JJADHO COc1ccc(NC(=O)C2(NCc3ccc(C[NH+]4CCCCC4)cc3)CCCC2)cc1OC ZINC001459709717 1067390732 /nfs/dbraw/zinc/39/07/32/1067390732.db2.gz ZHHRNTLSRDKKPX-UHFFFAOYSA-N 1 3 451.611 4.731 20 0 JJADHO CN(C)[C@@H](CNC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCCCC1)c1ccccc1 ZINC001460409845 1067629718 /nfs/dbraw/zinc/62/97/18/1067629718.db2.gz MQCCFWNQMMTBJY-QFIPXVFZSA-N 1 3 458.444 4.617 20 0 JJADHO Clc1cc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)ccc1Br ZINC001461065958 1067774753 /nfs/dbraw/zinc/77/47/53/1067774753.db2.gz XDPAKBBCFKFVMP-UHFFFAOYSA-N 1 3 450.852 4.790 20 0 JJADHO CC1CC[NH+](Cc2cccc(CNC(=O)[C@H]3CN(Cc4ccccc4)CCC3(F)F)c2)CC1 ZINC001464706246 1068831926 /nfs/dbraw/zinc/83/19/26/1068831926.db2.gz UHGCPWUYQIKXIM-RUZDIDTESA-N 1 3 455.593 4.692 20 0 JJADHO CC[N@@H+]1CCCC[C@H]1c1ccc(N(Cc2nn(C(C)C)c3c2CCNC3)c2nccs2)nc1 ZINC001164709666 720091652 /nfs/dbraw/zinc/09/16/52/720091652.db2.gz CBGPQIARRWTCKX-QFIPXVFZSA-N 1 3 465.671 4.846 20 0 JJADHO CC[N@H+]1CCCC[C@H]1c1ccc(N(Cc2nn(C(C)C)c3c2CCNC3)c2nccs2)nc1 ZINC001164709666 720091662 /nfs/dbraw/zinc/09/16/62/720091662.db2.gz CBGPQIARRWTCKX-QFIPXVFZSA-N 1 3 465.671 4.846 20 0 JJADHO CC(C)[N@@H+]1CCC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001360141614 1065040937 /nfs/dbraw/zinc/04/09/37/1065040937.db2.gz QRSWRVRAFDYMAQ-QFIPXVFZSA-N 1 3 473.109 4.563 20 0 JJADHO CC(C)[N@H+]1CCC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001360141614 1065040957 /nfs/dbraw/zinc/04/09/57/1065040957.db2.gz QRSWRVRAFDYMAQ-QFIPXVFZSA-N 1 3 473.109 4.563 20 0 JJADHO C[C@@H](CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001360511164 1065455608 /nfs/dbraw/zinc/45/56/08/1065455608.db2.gz ULWWPEFHZURBHQ-NRFANRHFSA-N 1 3 489.108 4.696 20 0 JJADHO C[C@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(CCC(C)(C)C)CC1)[NH+](C)C ZINC001360760687 1065833981 /nfs/dbraw/zinc/83/39/81/1065833981.db2.gz RESLHHJMCRDZBT-WOJBJXKFSA-N 1 3 477.097 4.580 20 0 JJADHO CC(C)[N@H+](C)CCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001360760848 1065834908 /nfs/dbraw/zinc/83/49/08/1065834908.db2.gz UHVBPXIFKHTOOY-FQEVSTJZSA-N 1 3 477.097 4.722 20 0 JJADHO CC(C)[N@@H+](C)CCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001360760848 1065834915 /nfs/dbraw/zinc/83/49/15/1065834915.db2.gz UHVBPXIFKHTOOY-FQEVSTJZSA-N 1 3 477.097 4.722 20 0 JJADHO Cc1cccc(O[C@H](C)c2nnc(N3CCN(C(C)(C)C)CC3)n2CCC[NH+]2CCCCC2)c1C ZINC001360877456 1066023593 /nfs/dbraw/zinc/02/35/93/1066023593.db2.gz LPWRMDXRMYPCCI-XMMPIXPASA-N 1 3 482.717 4.831 20 0 JJADHO Cc1ccc(C)c(OCc2nnc(N3CCN(CCC(C)(C)C)CC3)n2C[C@@H](C)C[NH+]2CCCC2)c1 ZINC001361162240 1066469481 /nfs/dbraw/zinc/46/94/81/1066469481.db2.gz LIRYLQNJUFIKAX-DEOSSOPVSA-N 1 3 496.744 4.764 20 0 JJADHO Cc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)o1 ZINC001361220699 1066558053 /nfs/dbraw/zinc/55/80/53/1066558053.db2.gz AEWVUDSPLZZJRZ-OAQYLSRUSA-N 1 3 464.658 4.896 20 0 JJADHO C[C@@H]1C[C@H](NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001457241317 1066797192 /nfs/dbraw/zinc/79/71/92/1066797192.db2.gz UQSKOFDCIZPBIX-XRODADMRSA-N 1 3 459.556 4.610 20 0 JJADHO C[C@@H]1C[C@H](NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001457241317 1066797203 /nfs/dbraw/zinc/79/72/03/1066797203.db2.gz UQSKOFDCIZPBIX-XRODADMRSA-N 1 3 459.556 4.610 20 0 JJADHO CC(C)([C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1)N1CCCC1 ZINC001458835087 1067163591 /nfs/dbraw/zinc/16/35/91/1067163591.db2.gz JCFPBMIHUMAPQJ-DHLKQENFSA-N 1 3 455.593 4.909 20 0 JJADHO CC(C)([C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1)N1CCCC1 ZINC001458835087 1067163598 /nfs/dbraw/zinc/16/35/98/1067163598.db2.gz JCFPBMIHUMAPQJ-DHLKQENFSA-N 1 3 455.593 4.909 20 0 JJADHO CC(C)([C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1)N1CCCC1 ZINC001458835093 1067163698 /nfs/dbraw/zinc/16/36/98/1067163698.db2.gz JCFPBMIHUMAPQJ-RDGATRHJSA-N 1 3 455.593 4.909 20 0 JJADHO CC(C)([C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1)N1CCCC1 ZINC001458835093 1067163701 /nfs/dbraw/zinc/16/37/01/1067163701.db2.gz JCFPBMIHUMAPQJ-RDGATRHJSA-N 1 3 455.593 4.909 20 0 JJADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@H](C)c3ccc(Cl)c4ccccc43)cc2)CC1 ZINC001459996361 1067519555 /nfs/dbraw/zinc/51/95/55/1067519555.db2.gz OMUPMJZCEZUNHJ-LJQANCHMSA-N 1 3 451.014 4.924 20 0 JJADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001460620548 1067675301 /nfs/dbraw/zinc/67/53/01/1067675301.db2.gz SVDDJLBLNCBSDL-UFOWSGCLSA-N 1 3 455.646 4.713 20 0 JJADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001460620548 1067675303 /nfs/dbraw/zinc/67/53/03/1067675303.db2.gz SVDDJLBLNCBSDL-UFOWSGCLSA-N 1 3 455.646 4.713 20 0 JJADHO Cc1nn(Cc2ccccc2Cl)c(Cl)c1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC001461628234 1067905282 /nfs/dbraw/zinc/90/52/82/1067905282.db2.gz QQYRZNKUGBQPIK-UHFFFAOYSA-N 1 3 451.442 4.527 20 0 JJADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2sc(Nc3ccccc3)nc2s1 ZINC001464697642 1068828596 /nfs/dbraw/zinc/82/85/96/1068828596.db2.gz TUVQKIVDBWNYIX-SFHVURJKSA-N 1 3 457.669 4.590 20 0 JJADHO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164913809 721734756 /nfs/dbraw/zinc/73/47/56/721734756.db2.gz XYJGWNNNEDCRHG-NOZRDPDXSA-N 1 3 455.597 4.761 20 0 JJADHO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164913809 721734759 /nfs/dbraw/zinc/73/47/59/721734759.db2.gz XYJGWNNNEDCRHG-NOZRDPDXSA-N 1 3 455.597 4.761 20 0 JJADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC001434923428 1064352000 /nfs/dbraw/zinc/35/20/00/1064352000.db2.gz YRMUDZWFKIUUMN-AOYPEHQESA-N 1 3 451.680 4.765 20 0 JJADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC001434923428 1064352007 /nfs/dbraw/zinc/35/20/07/1064352007.db2.gz YRMUDZWFKIUUMN-AOYPEHQESA-N 1 3 451.680 4.765 20 0 JJADHO CC(C)CN1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001360014445 1064812858 /nfs/dbraw/zinc/81/28/58/1064812858.db2.gz KBBLGBBAKVMOEF-RUZDIDTESA-N 1 3 466.718 4.656 20 0 JJADHO CC(C)CN1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001360014445 1064812867 /nfs/dbraw/zinc/81/28/67/1064812867.db2.gz KBBLGBBAKVMOEF-RUZDIDTESA-N 1 3 466.718 4.656 20 0 JJADHO CC(C)CN1CCN(c2nnc(CC(C)(C)C)n2CC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC001360028024 1064829364 /nfs/dbraw/zinc/82/93/64/1064829364.db2.gz VEECVAUKAMPGBF-UHFFFAOYSA-N 1 3 472.747 4.618 20 0 JJADHO CC(C)CN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001360029892 1064831946 /nfs/dbraw/zinc/83/19/46/1064831946.db2.gz BBQRXYYVRPOADN-UHFFFAOYSA-N 1 3 487.136 4.955 20 0 JJADHO CC(C)CN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[N@@H+](C)C2CCCCC2)CC1 ZINC001360029892 1064831957 /nfs/dbraw/zinc/83/19/57/1064831957.db2.gz BBQRXYYVRPOADN-UHFFFAOYSA-N 1 3 487.136 4.955 20 0 JJADHO Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCN(CC(C)C)CC2)n1CCC[N@H+](C)C(C)C ZINC001360910440 1066066509 /nfs/dbraw/zinc/06/65/09/1066066509.db2.gz GOYGYNUVDNWQMM-UHFFFAOYSA-N 1 3 495.741 4.885 20 0 JJADHO Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCN(CC(C)C)CC2)n1CCC[N@@H+](C)C(C)C ZINC001360910440 1066066521 /nfs/dbraw/zinc/06/65/21/1066066521.db2.gz GOYGYNUVDNWQMM-UHFFFAOYSA-N 1 3 495.741 4.885 20 0 JJADHO Cc1ccc(C)c(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H](c2cccs2)N(C)C)c1 ZINC001361154727 1066451824 /nfs/dbraw/zinc/45/18/24/1066451824.db2.gz FNPIDXWPUVHPFM-QHCPKHFHSA-N 1 3 496.725 4.805 20 0 JJADHO Cc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)o1 ZINC001361220698 1066558074 /nfs/dbraw/zinc/55/80/74/1066558074.db2.gz AEWVUDSPLZZJRZ-NRFANRHFSA-N 1 3 464.658 4.896 20 0 JJADHO Cc1nn(-c2cccc(Br)c2)cc1CNC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC001461373266 1067840583 /nfs/dbraw/zinc/84/05/83/1067840583.db2.gz QSOZCJKBSXEWSR-GOSISDBHSA-N 1 3 454.416 4.653 20 0 JJADHO COc1ccc(C[C@@](C)(O)C[NH2+]C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)cc1OC ZINC001462312002 1068048789 /nfs/dbraw/zinc/04/87/89/1068048789.db2.gz ZFHKUWUZEHKJIS-IZLXSDGUSA-N 1 3 454.655 4.525 20 0 JJADHO COc1ccc(C[C@](C)(O)C[NH2+]C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)cc1OC ZINC001462312014 1068049193 /nfs/dbraw/zinc/04/91/93/1068049193.db2.gz ZFHKUWUZEHKJIS-WUFINQPMSA-N 1 3 454.655 4.525 20 0 JJADHO COc1ccc(C[C@](C)(O)C[NH2+]C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)cc1OC ZINC001462312005 1068049326 /nfs/dbraw/zinc/04/93/26/1068049326.db2.gz ZFHKUWUZEHKJIS-NSOVKSMOSA-N 1 3 454.655 4.525 20 0 JJADHO Cc1ccc(C)c(SCc2cccc(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)c2)c1 ZINC001464606024 1068797394 /nfs/dbraw/zinc/79/73/94/1068797394.db2.gz BVANPXDJPAMODG-UHFFFAOYSA-N 1 3 451.680 4.884 20 0 JJADHO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(N3CCCC3)cc3ccccc31)CC2 ZINC001164714863 720144710 /nfs/dbraw/zinc/14/47/10/720144710.db2.gz ZXRKIFJOYHYXOX-RUZDIDTESA-N 1 3 471.649 4.738 20 0 JJADHO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(N3CCCC3)cc3ccccc31)CC2 ZINC001164714863 720144732 /nfs/dbraw/zinc/14/47/32/720144732.db2.gz ZXRKIFJOYHYXOX-RUZDIDTESA-N 1 3 471.649 4.738 20 0 JJADHO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc1 ZINC001164963723 722062118 /nfs/dbraw/zinc/06/21/18/722062118.db2.gz CKFHCRSEBUMASD-SANMLTNESA-N 1 3 463.670 4.533 20 0 JJADHO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc1 ZINC001164963723 722062121 /nfs/dbraw/zinc/06/21/21/722062121.db2.gz CKFHCRSEBUMASD-SANMLTNESA-N 1 3 463.670 4.533 20 0 JJADHO CC(C)C[C@H](Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(C)(C)C)CC1)[NH+](C)C ZINC001359766698 1064393535 /nfs/dbraw/zinc/39/35/35/1064393535.db2.gz SEONHKQWXWLGOC-OAQYLSRUSA-N 1 3 452.647 4.588 20 0 JJADHO CC(C)C[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC2CC2)CC1)[NH+](C)C ZINC001359766878 1064395091 /nfs/dbraw/zinc/39/50/91/1064395091.db2.gz WOUMIWAVRJMZLQ-VWLOTQADSA-N 1 3 466.718 4.751 20 0 JJADHO CC(C)CN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001360015778 1064814687 /nfs/dbraw/zinc/81/46/87/1064814687.db2.gz SMHNLXVSBAGTBP-DHIUTWEWSA-N 1 3 486.680 4.600 20 0 JJADHO CC(C)[N@H+](C)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(C(C)(C)C)CC1 ZINC001360104268 1064985723 /nfs/dbraw/zinc/98/57/23/1064985723.db2.gz OVOKPLPEBUJTRT-UHFFFAOYSA-N 1 3 458.720 4.536 20 0 JJADHO CC(C)[N@@H+](C)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(C(C)(C)C)CC1 ZINC001360104268 1064985735 /nfs/dbraw/zinc/98/57/35/1064985735.db2.gz OVOKPLPEBUJTRT-UHFFFAOYSA-N 1 3 458.720 4.536 20 0 JJADHO C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(C)(C)C)CC1)C[NH+]1CCCCC1 ZINC001360598290 1065617640 /nfs/dbraw/zinc/61/76/40/1065617640.db2.gz WJGWEBKXINPNLX-IBGZPJMESA-N 1 3 477.072 4.780 20 0 JJADHO CCc1ccc([C@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)N(C)C)cc1 ZINC001440672021 1065961678 /nfs/dbraw/zinc/96/16/78/1065961678.db2.gz LLFWBRNAAKHASJ-CYXNTTPDSA-N 1 3 461.675 4.945 20 0 JJADHO CCc1ccc([C@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)N(C)C)cc1 ZINC001440672021 1065961691 /nfs/dbraw/zinc/96/16/91/1065961691.db2.gz LLFWBRNAAKHASJ-CYXNTTPDSA-N 1 3 461.675 4.945 20 0 JJADHO CC1(C)CN(C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C(C)(C)CN1Cc1ccccc1 ZINC001454116256 1066247127 /nfs/dbraw/zinc/24/71/27/1066247127.db2.gz ITFFVJLUEFMWMW-DEOSSOPVSA-N 1 3 451.630 4.939 20 0 JJADHO CC1(C)CN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C(C)(C)CN1Cc1ccccc1 ZINC001454116256 1066247138 /nfs/dbraw/zinc/24/71/38/1066247138.db2.gz ITFFVJLUEFMWMW-DEOSSOPVSA-N 1 3 451.630 4.939 20 0 JJADHO Cc1ccc(C)c(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H](c2cccs2)N(C)C)c1 ZINC001361154726 1066451619 /nfs/dbraw/zinc/45/16/19/1066451619.db2.gz FNPIDXWPUVHPFM-HSZRJFAPSA-N 1 3 496.725 4.805 20 0 JJADHO Cc1ccc(C)c(OCc2nnc(N3CCN(C(C)(C)C)CC3)n2CC[N@@H+]2CCCC(C)(C)C2)c1 ZINC001361160398 1066466584 /nfs/dbraw/zinc/46/65/84/1066466584.db2.gz YSXLSNKRISPFLN-UHFFFAOYSA-N 1 3 482.717 4.516 20 0 JJADHO Cc1ccc(C)c(OCc2nnc(N3CCN(C(C)(C)C)CC3)n2CC[N@H+]2CCCC(C)(C)C2)c1 ZINC001361160398 1066466588 /nfs/dbraw/zinc/46/65/88/1066466588.db2.gz YSXLSNKRISPFLN-UHFFFAOYSA-N 1 3 482.717 4.516 20 0 JJADHO Cc1nnc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001492805128 1066954268 /nfs/dbraw/zinc/95/42/68/1066954268.db2.gz ZVQHAHANNDWRAU-CJFMBICVSA-N 1 3 456.654 4.509 20 0 JJADHO Cc1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001492805128 1066954277 /nfs/dbraw/zinc/95/42/77/1066954277.db2.gz ZVQHAHANNDWRAU-CJFMBICVSA-N 1 3 456.654 4.509 20 0 JJADHO CC[C@@H](c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1C[C@H](CC(C)C)[NH+](C)C)c1ccccc1 ZINC001545732246 1066993776 /nfs/dbraw/zinc/99/37/76/1066993776.db2.gz ZMMNUMNKHMKQMW-OPBMBUAESA-N 1 3 454.707 4.715 20 0 JJADHO CN(Cc1ccccc1)C[C@@H](C[NH2+][C@@H](CO)c1ccc(Br)cc1)c1ccccc1 ZINC001460184438 1067573888 /nfs/dbraw/zinc/57/38/88/1067573888.db2.gz XVJXWNVQCBCEPW-NOZRDPDXSA-N 1 3 453.424 4.988 20 0 JJADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNCc2ccc(CN(C)C)c3c2OC(F)(F)O3)C1 ZINC001461048527 1067769297 /nfs/dbraw/zinc/76/92/97/1067769297.db2.gz KTFNTCXKKBAXAK-OALUTQOASA-N 1 3 459.581 4.837 20 0 JJADHO COC(=O)c1cc2c(o1)c(OC)ccc2CNCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001461051647 1067770047 /nfs/dbraw/zinc/77/00/47/1067770047.db2.gz YWYGGFYSEABCIF-OALUTQOASA-N 1 3 450.579 4.996 20 0 JJADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCC(C)(C)CN2C(=O)OC(C)(C)C)CC1 ZINC001461691868 1067919208 /nfs/dbraw/zinc/91/92/08/1067919208.db2.gz KSOVYBWSZOCZFE-QHCPKHFHSA-N 1 3 458.691 4.734 20 0 JJADHO CCc1ccc([C@@H](NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)c2cccc(F)c2)cc1 ZINC001464014606 1068589397 /nfs/dbraw/zinc/58/93/97/1068589397.db2.gz IXQCRMRTYYQQLY-HHHXNRCGSA-N 1 3 451.630 4.790 20 0 JJADHO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164913811 721734187 /nfs/dbraw/zinc/73/41/87/721734187.db2.gz XYJGWNNNEDCRHG-ZCYQVOJMSA-N 1 3 455.597 4.761 20 0 JJADHO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164913811 721734192 /nfs/dbraw/zinc/73/41/92/721734192.db2.gz XYJGWNNNEDCRHG-ZCYQVOJMSA-N 1 3 455.597 4.761 20 0 JJADHO CC(C)CN1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001360014446 1064813077 /nfs/dbraw/zinc/81/30/77/1064813077.db2.gz KBBLGBBAKVMOEF-VWLOTQADSA-N 1 3 466.718 4.656 20 0 JJADHO CC(C)CN1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001360014446 1064813090 /nfs/dbraw/zinc/81/30/90/1064813090.db2.gz KBBLGBBAKVMOEF-VWLOTQADSA-N 1 3 466.718 4.656 20 0 JJADHO CC(C)[N@H+](C)CC1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)N2CCc3ccccc3C2)CC1 ZINC001360095694 1064971069 /nfs/dbraw/zinc/97/10/69/1064971069.db2.gz OPLDXRBHLCXHLX-QHCPKHFHSA-N 1 3 480.745 4.870 20 0 JJADHO CC(C)[N@@H+](C)CC1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)N2CCc3ccccc3C2)CC1 ZINC001360095694 1064971083 /nfs/dbraw/zinc/97/10/83/1064971083.db2.gz OPLDXRBHLCXHLX-QHCPKHFHSA-N 1 3 480.745 4.870 20 0 JJADHO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3ccc(Cl)cc3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001360138816 1065034700 /nfs/dbraw/zinc/03/47/00/1065034700.db2.gz KFCSOBSYZWQAAR-FQEVSTJZSA-N 1 3 459.082 4.639 20 0 JJADHO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3ccc(Cl)cc3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001360138816 1065034715 /nfs/dbraw/zinc/03/47/15/1065034715.db2.gz KFCSOBSYZWQAAR-FQEVSTJZSA-N 1 3 459.082 4.639 20 0 JJADHO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3ccccc3Cl)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001360140214 1065037004 /nfs/dbraw/zinc/03/70/04/1065037004.db2.gz ZKJOAMCIKGFAKP-FQEVSTJZSA-N 1 3 459.082 4.639 20 0 JJADHO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3ccccc3Cl)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001360140214 1065037014 /nfs/dbraw/zinc/03/70/14/1065037014.db2.gz ZKJOAMCIKGFAKP-FQEVSTJZSA-N 1 3 459.082 4.639 20 0 JJADHO CC(C)[NH2+]C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001360306333 1065142006 /nfs/dbraw/zinc/14/20/06/1065142006.db2.gz CVBQEWQJNATCLB-NRFANRHFSA-N 1 3 473.090 4.930 20 0 JJADHO CCC[N@H+](Cc1ccccc1)Cc1ccc(NC(=O)[C@@H]2CCN(C)C[C@H]2c2cnn(C)c2)cc1 ZINC001437229847 1065523949 /nfs/dbraw/zinc/52/39/49/1065523949.db2.gz ZZLQAKGABXLFMK-SXOMAYOGSA-N 1 3 459.638 4.506 20 0 JJADHO CCC[N@@H+](Cc1ccccc1)Cc1ccc(NC(=O)[C@@H]2CCN(C)C[C@H]2c2cnn(C)c2)cc1 ZINC001437229847 1065523959 /nfs/dbraw/zinc/52/39/59/1065523959.db2.gz ZZLQAKGABXLFMK-SXOMAYOGSA-N 1 3 459.638 4.506 20 0 JJADHO C[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(CCC(C)(C)C)CC1)[NH+](C)C ZINC001360588278 1065591674 /nfs/dbraw/zinc/59/16/74/1065591674.db2.gz TYIPCBYJYVZTGL-LJQANCHMSA-N 1 3 479.138 4.732 20 0 JJADHO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1CC1([NH+](C)C)CCC1 ZINC001360748807 1065791042 /nfs/dbraw/zinc/79/10/42/1065791042.db2.gz GSCGSEVOPUQXET-NRFANRHFSA-N 1 3 486.680 4.600 20 0 JJADHO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1CC1([NH+](C)C)CCC1 ZINC001360748808 1065791168 /nfs/dbraw/zinc/79/11/68/1065791168.db2.gz GSCGSEVOPUQXET-OAQYLSRUSA-N 1 3 486.680 4.600 20 0 JJADHO C[C@@H](Oc1ccccc1F)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001360773472 1065871700 /nfs/dbraw/zinc/87/17/00/1065871700.db2.gz IUMCULCHMHILNL-LEWJYISDSA-N 1 3 486.680 4.598 20 0 JJADHO C[C@@H](Oc1ccccc1F)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001360773472 1065871706 /nfs/dbraw/zinc/87/17/06/1065871706.db2.gz IUMCULCHMHILNL-LEWJYISDSA-N 1 3 486.680 4.598 20 0 JJADHO O=C([C@H]1CCC[N@H+](CCc2ccccc2)C1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC001443537683 1066326729 /nfs/dbraw/zinc/32/67/29/1066326729.db2.gz JCGRNJOVVZMZJJ-VWLOTQADSA-N 1 3 454.058 4.719 20 0 JJADHO O=C([C@H]1CCC[N@@H+](CCc2ccccc2)C1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC001443537683 1066326746 /nfs/dbraw/zinc/32/67/46/1066326746.db2.gz JCGRNJOVVZMZJJ-VWLOTQADSA-N 1 3 454.058 4.719 20 0 JJADHO CC[N@H+](CCC1CCN([C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@@H]2O)CC1)CC(C)C ZINC001459813985 1067435038 /nfs/dbraw/zinc/43/50/38/1067435038.db2.gz RGGJRXLCEXNUGO-RPBOFIJWSA-N 1 3 459.675 4.924 20 0 JJADHO CC[N@@H+](CCC1CCN([C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@@H]2O)CC1)CC(C)C ZINC001459813985 1067435044 /nfs/dbraw/zinc/43/50/44/1067435044.db2.gz RGGJRXLCEXNUGO-RPBOFIJWSA-N 1 3 459.675 4.924 20 0 JJADHO CN(Cc1ccccc1)C[C@@H](C[NH2+][C@H](CO)c1ccc(Br)cc1)c1ccccc1 ZINC001460184079 1067573958 /nfs/dbraw/zinc/57/39/58/1067573958.db2.gz XVJXWNVQCBCEPW-ILBGXUMGSA-N 1 3 453.424 4.988 20 0 JJADHO COC(=O)c1cc2c(o1)c(OC)ccc2CNCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001461051646 1067770036 /nfs/dbraw/zinc/77/00/36/1067770036.db2.gz YWYGGFYSEABCIF-KDURUIRLSA-N 1 3 450.579 4.996 20 0 JJADHO COC(=O)c1cc2c(o1)c(OC)ccc2CNCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001461051646 1067770042 /nfs/dbraw/zinc/77/00/42/1067770042.db2.gz YWYGGFYSEABCIF-KDURUIRLSA-N 1 3 450.579 4.996 20 0 JJADHO CC[NH+](CC)C1CCN(c2c3c(cnc2Cl)C2(CCN(Cc4ccccc4)CC2)OC3=O)CC1 ZINC001165053681 722004949 /nfs/dbraw/zinc/00/49/49/722004949.db2.gz RZNGPBDGLZMBLP-UHFFFAOYSA-N 1 3 483.056 4.707 20 0 JJADHO CC(C)C[C@@H](Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(C)(C)C)CC1)[NH+](C)C ZINC001359766697 1064393581 /nfs/dbraw/zinc/39/35/81/1064393581.db2.gz SEONHKQWXWLGOC-NRFANRHFSA-N 1 3 452.647 4.588 20 0 JJADHO CC(C)Cc1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001359848720 1064534327 /nfs/dbraw/zinc/53/43/27/1064534327.db2.gz BLCMSKRNSKHNPE-VWLOTQADSA-N 1 3 466.718 4.699 20 0 JJADHO CC(C)Cc1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001359848720 1064534340 /nfs/dbraw/zinc/53/43/40/1064534340.db2.gz BLCMSKRNSKHNPE-VWLOTQADSA-N 1 3 466.718 4.699 20 0 JJADHO CC(C)C[N@@H+]1CCC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001360010351 1064801773 /nfs/dbraw/zinc/80/17/73/1064801773.db2.gz ONVFSCCVVOBUKD-QHCPKHFHSA-N 1 3 487.136 4.811 20 0 JJADHO CC(C)C[N@H+]1CCC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001360010351 1064801785 /nfs/dbraw/zinc/80/17/85/1064801785.db2.gz ONVFSCCVVOBUKD-QHCPKHFHSA-N 1 3 487.136 4.811 20 0 JJADHO CC(C)CN1CCN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001360021239 1064824608 /nfs/dbraw/zinc/82/46/08/1064824608.db2.gz BOIMGIZZBAYZJR-OAQYLSRUSA-N 1 3 473.109 4.887 20 0 JJADHO CC(C)CN1CCN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001360021239 1064824622 /nfs/dbraw/zinc/82/46/22/1064824622.db2.gz BOIMGIZZBAYZJR-OAQYLSRUSA-N 1 3 473.109 4.887 20 0 JJADHO CC(C)CN1CCN(c2nnc(CC(C)(C)C)n2CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001360028197 1064829179 /nfs/dbraw/zinc/82/91/79/1064829179.db2.gz YRFVRXFXJMWQOR-AOYPEHQESA-N 1 3 480.745 4.945 20 0 JJADHO CC(C)CN1CCN(c2nnc(CC(C)(C)C)n2CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001360028197 1064829186 /nfs/dbraw/zinc/82/91/86/1064829186.db2.gz YRFVRXFXJMWQOR-AOYPEHQESA-N 1 3 480.745 4.945 20 0 JJADHO CC(C)CN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001360030146 1064832143 /nfs/dbraw/zinc/83/21/43/1064832143.db2.gz DWRHTCXAKXADBK-UHFFFAOYSA-N 1 3 473.109 4.565 20 0 JJADHO CC(C)[NH+](CCn1c(Cn2ccc3ccccc32)nnc1N1CCN(CCC(C)(C)C)CC1)C(C)C ZINC001360134636 1065030643 /nfs/dbraw/zinc/03/06/43/1065030643.db2.gz MIDSSLWUJMBRRK-UHFFFAOYSA-N 1 3 493.744 4.958 20 0 JJADHO C[C@H](CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CCC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001360510096 1065452508 /nfs/dbraw/zinc/45/25/08/1065452508.db2.gz DKZIYBFHOSQBEH-HSZRJFAPSA-N 1 3 484.708 4.831 20 0 JJADHO CCC[N@H+](Cc1ccccc1)Cc1ccc(NC(=O)[C@H]2CCN(C)C[C@H]2c2cnn(C)c2)cc1 ZINC001437229845 1065523627 /nfs/dbraw/zinc/52/36/27/1065523627.db2.gz ZZLQAKGABXLFMK-SVBPBHIXSA-N 1 3 459.638 4.506 20 0 JJADHO CCC[N@@H+](Cc1ccccc1)Cc1ccc(NC(=O)[C@H]2CCN(C)C[C@H]2c2cnn(C)c2)cc1 ZINC001437229845 1065523638 /nfs/dbraw/zinc/52/36/38/1065523638.db2.gz ZZLQAKGABXLFMK-SVBPBHIXSA-N 1 3 459.638 4.506 20 0 JJADHO C[C@@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(CCC(C)(C)C)CC1)[NH+](C)C ZINC001360760684 1065833860 /nfs/dbraw/zinc/83/38/60/1065833860.db2.gz RESLHHJMCRDZBT-PMACEKPBSA-N 1 3 477.097 4.580 20 0 JJADHO CC(C)[N@H+](C)CCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001360760849 1065834868 /nfs/dbraw/zinc/83/48/68/1065834868.db2.gz UHVBPXIFKHTOOY-HXUWFJFHSA-N 1 3 477.097 4.722 20 0 JJADHO CC(C)[N@@H+](C)CCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001360760849 1065834877 /nfs/dbraw/zinc/83/48/77/1065834877.db2.gz UHVBPXIFKHTOOY-HXUWFJFHSA-N 1 3 477.097 4.722 20 0 JJADHO C[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CCC(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001360773474 1065871978 /nfs/dbraw/zinc/87/19/78/1065871978.db2.gz IUMCULCHMHILNL-RTWAWAEBSA-N 1 3 486.680 4.598 20 0 JJADHO C[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CCC(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001360773474 1065871995 /nfs/dbraw/zinc/87/19/95/1065871995.db2.gz IUMCULCHMHILNL-RTWAWAEBSA-N 1 3 486.680 4.598 20 0 JJADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1)c1ccsc1 ZINC001441320295 1066027332 /nfs/dbraw/zinc/02/73/32/1066027332.db2.gz UCEQBRKWKQBXJG-JIMJEQGWSA-N 1 3 462.663 4.558 20 0 JJADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1)c1ccsc1 ZINC001441320295 1066027342 /nfs/dbraw/zinc/02/73/42/1066027342.db2.gz UCEQBRKWKQBXJG-JIMJEQGWSA-N 1 3 462.663 4.558 20 0 JJADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1)c1ccsc1 ZINC001441320305 1066027384 /nfs/dbraw/zinc/02/73/84/1066027384.db2.gz UCEQBRKWKQBXJG-NXCFDTQHSA-N 1 3 462.663 4.558 20 0 JJADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1)c1ccsc1 ZINC001441320305 1066027391 /nfs/dbraw/zinc/02/73/91/1066027391.db2.gz UCEQBRKWKQBXJG-NXCFDTQHSA-N 1 3 462.663 4.558 20 0 JJADHO C[NH+]1CCC(N2CCC(NC(=O)C3(c4cccc(C(F)(F)F)c4)CCCCC3)CC2)CC1 ZINC001442660952 1066148913 /nfs/dbraw/zinc/14/89/13/1066148913.db2.gz GRKOTAIRMXWGBR-UHFFFAOYSA-N 1 3 451.577 4.582 20 0 JJADHO CC[NH+]1CCC(N2CCC(C(=O)N(Cc3cccc(C(F)(F)F)c3)CC(C)C)CC2)CC1 ZINC001454066867 1066242667 /nfs/dbraw/zinc/24/26/67/1066242667.db2.gz XYAQHJZGJMQRAH-UHFFFAOYSA-N 1 3 453.593 4.886 20 0 JJADHO CC1(C)CN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C(C)(C)CN1Cc1ccccc1 ZINC001454116261 1066246700 /nfs/dbraw/zinc/24/67/00/1066246700.db2.gz ITFFVJLUEFMWMW-XMMPIXPASA-N 1 3 451.630 4.939 20 0 JJADHO CC1(C)CN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C(C)(C)CN1Cc1ccccc1 ZINC001454116261 1066246712 /nfs/dbraw/zinc/24/67/12/1066246712.db2.gz ITFFVJLUEFMWMW-XMMPIXPASA-N 1 3 451.630 4.939 20 0 JJADHO CN(C)C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC001454574087 1066303384 /nfs/dbraw/zinc/30/33/84/1066303384.db2.gz ITQVACKJEJOOMM-AVRDEDQJSA-N 1 3 452.401 4.764 20 0 JJADHO CN(C)C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC001454574087 1066303402 /nfs/dbraw/zinc/30/34/02/1066303402.db2.gz ITQVACKJEJOOMM-AVRDEDQJSA-N 1 3 452.401 4.764 20 0 JJADHO Cc1ccc(C)c(OCc2nnc(N3CCN(CCC(C)(C)C)CC3)n2C[C@H](C)C[NH+]2CCCC2)c1 ZINC001361162241 1066469360 /nfs/dbraw/zinc/46/93/60/1066469360.db2.gz LIRYLQNJUFIKAX-XMMPIXPASA-N 1 3 496.744 4.764 20 0 JJADHO Cc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@H](c2cccs2)N(C)C)o1 ZINC001361218956 1066555673 /nfs/dbraw/zinc/55/56/73/1066555673.db2.gz YEKAWLICVIORJW-LJQANCHMSA-N 1 3 456.660 4.522 20 0 JJADHO Cc1ccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@H](c2cccs2)N(C)C)o1 ZINC001361218956 1066555683 /nfs/dbraw/zinc/55/56/83/1066555683.db2.gz YEKAWLICVIORJW-LJQANCHMSA-N 1 3 456.660 4.522 20 0 JJADHO Cc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@@H](c2ccsc2)N(C)C)o1 ZINC001361225849 1066564408 /nfs/dbraw/zinc/56/44/08/1066564408.db2.gz OJAMFQRTCRBZGD-NRFANRHFSA-N 1 3 470.687 4.769 20 0 JJADHO CC[C@@H](c1nnc(N2C[C@@H](C)N(CC)C[C@@H]2C)n1CC(C)(C)[NH+]1CCC(OC)CC1)c1ccccc1 ZINC001545730633 1066988272 /nfs/dbraw/zinc/98/82/72/1066988272.db2.gz CUTATAQXPVNIKJ-MVERNJQCSA-N 1 3 496.744 4.628 20 0 JJADHO CC[C@H](c1nnc(N2CCN(CC(C)C)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC001545758650 1067039057 /nfs/dbraw/zinc/03/90/57/1067039057.db2.gz KTLSSVVVLGSHHV-AHWVRZQESA-N 1 3 466.718 4.863 20 0 JJADHO CC[C@H](c1nnc(N2CCN(CC(C)C)CC2)n1CCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC001545758650 1067039075 /nfs/dbraw/zinc/03/90/75/1067039075.db2.gz KTLSSVVVLGSHHV-AHWVRZQESA-N 1 3 466.718 4.863 20 0 JJADHO CCN1CCN(c2ccc(NC(=O)C[NH2+]C3(c4ccc(Cl)cc4)CCCCC3)cc2)CC1 ZINC001459714081 1067393099 /nfs/dbraw/zinc/39/30/99/1067393099.db2.gz NBFNLURIGVRZOB-UHFFFAOYSA-N 1 3 455.046 4.870 20 0 JJADHO CC[N@H+](CCC1CCN([C@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@@H]2O)CC1)CC(C)C ZINC001459813977 1067434890 /nfs/dbraw/zinc/43/48/90/1067434890.db2.gz RGGJRXLCEXNUGO-DQEYMECFSA-N 1 3 459.675 4.924 20 0 JJADHO CC[N@@H+](CCC1CCN([C@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@@H]2O)CC1)CC(C)C ZINC001459813977 1067434897 /nfs/dbraw/zinc/43/48/97/1067434897.db2.gz RGGJRXLCEXNUGO-DQEYMECFSA-N 1 3 459.675 4.924 20 0 JJADHO O=C(CNC1(c2ccc(C(F)(F)F)cc2)CCCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001459937513 1067499036 /nfs/dbraw/zinc/49/90/36/1067499036.db2.gz XJEBBXUBYPHZEJ-UHFFFAOYSA-N 1 3 459.556 4.977 20 0 JJADHO Cc1ccc([C@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)N(C)C)cc1 ZINC001464548055 1068778470 /nfs/dbraw/zinc/77/84/70/1068778470.db2.gz VMFRBTHDPTWESB-NHKHRBQYSA-N 1 3 455.646 4.938 20 0 JJADHO Cc1ccc([C@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)N(C)C)cc1 ZINC001464548055 1068778483 /nfs/dbraw/zinc/77/84/83/1068778483.db2.gz VMFRBTHDPTWESB-NHKHRBQYSA-N 1 3 455.646 4.938 20 0 JJADHO CC(C)C[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCCC2)CC1)[NH+](C)C ZINC001359765071 1064385987 /nfs/dbraw/zinc/38/59/87/1064385987.db2.gz PHTNNNFPUZAMPQ-FYYLOGMGSA-N 1 3 486.680 4.598 20 0 JJADHO CC(C)C[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCCC2)CC1)[NH+](C)C ZINC001359765074 1064386013 /nfs/dbraw/zinc/38/60/13/1064386013.db2.gz PHTNNNFPUZAMPQ-JTHBVZDNSA-N 1 3 486.680 4.598 20 0 JJADHO CC(C)C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CCC(C)(C)C)CC1)[NH+](C)C ZINC001359771115 1064403534 /nfs/dbraw/zinc/40/35/34/1064403534.db2.gz QURQMKASOYPVLN-NRFANRHFSA-N 1 3 490.687 4.682 20 0 JJADHO CC(C)C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CCC(C)(C)C)CC1)[NH+](C)C ZINC001359771116 1064403746 /nfs/dbraw/zinc/40/37/46/1064403746.db2.gz QURQMKASOYPVLN-OAQYLSRUSA-N 1 3 490.687 4.682 20 0 JJADHO CC(C)CN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001360015782 1064814525 /nfs/dbraw/zinc/81/45/25/1064814525.db2.gz SMHNLXVSBAGTBP-PKTZIBPZSA-N 1 3 486.680 4.600 20 0 JJADHO CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCCC[NH+]2CCCC2)CC1 ZINC001360018230 1064819482 /nfs/dbraw/zinc/81/94/82/1064819482.db2.gz NTRIXXBJUMWFFG-UHFFFAOYSA-N 1 3 477.072 4.782 20 0 JJADHO CC(C)[N@H+](C)Cc1ccccc1Cn1c(CC2CC2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001360092382 1064960623 /nfs/dbraw/zinc/96/06/23/1064960623.db2.gz DDUMZNWDJFIIRT-UHFFFAOYSA-N 1 3 466.718 4.677 20 0 JJADHO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(CC2CC2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001360092382 1064960634 /nfs/dbraw/zinc/96/06/34/1064960634.db2.gz DDUMZNWDJFIIRT-UHFFFAOYSA-N 1 3 466.718 4.677 20 0 JJADHO CC(C)[NH2+]C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001360306382 1065142042 /nfs/dbraw/zinc/14/20/42/1065142042.db2.gz CVBQEWQJNATCLB-OAQYLSRUSA-N 1 3 473.090 4.930 20 0 JJADHO Cc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@@H](c2cccs2)N(C)C)o1 ZINC001361218955 1066555847 /nfs/dbraw/zinc/55/58/47/1066555847.db2.gz YEKAWLICVIORJW-IBGZPJMESA-N 1 3 456.660 4.522 20 0 JJADHO Cc1ccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@@H](c2cccs2)N(C)C)o1 ZINC001361218955 1066555858 /nfs/dbraw/zinc/55/58/58/1066555858.db2.gz YEKAWLICVIORJW-IBGZPJMESA-N 1 3 456.660 4.522 20 0 JJADHO Cc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CCC[N@@H+](C)C(C)C)cc1Br ZINC001361221189 1066559430 /nfs/dbraw/zinc/55/94/30/1066559430.db2.gz QELVTWOICVNSSB-UHFFFAOYSA-N 1 3 491.522 4.667 20 0 JJADHO Cc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CCC[N@H+](C)C(C)C)cc1Br ZINC001361221189 1066559438 /nfs/dbraw/zinc/55/94/38/1066559438.db2.gz QELVTWOICVNSSB-UHFFFAOYSA-N 1 3 491.522 4.667 20 0 JJADHO CC[C@@H](c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1C[C@H](CC(C)C)[NH+](C)C)c1ccccc1 ZINC001545732247 1066993724 /nfs/dbraw/zinc/99/37/24/1066993724.db2.gz ZMMNUMNKHMKQMW-TVYALGDOSA-N 1 3 454.707 4.715 20 0 JJADHO CC[C@@H](c1nnc(N2CCN(CC(C)C)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC001545758652 1067039185 /nfs/dbraw/zinc/03/91/85/1067039185.db2.gz KTLSSVVVLGSHHV-AZGAKELHSA-N 1 3 466.718 4.863 20 0 JJADHO CC[C@@H](c1nnc(N2CCN(CC(C)C)CC2)n1CCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC001545758652 1067039202 /nfs/dbraw/zinc/03/92/02/1067039202.db2.gz KTLSSVVVLGSHHV-AZGAKELHSA-N 1 3 466.718 4.863 20 0 JJADHO CCc1ccc([C@H](CNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)[NH+](CC)CC)cc1 ZINC001450482432 1067084790 /nfs/dbraw/zinc/08/47/90/1067084790.db2.gz LJQXDHJMAVEFML-DQEYMECFSA-N 1 3 457.609 4.906 20 0 JJADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001461986567 1067975257 /nfs/dbraw/zinc/97/52/57/1067975257.db2.gz DFQPIXMWPRIMDF-UZVYXBEXSA-N 1 3 456.030 4.956 20 0 JJADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)cc1 ZINC001464166002 1068640417 /nfs/dbraw/zinc/64/04/17/1068640417.db2.gz AEECZXYHZVANAV-OFVILXPXSA-N 1 3 455.593 4.835 20 0 JJADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)cc1 ZINC001464166002 1068640422 /nfs/dbraw/zinc/64/04/22/1068640422.db2.gz AEECZXYHZVANAV-OFVILXPXSA-N 1 3 455.593 4.835 20 0 JJADHO CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001360017173 1064816786 /nfs/dbraw/zinc/81/67/86/1064816786.db2.gz AXZXRTVDBVSRLM-OAQYLSRUSA-N 1 3 491.099 4.884 20 0 JJADHO CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001360017173 1064816806 /nfs/dbraw/zinc/81/68/06/1064816806.db2.gz AXZXRTVDBVSRLM-OAQYLSRUSA-N 1 3 491.099 4.884 20 0 JJADHO CC(C)[N@H+](C)CC1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)N2CCc3ccccc3C2)CC1 ZINC001360095693 1064970974 /nfs/dbraw/zinc/97/09/74/1064970974.db2.gz OPLDXRBHLCXHLX-HSZRJFAPSA-N 1 3 480.745 4.870 20 0 JJADHO CC(C)[N@@H+](C)CC1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)N2CCc3ccccc3C2)CC1 ZINC001360095693 1064970984 /nfs/dbraw/zinc/97/09/84/1064970984.db2.gz OPLDXRBHLCXHLX-HSZRJFAPSA-N 1 3 480.745 4.870 20 0 JJADHO CC(C)[C@@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(C)(C)C)CC1)[NH+]1CCCC1 ZINC001360774847 1065875393 /nfs/dbraw/zinc/87/53/93/1065875393.db2.gz URTCSFFGFWMPMA-FYYLOGMGSA-N 1 3 486.680 4.598 20 0 JJADHO Cc1cccc(O[C@@H](C)c2nnc(N3CCN(C(C)(C)C)CC3)n2CCC[NH+]2CCCCC2)c1C ZINC001360877455 1066023535 /nfs/dbraw/zinc/02/35/35/1066023535.db2.gz LPWRMDXRMYPCCI-DEOSSOPVSA-N 1 3 482.717 4.831 20 0 JJADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H](Sc3ccccc3Cl)c3ccccc3)CC2)CC1 ZINC001442659389 1066148150 /nfs/dbraw/zinc/14/81/50/1066148150.db2.gz CODNWLLQCNGVRC-XMMPIXPASA-N 1 3 458.071 4.848 20 0 JJADHO CCCN(C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001442865205 1066232810 /nfs/dbraw/zinc/23/28/10/1066232810.db2.gz BNVQRQFTIXBAJR-BDYUSTAISA-N 1 3 451.630 4.941 20 0 JJADHO CCCN(C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001442865205 1066232828 /nfs/dbraw/zinc/23/28/28/1066232828.db2.gz BNVQRQFTIXBAJR-BDYUSTAISA-N 1 3 451.630 4.941 20 0 JJADHO CN(C)C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC001454574091 1066302803 /nfs/dbraw/zinc/30/28/03/1066302803.db2.gz ITQVACKJEJOOMM-PGRDOPGGSA-N 1 3 452.401 4.764 20 0 JJADHO CN(C)C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC001454574091 1066302823 /nfs/dbraw/zinc/30/28/23/1066302823.db2.gz ITQVACKJEJOOMM-PGRDOPGGSA-N 1 3 452.401 4.764 20 0 JJADHO CN(C)C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC001454574089 1066303480 /nfs/dbraw/zinc/30/34/80/1066303480.db2.gz ITQVACKJEJOOMM-GCJKJVERSA-N 1 3 452.401 4.764 20 0 JJADHO CN(C)C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC001454574089 1066303491 /nfs/dbraw/zinc/30/34/91/1066303491.db2.gz ITQVACKJEJOOMM-GCJKJVERSA-N 1 3 452.401 4.764 20 0 JJADHO CC[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)N(CC)C[C@H]1C)[NH+]1CCCC1 ZINC001545964222 1066403487 /nfs/dbraw/zinc/40/34/87/1066403487.db2.gz ABOFRHNDMFJTTD-QWFCFKBJSA-N 1 3 463.045 4.531 20 0 JJADHO O=C(c1ccc(NC2=NCCC2)cc1)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001444864656 1066514605 /nfs/dbraw/zinc/51/46/05/1066514605.db2.gz NPFNFMSYEGNLJL-HXUWFJFHSA-N 1 3 458.528 4.817 20 0 JJADHO O=C(c1ccc(NC2=NCCC2)cc1)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001444864656 1066514615 /nfs/dbraw/zinc/51/46/15/1066514615.db2.gz NPFNFMSYEGNLJL-HXUWFJFHSA-N 1 3 458.528 4.817 20 0 JJADHO CC[C@@H](c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1CC(C)(C)[NH+]1CCC(OC)CC1)c1ccccc1 ZINC001545730634 1066988312 /nfs/dbraw/zinc/98/83/12/1066988312.db2.gz CUTATAQXPVNIKJ-PPJWLVRDSA-N 1 3 496.744 4.628 20 0 JJADHO CCC(CC)[C@@H](Cn1c(-c2cccc3cccnc32)nnc1N1CCN(C(C)(C)C)CC1)[NH+](C)C ZINC001545807698 1067127469 /nfs/dbraw/zinc/12/74/69/1067127469.db2.gz MSCFFOFMHRVVDH-XMMPIXPASA-N 1 3 477.701 4.780 20 0 JJADHO CC[N@H+](CCC1CCN([C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@H]2O)CC1)CC(C)C ZINC001459813981 1067435064 /nfs/dbraw/zinc/43/50/64/1067435064.db2.gz RGGJRXLCEXNUGO-JWQCQUIFSA-N 1 3 459.675 4.924 20 0 JJADHO CC[N@@H+](CCC1CCN([C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@H]2O)CC1)CC(C)C ZINC001459813981 1067435069 /nfs/dbraw/zinc/43/50/69/1067435069.db2.gz RGGJRXLCEXNUGO-JWQCQUIFSA-N 1 3 459.675 4.924 20 0 JJADHO CN(CCOc1c(Br)cccc1Br)Cc1ccc(C[NH+](C)C)cc1 ZINC001459875531 1067469432 /nfs/dbraw/zinc/46/94/32/1067469432.db2.gz DQHKMVLCTOYTMF-UHFFFAOYSA-N 1 3 456.222 4.784 20 0 JJADHO CN(Cc1ccccc1)C[C@H](C[NH2+][C@@H](CO)c1ccc(Br)cc1)c1ccccc1 ZINC001460184440 1067573848 /nfs/dbraw/zinc/57/38/48/1067573848.db2.gz XVJXWNVQCBCEPW-ZCYQVOJMSA-N 1 3 453.424 4.988 20 0 JJADHO CN(C)[C@H](CNC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCCCC1)c1ccccc1 ZINC001460409842 1067629850 /nfs/dbraw/zinc/62/98/50/1067629850.db2.gz MQCCFWNQMMTBJY-JOCHJYFZSA-N 1 3 458.444 4.617 20 0 JJADHO Cc1nc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccc(NC(=O)c4cccs4)cc3)CC2)[nH]c1C ZINC001460784561 1067722968 /nfs/dbraw/zinc/72/29/68/1067722968.db2.gz FXVSMPHVAFXQLU-KRWDZBQOSA-N 1 3 451.596 4.547 20 0 JJADHO OC1CC[NH+](Cc2ccc(CNCc3ccc(Br)cc3C(F)(F)F)cc2)CC1 ZINC001461161099 1067791446 /nfs/dbraw/zinc/79/14/46/1067791446.db2.gz ROAWLWTZANLUEB-UHFFFAOYSA-N 1 3 457.334 4.714 20 0 JJADHO CN(Cc1ccccc1CNCc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)OC(C)(C)C ZINC001461614795 1067902261 /nfs/dbraw/zinc/90/22/61/1067902261.db2.gz BAHZEIWNMHMNKW-UHFFFAOYSA-N 1 3 453.627 4.818 20 0 JJADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCC(C)(C)CN2C(=O)OC(C)(C)C)CC1 ZINC001461691865 1067919127 /nfs/dbraw/zinc/91/91/27/1067919127.db2.gz KSOVYBWSZOCZFE-HSZRJFAPSA-N 1 3 458.691 4.734 20 0 JJADHO O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCC4(CCCC[NH2+]4)CC3)c21 ZINC001164386946 718803331 /nfs/dbraw/zinc/80/33/31/718803331.db2.gz HSBLGBYFNGDCHO-UHFFFAOYSA-N 1 3 481.040 4.509 20 0 JJADHO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(N3CCCC3)cc3ccccc31)CC2 ZINC001164714865 720145439 /nfs/dbraw/zinc/14/54/39/720145439.db2.gz ZXRKIFJOYHYXOX-VWLOTQADSA-N 1 3 471.649 4.738 20 0 JJADHO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(N3CCCC3)cc3ccccc31)CC2 ZINC001164714865 720145446 /nfs/dbraw/zinc/14/54/46/720145446.db2.gz ZXRKIFJOYHYXOX-VWLOTQADSA-N 1 3 471.649 4.738 20 0 JJADHO CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001360018584 1064820098 /nfs/dbraw/zinc/82/00/98/1064820098.db2.gz SIZRPEMHDDLFER-UHFFFAOYSA-N 1 3 479.500 4.762 20 0 JJADHO CC(C)CN1CCN(c2nnc(CC(C)(C)C)n2CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001360028196 1064829437 /nfs/dbraw/zinc/82/94/37/1064829437.db2.gz YRFVRXFXJMWQOR-AHWVRZQESA-N 1 3 480.745 4.945 20 0 JJADHO CC(C)CN1CCN(c2nnc(CC(C)(C)C)n2CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001360028196 1064829451 /nfs/dbraw/zinc/82/94/51/1064829451.db2.gz YRFVRXFXJMWQOR-AHWVRZQESA-N 1 3 480.745 4.945 20 0 JJADHO CC(C)[N@@H+]1CCC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001360141611 1065041287 /nfs/dbraw/zinc/04/12/87/1065041287.db2.gz QRSWRVRAFDYMAQ-JOCHJYFZSA-N 1 3 473.109 4.563 20 0 JJADHO CC(C)[N@H+]1CCC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001360141611 1065041303 /nfs/dbraw/zinc/04/13/03/1065041303.db2.gz QRSWRVRAFDYMAQ-JOCHJYFZSA-N 1 3 473.109 4.563 20 0 JJADHO C[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001360586934 1065587879 /nfs/dbraw/zinc/58/78/79/1065587879.db2.gz IZVRYUHQVOQEHJ-GOSISDBHSA-N 1 3 477.122 4.627 20 0 JJADHO C[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001360586934 1065587884 /nfs/dbraw/zinc/58/78/84/1065587884.db2.gz IZVRYUHQVOQEHJ-GOSISDBHSA-N 1 3 477.122 4.627 20 0 JJADHO C[C@@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CCC(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001360773475 1065871865 /nfs/dbraw/zinc/87/18/65/1065871865.db2.gz IUMCULCHMHILNL-SFTDATJTSA-N 1 3 486.680 4.598 20 0 JJADHO C[C@@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CCC(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001360773475 1065871883 /nfs/dbraw/zinc/87/18/83/1065871883.db2.gz IUMCULCHMHILNL-SFTDATJTSA-N 1 3 486.680 4.598 20 0 JJADHO CN(C)[C@@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)Cc1ccccc1 ZINC001440676768 1065963247 /nfs/dbraw/zinc/96/32/47/1065963247.db2.gz PKDPJQUJXUYVGP-OZNIXHKMSA-N 1 3 476.064 4.845 20 0 JJADHO CN(C)[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)Cc1ccccc1 ZINC001440676768 1065963263 /nfs/dbraw/zinc/96/32/63/1065963263.db2.gz PKDPJQUJXUYVGP-OZNIXHKMSA-N 1 3 476.064 4.845 20 0 JJADHO Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(C)C)CC3)n2CC[N@@H+]2CCCC(C)(C)C2)c1C ZINC001360878657 1066026420 /nfs/dbraw/zinc/02/64/20/1066026420.db2.gz XPXCOASRQNDHFS-RUZDIDTESA-N 1 3 496.744 4.935 20 0 JJADHO Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(C)C)CC3)n2CC[N@H+]2CCCC(C)(C)C2)c1C ZINC001360878657 1066026431 /nfs/dbraw/zinc/02/64/31/1066026431.db2.gz XPXCOASRQNDHFS-RUZDIDTESA-N 1 3 496.744 4.935 20 0 JJADHO CCCN1CCN(c2ccc(NC(=O)[C@@H]3CCCC[N@@H+]3Cc3ccccc3)cc2Cl)CC1 ZINC001442246420 1066107815 /nfs/dbraw/zinc/10/78/15/1066107815.db2.gz OKGOVBRFTZYNEV-VWLOTQADSA-N 1 3 455.046 4.865 20 0 JJADHO CCCN1CCN(c2ccc(NC(=O)[C@@H]3CCCC[N@H+]3Cc3ccccc3)cc2Cl)CC1 ZINC001442246420 1066107822 /nfs/dbraw/zinc/10/78/22/1066107822.db2.gz OKGOVBRFTZYNEV-VWLOTQADSA-N 1 3 455.046 4.865 20 0 JJADHO CN(C)C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC001454574093 1066302884 /nfs/dbraw/zinc/30/28/84/1066302884.db2.gz ITQVACKJEJOOMM-XMSQKQJNSA-N 1 3 452.401 4.764 20 0 JJADHO CN(C)C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC001454574093 1066302898 /nfs/dbraw/zinc/30/28/98/1066302898.db2.gz ITQVACKJEJOOMM-XMSQKQJNSA-N 1 3 452.401 4.764 20 0 JJADHO Cc1ccc(C)c(OCc2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC001361159894 1066465779 /nfs/dbraw/zinc/46/57/79/1066465779.db2.gz NRTATXXKWXQYLJ-XMMPIXPASA-N 1 3 482.717 4.515 20 0 JJADHO CCOc1cccc(F)c1CNCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001461034432 1067766137 /nfs/dbraw/zinc/76/61/37/1067766137.db2.gz DAJOGKYCLOSADH-UHFFFAOYSA-N 1 3 453.524 4.935 20 0 JJADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNCc2ccc(CN(C)C)c3c2OC(F)(F)O3)C1 ZINC001461048528 1067769321 /nfs/dbraw/zinc/76/93/21/1067769321.db2.gz KTFNTCXKKBAXAK-RTBURBONSA-N 1 3 459.581 4.837 20 0 JJADHO CN(C)Cc1ccc(C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)c2c1OC(F)(F)O2 ZINC001461418470 1067851717 /nfs/dbraw/zinc/85/17/17/1067851717.db2.gz SBMOOVAUFKFBEA-UHFFFAOYSA-N 1 3 452.299 4.603 20 0 JJADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001461986559 1067975395 /nfs/dbraw/zinc/97/53/95/1067975395.db2.gz DFQPIXMWPRIMDF-CVNLYIMZSA-N 1 3 456.030 4.956 20 0 JJADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)cc1 ZINC001464166010 1068640450 /nfs/dbraw/zinc/64/04/50/1068640450.db2.gz AEECZXYHZVANAV-SQJMNOBHSA-N 1 3 455.593 4.835 20 0 JJADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)cc1 ZINC001464166010 1068640457 /nfs/dbraw/zinc/64/04/57/1068640457.db2.gz AEECZXYHZVANAV-SQJMNOBHSA-N 1 3 455.593 4.835 20 0 JJADHO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164913810 721734613 /nfs/dbraw/zinc/73/46/13/721734613.db2.gz XYJGWNNNEDCRHG-UKILVPOCSA-N 1 3 455.597 4.761 20 0 JJADHO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164913810 721734621 /nfs/dbraw/zinc/73/46/21/721734621.db2.gz XYJGWNNNEDCRHG-UKILVPOCSA-N 1 3 455.597 4.761 20 0 JJADHO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001360010350 1064801804 /nfs/dbraw/zinc/80/18/04/1064801804.db2.gz ONVFSCCVVOBUKD-HSZRJFAPSA-N 1 3 487.136 4.811 20 0 JJADHO CC(C)C[N@H+]1CCC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001360010350 1064801821 /nfs/dbraw/zinc/80/18/21/1064801821.db2.gz ONVFSCCVVOBUKD-HSZRJFAPSA-N 1 3 487.136 4.811 20 0 JJADHO CC(C)CN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001360015780 1064814766 /nfs/dbraw/zinc/81/47/66/1064814766.db2.gz SMHNLXVSBAGTBP-GOTSBHOMSA-N 1 3 486.680 4.600 20 0 JJADHO CC(C)CN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001360015783 1064814844 /nfs/dbraw/zinc/81/48/44/1064814844.db2.gz SMHNLXVSBAGTBP-XZOQPEGZSA-N 1 3 486.680 4.600 20 0 JJADHO CC(C)CN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001360030532 1064832906 /nfs/dbraw/zinc/83/29/06/1064832906.db2.gz LHHICZYCJZBXQD-QFIPXVFZSA-N 1 3 488.671 4.580 20 0 JJADHO CC(C)CN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001360030532 1064832919 /nfs/dbraw/zinc/83/29/19/1064832919.db2.gz LHHICZYCJZBXQD-QFIPXVFZSA-N 1 3 488.671 4.580 20 0 JJADHO C[C@@H](CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CCC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001360510097 1065452606 /nfs/dbraw/zinc/45/26/06/1065452606.db2.gz DKZIYBFHOSQBEH-QHCPKHFHSA-N 1 3 484.708 4.831 20 0 JJADHO C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(C)(C)C)CC1)C[NH+]1CCCCC1 ZINC001360598291 1065617494 /nfs/dbraw/zinc/61/74/94/1065617494.db2.gz WJGWEBKXINPNLX-LJQANCHMSA-N 1 3 477.072 4.780 20 0 JJADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](c3ccc(C(C)(C)C)cc3)C(F)(F)F)CC2)CC1 ZINC001442234453 1066105777 /nfs/dbraw/zinc/10/57/77/1066105777.db2.gz SEWXPEZOYDYJPQ-JOCHJYFZSA-N 1 3 453.593 4.900 20 0 JJADHO CCCN(C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001442865211 1066233885 /nfs/dbraw/zinc/23/38/85/1066233885.db2.gz BNVQRQFTIXBAJR-VPUSJEBWSA-N 1 3 451.630 4.941 20 0 JJADHO CCCN(C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001442865211 1066233903 /nfs/dbraw/zinc/23/39/03/1066233903.db2.gz BNVQRQFTIXBAJR-VPUSJEBWSA-N 1 3 451.630 4.941 20 0 JJADHO O=C([C@@H]1CCC[N@H+](CCc2ccccc2)C1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC001443537675 1066326659 /nfs/dbraw/zinc/32/66/59/1066326659.db2.gz JCGRNJOVVZMZJJ-RUZDIDTESA-N 1 3 454.058 4.719 20 0 JJADHO O=C([C@@H]1CCC[N@@H+](CCc2ccccc2)C1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC001443537675 1066326678 /nfs/dbraw/zinc/32/66/78/1066326678.db2.gz JCGRNJOVVZMZJJ-RUZDIDTESA-N 1 3 454.058 4.719 20 0 JJADHO CC[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)N(CC)C[C@@H]1C)[NH+]1CCCC1 ZINC001545964220 1066403381 /nfs/dbraw/zinc/40/33/81/1066403381.db2.gz ABOFRHNDMFJTTD-CMKODMSKSA-N 1 3 463.045 4.531 20 0 JJADHO O=C(c1ccc(NC2=NCCC2)cc1)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001444864653 1066514871 /nfs/dbraw/zinc/51/48/71/1066514871.db2.gz NPFNFMSYEGNLJL-FQEVSTJZSA-N 1 3 458.528 4.817 20 0 JJADHO O=C(c1ccc(NC2=NCCC2)cc1)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001444864653 1066514879 /nfs/dbraw/zinc/51/48/79/1066514879.db2.gz NPFNFMSYEGNLJL-FQEVSTJZSA-N 1 3 458.528 4.817 20 0 JJADHO Cc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@H](c2ccsc2)N(C)C)o1 ZINC001361225850 1066564513 /nfs/dbraw/zinc/56/45/13/1066564513.db2.gz OJAMFQRTCRBZGD-OAQYLSRUSA-N 1 3 470.687 4.769 20 0 JJADHO Cc1nnc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001492805131 1066954538 /nfs/dbraw/zinc/95/45/38/1066954538.db2.gz ZVQHAHANNDWRAU-NLFFAJNJSA-N 1 3 456.654 4.509 20 0 JJADHO Cc1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001492805131 1066954545 /nfs/dbraw/zinc/95/45/45/1066954545.db2.gz ZVQHAHANNDWRAU-NLFFAJNJSA-N 1 3 456.654 4.509 20 0 JJADHO CC[C@@H](c1nnc(N2CCN(CC(C)C)CC2)n1CCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC001545758651 1067039001 /nfs/dbraw/zinc/03/90/01/1067039001.db2.gz KTLSSVVVLGSHHV-AOYPEHQESA-N 1 3 466.718 4.863 20 0 JJADHO CC[C@@H](c1nnc(N2CCN(CC(C)C)CC2)n1CCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC001545758651 1067039016 /nfs/dbraw/zinc/03/90/16/1067039016.db2.gz KTLSSVVVLGSHHV-AOYPEHQESA-N 1 3 466.718 4.863 20 0 JJADHO CCC(CC)[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(C)(C)C)CC1)[NH+](C)C ZINC001545804720 1067116315 /nfs/dbraw/zinc/11/63/15/1067116315.db2.gz ADUFVRQKOZBSTP-QFIPXVFZSA-N 1 3 492.659 4.833 20 0 JJADHO CC(C)([C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1)N1CCCC1 ZINC001458835090 1067163676 /nfs/dbraw/zinc/16/36/76/1067163676.db2.gz JCFPBMIHUMAPQJ-RCZVLFRGSA-N 1 3 455.593 4.909 20 0 JJADHO CC(C)([C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1)N1CCCC1 ZINC001458835090 1067163679 /nfs/dbraw/zinc/16/36/79/1067163679.db2.gz JCFPBMIHUMAPQJ-RCZVLFRGSA-N 1 3 455.593 4.909 20 0 JJADHO CN(Cc1ccccc1)C[C@H](C[NH2+][C@H](CO)c1ccc(Br)cc1)c1ccccc1 ZINC001460184439 1067573689 /nfs/dbraw/zinc/57/36/89/1067573689.db2.gz XVJXWNVQCBCEPW-UKILVPOCSA-N 1 3 453.424 4.988 20 0 JJADHO Cc1nc(C2CC[NH+]([C@H](C)C(=O)Nc3ccc(NC(=O)c4cccs4)cc3)CC2)[nH]c1C ZINC001460784564 1067722934 /nfs/dbraw/zinc/72/29/34/1067722934.db2.gz FXVSMPHVAFXQLU-QGZVFWFLSA-N 1 3 451.596 4.547 20 0 JJADHO Cc1ccc(-c2ncc(CNCc3cc(C(F)(F)F)ccc3N3CC[NH+](C)CC3)s2)o1 ZINC001461222439 1067803005 /nfs/dbraw/zinc/80/30/05/1067803005.db2.gz MRHRPNPMMDWPBX-UHFFFAOYSA-N 1 3 450.530 4.772 20 0 JJADHO Cc1nn(-c2cccc(Br)c2)cc1CNC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC001461373268 1067841067 /nfs/dbraw/zinc/84/10/67/1067841067.db2.gz QSOZCJKBSXEWSR-SFHVURJKSA-N 1 3 454.416 4.653 20 0 JJADHO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]CCc1ccc(N2CCN(C)CC2)cc1 ZINC001461831482 1067943308 /nfs/dbraw/zinc/94/33/08/1067943308.db2.gz FYFHUOGCNGLLIE-UHFFFAOYSA-N 1 3 452.046 4.535 20 0 JJADHO CN(C)CCC[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000010435614 555710034 /nfs/dbraw/zinc/71/00/34/555710034.db2.gz HWZRYYUWBPCDHT-UHFFFAOYSA-N 1 3 456.222 4.832 20 0 JJADHO CC(C)Cc1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1C[C@H](c1cccs1)N(C)C ZINC001359860605 1064549506 /nfs/dbraw/zinc/54/95/06/1064549506.db2.gz JUORPPXDXRYIKB-JOCHJYFZSA-N 1 3 458.720 4.543 20 0 JJADHO CC(C)CC[NH+]1CCC(Cn2c(CC3CCCC3)nnc2N2CCN(CC(C)C)CC2)CC1 ZINC001359948982 1064701683 /nfs/dbraw/zinc/70/16/83/1064701683.db2.gz UYIAHXSKBRRLLY-UHFFFAOYSA-N 1 3 458.739 4.547 20 0 JJADHO CCC[N@H+](Cc1ccccc1)Cc1ccc(NC(=O)[C@@H]2CCN(C)C[C@@H]2c2cnn(C)c2)cc1 ZINC001437229841 1065523550 /nfs/dbraw/zinc/52/35/50/1065523550.db2.gz ZZLQAKGABXLFMK-KAYWLYCHSA-N 1 3 459.638 4.506 20 0 JJADHO CCC[N@@H+](Cc1ccccc1)Cc1ccc(NC(=O)[C@@H]2CCN(C)C[C@@H]2c2cnn(C)c2)cc1 ZINC001437229841 1065523563 /nfs/dbraw/zinc/52/35/63/1065523563.db2.gz ZZLQAKGABXLFMK-KAYWLYCHSA-N 1 3 459.638 4.506 20 0 JJADHO C[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001360586935 1065587924 /nfs/dbraw/zinc/58/79/24/1065587924.db2.gz IZVRYUHQVOQEHJ-SFHVURJKSA-N 1 3 477.122 4.627 20 0 JJADHO C[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001360586935 1065587932 /nfs/dbraw/zinc/58/79/32/1065587932.db2.gz IZVRYUHQVOQEHJ-SFHVURJKSA-N 1 3 477.122 4.627 20 0 JJADHO C[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(CCC(C)(C)C)CC1)[NH+](C)C ZINC001360588277 1065591838 /nfs/dbraw/zinc/59/18/38/1065591838.db2.gz TYIPCBYJYVZTGL-IBGZPJMESA-N 1 3 479.138 4.732 20 0 JJADHO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(C(C)(C)C)CC2)n1CC[NH+]1CCCCCC1 ZINC001360759942 1065830518 /nfs/dbraw/zinc/83/05/18/1065830518.db2.gz DZDRKHCVZTVOHX-NRFANRHFSA-N 1 3 489.108 4.868 20 0 JJADHO CN(C)[C@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)Cc1ccccc1 ZINC001440676764 1065963303 /nfs/dbraw/zinc/96/33/03/1065963303.db2.gz PKDPJQUJXUYVGP-HZFUHODCSA-N 1 3 476.064 4.845 20 0 JJADHO CN(C)[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)Cc1ccccc1 ZINC001440676764 1065963312 /nfs/dbraw/zinc/96/33/12/1065963312.db2.gz PKDPJQUJXUYVGP-HZFUHODCSA-N 1 3 476.064 4.845 20 0 JJADHO CCCN1CCN(c2ccc(NC(=O)[C@H]3CCCC[N@@H+]3Cc3ccccc3)cc2Cl)CC1 ZINC001442246416 1066107898 /nfs/dbraw/zinc/10/78/98/1066107898.db2.gz OKGOVBRFTZYNEV-RUZDIDTESA-N 1 3 455.046 4.865 20 0 JJADHO CCCN1CCN(c2ccc(NC(=O)[C@H]3CCCC[N@H+]3Cc3ccccc3)cc2Cl)CC1 ZINC001442246416 1066107902 /nfs/dbraw/zinc/10/79/02/1066107902.db2.gz OKGOVBRFTZYNEV-RUZDIDTESA-N 1 3 455.046 4.865 20 0 JJADHO CCCN(C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001442865199 1066233086 /nfs/dbraw/zinc/23/30/86/1066233086.db2.gz BNVQRQFTIXBAJR-AHKZPQOWSA-N 1 3 451.630 4.941 20 0 JJADHO CCCN(C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001442865199 1066233097 /nfs/dbraw/zinc/23/30/97/1066233097.db2.gz BNVQRQFTIXBAJR-AHKZPQOWSA-N 1 3 451.630 4.941 20 0 JJADHO Cc1ccc(C)c(OCc2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC001361159893 1066465256 /nfs/dbraw/zinc/46/52/56/1066465256.db2.gz NRTATXXKWXQYLJ-DEOSSOPVSA-N 1 3 482.717 4.515 20 0 JJADHO C[C@@H]1C[C@H](NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001457241316 1066796949 /nfs/dbraw/zinc/79/69/49/1066796949.db2.gz UQSKOFDCIZPBIX-QFZRFWILSA-N 1 3 459.556 4.610 20 0 JJADHO C[C@@H]1C[C@H](NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001457241316 1066796960 /nfs/dbraw/zinc/79/69/60/1066796960.db2.gz UQSKOFDCIZPBIX-QFZRFWILSA-N 1 3 459.556 4.610 20 0 JJADHO CC[C@H](Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CCC(C)(C)C)CC1)[NH+]1CCCC1 ZINC001546010049 1066964877 /nfs/dbraw/zinc/96/48/77/1066964877.db2.gz DQADFLDJYWOKJO-RUZDIDTESA-N 1 3 496.744 4.907 20 0 JJADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@@H](C)c3ccc(Cl)c4ccccc43)cc2)CC1 ZINC001459996355 1067519493 /nfs/dbraw/zinc/51/94/93/1067519493.db2.gz OMUPMJZCEZUNHJ-IBGZPJMESA-N 1 3 451.014 4.924 20 0 JJADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001461986574 1067975569 /nfs/dbraw/zinc/97/55/69/1067975569.db2.gz DFQPIXMWPRIMDF-VOFXCDAESA-N 1 3 456.030 4.956 20 0 JJADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)cc1 ZINC001464166006 1068640237 /nfs/dbraw/zinc/64/02/37/1068640237.db2.gz AEECZXYHZVANAV-PXDATVDWSA-N 1 3 455.593 4.835 20 0 JJADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)cc1 ZINC001464166006 1068640242 /nfs/dbraw/zinc/64/02/42/1068640242.db2.gz AEECZXYHZVANAV-PXDATVDWSA-N 1 3 455.593 4.835 20 0 JJADHO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(N3CCCC3)cc3ccccc31)CC2 ZINC001164787186 721468016 /nfs/dbraw/zinc/46/80/16/721468016.db2.gz DELFQMWCLJNOEL-RUZDIDTESA-N 1 3 478.681 4.569 20 0 JJADHO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(N3CCCC3)cc3ccccc31)CC2 ZINC001164787186 721468019 /nfs/dbraw/zinc/46/80/19/721468019.db2.gz DELFQMWCLJNOEL-RUZDIDTESA-N 1 3 478.681 4.569 20 0 JJADHO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(N3CCCC3)cc3ccccc31)CC2 ZINC001164787188 721468198 /nfs/dbraw/zinc/46/81/98/721468198.db2.gz DELFQMWCLJNOEL-VWLOTQADSA-N 1 3 478.681 4.569 20 0 JJADHO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(N3CCCC3)cc3ccccc31)CC2 ZINC001164787188 721468199 /nfs/dbraw/zinc/46/81/99/721468199.db2.gz DELFQMWCLJNOEL-VWLOTQADSA-N 1 3 478.681 4.569 20 0 JJADHO CC(C)C[C@@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCCC2)CC1)[NH+](C)C ZINC001359765073 1064386120 /nfs/dbraw/zinc/38/61/20/1064386120.db2.gz PHTNNNFPUZAMPQ-GMAHTHKFSA-N 1 3 486.680 4.598 20 0 JJADHO CC(C)CN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001360017750 1064818437 /nfs/dbraw/zinc/81/84/37/1064818437.db2.gz JCJWIRYTOUBZCE-UHFFFAOYSA-N 1 3 490.643 4.589 20 0 JJADHO CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001360018497 1064820318 /nfs/dbraw/zinc/82/03/18/1064820318.db2.gz QPCBBTIUIQXFKI-UHFFFAOYSA-N 1 3 477.072 4.780 20 0 JJADHO CC(C)[NH+](CCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(C)(C)C)CC1)C(C)C ZINC001360123397 1065014168 /nfs/dbraw/zinc/01/41/68/1065014168.db2.gz HDGVTYFFXFMNEO-UHFFFAOYSA-N 1 3 492.716 4.765 20 0 JJADHO CC(C)[NH2+]C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001360308752 1065144601 /nfs/dbraw/zinc/14/46/01/1065144601.db2.gz LXACUQYBXKRFDB-QFIPXVFZSA-N 1 3 487.117 4.854 20 0 JJADHO CCC[N@H+](Cc1ccccc1)Cc1ccc(NC(=O)[C@H]2CCN(C)C[C@@H]2c2cnn(C)c2)cc1 ZINC001437229843 1065524037 /nfs/dbraw/zinc/52/40/37/1065524037.db2.gz ZZLQAKGABXLFMK-RRPNLBNLSA-N 1 3 459.638 4.506 20 0 JJADHO CCC[N@@H+](Cc1ccccc1)Cc1ccc(NC(=O)[C@H]2CCN(C)C[C@@H]2c2cnn(C)c2)cc1 ZINC001437229843 1065524051 /nfs/dbraw/zinc/52/40/51/1065524051.db2.gz ZZLQAKGABXLFMK-RRPNLBNLSA-N 1 3 459.638 4.506 20 0 JJADHO C[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(CCC(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001360773473 1065871756 /nfs/dbraw/zinc/87/17/56/1065871756.db2.gz IUMCULCHMHILNL-NHCUHLMSSA-N 1 3 486.680 4.598 20 0 JJADHO C[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(CCC(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001360773473 1065871767 /nfs/dbraw/zinc/87/17/67/1065871767.db2.gz IUMCULCHMHILNL-NHCUHLMSSA-N 1 3 486.680 4.598 20 0 JJADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](c3ccc(C(C)(C)C)cc3)C(F)(F)F)CC2)CC1 ZINC001442234460 1066105923 /nfs/dbraw/zinc/10/59/23/1066105923.db2.gz SEWXPEZOYDYJPQ-QFIPXVFZSA-N 1 3 453.593 4.900 20 0 JJADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H](Sc3ccccc3Cl)c3ccccc3)CC2)CC1 ZINC001442659382 1066148169 /nfs/dbraw/zinc/14/81/69/1066148169.db2.gz CODNWLLQCNGVRC-DEOSSOPVSA-N 1 3 458.071 4.848 20 0 JJADHO Cc1ccc(C)c(OCc2nnc(N3CCN(C4CCCCC4)CC3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001361159596 1066464401 /nfs/dbraw/zinc/46/44/01/1066464401.db2.gz DCODRMMYUBNGPR-UHFFFAOYSA-N 1 3 482.717 4.659 20 0 JJADHO Cc1ccc(C)c(OCc2nnc(N3CCN(C4CCCCC4)CC3)n2CCC[N@H+](C)C(C)C)c1 ZINC001361159596 1066464412 /nfs/dbraw/zinc/46/44/12/1066464412.db2.gz DCODRMMYUBNGPR-UHFFFAOYSA-N 1 3 482.717 4.659 20 0 JJADHO CCc1ccc([C@H](CNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)[NH+](CC)CC)cc1 ZINC001450482485 1067084595 /nfs/dbraw/zinc/08/45/95/1067084595.db2.gz LJQXDHJMAVEFML-RPBOFIJWSA-N 1 3 457.609 4.906 20 0 JJADHO C[C@]1(Cc2ccccc2Cl)CCCN1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001460403366 1067627336 /nfs/dbraw/zinc/62/73/36/1067627336.db2.gz DJBVGVXPVUHRJM-RUZDIDTESA-N 1 3 458.071 4.925 20 0 JJADHO Fc1ccc(CNCCC2CC[NH+](Cc3ccccc3)CC2)c(I)c1 ZINC001461669437 1067914258 /nfs/dbraw/zinc/91/42/58/1067914258.db2.gz DFSBYDTXBWWIFT-UHFFFAOYSA-N 1 3 452.355 4.822 20 0 JJADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001461986562 1067975281 /nfs/dbraw/zinc/97/52/81/1067975281.db2.gz DFQPIXMWPRIMDF-NEKRIBJYSA-N 1 3 456.030 4.956 20 0 JJADHO COc1ccc(C[C@@](C)(O)C[NH2+]C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)cc1OC ZINC001462312011 1068049407 /nfs/dbraw/zinc/04/94/07/1068049407.db2.gz ZFHKUWUZEHKJIS-VSGBNLITSA-N 1 3 454.655 4.525 20 0 JJADHO O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCCCC34CC[NH2+]CC4)c21 ZINC001164421119 718910959 /nfs/dbraw/zinc/91/09/59/718910959.db2.gz PEOOBQRKRNKMRV-UHFFFAOYSA-N 1 3 481.040 4.509 20 0 JJADHO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc1 ZINC001164963722 722061896 /nfs/dbraw/zinc/06/18/96/722061896.db2.gz CKFHCRSEBUMASD-AREMUKBSSA-N 1 3 463.670 4.533 20 0 JJADHO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc1 ZINC001164963722 722061899 /nfs/dbraw/zinc/06/18/99/722061899.db2.gz CKFHCRSEBUMASD-AREMUKBSSA-N 1 3 463.670 4.533 20 0 JJADHO CC(C)CC[NH+]1CCC(Cn2c([C@H]3CCCCO3)nnc2N2CCN(CCC(C)(C)C)CC2)CC1 ZINC001359948021 1064699191 /nfs/dbraw/zinc/69/91/91/1064699191.db2.gz HUFKVLORYOPMKM-RUZDIDTESA-N 1 3 488.765 4.836 20 0 JJADHO CC(C)CC[NH+]1CCC(Cn2c(Cc3ccc(F)cc3)nnc2N2CCN(C(C)(C)C)CC2)CC1 ZINC001359948260 1064699269 /nfs/dbraw/zinc/69/92/69/1064699269.db2.gz LEOJKJCCRSHOKY-UHFFFAOYSA-N 1 3 484.708 4.687 20 0 JJADHO CC(C)[N@H+](C)CCCn1c(-c2cccc(Br)c2)nnc1N1CCN(C2CCCC2)CC1 ZINC001360097236 1064973089 /nfs/dbraw/zinc/97/30/89/1064973089.db2.gz AKAVHIRIRSWSGJ-UHFFFAOYSA-N 1 3 489.506 4.503 20 0 JJADHO CC(C)[N@@H+](C)CCCn1c(-c2cccc(Br)c2)nnc1N1CCN(C2CCCC2)CC1 ZINC001360097236 1064973100 /nfs/dbraw/zinc/97/31/00/1064973100.db2.gz AKAVHIRIRSWSGJ-UHFFFAOYSA-N 1 3 489.506 4.503 20 0 JJADHO C[C@H](CCn1c([C@H]2CCCO2)nnc1N1CCN(CCC(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC001360514159 1065465278 /nfs/dbraw/zinc/46/52/78/1065465278.db2.gz OMWJQXPQENCNKB-ILBGXUMGSA-N 1 3 482.717 4.598 20 0 JJADHO C[C@H](CCn1c([C@H]2CCCO2)nnc1N1CCN(CCC(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC001360514159 1065465285 /nfs/dbraw/zinc/46/52/85/1065465285.db2.gz OMWJQXPQENCNKB-ILBGXUMGSA-N 1 3 482.717 4.598 20 0 JJADHO Cc1ccc([C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C(C)(C)C)CC2)[NH+]2CCCC2)cc1 ZINC001361139914 1066416460 /nfs/dbraw/zinc/41/64/60/1066416460.db2.gz RLVXBEQZDBIAAR-DEOSSOPVSA-N 1 3 466.718 4.933 20 0 JJADHO Cc1ccc([C@H](Cn2c(CC(C)C)nnc2N2CCN(C(C)(C)C)CC2)[NH+]2CCCC2)cc1 ZINC001361140476 1066417844 /nfs/dbraw/zinc/41/78/44/1066417844.db2.gz BURRZUWNMKYWDC-DEOSSOPVSA-N 1 3 452.691 4.543 20 0 JJADHO Cc1ccc(C)c(OCc2nnc(N3CCN(CCC(C)(C)C)CC3)n2CC[N@@H+](C)C2CCCC2)c1 ZINC001361162008 1066468476 /nfs/dbraw/zinc/46/84/76/1066468476.db2.gz FPYTXIMARFVBMD-UHFFFAOYSA-N 1 3 496.744 4.907 20 0 JJADHO Cc1ccc(C)c(OCc2nnc(N3CCN(CCC(C)(C)C)CC3)n2CC[N@H+](C)C2CCCC2)c1 ZINC001361162008 1066468482 /nfs/dbraw/zinc/46/84/82/1066468482.db2.gz FPYTXIMARFVBMD-UHFFFAOYSA-N 1 3 496.744 4.907 20 0 JJADHO Cc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CCCCCCC[NH+]2CCCC2)o1 ZINC001361221008 1066558935 /nfs/dbraw/zinc/55/89/35/1066558935.db2.gz LIPPSZCQHLBSGL-UHFFFAOYSA-N 1 3 456.679 4.813 20 0 JJADHO CCC(CC)[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(C)(C)C)CC1)[NH+](C)C ZINC001545804719 1067116291 /nfs/dbraw/zinc/11/62/91/1067116291.db2.gz ADUFVRQKOZBSTP-JOCHJYFZSA-N 1 3 492.659 4.833 20 0 JJADHO CCC(CC)[C@H](Cn1c(-c2cccc3cccnc32)nnc1N1CCN(C(C)(C)C)CC1)[NH+](C)C ZINC001545807697 1067127534 /nfs/dbraw/zinc/12/75/34/1067127534.db2.gz MSCFFOFMHRVVDH-DEOSSOPVSA-N 1 3 477.701 4.780 20 0 JJADHO CCC(CC)[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(C)(C)C)CC1)[NH+](C)C ZINC001545817118 1067146441 /nfs/dbraw/zinc/14/64/41/1067146441.db2.gz FBZWBRATYCTIDJ-QHCPKHFHSA-N 1 3 475.125 4.809 20 0 JJADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@@H](C)C(c3ccccc3)c3ccccc3)cc2)CC1 ZINC001459923113 1067493281 /nfs/dbraw/zinc/49/32/81/1067493281.db2.gz GZWYHGMDTKYIJC-QHCPKHFHSA-N 1 3 456.634 4.577 20 0 JJADHO CCc1ccc([C@H](NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)c2cccc(F)c2)cc1 ZINC001464015248 1068589496 /nfs/dbraw/zinc/58/94/96/1068589496.db2.gz IXQCRMRTYYQQLY-MHZLTWQESA-N 1 3 451.630 4.790 20 0 JJADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)cc1 ZINC001464165994 1068640340 /nfs/dbraw/zinc/64/03/40/1068640340.db2.gz AEECZXYHZVANAV-BWKNWUBXSA-N 1 3 455.593 4.835 20 0 JJADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)cc1 ZINC001464165994 1068640347 /nfs/dbraw/zinc/64/03/47/1068640347.db2.gz AEECZXYHZVANAV-BWKNWUBXSA-N 1 3 455.593 4.835 20 0 JJADHO c1cn(Cc2ccccc2)c2cc[nH+]c(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c12 ZINC001164964074 722057255 /nfs/dbraw/zinc/05/72/55/722057255.db2.gz RFQDOIKGMLEELL-UHFFFAOYSA-N 1 3 467.617 4.599 20 0 JJADHO CC(C)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001359720619 1064268083 /nfs/dbraw/zinc/26/80/83/1064268083.db2.gz YOWISNJMQRIKAX-UHFFFAOYSA-N 1 3 466.718 4.994 20 0 JJADHO CC(C)Cc1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001359848717 1064534197 /nfs/dbraw/zinc/53/41/97/1064534197.db2.gz BLCMSKRNSKHNPE-RUZDIDTESA-N 1 3 466.718 4.699 20 0 JJADHO CC(C)Cc1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001359848717 1064534208 /nfs/dbraw/zinc/53/42/08/1064534208.db2.gz BLCMSKRNSKHNPE-RUZDIDTESA-N 1 3 466.718 4.699 20 0 JJADHO CC(C)CN1CCN(c2nnc(CC(C)(C)C)n2CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001360028199 1064830313 /nfs/dbraw/zinc/83/03/13/1064830313.db2.gz YRFVRXFXJMWQOR-RSXGOPAZSA-N 1 3 480.745 4.945 20 0 JJADHO CC(C)CN1CCN(c2nnc(CC(C)(C)C)n2CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001360028199 1064830326 /nfs/dbraw/zinc/83/03/26/1064830326.db2.gz YRFVRXFXJMWQOR-RSXGOPAZSA-N 1 3 480.745 4.945 20 0 JJADHO CC(C)CN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCC[NH+]2CCCCC2)CC1 ZINC001360033463 1064836145 /nfs/dbraw/zinc/83/61/45/1064836145.db2.gz ALKNLFZSVJNJRS-UHFFFAOYSA-N 1 3 496.744 4.809 20 0 JJADHO CC(C)[NH+](CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(C)(C)C)CC1)C(C)C ZINC001360126695 1065020752 /nfs/dbraw/zinc/02/07/52/1065020752.db2.gz VVNMFCJJDWAVSA-DHIUTWEWSA-N 1 3 476.754 4.626 20 0 JJADHO C[C@H](CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001360511165 1065456381 /nfs/dbraw/zinc/45/63/81/1065456381.db2.gz ULWWPEFHZURBHQ-OAQYLSRUSA-N 1 3 489.108 4.696 20 0 JJADHO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(C(C)(C)C)CC2)n1CC[NH+]1CCCCCC1 ZINC001360759943 1065830583 /nfs/dbraw/zinc/83/05/83/1065830583.db2.gz DZDRKHCVZTVOHX-OAQYLSRUSA-N 1 3 489.108 4.868 20 0 JJADHO CCc1ccc([C@@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)N(C)C)cc1 ZINC001440672058 1065961807 /nfs/dbraw/zinc/96/18/07/1065961807.db2.gz LLFWBRNAAKHASJ-TWJOJJKGSA-N 1 3 461.675 4.945 20 0 JJADHO CCc1ccc([C@@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)N(C)C)cc1 ZINC001440672058 1065961817 /nfs/dbraw/zinc/96/18/17/1065961817.db2.gz LLFWBRNAAKHASJ-TWJOJJKGSA-N 1 3 461.675 4.945 20 0 JJADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@]3(C)Cc3ccc(Cl)c(F)c3)CC2)CC1 ZINC001454791301 1066334023 /nfs/dbraw/zinc/33/40/23/1066334023.db2.gz PRYGBVSHGNONSB-VWLOTQADSA-N 1 3 450.042 4.599 20 0 JJADHO CC[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)N(CC)C[C@H]1C)[NH+]1CCCC1 ZINC001545964221 1066403317 /nfs/dbraw/zinc/40/33/17/1066403317.db2.gz ABOFRHNDMFJTTD-NLWGTHIKSA-N 1 3 463.045 4.531 20 0 JJADHO CC[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C)[NH+]1CCCC1 ZINC001545964223 1066403464 /nfs/dbraw/zinc/40/34/64/1066403464.db2.gz ABOFRHNDMFJTTD-WSTZPKSXSA-N 1 3 463.045 4.531 20 0 JJADHO CC[NH+]1CCC(N2CCC(C(=O)NCCSCc3ccc(Cl)cc3Cl)CC2)CC1 ZINC001446877213 1066751854 /nfs/dbraw/zinc/75/18/54/1066751854.db2.gz BKWANFZAOYPCOP-UHFFFAOYSA-N 1 3 458.499 4.539 20 0 JJADHO C[C@@H]1C[C@@H](NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001457241315 1066797047 /nfs/dbraw/zinc/79/70/47/1066797047.db2.gz UQSKOFDCIZPBIX-PBXXJUDPSA-N 1 3 459.556 4.610 20 0 JJADHO C[C@@H]1C[C@@H](NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001457241315 1066797059 /nfs/dbraw/zinc/79/70/59/1066797059.db2.gz UQSKOFDCIZPBIX-PBXXJUDPSA-N 1 3 459.556 4.610 20 0 JJADHO CCc1ccc([C@@H](CNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)[NH+](CC)CC)cc1 ZINC001450482478 1067084681 /nfs/dbraw/zinc/08/46/81/1067084681.db2.gz LJQXDHJMAVEFML-LOSJGSFVSA-N 1 3 457.609 4.906 20 0 JJADHO CCc1ccc([C@@H](CNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)[NH+](CC)CC)cc1 ZINC001450482469 1067084854 /nfs/dbraw/zinc/08/48/54/1067084854.db2.gz LJQXDHJMAVEFML-JWQCQUIFSA-N 1 3 457.609 4.906 20 0 JJADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)N(C)C)cc1 ZINC001464548078 1068778525 /nfs/dbraw/zinc/77/85/25/1068778525.db2.gz VMFRBTHDPTWESB-ZGIBFIJWSA-N 1 3 455.646 4.938 20 0 JJADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)N(C)C)cc1 ZINC001464548078 1068778531 /nfs/dbraw/zinc/77/85/31/1068778531.db2.gz VMFRBTHDPTWESB-ZGIBFIJWSA-N 1 3 455.646 4.938 20 0 JJADHO CC(C)Cc1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1C[C@@H](c1cccs1)N(C)C ZINC001359860607 1064549612 /nfs/dbraw/zinc/54/96/12/1064549612.db2.gz JUORPPXDXRYIKB-QFIPXVFZSA-N 1 3 458.720 4.543 20 0 JJADHO CC(C)CC[NH+]1CCC(Cn2c([C@@H]3CCCCO3)nnc2N2CCN(CCC(C)(C)C)CC2)CC1 ZINC001359948022 1064699314 /nfs/dbraw/zinc/69/93/14/1064699314.db2.gz HUFKVLORYOPMKM-VWLOTQADSA-N 1 3 488.765 4.836 20 0 JJADHO CC(C)CCOc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001359955022 1064722750 /nfs/dbraw/zinc/72/27/50/1064722750.db2.gz PMFZXHWKHJLBNB-UHFFFAOYSA-N 1 3 484.733 4.878 20 0 JJADHO CC(C)CN1CCN(c2nnc(CC(C)(C)C)n2CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001360028198 1064830228 /nfs/dbraw/zinc/83/02/28/1064830228.db2.gz YRFVRXFXJMWQOR-AZGAKELHSA-N 1 3 480.745 4.945 20 0 JJADHO CC(C)CN1CCN(c2nnc(CC(C)(C)C)n2CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001360028198 1064830239 /nfs/dbraw/zinc/83/02/39/1064830239.db2.gz YRFVRXFXJMWQOR-AZGAKELHSA-N 1 3 480.745 4.945 20 0 JJADHO CC(C)CN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001360030531 1064832617 /nfs/dbraw/zinc/83/26/17/1064832617.db2.gz LHHICZYCJZBXQD-JOCHJYFZSA-N 1 3 488.671 4.580 20 0 JJADHO CC(C)CN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001360030531 1064832630 /nfs/dbraw/zinc/83/26/30/1064832630.db2.gz LHHICZYCJZBXQD-JOCHJYFZSA-N 1 3 488.671 4.580 20 0 JJADHO CC(C)[NH+](CCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(C)(C)C)CC1)C(C)C ZINC001360128966 1065024179 /nfs/dbraw/zinc/02/41/79/1065024179.db2.gz QGDBBNPWEOIJBB-UHFFFAOYSA-N 1 3 463.674 4.533 20 0 JJADHO C[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001360583909 1065583016 /nfs/dbraw/zinc/58/30/16/1065583016.db2.gz NCLPPEQVBDRGJT-NRFANRHFSA-N 1 3 482.717 4.558 20 0 JJADHO C[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001360583909 1065583023 /nfs/dbraw/zinc/58/30/23/1065583023.db2.gz NCLPPEQVBDRGJT-NRFANRHFSA-N 1 3 482.717 4.558 20 0 JJADHO CC(C)[N@H+](C)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C2CCCCC2)CC1 ZINC001360761103 1065836305 /nfs/dbraw/zinc/83/63/05/1065836305.db2.gz YXKSLEUZDAKKMY-OAQYLSRUSA-N 1 3 489.108 4.866 20 0 JJADHO CC(C)[N@@H+](C)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C2CCCCC2)CC1 ZINC001360761103 1065836320 /nfs/dbraw/zinc/83/63/20/1065836320.db2.gz YXKSLEUZDAKKMY-OAQYLSRUSA-N 1 3 489.108 4.866 20 0 JJADHO CC(C)[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(C)(C)C)CC1)[NH+]1CCCC1 ZINC001360774848 1065875413 /nfs/dbraw/zinc/87/54/13/1065875413.db2.gz URTCSFFGFWMPMA-GGAORHGYSA-N 1 3 486.680 4.598 20 0 JJADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@]3(C)Cc3ccc(Cl)c(F)c3)CC2)CC1 ZINC001454791283 1066334146 /nfs/dbraw/zinc/33/41/46/1066334146.db2.gz PRYGBVSHGNONSB-RUZDIDTESA-N 1 3 450.042 4.599 20 0 JJADHO Cc1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001492805130 1066954426 /nfs/dbraw/zinc/95/44/26/1066954426.db2.gz ZVQHAHANNDWRAU-NBGIEHNGSA-N 1 3 456.654 4.509 20 0 JJADHO Cc1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001492805130 1066954432 /nfs/dbraw/zinc/95/44/32/1066954432.db2.gz ZVQHAHANNDWRAU-NBGIEHNGSA-N 1 3 456.654 4.509 20 0 JJADHO CC[C@@H](c1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1CC(C)(C)[NH+]1CCC(OC)CC1)c1ccccc1 ZINC001545730632 1066988513 /nfs/dbraw/zinc/98/85/13/1066988513.db2.gz CUTATAQXPVNIKJ-JQYIIUTOSA-N 1 3 496.744 4.628 20 0 JJADHO CC[C@@H](c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1C[C@@H](CC(C)C)[NH+](C)C)c1ccccc1 ZINC001545732249 1066993546 /nfs/dbraw/zinc/99/35/46/1066993546.db2.gz ZMMNUMNKHMKQMW-ZCAIMPEWSA-N 1 3 454.707 4.715 20 0 JJADHO CC[C@H](c1nnc(N2CCN(C(C)(C)C)CC2)n1CC1(SC)CC[NH+](C)CC1)c1ccccc1 ZINC001545756396 1067033559 /nfs/dbraw/zinc/03/35/59/1067033559.db2.gz HCWCNGVMYZRBSN-QHCPKHFHSA-N 1 3 484.758 4.568 20 0 JJADHO CC(C)([C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1)N1CCCC1 ZINC001458835094 1067163652 /nfs/dbraw/zinc/16/36/52/1067163652.db2.gz JCFPBMIHUMAPQJ-WIOPSUGQSA-N 1 3 455.593 4.909 20 0 JJADHO CC(C)([C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1)N1CCCC1 ZINC001458835094 1067163657 /nfs/dbraw/zinc/16/36/57/1067163657.db2.gz JCFPBMIHUMAPQJ-WIOPSUGQSA-N 1 3 455.593 4.909 20 0 JJADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(Nc4cccc(SC)c4)cn3)CC2)CC1 ZINC001452985164 1067270628 /nfs/dbraw/zinc/27/06/28/1067270628.db2.gz CJPLVKYTYRYEEK-UHFFFAOYSA-N 1 3 453.656 4.682 20 0 JJADHO C[C@@]1(Cc2ccccc2Cl)CCCN1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001460403373 1067627255 /nfs/dbraw/zinc/62/72/55/1067627255.db2.gz DJBVGVXPVUHRJM-VWLOTQADSA-N 1 3 458.071 4.925 20 0 JJADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNCc2ccc(CN(C)C)c3c2OC(F)(F)O3)C1 ZINC001461048526 1067769283 /nfs/dbraw/zinc/76/92/83/1067769283.db2.gz KTFNTCXKKBAXAK-KDURUIRLSA-N 1 3 459.581 4.837 20 0 JJADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNCc2ccc(CN(C)C)c3c2OC(F)(F)O3)C1 ZINC001461048526 1067769285 /nfs/dbraw/zinc/76/92/85/1067769285.db2.gz KTFNTCXKKBAXAK-KDURUIRLSA-N 1 3 459.581 4.837 20 0 JJADHO COC(=O)c1cc2c(o1)c(OC)ccc2CNCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001461051649 1067769952 /nfs/dbraw/zinc/76/99/52/1067769952.db2.gz YWYGGFYSEABCIF-RTBURBONSA-N 1 3 450.579 4.996 20 0 JJADHO Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2CNC2CC[NH+](CCOC(C)C)CC2)cc1 ZINC001461275996 1067816308 /nfs/dbraw/zinc/81/63/08/1067816308.db2.gz PFHDRFPVBGYHFQ-UHFFFAOYSA-N 1 3 450.602 4.966 20 0 JJADHO C[NH+]1CCC(N2CCC(NC(=O)C3(c4ccc(Cl)cc4Cl)CCCCC3)CC2)CC1 ZINC001464610799 1068798812 /nfs/dbraw/zinc/79/88/12/1068798812.db2.gz QXJVNFMMRAHCAQ-UHFFFAOYSA-N 1 3 452.470 4.870 20 0 JJADHO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164913805 721734092 /nfs/dbraw/zinc/73/40/92/721734092.db2.gz XYJGWNNNEDCRHG-ILBGXUMGSA-N 1 3 455.597 4.761 20 0 JJADHO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164913805 721734095 /nfs/dbraw/zinc/73/40/95/721734095.db2.gz XYJGWNNNEDCRHG-ILBGXUMGSA-N 1 3 455.597 4.761 20 0 JJADHO