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(Cc2ccc(F)cc2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1)[NH+](C)C ZINC001359771449 1064405235 /nfs/dbraw/zinc/40/52/35/1064405235.db2.gz XNOIRMSDNHXPLJ-BWKNWUBXSA-N 2 1 498.716 4.929 20 0 JJADMP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC001434997810 1064412994 /nfs/dbraw/zinc/41/29/94/1064412994.db2.gz SVFIACNGFIXQCM-FYYLOGMGSA-N 2 1 455.046 4.579 20 0 JJADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC001434997810 1064413000 /nfs/dbraw/zinc/41/30/00/1064413000.db2.gz SVFIACNGFIXQCM-FYYLOGMGSA-N 2 1 455.046 4.579 20 0 JJADMP CC(C)Cc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001359832689 1064516647 /nfs/dbraw/zinc/51/66/47/1064516647.db2.gz NOYWETKCAXENMP-DSNGMDLFSA-N 2 1 458.739 4.688 20 0 JJADMP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC001359854411 1064541679 /nfs/dbraw/zinc/54/16/79/1064541679.db2.gz YECIUAXDWOQCHY-UHFFFAOYSA-N 2 1 451.561 4.801 20 0 JJADMP CC(C)Cc1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001359859754 1064547947 /nfs/dbraw/zinc/54/79/47/1064547947.db2.gz DKUILYDZERFCFF-FGZHOGPDSA-N 2 1 472.747 4.617 20 0 JJADMP CC(C)Cc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001359860684 1064550206 /nfs/dbraw/zinc/55/02/06/1064550206.db2.gz KZGQOPPAUTXNMK-NYULUDCUSA-N 2 1 466.718 4.698 20 0 JJADMP CC(C)Cc1nnc(N2CC[NH+](Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001359861316 1064551381 /nfs/dbraw/zinc/55/13/81/1064551381.db2.gz RCFBIMVGLYNSFV-AOYPEHQESA-N 2 1 466.718 4.555 20 0 JJADMP CC(C)Cc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCC[NH+](CC(C)C)C1 ZINC001359861316 1064551392 /nfs/dbraw/zinc/55/13/92/1064551392.db2.gz RCFBIMVGLYNSFV-AOYPEHQESA-N 2 1 466.718 4.555 20 0 JJADMP CC(C)Cc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCC[NH+](CC(C)C)C1 ZINC001359861316 1064551404 /nfs/dbraw/zinc/55/14/04/1064551404.db2.gz RCFBIMVGLYNSFV-AOYPEHQESA-N 2 1 466.718 4.555 20 0 JJADMP CC(C)Cc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@H](c1cccs1)[NH+](C)C ZINC001359861578 1064552973 /nfs/dbraw/zinc/55/29/73/1064552973.db2.gz ZOEDTTLRLHITLK-JTHBVZDNSA-N 2 1 466.699 4.552 20 0 JJADMP CC(C)CC[NH+]1CCC(Cn2c(C3CCC3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC001359949041 1064701595 /nfs/dbraw/zinc/70/15/95/1064701595.db2.gz VWGPCUSNAWPEGO-UHFFFAOYSA-N 2 1 458.739 4.860 20 0 JJADMP CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001360017170 1064816938 /nfs/dbraw/zinc/81/69/38/1064816938.db2.gz AXZXRTVDBVSRLM-NRFANRHFSA-N 2 1 491.099 4.884 20 0 JJADMP CC(C)C[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@@H+](C)C2CCCCC2)CC1 ZINC001360033805 1064836989 /nfs/dbraw/zinc/83/69/89/1064836989.db2.gz LEHSCIIMCDVXQU-JWQCQUIFSA-N 2 1 488.765 4.629 20 0 JJADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001360092582 1064962420 /nfs/dbraw/zinc/96/24/20/1064962420.db2.gz KSBCZWUZKJOTLI-VWLOTQADSA-N 2 1 491.149 4.592 20 0 JJADMP CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001360092689 1064962892 /nfs/dbraw/zinc/96/28/92/1064962892.db2.gz OIXJXRHWSFQSOY-HSZRJFAPSA-N 2 1 496.744 4.520 20 0 JJADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001360092689 1064962902 /nfs/dbraw/zinc/96/29/02/1064962902.db2.gz OIXJXRHWSFQSOY-HSZRJFAPSA-N 2 1 496.744 4.520 20 0 JJADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cccnc3)n2CCCC[NH+]2CCCC[C@@H]2C)CC1 ZINC001360094991 1064967817 /nfs/dbraw/zinc/96/78/17/1064967817.db2.gz SBMWIBHXINUXLY-QHCPKHFHSA-N 2 1 467.706 4.551 20 0 JJADMP CC(C)[NH+](C)CC1CCN(c2nnc(-c3cccnc3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001360094991 1064967828 /nfs/dbraw/zinc/96/78/28/1064967828.db2.gz SBMWIBHXINUXLY-QHCPKHFHSA-N 2 1 467.706 4.551 20 0 JJADMP CC(C)[NH+](C)CC1CCN(c2nnc(-c3cccnc3)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001360094991 1064967841 /nfs/dbraw/zinc/96/78/41/1064967841.db2.gz SBMWIBHXINUXLY-QHCPKHFHSA-N 2 1 467.706 4.551 20 0 JJADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCC[NH+](C(C)C)C2)CC1 ZINC001360096053 1064971862 /nfs/dbraw/zinc/97/18/62/1064971862.db2.gz VVZZJELNMVKXAJ-XMMPIXPASA-N 2 1 472.747 4.607 20 0 JJADMP CC(C)[NH+](C)CC1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001360096053 1064971876 /nfs/dbraw/zinc/97/18/76/1064971876.db2.gz VVZZJELNMVKXAJ-XMMPIXPASA-N 2 1 472.747 4.607 20 0 JJADMP CC(C)[NH+](C)CC1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001360096053 1064971887 /nfs/dbraw/zinc/97/18/87/1064971887.db2.gz VVZZJELNMVKXAJ-XMMPIXPASA-N 2 1 472.747 4.607 20 0 JJADMP CC(C)[N@@H+](C)CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001360097238 1064972936 /nfs/dbraw/zinc/97/29/36/1064972936.db2.gz ALLHSISIOPJXBR-DEOSSOPVSA-N 2 1 496.744 4.522 20 0 JJADMP CC(C)[N@@H+](C)CCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[NH+](C(C)C)CC1 ZINC001360097424 1064974463 /nfs/dbraw/zinc/97/44/63/1064974463.db2.gz HBZPTLUKSCDSPD-UHFFFAOYSA-N 2 1 458.720 4.536 20 0 JJADMP CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3ccccc3Cl)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001360140215 1065037062 /nfs/dbraw/zinc/03/70/62/1065037062.db2.gz ZKJOAMCIKGFAKP-HXUWFJFHSA-N 2 1 459.082 4.639 20 0 JJADMP CC(C)[N@H+]1CCC[C@H](Cn2c(N3CCC[C@@H](C[NH+]4CCCCCC4)C3)nnc2C(C)(C)C)C1 ZINC001360140337 1065037545 /nfs/dbraw/zinc/03/75/45/1065037545.db2.gz BYVDPHZCBRKVIJ-ZEQRLZLVSA-N 2 1 458.739 4.788 20 0 JJADMP CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[NH+]2CCC[C@H]2C)CC1 ZINC001360144113 1065045065 /nfs/dbraw/zinc/04/50/65/1065045065.db2.gz VCUFRXZMWURASD-JOCHJYFZSA-N 2 1 452.691 4.647 20 0 JJADMP CC(C)[NH+]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001360144113 1065045077 /nfs/dbraw/zinc/04/50/77/1065045077.db2.gz VCUFRXZMWURASD-JOCHJYFZSA-N 2 1 452.691 4.647 20 0 JJADMP CC(C)[NH+]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001360144113 1065045087 /nfs/dbraw/zinc/04/50/87/1065045087.db2.gz VCUFRXZMWURASD-JOCHJYFZSA-N 2 1 452.691 4.647 20 0 JJADMP CC(C)[N@H+]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001360146163 1065047834 /nfs/dbraw/zinc/04/78/34/1065047834.db2.gz FVKRRNQXPCJXNQ-UHFFFAOYSA-N 2 1 473.109 4.565 20 0 JJADMP CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001360309322 1065145149 /nfs/dbraw/zinc/14/51/49/1065145149.db2.gz BICNYXZZKZKJEQ-JOCHJYFZSA-N 2 1 482.717 4.606 20 0 JJADMP C[C@H](CCn1c(N2CC[NH+](Cc3ccsc3)CC2)nnc1C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001360513527 1065461071 /nfs/dbraw/zinc/46/10/71/1065461071.db2.gz BNVIWANGYUMWCW-JOCHJYFZSA-N 2 1 480.726 4.870 20 0 JJADMP C[C@H](CCn1c(N2CC[NH+](Cc3ccsc3)CC2)nnc1C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001360513527 1065461078 /nfs/dbraw/zinc/46/10/78/1065461078.db2.gz BNVIWANGYUMWCW-JOCHJYFZSA-N 2 1 480.726 4.870 20 0 JJADMP C[C@@H](CCn1c([C@H]2CCCO2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC001360514160 1065465098 /nfs/dbraw/zinc/46/50/98/1065465098.db2.gz OMWJQXPQENCNKB-UKILVPOCSA-N 2 1 482.717 4.598 20 0 JJADMP C[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001360583910 1065583113 /nfs/dbraw/zinc/58/31/13/1065583113.db2.gz NCLPPEQVBDRGJT-OAQYLSRUSA-N 2 1 482.717 4.558 20 0 JJADMP C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)C[NH+]1CCCC1 ZINC001360592828 1065601719 /nfs/dbraw/zinc/60/17/19/1065601719.db2.gz ACUFVVURBNYWHL-SGNDLWITSA-N 2 1 458.739 4.689 20 0 JJADMP C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001360592596 1065601817 /nfs/dbraw/zinc/60/18/17/1065601817.db2.gz YORYFIGTYJSXDU-FCHUYYIVSA-N 2 1 486.680 4.600 20 0 JJADMP CC(C)[N@H+]1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001360596485 1065609110 /nfs/dbraw/zinc/60/91/10/1065609110.db2.gz BHDWKERUJYYPFY-OAQYLSRUSA-N 2 1 459.082 4.641 20 0 JJADMP C[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC001360598633 1065619106 /nfs/dbraw/zinc/61/91/06/1065619106.db2.gz CHMKUHJGFHMKNO-RSXGOPAZSA-N 2 1 480.745 4.947 20 0 JJADMP CC(C)[NH+](CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@H+]2CCCC[C@H]2C1)C(C)C ZINC001360761173 1065836852 /nfs/dbraw/zinc/83/68/52/1065836852.db2.gz ZVRFWBWOIQEVAU-GGAORHGYSA-N 2 1 489.108 4.865 20 0 JJADMP CC[C@H](Cn1c(C(C)C)nnc1N1CCC[N@H+](C(C)(C)C)CC1)[NH+]1CCc2ccccc2C1 ZINC001545950023 1066140193 /nfs/dbraw/zinc/14/01/93/1066140193.db2.gz JUOZVRJQQGGQFA-XMMPIXPASA-N 2 1 452.691 4.549 20 0 JJADMP CC[C@H](Cn1c(C(C)C)nnc1N1CCC[NH+](C(C)(C)C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC001545950023 1066140196 /nfs/dbraw/zinc/14/01/96/1066140196.db2.gz JUOZVRJQQGGQFA-XMMPIXPASA-N 2 1 452.691 4.549 20 0 JJADMP CC[C@H](Cn1c(C(C)C)nnc1N1CCC[NH+](C(C)(C)C)CC1)[N@H+]1CCc2ccccc2C1 ZINC001545950023 1066140198 /nfs/dbraw/zinc/14/01/98/1066140198.db2.gz JUOZVRJQQGGQFA-XMMPIXPASA-N 2 1 452.691 4.549 20 0 JJADMP CC[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)[NH+]1CCCC1 ZINC001545951707 1066157915 /nfs/dbraw/zinc/15/79/15/1066157915.db2.gz BJSNNHBFULYKAB-FYYLOGMGSA-N 2 1 486.680 4.742 20 0 JJADMP CCCN(C(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001442865214 1066233630 /nfs/dbraw/zinc/23/36/30/1066233630.db2.gz BNVQRQFTIXBAJR-XNMGPUDCSA-N 2 1 451.630 4.941 20 0 JJADMP CCCN(C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001442865214 1066233649 /nfs/dbraw/zinc/23/36/49/1066233649.db2.gz BNVQRQFTIXBAJR-XNMGPUDCSA-N 2 1 451.630 4.941 20 0 JJADMP CCCN(C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001442865214 1066233671 /nfs/dbraw/zinc/23/36/71/1066233671.db2.gz BNVQRQFTIXBAJR-XNMGPUDCSA-N 2 1 451.630 4.941 20 0 JJADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC001442919312 1066240246 /nfs/dbraw/zinc/24/02/46/1066240246.db2.gz JNHRXGQDFXUXNP-INIZCTEOSA-N 2 1 455.455 4.605 20 0 JJADMP Cc1cc(C)cc(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC(C)(C)C[NH+]2CCCC2)c1 ZINC001361035064 1066252559 /nfs/dbraw/zinc/25/25/59/1066252559.db2.gz OORHBTXLKOURRO-UHFFFAOYSA-N 2 1 496.744 4.907 20 0 JJADMP Cc1ccc(C)c(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001361159345 1066464063 /nfs/dbraw/zinc/46/40/63/1066464063.db2.gz WWFPWTKPZZBROB-UHFFFAOYSA-N 2 1 470.706 4.513 20 0 JJADMP Cc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2Cc2ccccc2C[N@@H+](C)C(C)C)o1 ZINC001361207009 1066539287 /nfs/dbraw/zinc/53/92/87/1066539287.db2.gz FSCOCFQPXYGYFK-UHFFFAOYSA-N 2 1 464.658 4.702 20 0 JJADMP Cc1ccc(-c2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CCCC[N@@H+]2CCCC[C@@H]2C)o1 ZINC001361218504 1066555197 /nfs/dbraw/zinc/55/51/97/1066555197.db2.gz SNDIBMPAZLYAKB-NRFANRHFSA-N 2 1 456.679 4.812 20 0 JJADMP Cc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCCC[NH+]2CCCC[C@@H]2C)o1 ZINC001361218504 1066555210 /nfs/dbraw/zinc/55/52/10/1066555210.db2.gz SNDIBMPAZLYAKB-NRFANRHFSA-N 2 1 456.679 4.812 20 0 JJADMP Cc1ccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCCC[NH+]2CCCC[C@@H]2C)o1 ZINC001361218504 1066555223 /nfs/dbraw/zinc/55/52/23/1066555223.db2.gz SNDIBMPAZLYAKB-NRFANRHFSA-N 2 1 456.679 4.812 20 0 JJADMP CC[NH+](CC)Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1 ZINC001446001623 1066644101 /nfs/dbraw/zinc/64/41/01/1066644101.db2.gz PZYAAHAWIXISJJ-UHFFFAOYSA-N 2 1 458.444 4.685 20 0 JJADMP Cc1[nH+]ccn1CCn1c(CC(C)(C)C)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001492710832 1066877126 /nfs/dbraw/zinc/87/71/26/1066877126.db2.gz DCQOYJGIEBOYFT-QPPBQGQZSA-N 2 1 463.674 4.561 20 0 JJADMP Cc1[nH+]ccn1CCn1c(CC(C)(C)C)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001492710832 1066877134 /nfs/dbraw/zinc/87/71/34/1066877134.db2.gz DCQOYJGIEBOYFT-QPPBQGQZSA-N 2 1 463.674 4.561 20 0 JJADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@@H](C(C)C)[NH+](C)C)C2 ZINC001457717041 1066903984 /nfs/dbraw/zinc/90/39/84/1066903984.db2.gz VLYAVMZIGYBAEC-AVRDEDQJSA-N 2 1 451.442 4.676 20 0 JJADMP CC[C@@H](c1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC001545751276 1067023103 /nfs/dbraw/zinc/02/31/03/1067023103.db2.gz BQZJPHWZGWMFFF-JWQCQUIFSA-N 2 1 466.718 4.861 20 0 JJADMP CC[C@@H](c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@H]1[NH+](C)CCCC1(C)C)c1ccccc1 ZINC001545751276 1067023117 /nfs/dbraw/zinc/02/31/17/1067023117.db2.gz BQZJPHWZGWMFFF-JWQCQUIFSA-N 2 1 466.718 4.861 20 0 JJADMP CC[C@@H](c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@H]1[NH+](C)CCCC1(C)C)c1ccccc1 ZINC001545751276 1067023132 /nfs/dbraw/zinc/02/31/32/1067023132.db2.gz BQZJPHWZGWMFFF-JWQCQUIFSA-N 2 1 466.718 4.861 20 0 JJADMP CC[C@@H](c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@H](C(C)C)[NH+]1CCCC1)c1ccccc1 ZINC001545752109 1067026691 /nfs/dbraw/zinc/02/66/91/1067026691.db2.gz RBTNNOVEHKAJPO-CLJLJLNGSA-N 2 1 466.718 4.861 20 0 JJADMP CC[C@H](c1nnc(N2CC[NH+](CC(C)C)CC2)n1CCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC001545758653 1067038737 /nfs/dbraw/zinc/03/87/37/1067038737.db2.gz KTLSSVVVLGSHHV-RSXGOPAZSA-N 2 1 466.718 4.863 20 0 JJADMP C[N@H+]1CC[C@H](CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458448346 1067063603 /nfs/dbraw/zinc/06/36/03/1067063603.db2.gz ODMMGAXLFGRGBB-ZJSXRUAMSA-N 2 1 458.021 4.890 20 0 JJADMP C[N@H+]1CC[C@H](CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458448339 1067063932 /nfs/dbraw/zinc/06/39/32/1067063932.db2.gz ODMMGAXLFGRGBB-QPPBQGQZSA-N 2 1 458.021 4.890 20 0 JJADMP CCC(CC)[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@H+]2CCCC[C@H]2C1)[NH+](C)C ZINC001545819682 1067155618 /nfs/dbraw/zinc/15/56/18/1067155618.db2.gz KJNYRRMMZYWDGK-LADGPHEKSA-N 2 1 489.108 4.551 20 0 JJADMP CCC(CC)[C@H](Cn1c(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nnc1C(C)(C)C)[NH+](C)C ZINC001545820523 1067160009 /nfs/dbraw/zinc/16/00/09/1067160009.db2.gz YXJHXMGQTVLGOA-RPWUZVMVSA-N 2 1 454.707 4.653 20 0 JJADMP CC[N@@H+](CCC1CC[NH+]([C@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@H]2O)CC1)CC(C)C ZINC001459813984 1067434944 /nfs/dbraw/zinc/43/49/44/1067434944.db2.gz RGGJRXLCEXNUGO-LOSJGSFVSA-N 2 1 459.675 4.924 20 0 JJADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+]C(C)(C)c2ccc(OCC(C)C)cc2)CC1 ZINC001459852545 1067457127 /nfs/dbraw/zinc/45/71/27/1067457127.db2.gz XNKNNQLLMUINGN-UHFFFAOYSA-N 2 1 451.655 4.589 20 0 JJADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@]2(C)Cc2cccc(Cl)c2)CC1 ZINC001460341957 1067612532 /nfs/dbraw/zinc/61/25/32/1067612532.db2.gz SXRCZOFUUFKPFZ-HHHXNRCGSA-N 2 1 454.058 4.780 20 0 JJADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@]2(C)Cc2cccc(Cl)c2)CC1 ZINC001460341957 1067612538 /nfs/dbraw/zinc/61/25/38/1067612538.db2.gz SXRCZOFUUFKPFZ-HHHXNRCGSA-N 2 1 454.058 4.780 20 0 JJADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@]2(C)Cc2cccc(Cl)c2)CC1 ZINC001460341957 1067612543 /nfs/dbraw/zinc/61/25/43/1067612543.db2.gz SXRCZOFUUFKPFZ-HHHXNRCGSA-N 2 1 454.058 4.780 20 0 JJADMP CSc1ccc(OC[C@H](O)C[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001460538439 1067653178 /nfs/dbraw/zinc/65/31/78/1067653178.db2.gz CLAVRXOWCYNORN-BVAGGSTKSA-N 2 1 454.680 4.771 20 0 JJADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3c(C)nn(-c4ccc(F)cc4F)c3C)CC2)cs1 ZINC001461208839 1067799623 /nfs/dbraw/zinc/79/96/23/1067799623.db2.gz HSEUCWLYWGIWEK-UHFFFAOYSA-N 2 1 459.610 4.788 20 0 JJADMP COc1cc(Br)c(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1OC ZINC001461381222 1067842839 /nfs/dbraw/zinc/84/28/39/1067842839.db2.gz LBDPUDUTRWHMII-RCZSKKKRSA-N 2 1 459.428 4.857 20 0 JJADMP COc1cc(Br)c(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1OC ZINC001461381222 1067842848 /nfs/dbraw/zinc/84/28/48/1067842848.db2.gz LBDPUDUTRWHMII-RCZSKKKRSA-N 2 1 459.428 4.857 20 0 JJADMP COC(=O)[C@H](C)Oc1ccc(C[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001462256254 1068038946 /nfs/dbraw/zinc/03/89/46/1068038946.db2.gz AWICBAQRIAXOPJ-LVXARBLLSA-N 2 1 450.623 4.750 20 0 JJADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2sc(Nc3ccccc3)nc2s1 ZINC001464697640 1068828765 /nfs/dbraw/zinc/82/87/65/1068828765.db2.gz TUVQKIVDBWNYIX-GOSISDBHSA-N 2 1 457.669 4.590 20 0 JJADMP CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCC3(F)F)c2)CC1 ZINC001464706250 1068831980 /nfs/dbraw/zinc/83/19/80/1068831980.db2.gz UHGCPWUYQIKXIM-VWLOTQADSA-N 2 1 455.593 4.692 20 0 JJADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCC5(CC[NH2+]CC5)[C@@H]3C(F)(F)F)n2)CCC4)CC1 ZINC001164386950 718815357 /nfs/dbraw/zinc/81/53/57/718815357.db2.gz CENFSPQUCSZCGJ-HSZRJFAPSA-N 2 1 493.643 4.923 20 0 JJADMP c1ccc([C@@H]2C[NH2+]C[C@@]23CCN(c2nc(C[NH+]4CCCCC4)nc4sc5c(c42)CCC5)C3)cc1 ZINC001164621333 719047694 /nfs/dbraw/zinc/04/76/94/719047694.db2.gz IOSXPNQZAUKYGW-RBISFHTESA-N 2 1 473.690 4.749 20 0 JJADMP CC(C)[N@H+](C)Cc1nn(-c2nc(-c3ccc(F)cc3)nc3cc(Cl)ccc32)c2c1CC[NH2+]C2 ZINC001164682328 719627506 /nfs/dbraw/zinc/62/75/06/719627506.db2.gz MMAAPDKDVZMMPB-UHFFFAOYSA-N 2 1 464.976 4.761 20 0 JJADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(-c3ccc(F)cc3)nc3cc(Cl)ccc32)c2c1CC[NH2+]C2 ZINC001164682328 719627511 /nfs/dbraw/zinc/62/75/11/719627511.db2.gz MMAAPDKDVZMMPB-UHFFFAOYSA-N 2 1 464.976 4.761 20 0 JJADMP CC(C)[N@H+](C)Cc1nn(-c2ncnc3scc(-c4ccc(Cl)cc4)c32)c2c1CC[NH2+]C2 ZINC001164680559 719638508 /nfs/dbraw/zinc/63/85/08/719638508.db2.gz WBFCLHOZUZMBCS-UHFFFAOYSA-N 2 1 453.015 4.683 20 0 JJADMP CC(C)[N@@H+](C)Cc1nn(-c2ncnc3scc(-c4ccc(Cl)cc4)c32)c2c1CC[NH2+]C2 ZINC001164680559 719638520 /nfs/dbraw/zinc/63/85/20/719638520.db2.gz WBFCLHOZUZMBCS-UHFFFAOYSA-N 2 1 453.015 4.683 20 0 JJADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cnc(Cl)c(-c3ccccc3F)c2)c2c1CC[NH2+]C2 ZINC001164679593 719645799 /nfs/dbraw/zinc/64/57/99/719645799.db2.gz IINYROSJJBIQQR-UHFFFAOYSA-N 2 1 463.935 4.821 20 0 JJADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cnc(Cl)c(-c3ccccc3F)c2)c2c1CC[NH2+]C2 ZINC001164679593 719645811 /nfs/dbraw/zinc/64/58/11/719645811.db2.gz IINYROSJJBIQQR-UHFFFAOYSA-N 2 1 463.935 4.821 20 0 JJADMP Cc1ccc2cc[nH+]c(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c2c1 ZINC001164681585 719668469 /nfs/dbraw/zinc/66/84/69/719668469.db2.gz NDDFDLGDOKYFKV-HSZRJFAPSA-N 2 1 456.634 4.637 20 0 JJADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(Cc2nn(C(C)C)c3c2CC[NH2+]C3)c2nccs2)nc1 ZINC001164709665 720091880 /nfs/dbraw/zinc/09/18/80/720091880.db2.gz CBGPQIARRWTCKX-JOCHJYFZSA-N 2 1 465.671 4.846 20 0 JJADMP CC(C)(C)N(c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001164733500 720546032 /nfs/dbraw/zinc/54/60/32/720546032.db2.gz CNNIKTXRSIMZNR-IBGZPJMESA-N 2 1 483.726 4.682 20 0 JJADMP CC(C)(C)N(c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001164734066 720546384 /nfs/dbraw/zinc/54/63/84/720546384.db2.gz GYAKMRBETHJDOR-LJQANCHMSA-N 2 1 483.726 4.682 20 0 JJADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164843172 720605227 /nfs/dbraw/zinc/60/52/27/720605227.db2.gz XAYGBVJBVLGZBO-DNVJHFABSA-N 2 1 495.741 4.724 20 0 JJADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164843172 720605235 /nfs/dbraw/zinc/60/52/35/720605235.db2.gz XAYGBVJBVLGZBO-DNVJHFABSA-N 2 1 495.741 4.724 20 0 JJADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)nc1 ZINC001164840816 720636106 /nfs/dbraw/zinc/63/61/06/720636106.db2.gz QXMFKICSMIFJTH-XDZVQPMWSA-N 2 1 450.675 4.593 20 0 JJADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1 ZINC001164840816 720636111 /nfs/dbraw/zinc/63/61/11/720636111.db2.gz QXMFKICSMIFJTH-XDZVQPMWSA-N 2 1 450.675 4.593 20 0 JJADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1 ZINC001164840816 720636112 /nfs/dbraw/zinc/63/61/12/720636112.db2.gz QXMFKICSMIFJTH-XDZVQPMWSA-N 2 1 450.675 4.593 20 0 JJADMP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1[nH+]cnc3c1ccn3Cc1ccccc1)CC2 ZINC001164841278 720694204 /nfs/dbraw/zinc/69/42/04/720694204.db2.gz IRSBAWAFTCYUEA-RUZDIDTESA-N 2 1 467.617 4.740 20 0 JJADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1[nH+]cnc3c1ccn3Cc1ccccc1)CC2 ZINC001164841278 720694205 /nfs/dbraw/zinc/69/42/05/720694205.db2.gz IRSBAWAFTCYUEA-RUZDIDTESA-N 2 1 467.617 4.740 20 0 JJADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(c3cccc(C)c3)[C@H]3CO[C@@]4(CC[NH2+]C4)C3)c2c1C ZINC001164778393 721329494 /nfs/dbraw/zinc/32/94/94/721329494.db2.gz VCANJSAUQOSDBE-AMGIVPHBSA-N 2 1 477.678 4.871 20 0 JJADMP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3[nH+]c(N4CCCC4)cc4ccccc43)C2)C1 ZINC001164786021 721368631 /nfs/dbraw/zinc/36/86/31/721368631.db2.gz UMCJUOOZCCMZSY-MUUNZHRXSA-N 2 1 475.637 4.559 20 0 JJADMP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1[nH+]cnc3c1ccn3Cc1cccc(F)c1)CC2 ZINC001164792271 721496818 /nfs/dbraw/zinc/49/68/18/721496818.db2.gz MNPGCYIRPBCSLM-UHFFFAOYSA-N 2 1 470.596 4.895 20 0 JJADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1[nH+]cnc3c1ccn3Cc1cccc(F)c1)CC2 ZINC001164792271 721496819 /nfs/dbraw/zinc/49/68/19/721496819.db2.gz MNPGCYIRPBCSLM-UHFFFAOYSA-N 2 1 470.596 4.895 20 0 JJADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164910755 721766757 /nfs/dbraw/zinc/76/67/57/721766757.db2.gz KTJKHHAPCQOMHB-UHFFFAOYSA-N 2 1 499.993 4.839 20 0 JJADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164910755 721766759 /nfs/dbraw/zinc/76/67/59/721766759.db2.gz KTJKHHAPCQOMHB-UHFFFAOYSA-N 2 1 499.993 4.839 20 0 JJADMP 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 721832354 /nfs/dbraw/zinc/83/23/54/721832354.db2.gz ODVZUCVFTAXRNQ-WDJPJFJCSA-N 2 1 488.026 4.789 20 0 JJADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@@H]4CCCO[C@@H]34)c2c1C ZINC001164958823 722051169 /nfs/dbraw/zinc/05/11/69/722051169.db2.gz GWONTMDLHPHMOK-BPYKYCOYSA-N 2 1 492.693 4.594 20 0 JJADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@H]4CCCO[C@@H]43)c2c1C ZINC001164958829 722051190 /nfs/dbraw/zinc/05/11/90/722051190.db2.gz GWONTMDLHPHMOK-OTPAQWSUSA-N 2 1 492.693 4.594 20 0 JJADMP CC(C)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1CCC[N@H+](C)C1CCCCC1 ZINC001359719331 1064266637 /nfs/dbraw/zinc/26/66/37/1064266637.db2.gz JIHVZFBOACVYME-UHFFFAOYSA-N 2 1 456.654 4.517 20 0 JJADMP CC(C)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001359719331 1064266643 /nfs/dbraw/zinc/26/66/43/1064266643.db2.gz JIHVZFBOACVYME-UHFFFAOYSA-N 2 1 456.654 4.517 20 0 JJADMP CCC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2Cl)CC1 ZINC001434880225 1064312195 /nfs/dbraw/zinc/31/21/95/1064312195.db2.gz DRKDWEKYUNBVEU-JOCHJYFZSA-N 2 1 455.046 4.723 20 0 JJADMP CC(C)C[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](Cc2cccs2)CC1)[NH+](C)C ZINC001359766459 1064392519 /nfs/dbraw/zinc/39/25/19/1064392519.db2.gz NYLXJUBWJAFQKH-JOCHJYFZSA-N 2 1 487.117 4.959 20 0 JJADMP CC(C)C[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)[NH+](C)C ZINC001359766561 1064392768 /nfs/dbraw/zinc/39/27/68/1064392768.db2.gz PUBZMTVXMLVNGO-NRFANRHFSA-N 2 1 492.659 4.833 20 0 JJADMP CC(C)C[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1)[NH+](C)C ZINC001359771450 1064405197 /nfs/dbraw/zinc/40/51/97/1064405197.db2.gz XNOIRMSDNHXPLJ-OFVILXPXSA-N 2 1 498.716 4.929 20 0 JJADMP CC(C)Cc1nnc(N2CC[C@@H](C)[NH+](Cc3ccccc3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001359802481 1064470718 /nfs/dbraw/zinc/47/07/18/1064470718.db2.gz PEERANYGSQRZTI-XMMPIXPASA-N 2 1 466.718 4.699 20 0 JJADMP CC(C)Cc1nnc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)n1CC[NH+]1CCCC(C)(C)C1 ZINC001359802481 1064470730 /nfs/dbraw/zinc/47/07/30/1064470730.db2.gz PEERANYGSQRZTI-XMMPIXPASA-N 2 1 466.718 4.699 20 0 JJADMP CC(C)Cc1nnc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1CC[NH+]1CCCC(C)(C)C1 ZINC001359802481 1064470738 /nfs/dbraw/zinc/47/07/38/1064470738.db2.gz PEERANYGSQRZTI-XMMPIXPASA-N 2 1 466.718 4.699 20 0 JJADMP CC(C)Cc1nnc(N2CCC(C[NH+](C)Cc3ccccc3)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001359807755 1064478174 /nfs/dbraw/zinc/47/81/74/1064478174.db2.gz CCIRDNJLQPJAHQ-MHZLTWQESA-N 2 1 480.745 4.945 20 0 JJADMP CC(C)Cc1nnc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1C[C@H]1CCC[NH+](C(C)C)C1 ZINC001359807755 1064478182 /nfs/dbraw/zinc/47/81/82/1064478182.db2.gz CCIRDNJLQPJAHQ-MHZLTWQESA-N 2 1 480.745 4.945 20 0 JJADMP CC(C)Cc1nnc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1C[C@H]1CCC[NH+](C(C)C)C1 ZINC001359807755 1064478189 /nfs/dbraw/zinc/47/81/89/1064478189.db2.gz CCIRDNJLQPJAHQ-MHZLTWQESA-N 2 1 480.745 4.945 20 0 JJADMP CC(C)Cc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001359832691 1064516415 /nfs/dbraw/zinc/51/64/15/1064516415.db2.gz NOYWETKCAXENMP-UBFVSLLYSA-N 2 1 458.739 4.688 20 0 JJADMP CC(C)Cc1nnc(N2CC[NH+](C3CCC3)C[C@H](C)C2)n1CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001359855286 1064542350 /nfs/dbraw/zinc/54/23/50/1064542350.db2.gz IGGFMNXJQPTWFD-ZEQRLZLVSA-N 2 1 466.718 4.698 20 0 JJADMP CC(C)Cc1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CC[C@H](C)[NH+](C)Cc1ccccc1 ZINC001359855286 1064542366 /nfs/dbraw/zinc/54/23/66/1064542366.db2.gz IGGFMNXJQPTWFD-ZEQRLZLVSA-N 2 1 466.718 4.698 20 0 JJADMP CC(C)Cc1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CC[C@H](C)[NH+](C)Cc1ccccc1 ZINC001359855286 1064542384 /nfs/dbraw/zinc/54/23/84/1064542384.db2.gz IGGFMNXJQPTWFD-ZEQRLZLVSA-N 2 1 466.718 4.698 20 0 JJADMP CC(C)Cc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001359861577 1064552824 /nfs/dbraw/zinc/55/28/24/1064552824.db2.gz ZOEDTTLRLHITLK-GMAHTHKFSA-N 2 1 466.699 4.552 20 0 JJADMP CC(C)CC[NH+]1CCC(Cn2c(CC(C)C)nnc2N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC001359949162 1064702220 /nfs/dbraw/zinc/70/22/20/1064702220.db2.gz XLLHIVUTLASEKI-RUZDIDTESA-N 2 1 480.745 4.945 20 0 JJADMP CC(C)C[N@H+]1CCC[C@H](Cn2c(N3CC[C@H]([NH+](C)Cc4ccccc4)C3)nnc2C(C)(C)C)C1 ZINC001360012813 1064811379 /nfs/dbraw/zinc/81/13/79/1064811379.db2.gz WSISUXOTCUTMEC-DQEYMECFSA-N 2 1 466.718 4.654 20 0 JJADMP CC(C)C[NH+]1CCC[C@H](Cn2c(N3CC[C@H]([N@H+](C)Cc4ccccc4)C3)nnc2C(C)(C)C)C1 ZINC001360012813 1064811386 /nfs/dbraw/zinc/81/13/86/1064811386.db2.gz WSISUXOTCUTMEC-DQEYMECFSA-N 2 1 466.718 4.654 20 0 JJADMP CC(C)C[NH+]1CCC[C@H](Cn2c(N3CC[C@H]([N@@H+](C)Cc4ccccc4)C3)nnc2C(C)(C)C)C1 ZINC001360012813 1064811399 /nfs/dbraw/zinc/81/13/99/1064811399.db2.gz WSISUXOTCUTMEC-DQEYMECFSA-N 2 1 466.718 4.654 20 0 JJADMP CC(C)C[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001360021238 1064824346 /nfs/dbraw/zinc/82/43/46/1064824346.db2.gz BOIMGIZZBAYZJR-NRFANRHFSA-N 2 1 473.109 4.887 20 0 JJADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3ccccc3F)n2CC[NH+]2CCCC(C)(C)C2)CC1 ZINC001360095954 1064971534 /nfs/dbraw/zinc/97/15/34/1064971534.db2.gz TWHSHXZLOQHLTC-UHFFFAOYSA-N 2 1 484.708 4.687 20 0 JJADMP CC(C)[NH+](C)CC1CCN(c2nnc(Cc3ccccc3F)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001360095954 1064971549 /nfs/dbraw/zinc/97/15/49/1064971549.db2.gz TWHSHXZLOQHLTC-UHFFFAOYSA-N 2 1 484.708 4.687 20 0 JJADMP CC(C)[NH+](C)CC1CCN(c2nnc(Cc3ccccc3F)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001360095954 1064971560 /nfs/dbraw/zinc/97/15/60/1064971560.db2.gz TWHSHXZLOQHLTC-UHFFFAOYSA-N 2 1 484.708 4.687 20 0 JJADMP CC(C)[N@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001360098194 1064977436 /nfs/dbraw/zinc/97/74/36/1064977436.db2.gz KAGVFSNAVJFZCY-UHFFFAOYSA-N 2 1 473.090 4.713 20 0 JJADMP CC(C)[N@@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001360098194 1064977443 /nfs/dbraw/zinc/97/74/43/1064977443.db2.gz KAGVFSNAVJFZCY-UHFFFAOYSA-N 2 1 473.090 4.713 20 0 JJADMP CC(C)[N@@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1CCC[NH+](C2CCCC2)CC1 ZINC001360098509 1064977849 /nfs/dbraw/zinc/97/78/49/1064977849.db2.gz VPGOJGQLDDSKHJ-UHFFFAOYSA-N 2 1 459.082 4.784 20 0 JJADMP CC(C)[NH+](C)CCCn1c(-c2ccccc2Cl)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001360098509 1064977868 /nfs/dbraw/zinc/97/78/68/1064977868.db2.gz VPGOJGQLDDSKHJ-UHFFFAOYSA-N 2 1 459.082 4.784 20 0 JJADMP CC(C)[NH+](C)CCCn1c(-c2ccccc2Cl)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001360098509 1064977880 /nfs/dbraw/zinc/97/78/80/1064977880.db2.gz VPGOJGQLDDSKHJ-UHFFFAOYSA-N 2 1 459.082 4.784 20 0 JJADMP CC(C)[N@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001360106476 1064987922 /nfs/dbraw/zinc/98/79/22/1064987922.db2.gz DONPIWZPIRSERC-IBGZPJMESA-N 2 1 473.090 4.883 20 0 JJADMP CC(C)[N@@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001360106476 1064987932 /nfs/dbraw/zinc/98/79/32/1064987932.db2.gz DONPIWZPIRSERC-IBGZPJMESA-N 2 1 473.090 4.883 20 0 JJADMP CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3ccc(Cl)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001360138817 1065035077 /nfs/dbraw/zinc/03/50/77/1065035077.db2.gz KFCSOBSYZWQAAR-HXUWFJFHSA-N 2 1 459.082 4.639 20 0 JJADMP CC(C)[N@H+]1CCCN(c2nnc(CC(C)(C)C)n2C[C@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC001360146741 1065048504 /nfs/dbraw/zinc/04/85/04/1065048504.db2.gz USRDAWYNSMVQAA-JOCHJYFZSA-N 2 1 456.679 4.607 20 0 JJADMP CC(C)[NH2+]C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001360310106 1065147276 /nfs/dbraw/zinc/14/72/76/1065147276.db2.gz ZCIGOTPDRQMHLY-ICDZXHCJSA-N 2 1 488.765 4.818 20 0 JJADMP CC(C)[N@H+]1CCCN(c2nnc(Cc3ccsc3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001360645388 1065720420 /nfs/dbraw/zinc/72/04/20/1065720420.db2.gz IJVUVXDMTLLAKP-QFIPXVFZSA-N 2 1 480.726 4.980 20 0 JJADMP CC(C)[N@H+]1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2[NH+](C)CCCC2(C)C)CC1 ZINC001360745897 1065786268 /nfs/dbraw/zinc/78/62/68/1065786268.db2.gz QCSRWVAQVVKJPK-XUZZJYLKSA-N 2 1 486.680 4.598 20 0 JJADMP CC(C)[NH+]1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001360745897 1065786280 /nfs/dbraw/zinc/78/62/80/1065786280.db2.gz QCSRWVAQVVKJPK-XUZZJYLKSA-N 2 1 486.680 4.598 20 0 JJADMP CC(C)[NH+]1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001360745897 1065786295 /nfs/dbraw/zinc/78/62/95/1065786295.db2.gz QCSRWVAQVVKJPK-XUZZJYLKSA-N 2 1 486.680 4.598 20 0 JJADMP CC(C)[N@H+]1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H]2[NH+](C)CCCC2(C)C)CC1 ZINC001360745898 1065786470 /nfs/dbraw/zinc/78/64/70/1065786470.db2.gz QCSRWVAQVVKJPK-ZJSXRUAMSA-N 2 1 486.680 4.598 20 0 JJADMP CC(C)[NH+]1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001360745898 1065786486 /nfs/dbraw/zinc/78/64/86/1065786486.db2.gz QCSRWVAQVVKJPK-ZJSXRUAMSA-N 2 1 486.680 4.598 20 0 JJADMP CC(C)[NH+]1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001360745898 1065786498 /nfs/dbraw/zinc/78/64/98/1065786498.db2.gz QCSRWVAQVVKJPK-ZJSXRUAMSA-N 2 1 486.680 4.598 20 0 JJADMP CC(C)[NH+](CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)C(C)C ZINC001360761172 1065836218 /nfs/dbraw/zinc/83/62/18/1065836218.db2.gz ZVRFWBWOIQEVAU-FYYLOGMGSA-N 2 1 489.108 4.865 20 0 JJADMP CC(C)[N@@H+](C)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001360761102 1065836371 /nfs/dbraw/zinc/83/63/71/1065836371.db2.gz YXKSLEUZDAKKMY-NRFANRHFSA-N 2 1 489.108 4.866 20 0 JJADMP CC(C)[NH+](CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@H+]2CCCC[C@H]2C1)C(C)C ZINC001360761174 1065837216 /nfs/dbraw/zinc/83/72/16/1065837216.db2.gz ZVRFWBWOIQEVAU-GMAHTHKFSA-N 2 1 489.108 4.865 20 0 JJADMP Cc1cccc(O[C@@H](C)c2nnc(N3CC[NH+](CC(C)C)CC3)n2CC[N@H+]2CCCC(C)(C)C2)c1C ZINC001360878658 1066026367 /nfs/dbraw/zinc/02/63/67/1066026367.db2.gz XPXCOASRQNDHFS-VWLOTQADSA-N 2 1 496.744 4.935 20 0 JJADMP CC[C@@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)[NH+]1CCCC1 ZINC001545951708 1066157881 /nfs/dbraw/zinc/15/78/81/1066157881.db2.gz BJSNNHBFULYKAB-GGAORHGYSA-N 2 1 486.680 4.742 20 0 JJADMP 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 1066381512 /nfs/dbraw/zinc/38/15/12/1066381512.db2.gz IAXJBYWWJOJGJG-DSNGMDLFSA-N 2 1 496.744 4.938 20 0 JJADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC001443929477 1066386307 /nfs/dbraw/zinc/38/63/07/1066386307.db2.gz RLSAAMKWYOTVCM-XSBVVTFOSA-N 2 1 463.666 4.551 20 0 JJADMP Cc1ccc(C)c(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H](C)[NH+]2CCC[C@H](C)C2)c1 ZINC001361158649 1066461890 /nfs/dbraw/zinc/46/18/90/1066461890.db2.gz DVGVWBBMNJDXDW-UKILVPOCSA-N 2 1 482.717 4.515 20 0 JJADMP Cc1ccc(C)c(OCc2nnc(N3CCC[NH+](C(C)C)CC3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001361158649 1066461898 /nfs/dbraw/zinc/46/18/98/1066461898.db2.gz DVGVWBBMNJDXDW-UKILVPOCSA-N 2 1 482.717 4.515 20 0 JJADMP Cc1ccc(C)c(OCc2nnc(N3CCC[NH+](C(C)C)CC3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001361158649 1066461906 /nfs/dbraw/zinc/46/19/06/1066461906.db2.gz DVGVWBBMNJDXDW-UKILVPOCSA-N 2 1 482.717 4.515 20 0 JJADMP Cc1ccc(-c2nnc(N(C)C3CC[NH+](Cc4ccccc4)CC3)n2CCC[N@H+](C)C(C)C)o1 ZINC001361171308 1066486452 /nfs/dbraw/zinc/48/64/52/1066486452.db2.gz NPMCMVYJHUKSOJ-UHFFFAOYSA-N 2 1 464.658 4.678 20 0 JJADMP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001361192144 1066519526 /nfs/dbraw/zinc/51/95/26/1066519526.db2.gz HZWFIICPBAUOLH-ZCYQVOJMSA-N 2 1 459.556 4.737 20 0 JJADMP C[C@H](c1ccc(NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)cc1)[NH+]1CCOCC1 ZINC001456158955 1066525668 /nfs/dbraw/zinc/52/56/68/1066525668.db2.gz XOOMEDKHPKDMPT-FCHUYYIVSA-N 2 1 451.611 4.585 20 0 JJADMP C[C@H](c1ccc(NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)cc1)[NH+]1CCOCC1 ZINC001456158955 1066525675 /nfs/dbraw/zinc/52/56/75/1066525675.db2.gz XOOMEDKHPKDMPT-FCHUYYIVSA-N 2 1 451.611 4.585 20 0 JJADMP CCc1ccc(-c2nc(C(=O)N(C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)cs2)cc1 ZINC001445185658 1066544259 /nfs/dbraw/zinc/54/42/59/1066544259.db2.gz KKBMICNNGCXHQW-UHFFFAOYSA-N 2 1 454.684 4.641 20 0 JJADMP C[C@@H]1C[C@@H](NC(=O)[C@@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001457241314 1066797225 /nfs/dbraw/zinc/79/72/25/1066797225.db2.gz UQSKOFDCIZPBIX-JHMXWDHMSA-N 2 1 459.556 4.610 20 0 JJADMP C[C@@H]1C[C@@H](NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001457241314 1066797232 /nfs/dbraw/zinc/79/72/32/1066797232.db2.gz UQSKOFDCIZPBIX-JHMXWDHMSA-N 2 1 459.556 4.610 20 0 JJADMP C[C@@H]1C[C@@H](NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001457241314 1066797242 /nfs/dbraw/zinc/79/72/42/1066797242.db2.gz UQSKOFDCIZPBIX-JHMXWDHMSA-N 2 1 459.556 4.610 20 0 JJADMP Cc1[nH+]ccn1-c1ccc(Cn2c(N3CCC(C[N@@H+](C)C(C)C)CC3)nnc2C(C)(C)C)cc1F ZINC001492705903 1066866914 /nfs/dbraw/zinc/86/69/14/1066866914.db2.gz VWMVITQZTBSXGS-UHFFFAOYSA-N 2 1 481.664 4.814 20 0 JJADMP Cc1[nH+]ccn1-c1ccc(Cn2c(N3CCC(C[N@H+](C)C(C)C)CC3)nnc2C(C)(C)C)cc1F ZINC001492705903 1066866919 /nfs/dbraw/zinc/86/69/19/1066866919.db2.gz VWMVITQZTBSXGS-UHFFFAOYSA-N 2 1 481.664 4.814 20 0 JJADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cccc(C(F)(F)F)c1 ZINC001448059200 1066894537 /nfs/dbraw/zinc/89/45/37/1066894537.db2.gz BZFZQDAEIYVSHB-PKTZIBPZSA-N 2 1 459.556 4.727 20 0 JJADMP 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 1066947133 /nfs/dbraw/zinc/94/71/33/1066947133.db2.gz JZXGPYBVTCRAAM-AALWMKDKSA-N 2 1 466.718 4.834 20 0 JJADMP Cc1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1CCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001492776925 1066947145 /nfs/dbraw/zinc/94/71/45/1066947145.db2.gz JZXGPYBVTCRAAM-AALWMKDKSA-N 2 1 466.718 4.834 20 0 JJADMP Cc1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1CCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001492776925 1066947158 /nfs/dbraw/zinc/94/71/58/1066947158.db2.gz JZXGPYBVTCRAAM-AALWMKDKSA-N 2 1 466.718 4.834 20 0 JJADMP Cc1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001492805129 1066954481 /nfs/dbraw/zinc/95/44/81/1066954481.db2.gz ZVQHAHANNDWRAU-CPJSRVTESA-N 2 1 456.654 4.509 20 0 JJADMP CC[C@@H](c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1CC(C)(C)[NH+]1CCC(OC)CC1)c1ccccc1 ZINC001545730631 1066988212 /nfs/dbraw/zinc/98/82/12/1066988212.db2.gz CUTATAQXPVNIKJ-JCYRPKCISA-N 2 1 496.744 4.628 20 0 JJADMP 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 1066993572 /nfs/dbraw/zinc/99/35/72/1066993572.db2.gz ZMMNUMNKHMKQMW-WREZULKGSA-N 2 1 454.707 4.715 20 0 JJADMP CC[C@H](c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCC[NH+](CC)CC)c1ccccc1 ZINC001545751343 1067023379 /nfs/dbraw/zinc/02/33/79/1067023379.db2.gz DJXRSHFNNHMNAB-DEOSSOPVSA-N 2 1 454.707 4.863 20 0 JJADMP CC[C@H](c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@H](C(C)C)[NH+]1CCCC1)c1ccccc1 ZINC001545752112 1067026480 /nfs/dbraw/zinc/02/64/80/1067026480.db2.gz RBTNNOVEHKAJPO-UIOOFZCWSA-N 2 1 466.718 4.861 20 0 JJADMP CC[C@H](c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1CC1([NH+](C)C)CCCCC1)c1ccccc1 ZINC001545758415 1067037806 /nfs/dbraw/zinc/03/78/06/1067037806.db2.gz GSTSANMXHYERRQ-VWNXMTODSA-N 2 1 452.691 4.615 20 0 JJADMP CC[C@H](c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC001545761438 1067045386 /nfs/dbraw/zinc/04/53/86/1067045386.db2.gz RLHAATUZAPCWPI-RPBOFIJWSA-N 2 1 452.691 4.613 20 0 JJADMP CCC(CC)[C@@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[N@H+](C(C)C)CC1)[NH+](C)C ZINC001545809626 1067136413 /nfs/dbraw/zinc/13/64/13/1067136413.db2.gz HRHFVROUHZQATA-AREMUKBSSA-N 2 1 479.717 4.724 20 0 JJADMP CCC(CC)[C@H](Cn1c(-c2cccn2C)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1)[NH+](C)C ZINC001545810474 1067138800 /nfs/dbraw/zinc/13/88/00/1067138800.db2.gz XCUQEHZGQOCYCE-RDPSFJRHSA-N 2 1 483.730 4.595 20 0 JJADMP CCC(CC)[C@H](Cn1c(C2CCCC2)nnc1N1CC[NH+](Cc2cccs2)CC1)[NH+](C)C ZINC001545815341 1067144678 /nfs/dbraw/zinc/14/46/78/1067144678.db2.gz PLEBCSMMLVBIRA-QHCPKHFHSA-N 2 1 458.720 4.686 20 0 JJADMP CCC(CC)[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)[NH+](C)C ZINC001545819684 1067155573 /nfs/dbraw/zinc/15/55/73/1067155573.db2.gz KJNYRRMMZYWDGK-VWNXMTODSA-N 2 1 489.108 4.551 20 0 JJADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001453391523 1067303081 /nfs/dbraw/zinc/30/30/81/1067303081.db2.gz SWBRSYLXEDZELY-QGUKFAFCSA-N 2 1 454.058 4.792 20 0 JJADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001459668474 1067377816 /nfs/dbraw/zinc/37/78/16/1067377816.db2.gz HFUBJRNMRLICNO-OFNKIYASSA-N 2 1 451.659 4.793 20 0 JJADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001459668474 1067377826 /nfs/dbraw/zinc/37/78/26/1067377826.db2.gz HFUBJRNMRLICNO-OFNKIYASSA-N 2 1 451.659 4.793 20 0 JJADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H](CCc3ccccc3)c3ccccc3)CC2)cc1 ZINC001459839816 1067447516 /nfs/dbraw/zinc/44/75/16/1067447516.db2.gz CVUNXWLWBWCSLJ-GDLZYMKVSA-N 2 1 455.646 4.993 20 0 JJADMP C[N@@H+](Cc1ccccc1)C[C@H](C[NH2+][C@H](CO)c1cccc(Br)c1)c1ccccc1 ZINC001459935385 1067497917 /nfs/dbraw/zinc/49/79/17/1067497917.db2.gz UYKJRROYSQYHQF-UKILVPOCSA-N 2 1 453.424 4.988 20 0 JJADMP C[N@H+](Cc1ccccc1)C[C@H](C[NH2+][C@H](CO)c1cccc(Br)c1)c1ccccc1 ZINC001459935385 1067497929 /nfs/dbraw/zinc/49/79/29/1067497929.db2.gz UYKJRROYSQYHQF-UKILVPOCSA-N 2 1 453.424 4.988 20 0 JJADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC([C@@H](F)c3ccccc3F)CC2)CC1 ZINC001460087390 1067550666 /nfs/dbraw/zinc/55/06/66/1067550666.db2.gz ZSITZGICJSPDPF-HHHXNRCGSA-N 2 1 455.593 4.591 20 0 JJADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC([C@@H](F)c3ccccc3F)CC2)CC1 ZINC001460087390 1067550669 /nfs/dbraw/zinc/55/06/69/1067550669.db2.gz ZSITZGICJSPDPF-HHHXNRCGSA-N 2 1 455.593 4.591 20 0 JJADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](CC(C)C)[C@H](C)c3ccccc3C)CC2)cc1 ZINC001460087703 1067550899 /nfs/dbraw/zinc/55/08/99/1067550899.db2.gz BTSKNOPPBJLJJQ-XMMPIXPASA-N 2 1 451.655 4.757 20 0 JJADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](CC(C)C)[C@H](C)c3ccccc3C)CC2)cc1 ZINC001460087703 1067550906 /nfs/dbraw/zinc/55/09/06/1067550906.db2.gz BTSKNOPPBJLJJQ-XMMPIXPASA-N 2 1 451.655 4.757 20 0 JJADMP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](CC(C)C)[C@H](C)c3ccccc3C)CC2)cc1 ZINC001460087703 1067550917 /nfs/dbraw/zinc/55/09/17/1067550917.db2.gz BTSKNOPPBJLJJQ-XMMPIXPASA-N 2 1 451.655 4.757 20 0 JJADMP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](CC(C)C)[C@H](C)c3ccccc3C)CC2)cc1 ZINC001460087703 1067550926 /nfs/dbraw/zinc/55/09/26/1067550926.db2.gz BTSKNOPPBJLJJQ-XMMPIXPASA-N 2 1 451.655 4.757 20 0 JJADMP COC(=O)c1ccc(Br)c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC001460173072 1067570118 /nfs/dbraw/zinc/57/01/18/1067570118.db2.gz TWFSYJRCWINDRG-UHFFFAOYSA-N 2 1 457.412 4.724 20 0 JJADMP C[C@@H](c1ccc(Oc2ccccc2Cl)cc1Cl)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC001460685132 1067701548 /nfs/dbraw/zinc/70/15/48/1067701548.db2.gz CRHVGTQRKUPBMO-KRWDZBQOSA-N 2 1 450.410 4.943 20 0 JJADMP C[C@@H](c1ccc(Oc2ccccc2Cl)cc1Cl)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC001460685132 1067701554 /nfs/dbraw/zinc/70/15/54/1067701554.db2.gz CRHVGTQRKUPBMO-KRWDZBQOSA-N 2 1 450.410 4.943 20 0 JJADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CC[C@@H](c4cccc(Cl)c4)C3(C)C)cc2)CC1 ZINC001460723777 1067709893 /nfs/dbraw/zinc/70/98/93/1067709893.db2.gz FCEULAWDJXRMFB-DEOSSOPVSA-N 2 1 455.046 4.689 20 0 JJADMP Ic1ccc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC001461820937 1067941680 /nfs/dbraw/zinc/94/16/80/1067941680.db2.gz YBLWOFDICGCCPC-SQNIBIBYSA-N 2 1 452.405 4.743 20 0 JJADMP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](Cc3ccc(-c4ccc(Br)cc4)s3)CC2)CC[N@@H+]1C ZINC001464042424 1068598126 /nfs/dbraw/zinc/59/81/26/1068598126.db2.gz MLMDBKISQVOCFI-LEWJYISDSA-N 2 1 476.484 4.552 20 0 JJADMP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](Cc3ccc(-c4ccc(Br)cc4)s3)CC2)CC[N@H+]1C ZINC001464042424 1068598132 /nfs/dbraw/zinc/59/81/32/1068598132.db2.gz MLMDBKISQVOCFI-LEWJYISDSA-N 2 1 476.484 4.552 20 0 JJADMP CC1CC[NH+](Cc2cccc(CNC(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCC3(F)F)c2)CC1 ZINC001464706246 1068831913 /nfs/dbraw/zinc/83/19/13/1068831913.db2.gz UHGCPWUYQIKXIM-RUZDIDTESA-N 2 1 455.593 4.692 20 0 JJADMP FC(F)(F)[C@@H]1CCC2(CC[NH2+]CC2)N1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164414162 718880838 /nfs/dbraw/zinc/88/08/38/718880838.db2.gz QZYMLVHTCZBWAH-SFHVURJKSA-N 2 1 479.616 4.819 20 0 JJADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)n1 ZINC001164414353 718881377 /nfs/dbraw/zinc/88/13/77/718881377.db2.gz SATAFTPSLWUNGB-INIZCTEOSA-N 2 1 455.594 4.803 20 0 JJADMP c1ccc([C@@H]2C[NH2+]C[C@@]23CCN(c2nc(C[NH+]4CCCC4)nc4sc5c(c42)CCCC5)C3)cc1 ZINC001164619276 719047720 /nfs/dbraw/zinc/04/77/20/719047720.db2.gz CHGQXMALNYSWSD-RBISFHTESA-N 2 1 473.690 4.749 20 0 JJADMP [NH3+]C1([C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@@H]2CF)CC1 ZINC001164625387 719121174 /nfs/dbraw/zinc/12/11/74/719121174.db2.gz XFFFYGQORORSNQ-FPOVZHCZSA-N 2 1 465.642 4.857 20 0 JJADMP [NH3+]C1([C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4scc(-c5cccs5)c43)C[C@H]2CF)CC1 ZINC001164621074 719122247 /nfs/dbraw/zinc/12/22/47/719122247.db2.gz KJLPPNBCKCTLQD-SJLPKXTDSA-N 2 1 471.671 4.919 20 0 JJADMP CC[N@H+]1CCCC[C@H]1c1ccc(N(Cc2nn(C(C)C)c3c2CC[NH2+]C3)c2nccs2)nc1 ZINC001164709666 720091646 /nfs/dbraw/zinc/09/16/46/720091646.db2.gz CBGPQIARRWTCKX-QFIPXVFZSA-N 2 1 465.671 4.846 20 0 JJADMP CC(C)n1nc(CN(c2nccs2)c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)c2c1C[NH2+]CC2 ZINC001164711489 720091949 /nfs/dbraw/zinc/09/19/49/720091949.db2.gz PWQUAOXHTMEZOM-UHFFFAOYSA-N 2 1 499.688 4.858 20 0 JJADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3c1ccn3Cc1ccccc1)CC2 ZINC001164717483 720123085 /nfs/dbraw/zinc/12/30/85/720123085.db2.gz PLRXTTUQBSCDBT-AREMUKBSSA-N 2 1 481.644 4.987 20 0 JJADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@@H](COC)[NH+](Cc4ccccn4)C3)CC2)nc1 ZINC001164712222 720153144 /nfs/dbraw/zinc/15/31/44/720153144.db2.gz LCEVUNPYCDSBPC-SVBPBHIXSA-N 2 1 477.697 4.921 20 0 JJADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164712222 720153149 /nfs/dbraw/zinc/15/31/49/720153149.db2.gz LCEVUNPYCDSBPC-SVBPBHIXSA-N 2 1 477.697 4.921 20 0 JJADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164712222 720153151 /nfs/dbraw/zinc/15/31/51/720153151.db2.gz LCEVUNPYCDSBPC-SVBPBHIXSA-N 2 1 477.697 4.921 20 0 JJADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164843253 720606096 /nfs/dbraw/zinc/60/60/96/720606096.db2.gz XAYGBVJBVLGZBO-YTFSRNRJSA-N 2 1 495.741 4.724 20 0 JJADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164843253 720606117 /nfs/dbraw/zinc/60/61/17/720606117.db2.gz XAYGBVJBVLGZBO-YTFSRNRJSA-N 2 1 495.741 4.724 20 0 JJADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[NH+]3C(C)C)C2)nc1 ZINC001164840814 720636363 /nfs/dbraw/zinc/63/63/63/720636363.db2.gz QXMFKICSMIFJTH-VEYUFSJPSA-N 2 1 450.675 4.593 20 0 JJADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1 ZINC001164840814 720636380 /nfs/dbraw/zinc/63/63/80/720636380.db2.gz QXMFKICSMIFJTH-VEYUFSJPSA-N 2 1 450.675 4.593 20 0 JJADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1 ZINC001164840814 720636403 /nfs/dbraw/zinc/63/64/03/720636403.db2.gz QXMFKICSMIFJTH-VEYUFSJPSA-N 2 1 450.675 4.593 20 0 JJADMP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1[nH+]cnc3c1ccn3Cc1ccccc1)CC2 ZINC001164841281 720694236 /nfs/dbraw/zinc/69/42/36/720694236.db2.gz IRSBAWAFTCYUEA-VWLOTQADSA-N 2 1 467.617 4.740 20 0 JJADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1[nH+]cnc3c1ccn3Cc1ccccc1)CC2 ZINC001164841281 720694239 /nfs/dbraw/zinc/69/42/39/720694239.db2.gz IRSBAWAFTCYUEA-VWLOTQADSA-N 2 1 467.617 4.740 20 0 JJADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)c2c1C ZINC001164862649 721003834 /nfs/dbraw/zinc/00/38/34/721003834.db2.gz UBBLJENOXBJADP-GOSISDBHSA-N 2 1 467.687 4.522 20 0 JJADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)c2c1C ZINC001164862649 721003842 /nfs/dbraw/zinc/00/38/42/721003842.db2.gz UBBLJENOXBJADP-GOSISDBHSA-N 2 1 467.687 4.522 20 0 JJADMP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3[nH+]c(N4CCCC4)cc4ccccc43)C2)C1 ZINC001164786022 721368270 /nfs/dbraw/zinc/36/82/70/721368270.db2.gz UMCJUOOZCCMZSY-NDEPHWFRSA-N 2 1 475.637 4.559 20 0 JJADMP CC(C)C[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1)[NH+](C)C ZINC001359766421 1064391702 /nfs/dbraw/zinc/39/17/02/1064391702.db2.gz NNDCWEXIHQYARR-RBBKRZOGSA-N 2 1 473.109 4.885 20 0 JJADMP CC(C)Cc1nnc(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1C[C@@H]1[NH+](C)CCCC1(C)C ZINC001359778078 1064422901 /nfs/dbraw/zinc/42/29/01/1064422901.db2.gz YJFNYFNICMTVNJ-DQEYMECFSA-N 2 1 466.718 4.698 20 0 JJADMP CC(C)Cc1nnc(N(C)[C@H]2CCC[NH+](Cc3ccccc3)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001359778078 1064422907 /nfs/dbraw/zinc/42/29/07/1064422907.db2.gz YJFNYFNICMTVNJ-DQEYMECFSA-N 2 1 466.718 4.698 20 0 JJADMP CC(C)Cc1nnc(N(C)[C@H]2CCC[NH+](Cc3ccccc3)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001359778078 1064422912 /nfs/dbraw/zinc/42/29/12/1064422912.db2.gz YJFNYFNICMTVNJ-DQEYMECFSA-N 2 1 466.718 4.698 20 0 JJADMP CC(C)Cc1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001359802062 1064469769 /nfs/dbraw/zinc/46/97/69/1064469769.db2.gz GYUDCNKULOHAQH-RPBOFIJWSA-N 2 1 466.718 4.842 20 0 JJADMP CC(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001359833431 1064519205 /nfs/dbraw/zinc/51/92/05/1064519205.db2.gz XOGINYUAQMDGAZ-CCDWMCETSA-N 2 1 458.739 4.545 20 0 JJADMP CC(C)Cc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001359833519 1064519616 /nfs/dbraw/zinc/51/96/16/1064519616.db2.gz YPRVKLDHMUEPCQ-JWQCQUIFSA-N 2 1 458.739 4.689 20 0 JJADMP CC(C)Cc1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001359841106 1064528130 /nfs/dbraw/zinc/52/81/30/1064528130.db2.gz BTCKDWHAIQDTMI-HSZRJFAPSA-N 2 1 454.707 4.698 20 0 JJADMP CC(C)Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC[C@@H](C)[NH+](C)Cc1ccccc1 ZINC001359841106 1064528148 /nfs/dbraw/zinc/52/81/48/1064528148.db2.gz BTCKDWHAIQDTMI-HSZRJFAPSA-N 2 1 454.707 4.698 20 0 JJADMP CC(C)Cc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC[C@@H](C)[NH+](C)Cc1ccccc1 ZINC001359841106 1064528166 /nfs/dbraw/zinc/52/81/66/1064528166.db2.gz BTCKDWHAIQDTMI-HSZRJFAPSA-N 2 1 454.707 4.698 20 0 JJADMP 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 1064547702 /nfs/dbraw/zinc/54/77/02/1064547702.db2.gz AJUPEXZOHZWREH-UBFVSLLYSA-N 2 1 480.745 4.944 20 0 JJADMP CC(C)Cc1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001359859758 1064547768 /nfs/dbraw/zinc/54/77/68/1064547768.db2.gz DKUILYDZERFCFF-VXKWHMMOSA-N 2 1 472.747 4.617 20 0 JJADMP CC(C)Cc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1CCCC[NH+]1CCC(C)CC1 ZINC001359860580 1064549535 /nfs/dbraw/zinc/54/95/35/1064549535.db2.gz JMKFHXZCURZZAR-RUZDIDTESA-N 2 1 466.718 4.699 20 0 JJADMP CC(C)Cc1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001359861279 1064550825 /nfs/dbraw/zinc/55/08/25/1064550825.db2.gz QCOHCYIVEIXDLY-QFIPXVFZSA-N 2 1 458.720 4.515 20 0 JJADMP CC(C)Cc1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001359861279 1064550841 /nfs/dbraw/zinc/55/08/41/1064550841.db2.gz QCOHCYIVEIXDLY-QFIPXVFZSA-N 2 1 458.720 4.515 20 0 JJADMP CC(C)C[N@H+]1CCC[C@@H](Cn2c(N3CC[C@H]([NH+](C)Cc4ccccc4)C3)nnc2C(C)(C)C)C1 ZINC001360012816 1064811158 /nfs/dbraw/zinc/81/11/58/1064811158.db2.gz WSISUXOTCUTMEC-RPBOFIJWSA-N 2 1 466.718 4.654 20 0 JJADMP CC(C)C[NH+]1CCC[C@@H](Cn2c(N3CC[C@H]([N@H+](C)Cc4ccccc4)C3)nnc2C(C)(C)C)C1 ZINC001360012816 1064811178 /nfs/dbraw/zinc/81/11/78/1064811178.db2.gz WSISUXOTCUTMEC-RPBOFIJWSA-N 2 1 466.718 4.654 20 0 JJADMP CC(C)C[NH+]1CCC[C@@H](Cn2c(N3CC[C@H]([N@@H+](C)Cc4ccccc4)C3)nnc2C(C)(C)C)C1 ZINC001360012816 1064811187 /nfs/dbraw/zinc/81/11/87/1064811187.db2.gz WSISUXOTCUTMEC-RPBOFIJWSA-N 2 1 466.718 4.654 20 0 JJADMP Cc1c(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)cnn1-c1cc[nH+]cc1 ZINC001360028302 1064830094 /nfs/dbraw/zinc/83/00/94/1064830094.db2.gz AZJMJSSWLHDIHN-UHFFFAOYSA-N 2 1 458.393 4.621 20 0 JJADMP CC(C)[N@@H+](C)Cc1ccccc1Cn1c(N2CCC[NH+](C(C)(C)C)CC2)nnc1C(C)(C)C ZINC001360092943 1064964771 /nfs/dbraw/zinc/96/47/71/1064964771.db2.gz YHFNJRWKTZEZJC-UHFFFAOYSA-N 2 1 454.707 4.775 20 0 JJADMP CC(C)[NH+](C)Cc1ccccc1Cn1c(N2CCC[N@@H+](C(C)(C)C)CC2)nnc1C(C)(C)C ZINC001360092943 1064964778 /nfs/dbraw/zinc/96/47/78/1064964778.db2.gz YHFNJRWKTZEZJC-UHFFFAOYSA-N 2 1 454.707 4.775 20 0 JJADMP CC(C)[NH+](C)Cc1ccccc1Cn1c(N2CCC[N@H+](C(C)(C)C)CC2)nnc1C(C)(C)C ZINC001360092943 1064964783 /nfs/dbraw/zinc/96/47/83/1064964783.db2.gz YHFNJRWKTZEZJC-UHFFFAOYSA-N 2 1 454.707 4.775 20 0 JJADMP CC(C)[N@@H+](C)CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001360097562 1064975467 /nfs/dbraw/zinc/97/54/67/1064975467.db2.gz LNBWKFJWUAKNJD-UHFFFAOYSA-N 2 1 452.691 4.647 20 0 JJADMP CC(C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001360113983 1064996989 /nfs/dbraw/zinc/99/69/89/1064996989.db2.gz VIDJDVZMXFVRBI-JIMJEQGWSA-N 2 1 496.744 4.638 20 0 JJADMP CC(C)[NH+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001360113983 1064997003 /nfs/dbraw/zinc/99/70/03/1064997003.db2.gz VIDJDVZMXFVRBI-JIMJEQGWSA-N 2 1 496.744 4.638 20 0 JJADMP CC(C)[NH+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001360113983 1064997014 /nfs/dbraw/zinc/99/70/14/1064997014.db2.gz VIDJDVZMXFVRBI-JIMJEQGWSA-N 2 1 496.744 4.638 20 0 JJADMP CC(C)[N@H+]1CCC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001360141614 1065040919 /nfs/dbraw/zinc/04/09/19/1065040919.db2.gz QRSWRVRAFDYMAQ-QFIPXVFZSA-N 2 1 473.109 4.563 20 0 JJADMP CC(C)[N@H+]1CCCN(c2nnc(-c3ccccc3F)n2CCC[NH+](C)C2CCCCC2)CC1 ZINC001360144447 1065045984 /nfs/dbraw/zinc/04/59/84/1065045984.db2.gz JGEORQJHDBODAL-UHFFFAOYSA-N 2 1 456.654 4.659 20 0 JJADMP CC(C)[NH+]1CCCN(c2nnc(-c3ccccc3F)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001360144447 1065045996 /nfs/dbraw/zinc/04/59/96/1065045996.db2.gz JGEORQJHDBODAL-UHFFFAOYSA-N 2 1 456.654 4.659 20 0 JJADMP CC(C)[NH+]1CCCN(c2nnc(-c3ccccc3F)n2CCC[N@@H+](C)C2CCCCC2)CC1 ZINC001360144447 1065046012 /nfs/dbraw/zinc/04/60/12/1065046012.db2.gz JGEORQJHDBODAL-UHFFFAOYSA-N 2 1 456.654 4.659 20 0 JJADMP CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001360309727 1065145936 /nfs/dbraw/zinc/14/59/36/1065145936.db2.gz KIQWASSAXULZGY-OAQYLSRUSA-N 2 1 482.717 4.604 20 0 JJADMP C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[N@H+](C(C)(C)C)CC1)[NH+](C)C1CC1 ZINC001360540691 1065526100 /nfs/dbraw/zinc/52/61/00/1065526100.db2.gz FAYGFXOCRAJNAN-KRWDZBQOSA-N 2 1 463.045 4.531 20 0 JJADMP C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[NH+](C(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001360540691 1065526113 /nfs/dbraw/zinc/52/61/13/1065526113.db2.gz FAYGFXOCRAJNAN-KRWDZBQOSA-N 2 1 463.045 4.531 20 0 JJADMP C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[NH+](C(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001360540691 1065526123 /nfs/dbraw/zinc/52/61/23/1065526123.db2.gz FAYGFXOCRAJNAN-KRWDZBQOSA-N 2 1 463.045 4.531 20 0 JJADMP C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001360745376 1065784448 /nfs/dbraw/zinc/78/44/48/1065784448.db2.gz JLAUNRVPLFUBGV-OAQYLSRUSA-N 2 1 486.680 4.742 20 0 JJADMP CC(C)[N@@H+](C)CCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001360760848 1065834898 /nfs/dbraw/zinc/83/48/98/1065834898.db2.gz UHVBPXIFKHTOOY-FQEVSTJZSA-N 2 1 477.097 4.722 20 0 JJADMP CC1([NH+]2CCCC2)CCC(NC(=O)[C@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC001455884512 1066445219 /nfs/dbraw/zinc/44/52/19/1066445219.db2.gz AUSBLGBUKUQEGO-HVJPQTFZSA-N 2 1 451.630 4.940 20 0 JJADMP Cc1ccc(C)c(OCc2nnc(N3CCC([NH+]4CCCCC4)CC3)n2CCC[N@H+](C)C(C)C)c1 ZINC001361154736 1066451580 /nfs/dbraw/zinc/45/15/80/1066451580.db2.gz FSPPOIAJJXZOLB-UHFFFAOYSA-N 2 1 482.717 4.659 20 0 JJADMP Cc1ccc(C)c(OCc2nnc(N3CCC[N@H+](C4CCCC4)CC3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001361159170 1066464039 /nfs/dbraw/zinc/46/40/39/1066464039.db2.gz RCLBJMHOTDLWIO-UHFFFAOYSA-N 2 1 482.717 4.516 20 0 JJADMP C[C@H](c1ccc(NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)cc1)[NH+]1CCOCC1 ZINC001456158957 1066525708 /nfs/dbraw/zinc/52/57/08/1066525708.db2.gz XOOMEDKHPKDMPT-FGZHOGPDSA-N 2 1 451.611 4.585 20 0 JJADMP C[C@H](c1ccc(NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)cc1)[NH+]1CCOCC1 ZINC001456158957 1066525717 /nfs/dbraw/zinc/52/57/17/1066525717.db2.gz XOOMEDKHPKDMPT-FGZHOGPDSA-N 2 1 451.611 4.585 20 0 JJADMP CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC001545994735 1066795951 /nfs/dbraw/zinc/79/59/51/1066795951.db2.gz FFDLDYZSZWJALE-ZCYQVOJMSA-N 2 1 466.718 4.842 20 0 JJADMP C[C@@H]1C[C@H](NC(=O)[C@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001457241317 1066797173 /nfs/dbraw/zinc/79/71/73/1066797173.db2.gz UQSKOFDCIZPBIX-XRODADMRSA-N 2 1 459.556 4.610 20 0 JJADMP C[C@@H]1C[C@H](NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001457241317 1066797180 /nfs/dbraw/zinc/79/71/80/1066797180.db2.gz UQSKOFDCIZPBIX-XRODADMRSA-N 2 1 459.556 4.610 20 0 JJADMP C[C@@H]1C[C@H](NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001457241317 1066797189 /nfs/dbraw/zinc/79/71/89/1066797189.db2.gz UQSKOFDCIZPBIX-XRODADMRSA-N 2 1 459.556 4.610 20 0 JJADMP Cc1cccc([C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)c1 ZINC001457396446 1066821890 /nfs/dbraw/zinc/82/18/90/1066821890.db2.gz XCNRUHWLAOJGFD-WUFINQPMSA-N 2 1 459.609 4.598 20 0 JJADMP Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)NCC[NH+](C)Cc2ccc(F)cc2)c1 ZINC001457396446 1066821899 /nfs/dbraw/zinc/82/18/99/1066821899.db2.gz XCNRUHWLAOJGFD-WUFINQPMSA-N 2 1 459.609 4.598 20 0 JJADMP Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)NCC[NH+](C)Cc2ccc(F)cc2)c1 ZINC001457396446 1066821910 /nfs/dbraw/zinc/82/19/10/1066821910.db2.gz XCNRUHWLAOJGFD-WUFINQPMSA-N 2 1 459.609 4.598 20 0 JJADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@H](C(C)C)[NH+](C)C)C2 ZINC001457717055 1066903886 /nfs/dbraw/zinc/90/38/86/1066903886.db2.gz VLYAVMZIGYBAEC-XMSQKQJNSA-N 2 1 451.442 4.676 20 0 JJADMP CC[C@H](c1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC001545751277 1067022890 /nfs/dbraw/zinc/02/28/90/1067022890.db2.gz BQZJPHWZGWMFFF-LOSJGSFVSA-N 2 1 466.718 4.861 20 0 JJADMP CC[C@H](c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@H]1[NH+](C)CCCC1(C)C)c1ccccc1 ZINC001545751277 1067022905 /nfs/dbraw/zinc/02/29/05/1067022905.db2.gz BQZJPHWZGWMFFF-LOSJGSFVSA-N 2 1 466.718 4.861 20 0 JJADMP CC[C@H](c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@H]1[NH+](C)CCCC1(C)C)c1ccccc1 ZINC001545751277 1067022919 /nfs/dbraw/zinc/02/29/19/1067022919.db2.gz BQZJPHWZGWMFFF-LOSJGSFVSA-N 2 1 466.718 4.861 20 0 JJADMP CC[C@H](c1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1CC[N@H+]1CCC[C@@H]1C)c1ccccc1 ZINC001545752493 1067028418 /nfs/dbraw/zinc/02/84/18/1067028418.db2.gz YITRVHYSTXNMJO-UPVQGACJSA-N 2 1 452.691 4.615 20 0 JJADMP CC[C@H](c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC[NH+]1CCC[C@@H]1C)c1ccccc1 ZINC001545752493 1067028433 /nfs/dbraw/zinc/02/84/33/1067028433.db2.gz YITRVHYSTXNMJO-UPVQGACJSA-N 2 1 452.691 4.615 20 0 JJADMP CC[C@H](c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC[NH+]1CCC[C@@H]1C)c1ccccc1 ZINC001545752493 1067028448 /nfs/dbraw/zinc/02/84/48/1067028448.db2.gz YITRVHYSTXNMJO-UPVQGACJSA-N 2 1 452.691 4.615 20 0 JJADMP CCC(CC)[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[N@H+]2CCCC[C@H]2C1)[NH+](C)C ZINC001545804778 1067116071 /nfs/dbraw/zinc/11/60/71/1067116071.db2.gz BHKRYHRQWYMZKL-PBXXJUDPSA-N 2 1 486.680 4.598 20 0 JJADMP CCC(CC)[C@H](Cn1c(CC2CCCC2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1)[NH+](C)C ZINC001545819419 1067154295 /nfs/dbraw/zinc/15/42/95/1067154295.db2.gz FLTLWNDCIUBKIY-BWKNWUBXSA-N 2 1 458.739 4.688 20 0 JJADMP CCC(CC)[C@H](Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C)[NH+](C)C ZINC001545820294 1067158538 /nfs/dbraw/zinc/15/85/38/1067158538.db2.gz VGKHSBYQUVRKLV-VJTSUQJLSA-N 2 1 482.717 4.513 20 0 JJADMP CCC(CC)[C@@H](Cn1c(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nnc1C(C)(C)C)[NH+](C)C ZINC001545820522 1067159905 /nfs/dbraw/zinc/15/99/05/1067159905.db2.gz YXJHXMGQTVLGOA-DNQXCXABSA-N 2 1 454.707 4.653 20 0 JJADMP CC(C)([C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC001458835087 1067163587 /nfs/dbraw/zinc/16/35/87/1067163587.db2.gz JCFPBMIHUMAPQJ-DHLKQENFSA-N 2 1 455.593 4.909 20 0 JJADMP CC(C)([C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC001458835093 1067163694 /nfs/dbraw/zinc/16/36/94/1067163694.db2.gz JCFPBMIHUMAPQJ-RDGATRHJSA-N 2 1 455.593 4.909 20 0 JJADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC([C@H](F)c3ccccc3F)CC2)CC1 ZINC001460087391 1067550815 /nfs/dbraw/zinc/55/08/15/1067550815.db2.gz ZSITZGICJSPDPF-MHZLTWQESA-N 2 1 455.593 4.591 20 0 JJADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC([C@H](F)c3ccccc3F)CC2)CC1 ZINC001460087391 1067550824 /nfs/dbraw/zinc/55/08/24/1067550824.db2.gz ZSITZGICJSPDPF-MHZLTWQESA-N 2 1 455.593 4.591 20 0 JJADMP CC(C)(C)OC(=O)NCCC[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC001460184124 1067573704 /nfs/dbraw/zinc/57/37/04/1067573704.db2.gz ITRLVIJJBGOTAO-VWLOTQADSA-N 2 1 453.627 4.655 20 0 JJADMP CSc1ccc(OC[C@H](O)C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001460538452 1067653189 /nfs/dbraw/zinc/65/31/89/1067653189.db2.gz CLAVRXOWCYNORN-ZEQKJWHPSA-N 2 1 454.680 4.771 20 0 JJADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]1C[NH+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001460620548 1067675294 /nfs/dbraw/zinc/67/52/94/1067675294.db2.gz SVDDJLBLNCBSDL-UFOWSGCLSA-N 2 1 455.646 4.713 20 0 JJADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001460620548 1067675297 /nfs/dbraw/zinc/67/52/97/1067675297.db2.gz SVDDJLBLNCBSDL-UFOWSGCLSA-N 2 1 455.646 4.713 20 0 JJADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001460620548 1067675300 /nfs/dbraw/zinc/67/53/00/1067675300.db2.gz SVDDJLBLNCBSDL-UFOWSGCLSA-N 2 1 455.646 4.713 20 0 JJADMP Cc1[nH+]ccn1CCCC[N@@H+]1Cc2ccccc2OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001460847103 1067734270 /nfs/dbraw/zinc/73/42/70/1067734270.db2.gz WEKYECQWBVTNDP-UHFFFAOYSA-N 2 1 454.615 4.636 20 0 JJADMP Cc1[nH+]ccn1CCCC[N@H+]1Cc2ccccc2OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001460847103 1067734274 /nfs/dbraw/zinc/73/42/74/1067734274.db2.gz WEKYECQWBVTNDP-UHFFFAOYSA-N 2 1 454.615 4.636 20 0 JJADMP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC001461062129 1067773605 /nfs/dbraw/zinc/77/36/05/1067773605.db2.gz MSKRQVODSAQHRY-UHFFFAOYSA-N 2 1 452.046 4.522 20 0 JJADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]Cc3cc(Cl)c4c(c3)OCCCO4)cc2)C[C@H]1C ZINC001461399315 1067846383 /nfs/dbraw/zinc/84/63/83/1067846383.db2.gz GTKVMTCMUHSKIL-BGYRXZFFSA-N 2 1 459.030 4.800 20 0 JJADMP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccc(N3CCC[C@@H](C(=O)OC(C)(C)C)C3)o2)n1 ZINC001461863003 1067949754 /nfs/dbraw/zinc/94/97/54/1067949754.db2.gz AFAIKXWHMPKGLU-NHCUHLMSSA-N 2 1 454.615 4.618 20 0 JJADMP CC[NH+]1CCN(c2cccc(N[C@@H]3CC[N@H+](C)[C@H](c4ccc(Br)cc4)C3)c2)CC1 ZINC001462122797 1068010222 /nfs/dbraw/zinc/01/02/22/1068010222.db2.gz AQVDTXFWFHHJON-VWNXMTODSA-N 2 1 457.460 4.838 20 0 JJADMP CC[NH+]1CCN(c2cccc(N[C@@H]3CC[N@@H+](C)[C@H](c4ccc(Br)cc4)C3)c2)CC1 ZINC001462122797 1068010237 /nfs/dbraw/zinc/01/02/37/1068010237.db2.gz AQVDTXFWFHHJON-VWNXMTODSA-N 2 1 457.460 4.838 20 0 JJADMP COc1cccc([C@@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)[NH+](C)C)c1 ZINC001463771837 1068519962 /nfs/dbraw/zinc/51/99/62/1068519962.db2.gz VSNBXCIVSCPQLD-ZGIBFIJWSA-N 2 1 471.645 4.638 20 0 JJADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC001464241964 1068671999 /nfs/dbraw/zinc/67/19/99/1068671999.db2.gz UYGVTGYGTNJYCJ-NRFANRHFSA-N 2 1 455.046 4.865 20 0 JJADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2sc(Nc3ccccc3)nc2s1 ZINC001464697642 1068828581 /nfs/dbraw/zinc/82/85/81/1068828581.db2.gz TUVQKIVDBWNYIX-SFHVURJKSA-N 2 1 457.669 4.590 20 0 JJADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)n1 ZINC001164414360 718881479 /nfs/dbraw/zinc/88/14/79/718881479.db2.gz SATAFTPSLWUNGB-MRXNPFEDSA-N 2 1 455.594 4.803 20 0 JJADMP [NH3+]C1([C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@@H]2CF)CC1 ZINC001164625390 719121317 /nfs/dbraw/zinc/12/13/17/719121317.db2.gz XFFFYGQORORSNQ-PZJWPPBQSA-N 2 1 465.642 4.857 20 0 JJADMP [NH3+]C1([C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@H]2CF)CC1 ZINC001164625383 719121362 /nfs/dbraw/zinc/12/13/62/719121362.db2.gz XFFFYGQORORSNQ-CTNGQTDRSA-N 2 1 465.642 4.857 20 0 JJADMP CC(C)[N@H+](C)Cc1nn(-c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)c2c1CC[NH2+]C2 ZINC001164680606 719638770 /nfs/dbraw/zinc/63/87/70/719638770.db2.gz YCRKLWBJEXCBBE-UHFFFAOYSA-N 2 1 495.606 4.898 20 0 JJADMP CC(C)[N@@H+](C)Cc1nn(-c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)c2c1CC[NH2+]C2 ZINC001164680606 719638778 /nfs/dbraw/zinc/63/87/78/719638778.db2.gz YCRKLWBJEXCBBE-UHFFFAOYSA-N 2 1 495.606 4.898 20 0 JJADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164843252 720604589 /nfs/dbraw/zinc/60/45/89/720604589.db2.gz XAYGBVJBVLGZBO-XPWALMASSA-N 2 1 495.741 4.724 20 0 JJADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164843252 720604591 /nfs/dbraw/zinc/60/45/91/720604591.db2.gz XAYGBVJBVLGZBO-XPWALMASSA-N 2 1 495.741 4.724 20 0 JJADMP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1[nH+]cnc3c1ccn3Cc1ccc(F)cc1)CC2 ZINC001164839826 720696007 /nfs/dbraw/zinc/69/60/07/720696007.db2.gz BYQJRZVEWXZBNT-VWLOTQADSA-N 2 1 485.607 4.879 20 0 JJADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1[nH+]cnc3c1ccn3Cc1ccc(F)cc1)CC2 ZINC001164839826 720696008 /nfs/dbraw/zinc/69/60/08/720696008.db2.gz BYQJRZVEWXZBNT-VWLOTQADSA-N 2 1 485.607 4.879 20 0 JJADMP FC1(F)CCN(c2[nH+]c(N3CCCC3)cc3ccccc32)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164910685 721726748 /nfs/dbraw/zinc/72/67/48/721726748.db2.gz HPYSZWDVWVLBDB-AREMUKBSSA-N 2 1 463.576 4.968 20 0 JJADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)nc1 ZINC001164913809 721734733 /nfs/dbraw/zinc/73/47/33/721734733.db2.gz XYJGWNNNEDCRHG-NOZRDPDXSA-N 2 1 455.597 4.761 20 0 JJADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164913809 721734741 /nfs/dbraw/zinc/73/47/41/721734741.db2.gz XYJGWNNNEDCRHG-NOZRDPDXSA-N 2 1 455.597 4.761 20 0 JJADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164913809 721734751 /nfs/dbraw/zinc/73/47/51/721734751.db2.gz XYJGWNNNEDCRHG-NOZRDPDXSA-N 2 1 455.597 4.761 20 0 JJADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c(n3)CC[NH+](Cc3ccccc3)C4)C[C@@H]21 ZINC001165017876 721807629 /nfs/dbraw/zinc/80/76/29/721807629.db2.gz BALLOCZUKUQJGB-PZFKOMAXSA-N 2 1 467.661 4.772 20 0 JJADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@@H]21 ZINC001165017876 721807630 /nfs/dbraw/zinc/80/76/30/721807630.db2.gz BALLOCZUKUQJGB-PZFKOMAXSA-N 2 1 467.661 4.772 20 0 JJADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@@H]21 ZINC001165017876 721807631 /nfs/dbraw/zinc/80/76/31/721807631.db2.gz BALLOCZUKUQJGB-PZFKOMAXSA-N 2 1 467.661 4.772 20 0 JJADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc5c(n4)CC[NH+](Cc4ccccc4)C5)CC3)C2)cc1 ZINC001164939824 721924473 /nfs/dbraw/zinc/92/44/73/721924473.db2.gz NTLYDSHTHCDJLS-UHFFFAOYSA-N 2 1 482.672 4.820 20 0 JJADMP Cc1ccc(C[NH+]2CCOC3(CCN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)CC3)C2)cc1 ZINC001164939824 721924476 /nfs/dbraw/zinc/92/44/76/721924476.db2.gz NTLYDSHTHCDJLS-UHFFFAOYSA-N 2 1 482.672 4.820 20 0 JJADMP Cc1ccc(C[NH+]2CCOC3(CCN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)CC3)C2)cc1 ZINC001164939824 721924480 /nfs/dbraw/zinc/92/44/80/721924480.db2.gz NTLYDSHTHCDJLS-UHFFFAOYSA-N 2 1 482.672 4.820 20 0 JJADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC001434923428 1064351988 /nfs/dbraw/zinc/35/19/88/1064351988.db2.gz YRMUDZWFKIUUMN-AOYPEHQESA-N 2 1 451.680 4.765 20 0 JJADMP CC(C)C[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[N@H+]2CCCC[C@H]2C1)[NH+](C)C ZINC001359766835 1064394441 /nfs/dbraw/zinc/39/44/41/1064394441.db2.gz VOKXXXPIIBWYBX-PMACEKPBSA-N 2 1 479.500 4.903 20 0 JJADMP CC(C)C[C@@H](Cn1c(C2CCCC2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC001359770017 1064400928 /nfs/dbraw/zinc/40/09/28/1064400928.db2.gz YBKHWQHLWPVODP-DHLKQENFSA-N 2 1 452.691 4.623 20 0 JJADMP CC(C)C[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[N@H+](C2CCCC2)CC1)[NH+](C)C ZINC001359770282 1064402054 /nfs/dbraw/zinc/40/20/54/1064402054.db2.gz CGVQIWIWEWCBQT-VWLOTQADSA-N 2 1 487.136 4.953 20 0 JJADMP CC(C)Cc1nnc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001359777368 1064421296 /nfs/dbraw/zinc/42/12/96/1064421296.db2.gz HZOLPOWXPOFUPN-AZGAKELHSA-N 2 1 466.718 4.842 20 0 JJADMP CC(C)Cc1nnc(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001359777366 1064421379 /nfs/dbraw/zinc/42/13/79/1064421379.db2.gz HZOLPOWXPOFUPN-AHWVRZQESA-N 2 1 466.718 4.842 20 0 JJADMP CC(C)Cc1nnc(N2CC[C@H](C)[NH+](Cc3ccccc3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001359802480 1064470504 /nfs/dbraw/zinc/47/05/04/1064470504.db2.gz PEERANYGSQRZTI-DEOSSOPVSA-N 2 1 466.718 4.699 20 0 JJADMP CC(C)Cc1nnc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)n1CC[NH+]1CCCC(C)(C)C1 ZINC001359802480 1064470517 /nfs/dbraw/zinc/47/05/17/1064470517.db2.gz PEERANYGSQRZTI-DEOSSOPVSA-N 2 1 466.718 4.699 20 0 JJADMP CC(C)Cc1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1CC[NH+]1CCCC(C)(C)C1 ZINC001359802480 1064470526 /nfs/dbraw/zinc/47/05/26/1064470526.db2.gz PEERANYGSQRZTI-DEOSSOPVSA-N 2 1 466.718 4.699 20 0 JJADMP CC(C)Cc1nnc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001359807733 1064478112 /nfs/dbraw/zinc/47/81/12/1064478112.db2.gz BUIMHZMYWFURBI-HSZRJFAPSA-N 2 1 458.739 4.832 20 0 JJADMP CC(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001359833351 1064518382 /nfs/dbraw/zinc/51/83/82/1064518382.db2.gz WSBBHJYABOQACK-RPWUZVMVSA-N 2 1 458.739 4.545 20 0 JJADMP CC(C)Cc1nnc(N2CCC[NH+](Cc3ccc(F)cc3)CC2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001359841455 1064528503 /nfs/dbraw/zinc/52/85/03/1064528503.db2.gz OYFDKOABZALQFS-DEOSSOPVSA-N 2 1 484.708 4.983 20 0 JJADMP CC(C)Cc1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1CCCC[NH+]1CCCC[C@@H]1C ZINC001359841455 1064528523 /nfs/dbraw/zinc/52/85/23/1064528523.db2.gz OYFDKOABZALQFS-DEOSSOPVSA-N 2 1 484.708 4.983 20 0 JJADMP CC(C)Cc1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1CCCC[NH+]1CCCC[C@@H]1C ZINC001359841455 1064528538 /nfs/dbraw/zinc/52/85/38/1064528538.db2.gz OYFDKOABZALQFS-DEOSSOPVSA-N 2 1 484.708 4.983 20 0 JJADMP 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 1064547887 /nfs/dbraw/zinc/54/78/87/1064547887.db2.gz AJUPEXZOHZWREH-CCDWMCETSA-N 2 1 480.745 4.944 20 0 JJADMP CC(C)Cc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001359860682 1064550132 /nfs/dbraw/zinc/55/01/32/1064550132.db2.gz KZGQOPPAUTXNMK-FMGHJNRGSA-N 2 1 466.718 4.698 20 0 JJADMP CC(C)Cc1nnc(N2CC[NH+](Cc3ccccc3)C[C@@H]2C)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001359861315 1064551452 /nfs/dbraw/zinc/55/14/52/1064551452.db2.gz RCFBIMVGLYNSFV-AHWVRZQESA-N 2 1 466.718 4.555 20 0 JJADMP CC(C)Cc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@H]1CCC[NH+](CC(C)C)C1 ZINC001359861315 1064551466 /nfs/dbraw/zinc/55/14/66/1064551466.db2.gz RCFBIMVGLYNSFV-AHWVRZQESA-N 2 1 466.718 4.555 20 0 JJADMP CC(C)Cc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@H]1CCC[NH+](CC(C)C)C1 ZINC001359861315 1064551485 /nfs/dbraw/zinc/55/14/85/1064551485.db2.gz RCFBIMVGLYNSFV-AHWVRZQESA-N 2 1 466.718 4.555 20 0 JJADMP CC(C)C[N@H+]1CCC[C@@H](Cn2c(N3CC[C@@H]([NH+](C)Cc4ccccc4)C3)nnc2C(C)(C)C)C1 ZINC001360012814 1064811262 /nfs/dbraw/zinc/81/12/62/1064811262.db2.gz WSISUXOTCUTMEC-JWQCQUIFSA-N 2 1 466.718 4.654 20 0 JJADMP CC(C)C[NH+]1CCC[C@@H](Cn2c(N3CC[C@@H]([N@H+](C)Cc4ccccc4)C3)nnc2C(C)(C)C)C1 ZINC001360012814 1064811271 /nfs/dbraw/zinc/81/12/71/1064811271.db2.gz WSISUXOTCUTMEC-JWQCQUIFSA-N 2 1 466.718 4.654 20 0 JJADMP CC(C)C[NH+]1CCC[C@@H](Cn2c(N3CC[C@@H]([N@@H+](C)Cc4ccccc4)C3)nnc2C(C)(C)C)C1 ZINC001360012814 1064811287 /nfs/dbraw/zinc/81/12/87/1064811287.db2.gz WSISUXOTCUTMEC-JWQCQUIFSA-N 2 1 466.718 4.654 20 0 JJADMP CC(C)C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001360014445 1064812837 /nfs/dbraw/zinc/81/28/37/1064812837.db2.gz KBBLGBBAKVMOEF-RUZDIDTESA-N 2 1 466.718 4.656 20 0 JJADMP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC001360032282 1064834602 /nfs/dbraw/zinc/83/46/02/1064834602.db2.gz LSTPTEBYXDDAFW-UHFFFAOYSA-N 2 1 451.561 4.801 20 0 JJADMP Cc1ccccc1C[NH+]1CCN(c2nnc(CC(C)C)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001492596886 1064901134 /nfs/dbraw/zinc/90/11/34/1064901134.db2.gz XASIUUZOTJLHMC-PLQXJYEYSA-N 2 1 480.745 4.865 20 0 JJADMP CC(C)[N@@H+](C)Cc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001360092667 1064962754 /nfs/dbraw/zinc/96/27/54/1064962754.db2.gz NYWKADIDRPSZDW-VWLOTQADSA-N 2 1 466.718 4.820 20 0 JJADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCC[NH+](C(C)C)C2)CC1 ZINC001360096052 1064971671 /nfs/dbraw/zinc/97/16/71/1064971671.db2.gz VVZZJELNMVKXAJ-DEOSSOPVSA-N 2 1 472.747 4.607 20 0 JJADMP CC(C)[NH+](C)CC1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001360096052 1064971684 /nfs/dbraw/zinc/97/16/84/1064971684.db2.gz VVZZJELNMVKXAJ-DEOSSOPVSA-N 2 1 472.747 4.607 20 0 JJADMP CC(C)[NH+](C)CC1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001360096052 1064971689 /nfs/dbraw/zinc/97/16/89/1064971689.db2.gz VVZZJELNMVKXAJ-DEOSSOPVSA-N 2 1 472.747 4.607 20 0 JJADMP CC(C)[N@@H+](C)CCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001360097844 1064976372 /nfs/dbraw/zinc/97/63/72/1064976372.db2.gz SAGHMKVAKPMQKM-UHFFFAOYSA-N 2 1 463.674 4.534 20 0 JJADMP CC(C)[NH+](C)CCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001360097844 1064976388 /nfs/dbraw/zinc/97/63/88/1064976388.db2.gz SAGHMKVAKPMQKM-UHFFFAOYSA-N 2 1 463.674 4.534 20 0 JJADMP CC(C)[NH+](C)CCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001360097844 1064976405 /nfs/dbraw/zinc/97/64/05/1064976405.db2.gz SAGHMKVAKPMQKM-UHFFFAOYSA-N 2 1 463.674 4.534 20 0 JJADMP CC(C)[N@@H+](C)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001360097871 1064976431 /nfs/dbraw/zinc/97/64/31/1064976431.db2.gz SOBILNAGAVXMGY-UHFFFAOYSA-N 2 1 459.082 4.784 20 0 JJADMP CC(C)[NH+](C)CC1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCC[N@H+](C)C(C)C)CC1 ZINC001360100693 1064980135 /nfs/dbraw/zinc/98/01/35/1064980135.db2.gz SIHSSIUAOKGVIN-UHFFFAOYSA-N 2 1 465.690 4.713 20 0 JJADMP CC(C)[NH+](C)CCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001360100693 1064980148 /nfs/dbraw/zinc/98/01/48/1064980148.db2.gz SIHSSIUAOKGVIN-UHFFFAOYSA-N 2 1 465.690 4.713 20 0 JJADMP CC(C)[NH+](C)CCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001360100693 1064980160 /nfs/dbraw/zinc/98/01/60/1064980160.db2.gz SIHSSIUAOKGVIN-UHFFFAOYSA-N 2 1 465.690 4.713 20 0 JJADMP CC(C)[N@@H+](C)CCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001360103524 1064983339 /nfs/dbraw/zinc/98/33/39/1064983339.db2.gz OOHVGJUHIZYTNM-UHFFFAOYSA-N 2 1 479.138 4.875 20 0 JJADMP CC(C)[NH+](C)CCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001360103524 1064983347 /nfs/dbraw/zinc/98/33/47/1064983347.db2.gz OOHVGJUHIZYTNM-UHFFFAOYSA-N 2 1 479.138 4.875 20 0 JJADMP CC(C)[NH+](C)CCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001360103524 1064983357 /nfs/dbraw/zinc/98/33/57/1064983357.db2.gz OOHVGJUHIZYTNM-UHFFFAOYSA-N 2 1 479.138 4.875 20 0 JJADMP CC(C)[N@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001360106477 1064988265 /nfs/dbraw/zinc/98/82/65/1064988265.db2.gz DONPIWZPIRSERC-LJQANCHMSA-N 2 1 473.090 4.883 20 0 JJADMP CC(C)[N@@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001360106477 1064988277 /nfs/dbraw/zinc/98/82/77/1064988277.db2.gz DONPIWZPIRSERC-LJQANCHMSA-N 2 1 473.090 4.883 20 0 JJADMP CC(C)[NH+](CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[N@H+]2CCCC[C@H]2C1)C(C)C ZINC001360126389 1065020365 /nfs/dbraw/zinc/02/03/65/1065020365.db2.gz PSJVVYWBFFZPKL-DEOSSOPVSA-N 2 1 473.109 4.706 20 0 JJADMP CC(C)[NH+](CCCn1c(CCc2ccccc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)C(C)C ZINC001360126858 1065021254 /nfs/dbraw/zinc/02/12/54/1065021254.db2.gz XFOUPPOVTOFDKY-UHFFFAOYSA-N 2 1 468.734 4.883 20 0 JJADMP CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[NH+]2CCCC(C)(C)C2)CC1 ZINC001360143584 1065044397 /nfs/dbraw/zinc/04/43/97/1065044397.db2.gz ITZWXVUUVUJIGC-UHFFFAOYSA-N 2 1 477.072 4.780 20 0 JJADMP CC(C)[NH+]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001360143584 1065044415 /nfs/dbraw/zinc/04/44/15/1065044415.db2.gz ITZWXVUUVUJIGC-UHFFFAOYSA-N 2 1 477.072 4.780 20 0 JJADMP CC(C)[NH+]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001360143584 1065044426 /nfs/dbraw/zinc/04/44/26/1065044426.db2.gz ITZWXVUUVUJIGC-UHFFFAOYSA-N 2 1 477.072 4.780 20 0 JJADMP CC(C)[N@H+]1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2CCC[NH+]2CCCC2)CC1 ZINC001360147110 1065049300 /nfs/dbraw/zinc/04/93/00/1065049300.db2.gz IJCHEXVUIYJURF-UHFFFAOYSA-N 2 1 477.122 4.630 20 0 JJADMP CC(C)[NH2+]C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001360305518 1065140690 /nfs/dbraw/zinc/14/06/90/1065140690.db2.gz TWDGYDWBOFJDGJ-UHFFFAOYSA-N 2 1 459.082 4.687 20 0 JJADMP CC(C)[NH2+]C1CCN(c2nnc(Cc3ccsc3)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001360309667 1065145951 /nfs/dbraw/zinc/14/59/51/1065145951.db2.gz IFTBSLQBEXTLIU-OAQYLSRUSA-N 2 1 458.720 4.552 20 0 JJADMP C[C@H](c1ccsc1)[NH+]1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001360466458 1065378129 /nfs/dbraw/zinc/37/81/29/1065378129.db2.gz DSNIXQALXKYMAM-JOCHJYFZSA-N 2 1 480.726 4.596 20 0 JJADMP C[C@H](c1ccsc1)[NH+]1CCN(c2nnc(CC(C)(C)C)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001360468149 1065384063 /nfs/dbraw/zinc/38/40/63/1065384063.db2.gz YWCWFMFAUPWVLG-OAQYLSRUSA-N 2 1 472.747 4.933 20 0 JJADMP C[C@H](c1ccsc1)[NH+]1CCN(c2nnc(CC(C)(C)C)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001360468149 1065384072 /nfs/dbraw/zinc/38/40/72/1065384072.db2.gz YWCWFMFAUPWVLG-OAQYLSRUSA-N 2 1 472.747 4.933 20 0 JJADMP C[C@H](CCn1c(CC(C)(C)C)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC001360510449 1065454441 /nfs/dbraw/zinc/45/44/41/1065454441.db2.gz KWVHVPXACZHARO-XMMPIXPASA-N 2 1 466.718 4.844 20 0 JJADMP C[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)[NH+](C)C1CC1 ZINC001360583376 1065580798 /nfs/dbraw/zinc/58/07/98/1065580798.db2.gz CDRVYHKTRRSSJL-QFIPXVFZSA-N 2 1 496.744 4.948 20 0 JJADMP C[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[NH+](C(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001360583376 1065580808 /nfs/dbraw/zinc/58/08/08/1065580808.db2.gz CDRVYHKTRRSSJL-QFIPXVFZSA-N 2 1 496.744 4.948 20 0 JJADMP C[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[NH+](C(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001360583376 1065580815 /nfs/dbraw/zinc/58/08/15/1065580815.db2.gz CDRVYHKTRRSSJL-QFIPXVFZSA-N 2 1 496.744 4.948 20 0 JJADMP C[NH+](C)CCCOc1cccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)c1 ZINC001360590041 1065594414 /nfs/dbraw/zinc/59/44/14/1065594414.db2.gz YGDXUZZRTQMLGC-JWQCQUIFSA-N 2 1 463.647 4.933 20 0 JJADMP C[C@@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[N@H+](C(C)(C)C)CC1)C[NH+]1CCCC1 ZINC001360592597 1065601872 /nfs/dbraw/zinc/60/18/72/1065601872.db2.gz YORYFIGTYJSXDU-FGZHOGPDSA-N 2 1 486.680 4.600 20 0 JJADMP C[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)C[NH+]1CCCCC1 ZINC001360598390 1065617427 /nfs/dbraw/zinc/61/74/27/1065617427.db2.gz ANGGBUXBZUPPFS-JOCHJYFZSA-N 2 1 487.136 4.955 20 0 JJADMP CC(C)[N@H+]1CCCN(c2nnc(Cc3ccsc3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001360645387 1065720441 /nfs/dbraw/zinc/72/04/41/1065720441.db2.gz IJVUVXDMTLLAKP-JOCHJYFZSA-N 2 1 480.726 4.980 20 0 JJADMP Cc1nc(-c2ccccc2)sc1-c1nnc(N2CC[NH+](CC(C)C)CC2)n1CCC[N@@H+](C)C(C)C ZINC001360910440 1066066496 /nfs/dbraw/zinc/06/64/96/1066066496.db2.gz GOYGYNUVDNWQMM-UHFFFAOYSA-N 2 1 495.741 4.885 20 0 JJADMP 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 1066109443 /nfs/dbraw/zinc/10/94/43/1066109443.db2.gz XCESGAXZLOQMJR-BMOHHQGPSA-N 2 1 461.694 4.949 20 0 JJADMP Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)n2CC[N@H+](C)C(C)C)c1 ZINC001361032624 1066246985 /nfs/dbraw/zinc/24/69/85/1066246985.db2.gz STXVAJDYMREOKG-SANMLTNESA-N 2 1 496.744 4.762 20 0 JJADMP Cc1cc(C)cc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC[NH+]2CCCC(C)(C)C2)c1 ZINC001361034999 1066252428 /nfs/dbraw/zinc/25/24/28/1066252428.db2.gz MEWFKVHIXXAOFX-UHFFFAOYSA-N 2 1 482.717 4.516 20 0 JJADMP Cc1cc(C)cc(OCc2nnc(N3CCC[NH+](C(C)C)CC3)n2CC[N@@H+]2CCCC(C)(C)C2)c1 ZINC001361034999 1066252444 /nfs/dbraw/zinc/25/24/44/1066252444.db2.gz MEWFKVHIXXAOFX-UHFFFAOYSA-N 2 1 482.717 4.516 20 0 JJADMP Cc1cc(C)cc(OCc2nnc(N3CCC[NH+](C(C)C)CC3)n2CC[N@H+]2CCCC(C)(C)C2)c1 ZINC001361034999 1066252457 /nfs/dbraw/zinc/25/24/57/1066252457.db2.gz MEWFKVHIXXAOFX-UHFFFAOYSA-N 2 1 482.717 4.516 20 0 JJADMP Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H](F)C[NH+](Cc3ccccc3)Cc3ccccc3)C2)c1 ZINC001454308022 1066267908 /nfs/dbraw/zinc/26/79/08/1066267908.db2.gz DKQZMYNPYDXOJO-VSGBNLITSA-N 2 1 459.609 4.726 20 0 JJADMP Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)[C@H](F)C[NH+](Cc3ccccc3)Cc3ccccc3)C2)c1 ZINC001454308022 1066267913 /nfs/dbraw/zinc/26/79/13/1066267913.db2.gz DKQZMYNPYDXOJO-VSGBNLITSA-N 2 1 459.609 4.726 20 0 JJADMP CC[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[N@H+](C(C)C)CC1)[NH+]1CCCC1 ZINC001545961207 1066351631 /nfs/dbraw/zinc/35/16/31/1066351631.db2.gz QUCSMLQPJCVTEA-JOCHJYFZSA-N 2 1 489.506 4.503 20 0 JJADMP Cc1[nH+]ccn1CCCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001492704721 1066863874 /nfs/dbraw/zinc/86/38/74/1066863874.db2.gz LLSIOAAVSKWHED-DEOSSOPVSA-N 2 1 469.722 4.800 20 0 JJADMP Cc1[nH+]ccn1CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001492705393 1066864640 /nfs/dbraw/zinc/86/46/40/1066864640.db2.gz DUEUDHMGIBBLEL-UHFFFAOYSA-N 2 1 485.080 4.537 20 0 JJADMP Cc1[nH+]ccn1CCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001492707265 1066870738 /nfs/dbraw/zinc/87/07/38/1066870738.db2.gz PVKFIUJOUJZOFA-UHFFFAOYSA-N 2 1 456.038 4.504 20 0 JJADMP Cc1[nH+]ccn1CCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001492707265 1066870743 /nfs/dbraw/zinc/87/07/43/1066870743.db2.gz PVKFIUJOUJZOFA-UHFFFAOYSA-N 2 1 456.038 4.504 20 0 JJADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@@H](C(C)C)[NH+](C)C)C2 ZINC001457717045 1066903775 /nfs/dbraw/zinc/90/37/75/1066903775.db2.gz VLYAVMZIGYBAEC-GCJKJVERSA-N 2 1 451.442 4.676 20 0 JJADMP CC[C@H](c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1CCCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC001545758288 1067036614 /nfs/dbraw/zinc/03/66/14/1067036614.db2.gz DMCONNLBRXEONK-AHWVRZQESA-N 2 1 466.718 4.863 20 0 JJADMP CC[C@@H](c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1CC1([NH+](C)C)CCCCC1)c1ccccc1 ZINC001545758413 1067037296 /nfs/dbraw/zinc/03/72/96/1067037296.db2.gz GSTSANMXHYERRQ-LADGPHEKSA-N 2 1 452.691 4.615 20 0 JJADMP CCC(CC)[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CC[N@@H+](CC)[C@H](C)C1)[NH+](C)C ZINC001545805014 1067118299 /nfs/dbraw/zinc/11/82/99/1067118299.db2.gz GKVOLMLBPARXRG-GCJKJVERSA-N 2 1 491.522 4.604 20 0 JJADMP CCC(CC)[C@@H](Cn1c(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nnc1C(C)(C)C)[NH+](C)C ZINC001545820521 1067159980 /nfs/dbraw/zinc/15/99/80/1067159980.db2.gz YXJHXMGQTVLGOA-BJKOFHAPSA-N 2 1 454.707 4.653 20 0 JJADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001459609473 1067362594 /nfs/dbraw/zinc/36/25/94/1067362594.db2.gz MPQQSNBQSWICFK-MBSDFSHPSA-N 2 1 451.438 4.734 20 0 JJADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001459609473 1067362606 /nfs/dbraw/zinc/36/26/06/1067362606.db2.gz MPQQSNBQSWICFK-MBSDFSHPSA-N 2 1 451.438 4.734 20 0 JJADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001459609473 1067362617 /nfs/dbraw/zinc/36/26/17/1067362617.db2.gz MPQQSNBQSWICFK-MBSDFSHPSA-N 2 1 451.438 4.734 20 0 JJADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H](CC(C)(C)C)c3ccc(F)cc3)CC2)cc1 ZINC001459830827 1067443688 /nfs/dbraw/zinc/44/36/88/1067443688.db2.gz MOILUQGKOQTRSK-VWLOTQADSA-N 2 1 455.618 4.636 20 0 JJADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H](CC(C)(C)C)c3ccc(F)cc3)CC2)cc1 ZINC001459830827 1067443696 /nfs/dbraw/zinc/44/36/96/1067443696.db2.gz MOILUQGKOQTRSK-VWLOTQADSA-N 2 1 455.618 4.636 20 0 JJADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H](CC(C)C)c3ccc(Cl)cc3)CC2)cc1 ZINC001459841250 1067448629 /nfs/dbraw/zinc/44/86/29/1067448629.db2.gz DYMRTXPNSWSTOU-VWLOTQADSA-N 2 1 458.046 4.760 20 0 JJADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H](CC(C)C)c3ccc(Cl)cc3)CC2)cc1 ZINC001459841250 1067448633 /nfs/dbraw/zinc/44/86/33/1067448633.db2.gz DYMRTXPNSWSTOU-VWLOTQADSA-N 2 1 458.046 4.760 20 0 JJADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(CSc2ccccn2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001459928311 1067495356 /nfs/dbraw/zinc/49/53/56/1067495356.db2.gz ZEWZERDDIINCGQ-URVUXULASA-N 2 1 452.668 4.944 20 0 JJADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(CSc2ccccn2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001459928311 1067495362 /nfs/dbraw/zinc/49/53/62/1067495362.db2.gz ZEWZERDDIINCGQ-URVUXULASA-N 2 1 452.668 4.944 20 0 JJADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)CCc3cc(Cl)c4c(c3)OCCCO4)cc2)C[C@H](C)O1 ZINC001460319291 1067606808 /nfs/dbraw/zinc/60/68/08/1067606808.db2.gz VLBDGRMHZLSOAX-BGYRXZFFSA-N 2 1 459.030 4.785 20 0 JJADMP CSc1ccc(OC[C@@H](O)C[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001460538446 1067653225 /nfs/dbraw/zinc/65/32/25/1067653225.db2.gz CLAVRXOWCYNORN-OZXSUGGESA-N 2 1 454.680 4.771 20 0 JJADMP Brc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1OCc1ccccc1 ZINC001461198307 1067797934 /nfs/dbraw/zinc/79/79/34/1067797934.db2.gz UMMMWZOGBNFSLZ-QFIPXVFZSA-N 2 1 459.428 4.761 20 0 JJADMP CCC[N@H+](Cc1ccccc1)Cc1ccc(NC(=O)C2CC[NH+](Cc3nccn3C)CC2)cc1 ZINC001461240117 1067807605 /nfs/dbraw/zinc/80/76/05/1067807605.db2.gz UUIUDDGWDRBJRE-UHFFFAOYSA-N 2 1 459.638 4.683 20 0 JJADMP CCC[N@@H+](Cc1ccccc1)Cc1ccc(NC(=O)C2CC[NH+](Cc3nccn3C)CC2)cc1 ZINC001461240117 1067807617 /nfs/dbraw/zinc/80/76/17/1067807617.db2.gz UUIUDDGWDRBJRE-UHFFFAOYSA-N 2 1 459.638 4.683 20 0 JJADMP COc1ccc(C[C@@](C)(O)C[NH2+]C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC001462312002 1068048778 /nfs/dbraw/zinc/04/87/78/1068048778.db2.gz ZFHKUWUZEHKJIS-IZLXSDGUSA-N 2 1 454.655 4.525 20 0 JJADMP COc1ccc(C[C@](C)(O)C[NH2+]C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC001462312014 1068049180 /nfs/dbraw/zinc/04/91/80/1068049180.db2.gz ZFHKUWUZEHKJIS-WUFINQPMSA-N 2 1 454.655 4.525 20 0 JJADMP COc1ccc(C[C@](C)(O)C[NH2+]C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC001462312005 1068049308 /nfs/dbraw/zinc/04/93/08/1068049308.db2.gz ZFHKUWUZEHKJIS-NSOVKSMOSA-N 2 1 454.655 4.525 20 0 JJADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCC5(CC[NH2+]CC5)[C@H]4C(F)(F)F)c32)C1 ZINC001164389348 718815337 /nfs/dbraw/zinc/81/53/37/718815337.db2.gz VJZKCAVCXCRVKI-HJPURHCSSA-N 2 1 493.643 4.923 20 0 JJADMP FC(F)(F)[C@@H]1CCC2(CC[NH2+]CC2)N1c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164413266 718881313 /nfs/dbraw/zinc/88/13/13/718881313.db2.gz GAAFHBWOPNLNCA-SFHVURJKSA-N 2 1 479.616 4.819 20 0 JJADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@]4(C[NH2+]C[C@H]4c4ccccc4)C3)c2c1C ZINC001164621956 719047526 /nfs/dbraw/zinc/04/75/26/719047526.db2.gz KJLJXEGSQWBQNR-CUNXSJBXSA-N 2 1 461.679 4.878 20 0 JJADMP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164707757 719908598 /nfs/dbraw/zinc/90/85/98/719908598.db2.gz XNCZFDUFBXORQK-UHFFFAOYSA-N 2 1 495.039 4.590 20 0 JJADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]c(N3CCCC3)cc3ccccc31)CC2 ZINC001164714863 720144702 /nfs/dbraw/zinc/14/47/02/720144702.db2.gz ZXRKIFJOYHYXOX-RUZDIDTESA-N 2 1 471.649 4.738 20 0 JJADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@@H](COC)[NH+](Cc4ccccn4)C3)CC2)nc1 ZINC001164713548 720153395 /nfs/dbraw/zinc/15/33/95/720153395.db2.gz RUPZJRKSXLIVPG-UIOOFZCWSA-N 2 1 463.670 4.531 20 0 JJADMP CC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164713548 720153401 /nfs/dbraw/zinc/15/34/01/720153401.db2.gz RUPZJRKSXLIVPG-UIOOFZCWSA-N 2 1 463.670 4.531 20 0 JJADMP CC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164713548 720153407 /nfs/dbraw/zinc/15/34/07/720153407.db2.gz RUPZJRKSXLIVPG-UIOOFZCWSA-N 2 1 463.670 4.531 20 0 JJADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)C[NH+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164747910 720931667 /nfs/dbraw/zinc/93/16/67/720931667.db2.gz DQNSWQPSAQYXNJ-MUPNOLHXSA-N 2 1 489.708 4.779 20 0 JJADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164747910 720931674 /nfs/dbraw/zinc/93/16/74/720931674.db2.gz DQNSWQPSAQYXNJ-MUPNOLHXSA-N 2 1 489.708 4.779 20 0 JJADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164747910 720931680 /nfs/dbraw/zinc/93/16/80/720931680.db2.gz DQNSWQPSAQYXNJ-MUPNOLHXSA-N 2 1 489.708 4.779 20 0 JJADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@@H](COCC4CC4)[NH+](CCOC)C3)CC2)nc1 ZINC001164791262 721471721 /nfs/dbraw/zinc/47/17/21/721471721.db2.gz WETIEQRDGPPDHB-SVBPBHIXSA-N 2 1 484.729 4.753 20 0 JJADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nc1 ZINC001164791262 721471724 /nfs/dbraw/zinc/47/17/24/721471724.db2.gz WETIEQRDGPPDHB-SVBPBHIXSA-N 2 1 484.729 4.753 20 0 JJADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)nc1 ZINC001164791262 721471727 /nfs/dbraw/zinc/47/17/27/721471727.db2.gz WETIEQRDGPPDHB-SVBPBHIXSA-N 2 1 484.729 4.753 20 0 JJADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3[nH+]cnc4c3ccn4Cc3cccc(F)c3)C[C@H]21 ZINC001165022581 721814315 /nfs/dbraw/zinc/81/43/15/721814315.db2.gz FZCFNUBTIOAEFG-RMUDUWAUSA-N 2 1 470.596 4.751 20 0 JJADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3[nH+]cnc4c3ccn4Cc3cccc(F)c3)C[C@H]21 ZINC001165022581 721814316 /nfs/dbraw/zinc/81/43/16/721814316.db2.gz FZCFNUBTIOAEFG-RMUDUWAUSA-N 2 1 470.596 4.751 20 0 JJADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@@H]4CCCO[C@H]34)c2c1C ZINC001164958815 722051148 /nfs/dbraw/zinc/05/11/48/722051148.db2.gz GWONTMDLHPHMOK-BKSPAHHJSA-N 2 1 492.693 4.594 20 0 JJADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)COCC[NH+](Cc2ccncc2)C3)nc1 ZINC001164963723 722062112 /nfs/dbraw/zinc/06/21/12/722062112.db2.gz CKFHCRSEBUMASD-SANMLTNESA-N 2 1 463.670 4.533 20 0 JJADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1 ZINC001164963723 722062114 /nfs/dbraw/zinc/06/21/14/722062114.db2.gz CKFHCRSEBUMASD-SANMLTNESA-N 2 1 463.670 4.533 20 0 JJADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1 ZINC001164963723 722062116 /nfs/dbraw/zinc/06/21/16/722062116.db2.gz CKFHCRSEBUMASD-SANMLTNESA-N 2 1 463.670 4.533 20 0 JJADMP CCC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2Cl)CC1 ZINC001434880231 1064312419 /nfs/dbraw/zinc/31/24/19/1064312419.db2.gz DRKDWEKYUNBVEU-QFIPXVFZSA-N 2 1 455.046 4.723 20 0 JJADMP CC(C)C[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)[NH+](C)C ZINC001359766838 1064394531 /nfs/dbraw/zinc/39/45/31/1064394531.db2.gz VOKXXXPIIBWYBX-WOJBJXKFSA-N 2 1 479.500 4.903 20 0 JJADMP CC(C)Cc1nnc(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1C[C@H]1[NH+](C)CCCC1(C)C ZINC001359778080 1064422843 /nfs/dbraw/zinc/42/28/43/1064422843.db2.gz YJFNYFNICMTVNJ-LOSJGSFVSA-N 2 1 466.718 4.698 20 0 JJADMP CC(C)Cc1nnc(N(C)[C@H]2CCC[NH+](Cc3ccccc3)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001359778080 1064422851 /nfs/dbraw/zinc/42/28/51/1064422851.db2.gz YJFNYFNICMTVNJ-LOSJGSFVSA-N 2 1 466.718 4.698 20 0 JJADMP CC(C)Cc1nnc(N(C)[C@H]2CCC[NH+](Cc3ccccc3)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001359778080 1064422857 /nfs/dbraw/zinc/42/28/57/1064422857.db2.gz YJFNYFNICMTVNJ-LOSJGSFVSA-N 2 1 466.718 4.698 20 0 JJADMP CC(C)Cc1nnc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1C[C@H]1[NH+](C)CCCC1(C)C ZINC001359778079 1064422942 /nfs/dbraw/zinc/42/29/42/1064422942.db2.gz YJFNYFNICMTVNJ-JWQCQUIFSA-N 2 1 466.718 4.698 20 0 JJADMP CC(C)Cc1nnc(N(C)[C@@H]2CCC[NH+](Cc3ccccc3)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001359778079 1064422949 /nfs/dbraw/zinc/42/29/49/1064422949.db2.gz YJFNYFNICMTVNJ-JWQCQUIFSA-N 2 1 466.718 4.698 20 0 JJADMP CC(C)Cc1nnc(N(C)[C@@H]2CCC[NH+](Cc3ccccc3)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001359778079 1064422952 /nfs/dbraw/zinc/42/29/52/1064422952.db2.gz YJFNYFNICMTVNJ-JWQCQUIFSA-N 2 1 466.718 4.698 20 0 JJADMP CC(C)Cc1nnc(N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001359784290 1064436984 /nfs/dbraw/zinc/43/69/84/1064436984.db2.gz XJVMEYITPIWGSR-RUZDIDTESA-N 2 1 466.718 4.699 20 0 JJADMP CC(C)Cc1nnc(N2CC[C@H](C)[NH+](Cc3ccccc3)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001359802803 1064471407 /nfs/dbraw/zinc/47/14/07/1064471407.db2.gz WGIYDUGOFIGUDO-UKILVPOCSA-N 2 1 466.718 4.698 20 0 JJADMP CC(C)Cc1nnc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)n1C[C@H]1[NH+](C)CCCC1(C)C ZINC001359802803 1064471421 /nfs/dbraw/zinc/47/14/21/1064471421.db2.gz WGIYDUGOFIGUDO-UKILVPOCSA-N 2 1 466.718 4.698 20 0 JJADMP CC(C)Cc1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1C[C@H]1[NH+](C)CCCC1(C)C ZINC001359802803 1064471431 /nfs/dbraw/zinc/47/14/31/1064471431.db2.gz WGIYDUGOFIGUDO-UKILVPOCSA-N 2 1 466.718 4.698 20 0 JJADMP CC(C)Cc1nnc(N2CC[C@@H](C)[NH+](Cc3ccccc3)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001359802801 1064471485 /nfs/dbraw/zinc/47/14/85/1064471485.db2.gz WGIYDUGOFIGUDO-ILBGXUMGSA-N 2 1 466.718 4.698 20 0 JJADMP CC(C)Cc1nnc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)n1C[C@H]1[NH+](C)CCCC1(C)C ZINC001359802801 1064471490 /nfs/dbraw/zinc/47/14/90/1064471490.db2.gz WGIYDUGOFIGUDO-ILBGXUMGSA-N 2 1 466.718 4.698 20 0 JJADMP CC(C)Cc1nnc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1C[C@H]1[NH+](C)CCCC1(C)C ZINC001359802801 1064471496 /nfs/dbraw/zinc/47/14/96/1064471496.db2.gz WGIYDUGOFIGUDO-ILBGXUMGSA-N 2 1 466.718 4.698 20 0 JJADMP 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 1064547791 /nfs/dbraw/zinc/54/77/91/1064547791.db2.gz AJUPEXZOHZWREH-DSNGMDLFSA-N 2 1 480.745 4.944 20 0 JJADMP CC(C)Cc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1CC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001359859591 1064547803 /nfs/dbraw/zinc/54/78/03/1064547803.db2.gz AJUPEXZOHZWREH-DSNGMDLFSA-N 2 1 480.745 4.944 20 0 JJADMP CC(C)Cc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1CC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001359859591 1064547815 /nfs/dbraw/zinc/54/78/15/1064547815.db2.gz AJUPEXZOHZWREH-DSNGMDLFSA-N 2 1 480.745 4.944 20 0 JJADMP CC(C)Cc1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359859757 1064548114 /nfs/dbraw/zinc/54/81/14/1064548114.db2.gz DKUILYDZERFCFF-SZPZYZBQSA-N 2 1 472.747 4.617 20 0 JJADMP CC(C)Cc1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359859757 1064548130 /nfs/dbraw/zinc/54/81/30/1064548130.db2.gz DKUILYDZERFCFF-SZPZYZBQSA-N 2 1 472.747 4.617 20 0 JJADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[NH+]2CCCC(C)(C)C2)CC1 ZINC001360092296 1064960884 /nfs/dbraw/zinc/96/08/84/1064960884.db2.gz AFLVGQGXEPVPAW-UHFFFAOYSA-N 2 1 488.124 4.672 20 0 JJADMP CC(C)[NH+](C)CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001360092296 1064960896 /nfs/dbraw/zinc/96/08/96/1064960896.db2.gz AFLVGQGXEPVPAW-UHFFFAOYSA-N 2 1 488.124 4.672 20 0 JJADMP CC(C)[NH+](C)CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001360092296 1064960905 /nfs/dbraw/zinc/96/09/05/1064960905.db2.gz AFLVGQGXEPVPAW-UHFFFAOYSA-N 2 1 488.124 4.672 20 0 JJADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cccnc3)n2CCCC[NH+]2CCCC[C@H]2C)CC1 ZINC001360094990 1064967747 /nfs/dbraw/zinc/96/77/47/1064967747.db2.gz SBMWIBHXINUXLY-HSZRJFAPSA-N 2 1 467.706 4.551 20 0 JJADMP CC(C)[NH+](C)CC1CCN(c2nnc(-c3cccnc3)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001360094990 1064967762 /nfs/dbraw/zinc/96/77/62/1064967762.db2.gz SBMWIBHXINUXLY-HSZRJFAPSA-N 2 1 467.706 4.551 20 0 JJADMP CC(C)[NH+](C)CC1CCN(c2nnc(-c3cccnc3)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001360094990 1064967772 /nfs/dbraw/zinc/96/77/72/1064967772.db2.gz SBMWIBHXINUXLY-HSZRJFAPSA-N 2 1 467.706 4.551 20 0 JJADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001360095890 1064971513 /nfs/dbraw/zinc/97/15/13/1064971513.db2.gz SQXAIPWCJQHVAB-UHFFFAOYSA-N 2 1 475.125 4.667 20 0 JJADMP CC(C)[N@@H+](C)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001360104268 1064985715 /nfs/dbraw/zinc/98/57/15/1064985715.db2.gz OVOKPLPEBUJTRT-UHFFFAOYSA-N 2 1 458.720 4.536 20 0 JJADMP CC(C)[NH+](CCCn1c(-c2cccnc2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)C(C)C ZINC001360125635 1065018393 /nfs/dbraw/zinc/01/83/93/1065018393.db2.gz QQSCNCHGOUTCRG-UHFFFAOYSA-N 2 1 493.675 4.700 20 0 JJADMP CC(C)[NH+](CCCn1c(Cc2ccccc2F)nnc1N1CCC[N@H+](C2CCCC2)CC1)C(C)C ZINC001360126047 1065019377 /nfs/dbraw/zinc/01/93/77/1065019377.db2.gz FALCTHVLZCTFTO-UHFFFAOYSA-N 2 1 484.708 4.972 20 0 JJADMP CC(C)[N@H+]1CCCN(c2nnc(CCCc3ccccc3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001360147448 1065050256 /nfs/dbraw/zinc/05/02/56/1065050256.db2.gz WPUZRBJUONYDPL-HHHXNRCGSA-N 2 1 480.745 4.884 20 0 JJADMP CC(C)[NH+]1CCN(c2nnc(-c3ccccc3Br)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001360150084 1065053609 /nfs/dbraw/zinc/05/36/09/1065053609.db2.gz PEFXBZLQQXTYER-FQEVSTJZSA-N 2 1 489.506 4.503 20 0 JJADMP CC(C)[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC001360152434 1065055795 /nfs/dbraw/zinc/05/57/95/1065055795.db2.gz LEDXIMBRAWDANM-NFBKMPQASA-N 2 1 458.720 4.542 20 0 JJADMP 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 1065093341 /nfs/dbraw/zinc/09/33/41/1065093341.db2.gz PSWKKQLBBIIURM-CAKYRVLISA-N 2 1 480.672 4.549 20 0 JJADMP CC(C)[NH2+]C1CCN(c2nnc(-c3ccccc3Cl)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001360307254 1065142715 /nfs/dbraw/zinc/14/27/15/1065142715.db2.gz SGEMWSJAOYLFQP-HXUWFJFHSA-N 2 1 459.082 4.830 20 0 JJADMP C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001360466460 1065378792 /nfs/dbraw/zinc/37/87/92/1065378792.db2.gz DSNIXQALXKYMAM-QFIPXVFZSA-N 2 1 480.726 4.596 20 0 JJADMP C[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001360537151 1065520535 /nfs/dbraw/zinc/52/05/35/1065520535.db2.gz XUYNBVKNUKRAKQ-LJQANCHMSA-N 2 1 459.082 4.639 20 0 JJADMP CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001360597176 1065612856 /nfs/dbraw/zinc/61/28/56/1065612856.db2.gz MKKAKMCOKSELJM-OAQYLSRUSA-N 2 1 459.082 4.641 20 0 JJADMP CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001360597175 1065612985 /nfs/dbraw/zinc/61/29/85/1065612985.db2.gz MKKAKMCOKSELJM-NRFANRHFSA-N 2 1 459.082 4.641 20 0 JJADMP C[C@H](Cn1c(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)nnc1C(C)(C)C)C[NH+]1CCCCC1 ZINC001360603653 1065628676 /nfs/dbraw/zinc/62/86/76/1065628676.db2.gz WHUKVTUOWWTLFG-ZEQRLZLVSA-N 2 1 466.718 4.798 20 0 JJADMP C[C@H](Cn1c(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)nnc1C(C)(C)C)C[NH+]1CCCCC1 ZINC001360603647 1065628797 /nfs/dbraw/zinc/62/87/97/1065628797.db2.gz WHUKVTUOWWTLFG-BJKOFHAPSA-N 2 1 466.718 4.798 20 0 JJADMP CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCC2)CC1 ZINC001360769510 1065861899 /nfs/dbraw/zinc/86/18/99/1065861899.db2.gz JSBRLQXGDFYEDS-NRFANRHFSA-N 2 1 486.680 4.598 20 0 JJADMP CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCC2)CC1 ZINC001360769511 1065862018 /nfs/dbraw/zinc/86/20/18/1065862018.db2.gz JSBRLQXGDFYEDS-OAQYLSRUSA-N 2 1 486.680 4.598 20 0 JJADMP COc1ccccc1[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CC(C)C)[NH+]1CCCC1 ZINC001440386197 1065936005 /nfs/dbraw/zinc/93/60/05/1065936005.db2.gz JIIQFBAHSALKNM-IEUSDUHPSA-N 2 1 463.666 4.743 20 0 JJADMP CCc1ccc([C@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)[NH+](C)C)cc1 ZINC001440672021 1065961674 /nfs/dbraw/zinc/96/16/74/1065961674.db2.gz LLFWBRNAAKHASJ-CYXNTTPDSA-N 2 1 461.675 4.945 20 0 JJADMP Cc1cccc(O[C@H](C)c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC[N@@H+](C)C2CCCC2)c1C ZINC001360875052 1066016537 /nfs/dbraw/zinc/01/65/37/1066016537.db2.gz XFEHNXGGUQRUMO-HSZRJFAPSA-N 2 1 482.717 4.876 20 0 JJADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC001360996407 1066175150 /nfs/dbraw/zinc/17/51/50/1066175150.db2.gz JEUCDAZUHSUIAY-TYBLODHISA-N 2 1 455.668 4.814 20 0 JJADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001360996407 1066175153 /nfs/dbraw/zinc/17/51/53/1066175153.db2.gz JEUCDAZUHSUIAY-TYBLODHISA-N 2 1 455.668 4.814 20 0 JJADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001360996407 1066175156 /nfs/dbraw/zinc/17/51/56/1066175156.db2.gz JEUCDAZUHSUIAY-TYBLODHISA-N 2 1 455.668 4.814 20 0 JJADMP CC1(C)C[N@@H+](Cc2ccccc2)C(C)(C)CN1C(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC001454116256 1066247087 /nfs/dbraw/zinc/24/70/87/1066247087.db2.gz ITFFVJLUEFMWMW-DEOSSOPVSA-N 2 1 451.630 4.939 20 0 JJADMP CC1(C)C[NH+](Cc2ccccc2)C(C)(C)CN1C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001454116256 1066247101 /nfs/dbraw/zinc/24/71/01/1066247101.db2.gz ITFFVJLUEFMWMW-DEOSSOPVSA-N 2 1 451.630 4.939 20 0 JJADMP CC1(C)C[NH+](Cc2ccccc2)C(C)(C)CN1C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001454116256 1066247114 /nfs/dbraw/zinc/24/71/14/1066247114.db2.gz ITFFVJLUEFMWMW-DEOSSOPVSA-N 2 1 451.630 4.939 20 0 JJADMP Cc1cc(C)cc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC001361034966 1066251773 /nfs/dbraw/zinc/25/17/73/1066251773.db2.gz LEOCNAWSWYGWEC-VWLOTQADSA-N 2 1 482.717 4.515 20 0 JJADMP Cc1ccc(C(C)C)c(OCc2nnc(N3CC[NH+]4CCCC[C@H]4C3)n2CCC[N@H+](C)C(C)C)c1 ZINC001361131113 1066397575 /nfs/dbraw/zinc/39/75/75/1066397575.db2.gz YNTBJEQCWOOGQD-DEOSSOPVSA-N 2 1 482.717 4.694 20 0 JJADMP Cc1ccc(C(C)C)c(OCc2nnc(N3CC[N@@H+]4CCCC[C@H]4C3)n2CCC[NH+](C)C(C)C)c1 ZINC001361131113 1066397591 /nfs/dbraw/zinc/39/75/91/1066397591.db2.gz YNTBJEQCWOOGQD-DEOSSOPVSA-N 2 1 482.717 4.694 20 0 JJADMP Cc1ccc(C(C)C)c(OCc2nnc(N3CC[N@H+]4CCCC[C@H]4C3)n2CCC[NH+](C)C(C)C)c1 ZINC001361131113 1066397609 /nfs/dbraw/zinc/39/76/09/1066397609.db2.gz YNTBJEQCWOOGQD-DEOSSOPVSA-N 2 1 482.717 4.694 20 0 JJADMP Cc1ccc(C(C)C)c(OCc2nnc(N3CC[NH+]4CCCC[C@@H]4C3)n2CCC[N@H+](C)C(C)C)c1 ZINC001361131114 1066397672 /nfs/dbraw/zinc/39/76/72/1066397672.db2.gz YNTBJEQCWOOGQD-XMMPIXPASA-N 2 1 482.717 4.694 20 0 JJADMP Cc1ccc(C(C)C)c(OCc2nnc(N3CC[N@@H+]4CCCC[C@@H]4C3)n2CCC[NH+](C)C(C)C)c1 ZINC001361131114 1066397689 /nfs/dbraw/zinc/39/76/89/1066397689.db2.gz YNTBJEQCWOOGQD-XMMPIXPASA-N 2 1 482.717 4.694 20 0 JJADMP Cc1ccc(C(C)C)c(OCc2nnc(N3CC[N@H+]4CCCC[C@@H]4C3)n2CCC[NH+](C)C(C)C)c1 ZINC001361131114 1066397702 /nfs/dbraw/zinc/39/77/02/1066397702.db2.gz YNTBJEQCWOOGQD-XMMPIXPASA-N 2 1 482.717 4.694 20 0 JJADMP Cc1ccc(C)c(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC[N@H+]2CCCC(C)(C)C2)c1 ZINC001361160398 1066466579 /nfs/dbraw/zinc/46/65/79/1066466579.db2.gz YSXLSNKRISPFLN-UHFFFAOYSA-N 2 1 482.717 4.516 20 0 JJADMP C[C@@H](c1ccc(NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)cc1)[NH+]1CCOCC1 ZINC001456158958 1066525581 /nfs/dbraw/zinc/52/55/81/1066525581.db2.gz XOOMEDKHPKDMPT-VXKWHMMOSA-N 2 1 451.611 4.585 20 0 JJADMP C[C@@H](c1ccc(NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)cc1)[NH+]1CCOCC1 ZINC001456158958 1066525594 /nfs/dbraw/zinc/52/55/94/1066525594.db2.gz XOOMEDKHPKDMPT-VXKWHMMOSA-N 2 1 451.611 4.585 20 0 JJADMP Cc1ccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@@H](c2ccccc2)[NH+](C)C)o1 ZINC001361205063 1066535894 /nfs/dbraw/zinc/53/58/94/1066535894.db2.gz BJGGSJJVIAKXIY-DEOSSOPVSA-N 2 1 464.658 4.706 20 0 JJADMP CC[C@@H](Cn1c(CC(C)C)nnc1N1CCC([NH+](CC)CC)CC1)[N@H+]1CCc2ccccc2C1 ZINC001545995431 1066805697 /nfs/dbraw/zinc/80/56/97/1066805697.db2.gz SBYQNJWMOCZIQH-VWLOTQADSA-N 2 1 466.718 4.624 20 0 JJADMP Cc1[nH+]ccn1CCCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001492704722 1066863838 /nfs/dbraw/zinc/86/38/38/1066863838.db2.gz LLSIOAAVSKWHED-XMMPIXPASA-N 2 1 469.722 4.800 20 0 JJADMP Cc1[nH+]ccn1CCCn1c(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nnc1C(C)(C)C ZINC001492709892 1066874673 /nfs/dbraw/zinc/87/46/73/1066874673.db2.gz XBLWLXBFGARIGJ-URXFXBBRSA-N 2 1 463.674 4.660 20 0 JJADMP Cc1[nH+]ccn1CCCn1c(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nnc1C(C)(C)C ZINC001492709892 1066874683 /nfs/dbraw/zinc/87/46/83/1066874683.db2.gz XBLWLXBFGARIGJ-URXFXBBRSA-N 2 1 463.674 4.660 20 0 JJADMP Cc1[nH+]ccn1CCn1c(CC(C)(C)C)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001492710834 1066877052 /nfs/dbraw/zinc/87/70/52/1066877052.db2.gz DCQOYJGIEBOYFT-XUZZJYLKSA-N 2 1 463.674 4.561 20 0 JJADMP Cc1[nH+]ccn1CCn1c(CC(C)(C)C)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001492710834 1066877059 /nfs/dbraw/zinc/87/70/59/1066877059.db2.gz DCQOYJGIEBOYFT-XUZZJYLKSA-N 2 1 463.674 4.561 20 0 JJADMP C[NH+](C)[C@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cccc(C(F)(F)F)c1 ZINC001448059175 1066894757 /nfs/dbraw/zinc/89/47/57/1066894757.db2.gz BZFZQDAEIYVSHB-DHIUTWEWSA-N 2 1 459.556 4.727 20 0 JJADMP Cc1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001492805128 1066954259 /nfs/dbraw/zinc/95/42/59/1066954259.db2.gz ZVQHAHANNDWRAU-CJFMBICVSA-N 2 1 456.654 4.509 20 0 JJADMP 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 1066993765 /nfs/dbraw/zinc/99/37/65/1066993765.db2.gz ZMMNUMNKHMKQMW-OPBMBUAESA-N 2 1 454.707 4.715 20 0 JJADMP CC[C@H](Cn1c(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001546014392 1067009932 /nfs/dbraw/zinc/00/99/32/1067009932.db2.gz HXMZYSLMPLFVEU-LADGPHEKSA-N 2 1 458.739 4.931 20 0 JJADMP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)CC1 ZINC001449578693 1067015644 /nfs/dbraw/zinc/01/56/44/1067015644.db2.gz WDKIDDIERZRSGB-IZZNHLLZSA-N 2 1 462.682 4.656 20 0 JJADMP CC[C@@H](c1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC001545752367 1067027638 /nfs/dbraw/zinc/02/76/38/1067027638.db2.gz WCFIZMYLNGRKLD-KYPHJKQUSA-N 2 1 466.718 4.861 20 0 JJADMP CC[C@@H](c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@H](C)[NH+]1CCC[C@H](C)C1)c1ccccc1 ZINC001545752367 1067027652 /nfs/dbraw/zinc/02/76/52/1067027652.db2.gz WCFIZMYLNGRKLD-KYPHJKQUSA-N 2 1 466.718 4.861 20 0 JJADMP CC[C@@H](c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@H](C)[NH+]1CCC[C@H](C)C1)c1ccccc1 ZINC001545752367 1067027667 /nfs/dbraw/zinc/02/76/67/1067027667.db2.gz WCFIZMYLNGRKLD-KYPHJKQUSA-N 2 1 466.718 4.861 20 0 JJADMP CC[C@H](c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1CC1([NH+](C)C)CCCCC1)c1ccccc1 ZINC001545758414 1067037338 /nfs/dbraw/zinc/03/73/38/1067037338.db2.gz GSTSANMXHYERRQ-UPVQGACJSA-N 2 1 452.691 4.615 20 0 JJADMP CCC(CC)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[N@H+]2CCCC[C@H]2C1)[NH+](C)C ZINC001545805774 1067121554 /nfs/dbraw/zinc/12/15/54/1067121554.db2.gz RWSXWSPKZCDTNC-GOTSBHOMSA-N 2 1 459.082 4.639 20 0 JJADMP CCC(CC)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)[NH+](C)C ZINC001545805773 1067121711 /nfs/dbraw/zinc/12/17/11/1067121711.db2.gz RWSXWSPKZCDTNC-DHIUTWEWSA-N 2 1 459.082 4.639 20 0 JJADMP CCC(CC)[C@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[N@H+](C(C)C)CC1)[NH+](C)C ZINC001545809627 1067136264 /nfs/dbraw/zinc/13/62/64/1067136264.db2.gz HRHFVROUHZQATA-SANMLTNESA-N 2 1 479.717 4.724 20 0 JJADMP CCC(CC)[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1)[NH+](C)C ZINC001545810472 1067138073 /nfs/dbraw/zinc/13/80/73/1067138073.db2.gz XCUQEHZGQOCYCE-GBXCKJPGSA-N 2 1 483.730 4.595 20 0 JJADMP CCC(CC)[C@@H](Cn1c(CC2CCCC2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1)[NH+](C)C ZINC001545819421 1067154282 /nfs/dbraw/zinc/15/42/82/1067154282.db2.gz FLTLWNDCIUBKIY-PXDATVDWSA-N 2 1 458.739 4.688 20 0 JJADMP C[C@@H]1CN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCC2(F)F)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001452769578 1067250838 /nfs/dbraw/zinc/25/08/38/1067250838.db2.gz JFGSUEPBQZHDDA-WTEVXDJOSA-N 2 1 455.593 4.654 20 0 JJADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)[C@H](C)[C@H](C)[NH+]1Cc1ccccc1 ZINC001452769578 1067250843 /nfs/dbraw/zinc/25/08/43/1067250843.db2.gz JFGSUEPBQZHDDA-WTEVXDJOSA-N 2 1 455.593 4.654 20 0 JJADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)[C@H](C)[C@H](C)[NH+]1Cc1ccccc1 ZINC001452769578 1067250846 /nfs/dbraw/zinc/25/08/46/1067250846.db2.gz JFGSUEPBQZHDDA-WTEVXDJOSA-N 2 1 455.593 4.654 20 0 JJADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001459668522 1067377368 /nfs/dbraw/zinc/37/73/68/1067377368.db2.gz HMSZZOBXECLLPW-OAQYLSRUSA-N 2 1 451.659 4.794 20 0 JJADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H](CC(C)(C)C)c3ccc(F)cc3)CC2)cc1 ZINC001459830824 1067443763 /nfs/dbraw/zinc/44/37/63/1067443763.db2.gz MOILUQGKOQTRSK-RUZDIDTESA-N 2 1 455.618 4.636 20 0 JJADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H](CC(C)(C)C)c3ccc(F)cc3)CC2)cc1 ZINC001459830824 1067443766 /nfs/dbraw/zinc/44/37/66/1067443766.db2.gz MOILUQGKOQTRSK-RUZDIDTESA-N 2 1 455.618 4.636 20 0 JJADMP C[N@@H+](Cc1ccccc1)C[C@@H](C[NH2+][C@@H](CO)c1ccc(Br)cc1)c1ccccc1 ZINC001460184438 1067573876 /nfs/dbraw/zinc/57/38/76/1067573876.db2.gz XVJXWNVQCBCEPW-NOZRDPDXSA-N 2 1 453.424 4.988 20 0 JJADMP C[N@H+](Cc1ccccc1)C[C@@H](C[NH2+][C@@H](CO)c1ccc(Br)cc1)c1ccccc1 ZINC001460184438 1067573882 /nfs/dbraw/zinc/57/38/82/1067573882.db2.gz XVJXWNVQCBCEPW-NOZRDPDXSA-N 2 1 453.424 4.988 20 0 JJADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CC[C@H](c4cccc(Cl)c4)C3(C)C)cc2)CC1 ZINC001460723786 1067709714 /nfs/dbraw/zinc/70/97/14/1067709714.db2.gz FCEULAWDJXRMFB-XMMPIXPASA-N 2 1 455.046 4.689 20 0 JJADMP Ic1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC001461382484 1067843421 /nfs/dbraw/zinc/84/34/21/1067843421.db2.gz NKEMKAZPBPNCDM-NZSAHSFTSA-N 2 1 452.405 4.743 20 0 JJADMP COc1cc(Br)c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1OC ZINC001461665425 1067913332 /nfs/dbraw/zinc/91/33/32/1067913332.db2.gz UGFXKMIMAUMFDW-HXUWFJFHSA-N 2 1 459.428 4.858 20 0 JJADMP COc1cc(Br)c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1OC ZINC001461665425 1067913337 /nfs/dbraw/zinc/91/33/37/1067913337.db2.gz UGFXKMIMAUMFDW-HXUWFJFHSA-N 2 1 459.428 4.858 20 0 JJADMP CC(C)(C)OC(=O)N[C@@H](C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)CC(F)(F)F ZINC001461965165 1067970393 /nfs/dbraw/zinc/97/03/93/1067970393.db2.gz NRBALPUUFWCLNR-HXUWFJFHSA-N 2 1 455.565 4.820 20 0 JJADMP CC(C)(C)[C@@]1(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)CC[NH+](Cc2ccccc2)C1 ZINC001462015406 1067981365 /nfs/dbraw/zinc/98/13/65/1067981365.db2.gz SOUJIFYEQNLGIM-MUUNZHRXSA-N 2 1 451.630 4.912 20 0 JJADMP CC(C)(C)[C@@]1(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)CC[NH+](Cc2ccccc2)C1 ZINC001462015406 1067981369 /nfs/dbraw/zinc/98/13/69/1067981369.db2.gz SOUJIFYEQNLGIM-MUUNZHRXSA-N 2 1 451.630 4.912 20 0 JJADMP CC(C)(C)[C@@]1(C[NH+]2CCCN(C(=O)c3cccc(F)c3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001462015406 1067981374 /nfs/dbraw/zinc/98/13/74/1067981374.db2.gz SOUJIFYEQNLGIM-MUUNZHRXSA-N 2 1 451.630 4.912 20 0 JJADMP CC(C)(C)[C@@]1(C[NH+]2CCCN(C(=O)c3cccc(F)c3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001462015406 1067981377 /nfs/dbraw/zinc/98/13/77/1067981377.db2.gz SOUJIFYEQNLGIM-MUUNZHRXSA-N 2 1 451.630 4.912 20 0 JJADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(OC)cc1)c1ccccc1 ZINC001462102485 1068003447 /nfs/dbraw/zinc/00/34/47/1068003447.db2.gz BMXVVQCGAGEAFW-ZGIBFIJWSA-N 2 1 471.645 4.863 20 0 JJADMP CC[NH+]1CCN(c2cccc(N[C@H]3CC[N@H+](C)[C@H](c4ccc(Br)cc4)C3)c2)CC1 ZINC001462122795 1068010156 /nfs/dbraw/zinc/01/01/56/1068010156.db2.gz AQVDTXFWFHHJON-UPVQGACJSA-N 2 1 457.460 4.838 20 0 JJADMP CC[NH+]1CCN(c2cccc(N[C@H]3CC[N@@H+](C)[C@H](c4ccc(Br)cc4)C3)c2)CC1 ZINC001462122795 1068010169 /nfs/dbraw/zinc/01/01/69/1068010169.db2.gz AQVDTXFWFHHJON-UPVQGACJSA-N 2 1 457.460 4.838 20 0 JJADMP CNC(=O)[C@H](C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)Cc1ccc(C(F)(F)F)cc1 ZINC001462406076 1068067038 /nfs/dbraw/zinc/06/70/38/1068067038.db2.gz AWQQHHGOLDFTPF-FJIJXJHWSA-N 2 1 459.556 4.568 20 0 JJADMP CNC(=O)[C@H](C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)Cc1ccc(C(F)(F)F)cc1 ZINC001462406076 1068067048 /nfs/dbraw/zinc/06/70/48/1068067048.db2.gz AWQQHHGOLDFTPF-FJIJXJHWSA-N 2 1 459.556 4.568 20 0 JJADMP CCc1ccc([C@@H](NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)c2cccc(F)c2)cc1 ZINC001464014606 1068589385 /nfs/dbraw/zinc/58/93/85/1068589385.db2.gz IXQCRMRTYYQQLY-HHHXNRCGSA-N 2 1 451.630 4.790 20 0 JJADMP CC(C)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)c(Cl)c2)C1 ZINC001464453591 1068752027 /nfs/dbraw/zinc/75/20/27/1068752027.db2.gz REUNRFMVLAAAFC-QFIPXVFZSA-N 2 1 455.046 4.721 20 0 JJADMP CC(C)[N@H+]1CCC[C@H](C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)c(Cl)c2)C1 ZINC001464453591 1068752034 /nfs/dbraw/zinc/75/20/34/1068752034.db2.gz REUNRFMVLAAAFC-QFIPXVFZSA-N 2 1 455.046 4.721 20 0 JJADMP CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3CCC(F)(C[NH3+])CC3)n2)CC1 ZINC001164389396 718813324 /nfs/dbraw/zinc/81/33/24/718813324.db2.gz VWQDSAVDBQOKJQ-UHFFFAOYSA-N 2 1 459.660 4.919 20 0 JJADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCC5(CC[NH2+]CC5)[C@H]4C(F)(F)F)c32)C1 ZINC001164389350 718815494 /nfs/dbraw/zinc/81/54/94/718815494.db2.gz VJZKCAVCXCRVKI-MWTRTKDXSA-N 2 1 493.643 4.923 20 0 JJADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)n1 ZINC001164388215 718815541 /nfs/dbraw/zinc/81/55/41/718815541.db2.gz NJXDXLXDAXDWGV-QFIPXVFZSA-N 2 1 475.584 4.931 20 0 JJADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC4(CC[NH2+]CC4)[C@@H]3C(F)(F)F)c2c1C ZINC001164389340 718815574 /nfs/dbraw/zinc/81/55/74/718815574.db2.gz VEUBHLGHLPLZQR-OAQYLSRUSA-N 2 1 467.605 4.805 20 0 JJADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N([C@H]2CCC23CC[NH2+]CC3)S(=O)(=O)c2ccccc2)nc1 ZINC001164688592 719592617 /nfs/dbraw/zinc/59/26/17/719592617.db2.gz YBDTXBMVNUFRJN-DQEYMECFSA-N 2 1 482.694 4.746 20 0 JJADMP CC(C)[N@H+](C)Cc1nn(-c2nc(-c3cccs3)nc3sc4c(c32)CCC4)c2c1CC[NH2+]C2 ZINC001164680235 719641751 /nfs/dbraw/zinc/64/17/51/719641751.db2.gz SWTRACDRIPHQAZ-UHFFFAOYSA-N 2 1 464.664 4.580 20 0 JJADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(-c3cccs3)nc3sc4c(c32)CCC4)c2c1CC[NH2+]C2 ZINC001164680235 719641768 /nfs/dbraw/zinc/64/17/68/719641768.db2.gz SWTRACDRIPHQAZ-UHFFFAOYSA-N 2 1 464.664 4.580 20 0 JJADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3c(n1)CC[NH+](Cc1ccccc1)C3)CC2 ZINC001164719496 720108588 /nfs/dbraw/zinc/10/85/88/720108588.db2.gz XNIGZZRYXSOAAF-MUUNZHRXSA-N 2 1 497.687 4.542 20 0 JJADMP COC[C@H]1CC2(C[NH+]1Cc1ccccn1)CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164719496 720108598 /nfs/dbraw/zinc/10/85/98/720108598.db2.gz XNIGZZRYXSOAAF-MUUNZHRXSA-N 2 1 497.687 4.542 20 0 JJADMP COC[C@H]1CC2(C[NH+]1Cc1ccccn1)CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164719496 720108613 /nfs/dbraw/zinc/10/86/13/720108613.db2.gz XNIGZZRYXSOAAF-MUUNZHRXSA-N 2 1 497.687 4.542 20 0 JJADMP c1cn(C2CCCC2)c2nc[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164757446 720893228 /nfs/dbraw/zinc/89/32/28/720893228.db2.gz USUYSICRRVVRTL-PWUYWRBVSA-N 2 1 486.664 4.697 20 0 JJADMP c1cn(C2CCCC2)c2nc[nH+]c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164757446 720893229 /nfs/dbraw/zinc/89/32/29/720893229.db2.gz USUYSICRRVVRTL-PWUYWRBVSA-N 2 1 486.664 4.697 20 0 JJADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)C[NH+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164747913 720931245 /nfs/dbraw/zinc/93/12/45/720931245.db2.gz DQNSWQPSAQYXNJ-PKZQBKLLSA-N 2 1 489.708 4.779 20 0 JJADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164747913 720931248 /nfs/dbraw/zinc/93/12/48/720931248.db2.gz DQNSWQPSAQYXNJ-PKZQBKLLSA-N 2 1 489.708 4.779 20 0 JJADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164747913 720931252 /nfs/dbraw/zinc/93/12/52/720931252.db2.gz DQNSWQPSAQYXNJ-PKZQBKLLSA-N 2 1 489.708 4.779 20 0 JJADMP Cc1cccc(N(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164777412 721329892 /nfs/dbraw/zinc/32/98/92/721329892.db2.gz MZTLFIAWPOVMNI-UHSQPCAPSA-N 2 1 454.618 4.607 20 0 JJADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C2)COCC[NH+](Cc2c(C)noc2C)C3)nc1 ZINC001164785321 721373123 /nfs/dbraw/zinc/37/31/23/721373123.db2.gz RBZKOJGFYSIZKZ-IAPPQJPRSA-N 2 1 481.685 4.742 20 0 JJADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164785321 721373125 /nfs/dbraw/zinc/37/31/25/721373125.db2.gz RBZKOJGFYSIZKZ-IAPPQJPRSA-N 2 1 481.685 4.742 20 0 JJADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164785321 721373129 /nfs/dbraw/zinc/37/31/29/721373129.db2.gz RBZKOJGFYSIZKZ-IAPPQJPRSA-N 2 1 481.685 4.742 20 0 JJADMP FC1(F)CCN(c2ccc3c(n2)CC[NH+](Cc2ccccc2)C3)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906124 721696714 /nfs/dbraw/zinc/69/67/14/721696714.db2.gz LQOJYUVBRSIVHS-MUUNZHRXSA-N 2 1 489.614 4.773 20 0 JJADMP FC1(F)CCN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001164906124 721696717 /nfs/dbraw/zinc/69/67/17/721696717.db2.gz LQOJYUVBRSIVHS-MUUNZHRXSA-N 2 1 489.614 4.773 20 0 JJADMP FC1(F)CCN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001164906124 721696719 /nfs/dbraw/zinc/69/67/19/721696719.db2.gz LQOJYUVBRSIVHS-MUUNZHRXSA-N 2 1 489.614 4.773 20 0 JJADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)nc1 ZINC001164913811 721734176 /nfs/dbraw/zinc/73/41/76/721734176.db2.gz XYJGWNNNEDCRHG-ZCYQVOJMSA-N 2 1 455.597 4.761 20 0 JJADMP CC[NH+]1CCCC[C@H]1c1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164913811 721734181 /nfs/dbraw/zinc/73/41/81/721734181.db2.gz XYJGWNNNEDCRHG-ZCYQVOJMSA-N 2 1 455.597 4.761 20 0 JJADMP CC[NH+]1CCCC[C@H]1c1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164913811 721734185 /nfs/dbraw/zinc/73/41/85/721734185.db2.gz XYJGWNNNEDCRHG-ZCYQVOJMSA-N 2 1 455.597 4.761 20 0 JJADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3[nH+]cnc4c3ccn4Cc3ccc(F)cc3)C[C@@H]21 ZINC001165029005 721814837 /nfs/dbraw/zinc/81/48/37/721814837.db2.gz YPHSXYUJYIJSLO-OUIFVKKZSA-N 2 1 470.596 4.751 20 0 JJADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3[nH+]cnc4c3ccn4Cc3ccc(F)cc3)C[C@@H]21 ZINC001165029005 721814838 /nfs/dbraw/zinc/81/48/38/721814838.db2.gz YPHSXYUJYIJSLO-OUIFVKKZSA-N 2 1 470.596 4.751 20 0 JJADMP CC(C)C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC001359770924 1064402860 /nfs/dbraw/zinc/40/28/60/1064402860.db2.gz NMJAXLSMFBTDNE-UPVQGACJSA-N 2 1 454.707 4.554 20 0 JJADMP CC(C)C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1)[NH+](C)C ZINC001359771452 1064405182 /nfs/dbraw/zinc/40/51/82/1064405182.db2.gz XNOIRMSDNHXPLJ-SQJMNOBHSA-N 2 1 498.716 4.929 20 0 JJADMP CC(C)Cc1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001359833349 1064518510 /nfs/dbraw/zinc/51/85/10/1064518510.db2.gz WSBBHJYABOQACK-BJKOFHAPSA-N 2 1 458.739 4.545 20 0 JJADMP CC(C)Cc1nnc(N2CCC[NH+](Cc3ccc(F)cc3)CC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001359841456 1064528401 /nfs/dbraw/zinc/52/84/01/1064528401.db2.gz OYFDKOABZALQFS-XMMPIXPASA-N 2 1 484.708 4.983 20 0 JJADMP CC(C)Cc1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1CCCC[NH+]1CCCC[C@H]1C ZINC001359841456 1064528411 /nfs/dbraw/zinc/52/84/11/1064528411.db2.gz OYFDKOABZALQFS-XMMPIXPASA-N 2 1 484.708 4.983 20 0 JJADMP CC(C)Cc1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1CCCC[NH+]1CCCC[C@H]1C ZINC001359841456 1064528432 /nfs/dbraw/zinc/52/84/32/1064528432.db2.gz OYFDKOABZALQFS-XMMPIXPASA-N 2 1 484.708 4.983 20 0 JJADMP CC(C)Cc1nnc(N2CC[NH+](Cc3ccccc3)C[C@@H]2C)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001359861317 1064551189 /nfs/dbraw/zinc/55/11/89/1064551189.db2.gz RCFBIMVGLYNSFV-AZGAKELHSA-N 2 1 466.718 4.555 20 0 JJADMP CC(C)Cc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@@H]1CCC[NH+](CC(C)C)C1 ZINC001359861317 1064551207 /nfs/dbraw/zinc/55/12/07/1064551207.db2.gz RCFBIMVGLYNSFV-AZGAKELHSA-N 2 1 466.718 4.555 20 0 JJADMP CC(C)Cc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@@H]1CCC[NH+](CC(C)C)C1 ZINC001359861317 1064551223 /nfs/dbraw/zinc/55/12/23/1064551223.db2.gz RCFBIMVGLYNSFV-AZGAKELHSA-N 2 1 466.718 4.555 20 0 JJADMP CC(C)CC[NH+]1CCC(Cn2c(C(C)C)nnc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC001359947515 1064696574 /nfs/dbraw/zinc/69/65/74/1064696574.db2.gz NKUAWIRCYCTVSK-DEOSSOPVSA-N 2 1 466.718 4.870 20 0 JJADMP CC(C)CC[NH+]1CCC(Cn2c(N3CC[NH+](Cc4cccs4)CC3)nnc2C(C)(C)C)CC1 ZINC001359950053 1064703162 /nfs/dbraw/zinc/70/31/62/1064703162.db2.gz DDBLMJYYKGDNMS-UHFFFAOYSA-N 2 1 472.747 4.717 20 0 JJADMP CC(C)C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001360014446 1064813062 /nfs/dbraw/zinc/81/30/62/1064813062.db2.gz KBBLGBBAKVMOEF-VWLOTQADSA-N 2 1 466.718 4.656 20 0 JJADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccccc3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001360092661 1064962860 /nfs/dbraw/zinc/96/28/60/1064962860.db2.gz NSSCXEBMKYUROV-HSZRJFAPSA-N 2 1 452.691 4.766 20 0 JJADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccccc3)n2C[C@H]2[NH+](C)CCCC2(C)C)CC1 ZINC001360092776 1064963646 /nfs/dbraw/zinc/96/36/46/1064963646.db2.gz SFXFBWNYPFVMKS-XMMPIXPASA-N 2 1 452.691 4.622 20 0 JJADMP CC(C)[NH+](C)CC1CCN(c2nnc(-c3ccccc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001360092776 1064963655 /nfs/dbraw/zinc/96/36/55/1064963655.db2.gz SFXFBWNYPFVMKS-XMMPIXPASA-N 2 1 452.691 4.622 20 0 JJADMP CC(C)[NH+](C)CC1CCN(c2nnc(-c3ccccc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001360092776 1064963663 /nfs/dbraw/zinc/96/36/63/1064963663.db2.gz SFXFBWNYPFVMKS-XMMPIXPASA-N 2 1 452.691 4.622 20 0 JJADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[NH+]2CCCC(C)(C)C2)CC1 ZINC001360095224 1064968156 /nfs/dbraw/zinc/96/81/56/1064968156.db2.gz AZKGZKKCQXKOAE-UHFFFAOYSA-N 2 1 484.708 4.687 20 0 JJADMP CC(C)[NH+](C)CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001360095224 1064968170 /nfs/dbraw/zinc/96/81/70/1064968170.db2.gz AZKGZKKCQXKOAE-UHFFFAOYSA-N 2 1 484.708 4.687 20 0 JJADMP CC(C)[NH+](C)CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001360095224 1064968176 /nfs/dbraw/zinc/96/81/76/1064968176.db2.gz AZKGZKKCQXKOAE-UHFFFAOYSA-N 2 1 484.708 4.687 20 0 JJADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)[NH+]2CCc3ccccc3C2)CC1 ZINC001360095694 1064971046 /nfs/dbraw/zinc/97/10/46/1064971046.db2.gz OPLDXRBHLCXHLX-QHCPKHFHSA-N 2 1 480.745 4.870 20 0 JJADMP CC(C)[NH+](C)CC1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC001360095694 1064971055 /nfs/dbraw/zinc/97/10/55/1064971055.db2.gz OPLDXRBHLCXHLX-QHCPKHFHSA-N 2 1 480.745 4.870 20 0 JJADMP CC(C)[NH+](C)CC1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC001360095694 1064971060 /nfs/dbraw/zinc/97/10/60/1064971060.db2.gz OPLDXRBHLCXHLX-QHCPKHFHSA-N 2 1 480.745 4.870 20 0 JJADMP CC(C)[N@@H+](C)CCCn1c([C@H]2CCCCO2)nnc1N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1 ZINC001360100080 1064979526 /nfs/dbraw/zinc/97/95/26/1064979526.db2.gz GOZSSVNDDBBZCO-UKILVPOCSA-N 2 1 474.738 4.731 20 0 JJADMP CC(C)[NH+](C)CCCn1c([C@H]2CCCCO2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001360100080 1064979534 /nfs/dbraw/zinc/97/95/34/1064979534.db2.gz GOZSSVNDDBBZCO-UKILVPOCSA-N 2 1 474.738 4.731 20 0 JJADMP CC(C)[NH+](C)CCCn1c([C@H]2CCCCO2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001360100080 1064979544 /nfs/dbraw/zinc/97/95/44/1064979544.db2.gz GOZSSVNDDBBZCO-UKILVPOCSA-N 2 1 474.738 4.731 20 0 JJADMP CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001360106628 1064988073 /nfs/dbraw/zinc/98/80/73/1064988073.db2.gz KQVSOIGURJWPPK-UHFFFAOYSA-N 2 1 467.489 4.903 20 0 JJADMP CC(C)[NH+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001360106628 1064988084 /nfs/dbraw/zinc/98/80/84/1064988084.db2.gz KQVSOIGURJWPPK-UHFFFAOYSA-N 2 1 467.489 4.903 20 0 JJADMP CC(C)[NH+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001360106628 1064988094 /nfs/dbraw/zinc/98/80/94/1064988094.db2.gz KQVSOIGURJWPPK-UHFFFAOYSA-N 2 1 467.489 4.903 20 0 JJADMP CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001360106710 1064988219 /nfs/dbraw/zinc/98/82/19/1064988219.db2.gz NWTLTSRHABHTAB-UHFFFAOYSA-N 2 1 463.045 4.533 20 0 JJADMP CC(C)[N@H+]1CCC[C@H](Cn2c(-c3ccc(Cl)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001360138816 1065034685 /nfs/dbraw/zinc/03/46/85/1065034685.db2.gz KFCSOBSYZWQAAR-FQEVSTJZSA-N 2 1 459.082 4.639 20 0 JJADMP CC(C)[N@H+]1CCC[C@H](Cn2c(-c3ccccc3Cl)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001360140214 1065036993 /nfs/dbraw/zinc/03/69/93/1065036993.db2.gz ZKJOAMCIKGFAKP-FQEVSTJZSA-N 2 1 459.082 4.639 20 0 JJADMP CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001360143251 1065043157 /nfs/dbraw/zinc/04/31/57/1065043157.db2.gz CGIWAXRSWDHYRF-MHZLTWQESA-N 2 1 484.758 4.600 20 0 JJADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)c1 ZINC001360354726 1065203830 /nfs/dbraw/zinc/20/38/30/1065203830.db2.gz BHIABYUKMIFQJB-UHFFFAOYSA-N 2 1 451.680 4.800 20 0 JJADMP C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001360465926 1065375419 /nfs/dbraw/zinc/37/54/19/1065375419.db2.gz DKJLLWKENNMYIC-FQEVSTJZSA-N 2 1 458.720 4.642 20 0 JJADMP C[C@@H](CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[N@H+](C(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001360510950 1065455458 /nfs/dbraw/zinc/45/54/58/1065455458.db2.gz RWMUXDZYVLTEGT-NRFANRHFSA-N 2 1 488.671 4.722 20 0 JJADMP CCC[N@@H+](Cc1ccccc1)Cc1ccc(NC(=O)[C@@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)cc1 ZINC001437229847 1065523904 /nfs/dbraw/zinc/52/39/04/1065523904.db2.gz ZZLQAKGABXLFMK-SXOMAYOGSA-N 2 1 459.638 4.506 20 0 JJADMP CCC[NH+](Cc1ccccc1)Cc1ccc(NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)cc1 ZINC001437229847 1065523923 /nfs/dbraw/zinc/52/39/23/1065523923.db2.gz ZZLQAKGABXLFMK-SXOMAYOGSA-N 2 1 459.638 4.506 20 0 JJADMP CCC[NH+](Cc1ccccc1)Cc1ccc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)cc1 ZINC001437229847 1065523937 /nfs/dbraw/zinc/52/39/37/1065523937.db2.gz ZZLQAKGABXLFMK-SXOMAYOGSA-N 2 1 459.638 4.506 20 0 JJADMP CC(C)[N@H+]1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001360746025 1065787593 /nfs/dbraw/zinc/78/75/93/1065787593.db2.gz RTYJKRMUYLMTDV-JOCHJYFZSA-N 2 1 486.680 4.742 20 0 JJADMP C[C@@H](Oc1ccccc1F)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001360773472 1065871689 /nfs/dbraw/zinc/87/16/89/1065871689.db2.gz IUMCULCHMHILNL-LEWJYISDSA-N 2 1 486.680 4.598 20 0 JJADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1)c1cccc(F)c1 ZINC001440677935 1065963923 /nfs/dbraw/zinc/96/39/23/1065963923.db2.gz VOOZFNZQGUXKMT-SMIHKQSGSA-N 2 1 451.611 4.522 20 0 JJADMP Cc1cccc(O[C@H](C)c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC[NH+]2CCCCCC2)c1C ZINC001360875265 1066017403 /nfs/dbraw/zinc/01/74/03/1066017403.db2.gz RNSSUIKQRSOQGH-RUZDIDTESA-N 2 1 482.717 4.831 20 0 JJADMP Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@H](C)[NH+](C)C ZINC001360911152 1066068241 /nfs/dbraw/zinc/06/82/41/1066068241.db2.gz YGDBXXVKZPIGSF-IBGZPJMESA-N 2 1 481.714 4.638 20 0 JJADMP Cc1cc(C)cc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001361034811 1066251632 /nfs/dbraw/zinc/25/16/32/1066251632.db2.gz DSHIXTQBPIPEJL-UIOOFZCWSA-N 2 1 496.744 4.762 20 0 JJADMP O=C([C@H]1CCC[N@@H+](CCc2ccccc2)C1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC001443537683 1066326713 /nfs/dbraw/zinc/32/67/13/1066326713.db2.gz JCGRNJOVVZMZJJ-VWLOTQADSA-N 2 1 454.058 4.719 20 0 JJADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC001443929470 1066386558 /nfs/dbraw/zinc/38/65/58/1066386558.db2.gz RLSAAMKWYOTVCM-HUROMRQRSA-N 2 1 463.666 4.551 20 0 JJADMP Cc1ccc([C@H](Cn2c(CC(C)(C)C)nnc2N2CCC[N@H+](C3CCCC3)CC2)[NH+](C)C)cc1 ZINC001361139575 1066415802 /nfs/dbraw/zinc/41/58/02/1066415802.db2.gz MFMZWHYSCZRUIZ-VWLOTQADSA-N 2 1 466.718 4.933 20 0 JJADMP Cc1ccc(C)c(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC(C)(C)C[NH+]2CCCC2)c1 ZINC001361159073 1066463288 /nfs/dbraw/zinc/46/32/88/1066463288.db2.gz NTDFVCABENZFHE-UHFFFAOYSA-N 2 1 482.717 4.516 20 0 JJADMP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001361192137 1066519203 /nfs/dbraw/zinc/51/92/03/1066519203.db2.gz HZWFIICPBAUOLH-ILBGXUMGSA-N 2 1 459.556 4.737 20 0 JJADMP Cc1ccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@H](c2ccccc2)[NH+](C)C)o1 ZINC001361205065 1066536039 /nfs/dbraw/zinc/53/60/39/1066536039.db2.gz BJGGSJJVIAKXIY-XMMPIXPASA-N 2 1 464.658 4.706 20 0 JJADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CSCc1ccc(C(C)(C)C)cc1 ZINC001445184545 1066544142 /nfs/dbraw/zinc/54/41/42/1066544142.db2.gz HHLDWKMHSQMWOZ-UHFFFAOYSA-N 2 1 459.744 4.872 20 0 JJADMP 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 1066947213 /nfs/dbraw/zinc/94/72/13/1066947213.db2.gz JZXGPYBVTCRAAM-ANNHOSHMSA-N 2 1 466.718 4.834 20 0 JJADMP CC[C@H](c1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC001545751275 1067022708 /nfs/dbraw/zinc/02/27/08/1067022708.db2.gz BQZJPHWZGWMFFF-DQEYMECFSA-N 2 1 466.718 4.861 20 0 JJADMP CC[C@H](c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@@H]1[NH+](C)CCCC1(C)C)c1ccccc1 ZINC001545751275 1067022723 /nfs/dbraw/zinc/02/27/23/1067022723.db2.gz BQZJPHWZGWMFFF-DQEYMECFSA-N 2 1 466.718 4.861 20 0 JJADMP CC[C@H](c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@H]1[NH+](C)CCCC1(C)C)c1ccccc1 ZINC001545751275 1067022735 /nfs/dbraw/zinc/02/27/35/1067022735.db2.gz BQZJPHWZGWMFFF-DQEYMECFSA-N 2 1 466.718 4.861 20 0 JJADMP CC[C@@H](c1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1CC[N@H+]1CCC[C@H]1C)c1ccccc1 ZINC001545752491 1067028282 /nfs/dbraw/zinc/02/82/82/1067028282.db2.gz YITRVHYSTXNMJO-ISKFKSNPSA-N 2 1 452.691 4.615 20 0 JJADMP CC[C@@H](c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC[NH+]1CCC[C@H]1C)c1ccccc1 ZINC001545752491 1067028300 /nfs/dbraw/zinc/02/83/00/1067028300.db2.gz YITRVHYSTXNMJO-ISKFKSNPSA-N 2 1 452.691 4.615 20 0 JJADMP CC[C@@H](c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC[NH+]1CCC[C@H]1C)c1ccccc1 ZINC001545752491 1067028314 /nfs/dbraw/zinc/02/83/14/1067028314.db2.gz YITRVHYSTXNMJO-ISKFKSNPSA-N 2 1 452.691 4.615 20 0 JJADMP CC[C@@H](c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1CCCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC001545758289 1067037106 /nfs/dbraw/zinc/03/71/06/1067037106.db2.gz DMCONNLBRXEONK-AOYPEHQESA-N 2 1 466.718 4.863 20 0 JJADMP CCC(CC)[C@@H](Cn1c(-c2ccccc2)nnc1N1CC[NH+](Cc2ccsc2)CC1)[NH+](C)C ZINC001545808098 1067131638 /nfs/dbraw/zinc/13/16/38/1067131638.db2.gz SHDAUAHCURJQTE-XMMPIXPASA-N 2 1 466.699 4.695 20 0 JJADMP CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C)[NH+](C)C ZINC001545808082 1067131750 /nfs/dbraw/zinc/13/17/50/1067131750.db2.gz RZCUVSIKLPBHNY-WGGBDISSSA-N 2 1 477.072 4.777 20 0 JJADMP CCC(CC)[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1)[NH+](C)C ZINC001545810473 1067138885 /nfs/dbraw/zinc/13/88/85/1067138885.db2.gz XCUQEHZGQOCYCE-HYBUGGRVSA-N 2 1 483.730 4.595 20 0 JJADMP CCC(CC)[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1)[NH+](C)C ZINC001545817545 1067150002 /nfs/dbraw/zinc/15/00/02/1067150002.db2.gz LLPAVWNQAXHVSS-HFZDXXHNSA-N 2 1 484.708 4.685 20 0 JJADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCC1(F)F ZINC001452769571 1067250708 /nfs/dbraw/zinc/25/07/08/1067250708.db2.gz JFGSUEPBQZHDDA-FUCAVZNHSA-N 2 1 455.593 4.654 20 0 JJADMP C[C@@H]1[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC001452769571 1067250717 /nfs/dbraw/zinc/25/07/17/1067250717.db2.gz JFGSUEPBQZHDDA-FUCAVZNHSA-N 2 1 455.593 4.654 20 0 JJADMP C[C@@H]1[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC001452769571 1067250721 /nfs/dbraw/zinc/25/07/21/1067250721.db2.gz JFGSUEPBQZHDDA-FUCAVZNHSA-N 2 1 455.593 4.654 20 0 JJADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](Cc3ccccc3Cl)C3CCCC3)cc2)CC1 ZINC001459451746 1067326828 /nfs/dbraw/zinc/32/68/28/1067326828.db2.gz SJIJBADPMAGWBV-UHFFFAOYSA-N 2 1 455.046 4.865 20 0 JJADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](Cc3ccccc3Cl)C3CCCC3)cc2)CC1 ZINC001459451746 1067326843 /nfs/dbraw/zinc/32/68/43/1067326843.db2.gz SJIJBADPMAGWBV-UHFFFAOYSA-N 2 1 455.046 4.865 20 0 JJADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001459609475 1067362520 /nfs/dbraw/zinc/36/25/20/1067362520.db2.gz MPQQSNBQSWICFK-WZONZLPQSA-N 2 1 451.438 4.734 20 0 JJADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001459609475 1067362531 /nfs/dbraw/zinc/36/25/31/1067362531.db2.gz MPQQSNBQSWICFK-WZONZLPQSA-N 2 1 451.438 4.734 20 0 JJADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001459609475 1067362545 /nfs/dbraw/zinc/36/25/45/1067362545.db2.gz MPQQSNBQSWICFK-WZONZLPQSA-N 2 1 451.438 4.734 20 0 JJADMP CC[N@@H+](CCC1CC[NH+]([C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@@H]2O)CC1)CC(C)C ZINC001459813985 1067435033 /nfs/dbraw/zinc/43/50/33/1067435033.db2.gz RGGJRXLCEXNUGO-RPBOFIJWSA-N 2 1 459.675 4.924 20 0 JJADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CCN(C(=O)OCc4ccccc4)CC3)C2)s1 ZINC001460065927 1067544314 /nfs/dbraw/zinc/54/43/14/1067544314.db2.gz AKDXVZXMHVEPJI-DEOSSOPVSA-N 2 1 455.668 4.859 20 0 JJADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CCN(C(=O)OCc4ccccc4)CC3)C2)s1 ZINC001460065927 1067544325 /nfs/dbraw/zinc/54/43/25/1067544325.db2.gz AKDXVZXMHVEPJI-DEOSSOPVSA-N 2 1 455.668 4.859 20 0 JJADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CCN(C(=O)OCc4ccccc4)CC3)C2)s1 ZINC001460065927 1067544335 /nfs/dbraw/zinc/54/43/35/1067544335.db2.gz AKDXVZXMHVEPJI-DEOSSOPVSA-N 2 1 455.668 4.859 20 0 JJADMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001460087081 1067550273 /nfs/dbraw/zinc/55/02/73/1067550273.db2.gz XLWPILFXJSZVIQ-UHFFFAOYSA-N 2 1 459.478 4.974 20 0 JJADMP C[N@@H+](Cc1ccccc1)C[C@@H](C[NH2+][C@H](CO)c1ccc(Br)cc1)c1ccccc1 ZINC001460184079 1067573947 /nfs/dbraw/zinc/57/39/47/1067573947.db2.gz XVJXWNVQCBCEPW-ILBGXUMGSA-N 2 1 453.424 4.988 20 0 JJADMP C[N@H+](Cc1ccccc1)C[C@@H](C[NH2+][C@H](CO)c1ccc(Br)cc1)c1ccccc1 ZINC001460184079 1067573952 /nfs/dbraw/zinc/57/39/52/1067573952.db2.gz XVJXWNVQCBCEPW-ILBGXUMGSA-N 2 1 453.424 4.988 20 0 JJADMP C[C@H](c1ccc(Oc2ccccc2Cl)cc1Cl)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC001460685135 1067701468 /nfs/dbraw/zinc/70/14/68/1067701468.db2.gz CRHVGTQRKUPBMO-QGZVFWFLSA-N 2 1 450.410 4.943 20 0 JJADMP C[C@H](c1ccc(Oc2ccccc2Cl)cc1Cl)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC001460685135 1067701477 /nfs/dbraw/zinc/70/14/77/1067701477.db2.gz CRHVGTQRKUPBMO-QGZVFWFLSA-N 2 1 450.410 4.943 20 0 JJADMP FC(F)(F)c1cccc(N2CC[NH+](CCCNC3CC[NH+](C4CCCCC4)CC3)CC2)c1 ZINC001461034089 1067766333 /nfs/dbraw/zinc/76/63/33/1067766333.db2.gz FIVPBOOPMVYUSD-UHFFFAOYSA-N 2 1 452.609 4.604 20 0 JJADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001461051646 1067770029 /nfs/dbraw/zinc/77/00/29/1067770029.db2.gz YWYGGFYSEABCIF-KDURUIRLSA-N 2 1 450.579 4.996 20 0 JJADMP Brc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)ccc1OCc1ccccc1 ZINC001461198304 1067797785 /nfs/dbraw/zinc/79/77/85/1067797785.db2.gz UMMMWZOGBNFSLZ-JOCHJYFZSA-N 2 1 459.428 4.761 20 0 JJADMP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccc(N3CCC[C@H](C(=O)OC(C)(C)C)C3)o2)n1 ZINC001461863005 1067949643 /nfs/dbraw/zinc/94/96/43/1067949643.db2.gz AFAIKXWHMPKGLU-SFTDATJTSA-N 2 1 454.615 4.618 20 0 JJADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(OC)cc1)c1ccccc1 ZINC001462102481 1068003271 /nfs/dbraw/zinc/00/32/71/1068003271.db2.gz BMXVVQCGAGEAFW-NHKHRBQYSA-N 2 1 471.645 4.863 20 0 JJADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3[C@@H](C(F)(F)F)CCC34CC[NH2+]CC4)c2c1C ZINC001164414459 718881483 /nfs/dbraw/zinc/88/14/83/718881483.db2.gz UNYBBKJBPNPPCF-QGZVFWFLSA-N 2 1 467.605 4.947 20 0 JJADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)nc(-c3ccc(-c4ccccc4)cc3)n2)c2c1CC[NH2+]C2 ZINC001164685090 719623601 /nfs/dbraw/zinc/62/36/01/719623601.db2.gz ZSPKRFRWAJPXSP-UHFFFAOYSA-N 2 1 474.012 4.531 20 0 JJADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)nc(-c3ccc(-c4ccccc4)cc3)n2)c2c1CC[NH2+]C2 ZINC001164685090 719623610 /nfs/dbraw/zinc/62/36/10/719623610.db2.gz ZSPKRFRWAJPXSP-UHFFFAOYSA-N 2 1 474.012 4.531 20 0 JJADMP CC(C)[N@H+](C)Cc1nn(-c2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)c2c1CC[NH2+]C2 ZINC001164679760 719637638 /nfs/dbraw/zinc/63/76/38/719637638.db2.gz MHOZWIGBMSBXLV-UHFFFAOYSA-N 2 1 477.616 4.759 20 0 JJADMP CC(C)[N@@H+](C)Cc1nn(-c2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)c2c1CC[NH2+]C2 ZINC001164679760 719637643 /nfs/dbraw/zinc/63/76/43/719637643.db2.gz MHOZWIGBMSBXLV-UHFFFAOYSA-N 2 1 477.616 4.759 20 0 JJADMP CC(C)[N@H+](C)Cc1nn(-c2nc(C3CC3)nc3scc(-c4ccccc4)c32)c2c1CC[NH2+]C2 ZINC001164680127 719644249 /nfs/dbraw/zinc/64/42/49/719644249.db2.gz OZVBFBLCBNWGGF-UHFFFAOYSA-N 2 1 458.635 4.907 20 0 JJADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(C3CC3)nc3scc(-c4ccccc4)c32)c2c1CC[NH2+]C2 ZINC001164680127 719644258 /nfs/dbraw/zinc/64/42/58/719644258.db2.gz OZVBFBLCBNWGGF-UHFFFAOYSA-N 2 1 458.635 4.907 20 0 JJADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2ccc(OCc3ccc(Cl)nc3)cc2)c2c1CC[NH2+]C2 ZINC001164680191 719644996 /nfs/dbraw/zinc/64/49/96/719644996.db2.gz RVPJUIQXWGTQPH-UHFFFAOYSA-N 2 1 475.971 4.594 20 0 JJADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2ccc(OCc3ccc(Cl)nc3)cc2)c2c1CC[NH2+]C2 ZINC001164680191 719645000 /nfs/dbraw/zinc/64/50/00/719645000.db2.gz RVPJUIQXWGTQPH-UHFFFAOYSA-N 2 1 475.971 4.594 20 0 JJADMP Cc1cccc(-c2cc(C(F)(F)n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)cnc2Cl)c1 ZINC001164684398 719653161 /nfs/dbraw/zinc/65/31/61/719653161.db2.gz XGVQKHCOKDZLAZ-UHFFFAOYSA-N 2 1 459.972 4.990 20 0 JJADMP Cc1cccc(-c2cc(C(F)(F)n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)cnc2Cl)c1 ZINC001164684398 719653166 /nfs/dbraw/zinc/65/31/66/719653166.db2.gz XGVQKHCOKDZLAZ-UHFFFAOYSA-N 2 1 459.972 4.990 20 0 JJADMP COc1cccc(-c2cc(C(F)(F)n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)cnc2Cl)c1 ZINC001164681889 719653896 /nfs/dbraw/zinc/65/38/96/719653896.db2.gz SBLHKIYDGJFFSN-UHFFFAOYSA-N 2 1 475.971 4.691 20 0 JJADMP COc1cccc(-c2cc(C(F)(F)n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)cnc2Cl)c1 ZINC001164681889 719653902 /nfs/dbraw/zinc/65/39/02/719653902.db2.gz SBLHKIYDGJFFSN-UHFFFAOYSA-N 2 1 475.971 4.691 20 0 JJADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C[NH+](C)C)nc3scc(-c4ccccc4)c31)C2 ZINC001164816894 720187097 /nfs/dbraw/zinc/18/70/97/720187097.db2.gz NOSFGRDYSLWKBA-RBISFHTESA-N 2 1 491.705 4.605 20 0 JJADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(C[NH+](C)C)nc3scc(-c4ccccc4)c31)C2 ZINC001164816894 720187109 /nfs/dbraw/zinc/18/71/09/720187109.db2.gz NOSFGRDYSLWKBA-RBISFHTESA-N 2 1 491.705 4.605 20 0 JJADMP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1[nH+]cnc3c1ccn3Cc1ccccc1)CC2 ZINC001164792949 721496798 /nfs/dbraw/zinc/49/67/98/721496798.db2.gz VXUGYDDDGPYFQY-UHFFFAOYSA-N 2 1 452.606 4.756 20 0 JJADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1[nH+]cnc3c1ccn3Cc1ccccc1)CC2 ZINC001164792949 721496799 /nfs/dbraw/zinc/49/67/99/721496799.db2.gz VXUGYDDDGPYFQY-UHFFFAOYSA-N 2 1 452.606 4.756 20 0 JJADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c(n3)CC[NH+](Cc3ccccc3)C4)C[C@@H]21 ZINC001165017866 721807531 /nfs/dbraw/zinc/80/75/31/721807531.db2.gz BALLOCZUKUQJGB-JPZGVGIDSA-N 2 1 467.661 4.772 20 0 JJADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@@H]21 ZINC001165017866 721807533 /nfs/dbraw/zinc/80/75/33/721807533.db2.gz BALLOCZUKUQJGB-JPZGVGIDSA-N 2 1 467.661 4.772 20 0 JJADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@@H]21 ZINC001165017866 721807534 /nfs/dbraw/zinc/80/75/34/721807534.db2.gz BALLOCZUKUQJGB-JPZGVGIDSA-N 2 1 467.661 4.772 20 0 JJADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3[nH+]cnc4c3ccn4Cc3cccc(F)c3)C[C@@H]21 ZINC001165022578 721814427 /nfs/dbraw/zinc/81/44/27/721814427.db2.gz FZCFNUBTIOAEFG-QGUKFAFCSA-N 2 1 470.596 4.751 20 0 JJADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3[nH+]cnc4c3ccn4Cc3cccc(F)c3)C[C@@H]21 ZINC001165022578 721814428 /nfs/dbraw/zinc/81/44/28/721814428.db2.gz FZCFNUBTIOAEFG-QGUKFAFCSA-N 2 1 470.596 4.751 20 0 JJADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3[nH+]cnc4c3ccn4Cc3ccccc3)C[C@@H]21 ZINC001165029384 721814973 /nfs/dbraw/zinc/81/49/73/721814973.db2.gz YUJJWTWWKWFPIW-ZSQFBXSQSA-N 2 1 452.606 4.612 20 0 JJADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3[nH+]cnc4c3ccn4Cc3ccccc3)C[C@@H]21 ZINC001165029384 721814975 /nfs/dbraw/zinc/81/49/75/721814975.db2.gz YUJJWTWWKWFPIW-ZSQFBXSQSA-N 2 1 452.606 4.612 20 0 JJADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3[nH+]cnc4c3ccn4Cc3ccc(F)cc3)C[C@H]21 ZINC001165029003 721815032 /nfs/dbraw/zinc/81/50/32/721815032.db2.gz YPHSXYUJYIJSLO-LPPUWEFUSA-N 2 1 470.596 4.751 20 0 JJADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3[nH+]cnc4c3ccn4Cc3ccc(F)cc3)C[C@H]21 ZINC001165029003 721815033 /nfs/dbraw/zinc/81/50/33/721815033.db2.gz YPHSXYUJYIJSLO-LPPUWEFUSA-N 2 1 470.596 4.751 20 0 JJADMP 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 721832318 /nfs/dbraw/zinc/83/23/18/721832318.db2.gz ODVZUCVFTAXRNQ-WUMKDDEVSA-N 2 1 488.026 4.789 20 0 JJADMP 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 721832350 /nfs/dbraw/zinc/83/23/50/721832350.db2.gz ODVZUCVFTAXRNQ-CTUHWIOQSA-N 2 1 488.026 4.789 20 0 JJADMP CC(C)C[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[N@H+]2CCCC[C@H]2C1)[NH+](C)C ZINC001359766837 1064394499 /nfs/dbraw/zinc/39/44/99/1064394499.db2.gz VOKXXXPIIBWYBX-VQTJNVASSA-N 2 1 479.500 4.903 20 0 JJADMP CC(C)Cc1nnc(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001359777369 1064421464 /nfs/dbraw/zinc/42/14/64/1064421464.db2.gz HZOLPOWXPOFUPN-RSXGOPAZSA-N 2 1 466.718 4.842 20 0 JJADMP CC(C)Cc1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001359802857 1064471511 /nfs/dbraw/zinc/47/15/11/1064471511.db2.gz XAIYVBUSQOEZTL-RPBOFIJWSA-N 2 1 466.718 4.699 20 0 JJADMP CC(C)Cc1nnc(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001359833518 1064519727 /nfs/dbraw/zinc/51/97/27/1064519727.db2.gz YPRVKLDHMUEPCQ-DQEYMECFSA-N 2 1 458.739 4.689 20 0 JJADMP CC(C)Cc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001359833520 1064519808 /nfs/dbraw/zinc/51/98/08/1064519808.db2.gz YPRVKLDHMUEPCQ-LOSJGSFVSA-N 2 1 458.739 4.689 20 0 JJADMP CC(C)Cc1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001359841107 1064528342 /nfs/dbraw/zinc/52/83/42/1064528342.db2.gz BTCKDWHAIQDTMI-QHCPKHFHSA-N 2 1 454.707 4.698 20 0 JJADMP CC(C)Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC[C@H](C)[NH+](C)Cc1ccccc1 ZINC001359841107 1064528354 /nfs/dbraw/zinc/52/83/54/1064528354.db2.gz BTCKDWHAIQDTMI-QHCPKHFHSA-N 2 1 454.707 4.698 20 0 JJADMP CC(C)Cc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC[C@H](C)[NH+](C)Cc1ccccc1 ZINC001359841107 1064528368 /nfs/dbraw/zinc/52/83/68/1064528368.db2.gz BTCKDWHAIQDTMI-QHCPKHFHSA-N 2 1 454.707 4.698 20 0 JJADMP CC(C)Cc1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001359841678 1064529058 /nfs/dbraw/zinc/52/90/58/1064529058.db2.gz YABDUCWVCSPXII-LXFBAYGMSA-N 2 1 484.708 4.839 20 0 JJADMP CC(C)Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001359848720 1064534314 /nfs/dbraw/zinc/53/43/14/1064534314.db2.gz BLCMSKRNSKHNPE-VWLOTQADSA-N 2 1 466.718 4.699 20 0 JJADMP CC(C)C[N@H+]1CCC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001360010351 1064801762 /nfs/dbraw/zinc/80/17/62/1064801762.db2.gz ONVFSCCVVOBUKD-QHCPKHFHSA-N 2 1 487.136 4.811 20 0 JJADMP CC(C)C[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001360021239 1064824597 /nfs/dbraw/zinc/82/45/97/1064824597.db2.gz BOIMGIZZBAYZJR-OAQYLSRUSA-N 2 1 473.109 4.887 20 0 JJADMP CC(C)C[NH+]1CCN(c2nnc(CC(C)(C)C)n2CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001360028197 1064829172 /nfs/dbraw/zinc/82/91/72/1064829172.db2.gz YRFVRXFXJMWQOR-AOYPEHQESA-N 2 1 480.745 4.945 20 0 JJADMP CC(C)[N@H+](C)Cc1ccccc1Cn1c(N2CC[NH+](Cc3ccsc3)CC2)nnc1C(C)(C)C ZINC001360092395 1064960665 /nfs/dbraw/zinc/96/06/65/1064960665.db2.gz DNAAKSHPWBUYNP-UHFFFAOYSA-N 2 1 480.726 4.848 20 0 JJADMP CC(C)[N@@H+](C)Cc1ccccc1Cn1c(N2CC[NH+](Cc3ccsc3)CC2)nnc1C(C)(C)C ZINC001360092395 1064960677 /nfs/dbraw/zinc/96/06/77/1064960677.db2.gz DNAAKSHPWBUYNP-UHFFFAOYSA-N 2 1 480.726 4.848 20 0 JJADMP Cc1ccc(NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)cc1NC(=O)CC[NH+](C)C ZINC001435802339 1064999525 /nfs/dbraw/zinc/99/95/25/1064999525.db2.gz NRUCZFCTJWGIMO-UHFFFAOYSA-N 2 1 458.606 4.770 20 0 JJADMP CC(C)[NH+](CCn1c(-c2ccc(Br)s2)nnc1N1CC[N@H+]2CCCC[C@H]2C1)C(C)C ZINC001360128379 1065022494 /nfs/dbraw/zinc/02/24/94/1065022494.db2.gz HEFNZOXPLMNLBD-SFHVURJKSA-N 2 1 495.535 4.562 20 0 JJADMP CC(C)[NH+](CCn1c(CC2CCCC2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)C(C)C ZINC001360134026 1065029993 /nfs/dbraw/zinc/02/99/93/1065029993.db2.gz BZLIBXORRFBXCW-UHFFFAOYSA-N 2 1 484.708 4.981 20 0 JJADMP CC(C)[N@H+]1CCC[C@@H](Cn2c(N3CCC[C@H](C[NH+]4CCCCCC4)C3)nnc2C(C)(C)C)C1 ZINC001360140335 1065037807 /nfs/dbraw/zinc/03/78/07/1065037807.db2.gz BYVDPHZCBRKVIJ-DNQXCXABSA-N 2 1 458.739 4.788 20 0 JJADMP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2CSCC[NH+]2Cc2ccccc2)c1 ZINC001435875311 1065038142 /nfs/dbraw/zinc/03/81/42/1065038142.db2.gz GMAHBQAYNRTKJM-MHZLTWQESA-N 2 1 459.659 4.666 20 0 JJADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2CSCC[NH+]2Cc2ccccc2)c1 ZINC001435875311 1065038156 /nfs/dbraw/zinc/03/81/56/1065038156.db2.gz GMAHBQAYNRTKJM-MHZLTWQESA-N 2 1 459.659 4.666 20 0 JJADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)c1 ZINC001435875311 1065038167 /nfs/dbraw/zinc/03/81/67/1065038167.db2.gz GMAHBQAYNRTKJM-MHZLTWQESA-N 2 1 459.659 4.666 20 0 JJADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)c1 ZINC001435875311 1065038180 /nfs/dbraw/zinc/03/81/80/1065038180.db2.gz GMAHBQAYNRTKJM-MHZLTWQESA-N 2 1 459.659 4.666 20 0 JJADMP CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001360143248 1065043302 /nfs/dbraw/zinc/04/33/02/1065043302.db2.gz CGIWAXRSWDHYRF-HHHXNRCGSA-N 2 1 484.758 4.600 20 0 JJADMP CC(C)[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC001360152437 1065055409 /nfs/dbraw/zinc/05/54/09/1065055409.db2.gz LEDXIMBRAWDANM-REWPJTCUSA-N 2 1 458.720 4.542 20 0 JJADMP CC(C)[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC001360152436 1065055464 /nfs/dbraw/zinc/05/54/64/1065055464.db2.gz LEDXIMBRAWDANM-OFNKIYASSA-N 2 1 458.720 4.542 20 0 JJADMP CC(C)[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC001360152435 1065055711 /nfs/dbraw/zinc/05/57/11/1065055711.db2.gz LEDXIMBRAWDANM-NZQKXSOJSA-N 2 1 458.720 4.542 20 0 JJADMP CC(C)[NH2+]C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001360305388 1065140012 /nfs/dbraw/zinc/14/00/12/1065140012.db2.gz ONPTYMHKCBVCRH-UHFFFAOYSA-N 2 1 490.643 4.778 20 0 JJADMP CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001360305612 1065140771 /nfs/dbraw/zinc/14/07/71/1065140771.db2.gz XTUFRGXFTPNFKO-FQEVSTJZSA-N 2 1 474.097 4.615 20 0 JJADMP CC(C)[NH2+]C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001360306494 1065141847 /nfs/dbraw/zinc/14/18/47/1065141847.db2.gz FIKXAJCPISLZMN-JOCHJYFZSA-N 2 1 459.082 4.686 20 0 JJADMP CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001360309967 1065146495 /nfs/dbraw/zinc/14/64/95/1065146495.db2.gz UFXVPXRYCRYGIF-UHFFFAOYSA-N 2 1 489.108 4.742 20 0 JJADMP C[C@H](CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[N@H+](C(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001360510951 1065455744 /nfs/dbraw/zinc/45/57/44/1065455744.db2.gz RWMUXDZYVLTEGT-OAQYLSRUSA-N 2 1 488.671 4.722 20 0 JJADMP CCC[N@@H+](Cc1ccccc1)Cc1ccc(NC(=O)[C@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)cc1 ZINC001437229845 1065523585 /nfs/dbraw/zinc/52/35/85/1065523585.db2.gz ZZLQAKGABXLFMK-SVBPBHIXSA-N 2 1 459.638 4.506 20 0 JJADMP CCC[NH+](Cc1ccccc1)Cc1ccc(NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)cc1 ZINC001437229845 1065523601 /nfs/dbraw/zinc/52/36/01/1065523601.db2.gz ZZLQAKGABXLFMK-SVBPBHIXSA-N 2 1 459.638 4.506 20 0 JJADMP CCC[NH+](Cc1ccccc1)Cc1ccc(NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)cc1 ZINC001437229845 1065523615 /nfs/dbraw/zinc/52/36/15/1065523615.db2.gz ZZLQAKGABXLFMK-SVBPBHIXSA-N 2 1 459.638 4.506 20 0 JJADMP C[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)C[NH+]1CCCCC1 ZINC001360598391 1065618406 /nfs/dbraw/zinc/61/84/06/1065618406.db2.gz ANGGBUXBZUPPFS-QFIPXVFZSA-N 2 1 487.136 4.955 20 0 JJADMP CC(C)[N@@H+](C)CCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001360760849 1065834859 /nfs/dbraw/zinc/83/48/59/1065834859.db2.gz UHVBPXIFKHTOOY-HXUWFJFHSA-N 2 1 477.097 4.722 20 0 JJADMP C[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001360773474 1065871954 /nfs/dbraw/zinc/87/19/54/1065871954.db2.gz IUMCULCHMHILNL-RTWAWAEBSA-N 2 1 486.680 4.598 20 0 JJADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1)c1ccsc1 ZINC001441320295 1066027324 /nfs/dbraw/zinc/02/73/24/1066027324.db2.gz UCEQBRKWKQBXJG-JIMJEQGWSA-N 2 1 462.663 4.558 20 0 JJADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1)c1ccsc1 ZINC001441320305 1066027373 /nfs/dbraw/zinc/02/73/73/1066027373.db2.gz UCEQBRKWKQBXJG-NXCFDTQHSA-N 2 1 462.663 4.558 20 0 JJADMP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)cc1 ZINC001441366084 1066035481 /nfs/dbraw/zinc/03/54/81/1066035481.db2.gz RYFYFPQHBNPIER-HSZRJFAPSA-N 2 1 452.643 4.530 20 0 JJADMP Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[NH+](C(C)C)CC2)n1CC[N@H+](C)C(C)C ZINC001360991490 1066169934 /nfs/dbraw/zinc/16/99/34/1066169934.db2.gz CXJURWKXVCXHTK-QFIPXVFZSA-N 2 1 491.124 4.949 20 0 JJADMP Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CC[NH+](C)C(C)C ZINC001360991490 1066169938 /nfs/dbraw/zinc/16/99/38/1066169938.db2.gz CXJURWKXVCXHTK-QFIPXVFZSA-N 2 1 491.124 4.949 20 0 JJADMP Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CC[NH+](C)C(C)C ZINC001360991490 1066169943 /nfs/dbraw/zinc/16/99/43/1066169943.db2.gz CXJURWKXVCXHTK-QFIPXVFZSA-N 2 1 491.124 4.949 20 0 JJADMP Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[NH+](C(C)C)CC2)n1CC[N@H+](C)C(C)C ZINC001360991489 1066170022 /nfs/dbraw/zinc/17/00/22/1066170022.db2.gz CXJURWKXVCXHTK-JOCHJYFZSA-N 2 1 491.124 4.949 20 0 JJADMP Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CC[NH+](C)C(C)C ZINC001360991489 1066170025 /nfs/dbraw/zinc/17/00/25/1066170025.db2.gz CXJURWKXVCXHTK-JOCHJYFZSA-N 2 1 491.124 4.949 20 0 JJADMP Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CC[NH+](C)C(C)C ZINC001360991489 1066170029 /nfs/dbraw/zinc/17/00/29/1066170029.db2.gz CXJURWKXVCXHTK-JOCHJYFZSA-N 2 1 491.124 4.949 20 0 JJADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(Cc3cccc(C(F)(F)F)c3)CC(C)C)CC2)CC1 ZINC001454066867 1066242646 /nfs/dbraw/zinc/24/26/46/1066242646.db2.gz XYAQHJZGJMQRAH-UHFFFAOYSA-N 2 1 453.593 4.886 20 0 JJADMP CC1(C)C[N@@H+](Cc2ccccc2)C(C)(C)CN1C(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC001454116261 1066246664 /nfs/dbraw/zinc/24/66/64/1066246664.db2.gz ITFFVJLUEFMWMW-XMMPIXPASA-N 2 1 451.630 4.939 20 0 JJADMP CC1(C)C[NH+](Cc2ccccc2)C(C)(C)CN1C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001454116261 1066246675 /nfs/dbraw/zinc/24/66/75/1066246675.db2.gz ITFFVJLUEFMWMW-XMMPIXPASA-N 2 1 451.630 4.939 20 0 JJADMP CC1(C)C[NH+](Cc2ccccc2)C(C)(C)CN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001454116261 1066246683 /nfs/dbraw/zinc/24/66/83/1066246683.db2.gz ITFFVJLUEFMWMW-XMMPIXPASA-N 2 1 451.630 4.939 20 0 JJADMP C[NH+](C)C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC001454574087 1066303364 /nfs/dbraw/zinc/30/33/64/1066303364.db2.gz ITQVACKJEJOOMM-AVRDEDQJSA-N 2 1 452.401 4.764 20 0 JJADMP Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC[NH+]2CCCC2)c1 ZINC001361128576 1066392636 /nfs/dbraw/zinc/39/26/36/1066392636.db2.gz ZOLXBCVSNVBRCK-UHFFFAOYSA-N 2 1 482.717 4.695 20 0 JJADMP Cc1ccc([C@H](Cn2c(N3CCC[N@H+](C(C)C)CC3)nnc2C(C)(C)C)[NH+]2CCCC2)cc1 ZINC001361142033 1066422519 /nfs/dbraw/zinc/42/25/19/1066422519.db2.gz TXKYFUBVFKJWGI-DEOSSOPVSA-N 2 1 452.691 4.642 20 0 JJADMP CC1([NH+]2CCCC2)CCC(NC(=O)[C@@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC001455884511 1066445291 /nfs/dbraw/zinc/44/52/91/1066445291.db2.gz AUSBLGBUKUQEGO-CGVRRFLZSA-N 2 1 451.630 4.940 20 0 JJADMP Cc1ccc(-c2nnc(N(C)[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)n2CC(C)(C)C[NH+](C)C)o1 ZINC001361171015 1066486411 /nfs/dbraw/zinc/48/64/11/1066486411.db2.gz LFLFVDNINUUEMN-URXFXBBRSA-N 2 1 478.685 4.924 20 0 JJADMP Cc1ccc(-c2nnc(N(C)[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)n2CC(C)(C)C[NH+](C)C)o1 ZINC001361171017 1066486526 /nfs/dbraw/zinc/48/65/26/1066486526.db2.gz LFLFVDNINUUEMN-ZJSXRUAMSA-N 2 1 478.685 4.924 20 0 JJADMP Cc1ccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@H](c2cccs2)[NH+](C)C)o1 ZINC001361218956 1066555659 /nfs/dbraw/zinc/55/56/59/1066555659.db2.gz YEKAWLICVIORJW-LJQANCHMSA-N 2 1 456.660 4.522 20 0 JJADMP CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](C[NH+](CC)CC)C1)[N@H+]1CCc2ccccc2C1 ZINC001545994818 1066797145 /nfs/dbraw/zinc/79/71/45/1066797145.db2.gz GUBPNMRSDCZJTC-OZXSUGGESA-N 2 1 480.745 4.872 20 0 JJADMP CC[C@@H](c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)n1CC(C)(C)[NH+]1CCC(OC)CC1)c1ccccc1 ZINC001545730633 1066988261 /nfs/dbraw/zinc/98/82/61/1066988261.db2.gz CUTATAQXPVNIKJ-MVERNJQCSA-N 2 1 496.744 4.628 20 0 JJADMP CC[C@H](c1nnc(N2CC[NH+](C(C)C)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545756598 1067033899 /nfs/dbraw/zinc/03/38/99/1067033899.db2.gz KQWPZBJDUNRHMS-GSLIJJQTSA-N 2 1 466.718 4.718 20 0 JJADMP CC[C@H](c1nnc(N2CC[NH+](CC(C)C)CC2)n1CCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC001545758650 1067039041 /nfs/dbraw/zinc/03/90/41/1067039041.db2.gz KTLSSVVVLGSHHV-AHWVRZQESA-N 2 1 466.718 4.863 20 0 JJADMP CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C)[NH+](C)C ZINC001545808079 1067131679 /nfs/dbraw/zinc/13/16/79/1067131679.db2.gz RZCUVSIKLPBHNY-LLBVYWAGSA-N 2 1 477.072 4.777 20 0 JJADMP CCC(CC)[C@@H](Cn1c(CC2CCCC2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1)[NH+](C)C ZINC001545819422 1067154472 /nfs/dbraw/zinc/15/44/72/1067154472.db2.gz FLTLWNDCIUBKIY-SQJMNOBHSA-N 2 1 458.739 4.688 20 0 JJADMP CCC(CC)[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)[NH+](C)C ZINC001545819843 1067156294 /nfs/dbraw/zinc/15/62/94/1067156294.db2.gz NEZZBCBFYFKASY-JOCHJYFZSA-N 2 1 460.736 4.607 20 0 JJADMP C[C@@H]1CN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCC2(F)F)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001452769567 1067250645 /nfs/dbraw/zinc/25/06/45/1067250645.db2.gz JFGSUEPBQZHDDA-FFHOAYQKSA-N 2 1 455.593 4.654 20 0 JJADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)[C@H](C)[C@H](C)[NH+]1Cc1ccccc1 ZINC001452769567 1067250654 /nfs/dbraw/zinc/25/06/54/1067250654.db2.gz JFGSUEPBQZHDDA-FFHOAYQKSA-N 2 1 455.593 4.654 20 0 JJADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)[C@H](C)[C@H](C)[NH+]1Cc1ccccc1 ZINC001452769567 1067250662 /nfs/dbraw/zinc/25/06/62/1067250662.db2.gz JFGSUEPBQZHDDA-FFHOAYQKSA-N 2 1 455.593 4.654 20 0 JJADMP Brc1ccc(-c2nc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)cs2)cc1 ZINC001459587685 1067357763 /nfs/dbraw/zinc/35/77/63/1067357763.db2.gz WYMHOOJXHYZKAI-UHFFFAOYSA-N 2 1 450.446 4.649 20 0 JJADMP CC[N@@H+](CCC1CC[NH+]([C@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@@H]2O)CC1)CC(C)C ZINC001459813977 1067434881 /nfs/dbraw/zinc/43/48/81/1067434881.db2.gz RGGJRXLCEXNUGO-DQEYMECFSA-N 2 1 459.675 4.924 20 0 JJADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H](C)c3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC001459882902 1067472339 /nfs/dbraw/zinc/47/23/39/1067472339.db2.gz KQCXCCRCUIQFQG-QHCPKHFHSA-N 2 1 457.618 4.747 20 0 JJADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H](C)c3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC001459882902 1067472343 /nfs/dbraw/zinc/47/23/43/1067472343.db2.gz KQCXCCRCUIQFQG-QHCPKHFHSA-N 2 1 457.618 4.747 20 0 JJADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC001459928288 1067495514 /nfs/dbraw/zinc/49/55/14/1067495514.db2.gz ZEWZERDDIINCGQ-ONTIZHBOSA-N 2 1 452.668 4.944 20 0 JJADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC001459928288 1067495525 /nfs/dbraw/zinc/49/55/25/1067495525.db2.gz ZEWZERDDIINCGQ-ONTIZHBOSA-N 2 1 452.668 4.944 20 0 JJADMP COc1ccc(NC(=O)C[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC001460549980 1067654720 /nfs/dbraw/zinc/65/47/20/1067654720.db2.gz YIMHKZLECWPKEW-VWLOTQADSA-N 2 1 456.030 4.910 20 0 JJADMP COc1ccc(NC(=O)C[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC001460549980 1067654721 /nfs/dbraw/zinc/65/47/21/1067654721.db2.gz YIMHKZLECWPKEW-VWLOTQADSA-N 2 1 456.030 4.910 20 0 JJADMP CN1CCN(c2cccc(Cl)c2CN[C@@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC001461612814 1067901856 /nfs/dbraw/zinc/90/18/56/1067901856.db2.gz LTRCXBGZHQUURU-NZQKXSOJSA-N 2 1 456.030 4.752 20 0 JJADMP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cccc(F)c3OCC(F)(F)F)C2)ccn1 ZINC001462460715 1068079359 /nfs/dbraw/zinc/07/93/59/1068079359.db2.gz ZHAFOBITZZTWHB-HXUWFJFHSA-N 2 1 455.496 4.655 20 0 JJADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cccc(F)c3OCC(F)(F)F)C2)ccn1 ZINC001462460715 1068079373 /nfs/dbraw/zinc/07/93/73/1068079373.db2.gz ZHAFOBITZZTWHB-HXUWFJFHSA-N 2 1 455.496 4.655 20 0 JJADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cccc(F)c3OCC(F)(F)F)C2)ccn1 ZINC001462460715 1068079384 /nfs/dbraw/zinc/07/93/84/1068079384.db2.gz ZHAFOBITZZTWHB-HXUWFJFHSA-N 2 1 455.496 4.655 20 0 JJADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cccc(F)c3OCC(F)(F)F)C2)ccn1 ZINC001462460715 1068079397 /nfs/dbraw/zinc/07/93/97/1068079397.db2.gz ZHAFOBITZZTWHB-HXUWFJFHSA-N 2 1 455.496 4.655 20 0 JJADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3c(Br)cc(F)c(F)c3N3CCCCC3)C[C@@H]2C1 ZINC001462655431 1068125768 /nfs/dbraw/zinc/12/57/68/1068125768.db2.gz QZZAKZDROCYQFS-YESZJQIVSA-N 2 1 456.419 4.880 20 0 JJADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC001464241975 1068671861 /nfs/dbraw/zinc/67/18/61/1068671861.db2.gz UYGVTGYGTNJYCJ-OAQYLSRUSA-N 2 1 455.046 4.865 20 0 JJADMP Cc1ccc([C@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)[NH+](C)C)cc1 ZINC001464548055 1068778463 /nfs/dbraw/zinc/77/84/63/1068778463.db2.gz VMFRBTHDPTWESB-NHKHRBQYSA-N 2 1 455.646 4.938 20 0 JJADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCC5(CC[NH2+]CC5)[C@H]3C(F)(F)F)n2)CCC4)CC1 ZINC001164386953 718815436 /nfs/dbraw/zinc/81/54/36/718815436.db2.gz CENFSPQUCSZCGJ-QHCPKHFHSA-N 2 1 493.643 4.923 20 0 JJADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCC5(CC[NH2+]CC5)[C@@H]4C(F)(F)F)c32)C1 ZINC001164389352 718815458 /nfs/dbraw/zinc/81/54/58/718815458.db2.gz VJZKCAVCXCRVKI-QMHKHESXSA-N 2 1 493.643 4.923 20 0 JJADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N([C@@H]2CCC23CC[NH2+]CC3)S(=O)(=O)c2ccccc2)nc1 ZINC001164688596 719592651 /nfs/dbraw/zinc/59/26/51/719592651.db2.gz YBDTXBMVNUFRJN-LOSJGSFVSA-N 2 1 482.694 4.746 20 0 JJADMP Cc1cc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164680144 719644553 /nfs/dbraw/zinc/64/45/53/719644553.db2.gz PWIJMJTYZWLZST-UHFFFAOYSA-N 2 1 452.606 4.791 20 0 JJADMP Cc1cc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164680144 719644560 /nfs/dbraw/zinc/64/45/60/719644560.db2.gz PWIJMJTYZWLZST-UHFFFAOYSA-N 2 1 452.606 4.791 20 0 JJADMP Cc1ccc2cc[nH+]c(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c2c1 ZINC001164681587 719667659 /nfs/dbraw/zinc/66/76/59/719667659.db2.gz NDDFDLGDOKYFKV-QHCPKHFHSA-N 2 1 456.634 4.637 20 0 JJADMP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1[nH+]cnc3c1ccn3Cc1ccc(F)cc1)CC2 ZINC001164839817 720695893 /nfs/dbraw/zinc/69/58/93/720695893.db2.gz BYQJRZVEWXZBNT-RUZDIDTESA-N 2 1 485.607 4.879 20 0 JJADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1[nH+]cnc3c1ccn3Cc1ccc(F)cc1)CC2 ZINC001164839817 720695905 /nfs/dbraw/zinc/69/59/05/720695905.db2.gz BYQJRZVEWXZBNT-RUZDIDTESA-N 2 1 485.607 4.879 20 0 JJADMP c1cn(C2CCCC2)c2nc[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164757445 720893094 /nfs/dbraw/zinc/89/30/94/720893094.db2.gz USUYSICRRVVRTL-OUTSHDOLSA-N 2 1 486.664 4.697 20 0 JJADMP c1cn(C2CCCC2)c2nc[nH+]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164757445 720893096 /nfs/dbraw/zinc/89/30/96/720893096.db2.gz USUYSICRRVVRTL-OUTSHDOLSA-N 2 1 486.664 4.697 20 0 JJADMP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)[C@H]2C ZINC001164859686 721004200 /nfs/dbraw/zinc/00/42/00/721004200.db2.gz LJIMCQMRXYZQLI-IBGZPJMESA-N 2 1 493.725 4.784 20 0 JJADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)[C@H]2C ZINC001164859686 721004203 /nfs/dbraw/zinc/00/42/03/721004203.db2.gz LJIMCQMRXYZQLI-IBGZPJMESA-N 2 1 493.725 4.784 20 0 JJADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(c3cccc(C)c3)[C@@H]3CO[C@@]4(CC[NH2+]C4)C3)c2c1C ZINC001164778394 721329556 /nfs/dbraw/zinc/32/95/56/721329556.db2.gz VCANJSAUQOSDBE-CUNXSJBXSA-N 2 1 477.678 4.871 20 0 JJADMP Fc1cccc(Cn2ccc3c2nc[nH+]c3N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164908230 721707846 /nfs/dbraw/zinc/70/78/46/721707846.db2.gz WMRHWFYKGSGCQX-SANMLTNESA-N 2 1 492.549 4.751 20 0 JJADMP Fc1cccc(Cn2ccc3c2nc[nH+]c3N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164908230 721707850 /nfs/dbraw/zinc/70/78/50/721707850.db2.gz WMRHWFYKGSGCQX-SANMLTNESA-N 2 1 492.549 4.751 20 0 JJADMP FC1(F)CCN(c2[nH+]c(N3CCCC3)cc3ccccc32)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164910710 721727155 /nfs/dbraw/zinc/72/71/55/721727155.db2.gz HPYSZWDVWVLBDB-SANMLTNESA-N 2 1 463.576 4.968 20 0 JJADMP 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 721832119 /nfs/dbraw/zinc/83/21/19/721832119.db2.gz ODVZUCVFTAXRNQ-VEXUSMLFSA-N 2 1 488.026 4.789 20 0 JJADMP Fc1cccc(Cn2ccc3c2nc[nH+]c3N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164951988 722018372 /nfs/dbraw/zinc/01/83/72/722018372.db2.gz FLSNATBCSMQCFY-UHFFFAOYSA-N 2 1 456.569 4.506 20 0 JJADMP Fc1cccc(Cn2ccc3c2nc[nH+]c3N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164951988 722018375 /nfs/dbraw/zinc/01/83/75/722018375.db2.gz FLSNATBCSMQCFY-UHFFFAOYSA-N 2 1 456.569 4.506 20 0 JJADMP CC(C)C[C@H](Cn1c(Cc2ccsc2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC001359770992 1064403649 /nfs/dbraw/zinc/40/36/49/1064403649.db2.gz OSRMYUAGWZOIJJ-WIOPSUGQSA-N 2 1 480.726 4.617 20 0 JJADMP CC(C)Cc1nnc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001359802060 1064469724 /nfs/dbraw/zinc/46/97/24/1064469724.db2.gz GYUDCNKULOHAQH-JWQCQUIFSA-N 2 1 466.718 4.842 20 0 JJADMP CC(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001359833432 1064519178 /nfs/dbraw/zinc/51/91/78/1064519178.db2.gz XOGINYUAQMDGAZ-DSNGMDLFSA-N 2 1 458.739 4.545 20 0 JJADMP CC(C)Cc1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001359841679 1064528926 /nfs/dbraw/zinc/52/89/26/1064528926.db2.gz YABDUCWVCSPXII-NEKDWFFYSA-N 2 1 484.708 4.839 20 0 JJADMP CC(C)Cc1nnc(N2CC[NH+](C3CCC3)C[C@H](C)C2)n1CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001359855283 1064542602 /nfs/dbraw/zinc/54/26/02/1064542602.db2.gz IGGFMNXJQPTWFD-BJKOFHAPSA-N 2 1 466.718 4.698 20 0 JJADMP CC(C)Cc1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CC[C@@H](C)[NH+](C)Cc1ccccc1 ZINC001359855283 1064542618 /nfs/dbraw/zinc/54/26/18/1064542618.db2.gz IGGFMNXJQPTWFD-BJKOFHAPSA-N 2 1 466.718 4.698 20 0 JJADMP CC(C)Cc1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CC[C@@H](C)[NH+](C)Cc1ccccc1 ZINC001359855283 1064542632 /nfs/dbraw/zinc/54/26/32/1064542632.db2.gz IGGFMNXJQPTWFD-BJKOFHAPSA-N 2 1 466.718 4.698 20 0 JJADMP CC(C)C[N@H+]1CCC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCC([NH+]3CCCCC3)CC2)C1 ZINC001360010438 1064801732 /nfs/dbraw/zinc/80/17/32/1064801732.db2.gz PVDJSGNORJNJKF-HSZRJFAPSA-N 2 1 458.739 4.689 20 0 JJADMP CC(C)[N@@H+](C)Cc1ccccc1Cn1c(CC2CC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001360092382 1064960613 /nfs/dbraw/zinc/96/06/13/1064960613.db2.gz DDUMZNWDJFIIRT-UHFFFAOYSA-N 2 1 466.718 4.677 20 0 JJADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001360092581 1064962175 /nfs/dbraw/zinc/96/21/75/1064962175.db2.gz KSBCZWUZKJOTLI-RUZDIDTESA-N 2 1 491.149 4.592 20 0 JJADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccccc3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001360092662 1064963150 /nfs/dbraw/zinc/96/31/50/1064963150.db2.gz NSSCXEBMKYUROV-QHCPKHFHSA-N 2 1 452.691 4.766 20 0 JJADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccccc3)n2CC[NH+](C)C2CCCCC2)CC1 ZINC001360094964 1064967438 /nfs/dbraw/zinc/96/74/38/1064967438.db2.gz RGOOIKDAYNDXIH-UHFFFAOYSA-N 2 1 452.691 4.766 20 0 JJADMP CC(C)[NH+](C)CC1CCN(c2nnc(-c3ccccc3)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001360094964 1064967453 /nfs/dbraw/zinc/96/74/53/1064967453.db2.gz RGOOIKDAYNDXIH-UHFFFAOYSA-N 2 1 452.691 4.766 20 0 JJADMP CC(C)[NH+](C)CC1CCN(c2nnc(-c3ccccc3)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001360094964 1064967467 /nfs/dbraw/zinc/96/74/67/1064967467.db2.gz RGOOIKDAYNDXIH-UHFFFAOYSA-N 2 1 452.691 4.766 20 0 JJADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(CCc3ccccc3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001360095853 1064970739 /nfs/dbraw/zinc/97/07/39/1064970739.db2.gz RNVKWAGZYAUALK-UHFFFAOYSA-N 2 1 480.745 4.884 20 0 JJADMP CC(C)[N@H+](C)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001360097388 1064974555 /nfs/dbraw/zinc/97/45/55/1064974555.db2.gz FYZMWWSWGYOPIK-UHFFFAOYSA-N 2 1 473.090 4.713 20 0 JJADMP CC(C)[N@@H+](C)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001360097388 1064974569 /nfs/dbraw/zinc/97/45/69/1064974569.db2.gz FYZMWWSWGYOPIK-UHFFFAOYSA-N 2 1 473.090 4.713 20 0 JJADMP CC(C)[N@@H+](C)CCCn1c([C@H]2CCCCO2)nnc1N1CCC(CC[NH+]2CCCC[C@H]2C)CC1 ZINC001360100078 1064979587 /nfs/dbraw/zinc/97/95/87/1064979587.db2.gz GOZSSVNDDBBZCO-ILBGXUMGSA-N 2 1 474.738 4.731 20 0 JJADMP CC(C)[NH+](C)CCCn1c([C@H]2CCCCO2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001360100078 1064979597 /nfs/dbraw/zinc/97/95/97/1064979597.db2.gz GOZSSVNDDBBZCO-ILBGXUMGSA-N 2 1 474.738 4.731 20 0 JJADMP CC(C)[NH+](C)CCCn1c([C@H]2CCCCO2)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001360100078 1064979603 /nfs/dbraw/zinc/97/96/03/1064979603.db2.gz GOZSSVNDDBBZCO-ILBGXUMGSA-N 2 1 474.738 4.731 20 0 JJADMP CC(C)[N@@H+](C)CCCn1c(Cc2ccsc2)nnc1N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC001360101550 1064981755 /nfs/dbraw/zinc/98/17/55/1064981755.db2.gz SSWYURYTGWUGEH-UHFFFAOYSA-N 2 1 484.689 4.512 20 0 JJADMP CC(C)[NH+](C)CCCn1c(Cc2ccsc2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001360101550 1064981765 /nfs/dbraw/zinc/98/17/65/1064981765.db2.gz SSWYURYTGWUGEH-UHFFFAOYSA-N 2 1 484.689 4.512 20 0 JJADMP CC(C)[NH+](C)CCCn1c(Cc2ccsc2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001360101550 1064981774 /nfs/dbraw/zinc/98/17/74/1064981774.db2.gz SSWYURYTGWUGEH-UHFFFAOYSA-N 2 1 484.689 4.512 20 0 JJADMP CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001360106512 1064988050 /nfs/dbraw/zinc/98/80/50/1064988050.db2.gz GADCGNHJFVNPFO-LJQANCHMSA-N 2 1 465.473 4.657 20 0 JJADMP CC(C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001360113984 1064997218 /nfs/dbraw/zinc/99/72/18/1064997218.db2.gz VIDJDVZMXFVRBI-TWJOJJKGSA-N 2 1 496.744 4.638 20 0 JJADMP CC(C)[NH+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001360113984 1064997227 /nfs/dbraw/zinc/99/72/27/1064997227.db2.gz VIDJDVZMXFVRBI-TWJOJJKGSA-N 2 1 496.744 4.638 20 0 JJADMP CC(C)[NH+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001360113984 1064997237 /nfs/dbraw/zinc/99/72/37/1064997237.db2.gz VIDJDVZMXFVRBI-TWJOJJKGSA-N 2 1 496.744 4.638 20 0 JJADMP CC(C)[NH+](CCn1c(C2CCCC2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1)C(C)C ZINC001360132336 1065027165 /nfs/dbraw/zinc/02/71/65/1065027165.db2.gz INDLHEXSNNBIHQ-UHFFFAOYSA-N 2 1 456.654 4.516 20 0 JJADMP CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CC[NH+](C)C2CCCCC2)CC1 ZINC001360143382 1065043876 /nfs/dbraw/zinc/04/38/76/1065043876.db2.gz FQLOHFXVTDPMJY-UHFFFAOYSA-N 2 1 459.082 4.784 20 0 JJADMP CC(C)[NH+]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001360143382 1065043891 /nfs/dbraw/zinc/04/38/91/1065043891.db2.gz FQLOHFXVTDPMJY-UHFFFAOYSA-N 2 1 459.082 4.784 20 0 JJADMP CC(C)[NH+]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001360143382 1065043905 /nfs/dbraw/zinc/04/39/05/1065043905.db2.gz FQLOHFXVTDPMJY-UHFFFAOYSA-N 2 1 459.082 4.784 20 0 JJADMP CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001360144119 1065045455 /nfs/dbraw/zinc/04/54/55/1065045455.db2.gz VIARGYAQAMJWCR-UHFFFAOYSA-N 2 1 467.489 4.760 20 0 JJADMP CC(C)[N@H+]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCCC[NH+]2CCCC2)CC1 ZINC001360146144 1065047921 /nfs/dbraw/zinc/04/79/21/1065047921.db2.gz FKQCBBYZQXZICY-UHFFFAOYSA-N 2 1 473.109 4.709 20 0 JJADMP CC(C)[N@H+]1CCCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC001360146742 1065048899 /nfs/dbraw/zinc/04/88/99/1065048899.db2.gz USRDAWYNSMVQAA-QFIPXVFZSA-N 2 1 456.679 4.607 20 0 JJADMP CC(C)[NH+]1CCN(c2nnc(-c3ccccc3Br)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001360150085 1065053862 /nfs/dbraw/zinc/05/38/62/1065053862.db2.gz PEFXBZLQQXTYER-HXUWFJFHSA-N 2 1 489.506 4.503 20 0 JJADMP CC(C)[NH2+]C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001360310107 1065147182 /nfs/dbraw/zinc/14/71/82/1065147182.db2.gz ZCIGOTPDRQMHLY-QLBJFCOMSA-N 2 1 488.765 4.818 20 0 JJADMP C[C@@H](CCn1c(CC(C)(C)C)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC001360510448 1065454299 /nfs/dbraw/zinc/45/42/99/1065454299.db2.gz KWVHVPXACZHARO-DEOSSOPVSA-N 2 1 466.718 4.844 20 0 JJADMP C[C@@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[N@H+](C(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001360514455 1065466856 /nfs/dbraw/zinc/46/68/56/1065466856.db2.gz UJQAHSNBHVRJJJ-RBZQAINGSA-N 2 1 488.765 4.772 20 0 JJADMP CC(C)[N@@H+](C)CCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001360744125 1065781055 /nfs/dbraw/zinc/78/10/55/1065781055.db2.gz OGDFJXHMKMZSHA-JOCHJYFZSA-N 2 1 486.680 4.742 20 0 JJADMP Cc1cccc(O[C@@H](C)c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC[NH+]2CCCCCC2)c1C ZINC001360875266 1066017343 /nfs/dbraw/zinc/01/73/43/1066017343.db2.gz RNSSUIKQRSOQGH-VWLOTQADSA-N 2 1 482.717 4.831 20 0 JJADMP CC[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)[NH+]1CCCC1 ZINC001545951710 1066157817 /nfs/dbraw/zinc/15/78/17/1066157817.db2.gz BJSNNHBFULYKAB-JTHBVZDNSA-N 2 1 486.680 4.742 20 0 JJADMP Cc1ccc([C@@H](Cn2c(CC(C)(C)C)nnc2N2CCC[N@H+](C3CCCC3)CC2)[NH+](C)C)cc1 ZINC001361139574 1066415884 /nfs/dbraw/zinc/41/58/84/1066415884.db2.gz MFMZWHYSCZRUIZ-RUZDIDTESA-N 2 1 466.718 4.933 20 0 JJADMP Cc1ccc(-c2nnc(N3CCC(CC[N@@H+]4CCCC[C@@H]4C)CC3)n2CC(C)(C)C[NH+](C)C)o1 ZINC001361204517 1066535474 /nfs/dbraw/zinc/53/54/74/1066535474.db2.gz YYBBIYIHBUNLTF-NRFANRHFSA-N 2 1 470.706 4.915 20 0 JJADMP Cc1ccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@@H](c2cccs2)[NH+](C)C)o1 ZINC001361218955 1066555839 /nfs/dbraw/zinc/55/58/39/1066555839.db2.gz YEKAWLICVIORJW-IBGZPJMESA-N 2 1 456.660 4.522 20 0 JJADMP Cc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCC[N@H+](C)C(C)C)cc1Br ZINC001361221189 1066559421 /nfs/dbraw/zinc/55/94/21/1066559421.db2.gz QELVTWOICVNSSB-UHFFFAOYSA-N 2 1 491.522 4.667 20 0 JJADMP CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC001545994733 1066795462 /nfs/dbraw/zinc/79/54/62/1066795462.db2.gz FFDLDYZSZWJALE-NOZRDPDXSA-N 2 1 466.718 4.842 20 0 JJADMP C[N@@H+](CCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)Cc1ccc(F)cc1 ZINC001457395943 1066822060 /nfs/dbraw/zinc/82/20/60/1066822060.db2.gz SVRZNRVUWHMREH-RRPNLBNLSA-N 2 1 480.027 4.943 20 0 JJADMP C[NH+](CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)Cc1ccc(F)cc1 ZINC001457395943 1066822068 /nfs/dbraw/zinc/82/20/68/1066822068.db2.gz SVRZNRVUWHMREH-RRPNLBNLSA-N 2 1 480.027 4.943 20 0 JJADMP C[NH+](CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)Cc1ccc(F)cc1 ZINC001457395943 1066822076 /nfs/dbraw/zinc/82/20/76/1066822076.db2.gz SVRZNRVUWHMREH-RRPNLBNLSA-N 2 1 480.027 4.943 20 0 JJADMP 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 1066993713 /nfs/dbraw/zinc/99/37/13/1066993713.db2.gz ZMMNUMNKHMKQMW-TVYALGDOSA-N 2 1 454.707 4.715 20 0 JJADMP CC[C@@H](c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CC(C)(C)C[NH+](C)C)c1ccccc1 ZINC001545751971 1067026232 /nfs/dbraw/zinc/02/62/32/1067026232.db2.gz OGLBHTZEEBIZEQ-RUZDIDTESA-N 2 1 466.718 4.863 20 0 JJADMP CC[C@@H](c1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC001545752366 1067027434 /nfs/dbraw/zinc/02/74/34/1067027434.db2.gz WCFIZMYLNGRKLD-DGWZTRNLSA-N 2 1 466.718 4.861 20 0 JJADMP CC[C@@H](c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@@H](C)[NH+]1CCC[C@@H](C)C1)c1ccccc1 ZINC001545752366 1067027451 /nfs/dbraw/zinc/02/74/51/1067027451.db2.gz WCFIZMYLNGRKLD-DGWZTRNLSA-N 2 1 466.718 4.861 20 0 JJADMP CC[C@@H](c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@H](C)[NH+]1CCC[C@@H](C)C1)c1ccccc1 ZINC001545752366 1067027468 /nfs/dbraw/zinc/02/74/68/1067027468.db2.gz WCFIZMYLNGRKLD-DGWZTRNLSA-N 2 1 466.718 4.861 20 0 JJADMP CC[C@@H](c1nnc(N2CC[NH+](CC(C)C)CC2)n1CCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC001545758652 1067039170 /nfs/dbraw/zinc/03/91/70/1067039170.db2.gz KTLSSVVVLGSHHV-AZGAKELHSA-N 2 1 466.718 4.863 20 0 JJADMP CC[C@H](c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC001545761435 1067045074 /nfs/dbraw/zinc/04/50/74/1067045074.db2.gz RLHAATUZAPCWPI-DQEYMECFSA-N 2 1 452.691 4.613 20 0 JJADMP C[N@H+]1CC[C@@H](CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458448341 1067063898 /nfs/dbraw/zinc/06/38/98/1067063898.db2.gz ODMMGAXLFGRGBB-URXFXBBRSA-N 2 1 458.021 4.890 20 0 JJADMP CCc1ccc([C@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)[NH+](CC)CC)cc1 ZINC001450482432 1067084776 /nfs/dbraw/zinc/08/47/76/1067084776.db2.gz LJQXDHJMAVEFML-DQEYMECFSA-N 2 1 457.609 4.906 20 0 JJADMP CCC(CC)[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1)[NH+](C)C ZINC001545805013 1067117460 /nfs/dbraw/zinc/11/74/60/1067117460.db2.gz GKVOLMLBPARXRG-AVRDEDQJSA-N 2 1 491.522 4.604 20 0 JJADMP C[C@@H]1[C@H](NC(=O)[C@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001450801352 1067123321 /nfs/dbraw/zinc/12/33/21/1067123321.db2.gz SDIBCVDOYWYHJD-XTBZXYEFSA-N 2 1 459.609 4.806 20 0 JJADMP C[C@@H]1[C@H](NC(=O)[C@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001450801352 1067123326 /nfs/dbraw/zinc/12/33/26/1067123326.db2.gz SDIBCVDOYWYHJD-XTBZXYEFSA-N 2 1 459.609 4.806 20 0 JJADMP CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)[NH+](C)C ZINC001545808081 1067131721 /nfs/dbraw/zinc/13/17/21/1067131721.db2.gz RZCUVSIKLPBHNY-NYDSKATKSA-N 2 1 477.072 4.777 20 0 JJADMP CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C)[NH+](C)C ZINC001545808080 1067131782 /nfs/dbraw/zinc/13/17/82/1067131782.db2.gz RZCUVSIKLPBHNY-MONBJTKQSA-N 2 1 477.072 4.777 20 0 JJADMP CCC(CC)[C@H](Cn1c(-c2cccn2C)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1)[NH+](C)C ZINC001545810475 1067138734 /nfs/dbraw/zinc/13/87/34/1067138734.db2.gz XCUQEHZGQOCYCE-YKSBVNFPSA-N 2 1 483.730 4.595 20 0 JJADMP CCC(CC)[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[N@H+](C(C)C)CC1)[NH+](C)C ZINC001545817375 1067148661 /nfs/dbraw/zinc/14/86/61/1067148661.db2.gz IXOZYHACQKFZRZ-DEOSSOPVSA-N 2 1 475.125 4.809 20 0 JJADMP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cc1F ZINC001451199069 1067153958 /nfs/dbraw/zinc/15/39/58/1067153958.db2.gz NNEOFRZBSHNHIE-VAVYLYDRSA-N 2 1 475.608 4.795 20 0 JJADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](CCc3ccc(F)cc3)C3CCCC3)CC2)cc1 ZINC001459771291 1067415414 /nfs/dbraw/zinc/41/54/14/1067415414.db2.gz XEOLXISXVSXTRK-UHFFFAOYSA-N 2 1 451.630 4.656 20 0 JJADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](CCc3ccc(F)cc3)C3CCCC3)CC2)cc1 ZINC001459771291 1067415419 /nfs/dbraw/zinc/41/54/19/1067415419.db2.gz XEOLXISXVSXTRK-UHFFFAOYSA-N 2 1 451.630 4.656 20 0 JJADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](CCc3ccc(F)cc3)C3CCCC3)CC2)cc1 ZINC001459771291 1067415427 /nfs/dbraw/zinc/41/54/27/1067415427.db2.gz XEOLXISXVSXTRK-UHFFFAOYSA-N 2 1 451.630 4.656 20 0 JJADMP COc1ccc(-c2csc(NC(=O)[C@@H](C)[NH+]3CCC(CCC[NH+]4CCCC4)CC3)n2)cc1 ZINC001459799391 1067428583 /nfs/dbraw/zinc/42/85/83/1067428583.db2.gz SRFGTAZLLYSXBM-LJQANCHMSA-N 2 1 456.656 4.734 20 0 JJADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H](CCc3ccccc3)c3ccccc3)CC2)cc1 ZINC001459839819 1067448214 /nfs/dbraw/zinc/44/82/14/1067448214.db2.gz CVUNXWLWBWCSLJ-LJAQVGFWSA-N 2 1 455.646 4.993 20 0 JJADMP C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1cccc(OC(F)F)c1 ZINC001459850122 1067455036 /nfs/dbraw/zinc/45/50/36/1067455036.db2.gz ZTPNSZYRONBTRT-IERDGZPVSA-N 2 1 451.945 4.545 20 0 JJADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@](C)(Cc3ccc(Cl)cc3)C(C)C)CC2)cc1 ZINC001460149308 1067565214 /nfs/dbraw/zinc/56/52/14/1067565214.db2.gz IKLDTNPFSLSZNP-HHHXNRCGSA-N 2 1 456.074 4.930 20 0 JJADMP Cc1ccc(-c2ncc(C[NH2+]Cc3cccc(OCC[N@H+](C)C4CCOCC4)c3)s2)cc1 ZINC001461138232 1067787764 /nfs/dbraw/zinc/78/77/64/1067787764.db2.gz LYSGOWHLXYNODZ-UHFFFAOYSA-N 2 1 451.636 4.898 20 0 JJADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cc(Cl)ccc3OCc3cccnc3)CC2)oc1C ZINC001461144673 1067788667 /nfs/dbraw/zinc/78/86/67/1067788667.db2.gz HUYGVGUHJLCSQV-UHFFFAOYSA-N 2 1 455.002 4.921 20 0 JJADMP CCc1ccc(-c2nn(-c3ccccc3C)cc2C[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC001461170798 1067792295 /nfs/dbraw/zinc/79/22/95/1067792295.db2.gz OHVWKYRHNGGSAB-UHFFFAOYSA-N 2 1 459.682 4.773 20 0 JJADMP COc1cc(Br)c(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1OC ZINC001461815734 1067941291 /nfs/dbraw/zinc/94/12/91/1067941291.db2.gz HFUZMVYAHUYOED-GIVPXCGWSA-N 2 1 459.428 4.857 20 0 JJADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001461986567 1067975249 /nfs/dbraw/zinc/97/52/49/1067975249.db2.gz DFQPIXMWPRIMDF-UZVYXBEXSA-N 2 1 456.030 4.956 20 0 JJADMP CC[NH+]1CCN(c2cccc(N[C@H]3CC[N@H+](C)[C@@H](c4ccc(Br)cc4)C3)c2)CC1 ZINC001462122792 1068010288 /nfs/dbraw/zinc/01/02/88/1068010288.db2.gz AQVDTXFWFHHJON-LADGPHEKSA-N 2 1 457.460 4.838 20 0 JJADMP CC[NH+]1CCN(c2cccc(N[C@H]3CC[N@@H+](C)[C@@H](c4ccc(Br)cc4)C3)c2)CC1 ZINC001462122792 1068010304 /nfs/dbraw/zinc/01/03/04/1068010304.db2.gz AQVDTXFWFHHJON-LADGPHEKSA-N 2 1 457.460 4.838 20 0 JJADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCC2(F)F)cc1 ZINC001464166002 1068640399 /nfs/dbraw/zinc/64/03/99/1068640399.db2.gz AEECZXYHZVANAV-OFVILXPXSA-N 2 1 455.593 4.835 20 0 JJADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC001464166002 1068640406 /nfs/dbraw/zinc/64/04/06/1068640406.db2.gz AEECZXYHZVANAV-OFVILXPXSA-N 2 1 455.593 4.835 20 0 JJADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC001464166002 1068640413 /nfs/dbraw/zinc/64/04/13/1068640413.db2.gz AEECZXYHZVANAV-OFVILXPXSA-N 2 1 455.593 4.835 20 0 JJADMP FC(F)(F)[C@H]1N(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)CCC12CC[NH2+]CC2 ZINC001164388009 718815306 /nfs/dbraw/zinc/81/53/06/718815306.db2.gz LWXMRJNHCYGVOJ-QFIPXVFZSA-N 2 1 479.616 4.677 20 0 JJADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC4(CC[NH2+]CC4)[C@H]3C(F)(F)F)c2c1C ZINC001164389336 718815428 /nfs/dbraw/zinc/81/54/28/718815428.db2.gz VEUBHLGHLPLZQR-NRFANRHFSA-N 2 1 467.605 4.805 20 0 JJADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3[C@H](C(F)(F)F)CCC34CC[NH2+]CC4)c2c1C ZINC001164414457 718881439 /nfs/dbraw/zinc/88/14/39/718881439.db2.gz UNYBBKJBPNPPCF-KRWDZBQOSA-N 2 1 467.605 4.947 20 0 JJADMP Cc1nc2c(n1-c1nc(C[NH+]3CCC(C)CC3)nc3scc(-c4cccs4)c31)CC[NH2+]CC2 ZINC001164430008 718948963 /nfs/dbraw/zinc/94/89/63/718948963.db2.gz RWMURHBFUQYWOK-UHFFFAOYSA-N 2 1 478.691 4.834 20 0 JJADMP c1ccc([C@H]2C[NH2+]C[C@]23CCN(c2nc(C[NH+]4CCCC4)nc4sc5c(c42)CCCC5)C3)cc1 ZINC001164619271 719047707 /nfs/dbraw/zinc/04/77/07/719047707.db2.gz CHGQXMALNYSWSD-DFHRPNOPSA-N 2 1 473.690 4.749 20 0 JJADMP c1ccc([C@H]2C[NH2+]C[C@@]23CCN(c2nc(C[NH+]4CCCC4)nc4sc5c(c42)CCCC5)C3)cc1 ZINC001164619279 719048172 /nfs/dbraw/zinc/04/81/72/719048172.db2.gz CHGQXMALNYSWSD-SKCUWOTOSA-N 2 1 473.690 4.749 20 0 JJADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@H](COC)[NH+](Cc4ccccn4)C3)CC2)nc1 ZINC001164713545 720153462 /nfs/dbraw/zinc/15/34/62/720153462.db2.gz RUPZJRKSXLIVPG-CLJLJLNGSA-N 2 1 463.670 4.531 20 0 JJADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164713545 720153473 /nfs/dbraw/zinc/15/34/73/720153473.db2.gz RUPZJRKSXLIVPG-CLJLJLNGSA-N 2 1 463.670 4.531 20 0 JJADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164713545 720153482 /nfs/dbraw/zinc/15/34/82/720153482.db2.gz RUPZJRKSXLIVPG-CLJLJLNGSA-N 2 1 463.670 4.531 20 0 JJADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H](COC)[NH+](Cc4ccccn4)C3)CC2)nc1 ZINC001164713546 720153880 /nfs/dbraw/zinc/15/38/80/720153880.db2.gz RUPZJRKSXLIVPG-FTJBHMTQSA-N 2 1 463.670 4.531 20 0 JJADMP CC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164713546 720153885 /nfs/dbraw/zinc/15/38/85/720153885.db2.gz RUPZJRKSXLIVPG-FTJBHMTQSA-N 2 1 463.670 4.531 20 0 JJADMP CC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164713546 720153893 /nfs/dbraw/zinc/15/38/93/720153893.db2.gz RUPZJRKSXLIVPG-FTJBHMTQSA-N 2 1 463.670 4.531 20 0 JJADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C[NH+](C)C)nc3scc(-c4ccccc4)c31)C2 ZINC001164816896 720186993 /nfs/dbraw/zinc/18/69/93/720186993.db2.gz NOSFGRDYSLWKBA-SKCUWOTOSA-N 2 1 491.705 4.605 20 0 JJADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(C[NH+](C)C)nc3scc(-c4ccccc4)c31)C2 ZINC001164816896 720187005 /nfs/dbraw/zinc/18/70/05/720187005.db2.gz NOSFGRDYSLWKBA-SKCUWOTOSA-N 2 1 491.705 4.605 20 0 JJADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)n1 ZINC001164736441 720546081 /nfs/dbraw/zinc/54/60/81/720546081.db2.gz YGKDZQLBHWUUIY-IBGZPJMESA-N 2 1 459.704 4.666 20 0 JJADMP CC(C)(C)N(c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001164733506 720546425 /nfs/dbraw/zinc/54/64/25/720546425.db2.gz CNNIKTXRSIMZNR-LJQANCHMSA-N 2 1 483.726 4.682 20 0 JJADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)nc1 ZINC001164840812 720635173 /nfs/dbraw/zinc/63/51/73/720635173.db2.gz QXMFKICSMIFJTH-QEGGNFSNSA-N 2 1 450.675 4.593 20 0 JJADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1 ZINC001164840812 720635185 /nfs/dbraw/zinc/63/51/85/720635185.db2.gz QXMFKICSMIFJTH-QEGGNFSNSA-N 2 1 450.675 4.593 20 0 JJADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1 ZINC001164840812 720635197 /nfs/dbraw/zinc/63/51/97/720635197.db2.gz QXMFKICSMIFJTH-QEGGNFSNSA-N 2 1 450.675 4.593 20 0 JJADMP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1[nH+]cnc3c1ccn3Cc1cccc(F)c1)CC2 ZINC001164840416 720694850 /nfs/dbraw/zinc/69/48/50/720694850.db2.gz DMVIOVYAAMNVTN-VWLOTQADSA-N 2 1 485.607 4.879 20 0 JJADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1[nH+]cnc3c1ccn3Cc1cccc(F)c1)CC2 ZINC001164840416 720694861 /nfs/dbraw/zinc/69/48/61/720694861.db2.gz DMVIOVYAAMNVTN-VWLOTQADSA-N 2 1 485.607 4.879 20 0 JJADMP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3[nH+]ccc4c3ccn4Cc3ccccc3)C2)C1 ZINC001164780117 721355112 /nfs/dbraw/zinc/35/51/12/721355112.db2.gz ZUZTUMBAURDUPF-GDLZYMKVSA-N 2 1 485.632 4.808 20 0 JJADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C2)COCC[NH+](Cc2c(C)noc2C)C3)nc1 ZINC001164785322 721373297 /nfs/dbraw/zinc/37/32/97/721373297.db2.gz RBZKOJGFYSIZKZ-IXCJQBJRSA-N 2 1 481.685 4.742 20 0 JJADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164785322 721373302 /nfs/dbraw/zinc/37/33/02/721373302.db2.gz RBZKOJGFYSIZKZ-IXCJQBJRSA-N 2 1 481.685 4.742 20 0 JJADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164785322 721373305 /nfs/dbraw/zinc/37/33/05/721373305.db2.gz RBZKOJGFYSIZKZ-IXCJQBJRSA-N 2 1 481.685 4.742 20 0 JJADMP Cc1sc2nc(C[NH+]3CCCC3)nc(-n3nc(-c4ccc(F)cc4)c4c3CC[NH2+]CC4)c2c1C ZINC001164796942 721597389 /nfs/dbraw/zinc/59/73/89/721597389.db2.gz FCCATBLWGNQFJK-UHFFFAOYSA-N 2 1 476.625 4.584 20 0 JJADMP Fc1ccc(Cn2ccc3c2nc[nH+]c3N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cc1 ZINC001164952170 722018773 /nfs/dbraw/zinc/01/87/73/722018773.db2.gz IMUHMWAZLKFRMW-UHFFFAOYSA-N 2 1 456.569 4.506 20 0 JJADMP Fc1ccc(Cn2ccc3c2nc[nH+]c3N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc1 ZINC001164952170 722018775 /nfs/dbraw/zinc/01/87/75/722018775.db2.gz IMUHMWAZLKFRMW-UHFFFAOYSA-N 2 1 456.569 4.506 20 0 JJADMP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164958063 722024854 /nfs/dbraw/zinc/02/48/54/722024854.db2.gz FJRPAGDGBVUYGB-UHFFFAOYSA-N 2 1 473.999 4.544 20 0 JJADMP CC(C)C[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1)[NH+](C)C ZINC001359766419 1064391736 /nfs/dbraw/zinc/39/17/36/1064391736.db2.gz NNDCWEXIHQYARR-IFMALSPDSA-N 2 1 473.109 4.885 20 0 JJADMP CC(C)C[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)[NH+](C)C ZINC001359766562 1064392718 /nfs/dbraw/zinc/39/27/18/1064392718.db2.gz PUBZMTVXMLVNGO-OAQYLSRUSA-N 2 1 492.659 4.833 20 0 JJADMP CC(C)C[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](Cc2ccsc2)CC1)[NH+](C)C ZINC001359767027 1064395229 /nfs/dbraw/zinc/39/52/29/1064395229.db2.gz ZBZLZKVXBSRYEJ-HSZRJFAPSA-N 2 1 487.117 4.959 20 0 JJADMP CC(C)Cc1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001359802854 1064471462 /nfs/dbraw/zinc/47/14/62/1064471462.db2.gz XAIYVBUSQOEZTL-DQEYMECFSA-N 2 1 466.718 4.699 20 0 JJADMP CC(C)Cc1nnc(N2CC[NH+](C3CCC3)C[C@@H](C)C2)n1CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001359855284 1064542421 /nfs/dbraw/zinc/54/24/21/1064542421.db2.gz IGGFMNXJQPTWFD-DNQXCXABSA-N 2 1 466.718 4.698 20 0 JJADMP CC(C)Cc1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CC[C@@H](C)[NH+](C)Cc1ccccc1 ZINC001359855284 1064542437 /nfs/dbraw/zinc/54/24/37/1064542437.db2.gz IGGFMNXJQPTWFD-DNQXCXABSA-N 2 1 466.718 4.698 20 0 JJADMP CC(C)Cc1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CC[C@@H](C)[NH+](C)Cc1ccccc1 ZINC001359855284 1064542451 /nfs/dbraw/zinc/54/24/51/1064542451.db2.gz IGGFMNXJQPTWFD-DNQXCXABSA-N 2 1 466.718 4.698 20 0 JJADMP CC(C)Cc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001359860683 1064550033 /nfs/dbraw/zinc/55/00/33/1064550033.db2.gz KZGQOPPAUTXNMK-IBGGVINMSA-N 2 1 466.718 4.698 20 0 JJADMP CC(C)C[N@H+]1CCC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCC([NH+]3CCCCC3)CC2)C1 ZINC001360010439 1064801673 /nfs/dbraw/zinc/80/16/73/1064801673.db2.gz PVDJSGNORJNJKF-QHCPKHFHSA-N 2 1 458.739 4.689 20 0 JJADMP CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001360017173 1064816770 /nfs/dbraw/zinc/81/67/70/1064816770.db2.gz AXZXRTVDBVSRLM-OAQYLSRUSA-N 2 1 491.099 4.884 20 0 JJADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)[NH+]2CCc3ccccc3C2)CC1 ZINC001360095693 1064970934 /nfs/dbraw/zinc/97/09/34/1064970934.db2.gz OPLDXRBHLCXHLX-HSZRJFAPSA-N 2 1 480.745 4.870 20 0 JJADMP CC(C)[NH+](C)CC1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC001360095693 1064970947 /nfs/dbraw/zinc/97/09/47/1064970947.db2.gz OPLDXRBHLCXHLX-HSZRJFAPSA-N 2 1 480.745 4.870 20 0 JJADMP CC(C)[NH+](C)CC1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC001360095693 1064970962 /nfs/dbraw/zinc/97/09/62/1064970962.db2.gz OPLDXRBHLCXHLX-HSZRJFAPSA-N 2 1 480.745 4.870 20 0 JJADMP CC(C)[N@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001360107023 1064988910 /nfs/dbraw/zinc/98/89/10/1064988910.db2.gz ZKJVBFJIGRBUTR-UHFFFAOYSA-N 2 1 493.508 4.976 20 0 JJADMP CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001360107023 1064988918 /nfs/dbraw/zinc/98/89/18/1064988918.db2.gz ZKJVBFJIGRBUTR-UHFFFAOYSA-N 2 1 493.508 4.976 20 0 JJADMP CC(C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001360113990 1064997064 /nfs/dbraw/zinc/99/70/64/1064997064.db2.gz VRLGQSDJXZEVRU-JWQCQUIFSA-N 2 1 488.765 4.629 20 0 JJADMP CC(C)[NH+](CCn1c(-c2ccc(Br)s2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)C(C)C ZINC001360128377 1065022735 /nfs/dbraw/zinc/02/27/35/1065022735.db2.gz HEFNZOXPLMNLBD-GOSISDBHSA-N 2 1 495.535 4.562 20 0 JJADMP CC(C)[NH+](CCn1c(CCCc2ccccc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)C(C)C ZINC001360134878 1065031047 /nfs/dbraw/zinc/03/10/47/1065031047.db2.gz OUUQIXHDMNCEEV-UHFFFAOYSA-N 2 1 468.734 4.883 20 0 JJADMP CCC[N@H+](C)[C@H](CNC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(Cl)cc1 ZINC001436197599 1065245480 /nfs/dbraw/zinc/24/54/80/1065245480.db2.gz KKLAFHWXFYJMFM-OHUGHZGNSA-N 2 1 458.046 4.762 20 0 JJADMP CCC[N@@H+](C)[C@H](CNC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(Cl)cc1 ZINC001436197599 1065245493 /nfs/dbraw/zinc/24/54/93/1065245493.db2.gz KKLAFHWXFYJMFM-OHUGHZGNSA-N 2 1 458.046 4.762 20 0 JJADMP CCC[NH+](C)[C@H](CNC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(Cl)cc1 ZINC001436197599 1065245503 /nfs/dbraw/zinc/24/55/03/1065245503.db2.gz KKLAFHWXFYJMFM-OHUGHZGNSA-N 2 1 458.046 4.762 20 0 JJADMP CCC[NH+](C)[C@H](CNC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(Cl)cc1 ZINC001436197599 1065245518 /nfs/dbraw/zinc/24/55/18/1065245518.db2.gz KKLAFHWXFYJMFM-OHUGHZGNSA-N 2 1 458.046 4.762 20 0 JJADMP C[C@H](c1ccsc1)[NH+]1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001360465927 1065375271 /nfs/dbraw/zinc/37/52/71/1065375271.db2.gz DKJLLWKENNMYIC-HXUWFJFHSA-N 2 1 458.720 4.642 20 0 JJADMP CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001360596815 1065611159 /nfs/dbraw/zinc/61/11/59/1065611159.db2.gz HROSRXAYOUWPOF-QFIPXVFZSA-N 2 1 470.681 4.763 20 0 JJADMP CC(C)c1nnc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001360597517 1065614514 /nfs/dbraw/zinc/61/45/14/1065614514.db2.gz OPHXXGIGRSGWTJ-XMMPIXPASA-N 2 1 466.718 4.872 20 0 JJADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)o1 ZINC001438338453 1065712178 /nfs/dbraw/zinc/71/21/78/1065712178.db2.gz QLTZYAMNIYSRNQ-IZZNHLLZSA-N 2 1 461.606 4.528 20 0 JJADMP C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001360745375 1065784384 /nfs/dbraw/zinc/78/43/84/1065784384.db2.gz JLAUNRVPLFUBGV-NRFANRHFSA-N 2 1 486.680 4.742 20 0 JJADMP CC(C)[N@H+]1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001360746026 1065787565 /nfs/dbraw/zinc/78/75/65/1065787565.db2.gz RTYJKRMUYLMTDV-QFIPXVFZSA-N 2 1 486.680 4.742 20 0 JJADMP CC(C)[NH+](CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)C(C)C ZINC001360761175 1065836984 /nfs/dbraw/zinc/83/69/84/1065836984.db2.gz ZVRFWBWOIQEVAU-JTHBVZDNSA-N 2 1 489.108 4.865 20 0 JJADMP CC(C)[NH+](CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[N@H+](C(C)(C)C)CC1)C(C)C ZINC001360773210 1065870976 /nfs/dbraw/zinc/87/09/76/1065870976.db2.gz HUYQPFISZDCDIB-JOCHJYFZSA-N 2 1 488.696 4.987 20 0 JJADMP CC(C)(C)c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001360809064 1065923006 /nfs/dbraw/zinc/92/30/06/1065923006.db2.gz ZXPPVNLGIHMJRN-UHFFFAOYSA-N 2 1 458.739 4.790 20 0 JJADMP COc1ccccc1[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CC(C)C)[NH+]1CCCC1 ZINC001440386765 1065936311 /nfs/dbraw/zinc/93/63/11/1065936311.db2.gz JIIQFBAHSALKNM-ZRJLEYOISA-N 2 1 463.666 4.743 20 0 JJADMP CCCN(C(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001442865205 1066232769 /nfs/dbraw/zinc/23/27/69/1066232769.db2.gz BNVQRQFTIXBAJR-BDYUSTAISA-N 2 1 451.630 4.941 20 0 JJADMP CCCN(C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001442865205 1066232781 /nfs/dbraw/zinc/23/27/81/1066232781.db2.gz BNVQRQFTIXBAJR-BDYUSTAISA-N 2 1 451.630 4.941 20 0 JJADMP CCCN(C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001442865205 1066232795 /nfs/dbraw/zinc/23/27/95/1066232795.db2.gz BNVQRQFTIXBAJR-BDYUSTAISA-N 2 1 451.630 4.941 20 0 JJADMP C[NH+](C)C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC001454574091 1066302793 /nfs/dbraw/zinc/30/27/93/1066302793.db2.gz ITQVACKJEJOOMM-PGRDOPGGSA-N 2 1 452.401 4.764 20 0 JJADMP C[NH+](C)C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC001454574089 1066303467 /nfs/dbraw/zinc/30/34/67/1066303467.db2.gz ITQVACKJEJOOMM-GCJKJVERSA-N 2 1 452.401 4.764 20 0 JJADMP 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 1066381220 /nfs/dbraw/zinc/38/12/20/1066381220.db2.gz IAXJBYWWJOJGJG-SDHOMARFSA-N 2 1 496.744 4.938 20 0 JJADMP CC[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C)[NH+]1CCCC1 ZINC001545964222 1066403480 /nfs/dbraw/zinc/40/34/80/1066403480.db2.gz ABOFRHNDMFJTTD-QWFCFKBJSA-N 2 1 463.045 4.531 20 0 JJADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)c1 ZINC001455987645 1066467112 /nfs/dbraw/zinc/46/71/12/1066467112.db2.gz UQODKSMOTSIPAO-AREMUKBSSA-N 2 1 452.618 4.658 20 0 JJADMP O=C(c1ccc(NC2=[NH+]CCC2)cc1)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001444864656 1066514593 /nfs/dbraw/zinc/51/45/93/1066514593.db2.gz NPFNFMSYEGNLJL-HXUWFJFHSA-N 2 1 458.528 4.817 20 0 JJADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCCOc1cccc2ccccc21 ZINC001445190664 1066544418 /nfs/dbraw/zinc/54/44/18/1066544418.db2.gz QOFVEULVHHTXOX-UHFFFAOYSA-N 2 1 451.655 4.654 20 0 JJADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@H](C(C)C)[NH+](C)C)C2 ZINC001457717049 1066903753 /nfs/dbraw/zinc/90/37/53/1066903753.db2.gz VLYAVMZIGYBAEC-PGRDOPGGSA-N 2 1 451.442 4.676 20 0 JJADMP CC[C@@H](c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1CC(C)(C)[NH+]1CCC(OC)CC1)c1ccccc1 ZINC001545730634 1066988299 /nfs/dbraw/zinc/98/82/99/1066988299.db2.gz CUTATAQXPVNIKJ-PPJWLVRDSA-N 2 1 496.744 4.628 20 0 JJADMP CC[C@H](c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@H](C(C)C)[NH+]1CCCC1)c1ccccc1 ZINC001545752111 1067026520 /nfs/dbraw/zinc/02/65/20/1067026520.db2.gz RBTNNOVEHKAJPO-IZZNHLLZSA-N 2 1 466.718 4.861 20 0 JJADMP CC[C@@H](c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@H](C(C)C)[NH+]1CCCC1)c1ccccc1 ZINC001545752110 1067026739 /nfs/dbraw/zinc/02/67/39/1067026739.db2.gz RBTNNOVEHKAJPO-FTJBHMTQSA-N 2 1 466.718 4.861 20 0 JJADMP CC[C@@H](c1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1CC[N@H+]1CCC[C@@H]1C)c1ccccc1 ZINC001545752492 1067028093 /nfs/dbraw/zinc/02/80/93/1067028093.db2.gz YITRVHYSTXNMJO-LADGPHEKSA-N 2 1 452.691 4.615 20 0 JJADMP CC[C@@H](c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC[NH+]1CCC[C@@H]1C)c1ccccc1 ZINC001545752492 1067028109 /nfs/dbraw/zinc/02/81/09/1067028109.db2.gz YITRVHYSTXNMJO-LADGPHEKSA-N 2 1 452.691 4.615 20 0 JJADMP CC[C@@H](c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC[NH+]1CCC[C@@H]1C)c1ccccc1 ZINC001545752492 1067028121 /nfs/dbraw/zinc/02/81/21/1067028121.db2.gz YITRVHYSTXNMJO-LADGPHEKSA-N 2 1 452.691 4.615 20 0 JJADMP C[C@@H]1[C@@H](NC(=O)[C@@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001450801342 1067123232 /nfs/dbraw/zinc/12/32/32/1067123232.db2.gz SDIBCVDOYWYHJD-UIUQJESISA-N 2 1 459.609 4.806 20 0 JJADMP C[C@@H]1[C@@H](NC(=O)[C@@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001450801342 1067123235 /nfs/dbraw/zinc/12/32/35/1067123235.db2.gz SDIBCVDOYWYHJD-UIUQJESISA-N 2 1 459.609 4.806 20 0 JJADMP CCC(CC)[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[N@H+](C(C)C)CC1)[NH+](C)C ZINC001545817376 1067149215 /nfs/dbraw/zinc/14/92/15/1067149215.db2.gz IXOZYHACQKFZRZ-XMMPIXPASA-N 2 1 475.125 4.809 20 0 JJADMP CCC(CC)[C@H](Cn1c(CC2CCCC2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1)[NH+](C)C ZINC001545819420 1067154458 /nfs/dbraw/zinc/15/44/58/1067154458.db2.gz FLTLWNDCIUBKIY-OFVILXPXSA-N 2 1 458.739 4.688 20 0 JJADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001459668476 1067377505 /nfs/dbraw/zinc/37/75/05/1067377505.db2.gz HFUBJRNMRLICNO-REWPJTCUSA-N 2 1 451.659 4.793 20 0 JJADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001459668476 1067377518 /nfs/dbraw/zinc/37/75/18/1067377518.db2.gz HFUBJRNMRLICNO-REWPJTCUSA-N 2 1 451.659 4.793 20 0 JJADMP CC(C)(CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC001459742433 1067402028 /nfs/dbraw/zinc/40/20/28/1067402028.db2.gz ODNQHFLUJYMPKK-LOSJGSFVSA-N 2 1 454.058 4.794 20 0 JJADMP CC[N@@H+](CCC1CC[NH+]([C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@H]2O)CC1)CC(C)C ZINC001459813981 1067435059 /nfs/dbraw/zinc/43/50/59/1067435059.db2.gz RGGJRXLCEXNUGO-JWQCQUIFSA-N 2 1 459.675 4.924 20 0 JJADMP C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1cccc(OC(F)F)c1 ZINC001459850118 1067455189 /nfs/dbraw/zinc/45/51/89/1067455189.db2.gz ZTPNSZYRONBTRT-HRAATJIYSA-N 2 1 451.945 4.545 20 0 JJADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCOc2c(Br)cccc2Br)cc1 ZINC001459875531 1067469430 /nfs/dbraw/zinc/46/94/30/1067469430.db2.gz DQHKMVLCTOYTMF-UHFFFAOYSA-N 2 1 456.222 4.784 20 0 JJADMP O=C(CC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)Nc1cccc(Br)c1 ZINC001459894350 1067477155 /nfs/dbraw/zinc/47/71/55/1067477155.db2.gz YTWRGRBZBUDUHG-UHFFFAOYSA-N 2 1 456.428 4.766 20 0 JJADMP C[N@@H+](Cc1ccccc1)C[C@H](C[NH2+][C@@H](CO)c1ccc(Br)cc1)c1ccccc1 ZINC001460184440 1067573834 /nfs/dbraw/zinc/57/38/34/1067573834.db2.gz XVJXWNVQCBCEPW-ZCYQVOJMSA-N 2 1 453.424 4.988 20 0 JJADMP C[N@H+](Cc1ccccc1)C[C@H](C[NH2+][C@@H](CO)c1ccc(Br)cc1)c1ccccc1 ZINC001460184440 1067573843 /nfs/dbraw/zinc/57/38/43/1067573843.db2.gz XVJXWNVQCBCEPW-ZCYQVOJMSA-N 2 1 453.424 4.988 20 0 JJADMP 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 1067713301 /nfs/dbraw/zinc/71/33/01/1067713301.db2.gz BNIBFNDUFDVIAC-OAHLLOKOSA-N 2 1 451.677 4.637 20 0 JJADMP C[C@@]1(NCCCOc2ccc(S(C)(=O)=O)cc2)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001460876654 1067740496 /nfs/dbraw/zinc/74/04/96/1067740496.db2.gz XDRWTXPBMMUULE-WUFINQPMSA-N 2 1 478.658 4.507 20 0 JJADMP Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001461122692 1067785684 /nfs/dbraw/zinc/78/56/84/1067785684.db2.gz ULMVIBSSBICBFS-NRFANRHFSA-N 2 1 453.428 4.945 20 0 JJADMP Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001461122692 1067785688 /nfs/dbraw/zinc/78/56/88/1067785688.db2.gz ULMVIBSSBICBFS-NRFANRHFSA-N 2 1 453.428 4.945 20 0 JJADMP Ic1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC001461820935 1067941710 /nfs/dbraw/zinc/94/17/10/1067941710.db2.gz YBLWOFDICGCCPC-FGTMMUONSA-N 2 1 452.405 4.743 20 0 JJADMP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccc(N3CCC[C@H](C(=O)OC(C)(C)C)C3)o2)n1 ZINC001461863002 1067949707 /nfs/dbraw/zinc/94/97/07/1067949707.db2.gz AFAIKXWHMPKGLU-LEWJYISDSA-N 2 1 454.615 4.618 20 0 JJADMP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccc(N3CCC[C@@H](C(=O)OC(C)(C)C)C3)o2)n1 ZINC001461863004 1067949772 /nfs/dbraw/zinc/94/97/72/1067949772.db2.gz AFAIKXWHMPKGLU-RTWAWAEBSA-N 2 1 454.615 4.618 20 0 JJADMP CC[NH+]1CCN(c2cccc(N[C@@H]3CC[N@H+](C)[C@@H](c4ccc(Br)cc4)C3)c2)CC1 ZINC001462122790 1068010079 /nfs/dbraw/zinc/01/00/79/1068010079.db2.gz AQVDTXFWFHHJON-ISKFKSNPSA-N 2 1 457.460 4.838 20 0 JJADMP CC[NH+]1CCN(c2cccc(N[C@@H]3CC[N@@H+](C)[C@@H](c4ccc(Br)cc4)C3)c2)CC1 ZINC001462122790 1068010094 /nfs/dbraw/zinc/01/00/94/1068010094.db2.gz AQVDTXFWFHHJON-ISKFKSNPSA-N 2 1 457.460 4.838 20 0 JJADMP C[NH+]1CCN(CC[N@@H+](CCC2CCCCCC2)Cc2ccc(Br)cc2F)CC1 ZINC001462200420 1068027910 /nfs/dbraw/zinc/02/79/10/1068027910.db2.gz IMUZKRAYKSLWNE-UHFFFAOYSA-N 2 1 454.472 4.998 20 0 JJADMP COC(=O)[C@@H](C)Oc1ccc(C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001462256257 1068039213 /nfs/dbraw/zinc/03/92/13/1068039213.db2.gz AWICBAQRIAXOPJ-QFQXNSOFSA-N 2 1 450.623 4.750 20 0 JJADMP CNC(=O)[C@H](C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)Cc1ccc(C(F)(F)F)cc1 ZINC001462406080 1068067241 /nfs/dbraw/zinc/06/72/41/1068067241.db2.gz AWQQHHGOLDFTPF-ODGPQVTHSA-N 2 1 459.556 4.568 20 0 JJADMP CNC(=O)[C@H](C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)Cc1ccc(C(F)(F)F)cc1 ZINC001462406080 1068067251 /nfs/dbraw/zinc/06/72/51/1068067251.db2.gz AWQQHHGOLDFTPF-ODGPQVTHSA-N 2 1 459.556 4.568 20 0 JJADMP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cccc(F)c3OCC(F)(F)F)C2)ccn1 ZINC001462460713 1068079183 /nfs/dbraw/zinc/07/91/83/1068079183.db2.gz ZHAFOBITZZTWHB-FQEVSTJZSA-N 2 1 455.496 4.655 20 0 JJADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cccc(F)c3OCC(F)(F)F)C2)ccn1 ZINC001462460713 1068079196 /nfs/dbraw/zinc/07/91/96/1068079196.db2.gz ZHAFOBITZZTWHB-FQEVSTJZSA-N 2 1 455.496 4.655 20 0 JJADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cccc(F)c3OCC(F)(F)F)C2)ccn1 ZINC001462460713 1068079211 /nfs/dbraw/zinc/07/92/11/1068079211.db2.gz ZHAFOBITZZTWHB-FQEVSTJZSA-N 2 1 455.496 4.655 20 0 JJADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cccc(F)c3OCC(F)(F)F)C2)ccn1 ZINC001462460713 1068079225 /nfs/dbraw/zinc/07/92/25/1068079225.db2.gz ZHAFOBITZZTWHB-FQEVSTJZSA-N 2 1 455.496 4.655 20 0 JJADMP CC[N@H+](C)[C@H](C(=O)Nc1ccc(C[NH+]2CCN(c3cccc(C)c3)CC2)cc1)c1ccccc1 ZINC001464131385 1068627681 /nfs/dbraw/zinc/62/76/81/1068627681.db2.gz BYHKILWHEFWYIX-NDEPHWFRSA-N 2 1 456.634 4.949 20 0 JJADMP CC[N@@H+](C)[C@H](C(=O)Nc1ccc(C[NH+]2CCN(c3cccc(C)c3)CC2)cc1)c1ccccc1 ZINC001464131385 1068627686 /nfs/dbraw/zinc/62/76/86/1068627686.db2.gz BYHKILWHEFWYIX-NDEPHWFRSA-N 2 1 456.634 4.949 20 0 JJADMP FC(F)(F)[C@H]1CCC2(CC[NH2+]CC2)N1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164414161 718880884 /nfs/dbraw/zinc/88/08/84/718880884.db2.gz QZYMLVHTCZBWAH-GOSISDBHSA-N 2 1 479.616 4.819 20 0 JJADMP c1ccc([C@H]2C[NH2+]C[C@]23CCN(c2nc(C[NH+]4CCCCC4)nc4sc5c(c42)CCC5)C3)cc1 ZINC001164621324 719047943 /nfs/dbraw/zinc/04/79/43/719047943.db2.gz IOSXPNQZAUKYGW-DFHRPNOPSA-N 2 1 473.690 4.749 20 0 JJADMP CC[N@H+]1CCCC[C@H]1c1ccc(N(Cc2cccnc2)c2ccc3nc(C4CC[NH2+]CC4)nn3c2)nc1 ZINC001164631578 719138562 /nfs/dbraw/zinc/13/85/62/719138562.db2.gz NVTLBDACMZDRIG-SANMLTNESA-N 2 1 496.663 4.872 20 0 JJADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N([C@@H]2CCC23CC[NH2+]CC3)S(=O)(=O)c2ccccc2)nc1 ZINC001164688595 719592458 /nfs/dbraw/zinc/59/24/58/719592458.db2.gz YBDTXBMVNUFRJN-JWQCQUIFSA-N 2 1 482.694 4.746 20 0 JJADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N([C@H]2CCC23CC[NH2+]CC3)S(=O)(=O)c2ccccc2)nc1 ZINC001164688598 719592606 /nfs/dbraw/zinc/59/26/06/719592606.db2.gz YBDTXBMVNUFRJN-RPBOFIJWSA-N 2 1 482.694 4.746 20 0 JJADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]c(N3CCCC3)cc3ccccc31)CC2 ZINC001164714865 720145429 /nfs/dbraw/zinc/14/54/29/720145429.db2.gz ZXRKIFJOYHYXOX-VWLOTQADSA-N 2 1 471.649 4.738 20 0 JJADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C[NH+](C)C)nc3scc(-c4ccccc4)c31)C2 ZINC001164816891 720186754 /nfs/dbraw/zinc/18/67/54/720186754.db2.gz NOSFGRDYSLWKBA-DWACAAAGSA-N 2 1 491.705 4.605 20 0 JJADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(C[NH+](C)C)nc3scc(-c4ccccc4)c31)C2 ZINC001164816891 720186760 /nfs/dbraw/zinc/18/67/60/720186760.db2.gz NOSFGRDYSLWKBA-DWACAAAGSA-N 2 1 491.705 4.605 20 0 JJADMP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C[NH+](C)C)nc3scc(-c4ccccc4)c31)C2 ZINC001164816889 720187794 /nfs/dbraw/zinc/18/77/94/720187794.db2.gz NOSFGRDYSLWKBA-DFHRPNOPSA-N 2 1 491.705 4.605 20 0 JJADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(C[NH+](C)C)nc3scc(-c4ccccc4)c31)C2 ZINC001164816889 720187808 /nfs/dbraw/zinc/18/78/08/720187808.db2.gz NOSFGRDYSLWKBA-DFHRPNOPSA-N 2 1 491.705 4.605 20 0 JJADMP COc1cc(Oc2cc[nH+]c(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)c2)ccc1OCc1ccccc1 ZINC001164735132 720520920 /nfs/dbraw/zinc/52/09/20/720520920.db2.gz UOTJJSLSPWQKCO-QHCPKHFHSA-N 2 1 499.615 4.856 20 0 JJADMP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001164841294 720696198 /nfs/dbraw/zinc/69/61/98/720696198.db2.gz IXWVRSJLEOMGIX-HSZRJFAPSA-N 2 1 455.046 4.591 20 0 JJADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001164841294 720696205 /nfs/dbraw/zinc/69/62/05/720696205.db2.gz IXWVRSJLEOMGIX-HSZRJFAPSA-N 2 1 455.046 4.591 20 0 JJADMP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164748527 720915679 /nfs/dbraw/zinc/91/56/79/720915679.db2.gz GRJPDGUQLOEWSS-JTSJOTPCSA-N 2 1 497.687 4.985 20 0 JJADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)c2c1C ZINC001164862712 721004035 /nfs/dbraw/zinc/00/40/35/721004035.db2.gz UBBLJENOXBJADP-SFHVURJKSA-N 2 1 467.687 4.522 20 0 JJADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)c2c1C ZINC001164862712 721004044 /nfs/dbraw/zinc/00/40/44/721004044.db2.gz UBBLJENOXBJADP-SFHVURJKSA-N 2 1 467.687 4.522 20 0 JJADMP Clc1ncc2c(c1N1CC3(C1)CC[N@@H+](CC1CC1)C3)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164767873 721295246 /nfs/dbraw/zinc/29/52/46/721295246.db2.gz AQBLDXGVOIFQMA-UHFFFAOYSA-N 2 1 479.068 4.679 20 0 JJADMP Cc1cccc(N(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164777411 721329711 /nfs/dbraw/zinc/32/97/11/721329711.db2.gz MZTLFIAWPOVMNI-LITSAYRRSA-N 2 1 454.618 4.607 20 0 JJADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(c3cccc(C)c3)[C@@H]3CO[C@]4(CC[NH2+]C4)C3)c2c1C ZINC001164778395 721329796 /nfs/dbraw/zinc/32/97/96/721329796.db2.gz VCANJSAUQOSDBE-WXVAWEFUSA-N 2 1 477.678 4.871 20 0 JJADMP FC1(F)CCN(c2[nH+]cnc3c2ccn3Cc2ccccc2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164908058 721709244 /nfs/dbraw/zinc/70/92/44/721709244.db2.gz UXQMTMKTVCGFLX-AREMUKBSSA-N 2 1 474.559 4.612 20 0 JJADMP FC1(F)CCN(c2[nH+]cnc3c2ccn3Cc2ccccc2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164908058 721709251 /nfs/dbraw/zinc/70/92/51/721709251.db2.gz UXQMTMKTVCGFLX-AREMUKBSSA-N 2 1 474.559 4.612 20 0 JJADMP FC1(F)CCN(c2[nH+]cnc3c2ccn3Cc2ccccc2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164908061 721709912 /nfs/dbraw/zinc/70/99/12/721709912.db2.gz UXQMTMKTVCGFLX-SANMLTNESA-N 2 1 474.559 4.612 20 0 JJADMP FC1(F)CCN(c2[nH+]cnc3c2ccn3Cc2ccccc2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164908061 721709919 /nfs/dbraw/zinc/70/99/19/721709919.db2.gz UXQMTMKTVCGFLX-SANMLTNESA-N 2 1 474.559 4.612 20 0 JJADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3[nH+]cnc4c3ccn4Cc3ccccc3)C[C@@H]21 ZINC001165029379 721815004 /nfs/dbraw/zinc/81/50/04/721815004.db2.gz YUJJWTWWKWFPIW-UCGXPXSYSA-N 2 1 452.606 4.612 20 0 JJADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3[nH+]cnc4c3ccn4Cc3ccccc3)C[C@@H]21 ZINC001165029379 721815007 /nfs/dbraw/zinc/81/50/07/721815007.db2.gz YUJJWTWWKWFPIW-UCGXPXSYSA-N 2 1 452.606 4.612 20 0 JJADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@H]4CCCO[C@H]43)c2c1C ZINC001164958826 722051314 /nfs/dbraw/zinc/05/13/14/722051314.db2.gz GWONTMDLHPHMOK-DNRQZRRGSA-N 2 1 492.693 4.594 20 0 JJADMP Cc1ccc(N(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001164968260 722078619 /nfs/dbraw/zinc/07/86/19/722078619.db2.gz YHWLVSFCJYXBJM-UHFFFAOYSA-N 2 1 476.628 4.896 20 0 JJADMP CC(C)Cc1nnc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1C[C@@H]1[NH+](C)CCCC1(C)C ZINC001359778081 1064423026 /nfs/dbraw/zinc/42/30/26/1064423026.db2.gz YJFNYFNICMTVNJ-RPBOFIJWSA-N 2 1 466.718 4.698 20 0 JJADMP CC(C)Cc1nnc(N(C)[C@@H]2CCC[NH+](Cc3ccccc3)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001359778081 1064423030 /nfs/dbraw/zinc/42/30/30/1064423030.db2.gz YJFNYFNICMTVNJ-RPBOFIJWSA-N 2 1 466.718 4.698 20 0 JJADMP CC(C)Cc1nnc(N(C)[C@@H]2CCC[NH+](Cc3ccccc3)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001359778081 1064423039 /nfs/dbraw/zinc/42/30/39/1064423039.db2.gz YJFNYFNICMTVNJ-RPBOFIJWSA-N 2 1 466.718 4.698 20 0 JJADMP CC(C)Cc1nnc(N2CCC(C[NH+](C)Cc3ccccc3)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001359807754 1064478232 /nfs/dbraw/zinc/47/82/32/1064478232.db2.gz CCIRDNJLQPJAHQ-HHHXNRCGSA-N 2 1 480.745 4.945 20 0 JJADMP CC(C)Cc1nnc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1C[C@@H]1CCC[NH+](C(C)C)C1 ZINC001359807754 1064478234 /nfs/dbraw/zinc/47/82/34/1064478234.db2.gz CCIRDNJLQPJAHQ-HHHXNRCGSA-N 2 1 480.745 4.945 20 0 JJADMP CC(C)Cc1nnc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1C[C@@H]1CCC[NH+](C(C)C)C1 ZINC001359807754 1064478238 /nfs/dbraw/zinc/47/82/38/1064478238.db2.gz CCIRDNJLQPJAHQ-HHHXNRCGSA-N 2 1 480.745 4.945 20 0 JJADMP CC(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001359833433 1064519084 /nfs/dbraw/zinc/51/90/84/1064519084.db2.gz XOGINYUAQMDGAZ-ISJGIBHGSA-N 2 1 458.739 4.545 20 0 JJADMP CC(C)Cc1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001359841680 1064529174 /nfs/dbraw/zinc/52/91/74/1064529174.db2.gz YABDUCWVCSPXII-QDPGVEIFSA-N 2 1 484.708 4.839 20 0 JJADMP CC(C)Cc1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001359849299 1064535406 /nfs/dbraw/zinc/53/54/06/1064535406.db2.gz IANQGQQUQFWOHF-NRFANRHFSA-N 2 1 458.720 4.543 20 0 JJADMP CC(C)Cc1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001359849299 1064535422 /nfs/dbraw/zinc/53/54/22/1064535422.db2.gz IANQGQQUQFWOHF-NRFANRHFSA-N 2 1 458.720 4.543 20 0 JJADMP CC(C)Cc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001359861576 1064551827 /nfs/dbraw/zinc/55/18/27/1064551827.db2.gz ZOEDTTLRLHITLK-GGAORHGYSA-N 2 1 466.699 4.552 20 0 JJADMP CC(C)C[NH+]1CCN(c2nnc(CC(C)(C)C)n2CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001360028196 1064829430 /nfs/dbraw/zinc/82/94/30/1064829430.db2.gz YRFVRXFXJMWQOR-AHWVRZQESA-N 2 1 480.745 4.945 20 0 JJADMP CC(C)[N@@H+](C)Cc1ccccc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001360092165 1064960053 /nfs/dbraw/zinc/96/00/53/1064960053.db2.gz UYIHMIMWSKSIQP-UHFFFAOYSA-N 2 1 496.103 4.803 20 0 JJADMP CC(C)[NH+](C)Cc1ccccc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001360092165 1064960075 /nfs/dbraw/zinc/96/00/75/1064960075.db2.gz UYIHMIMWSKSIQP-UHFFFAOYSA-N 2 1 496.103 4.803 20 0 JJADMP CC(C)[NH+](C)Cc1ccccc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001360092165 1064960096 /nfs/dbraw/zinc/96/00/96/1064960096.db2.gz UYIHMIMWSKSIQP-UHFFFAOYSA-N 2 1 496.103 4.803 20 0 JJADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cccc4cccnc43)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001360092902 1064964835 /nfs/dbraw/zinc/96/48/35/1064964835.db2.gz WWWFRDQFSHTSMW-UHFFFAOYSA-N 2 1 477.701 4.638 20 0 JJADMP CC(C)[N@@H+](C)CCCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001360100666 1064979984 /nfs/dbraw/zinc/97/99/84/1064979984.db2.gz RVXHHVFBKITLRD-UHFFFAOYSA-N 2 1 465.690 4.715 20 0 JJADMP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H]2CSCC[NH+]2Cc2ccccc2)c1 ZINC001435875310 1065038039 /nfs/dbraw/zinc/03/80/39/1065038039.db2.gz GMAHBQAYNRTKJM-HHHXNRCGSA-N 2 1 459.659 4.666 20 0 JJADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H]2CSCC[NH+]2Cc2ccccc2)c1 ZINC001435875310 1065038054 /nfs/dbraw/zinc/03/80/54/1065038054.db2.gz GMAHBQAYNRTKJM-HHHXNRCGSA-N 2 1 459.659 4.666 20 0 JJADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)c1 ZINC001435875310 1065038064 /nfs/dbraw/zinc/03/80/64/1065038064.db2.gz GMAHBQAYNRTKJM-HHHXNRCGSA-N 2 1 459.659 4.666 20 0 JJADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)c1 ZINC001435875310 1065038079 /nfs/dbraw/zinc/03/80/79/1065038079.db2.gz GMAHBQAYNRTKJM-HHHXNRCGSA-N 2 1 459.659 4.666 20 0 JJADMP CC(C)[N@H+]1CCC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001360141611 1065041274 /nfs/dbraw/zinc/04/12/74/1065041274.db2.gz QRSWRVRAFDYMAQ-JOCHJYFZSA-N 2 1 473.109 4.563 20 0 JJADMP CC(C)[NH+](CCn1c(-c2ccccc2Br)nnc1N1CCC[N@H+](C(C)C)CC1)C(C)C ZINC001360144467 1065046090 /nfs/dbraw/zinc/04/60/90/1065046090.db2.gz JWLQKCIZKUYRLQ-UHFFFAOYSA-N 2 1 491.522 4.747 20 0 JJADMP CC(C)[NH2+]C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001360308957 1065144579 /nfs/dbraw/zinc/14/45/79/1065144579.db2.gz PINGZDHPZGXHCG-NRFANRHFSA-N 2 1 488.671 4.769 20 0 JJADMP CC(C)[NH2+]C1CCN(c2nnc(Cc3ccsc3)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001360309641 1065145965 /nfs/dbraw/zinc/14/59/65/1065145965.db2.gz IFTBSLQBEXTLIU-NRFANRHFSA-N 2 1 458.720 4.552 20 0 JJADMP CCC[N@H+](C)[C@@H](CNC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(Cl)cc1 ZINC001436197597 1065245555 /nfs/dbraw/zinc/24/55/55/1065245555.db2.gz KKLAFHWXFYJMFM-DFIYOIEZSA-N 2 1 458.046 4.762 20 0 JJADMP CCC[N@@H+](C)[C@@H](CNC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(Cl)cc1 ZINC001436197597 1065245565 /nfs/dbraw/zinc/24/55/65/1065245565.db2.gz KKLAFHWXFYJMFM-DFIYOIEZSA-N 2 1 458.046 4.762 20 0 JJADMP CCC[NH+](C)[C@@H](CNC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(Cl)cc1 ZINC001436197597 1065245579 /nfs/dbraw/zinc/24/55/79/1065245579.db2.gz KKLAFHWXFYJMFM-DFIYOIEZSA-N 2 1 458.046 4.762 20 0 JJADMP CCC[NH+](C)[C@@H](CNC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(Cl)cc1 ZINC001436197597 1065245592 /nfs/dbraw/zinc/24/55/92/1065245592.db2.gz KKLAFHWXFYJMFM-DFIYOIEZSA-N 2 1 458.046 4.762 20 0 JJADMP C[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001360537150 1065520607 /nfs/dbraw/zinc/52/06/07/1065520607.db2.gz XUYNBVKNUKRAKQ-IBGZPJMESA-N 2 1 459.082 4.639 20 0 JJADMP C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[N@H+](C(C)(C)C)CC1)[NH+](C)C1CC1 ZINC001360540692 1065526047 /nfs/dbraw/zinc/52/60/47/1065526047.db2.gz FAYGFXOCRAJNAN-QGZVFWFLSA-N 2 1 463.045 4.531 20 0 JJADMP C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[NH+](C(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001360540692 1065526056 /nfs/dbraw/zinc/52/60/56/1065526056.db2.gz FAYGFXOCRAJNAN-QGZVFWFLSA-N 2 1 463.045 4.531 20 0 JJADMP C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[NH+](C(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001360540692 1065526074 /nfs/dbraw/zinc/52/60/74/1065526074.db2.gz FAYGFXOCRAJNAN-QGZVFWFLSA-N 2 1 463.045 4.531 20 0 JJADMP C[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001360586934 1065587866 /nfs/dbraw/zinc/58/78/66/1065587866.db2.gz IZVRYUHQVOQEHJ-GOSISDBHSA-N 2 1 477.122 4.627 20 0 JJADMP C[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)C[NH+]1CCCC1 ZINC001360592515 1065601804 /nfs/dbraw/zinc/60/18/04/1065601804.db2.gz WZJXMJOODKMPDM-HXUWFJFHSA-N 2 1 490.643 4.589 20 0 JJADMP CC(C)c1nnc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001360597516 1065614664 /nfs/dbraw/zinc/61/46/64/1065614664.db2.gz OPHXXGIGRSGWTJ-DEOSSOPVSA-N 2 1 466.718 4.872 20 0 JJADMP C[C@@H](Cn1c(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)nnc1C(C)(C)C)C[NH+]1CCCCC1 ZINC001360603650 1065628841 /nfs/dbraw/zinc/62/88/41/1065628841.db2.gz WHUKVTUOWWTLFG-RPWUZVMVSA-N 2 1 466.718 4.798 20 0 JJADMP CC(C)[N@@H+](C)CCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001360744126 1065780954 /nfs/dbraw/zinc/78/09/54/1065780954.db2.gz OGDFJXHMKMZSHA-QFIPXVFZSA-N 2 1 486.680 4.742 20 0 JJADMP C[C@@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001360773475 1065871854 /nfs/dbraw/zinc/87/18/54/1065871854.db2.gz IUMCULCHMHILNL-SFTDATJTSA-N 2 1 486.680 4.598 20 0 JJADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)Cc1ccccc1 ZINC001440676768 1065963234 /nfs/dbraw/zinc/96/32/34/1065963234.db2.gz PKDPJQUJXUYVGP-OZNIXHKMSA-N 2 1 476.064 4.845 20 0 JJADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1)c1cccc(F)c1 ZINC001440677937 1065963719 /nfs/dbraw/zinc/96/37/19/1065963719.db2.gz VOOZFNZQGUXKMT-WXFUMESZSA-N 2 1 451.611 4.522 20 0 JJADMP Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](CC(C)C)CC3)n2CC[N@H+]2CCCC(C)(C)C2)c1C ZINC001360878657 1066026409 /nfs/dbraw/zinc/02/64/09/1066026409.db2.gz XPXCOASRQNDHFS-RUZDIDTESA-N 2 1 496.744 4.935 20 0 JJADMP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001442716744 1066154823 /nfs/dbraw/zinc/15/48/23/1066154823.db2.gz AJGKHXRLVKBGCG-UHFFFAOYSA-N 2 1 453.414 4.561 20 0 JJADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC001360996405 1066175085 /nfs/dbraw/zinc/17/50/85/1066175085.db2.gz JEUCDAZUHSUIAY-DNRQZRRGSA-N 2 1 455.668 4.814 20 0 JJADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001360996405 1066175091 /nfs/dbraw/zinc/17/50/91/1066175091.db2.gz JEUCDAZUHSUIAY-DNRQZRRGSA-N 2 1 455.668 4.814 20 0 JJADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001360996405 1066175098 /nfs/dbraw/zinc/17/50/98/1066175098.db2.gz JEUCDAZUHSUIAY-DNRQZRRGSA-N 2 1 455.668 4.814 20 0 JJADMP CCCN(C(=O)C1CC[NH+](Cc2csc(C)n2)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001442886470 1066237175 /nfs/dbraw/zinc/23/71/75/1066237175.db2.gz YAPUVSCPBKOBDD-VWLOTQADSA-N 2 1 454.684 4.567 20 0 JJADMP CCCN(C(=O)C1CC[NH+](Cc2csc(C)n2)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001442886470 1066237189 /nfs/dbraw/zinc/23/71/89/1066237189.db2.gz YAPUVSCPBKOBDD-VWLOTQADSA-N 2 1 454.684 4.567 20 0 JJADMP C[NH+](C)C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC001454574093 1066302858 /nfs/dbraw/zinc/30/28/58/1066302858.db2.gz ITQVACKJEJOOMM-XMSQKQJNSA-N 2 1 452.401 4.764 20 0 JJADMP Cc1ccc(C)c(OCc2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CC[N@H+](C)C2CCCC2)c1 ZINC001361159222 1066463995 /nfs/dbraw/zinc/46/39/95/1066463995.db2.gz SULCVMIYWHWWTJ-UHFFFAOYSA-N 2 1 482.717 4.659 20 0 JJADMP Cc1ccc(C)c(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC[NH+](C)C2CCCC2)c1 ZINC001361159222 1066463998 /nfs/dbraw/zinc/46/39/98/1066463998.db2.gz SULCVMIYWHWWTJ-UHFFFAOYSA-N 2 1 482.717 4.659 20 0 JJADMP Cc1ccc(C)c(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC[NH+](C)C2CCCC2)c1 ZINC001361159222 1066464004 /nfs/dbraw/zinc/46/40/04/1066464004.db2.gz SULCVMIYWHWWTJ-UHFFFAOYSA-N 2 1 482.717 4.659 20 0 JJADMP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001361192142 1066519250 /nfs/dbraw/zinc/51/92/50/1066519250.db2.gz HZWFIICPBAUOLH-NOZRDPDXSA-N 2 1 459.556 4.737 20 0 JJADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC001445187947 1066544293 /nfs/dbraw/zinc/54/42/93/1066544293.db2.gz LZJUIMAMQVYZRW-UHFFFAOYSA-N 2 1 451.442 4.743 20 0 JJADMP CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@H](C[NH+](CC)CC)C1)[N@H+]1CCc2ccccc2C1 ZINC001545994819 1066796858 /nfs/dbraw/zinc/79/68/58/1066796858.db2.gz GUBPNMRSDCZJTC-ZEQKJWHPSA-N 2 1 480.745 4.872 20 0 JJADMP Cc1[nH+]ccn1CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001492706005 1066866819 /nfs/dbraw/zinc/86/68/19/1066866819.db2.gz ZGNDXTWMDNDDCK-UHFFFAOYSA-N 2 1 474.028 4.501 20 0 JJADMP Cc1[nH+]ccn1CCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001492708828 1066873054 /nfs/dbraw/zinc/87/30/54/1066873054.db2.gz NAIPNFZDFYGPOW-UHFFFAOYSA-N 2 1 493.700 4.528 20 0 JJADMP CC[C@H](Cn1c(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001546014391 1067010000 /nfs/dbraw/zinc/01/00/00/1067010000.db2.gz HXMZYSLMPLFVEU-ISKFKSNPSA-N 2 1 458.739 4.931 20 0 JJADMP CC[C@@H](c1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC001545752365 1067027724 /nfs/dbraw/zinc/02/77/24/1067027724.db2.gz WCFIZMYLNGRKLD-BFLUCZKCSA-N 2 1 466.718 4.861 20 0 JJADMP CC[C@@H](c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@@H](C)[NH+]1CCC[C@H](C)C1)c1ccccc1 ZINC001545752365 1067027734 /nfs/dbraw/zinc/02/77/34/1067027734.db2.gz WCFIZMYLNGRKLD-BFLUCZKCSA-N 2 1 466.718 4.861 20 0 JJADMP CC[C@@H](c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@H](C)[NH+]1CCC[C@H](C)C1)c1ccccc1 ZINC001545752365 1067027745 /nfs/dbraw/zinc/02/77/45/1067027745.db2.gz WCFIZMYLNGRKLD-BFLUCZKCSA-N 2 1 466.718 4.861 20 0 JJADMP CC[C@@H](c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1CC1([NH+](C)C)CCCCC1)c1ccccc1 ZINC001545758412 1067037689 /nfs/dbraw/zinc/03/76/89/1067037689.db2.gz GSTSANMXHYERRQ-ISKFKSNPSA-N 2 1 452.691 4.615 20 0 JJADMP C[C@@H]1[C@H](NC(=O)[C@@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001450801323 1067122623 /nfs/dbraw/zinc/12/26/23/1067122623.db2.gz SDIBCVDOYWYHJD-KEKPKEOLSA-N 2 1 459.609 4.806 20 0 JJADMP C[C@@H]1[C@H](NC(=O)[C@@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001450801323 1067122627 /nfs/dbraw/zinc/12/26/27/1067122627.db2.gz SDIBCVDOYWYHJD-KEKPKEOLSA-N 2 1 459.609 4.806 20 0 JJADMP COc1ccc(-c2csc(NC(=O)[C@H](C)[NH+]3CCC(CCC[NH+]4CCCC4)CC3)n2)cc1 ZINC001459799380 1067428705 /nfs/dbraw/zinc/42/87/05/1067428705.db2.gz SRFGTAZLLYSXBM-IBGZPJMESA-N 2 1 456.656 4.734 20 0 JJADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(CSc2ccccn2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001459928301 1067495411 /nfs/dbraw/zinc/49/54/11/1067495411.db2.gz ZEWZERDDIINCGQ-RZUBCFFCSA-N 2 1 452.668 4.944 20 0 JJADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(CSc2ccccn2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001459928301 1067495415 /nfs/dbraw/zinc/49/54/15/1067495415.db2.gz ZEWZERDDIINCGQ-RZUBCFFCSA-N 2 1 452.668 4.944 20 0 JJADMP C[N@@H+](Cc1ccccc1)C[C@@H](C[NH2+][C@@H](CO)c1cccc(Br)c1)c1ccccc1 ZINC001459934881 1067497989 /nfs/dbraw/zinc/49/79/89/1067497989.db2.gz UYKJRROYSQYHQF-NOZRDPDXSA-N 2 1 453.424 4.988 20 0 JJADMP C[N@H+](Cc1ccccc1)C[C@@H](C[NH2+][C@@H](CO)c1cccc(Br)c1)c1ccccc1 ZINC001459934881 1067497993 /nfs/dbraw/zinc/49/79/93/1067497993.db2.gz UYKJRROYSQYHQF-NOZRDPDXSA-N 2 1 453.424 4.988 20 0 JJADMP CC(C)(C)OC(=O)NCCC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC001460184121 1067573736 /nfs/dbraw/zinc/57/37/36/1067573736.db2.gz ITRLVIJJBGOTAO-RUZDIDTESA-N 2 1 453.627 4.655 20 0 JJADMP CC(C)(C)OC(=O)N1CCC(CCC[N@@H+]2CCC[NH+](Cc3ccccc3)CCOCC2)CC1 ZINC001460838366 1067732397 /nfs/dbraw/zinc/73/23/97/1067732397.db2.gz UPIAEBXNOJBDPQ-UHFFFAOYSA-N 2 1 459.675 4.638 20 0 JJADMP CC(C)(C)OC(=O)N1CCC(CCC[N@H+]2CCC[NH+](Cc3ccccc3)CCOCC2)CC1 ZINC001460838366 1067732405 /nfs/dbraw/zinc/73/24/05/1067732405.db2.gz UPIAEBXNOJBDPQ-UHFFFAOYSA-N 2 1 459.675 4.638 20 0 JJADMP CC(C)(C)OC(=O)N1CCC(CCC[NH+]2CCC[N@H+](Cc3ccccc3)CCOCC2)CC1 ZINC001460838366 1067732413 /nfs/dbraw/zinc/73/24/13/1067732413.db2.gz UPIAEBXNOJBDPQ-UHFFFAOYSA-N 2 1 459.675 4.638 20 0 JJADMP CC(C)(C)OC(=O)N1CCC(CCC[NH+]2CCC[N@@H+](Cc3ccccc3)CCOCC2)CC1 ZINC001460838366 1067732421 /nfs/dbraw/zinc/73/24/21/1067732421.db2.gz UPIAEBXNOJBDPQ-UHFFFAOYSA-N 2 1 459.675 4.638 20 0 JJADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cccc(OCc3ccc(F)cc3F)c2)c2cccs2)CC1 ZINC001461003479 1067761027 /nfs/dbraw/zinc/76/10/27/1067761027.db2.gz OVBUMAAEUJIFHX-DEOSSOPVSA-N 2 1 457.590 4.684 20 0 JJADMP COc1cc(Br)c(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1OC ZINC001461381226 1067842642 /nfs/dbraw/zinc/84/26/42/1067842642.db2.gz LBDPUDUTRWHMII-SYYKKAFVSA-N 2 1 459.428 4.857 20 0 JJADMP COc1cc(Br)c(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1OC ZINC001461381226 1067842656 /nfs/dbraw/zinc/84/26/56/1067842656.db2.gz LBDPUDUTRWHMII-SYYKKAFVSA-N 2 1 459.428 4.857 20 0 JJADMP Ic1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC001461382482 1067843435 /nfs/dbraw/zinc/84/34/35/1067843435.db2.gz NKEMKAZPBPNCDM-BHIYHBOVSA-N 2 1 452.405 4.743 20 0 JJADMP CN1CCN(c2cccc(Cl)c2CN[C@@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC001461612813 1067901878 /nfs/dbraw/zinc/90/18/78/1067901878.db2.gz LTRCXBGZHQUURU-NFBKMPQASA-N 2 1 456.030 4.752 20 0 JJADMP CC(C)(C)OC(=O)N[C@H](C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)CC(F)(F)F ZINC001461965162 1067970436 /nfs/dbraw/zinc/97/04/36/1067970436.db2.gz NRBALPUUFWCLNR-FQEVSTJZSA-N 2 1 455.565 4.820 20 0 JJADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001461986559 1067975389 /nfs/dbraw/zinc/97/53/89/1067975389.db2.gz DFQPIXMWPRIMDF-CVNLYIMZSA-N 2 1 456.030 4.956 20 0 JJADMP COCC1(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001462242366 1068036636 /nfs/dbraw/zinc/03/66/36/1068036636.db2.gz XEAZSCDSJXLQTK-LADGPHEKSA-N 2 1 457.659 4.608 20 0 JJADMP COCC1(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001462242366 1068036650 /nfs/dbraw/zinc/03/66/50/1068036650.db2.gz XEAZSCDSJXLQTK-LADGPHEKSA-N 2 1 457.659 4.608 20 0 JJADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2C[NH+](Cc3ccccc3)CCC2(F)F)cc1 ZINC001464166010 1068640433 /nfs/dbraw/zinc/64/04/33/1068640433.db2.gz AEECZXYHZVANAV-SQJMNOBHSA-N 2 1 455.593 4.835 20 0 JJADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC001464166010 1068640441 /nfs/dbraw/zinc/64/04/41/1068640441.db2.gz AEECZXYHZVANAV-SQJMNOBHSA-N 2 1 455.593 4.835 20 0 JJADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC001464166010 1068640445 /nfs/dbraw/zinc/64/04/45/1068640445.db2.gz AEECZXYHZVANAV-SQJMNOBHSA-N 2 1 455.593 4.835 20 0 JJADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3[C@@H](C(F)(F)F)CCC34CC[NH2+]CC4)c2c1C ZINC001164413319 718881526 /nfs/dbraw/zinc/88/15/26/718881526.db2.gz HSKFHKUULKFFLH-MRXNPFEDSA-N 2 1 453.578 4.557 20 0 JJADMP c1ccc([C@H]2C[NH2+]C[C@@]23CCN(c2nc(C[NH+]4CCCCC4)nc4sc5c(c42)CCC5)C3)cc1 ZINC001164621340 719047926 /nfs/dbraw/zinc/04/79/26/719047926.db2.gz IOSXPNQZAUKYGW-SKCUWOTOSA-N 2 1 473.690 4.749 20 0 JJADMP [NH3+]C1([C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4scc(-c5cccs5)c43)C[C@@H]2CF)CC1 ZINC001164621076 719122958 /nfs/dbraw/zinc/12/29/58/719122958.db2.gz KJLPPNBCKCTLQD-WMZOPIPTSA-N 2 1 471.671 4.919 20 0 JJADMP CC(C)[N@H+](C)Cc1nn(-c2ncnc3cc(-c4ccc(Cl)cc4)sc32)c2c1CC[NH2+]C2 ZINC001164679477 719638179 /nfs/dbraw/zinc/63/81/79/719638179.db2.gz BWAPRESCBIESIF-UHFFFAOYSA-N 2 1 453.015 4.683 20 0 JJADMP CC(C)[N@@H+](C)Cc1nn(-c2ncnc3cc(-c4ccc(Cl)cc4)sc32)c2c1CC[NH2+]C2 ZINC001164679477 719638183 /nfs/dbraw/zinc/63/81/83/719638183.db2.gz BWAPRESCBIESIF-UHFFFAOYSA-N 2 1 453.015 4.683 20 0 JJADMP CC(C)[N@H+](C)Cc1nn(-c2nc(-c3ccsc3)nc3sc4c(c32)CCCC4)c2c1CC[NH2+]C2 ZINC001164680168 719644318 /nfs/dbraw/zinc/64/43/18/719644318.db2.gz QXOSQHUKCAPGCA-UHFFFAOYSA-N 2 1 478.691 4.970 20 0 JJADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(-c3ccsc3)nc3sc4c(c32)CCCC4)c2c1CC[NH2+]C2 ZINC001164680168 719644325 /nfs/dbraw/zinc/64/43/25/719644325.db2.gz QXOSQHUKCAPGCA-UHFFFAOYSA-N 2 1 478.691 4.970 20 0 JJADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cnc(Cl)c(-c3cccc(F)c3)c2)c2c1CC[NH2+]C2 ZINC001164679600 719645149 /nfs/dbraw/zinc/64/51/49/719645149.db2.gz IKILJNWPDBBORY-UHFFFAOYSA-N 2 1 463.935 4.821 20 0 JJADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cnc(Cl)c(-c3cccc(F)c3)c2)c2c1CC[NH2+]C2 ZINC001164679600 719645159 /nfs/dbraw/zinc/64/51/59/719645159.db2.gz IKILJNWPDBBORY-UHFFFAOYSA-N 2 1 463.935 4.821 20 0 JJADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(-c3ccc(Oc4ccccc4)cc3)nn2)c2c1CC[NH2+]C2 ZINC001164679553 719647799 /nfs/dbraw/zinc/64/77/99/719647799.db2.gz GHTOGUKJCAFRNG-UHFFFAOYSA-N 2 1 454.578 4.608 20 0 JJADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(-c3ccc(Oc4ccccc4)cc3)nn2)c2c1CC[NH2+]C2 ZINC001164679553 719647811 /nfs/dbraw/zinc/64/78/11/719647811.db2.gz GHTOGUKJCAFRNG-UHFFFAOYSA-N 2 1 454.578 4.608 20 0 JJADMP Cc1cccc2cc[nH+]c(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c12 ZINC001164683028 719680258 /nfs/dbraw/zinc/68/02/58/719680258.db2.gz QQMZXFVGWMWQOT-HSZRJFAPSA-N 2 1 456.634 4.637 20 0 JJADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)n1 ZINC001164734877 720547765 /nfs/dbraw/zinc/54/77/65/720547765.db2.gz LAKGHGYPIUCMRO-FQEVSTJZSA-N 2 1 479.694 4.936 20 0 JJADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164843251 720604052 /nfs/dbraw/zinc/60/40/52/720604052.db2.gz XAYGBVJBVLGZBO-RJGXRXQPSA-N 2 1 495.741 4.724 20 0 JJADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164843251 720604054 /nfs/dbraw/zinc/60/40/54/720604054.db2.gz XAYGBVJBVLGZBO-RJGXRXQPSA-N 2 1 495.741 4.724 20 0 JJADMP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001164841296 720696040 /nfs/dbraw/zinc/69/60/40/720696040.db2.gz IXWVRSJLEOMGIX-QHCPKHFHSA-N 2 1 455.046 4.591 20 0 JJADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001164841296 720696046 /nfs/dbraw/zinc/69/60/46/720696046.db2.gz IXWVRSJLEOMGIX-QHCPKHFHSA-N 2 1 455.046 4.591 20 0 JJADMP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164748525 720917225 /nfs/dbraw/zinc/91/72/25/720917225.db2.gz GRJPDGUQLOEWSS-JOMNFKBKSA-N 2 1 497.687 4.985 20 0 JJADMP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)[C@@H]2C ZINC001164859687 721002987 /nfs/dbraw/zinc/00/29/87/721002987.db2.gz LJIMCQMRXYZQLI-LJQANCHMSA-N 2 1 493.725 4.784 20 0 JJADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)[C@@H]2C ZINC001164859687 721002989 /nfs/dbraw/zinc/00/29/89/721002989.db2.gz LJIMCQMRXYZQLI-LJQANCHMSA-N 2 1 493.725 4.784 20 0 JJADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(C2)COCC[NH+](Cc2c(C)noc2C)C3)nc1 ZINC001164785324 721374004 /nfs/dbraw/zinc/37/40/04/721374004.db2.gz RBZKOJGFYSIZKZ-XTEPFMGCSA-N 2 1 481.685 4.742 20 0 JJADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164785324 721374010 /nfs/dbraw/zinc/37/40/10/721374010.db2.gz RBZKOJGFYSIZKZ-XTEPFMGCSA-N 2 1 481.685 4.742 20 0 JJADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164785324 721374015 /nfs/dbraw/zinc/37/40/15/721374015.db2.gz RBZKOJGFYSIZKZ-XTEPFMGCSA-N 2 1 481.685 4.742 20 0 JJADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)nc1 ZINC001164913810 721734590 /nfs/dbraw/zinc/73/45/90/721734590.db2.gz XYJGWNNNEDCRHG-UKILVPOCSA-N 2 1 455.597 4.761 20 0 JJADMP CC[NH+]1CCCC[C@H]1c1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164913810 721734595 /nfs/dbraw/zinc/73/45/95/721734595.db2.gz XYJGWNNNEDCRHG-UKILVPOCSA-N 2 1 455.597 4.761 20 0 JJADMP CC[NH+]1CCCC[C@H]1c1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164913810 721734606 /nfs/dbraw/zinc/73/46/06/721734606.db2.gz XYJGWNNNEDCRHG-UKILVPOCSA-N 2 1 455.597 4.761 20 0 JJADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c(n3)CC[NH+](Cc3ccccc3)C4)C[C@H]21 ZINC001165017885 721807599 /nfs/dbraw/zinc/80/75/99/721807599.db2.gz BALLOCZUKUQJGB-WOEHHYBBSA-N 2 1 467.661 4.772 20 0 JJADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@H]21 ZINC001165017885 721807601 /nfs/dbraw/zinc/80/76/01/721807601.db2.gz BALLOCZUKUQJGB-WOEHHYBBSA-N 2 1 467.661 4.772 20 0 JJADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@H]21 ZINC001165017885 721807602 /nfs/dbraw/zinc/80/76/02/721807602.db2.gz BALLOCZUKUQJGB-WOEHHYBBSA-N 2 1 467.661 4.772 20 0 JJADMP c1ccc(C[NH+]2CCc3nc(N4CCC5(CC[N@H+](Cc6cccnc6)C5)CC4)ccc3C2)cc1 ZINC001164951757 722015815 /nfs/dbraw/zinc/01/58/15/722015815.db2.gz DHKCVPCUBLLCBN-UHFFFAOYSA-N 2 1 453.634 4.527 20 0 JJADMP c1ccc(C[N@@H+]2CCc3nc(N4CCC5(CC[NH+](Cc6cccnc6)C5)CC4)ccc3C2)cc1 ZINC001164951757 722015818 /nfs/dbraw/zinc/01/58/18/722015818.db2.gz DHKCVPCUBLLCBN-UHFFFAOYSA-N 2 1 453.634 4.527 20 0 JJADMP c1ccc(C[N@H+]2CCc3nc(N4CCC5(CC[NH+](Cc6cccnc6)C5)CC4)ccc3C2)cc1 ZINC001164951757 722015822 /nfs/dbraw/zinc/01/58/22/722015822.db2.gz DHKCVPCUBLLCBN-UHFFFAOYSA-N 2 1 453.634 4.527 20 0 JJADMP CC(C)C[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](Cc2cccs2)CC1)[NH+](C)C ZINC001359766460 1064392591 /nfs/dbraw/zinc/39/25/91/1064392591.db2.gz NYLXJUBWJAFQKH-QFIPXVFZSA-N 2 1 487.117 4.959 20 0 JJADMP CC(C)C[C@H](Cn1c(C2CCCC2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC001359770018 1064400987 /nfs/dbraw/zinc/40/09/87/1064400987.db2.gz YBKHWQHLWPVODP-WIOPSUGQSA-N 2 1 452.691 4.623 20 0 JJADMP CC(C)Cc1nnc(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001359784291 1064436923 /nfs/dbraw/zinc/43/69/23/1064436923.db2.gz XJVMEYITPIWGSR-VWLOTQADSA-N 2 1 466.718 4.699 20 0 JJADMP CC(C)Cc1nnc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001359802856 1064471586 /nfs/dbraw/zinc/47/15/86/1064471586.db2.gz XAIYVBUSQOEZTL-LOSJGSFVSA-N 2 1 466.718 4.699 20 0 JJADMP CC(C)Cc1nnc(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001359833521 1064519860 /nfs/dbraw/zinc/51/98/60/1064519860.db2.gz YPRVKLDHMUEPCQ-RPBOFIJWSA-N 2 1 458.739 4.689 20 0 JJADMP CC(C)Cc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001359860685 1064550389 /nfs/dbraw/zinc/55/03/89/1064550389.db2.gz KZGQOPPAUTXNMK-QONNDPFASA-N 2 1 466.718 4.698 20 0 JJADMP CC(C)C[N@H+]1CCC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001360010350 1064801796 /nfs/dbraw/zinc/80/17/96/1064801796.db2.gz ONVFSCCVVOBUKD-HSZRJFAPSA-N 2 1 487.136 4.811 20 0 JJADMP CC(C)C[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001360030532 1064832902 /nfs/dbraw/zinc/83/29/02/1064832902.db2.gz LHHICZYCJZBXQD-QFIPXVFZSA-N 2 1 488.671 4.580 20 0 JJADMP CC(C)[N@@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001360098044 1064977459 /nfs/dbraw/zinc/97/74/59/1064977459.db2.gz GYQKZPVDQJWPFB-UHFFFAOYSA-N 2 1 459.082 4.784 20 0 JJADMP CC(C)[N@@H+](C)CCCn1c(Cc2ccsc2)nnc1N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1 ZINC001360101493 1064981600 /nfs/dbraw/zinc/98/16/00/1064981600.db2.gz QQKZGXGZBNFFMQ-HSZRJFAPSA-N 2 1 480.726 4.762 20 0 JJADMP CC(C)[NH+](C)CCCn1c(Cc2ccsc2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001360101493 1064981611 /nfs/dbraw/zinc/98/16/11/1064981611.db2.gz QQKZGXGZBNFFMQ-HSZRJFAPSA-N 2 1 480.726 4.762 20 0 JJADMP CC(C)[NH+](C)CCCn1c(Cc2ccsc2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001360101493 1064981625 /nfs/dbraw/zinc/98/16/25/1064981625.db2.gz QQKZGXGZBNFFMQ-HSZRJFAPSA-N 2 1 480.726 4.762 20 0 JJADMP CC(C)[NH+](CCCn1c(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)nnc1C(C)(C)C)C(C)C ZINC001360126181 1065019652 /nfs/dbraw/zinc/01/96/52/1065019652.db2.gz JZXLJPAVCOAWOE-PLQXJYEYSA-N 2 1 466.718 4.653 20 0 JJADMP CC(C)[NH+](CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)C(C)C ZINC001360126390 1065020415 /nfs/dbraw/zinc/02/04/15/1065020415.db2.gz PSJVVYWBFFZPKL-XMMPIXPASA-N 2 1 473.109 4.706 20 0 JJADMP CC(C)[NH+](CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[N@H+](C2CCCC2)CC1)C(C)C ZINC001360132218 1065027223 /nfs/dbraw/zinc/02/72/23/1065027223.db2.gz GYYWRPBPTCLYTB-UHFFFAOYSA-N 2 1 470.681 4.582 20 0 JJADMP CC(C)[N@H+]1CCC[C@H](Cn2c(N3CCC[C@H](C[NH+]4CCCCCC4)C3)nnc2C(C)(C)C)C1 ZINC001360140336 1065037656 /nfs/dbraw/zinc/03/76/56/1065037656.db2.gz BYVDPHZCBRKVIJ-RPWUZVMVSA-N 2 1 458.739 4.788 20 0 JJADMP C[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)C[NH+]1CCCC1 ZINC001360592514 1065601694 /nfs/dbraw/zinc/60/16/94/1065601694.db2.gz WZJXMJOODKMPDM-FQEVSTJZSA-N 2 1 490.643 4.589 20 0 JJADMP C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)C[NH+]1CCCC1 ZINC001360592831 1065601775 /nfs/dbraw/zinc/60/17/75/1065601775.db2.gz ACUFVVURBNYWHL-TZRRMPRUSA-N 2 1 458.739 4.689 20 0 JJADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001440677713 1065963855 /nfs/dbraw/zinc/96/38/55/1065963855.db2.gz APGLZGZHHKAEDL-JWQCQUIFSA-N 2 1 462.663 4.517 20 0 JJADMP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)cc1 ZINC001441366093 1066035520 /nfs/dbraw/zinc/03/55/20/1066035520.db2.gz RYFYFPQHBNPIER-QHCPKHFHSA-N 2 1 452.643 4.530 20 0 JJADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](c3ccc(C(C)(C)C)cc3)C(F)(F)F)CC2)CC1 ZINC001442234453 1066105770 /nfs/dbraw/zinc/10/57/70/1066105770.db2.gz SEWXPEZOYDYJPQ-JOCHJYFZSA-N 2 1 453.593 4.900 20 0 JJADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC001360996404 1066175184 /nfs/dbraw/zinc/17/51/84/1066175184.db2.gz JEUCDAZUHSUIAY-CZSZKKDXSA-N 2 1 455.668 4.814 20 0 JJADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001360996404 1066175187 /nfs/dbraw/zinc/17/51/87/1066175187.db2.gz JEUCDAZUHSUIAY-CZSZKKDXSA-N 2 1 455.668 4.814 20 0 JJADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001360996404 1066175192 /nfs/dbraw/zinc/17/51/92/1066175192.db2.gz JEUCDAZUHSUIAY-CZSZKKDXSA-N 2 1 455.668 4.814 20 0 JJADMP CCCN(C(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001442865211 1066233831 /nfs/dbraw/zinc/23/38/31/1066233831.db2.gz BNVQRQFTIXBAJR-VPUSJEBWSA-N 2 1 451.630 4.941 20 0 JJADMP CCCN(C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001442865211 1066233846 /nfs/dbraw/zinc/23/38/46/1066233846.db2.gz BNVQRQFTIXBAJR-VPUSJEBWSA-N 2 1 451.630 4.941 20 0 JJADMP CCCN(C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001442865211 1066233869 /nfs/dbraw/zinc/23/38/69/1066233869.db2.gz BNVQRQFTIXBAJR-VPUSJEBWSA-N 2 1 451.630 4.941 20 0 JJADMP CCCN(C(=O)C1CC[NH+](Cc2csc(C)n2)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001442886464 1066237024 /nfs/dbraw/zinc/23/70/24/1066237024.db2.gz YAPUVSCPBKOBDD-RUZDIDTESA-N 2 1 454.684 4.567 20 0 JJADMP CCCN(C(=O)C1CC[NH+](Cc2csc(C)n2)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001442886464 1066237039 /nfs/dbraw/zinc/23/70/39/1066237039.db2.gz YAPUVSCPBKOBDD-RUZDIDTESA-N 2 1 454.684 4.567 20 0 JJADMP Cc1cc(C)cc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC001361034965 1066251813 /nfs/dbraw/zinc/25/18/13/1066251813.db2.gz LEOCNAWSWYGWEC-RUZDIDTESA-N 2 1 482.717 4.515 20 0 JJADMP O=C([C@@H]1CCC[N@@H+](CCc2ccccc2)C1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC001443537675 1066326639 /nfs/dbraw/zinc/32/66/39/1066326639.db2.gz JCGRNJOVVZMZJJ-RUZDIDTESA-N 2 1 454.058 4.719 20 0 JJADMP CC[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[N@H+](C(C)C)CC1)[NH+]1CCCC1 ZINC001545961208 1066351565 /nfs/dbraw/zinc/35/15/65/1066351565.db2.gz QUCSMLQPJCVTEA-QFIPXVFZSA-N 2 1 489.506 4.503 20 0 JJADMP CN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1)c1ccc(OCC[NH+](C)C)cc1 ZINC001443904417 1066383791 /nfs/dbraw/zinc/38/37/91/1066383791.db2.gz GPWUROCLYJERRY-JWQCQUIFSA-N 2 1 463.647 4.567 20 0 JJADMP CC[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C)[NH+]1CCCC1 ZINC001545964220 1066403372 /nfs/dbraw/zinc/40/33/72/1066403372.db2.gz ABOFRHNDMFJTTD-CMKODMSKSA-N 2 1 463.045 4.531 20 0 JJADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)c1 ZINC001455987709 1066467175 /nfs/dbraw/zinc/46/71/75/1066467175.db2.gz UQODKSMOTSIPAO-SANMLTNESA-N 2 1 452.618 4.658 20 0 JJADMP Cc1ccc(-c2nnc(N(C)[C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)n2CC(C)(C)C[NH+](C)C)o1 ZINC001361171012 1066486480 /nfs/dbraw/zinc/48/64/80/1066486480.db2.gz LFLFVDNINUUEMN-QPPBQGQZSA-N 2 1 478.685 4.924 20 0 JJADMP O=C(c1ccc(NC2=[NH+]CCC2)cc1)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001444864653 1066514861 /nfs/dbraw/zinc/51/48/61/1066514861.db2.gz NPFNFMSYEGNLJL-FQEVSTJZSA-N 2 1 458.528 4.817 20 0 JJADMP CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC001545994734 1066795374 /nfs/dbraw/zinc/79/53/74/1066795374.db2.gz FFDLDYZSZWJALE-UKILVPOCSA-N 2 1 466.718 4.842 20 0 JJADMP Cc1[nH+]ccn1CCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001492707147 1066869926 /nfs/dbraw/zinc/86/99/26/1066869926.db2.gz MODPWBCEWSBJBI-UHFFFAOYSA-N 2 1 470.065 4.750 20 0 JJADMP Cc1[nH+]ccn1CCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001492707147 1066869933 /nfs/dbraw/zinc/86/99/33/1066869933.db2.gz MODPWBCEWSBJBI-UHFFFAOYSA-N 2 1 470.065 4.750 20 0 JJADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cccc(C(F)(F)F)c1 ZINC001448059195 1066894632 /nfs/dbraw/zinc/89/46/32/1066894632.db2.gz BZFZQDAEIYVSHB-GOTSBHOMSA-N 2 1 459.556 4.727 20 0 JJADMP 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 1066946973 /nfs/dbraw/zinc/94/69/73/1066946973.db2.gz JZXGPYBVTCRAAM-QRXMYIDTSA-N 2 1 466.718 4.834 20 0 JJADMP Cc1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001492805131 1066954531 /nfs/dbraw/zinc/95/45/31/1066954531.db2.gz ZVQHAHANNDWRAU-NLFFAJNJSA-N 2 1 456.654 4.509 20 0 JJADMP CC[C@H](c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CC(C)(C)C[NH+](C)C)c1ccccc1 ZINC001545751972 1067026190 /nfs/dbraw/zinc/02/61/90/1067026190.db2.gz OGLBHTZEEBIZEQ-VWLOTQADSA-N 2 1 466.718 4.863 20 0 JJADMP CC[C@@H](c1nnc(N2CC[NH+](C(C)C)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545756600 1067033800 /nfs/dbraw/zinc/03/38/00/1067033800.db2.gz KQWPZBJDUNRHMS-RMTZWNOUSA-N 2 1 466.718 4.718 20 0 JJADMP CC[C@@H](c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1CCCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC001545758290 1067036901 /nfs/dbraw/zinc/03/69/01/1067036901.db2.gz DMCONNLBRXEONK-AZGAKELHSA-N 2 1 466.718 4.863 20 0 JJADMP CC[C@@H](c1nnc(N2CC[NH+](CC(C)C)CC2)n1CCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC001545758651 1067038990 /nfs/dbraw/zinc/03/89/90/1067038990.db2.gz KTLSSVVVLGSHHV-AOYPEHQESA-N 2 1 466.718 4.863 20 0 JJADMP CC[C@@H](c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC001545761437 1067045210 /nfs/dbraw/zinc/04/52/10/1067045210.db2.gz RLHAATUZAPCWPI-LOSJGSFVSA-N 2 1 452.691 4.613 20 0 JJADMP CC[C@@H](c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC001545761436 1067045314 /nfs/dbraw/zinc/04/53/14/1067045314.db2.gz RLHAATUZAPCWPI-JWQCQUIFSA-N 2 1 452.691 4.613 20 0 JJADMP CCC(CC)[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)[NH+](C)C ZINC001545804780 1067116030 /nfs/dbraw/zinc/11/60/30/1067116030.db2.gz BHKRYHRQWYMZKL-ZWSUVBHBSA-N 2 1 486.680 4.598 20 0 JJADMP CCC(CC)[C@H](Cn1c(-c2ccccc2)nnc1N1CC[NH+](Cc2ccsc2)CC1)[NH+](C)C ZINC001545808097 1067131707 /nfs/dbraw/zinc/13/17/07/1067131707.db2.gz SHDAUAHCURJQTE-DEOSSOPVSA-N 2 1 466.699 4.695 20 0 JJADMP CCC(CC)[C@H](Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C)[NH+](C)C ZINC001545820291 1067158435 /nfs/dbraw/zinc/15/84/35/1067158435.db2.gz VGKHSBYQUVRKLV-CAOCKLPOSA-N 2 1 482.717 4.513 20 0 JJADMP CCC(CC)[C@H](Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C)[NH+](C)C ZINC001545820292 1067158577 /nfs/dbraw/zinc/15/85/77/1067158577.db2.gz VGKHSBYQUVRKLV-GPXOXTDOSA-N 2 1 482.717 4.513 20 0 JJADMP CC(C)([C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC001458835090 1067163672 /nfs/dbraw/zinc/16/36/72/1067163672.db2.gz JCFPBMIHUMAPQJ-RCZVLFRGSA-N 2 1 455.593 4.909 20 0 JJADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H](CC(C)C)c3ccc(Cl)cc3)CC2)cc1 ZINC001459841249 1067448611 /nfs/dbraw/zinc/44/86/11/1067448611.db2.gz DYMRTXPNSWSTOU-RUZDIDTESA-N 2 1 458.046 4.760 20 0 JJADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H](CC(C)C)c3ccc(Cl)cc3)CC2)cc1 ZINC001459841249 1067448613 /nfs/dbraw/zinc/44/86/13/1067448613.db2.gz DYMRTXPNSWSTOU-RUZDIDTESA-N 2 1 458.046 4.760 20 0 JJADMP C[NH+]1CCC2(CCC[N@H+](CC(=O)Nc3nc(-c4ccc(Cl)cc4Cl)cs3)C2)CC1 ZINC001460019031 1067530103 /nfs/dbraw/zinc/53/01/03/1067530103.db2.gz LDSPQNGVONDGBD-UHFFFAOYSA-N 2 1 453.439 4.863 20 0 JJADMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)Nc3nc(-c4ccc(Cl)cc4Cl)cs3)C2)CC1 ZINC001460019031 1067530110 /nfs/dbraw/zinc/53/01/10/1067530110.db2.gz LDSPQNGVONDGBD-UHFFFAOYSA-N 2 1 453.439 4.863 20 0 JJADMP C[N@@H+](Cc1ccccc1)C[C@H](C[NH2+][C@H](CO)c1ccc(Br)cc1)c1ccccc1 ZINC001460184439 1067573678 /nfs/dbraw/zinc/57/36/78/1067573678.db2.gz XVJXWNVQCBCEPW-UKILVPOCSA-N 2 1 453.424 4.988 20 0 JJADMP C[N@H+](Cc1ccccc1)C[C@H](C[NH2+][C@H](CO)c1ccc(Br)cc1)c1ccccc1 ZINC001460184439 1067573683 /nfs/dbraw/zinc/57/36/83/1067573683.db2.gz XVJXWNVQCBCEPW-UKILVPOCSA-N 2 1 453.424 4.988 20 0 JJADMP Brc1ccc(-c2c[nH]c(C[NH2+]Cc3ccc(OCC[NH+]4CCCC4)cc3)n2)cc1 ZINC001461195051 1067797205 /nfs/dbraw/zinc/79/72/05/1067797205.db2.gz LAAHCTHYHUBADO-UHFFFAOYSA-N 2 1 455.400 4.604 20 0 JJADMP Ic1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC001461382486 1067843259 /nfs/dbraw/zinc/84/32/59/1067843259.db2.gz NKEMKAZPBPNCDM-QXAKKESOSA-N 2 1 452.405 4.743 20 0 JJADMP Ic1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC001461382488 1067843366 /nfs/dbraw/zinc/84/33/66/1067843366.db2.gz NKEMKAZPBPNCDM-YTQUADARSA-N 2 1 452.405 4.743 20 0 JJADMP CC(C)(C)OC(=O)N1C[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)Cc2ccccc21 ZINC001461617478 1067902472 /nfs/dbraw/zinc/90/24/72/1067902472.db2.gz PITWAFDIMOZZGD-DEOSSOPVSA-N 2 1 453.602 4.789 20 0 JJADMP COc1cc(Br)c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1OC ZINC001461664632 1067913501 /nfs/dbraw/zinc/91/35/01/1067913501.db2.gz UGFXKMIMAUMFDW-FQEVSTJZSA-N 2 1 459.428 4.858 20 0 JJADMP COc1cc(Br)c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1OC ZINC001461664632 1067913507 /nfs/dbraw/zinc/91/35/07/1067913507.db2.gz UGFXKMIMAUMFDW-FQEVSTJZSA-N 2 1 459.428 4.858 20 0 JJADMP COC(=O)c1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1Br ZINC001461968520 1067971601 /nfs/dbraw/zinc/97/16/01/1067971601.db2.gz WYSVVIYUZWLCIT-UHFFFAOYSA-N 2 1 457.412 4.724 20 0 JJADMP COC(=O)c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1Br ZINC001461968520 1067971608 /nfs/dbraw/zinc/97/16/08/1067971608.db2.gz WYSVVIYUZWLCIT-UHFFFAOYSA-N 2 1 457.412 4.724 20 0 JJADMP COC(=O)[C@@H](C)Oc1ccc(C[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001462256260 1068038783 /nfs/dbraw/zinc/03/87/83/1068038783.db2.gz AWICBAQRIAXOPJ-RLWLMLJZSA-N 2 1 450.623 4.750 20 0 JJADMP CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCCCCOc2ccccc2)CC1 ZINC001462589202 1068105766 /nfs/dbraw/zinc/10/57/66/1068105766.db2.gz UYGCJNCCOZLAOA-PSWAGMNNSA-N 2 1 457.659 4.784 20 0 JJADMP CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCCCCOc2ccccc2)CC1 ZINC001462589202 1068105769 /nfs/dbraw/zinc/10/57/69/1068105769.db2.gz UYGCJNCCOZLAOA-PSWAGMNNSA-N 2 1 457.659 4.784 20 0 JJADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3c(Br)cc(F)c(F)c3N3CCCCC3)C[C@H]2C1 ZINC001462655417 1068125746 /nfs/dbraw/zinc/12/57/46/1068125746.db2.gz QZZAKZDROCYQFS-BRWVUGGUSA-N 2 1 456.419 4.880 20 0 JJADMP C[NH+](C)CCC[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000010435614 555710032 /nfs/dbraw/zinc/71/00/32/555710032.db2.gz HWZRYYUWBPCDHT-UHFFFAOYSA-N 2 1 456.222 4.832 20 0 JJADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCC5(CC[NH2+]CC5)[C@@H]4C(F)(F)F)c32)C1 ZINC001164389355 718815390 /nfs/dbraw/zinc/81/53/90/718815390.db2.gz VJZKCAVCXCRVKI-WAIKUNEKSA-N 2 1 493.643 4.923 20 0 JJADMP FC(F)(F)[C@@H]1N(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)CCC12CC[NH2+]CC2 ZINC001164388008 718815551 /nfs/dbraw/zinc/81/55/51/718815551.db2.gz LWXMRJNHCYGVOJ-JOCHJYFZSA-N 2 1 479.616 4.677 20 0 JJADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@]4(C[NH2+]C[C@H]4c4ccccc4)C3)c2c1C ZINC001164621960 719047576 /nfs/dbraw/zinc/04/75/76/719047576.db2.gz KJLJXEGSQWBQNR-WXVAWEFUSA-N 2 1 461.679 4.878 20 0 JJADMP c1ccc([C@@H]2C[NH2+]C[C@]23CCN(c2nc(C[NH+]4CCCC4)nc4sc5c(c42)CCCC5)C3)cc1 ZINC001164619273 719047621 /nfs/dbraw/zinc/04/76/21/719047621.db2.gz CHGQXMALNYSWSD-DWACAAAGSA-N 2 1 473.690 4.749 20 0 JJADMP CC(C)[N@H+](C)Cc1nn(-c2nc(-c3ccc(F)cc3)nc3ccc(Cl)cc32)c2c1CC[NH2+]C2 ZINC001164686122 719612760 /nfs/dbraw/zinc/61/27/60/719612760.db2.gz YHNQXRIAPMUFBL-UHFFFAOYSA-N 2 1 464.976 4.761 20 0 JJADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(-c3ccc(F)cc3)nc3ccc(Cl)cc32)c2c1CC[NH2+]C2 ZINC001164686122 719612768 /nfs/dbraw/zinc/61/27/68/719612768.db2.gz YHNQXRIAPMUFBL-UHFFFAOYSA-N 2 1 464.976 4.761 20 0 JJADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2ccc3nc(Cl)cc(Cl)c3c2)c2c1CC[NH2+]C2 ZINC001164683344 719617881 /nfs/dbraw/zinc/61/78/81/719617881.db2.gz SDQIHEVGTKBIEI-UHFFFAOYSA-N 2 1 454.352 4.822 20 0 JJADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2ccc3nc(Cl)cc(Cl)c3c2)c2c1CC[NH2+]C2 ZINC001164683344 719617896 /nfs/dbraw/zinc/61/78/96/719617896.db2.gz SDQIHEVGTKBIEI-UHFFFAOYSA-N 2 1 454.352 4.822 20 0 JJADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2nc3cc(Cl)c(Cl)cc3nc2Cl)c2c1CC[NH2+]C2 ZINC001164681246 719625644 /nfs/dbraw/zinc/62/56/44/719625644.db2.gz FBJKHCFZBQGAFX-UHFFFAOYSA-N 2 1 489.785 4.870 20 0 JJADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2nc3cc(Cl)c(Cl)cc3nc2Cl)c2c1CC[NH2+]C2 ZINC001164681246 719625649 /nfs/dbraw/zinc/62/56/49/719625649.db2.gz FBJKHCFZBQGAFX-UHFFFAOYSA-N 2 1 489.785 4.870 20 0 JJADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cnc(Cl)nc2-c2cn(C)c3ccccc23)c2c1CC[NH2+]C2 ZINC001164684563 719629429 /nfs/dbraw/zinc/62/94/29/719629429.db2.gz VBNAWVYMWTYHJG-UHFFFAOYSA-N 2 1 499.997 4.569 20 0 JJADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cnc(Cl)nc2-c2cn(C)c3ccccc23)c2c1CC[NH2+]C2 ZINC001164684563 719629434 /nfs/dbraw/zinc/62/94/34/719629434.db2.gz VBNAWVYMWTYHJG-UHFFFAOYSA-N 2 1 499.997 4.569 20 0 JJADMP c1cn(C2CCCC2)c2nc[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164757444 720893278 /nfs/dbraw/zinc/89/32/78/720893278.db2.gz USUYSICRRVVRTL-GIGWZHCTSA-N 2 1 486.664 4.697 20 0 JJADMP c1cn(C2CCCC2)c2nc[nH+]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164757444 720893279 /nfs/dbraw/zinc/89/32/79/720893279.db2.gz USUYSICRRVVRTL-GIGWZHCTSA-N 2 1 486.664 4.697 20 0 JJADMP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164748523 720916395 /nfs/dbraw/zinc/91/63/95/720916395.db2.gz GRJPDGUQLOEWSS-DLFZDVPBSA-N 2 1 497.687 4.985 20 0 JJADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164859681 721003754 /nfs/dbraw/zinc/00/37/54/721003754.db2.gz LFEXYEDUDFNPNM-SFHVURJKSA-N 2 1 469.703 4.768 20 0 JJADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164859681 721003763 /nfs/dbraw/zinc/00/37/63/721003763.db2.gz LFEXYEDUDFNPNM-SFHVURJKSA-N 2 1 469.703 4.768 20 0 JJADMP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3[nH+]ccc4c3ccn4Cc3ccccc3)C2)C1 ZINC001164780118 721354246 /nfs/dbraw/zinc/35/42/46/721354246.db2.gz ZUZTUMBAURDUPF-LJAQVGFWSA-N 2 1 485.632 4.808 20 0 JJADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc3c(n1)CC[NH+](Cc1ccccc1)C3)CC2 ZINC001164792636 721493506 /nfs/dbraw/zinc/49/35/06/721493506.db2.gz STLZYYXENAJEDD-UHFFFAOYSA-N 2 1 467.661 4.916 20 0 JJADMP C[NH+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164792636 721493507 /nfs/dbraw/zinc/49/35/07/721493507.db2.gz STLZYYXENAJEDD-UHFFFAOYSA-N 2 1 467.661 4.916 20 0 JJADMP C[NH+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164792636 721493509 /nfs/dbraw/zinc/49/35/09/721493509.db2.gz STLZYYXENAJEDD-UHFFFAOYSA-N 2 1 467.661 4.916 20 0 JJADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c(n3)CC[NH+](Cc3ccccc3)C4)C[C@H]21 ZINC001165017879 721807746 /nfs/dbraw/zinc/80/77/46/721807746.db2.gz BALLOCZUKUQJGB-WIDNXDAUSA-N 2 1 467.661 4.772 20 0 JJADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@H]21 ZINC001165017879 721807748 /nfs/dbraw/zinc/80/77/48/721807748.db2.gz BALLOCZUKUQJGB-WIDNXDAUSA-N 2 1 467.661 4.772 20 0 JJADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@H]21 ZINC001165017879 721807750 /nfs/dbraw/zinc/80/77/50/721807750.db2.gz BALLOCZUKUQJGB-WIDNXDAUSA-N 2 1 467.661 4.772 20 0 JJADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3[nH+]cnc4c3ccn4Cc3cccc(F)c3)C[C@@H]21 ZINC001165022576 721814337 /nfs/dbraw/zinc/81/43/37/721814337.db2.gz FZCFNUBTIOAEFG-OUIFVKKZSA-N 2 1 470.596 4.751 20 0 JJADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3[nH+]cnc4c3ccn4Cc3cccc(F)c3)C[C@@H]21 ZINC001165022576 721814339 /nfs/dbraw/zinc/81/43/39/721814339.db2.gz FZCFNUBTIOAEFG-OUIFVKKZSA-N 2 1 470.596 4.751 20 0 JJADMP CC(C)Cc1nnc(N2CC[C@H](C)[NH+](Cc3ccccc3)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001359802804 1064471697 /nfs/dbraw/zinc/47/16/97/1064471697.db2.gz WGIYDUGOFIGUDO-ZCYQVOJMSA-N 2 1 466.718 4.698 20 0 JJADMP CC(C)Cc1nnc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)n1C[C@@H]1[NH+](C)CCCC1(C)C ZINC001359802804 1064471707 /nfs/dbraw/zinc/47/17/07/1064471707.db2.gz WGIYDUGOFIGUDO-ZCYQVOJMSA-N 2 1 466.718 4.698 20 0 JJADMP CC(C)Cc1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1C[C@@H]1[NH+](C)CCCC1(C)C ZINC001359802804 1064471729 /nfs/dbraw/zinc/47/17/29/1064471729.db2.gz WGIYDUGOFIGUDO-ZCYQVOJMSA-N 2 1 466.718 4.698 20 0 JJADMP CC(C)Cc1nnc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001359802855 1064471789 /nfs/dbraw/zinc/47/17/89/1064471789.db2.gz XAIYVBUSQOEZTL-JWQCQUIFSA-N 2 1 466.718 4.699 20 0 JJADMP CC(C)Cc1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001359841677 1064529110 /nfs/dbraw/zinc/52/91/10/1064529110.db2.gz YABDUCWVCSPXII-FIPFOOKPSA-N 2 1 484.708 4.839 20 0 JJADMP CC(C)Cc1nnc(N2CC[NH+](C3CCC3)C[C@@H](C)C2)n1CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001359855285 1064542771 /nfs/dbraw/zinc/54/27/71/1064542771.db2.gz IGGFMNXJQPTWFD-RPWUZVMVSA-N 2 1 466.718 4.698 20 0 JJADMP CC(C)Cc1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CC[C@H](C)[NH+](C)Cc1ccccc1 ZINC001359855285 1064542788 /nfs/dbraw/zinc/54/27/88/1064542788.db2.gz IGGFMNXJQPTWFD-RPWUZVMVSA-N 2 1 466.718 4.698 20 0 JJADMP CC(C)Cc1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CC[C@H](C)[NH+](C)Cc1ccccc1 ZINC001359855285 1064542803 /nfs/dbraw/zinc/54/28/03/1064542803.db2.gz IGGFMNXJQPTWFD-RPWUZVMVSA-N 2 1 466.718 4.698 20 0 JJADMP CC(C)Cc1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359855492 1064543333 /nfs/dbraw/zinc/54/33/33/1064543333.db2.gz OTACECJBKFRMBN-WHMVAZNWSA-N 2 1 472.766 4.935 20 0 JJADMP C[C@@H](CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1)[NH+](C)Cc1ccccc1 ZINC001435426182 1064750901 /nfs/dbraw/zinc/75/09/01/1064750901.db2.gz YVMVITCPLUFUNS-HDYLNDSGSA-N 2 1 461.675 4.991 20 0 JJADMP C[C@@H](CCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1cccs1)[N@H+](C)Cc1ccccc1 ZINC001435426182 1064750916 /nfs/dbraw/zinc/75/09/16/1064750916.db2.gz YVMVITCPLUFUNS-HDYLNDSGSA-N 2 1 461.675 4.991 20 0 JJADMP C[C@@H](CCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1cccs1)[N@@H+](C)Cc1ccccc1 ZINC001435426182 1064750934 /nfs/dbraw/zinc/75/09/34/1064750934.db2.gz YVMVITCPLUFUNS-HDYLNDSGSA-N 2 1 461.675 4.991 20 0 JJADMP CC(C)[N@@H+](C)Cc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001360092666 1064963016 /nfs/dbraw/zinc/96/30/16/1064963016.db2.gz NYWKADIDRPSZDW-RUZDIDTESA-N 2 1 466.718 4.820 20 0 JJADMP CC(C)[N@@H+](C)CCCn1c(-c2cccnc2)nnc1N1CCC(CC[NH+]2CCCC[C@H]2C)CC1 ZINC001360097851 1064976116 /nfs/dbraw/zinc/97/61/16/1064976116.db2.gz FBCZEZMSJVPRFH-HSZRJFAPSA-N 2 1 467.706 4.551 20 0 JJADMP CC(C)[NH+](C)CCCn1c(-c2cccnc2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001360097851 1064976136 /nfs/dbraw/zinc/97/61/36/1064976136.db2.gz FBCZEZMSJVPRFH-HSZRJFAPSA-N 2 1 467.706 4.551 20 0 JJADMP CC(C)[NH+](C)CCCn1c(-c2cccnc2)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001360097851 1064976150 /nfs/dbraw/zinc/97/61/50/1064976150.db2.gz FBCZEZMSJVPRFH-HSZRJFAPSA-N 2 1 467.706 4.551 20 0 JJADMP CC(C)[NH+](CCn1c(CC2CCCC2)nnc1N1CC[NH+](Cc2cccs2)CC1)C(C)C ZINC001360134198 1065030172 /nfs/dbraw/zinc/03/01/72/1065030172.db2.gz HHFMOMDPLBNGFJ-UHFFFAOYSA-N 2 1 458.720 4.513 20 0 JJADMP CC(C)[NH+](CCn1c(Cc2ccsc2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC001360135288 1065031476 /nfs/dbraw/zinc/03/14/76/1065031476.db2.gz URXIYKCBAXFBOV-HSZRJFAPSA-N 2 1 480.726 4.760 20 0 JJADMP CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[NH+]2CCC[C@@H]2C)CC1 ZINC001360144114 1065045144 /nfs/dbraw/zinc/04/51/44/1065045144.db2.gz VCUFRXZMWURASD-QFIPXVFZSA-N 2 1 452.691 4.647 20 0 JJADMP CC(C)[NH+]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001360144114 1065045159 /nfs/dbraw/zinc/04/51/59/1065045159.db2.gz VCUFRXZMWURASD-QFIPXVFZSA-N 2 1 452.691 4.647 20 0 JJADMP CC(C)[NH+]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001360144114 1065045171 /nfs/dbraw/zinc/04/51/71/1065045171.db2.gz VCUFRXZMWURASD-QFIPXVFZSA-N 2 1 452.691 4.647 20 0 JJADMP CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Br)s3)n2CC[NH+]2CCCCCC2)CC1 ZINC001360144078 1065045547 /nfs/dbraw/zinc/04/55/47/1065045547.db2.gz UIABFLOLQLDIGG-UHFFFAOYSA-N 2 1 495.535 4.566 20 0 JJADMP CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001360146952 1065049615 /nfs/dbraw/zinc/04/96/15/1065049615.db2.gz BIYCHWZPYODZKC-UHFFFAOYSA-N 2 1 482.717 4.559 20 0 JJADMP CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001360305613 1065140735 /nfs/dbraw/zinc/14/07/35/1065140735.db2.gz XTUFRGXFTPNFKO-HXUWFJFHSA-N 2 1 474.097 4.615 20 0 JJADMP CC(C)[NH2+]C1CCN(c2nnc(-c3ccccc3Cl)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001360307253 1065142596 /nfs/dbraw/zinc/14/25/96/1065142596.db2.gz SGEMWSJAOYLFQP-FQEVSTJZSA-N 2 1 459.082 4.830 20 0 JJADMP CCC[N@H+](C)[C@H](CNC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(Cl)cc1 ZINC001436197600 1065245329 /nfs/dbraw/zinc/24/53/29/1065245329.db2.gz KKLAFHWXFYJMFM-UMEGOILYSA-N 2 1 458.046 4.762 20 0 JJADMP CCC[N@@H+](C)[C@H](CNC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(Cl)cc1 ZINC001436197600 1065245339 /nfs/dbraw/zinc/24/53/39/1065245339.db2.gz KKLAFHWXFYJMFM-UMEGOILYSA-N 2 1 458.046 4.762 20 0 JJADMP C[C@@H](CCn1c(N2CC[NH+](Cc3ccsc3)CC2)nnc1C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001360513528 1065460992 /nfs/dbraw/zinc/46/09/92/1065460992.db2.gz BNVIWANGYUMWCW-QFIPXVFZSA-N 2 1 480.726 4.870 20 0 JJADMP C[C@@H](CCn1c(N2CC[NH+](Cc3ccsc3)CC2)nnc1C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001360513528 1065461002 /nfs/dbraw/zinc/46/10/02/1065461002.db2.gz BNVIWANGYUMWCW-QFIPXVFZSA-N 2 1 480.726 4.870 20 0 JJADMP C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)[NH+](C)C1CC1 ZINC001360534185 1065515638 /nfs/dbraw/zinc/51/56/38/1065515638.db2.gz DGPATLFIIQNRID-SFHVURJKSA-N 2 1 489.506 4.501 20 0 JJADMP C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC[NH+](C(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001360534185 1065515644 /nfs/dbraw/zinc/51/56/44/1065515644.db2.gz DGPATLFIIQNRID-SFHVURJKSA-N 2 1 489.506 4.501 20 0 JJADMP C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC[NH+](C(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001360534185 1065515648 /nfs/dbraw/zinc/51/56/48/1065515648.db2.gz DGPATLFIIQNRID-SFHVURJKSA-N 2 1 489.506 4.501 20 0 JJADMP CCC[N@@H+](Cc1ccccc1)Cc1ccc(NC(=O)[C@@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)cc1 ZINC001437229841 1065523519 /nfs/dbraw/zinc/52/35/19/1065523519.db2.gz ZZLQAKGABXLFMK-KAYWLYCHSA-N 2 1 459.638 4.506 20 0 JJADMP CCC[NH+](Cc1ccccc1)Cc1ccc(NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)cc1 ZINC001437229841 1065523529 /nfs/dbraw/zinc/52/35/29/1065523529.db2.gz ZZLQAKGABXLFMK-KAYWLYCHSA-N 2 1 459.638 4.506 20 0 JJADMP CCC[NH+](Cc1ccccc1)Cc1ccc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)cc1 ZINC001437229841 1065523539 /nfs/dbraw/zinc/52/35/39/1065523539.db2.gz ZZLQAKGABXLFMK-KAYWLYCHSA-N 2 1 459.638 4.506 20 0 JJADMP C[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001360586935 1065587916 /nfs/dbraw/zinc/58/79/16/1065587916.db2.gz IZVRYUHQVOQEHJ-SFHVURJKSA-N 2 1 477.122 4.627 20 0 JJADMP C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)C[NH+]1CCCC1 ZINC001360592832 1065601681 /nfs/dbraw/zinc/60/16/81/1065601681.db2.gz ACUFVVURBNYWHL-WXFUMESZSA-N 2 1 458.739 4.689 20 0 JJADMP CC(C)[N@H+]1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001360596484 1065609180 /nfs/dbraw/zinc/60/91/80/1065609180.db2.gz BHDWKERUJYYPFY-NRFANRHFSA-N 2 1 459.082 4.641 20 0 JJADMP CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccccc3F)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001360596814 1065611170 /nfs/dbraw/zinc/61/11/70/1065611170.db2.gz HROSRXAYOUWPOF-JOCHJYFZSA-N 2 1 470.681 4.763 20 0 JJADMP C[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)C[NH+]1CCCCC1 ZINC001360602138 1065626413 /nfs/dbraw/zinc/62/64/13/1065626413.db2.gz MSQNEJFKROUWKK-RUZDIDTESA-N 2 1 480.745 4.886 20 0 JJADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)Cc1ccccc1 ZINC001440676764 1065963294 /nfs/dbraw/zinc/96/32/94/1065963294.db2.gz PKDPJQUJXUYVGP-HZFUHODCSA-N 2 1 476.064 4.845 20 0 JJADMP CC[C@@H](Cn1c(C(C)C)nnc1N1CCC[N@H+](C(C)(C)C)CC1)[NH+]1CCc2ccccc2C1 ZINC001545950022 1066140239 /nfs/dbraw/zinc/14/02/39/1066140239.db2.gz JUOZVRJQQGGQFA-DEOSSOPVSA-N 2 1 452.691 4.549 20 0 JJADMP CC[C@@H](Cn1c(C(C)C)nnc1N1CCC[NH+](C(C)(C)C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC001545950022 1066140246 /nfs/dbraw/zinc/14/02/46/1066140246.db2.gz JUOZVRJQQGGQFA-DEOSSOPVSA-N 2 1 452.691 4.549 20 0 JJADMP CC[C@@H](Cn1c(C(C)C)nnc1N1CCC[NH+](C(C)(C)C)CC1)[N@H+]1CCc2ccccc2C1 ZINC001545950022 1066140248 /nfs/dbraw/zinc/14/02/48/1066140248.db2.gz JUOZVRJQQGGQFA-DEOSSOPVSA-N 2 1 452.691 4.549 20 0 JJADMP CCCN(C(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001442865199 1066233048 /nfs/dbraw/zinc/23/30/48/1066233048.db2.gz BNVQRQFTIXBAJR-AHKZPQOWSA-N 2 1 451.630 4.941 20 0 JJADMP CCCN(C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001442865199 1066233062 /nfs/dbraw/zinc/23/30/62/1066233062.db2.gz BNVQRQFTIXBAJR-AHKZPQOWSA-N 2 1 451.630 4.941 20 0 JJADMP CCCN(C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001442865199 1066233074 /nfs/dbraw/zinc/23/30/74/1066233074.db2.gz BNVQRQFTIXBAJR-AHKZPQOWSA-N 2 1 451.630 4.941 20 0 JJADMP Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)[C@H](F)C[NH+](Cc3ccccc3)Cc3ccccc3)C2)c1 ZINC001454308026 1066267750 /nfs/dbraw/zinc/26/77/50/1066267750.db2.gz DKQZMYNPYDXOJO-WUFINQPMSA-N 2 1 459.609 4.726 20 0 JJADMP Cc1cccc(C[N@H+]2CC[C@H](NC(=O)[C@H](F)C[NH+](Cc3ccccc3)Cc3ccccc3)C2)c1 ZINC001454308026 1066267775 /nfs/dbraw/zinc/26/77/75/1066267775.db2.gz DKQZMYNPYDXOJO-WUFINQPMSA-N 2 1 459.609 4.726 20 0 JJADMP Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H](F)C[NH+](Cc3ccccc3)Cc3ccccc3)C2)c1 ZINC001454308004 1066268025 /nfs/dbraw/zinc/26/80/25/1066268025.db2.gz DKQZMYNPYDXOJO-IZLXSDGUSA-N 2 1 459.609 4.726 20 0 JJADMP Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H](F)C[NH+](Cc3ccccc3)Cc3ccccc3)C2)c1 ZINC001454308004 1066268032 /nfs/dbraw/zinc/26/80/32/1066268032.db2.gz DKQZMYNPYDXOJO-IZLXSDGUSA-N 2 1 459.609 4.726 20 0 JJADMP 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 1066381248 /nfs/dbraw/zinc/38/12/48/1066381248.db2.gz IAXJBYWWJOJGJG-DSITVLBTSA-N 2 1 496.744 4.938 20 0 JJADMP Cc1ccc(C)c(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H](C)[NH+]2CCC[C@@H](C)C2)c1 ZINC001361158644 1066461146 /nfs/dbraw/zinc/46/11/46/1066461146.db2.gz DVGVWBBMNJDXDW-ILBGXUMGSA-N 2 1 482.717 4.515 20 0 JJADMP Cc1ccc(C)c(OCc2nnc(N3CCC[NH+](C(C)C)CC3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001361158644 1066461152 /nfs/dbraw/zinc/46/11/52/1066461152.db2.gz DVGVWBBMNJDXDW-ILBGXUMGSA-N 2 1 482.717 4.515 20 0 JJADMP Cc1ccc(C)c(OCc2nnc(N3CCC[NH+](C(C)C)CC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001361158644 1066461168 /nfs/dbraw/zinc/46/11/68/1066461168.db2.gz DVGVWBBMNJDXDW-ILBGXUMGSA-N 2 1 482.717 4.515 20 0 JJADMP Cc1ccc(-c2nnc(N3CCC(CC[N@@H+]4CCCC[C@H]4C)CC3)n2CC(C)(C)C[NH+](C)C)o1 ZINC001361204518 1066535620 /nfs/dbraw/zinc/53/56/20/1066535620.db2.gz YYBBIYIHBUNLTF-OAQYLSRUSA-N 2 1 470.706 4.915 20 0 JJADMP C[C@@H]1C[C@H](NC(=O)[C@@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001457241316 1066796919 /nfs/dbraw/zinc/79/69/19/1066796919.db2.gz UQSKOFDCIZPBIX-QFZRFWILSA-N 2 1 459.556 4.610 20 0 JJADMP C[C@@H]1C[C@H](NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001457241316 1066796929 /nfs/dbraw/zinc/79/69/29/1066796929.db2.gz UQSKOFDCIZPBIX-QFZRFWILSA-N 2 1 459.556 4.610 20 0 JJADMP C[C@@H]1C[C@H](NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001457241316 1066796937 /nfs/dbraw/zinc/79/69/37/1066796937.db2.gz UQSKOFDCIZPBIX-QFZRFWILSA-N 2 1 459.556 4.610 20 0 JJADMP CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](C[NH+](CC)CC)C1)[N@H+]1CCc2ccccc2C1 ZINC001545994817 1066797113 /nfs/dbraw/zinc/79/71/13/1066797113.db2.gz GUBPNMRSDCZJTC-JYFHCDHNSA-N 2 1 480.745 4.872 20 0 JJADMP CC[C@@H](Cn1c(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001546014394 1067010090 /nfs/dbraw/zinc/01/00/90/1067010090.db2.gz HXMZYSLMPLFVEU-VWNXMTODSA-N 2 1 458.739 4.931 20 0 JJADMP CC[C@@H](Cn1c(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001546014393 1067010128 /nfs/dbraw/zinc/01/01/28/1067010128.db2.gz HXMZYSLMPLFVEU-UPVQGACJSA-N 2 1 458.739 4.931 20 0 JJADMP CCC(CC)[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[N@H+]2CCCC[C@H]2C1)[NH+](C)C ZINC001545804777 1067116333 /nfs/dbraw/zinc/11/63/33/1067116333.db2.gz BHKRYHRQWYMZKL-OPHFCASCSA-N 2 1 486.680 4.598 20 0 JJADMP CCC(CC)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)[NH+](C)C ZINC001545805775 1067121725 /nfs/dbraw/zinc/12/17/25/1067121725.db2.gz RWSXWSPKZCDTNC-PKTZIBPZSA-N 2 1 459.082 4.639 20 0 JJADMP C[C@@H]1[C@@H](NC(=O)[C@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001450801332 1067122571 /nfs/dbraw/zinc/12/25/71/1067122571.db2.gz SDIBCVDOYWYHJD-QPVYNBJUSA-N 2 1 459.609 4.806 20 0 JJADMP C[C@@H]1[C@@H](NC(=O)[C@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001450801332 1067122579 /nfs/dbraw/zinc/12/25/79/1067122579.db2.gz SDIBCVDOYWYHJD-QPVYNBJUSA-N 2 1 459.609 4.806 20 0 JJADMP CCC(CC)[C@@H](Cn1c(C2CCCC2)nnc1N1CC[NH+](Cc2cccs2)CC1)[NH+](C)C ZINC001545815340 1067144822 /nfs/dbraw/zinc/14/48/22/1067144822.db2.gz PLEBCSMMLVBIRA-HSZRJFAPSA-N 2 1 458.720 4.686 20 0 JJADMP CCC(CC)[C@H](Cn1c(Cc2ccccc2F)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1)[NH+](C)C ZINC001545817546 1067149919 /nfs/dbraw/zinc/14/99/19/1067149919.db2.gz LLPAVWNQAXHVSS-LVXARBLLSA-N 2 1 484.708 4.685 20 0 JJADMP CCC(CC)[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1)[NH+](C)C ZINC001545817547 1067149975 /nfs/dbraw/zinc/14/99/75/1067149975.db2.gz LLPAVWNQAXHVSS-QFQXNSOFSA-N 2 1 484.708 4.685 20 0 JJADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001453391519 1067303156 /nfs/dbraw/zinc/30/31/56/1067303156.db2.gz SWBRSYLXEDZELY-OUIFVKKZSA-N 2 1 454.058 4.792 20 0 JJADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)NCC2(c3ccc(F)cc3)CCCC2)CC1 ZINC001459429243 1067324064 /nfs/dbraw/zinc/32/40/64/1067324064.db2.gz SIDZZTYVQNMVTN-UHFFFAOYSA-N 2 1 451.630 4.598 20 0 JJADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CCN(C(=O)OCc4ccccc4)CC3)C2)s1 ZINC001460065930 1067544187 /nfs/dbraw/zinc/54/41/87/1067544187.db2.gz AKDXVZXMHVEPJI-XMMPIXPASA-N 2 1 455.668 4.859 20 0 JJADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CCN(C(=O)OCc4ccccc4)CC3)C2)s1 ZINC001460065930 1067544198 /nfs/dbraw/zinc/54/41/98/1067544198.db2.gz AKDXVZXMHVEPJI-XMMPIXPASA-N 2 1 455.668 4.859 20 0 JJADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CCN(C(=O)OCc4ccccc4)CC3)C2)s1 ZINC001460065930 1067544206 /nfs/dbraw/zinc/54/42/06/1067544206.db2.gz AKDXVZXMHVEPJI-XMMPIXPASA-N 2 1 455.668 4.859 20 0 JJADMP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001460172251 1067569646 /nfs/dbraw/zinc/56/96/46/1067569646.db2.gz PMTDIVCHCFWFQQ-IBGZPJMESA-N 2 1 456.428 4.764 20 0 JJADMP COc1ccc(NC(=O)C[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC001460549979 1067654698 /nfs/dbraw/zinc/65/46/98/1067654698.db2.gz YIMHKZLECWPKEW-RUZDIDTESA-N 2 1 456.030 4.910 20 0 JJADMP COc1ccc(NC(=O)C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC001460549979 1067654702 /nfs/dbraw/zinc/65/47/02/1067654702.db2.gz YIMHKZLECWPKEW-RUZDIDTESA-N 2 1 456.030 4.910 20 0 JJADMP COc1cc(Br)c(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1OC ZINC001461381219 1067842865 /nfs/dbraw/zinc/84/28/65/1067842865.db2.gz LBDPUDUTRWHMII-KAGYGMCKSA-N 2 1 459.428 4.857 20 0 JJADMP COc1cc(Br)c(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1OC ZINC001461381219 1067842869 /nfs/dbraw/zinc/84/28/69/1067842869.db2.gz LBDPUDUTRWHMII-KAGYGMCKSA-N 2 1 459.428 4.857 20 0 JJADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC001461587893 1067895064 /nfs/dbraw/zinc/89/50/64/1067895064.db2.gz WUUPQCZLCNGWGI-JWQCQUIFSA-N 2 1 465.638 4.611 20 0 JJADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC001461587893 1067895075 /nfs/dbraw/zinc/89/50/75/1067895075.db2.gz WUUPQCZLCNGWGI-JWQCQUIFSA-N 2 1 465.638 4.611 20 0 JJADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001461986574 1067975564 /nfs/dbraw/zinc/97/55/64/1067975564.db2.gz DFQPIXMWPRIMDF-VOFXCDAESA-N 2 1 456.030 4.956 20 0 JJADMP O=C(C[NH2+]Cc1ccccc1Oc1cc(Cl)cc(Cl)c1)NCC[NH+]1CCCCCC1 ZINC001462297795 1068046379 /nfs/dbraw/zinc/04/63/79/1068046379.db2.gz STUGYRAIJXULCA-UHFFFAOYSA-N 2 1 450.410 4.868 20 0 JJADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2C[NH+](Cc3ccccc3)CCC2(F)F)cc1 ZINC001464166006 1068640205 /nfs/dbraw/zinc/64/02/05/1068640205.db2.gz AEECZXYHZVANAV-PXDATVDWSA-N 2 1 455.593 4.835 20 0 JJADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC001464166006 1068640214 /nfs/dbraw/zinc/64/02/14/1068640214.db2.gz AEECZXYHZVANAV-PXDATVDWSA-N 2 1 455.593 4.835 20 0 JJADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC001464166006 1068640225 /nfs/dbraw/zinc/64/02/25/1068640225.db2.gz AEECZXYHZVANAV-PXDATVDWSA-N 2 1 455.593 4.835 20 0 JJADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC001464359584 1068719040 /nfs/dbraw/zinc/71/90/40/1068719040.db2.gz WQRZORFFMRZGMG-OUIFVKKZSA-N 2 1 454.058 4.794 20 0 JJADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)c2c1C ZINC001164621955 719047640 /nfs/dbraw/zinc/04/76/40/719047640.db2.gz KJLJXEGSQWBQNR-AMGIVPHBSA-N 2 1 461.679 4.878 20 0 JJADMP [NH3+]C1([C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@H]2CF)CC1 ZINC001164625392 719122873 /nfs/dbraw/zinc/12/28/73/719122873.db2.gz XFFFYGQORORSNQ-TZIWHRDSSA-N 2 1 465.642 4.857 20 0 JJADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(Cc2cccnc2)c2ccc3nc(C4CC[NH2+]CC4)nn3c2)nc1 ZINC001164631575 719138803 /nfs/dbraw/zinc/13/88/03/719138803.db2.gz NVTLBDACMZDRIG-AREMUKBSSA-N 2 1 496.663 4.872 20 0 JJADMP CC(C)[N@H+](C)Cc1nn(-c2nc(-c3ccccc3F)nc3ccc(Cl)cc32)c2c1CC[NH2+]C2 ZINC001164685198 719612406 /nfs/dbraw/zinc/61/24/06/719612406.db2.gz SOIBZMZCUSWXGF-UHFFFAOYSA-N 2 1 464.976 4.761 20 0 JJADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(-c3ccccc3F)nc3ccc(Cl)cc32)c2c1CC[NH2+]C2 ZINC001164685198 719612411 /nfs/dbraw/zinc/61/24/11/719612411.db2.gz SOIBZMZCUSWXGF-UHFFFAOYSA-N 2 1 464.976 4.761 20 0 JJADMP COc1ccc(-c2nc3ccc(Cl)cc3c(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)n2)cc1 ZINC001164681119 719627592 /nfs/dbraw/zinc/62/75/92/719627592.db2.gz AYWHZMWOABGXGY-UHFFFAOYSA-N 2 1 477.012 4.630 20 0 JJADMP COc1ccc(-c2nc3ccc(Cl)cc3c(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)n2)cc1 ZINC001164681119 719627596 /nfs/dbraw/zinc/62/75/96/719627596.db2.gz AYWHZMWOABGXGY-UHFFFAOYSA-N 2 1 477.012 4.630 20 0 JJADMP COCc1nn(-c2nc(C[NH+]3CCC(C)CC3)nc3scc(-c4cccs4)c32)c2c1C[NH2+]C2 ZINC001164713774 720078964 /nfs/dbraw/zinc/07/89/64/720078964.db2.gz UDDXQNFSAUFHMN-UHFFFAOYSA-N 2 1 480.663 4.587 20 0 JJADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3c(n1)CC[NH+](Cc1ccccc1)C3)CC2 ZINC001164719497 720109199 /nfs/dbraw/zinc/10/91/99/720109199.db2.gz XNIGZZRYXSOAAF-NDEPHWFRSA-N 2 1 497.687 4.542 20 0 JJADMP COC[C@@H]1CC2(C[NH+]1Cc1ccccn1)CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164719497 720109204 /nfs/dbraw/zinc/10/92/04/720109204.db2.gz XNIGZZRYXSOAAF-NDEPHWFRSA-N 2 1 497.687 4.542 20 0 JJADMP COC[C@@H]1CC2(C[NH+]1Cc1ccccn1)CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164719497 720109209 /nfs/dbraw/zinc/10/92/09/720109209.db2.gz XNIGZZRYXSOAAF-NDEPHWFRSA-N 2 1 497.687 4.542 20 0 JJADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H](COC)[NH+](Cc4ccccn4)C3)CC2)nc1 ZINC001164712221 720152686 /nfs/dbraw/zinc/15/26/86/720152686.db2.gz LCEVUNPYCDSBPC-RRPNLBNLSA-N 2 1 477.697 4.921 20 0 JJADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164712221 720152691 /nfs/dbraw/zinc/15/26/91/720152691.db2.gz LCEVUNPYCDSBPC-RRPNLBNLSA-N 2 1 477.697 4.921 20 0 JJADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164712221 720152696 /nfs/dbraw/zinc/15/26/96/720152696.db2.gz LCEVUNPYCDSBPC-RRPNLBNLSA-N 2 1 477.697 4.921 20 0 JJADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[NH+]3C(C)C)C2)nc1 ZINC001164840808 720635568 /nfs/dbraw/zinc/63/55/68/720635568.db2.gz QXMFKICSMIFJTH-BKKFENPESA-N 2 1 450.675 4.593 20 0 JJADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1 ZINC001164840808 720635574 /nfs/dbraw/zinc/63/55/74/720635574.db2.gz QXMFKICSMIFJTH-BKKFENPESA-N 2 1 450.675 4.593 20 0 JJADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1 ZINC001164840808 720635578 /nfs/dbraw/zinc/63/55/78/720635578.db2.gz QXMFKICSMIFJTH-BKKFENPESA-N 2 1 450.675 4.593 20 0 JJADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCCn4cnc(C[NH2+]C5CCC5)c4C3)c2c1C ZINC001164836767 720739535 /nfs/dbraw/zinc/73/95/35/720739535.db2.gz GBZPNIVGRWDBGS-UHFFFAOYSA-N 2 1 479.698 4.543 20 0 JJADMP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164748521 720916773 /nfs/dbraw/zinc/91/67/73/720916773.db2.gz GRJPDGUQLOEWSS-DHIFEGFHSA-N 2 1 497.687 4.985 20 0 JJADMP Cc1cccc(N(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164777410 721329309 /nfs/dbraw/zinc/32/93/09/721329309.db2.gz MZTLFIAWPOVMNI-GGXMVOPNSA-N 2 1 454.618 4.607 20 0 JJADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]c(N3CCCC3)cc3ccccc31)CC2 ZINC001164787186 721468013 /nfs/dbraw/zinc/46/80/13/721468013.db2.gz DELFQMWCLJNOEL-RUZDIDTESA-N 2 1 478.681 4.569 20 0 JJADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]c(N3CCCC3)cc3ccccc31)CC2 ZINC001164787188 721468195 /nfs/dbraw/zinc/46/81/95/721468195.db2.gz DELFQMWCLJNOEL-VWLOTQADSA-N 2 1 478.681 4.569 20 0 JJADMP Fc1ccc(Cn2ccc3c2nc[nH+]c3N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc1 ZINC001164904974 721710179 /nfs/dbraw/zinc/71/01/79/721710179.db2.gz GDKLWQIDHACTJG-AREMUKBSSA-N 2 1 492.549 4.751 20 0 JJADMP Fc1ccc(Cn2ccc3c2nc[nH+]c3N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc1 ZINC001164904974 721710182 /nfs/dbraw/zinc/71/01/82/721710182.db2.gz GDKLWQIDHACTJG-AREMUKBSSA-N 2 1 492.549 4.751 20 0 JJADMP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)ccc4C[NH+]4CCCC4)CC3)C2)cc1 ZINC001164940907 721927460 /nfs/dbraw/zinc/92/74/60/721927460.db2.gz WFSHPAMEXBMBCJ-UHFFFAOYSA-N 2 1 455.046 4.511 20 0 JJADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)ccc4C[NH+]4CCCC4)CC3)C2)cc1 ZINC001164940907 721927461 /nfs/dbraw/zinc/92/74/61/721927461.db2.gz WFSHPAMEXBMBCJ-UHFFFAOYSA-N 2 1 455.046 4.511 20 0 JJADMP CC(C)C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1)[NH+](C)C ZINC001359771451 1064405133 /nfs/dbraw/zinc/40/51/33/1064405133.db2.gz XNOIRMSDNHXPLJ-PXDATVDWSA-N 2 1 498.716 4.929 20 0 JJADMP CC(C)Cc1nnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001359777642 1064421493 /nfs/dbraw/zinc/42/14/93/1064421493.db2.gz OQDZBMIKQDZWFX-RUZDIDTESA-N 2 1 466.718 4.698 20 0 JJADMP CC(C)Cc1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001359807734 1064478157 /nfs/dbraw/zinc/47/81/57/1064478157.db2.gz BUIMHZMYWFURBI-QHCPKHFHSA-N 2 1 458.739 4.832 20 0 JJADMP CC(C)Cc1nnc(N2CCC(C[NH+](C)C(C)C)CC2)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001359808679 1064481499 /nfs/dbraw/zinc/48/14/99/1064481499.db2.gz RZZCERRHPSSGAJ-RUZDIDTESA-N 2 1 458.739 4.830 20 0 JJADMP CC(C)Cc1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C[C@H]1CCC[NH+]1C1CCCCC1 ZINC001359808679 1064481510 /nfs/dbraw/zinc/48/15/10/1064481510.db2.gz RZZCERRHPSSGAJ-RUZDIDTESA-N 2 1 458.739 4.830 20 0 JJADMP CC(C)Cc1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1C[C@H]1CCC[NH+]1C1CCCCC1 ZINC001359808679 1064481521 /nfs/dbraw/zinc/48/15/21/1064481521.db2.gz RZZCERRHPSSGAJ-RUZDIDTESA-N 2 1 458.739 4.830 20 0 JJADMP CC(C)Cc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001359832686 1064516765 /nfs/dbraw/zinc/51/67/65/1064516765.db2.gz NOYWETKCAXENMP-CCDWMCETSA-N 2 1 458.739 4.688 20 0 JJADMP CC(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001359833350 1064518322 /nfs/dbraw/zinc/51/83/22/1064518322.db2.gz WSBBHJYABOQACK-DNQXCXABSA-N 2 1 458.739 4.545 20 0 JJADMP CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001360092690 1064963068 /nfs/dbraw/zinc/96/30/68/1064963068.db2.gz OIXJXRHWSFQSOY-QHCPKHFHSA-N 2 1 496.744 4.520 20 0 JJADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001360092690 1064963076 /nfs/dbraw/zinc/96/30/76/1064963076.db2.gz OIXJXRHWSFQSOY-QHCPKHFHSA-N 2 1 496.744 4.520 20 0 JJADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001360092840 1064963809 /nfs/dbraw/zinc/96/38/09/1064963809.db2.gz UWQWZCODXDUXPV-UHFFFAOYSA-N 2 1 461.098 4.743 20 0 JJADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(CC(C)(C)C)n2CC[NH+]2CCc3sccc3C2)CC1 ZINC001360095588 1064969837 /nfs/dbraw/zinc/96/98/37/1064969837.db2.gz LOMHASQPMFUSRM-UHFFFAOYSA-N 2 1 472.747 4.543 20 0 JJADMP CC(C)[NH+](C)CC1CCN(c2nnc(CC(C)(C)C)n2CC[N@@H+]2CCc3sccc3C2)CC1 ZINC001360095588 1064969846 /nfs/dbraw/zinc/96/98/46/1064969846.db2.gz LOMHASQPMFUSRM-UHFFFAOYSA-N 2 1 472.747 4.543 20 0 JJADMP CC(C)[NH+](C)CC1CCN(c2nnc(CC(C)(C)C)n2CC[N@H+]2CCc3sccc3C2)CC1 ZINC001360095588 1064969856 /nfs/dbraw/zinc/96/98/56/1064969856.db2.gz LOMHASQPMFUSRM-UHFFFAOYSA-N 2 1 472.747 4.543 20 0 JJADMP CC(C)[N@@H+](C)CCCn1c(-c2cccnc2)nnc1N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1 ZINC001360097853 1064976525 /nfs/dbraw/zinc/97/65/25/1064976525.db2.gz FBCZEZMSJVPRFH-QHCPKHFHSA-N 2 1 467.706 4.551 20 0 JJADMP CC(C)[NH+](C)CCCn1c(-c2cccnc2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001360097853 1064976534 /nfs/dbraw/zinc/97/65/34/1064976534.db2.gz FBCZEZMSJVPRFH-QHCPKHFHSA-N 2 1 467.706 4.551 20 0 JJADMP CC(C)[NH+](C)CCCn1c(-c2cccnc2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001360097853 1064976543 /nfs/dbraw/zinc/97/65/43/1064976543.db2.gz FBCZEZMSJVPRFH-QHCPKHFHSA-N 2 1 467.706 4.551 20 0 JJADMP CC(C)[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001360104012 1064985080 /nfs/dbraw/zinc/98/50/80/1064985080.db2.gz HLXJWNADIXSGAZ-UHFFFAOYSA-N 2 1 489.506 4.503 20 0 JJADMP CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001360106511 1064988191 /nfs/dbraw/zinc/98/81/91/1064988191.db2.gz GADCGNHJFVNPFO-IBGZPJMESA-N 2 1 465.473 4.657 20 0 JJADMP CC(C)[N@H+]1CCC[C@@H](Cn2c(N3CCC[C@@H](C[NH+]4CCCCCC4)C3)nnc2C(C)(C)C)C1 ZINC001360140334 1065037600 /nfs/dbraw/zinc/03/76/00/1065037600.db2.gz BYVDPHZCBRKVIJ-BJKOFHAPSA-N 2 1 458.739 4.788 20 0 JJADMP CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001360309323 1065145168 /nfs/dbraw/zinc/14/51/68/1065145168.db2.gz BICNYXZZKZKJEQ-QFIPXVFZSA-N 2 1 482.717 4.606 20 0 JJADMP CC(C)[N@H+]1CCCN(c2nnc(CC3CCCC3)n2CC[C@H](C)[NH+](C)Cc2ccccc2)CC1 ZINC001360509928 1065451496 /nfs/dbraw/zinc/45/14/96/1065451496.db2.gz AFBVNCAVFIICLQ-DEOSSOPVSA-N 2 1 466.718 4.842 20 0 JJADMP CC(C)[NH+]1CCCN(c2nnc(CC3CCCC3)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001360509928 1065451504 /nfs/dbraw/zinc/45/15/04/1065451504.db2.gz AFBVNCAVFIICLQ-DEOSSOPVSA-N 2 1 466.718 4.842 20 0 JJADMP CC(C)[NH+]1CCCN(c2nnc(CC3CCCC3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001360509928 1065451510 /nfs/dbraw/zinc/45/15/10/1065451510.db2.gz AFBVNCAVFIICLQ-DEOSSOPVSA-N 2 1 466.718 4.842 20 0 JJADMP C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)[NH+](C)C1CC1 ZINC001360534184 1065515521 /nfs/dbraw/zinc/51/55/21/1065515521.db2.gz DGPATLFIIQNRID-GOSISDBHSA-N 2 1 489.506 4.501 20 0 JJADMP C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC[NH+](C(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001360534184 1065515530 /nfs/dbraw/zinc/51/55/30/1065515530.db2.gz DGPATLFIIQNRID-GOSISDBHSA-N 2 1 489.506 4.501 20 0 JJADMP C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC[NH+](C(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001360534184 1065515541 /nfs/dbraw/zinc/51/55/41/1065515541.db2.gz DGPATLFIIQNRID-GOSISDBHSA-N 2 1 489.506 4.501 20 0 JJADMP CCC[N@@H+](Cc1ccccc1)Cc1ccc(NC(=O)[C@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)cc1 ZINC001437229843 1065523997 /nfs/dbraw/zinc/52/39/97/1065523997.db2.gz ZZLQAKGABXLFMK-RRPNLBNLSA-N 2 1 459.638 4.506 20 0 JJADMP CCC[NH+](Cc1ccccc1)Cc1ccc(NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)cc1 ZINC001437229843 1065524007 /nfs/dbraw/zinc/52/40/07/1065524007.db2.gz ZZLQAKGABXLFMK-RRPNLBNLSA-N 2 1 459.638 4.506 20 0 JJADMP CCC[NH+](Cc1ccccc1)Cc1ccc(NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)cc1 ZINC001437229843 1065524022 /nfs/dbraw/zinc/52/40/22/1065524022.db2.gz ZZLQAKGABXLFMK-RRPNLBNLSA-N 2 1 459.638 4.506 20 0 JJADMP C[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)[NH+](C)C1CC1 ZINC001360583375 1065580633 /nfs/dbraw/zinc/58/06/33/1065580633.db2.gz CDRVYHKTRRSSJL-JOCHJYFZSA-N 2 1 496.744 4.948 20 0 JJADMP C[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[NH+](C(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001360583375 1065580645 /nfs/dbraw/zinc/58/06/45/1065580645.db2.gz CDRVYHKTRRSSJL-JOCHJYFZSA-N 2 1 496.744 4.948 20 0 JJADMP C[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[NH+](C(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001360583375 1065580654 /nfs/dbraw/zinc/58/06/54/1065580654.db2.gz CDRVYHKTRRSSJL-JOCHJYFZSA-N 2 1 496.744 4.948 20 0 JJADMP C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC[NH+]1CCCCCC1 ZINC001360746010 1065787397 /nfs/dbraw/zinc/78/73/97/1065787397.db2.gz RQNKNMWZMPIVQN-QFIPXVFZSA-N 2 1 486.680 4.744 20 0 JJADMP C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC[NH+]1CCCCCC1 ZINC001360746009 1065787477 /nfs/dbraw/zinc/78/74/77/1065787477.db2.gz RQNKNMWZMPIVQN-JOCHJYFZSA-N 2 1 486.680 4.744 20 0 JJADMP C[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001360773473 1065871745 /nfs/dbraw/zinc/87/17/45/1065871745.db2.gz IUMCULCHMHILNL-NHCUHLMSSA-N 2 1 486.680 4.598 20 0 JJADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](c3ccc(C(C)(C)C)cc3)C(F)(F)F)CC2)CC1 ZINC001442234460 1066105918 /nfs/dbraw/zinc/10/59/18/1066105918.db2.gz SEWXPEZOYDYJPQ-QFIPXVFZSA-N 2 1 453.593 4.900 20 0 JJADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC001442919321 1066240387 /nfs/dbraw/zinc/24/03/87/1066240387.db2.gz JNHRXGQDFXUXNP-MRXNPFEDSA-N 2 1 455.455 4.605 20 0 JJADMP Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)n2CC[N@H+](C)C(C)C)c1 ZINC001361032622 1066247029 /nfs/dbraw/zinc/24/70/29/1066247029.db2.gz STXVAJDYMREOKG-AREMUKBSSA-N 2 1 496.744 4.762 20 0 JJADMP Cc1cc(C)cc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001361034810 1066250798 /nfs/dbraw/zinc/25/07/98/1066250798.db2.gz DSHIXTQBPIPEJL-CLJLJLNGSA-N 2 1 496.744 4.762 20 0 JJADMP Cc1cc(C)cc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCC[NH+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001361034812 1066251495 /nfs/dbraw/zinc/25/14/95/1066251495.db2.gz DSHIXTQBPIPEJL-WMPKNSHKSA-N 2 1 496.744 4.762 20 0 JJADMP Cc1cc(C)cc(OCc2nnc(N3CCC[NH+](C(C)C)CC3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001361034812 1066251506 /nfs/dbraw/zinc/25/15/06/1066251506.db2.gz DSHIXTQBPIPEJL-WMPKNSHKSA-N 2 1 496.744 4.762 20 0 JJADMP Cc1cc(C)cc(OCc2nnc(N3CCC[NH+](C(C)C)CC3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001361034812 1066251524 /nfs/dbraw/zinc/25/15/24/1066251524.db2.gz DSHIXTQBPIPEJL-WMPKNSHKSA-N 2 1 496.744 4.762 20 0 JJADMP Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H](F)C[NH+](Cc3ccccc3)Cc3ccccc3)C2)c1 ZINC001454308016 1066267855 /nfs/dbraw/zinc/26/78/55/1066267855.db2.gz DKQZMYNPYDXOJO-NSOVKSMOSA-N 2 1 459.609 4.726 20 0 JJADMP Cc1cccc(C[N@H+]2CC[C@H](NC(=O)[C@@H](F)C[NH+](Cc3ccccc3)Cc3ccccc3)C2)c1 ZINC001454308016 1066267866 /nfs/dbraw/zinc/26/78/66/1066267866.db2.gz DKQZMYNPYDXOJO-NSOVKSMOSA-N 2 1 459.609 4.726 20 0 JJADMP Cc1ccc(C)c(OCc2nnc(N3CC[NH+](C4CCCCC4)CC3)n2CCC[N@H+](C)C(C)C)c1 ZINC001361159596 1066464392 /nfs/dbraw/zinc/46/43/92/1066464392.db2.gz DCODRMMYUBNGPR-UHFFFAOYSA-N 2 1 482.717 4.659 20 0 JJADMP Cc1ccc(-c2nnc(N(C)[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)n2CC(C)(C)C[NH+](C)C)o1 ZINC001361171016 1066486470 /nfs/dbraw/zinc/48/64/70/1066486470.db2.gz LFLFVDNINUUEMN-XUZZJYLKSA-N 2 1 478.685 4.924 20 0 JJADMP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001361192143 1066519316 /nfs/dbraw/zinc/51/93/16/1066519316.db2.gz HZWFIICPBAUOLH-UKILVPOCSA-N 2 1 459.556 4.737 20 0 JJADMP C[C@@H](c1ccc(NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)cc1)[NH+]1CCOCC1 ZINC001456158959 1066525840 /nfs/dbraw/zinc/52/58/40/1066525840.db2.gz XOOMEDKHPKDMPT-YADHBBJMSA-N 2 1 451.611 4.585 20 0 JJADMP C[C@@H](c1ccc(NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)cc1)[NH+]1CCOCC1 ZINC001456158959 1066525853 /nfs/dbraw/zinc/52/58/53/1066525853.db2.gz XOOMEDKHPKDMPT-YADHBBJMSA-N 2 1 451.611 4.585 20 0 JJADMP Cc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC[C@H](C)[NH+](C)Cc2ccccc2)o1 ZINC001361218178 1066554333 /nfs/dbraw/zinc/55/43/33/1066554333.db2.gz OLSXUOGUARQMJJ-QFIPXVFZSA-N 2 1 464.658 4.678 20 0 JJADMP Cc1ccc(-c2nnc(N3CCC[NH+](C(C)C)CC3)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC001361218178 1066554338 /nfs/dbraw/zinc/55/43/38/1066554338.db2.gz OLSXUOGUARQMJJ-QFIPXVFZSA-N 2 1 464.658 4.678 20 0 JJADMP Cc1ccc(-c2nnc(N3CCC[NH+](C(C)C)CC3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC001361218178 1066554349 /nfs/dbraw/zinc/55/43/49/1066554349.db2.gz OLSXUOGUARQMJJ-QFIPXVFZSA-N 2 1 464.658 4.678 20 0 JJADMP CC[C@@H](c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCC[NH+](CC)CC)c1ccccc1 ZINC001545751344 1067023622 /nfs/dbraw/zinc/02/36/22/1067023622.db2.gz DJXRSHFNNHMNAB-XMMPIXPASA-N 2 1 454.707 4.863 20 0 JJADMP CCc1ccc([C@H](CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)[NH+](CC)CC)cc1 ZINC001450482485 1067084581 /nfs/dbraw/zinc/08/45/81/1067084581.db2.gz LJQXDHJMAVEFML-RPBOFIJWSA-N 2 1 457.609 4.906 20 0 JJADMP CCC(CC)[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1)[NH+](C)C ZINC001545805015 1067118287 /nfs/dbraw/zinc/11/82/87/1067118287.db2.gz GKVOLMLBPARXRG-PGRDOPGGSA-N 2 1 491.522 4.604 20 0 JJADMP Cc1cccc2sc(N(Cc3ccccc3)C(=O)C[NH+]3CCC(CC[NH+](C)C)CC3)nc21 ZINC001459348120 1067300173 /nfs/dbraw/zinc/30/01/73/1067300173.db2.gz IIEAVVHBWCFZFH-UHFFFAOYSA-N 2 1 450.652 4.802 20 0 JJADMP COc1cccc(OC)c1OC1CC[NH+](CCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001459391087 1067311470 /nfs/dbraw/zinc/31/14/70/1067311470.db2.gz LFUKOHHWZNIADL-UHFFFAOYSA-N 2 1 452.639 4.892 20 0 JJADMP C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1cccc(OC(F)F)c1 ZINC001459850125 1067455206 /nfs/dbraw/zinc/45/52/06/1067455206.db2.gz ZTPNSZYRONBTRT-IIBYNOLFSA-N 2 1 451.945 4.545 20 0 JJADMP C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1cccc(OC(F)F)c1 ZINC001459850127 1067455516 /nfs/dbraw/zinc/45/55/16/1067455516.db2.gz ZTPNSZYRONBTRT-KKSFZXQISA-N 2 1 451.945 4.545 20 0 JJADMP C[N@@H+](Cc1ccccc1)C[C@H](C[NH2+][C@@H](CO)c1cccc(Br)c1)c1ccccc1 ZINC001459935386 1067498026 /nfs/dbraw/zinc/49/80/26/1067498026.db2.gz UYKJRROYSQYHQF-ZCYQVOJMSA-N 2 1 453.424 4.988 20 0 JJADMP C[N@H+](Cc1ccccc1)C[C@H](C[NH2+][C@@H](CO)c1cccc(Br)c1)c1ccccc1 ZINC001459935386 1067498028 /nfs/dbraw/zinc/49/80/28/1067498028.db2.gz UYKJRROYSQYHQF-ZCYQVOJMSA-N 2 1 453.424 4.988 20 0 JJADMP O=C(CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1ccc(Br)cc1 ZINC001460168775 1067568765 /nfs/dbraw/zinc/56/87/65/1067568765.db2.gz FSHGURSYAMIERS-UHFFFAOYSA-N 2 1 456.428 4.766 20 0 JJADMP C[C@]1(Cc2ccccc2Cl)CCC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001460403366 1067627331 /nfs/dbraw/zinc/62/73/31/1067627331.db2.gz DJBVGVXPVUHRJM-RUZDIDTESA-N 2 1 458.071 4.925 20 0 JJADMP COc1ccc(C(=O)Nc2cccc(OCC[NH2+]C3CC[NH+](Cc4ccccc4)CC3)c2)cc1 ZINC001461204800 1067799026 /nfs/dbraw/zinc/79/90/26/1067799026.db2.gz PQFUXBBLVUFQSJ-UHFFFAOYSA-N 2 1 459.590 4.581 20 0 JJADMP COc1cc(Br)c(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1OC ZINC001461381214 1067842878 /nfs/dbraw/zinc/84/28/78/1067842878.db2.gz LBDPUDUTRWHMII-CZTZKLFOSA-N 2 1 459.428 4.857 20 0 JJADMP COc1cc(Br)c(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1OC ZINC001461381214 1067842882 /nfs/dbraw/zinc/84/28/82/1067842882.db2.gz LBDPUDUTRWHMII-CZTZKLFOSA-N 2 1 459.428 4.857 20 0 JJADMP COc1cc(Br)c(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1OC ZINC001461815740 1067941381 /nfs/dbraw/zinc/94/13/81/1067941381.db2.gz HFUZMVYAHUYOED-HLAWJBBLSA-N 2 1 459.428 4.857 20 0 JJADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001461986562 1067975274 /nfs/dbraw/zinc/97/52/74/1067975274.db2.gz DFQPIXMWPRIMDF-NEKRIBJYSA-N 2 1 456.030 4.956 20 0 JJADMP CC(C)(C)[C@]1(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)CC[NH+](Cc2ccccc2)C1 ZINC001462015407 1067981319 /nfs/dbraw/zinc/98/13/19/1067981319.db2.gz SOUJIFYEQNLGIM-NDEPHWFRSA-N 2 1 451.630 4.912 20 0 JJADMP CC(C)(C)[C@]1(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)CC[NH+](Cc2ccccc2)C1 ZINC001462015407 1067981326 /nfs/dbraw/zinc/98/13/26/1067981326.db2.gz SOUJIFYEQNLGIM-NDEPHWFRSA-N 2 1 451.630 4.912 20 0 JJADMP CC(C)(C)[C@]1(C[NH+]2CCCN(C(=O)c3cccc(F)c3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001462015407 1067981344 /nfs/dbraw/zinc/98/13/44/1067981344.db2.gz SOUJIFYEQNLGIM-NDEPHWFRSA-N 2 1 451.630 4.912 20 0 JJADMP CC(C)(C)[C@]1(C[NH+]2CCCN(C(=O)c3cccc(F)c3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001462015407 1067981348 /nfs/dbraw/zinc/98/13/48/1067981348.db2.gz SOUJIFYEQNLGIM-NDEPHWFRSA-N 2 1 451.630 4.912 20 0 JJADMP COc1ccc(C[C@@](C)(O)C[NH2+]C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC001462312011 1068049392 /nfs/dbraw/zinc/04/93/92/1068049392.db2.gz ZFHKUWUZEHKJIS-VSGBNLITSA-N 2 1 454.655 4.525 20 0 JJADMP CNC(=O)[C@H](C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)Cc1ccc(C(F)(F)F)cc1 ZINC001462406070 1068067209 /nfs/dbraw/zinc/06/72/09/1068067209.db2.gz AWQQHHGOLDFTPF-BGWNEDDSSA-N 2 1 459.556 4.568 20 0 JJADMP CNC(=O)[C@H](C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)Cc1ccc(C(F)(F)F)cc1 ZINC001462406070 1068067220 /nfs/dbraw/zinc/06/72/20/1068067220.db2.gz AWQQHHGOLDFTPF-BGWNEDDSSA-N 2 1 459.556 4.568 20 0 JJADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC001464383035 1068726308 /nfs/dbraw/zinc/72/63/08/1068726308.db2.gz IPVQBRFIIKIBGG-UHFFFAOYSA-N 2 1 452.643 4.705 20 0 JJADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)n1 ZINC001164388210 718815434 /nfs/dbraw/zinc/81/54/34/718815434.db2.gz NJXDXLXDAXDWGV-JOCHJYFZSA-N 2 1 475.584 4.931 20 0 JJADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)n1 ZINC001164387893 718815516 /nfs/dbraw/zinc/81/55/16/718815516.db2.gz JNMXCBVZFRPWEC-FQEVSTJZSA-N 2 1 455.594 4.661 20 0 JJADMP FC(F)(F)[C@H]1CCC2(CC[NH2+]CC2)N1c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164413265 718881386 /nfs/dbraw/zinc/88/13/86/718881386.db2.gz GAAFHBWOPNLNCA-GOSISDBHSA-N 2 1 479.616 4.819 20 0 JJADMP c1ccc([C@@H]2C[NH2+]C[C@]23CCN(c2nc(C[NH+]4CCCCC4)nc4sc5c(c42)CCC5)C3)cc1 ZINC001164621329 719047802 /nfs/dbraw/zinc/04/78/02/719047802.db2.gz IOSXPNQZAUKYGW-DWACAAAGSA-N 2 1 473.690 4.749 20 0 JJADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cnc(Cl)c(-c3ccc(F)cc3)c2)c2c1CC[NH2+]C2 ZINC001164680596 719645330 /nfs/dbraw/zinc/64/53/30/719645330.db2.gz XQBCIEATVIZBQY-UHFFFAOYSA-N 2 1 463.935 4.821 20 0 JJADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cnc(Cl)c(-c3ccc(F)cc3)c2)c2c1CC[NH2+]C2 ZINC001164680596 719645343 /nfs/dbraw/zinc/64/53/43/719645343.db2.gz XQBCIEATVIZBQY-UHFFFAOYSA-N 2 1 463.935 4.821 20 0 JJADMP Cc1cccc2cc[nH+]c(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c12 ZINC001164683037 719680915 /nfs/dbraw/zinc/68/09/15/719680915.db2.gz QQMZXFVGWMWQOT-QHCPKHFHSA-N 2 1 456.634 4.637 20 0 JJADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@H](COC)[NH+](Cc4ccccn4)C3)CC2)nc1 ZINC001164712219 720152652 /nfs/dbraw/zinc/15/26/52/720152652.db2.gz LCEVUNPYCDSBPC-KAYWLYCHSA-N 2 1 477.697 4.921 20 0 JJADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164712219 720152653 /nfs/dbraw/zinc/15/26/53/720152653.db2.gz LCEVUNPYCDSBPC-KAYWLYCHSA-N 2 1 477.697 4.921 20 0 JJADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164712219 720152656 /nfs/dbraw/zinc/15/26/56/720152656.db2.gz LCEVUNPYCDSBPC-KAYWLYCHSA-N 2 1 477.697 4.921 20 0 JJADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H](COC)[NH+](Cc4ccccn4)C3)CC2)nc1 ZINC001164713547 720153174 /nfs/dbraw/zinc/15/31/74/720153174.db2.gz RUPZJRKSXLIVPG-IZZNHLLZSA-N 2 1 463.670 4.531 20 0 JJADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164713547 720153181 /nfs/dbraw/zinc/15/31/81/720153181.db2.gz RUPZJRKSXLIVPG-IZZNHLLZSA-N 2 1 463.670 4.531 20 0 JJADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164713547 720153194 /nfs/dbraw/zinc/15/31/94/720153194.db2.gz RUPZJRKSXLIVPG-IZZNHLLZSA-N 2 1 463.670 4.531 20 0 JJADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)n1 ZINC001164736442 720546277 /nfs/dbraw/zinc/54/62/77/720546277.db2.gz YGKDZQLBHWUUIY-LJQANCHMSA-N 2 1 459.704 4.666 20 0 JJADMP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1[nH+]cnc3c1ccn3Cc1cccc(F)c1)CC2 ZINC001164840413 720694499 /nfs/dbraw/zinc/69/44/99/720694499.db2.gz DMVIOVYAAMNVTN-RUZDIDTESA-N 2 1 485.607 4.879 20 0 JJADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1[nH+]cnc3c1ccn3Cc1cccc(F)c1)CC2 ZINC001164840413 720694506 /nfs/dbraw/zinc/69/45/06/720694506.db2.gz DMVIOVYAAMNVTN-RUZDIDTESA-N 2 1 485.607 4.879 20 0 JJADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H](COCC4CC4)[NH+](CCOC)C3)CC2)nc1 ZINC001164791264 721471438 /nfs/dbraw/zinc/47/14/38/721471438.db2.gz WETIEQRDGPPDHB-SXOMAYOGSA-N 2 1 484.729 4.753 20 0 JJADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nc1 ZINC001164791264 721471442 /nfs/dbraw/zinc/47/14/42/721471442.db2.gz WETIEQRDGPPDHB-SXOMAYOGSA-N 2 1 484.729 4.753 20 0 JJADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)nc1 ZINC001164791264 721471445 /nfs/dbraw/zinc/47/14/45/721471445.db2.gz WETIEQRDGPPDHB-SXOMAYOGSA-N 2 1 484.729 4.753 20 0 JJADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@H](COCC4CC4)[NH+](CCOC)C3)CC2)nc1 ZINC001164791256 721471468 /nfs/dbraw/zinc/47/14/68/721471468.db2.gz WETIEQRDGPPDHB-KAYWLYCHSA-N 2 1 484.729 4.753 20 0 JJADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nc1 ZINC001164791256 721471471 /nfs/dbraw/zinc/47/14/71/721471471.db2.gz WETIEQRDGPPDHB-KAYWLYCHSA-N 2 1 484.729 4.753 20 0 JJADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)nc1 ZINC001164791256 721471475 /nfs/dbraw/zinc/47/14/75/721471475.db2.gz WETIEQRDGPPDHB-KAYWLYCHSA-N 2 1 484.729 4.753 20 0 JJADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)CC2 ZINC001164796226 721504393 /nfs/dbraw/zinc/50/43/93/721504393.db2.gz QDUPAEKHWXENIL-UHFFFAOYSA-N 2 1 488.026 4.933 20 0 JJADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3[nH+]cnc4c3ccn4Cc3cccc(F)c3)C[C@H]21 ZINC001165022559 721814465 /nfs/dbraw/zinc/81/44/65/721814465.db2.gz FZCFNUBTIOAEFG-LPPUWEFUSA-N 2 1 470.596 4.751 20 0 JJADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3[nH+]cnc4c3ccn4Cc3cccc(F)c3)C[C@H]21 ZINC001165022559 721814467 /nfs/dbraw/zinc/81/44/67/721814467.db2.gz FZCFNUBTIOAEFG-LPPUWEFUSA-N 2 1 470.596 4.751 20 0 JJADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)COCC[NH+](Cc2ccncc2)C3)nc1 ZINC001164963722 722061890 /nfs/dbraw/zinc/06/18/90/722061890.db2.gz CKFHCRSEBUMASD-AREMUKBSSA-N 2 1 463.670 4.533 20 0 JJADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1 ZINC001164963722 722061892 /nfs/dbraw/zinc/06/18/92/722061892.db2.gz CKFHCRSEBUMASD-AREMUKBSSA-N 2 1 463.670 4.533 20 0 JJADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1 ZINC001164963722 722061893 /nfs/dbraw/zinc/06/18/93/722061893.db2.gz CKFHCRSEBUMASD-AREMUKBSSA-N 2 1 463.670 4.533 20 0 JJADMP CC(C)C[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1)[NH+](C)C ZINC001359766422 1064391945 /nfs/dbraw/zinc/39/19/45/1064391945.db2.gz NNDCWEXIHQYARR-UNMCSNQZSA-N 2 1 473.109 4.885 20 0 JJADMP CC(C)C[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC001359770923 1064402741 /nfs/dbraw/zinc/40/27/41/1064402741.db2.gz NMJAXLSMFBTDNE-LADGPHEKSA-N 2 1 454.707 4.554 20 0 JJADMP CC(C)Cc1nnc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001359777367 1064421316 /nfs/dbraw/zinc/42/13/16/1064421316.db2.gz HZOLPOWXPOFUPN-AOYPEHQESA-N 2 1 466.718 4.842 20 0 JJADMP CC(C)Cc1nnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001359777643 1064422007 /nfs/dbraw/zinc/42/20/07/1064422007.db2.gz OQDZBMIKQDZWFX-VWLOTQADSA-N 2 1 466.718 4.698 20 0 JJADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)c1 ZINC001435057775 1064476213 /nfs/dbraw/zinc/47/62/13/1064476213.db2.gz VRSMWYLMVJYGSW-UHFFFAOYSA-N 2 1 456.594 4.732 20 0 JJADMP CC(C)Cc1nnc(N2CCC(C[NH+](C)C(C)C)CC2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001359808680 1064481691 /nfs/dbraw/zinc/48/16/91/1064481691.db2.gz RZZCERRHPSSGAJ-VWLOTQADSA-N 2 1 458.739 4.830 20 0 JJADMP CC(C)Cc1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C[C@@H]1CCC[NH+]1C1CCCCC1 ZINC001359808680 1064481701 /nfs/dbraw/zinc/48/17/01/1064481701.db2.gz RZZCERRHPSSGAJ-VWLOTQADSA-N 2 1 458.739 4.830 20 0 JJADMP CC(C)Cc1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1C[C@@H]1CCC[NH+]1C1CCCCC1 ZINC001359808680 1064481705 /nfs/dbraw/zinc/48/17/05/1064481705.db2.gz RZZCERRHPSSGAJ-VWLOTQADSA-N 2 1 458.739 4.830 20 0 JJADMP CC(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001359833434 1064519052 /nfs/dbraw/zinc/51/90/52/1064519052.db2.gz XOGINYUAQMDGAZ-UBFVSLLYSA-N 2 1 458.739 4.545 20 0 JJADMP CC(C)Cc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1CCCC[NH+]1CCC(C)CC1 ZINC001359860582 1064549384 /nfs/dbraw/zinc/54/93/84/1064549384.db2.gz JMKFHXZCURZZAR-VWLOTQADSA-N 2 1 466.718 4.699 20 0 JJADMP CC(C)Cc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@H](c1cccs1)[NH+](C)C ZINC001359861575 1064552280 /nfs/dbraw/zinc/55/22/80/1064552280.db2.gz ZOEDTTLRLHITLK-FYYLOGMGSA-N 2 1 466.699 4.552 20 0 JJADMP CC(C)[N@@H+](C)CCCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001360097236 1064973074 /nfs/dbraw/zinc/97/30/74/1064973074.db2.gz AKAVHIRIRSWSGJ-UHFFFAOYSA-N 2 1 489.506 4.503 20 0 JJADMP CC(C)[N@@H+](C)CCCn1c([C@@H]2CCCCO2)nnc1N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1 ZINC001360100081 1064979617 /nfs/dbraw/zinc/97/96/17/1064979617.db2.gz GOZSSVNDDBBZCO-ZCYQVOJMSA-N 2 1 474.738 4.731 20 0 JJADMP CC(C)[NH+](C)CCCn1c([C@@H]2CCCCO2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001360100081 1064979621 /nfs/dbraw/zinc/97/96/21/1064979621.db2.gz GOZSSVNDDBBZCO-ZCYQVOJMSA-N 2 1 474.738 4.731 20 0 JJADMP CC(C)[NH+](C)CCCn1c([C@@H]2CCCCO2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001360100081 1064979629 /nfs/dbraw/zinc/97/96/29/1064979629.db2.gz GOZSSVNDDBBZCO-ZCYQVOJMSA-N 2 1 474.738 4.731 20 0 JJADMP CC(C)[NH+](CCCn1c(C2CCCC2)nnc1N1CC[NH+](Cc2ccsc2)CC1)C(C)C ZINC001360125258 1065017222 /nfs/dbraw/zinc/01/72/22/1065017222.db2.gz DJFHMIAEEHDSHP-UHFFFAOYSA-N 2 1 458.720 4.828 20 0 JJADMP CC(C)[NH+](CCn1c(CC(C)(C)C)nnc1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C(C)C ZINC001360133301 1065028219 /nfs/dbraw/zinc/02/82/19/1065028219.db2.gz QXLMLCBJHHKJIF-PLQXJYEYSA-N 2 1 466.718 4.554 20 0 JJADMP CC(C)[N@H+]1CCCN(c2nnc(Cc3ccsc3)n2CCC[NH+](C)C2CCCCC2)CC1 ZINC001360147246 1065049469 /nfs/dbraw/zinc/04/94/69/1065049469.db2.gz NYVQBJUPOQUQPE-UHFFFAOYSA-N 2 1 458.720 4.506 20 0 JJADMP CC(C)[NH+]1CCCN(c2nnc(Cc3ccsc3)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001360147246 1065049485 /nfs/dbraw/zinc/04/94/85/1065049485.db2.gz NYVQBJUPOQUQPE-UHFFFAOYSA-N 2 1 458.720 4.506 20 0 JJADMP CC(C)[NH+]1CCCN(c2nnc(Cc3ccsc3)n2CCC[N@@H+](C)C2CCCCC2)CC1 ZINC001360147246 1065049500 /nfs/dbraw/zinc/04/95/00/1065049500.db2.gz NYVQBJUPOQUQPE-UHFFFAOYSA-N 2 1 458.720 4.506 20 0 JJADMP 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 1065093396 /nfs/dbraw/zinc/09/33/96/1065093396.db2.gz PSWKKQLBBIIURM-LSCGWGKXSA-N 2 1 480.672 4.549 20 0 JJADMP CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001360309726 1065146035 /nfs/dbraw/zinc/14/60/35/1065146035.db2.gz KIQWASSAXULZGY-NRFANRHFSA-N 2 1 482.717 4.604 20 0 JJADMP CC(C)[N@H+]1CCCN(c2nnc(CC3CCCC3)n2CC[C@@H](C)[NH+](C)Cc2ccccc2)CC1 ZINC001360509929 1065451608 /nfs/dbraw/zinc/45/16/08/1065451608.db2.gz AFBVNCAVFIICLQ-XMMPIXPASA-N 2 1 466.718 4.842 20 0 JJADMP CC(C)[NH+]1CCCN(c2nnc(CC3CCCC3)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001360509929 1065451612 /nfs/dbraw/zinc/45/16/12/1065451612.db2.gz AFBVNCAVFIICLQ-XMMPIXPASA-N 2 1 466.718 4.842 20 0 JJADMP CC(C)[NH+]1CCCN(c2nnc(CC3CCCC3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001360509929 1065451619 /nfs/dbraw/zinc/45/16/19/1065451619.db2.gz AFBVNCAVFIICLQ-XMMPIXPASA-N 2 1 466.718 4.842 20 0 JJADMP C[C@H](CCn1c([C@H]2CCCO2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC001360514159 1065465270 /nfs/dbraw/zinc/46/52/70/1065465270.db2.gz OMWJQXPQENCNKB-ILBGXUMGSA-N 2 1 482.717 4.598 20 0 JJADMP C[C@@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[N@H+](C(C)(C)C)CC1)C[NH+]1CCCC1 ZINC001360592599 1065601616 /nfs/dbraw/zinc/60/16/16/1065601616.db2.gz YORYFIGTYJSXDU-YADHBBJMSA-N 2 1 486.680 4.600 20 0 JJADMP C[C@H](Cn1c(CCCc2ccccc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)C[NH+]1CCCCC1 ZINC001360602139 1065626394 /nfs/dbraw/zinc/62/63/94/1065626394.db2.gz MSQNEJFKROUWKK-VWLOTQADSA-N 2 1 480.745 4.886 20 0 JJADMP CC(C)[N@H+]1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2[NH+](C)CCCC2(C)C)CC1 ZINC001360745896 1065786392 /nfs/dbraw/zinc/78/63/92/1065786392.db2.gz QCSRWVAQVVKJPK-URXFXBBRSA-N 2 1 486.680 4.598 20 0 JJADMP CC(C)[NH+]1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001360745896 1065786405 /nfs/dbraw/zinc/78/64/05/1065786405.db2.gz QCSRWVAQVVKJPK-URXFXBBRSA-N 2 1 486.680 4.598 20 0 JJADMP CC(C)[NH+]1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001360745896 1065786419 /nfs/dbraw/zinc/78/64/19/1065786419.db2.gz QCSRWVAQVVKJPK-URXFXBBRSA-N 2 1 486.680 4.598 20 0 JJADMP O=C(NCCC[NH+]1CCCCCC1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001440676133 1065963338 /nfs/dbraw/zinc/96/33/38/1065963338.db2.gz WXGGPCHJVQGWJC-IZZNHLLZSA-N 2 1 454.058 4.938 20 0 JJADMP Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@H](C)[NH+](C)C ZINC001360911196 1066068118 /nfs/dbraw/zinc/06/81/18/1066068118.db2.gz YGDBXXVKZPIGSF-LJQANCHMSA-N 2 1 481.714 4.638 20 0 JJADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC001360996406 1066175102 /nfs/dbraw/zinc/17/51/02/1066175102.db2.gz JEUCDAZUHSUIAY-OTPAQWSUSA-N 2 1 455.668 4.814 20 0 JJADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001360996406 1066175111 /nfs/dbraw/zinc/17/51/11/1066175111.db2.gz JEUCDAZUHSUIAY-OTPAQWSUSA-N 2 1 455.668 4.814 20 0 JJADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001360996406 1066175116 /nfs/dbraw/zinc/17/51/16/1066175116.db2.gz JEUCDAZUHSUIAY-OTPAQWSUSA-N 2 1 455.668 4.814 20 0 JJADMP 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 1066381396 /nfs/dbraw/zinc/38/13/96/1066381396.db2.gz IAXJBYWWJOJGJG-CCDWMCETSA-N 2 1 496.744 4.938 20 0 JJADMP Cc1ccc(C)c(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)c1 ZINC001361158647 1066461838 /nfs/dbraw/zinc/46/18/38/1066461838.db2.gz DVGVWBBMNJDXDW-NOZRDPDXSA-N 2 1 482.717 4.515 20 0 JJADMP Cc1ccc(C)c(OCc2nnc(N3CCC[NH+](C(C)C)CC3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001361158647 1066461847 /nfs/dbraw/zinc/46/18/47/1066461847.db2.gz DVGVWBBMNJDXDW-NOZRDPDXSA-N 2 1 482.717 4.515 20 0 JJADMP Cc1ccc(C)c(OCc2nnc(N3CCC[NH+](C(C)C)CC3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001361158647 1066461854 /nfs/dbraw/zinc/46/18/54/1066461854.db2.gz DVGVWBBMNJDXDW-NOZRDPDXSA-N 2 1 482.717 4.515 20 0 JJADMP Cc1ccc(C)c(OCc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC[N@H+](C)C2CCCC2)c1 ZINC001361162008 1066468470 /nfs/dbraw/zinc/46/84/70/1066468470.db2.gz FPYTXIMARFVBMD-UHFFFAOYSA-N 2 1 496.744 4.907 20 0 JJADMP Cc1[nH+]ccn1CCCn1c(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nnc1C(C)(C)C ZINC001492709893 1066874363 /nfs/dbraw/zinc/87/43/63/1066874363.db2.gz XBLWLXBFGARIGJ-XUZZJYLKSA-N 2 1 463.674 4.660 20 0 JJADMP Cc1[nH+]ccn1CCCn1c(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nnc1C(C)(C)C ZINC001492709893 1066874371 /nfs/dbraw/zinc/87/43/71/1066874371.db2.gz XBLWLXBFGARIGJ-XUZZJYLKSA-N 2 1 463.674 4.660 20 0 JJADMP 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 1066947105 /nfs/dbraw/zinc/94/71/05/1066947105.db2.gz JZXGPYBVTCRAAM-JPYYHWIRSA-N 2 1 466.718 4.834 20 0 JJADMP Cc1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1CCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001492776927 1066947112 /nfs/dbraw/zinc/94/71/12/1066947112.db2.gz JZXGPYBVTCRAAM-JPYYHWIRSA-N 2 1 466.718 4.834 20 0 JJADMP Cc1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1CCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001492776927 1066947118 /nfs/dbraw/zinc/94/71/18/1066947118.db2.gz JZXGPYBVTCRAAM-JPYYHWIRSA-N 2 1 466.718 4.834 20 0 JJADMP CC[C@H](c1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1CC[N@H+]1CCC[C@H]1C)c1ccccc1 ZINC001545752494 1067028047 /nfs/dbraw/zinc/02/80/47/1067028047.db2.gz YITRVHYSTXNMJO-VWNXMTODSA-N 2 1 452.691 4.615 20 0 JJADMP CC[C@H](c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC[NH+]1CCC[C@H]1C)c1ccccc1 ZINC001545752494 1067028061 /nfs/dbraw/zinc/02/80/61/1067028061.db2.gz YITRVHYSTXNMJO-VWNXMTODSA-N 2 1 452.691 4.615 20 0 JJADMP CC[C@H](c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC[NH+]1CCC[C@H]1C)c1ccccc1 ZINC001545752494 1067028075 /nfs/dbraw/zinc/02/80/75/1067028075.db2.gz YITRVHYSTXNMJO-VWNXMTODSA-N 2 1 452.691 4.615 20 0 JJADMP CCC(CC)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[N@H+]2CCCC[C@H]2C1)[NH+](C)C ZINC001545805776 1067121578 /nfs/dbraw/zinc/12/15/78/1067121578.db2.gz RWSXWSPKZCDTNC-XZOQPEGZSA-N 2 1 459.082 4.639 20 0 JJADMP CCC(CC)[C@H](Cn1c(Cc2ccccc2F)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1)[NH+](C)C ZINC001545817548 1067149950 /nfs/dbraw/zinc/14/99/50/1067149950.db2.gz LLPAVWNQAXHVSS-RLWLMLJZSA-N 2 1 484.708 4.685 20 0 JJADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](CCc3ccc(Cl)cc3)CC3CC3)CC2)cc1 ZINC001459495616 1067338285 /nfs/dbraw/zinc/33/82/85/1067338285.db2.gz XQHXTJOJIOHAAH-UHFFFAOYSA-N 2 1 454.058 4.637 20 0 JJADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](CCc3ccc(Cl)cc3)CC3CC3)CC2)cc1 ZINC001459495616 1067338298 /nfs/dbraw/zinc/33/82/98/1067338298.db2.gz XQHXTJOJIOHAAH-UHFFFAOYSA-N 2 1 454.058 4.637 20 0 JJADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](CCc3ccc(Cl)cc3)CC3CC3)CC2)cc1 ZINC001459495616 1067338305 /nfs/dbraw/zinc/33/83/05/1067338305.db2.gz XQHXTJOJIOHAAH-UHFFFAOYSA-N 2 1 454.058 4.637 20 0 JJADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001459609469 1067362788 /nfs/dbraw/zinc/36/27/88/1067362788.db2.gz MPQQSNBQSWICFK-FDDCHVKYSA-N 2 1 451.438 4.734 20 0 JJADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001459609469 1067362800 /nfs/dbraw/zinc/36/28/00/1067362800.db2.gz MPQQSNBQSWICFK-FDDCHVKYSA-N 2 1 451.438 4.734 20 0 JJADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001459609469 1067362810 /nfs/dbraw/zinc/36/28/10/1067362810.db2.gz MPQQSNBQSWICFK-FDDCHVKYSA-N 2 1 451.438 4.734 20 0 JJADMP CC[N@H+](CCC1CC[NH+](Cc2nc(-c3ccc(Br)s3)no2)CC1)CC1CC1 ZINC001459816845 1067436571 /nfs/dbraw/zinc/43/65/71/1067436571.db2.gz GBPQMVGSVUILPL-UHFFFAOYSA-N 2 1 453.450 4.895 20 0 JJADMP CC[N@@H+](CCC1CC[NH+](Cc2nc(-c3ccc(Br)s3)no2)CC1)CC1CC1 ZINC001459816845 1067436576 /nfs/dbraw/zinc/43/65/76/1067436576.db2.gz GBPQMVGSVUILPL-UHFFFAOYSA-N 2 1 453.450 4.895 20 0 JJADMP C[N@@H+](Cc1ccccc1)C[C@@H](C[NH2+][C@H](CO)c1cccc(Br)c1)c1ccccc1 ZINC001459934879 1067498040 /nfs/dbraw/zinc/49/80/40/1067498040.db2.gz UYKJRROYSQYHQF-ILBGXUMGSA-N 2 1 453.424 4.988 20 0 JJADMP C[N@H+](Cc1ccccc1)C[C@@H](C[NH2+][C@H](CO)c1cccc(Br)c1)c1ccccc1 ZINC001459934879 1067498042 /nfs/dbraw/zinc/49/80/42/1067498042.db2.gz UYKJRROYSQYHQF-ILBGXUMGSA-N 2 1 453.424 4.988 20 0 JJADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](CC(C)C)[C@@H](C)c3ccccc3C)CC2)cc1 ZINC001460087702 1067550635 /nfs/dbraw/zinc/55/06/35/1067550635.db2.gz BTSKNOPPBJLJJQ-DEOSSOPVSA-N 2 1 451.655 4.757 20 0 JJADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](CC(C)C)[C@@H](C)c3ccccc3C)CC2)cc1 ZINC001460087702 1067550641 /nfs/dbraw/zinc/55/06/41/1067550641.db2.gz BTSKNOPPBJLJJQ-DEOSSOPVSA-N 2 1 451.655 4.757 20 0 JJADMP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](CC(C)C)[C@@H](C)c3ccccc3C)CC2)cc1 ZINC001460087702 1067550646 /nfs/dbraw/zinc/55/06/46/1067550646.db2.gz BTSKNOPPBJLJJQ-DEOSSOPVSA-N 2 1 451.655 4.757 20 0 JJADMP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](CC(C)C)[C@@H](C)c3ccccc3C)CC2)cc1 ZINC001460087702 1067550650 /nfs/dbraw/zinc/55/06/50/1067550650.db2.gz BTSKNOPPBJLJJQ-DEOSSOPVSA-N 2 1 451.655 4.757 20 0 JJADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@](C)(Cc3ccc(Cl)cc3)C(C)C)CC2)cc1 ZINC001460149309 1067565346 /nfs/dbraw/zinc/56/53/46/1067565346.db2.gz IKLDTNPFSLSZNP-MHZLTWQESA-N 2 1 456.074 4.930 20 0 JJADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@@]2(C)Cc2cccc(Cl)c2)CC1 ZINC001460341961 1067612471 /nfs/dbraw/zinc/61/24/71/1067612471.db2.gz SXRCZOFUUFKPFZ-MHZLTWQESA-N 2 1 454.058 4.780 20 0 JJADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@@]2(C)Cc2cccc(Cl)c2)CC1 ZINC001460341961 1067612477 /nfs/dbraw/zinc/61/24/77/1067612477.db2.gz SXRCZOFUUFKPFZ-MHZLTWQESA-N 2 1 454.058 4.780 20 0 JJADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@@]2(C)Cc2cccc(Cl)c2)CC1 ZINC001460341961 1067612483 /nfs/dbraw/zinc/61/24/83/1067612483.db2.gz SXRCZOFUUFKPFZ-MHZLTWQESA-N 2 1 454.058 4.780 20 0 JJADMP 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 1067713457 /nfs/dbraw/zinc/71/34/57/1067713457.db2.gz BNIBFNDUFDVIAC-HNNXBMFYSA-N 2 1 451.677 4.637 20 0 JJADMP Fc1ccc(I)c(F)c1C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001461004688 1067761011 /nfs/dbraw/zinc/76/10/11/1067761011.db2.gz JUMWAAMWFAJLAO-UHFFFAOYSA-N 2 1 456.318 4.845 20 0 JJADMP Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001461122693 1067785645 /nfs/dbraw/zinc/78/56/45/1067785645.db2.gz ULMVIBSSBICBFS-OAQYLSRUSA-N 2 1 453.428 4.945 20 0 JJADMP Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001461122693 1067785654 /nfs/dbraw/zinc/78/56/54/1067785654.db2.gz ULMVIBSSBICBFS-OAQYLSRUSA-N 2 1 453.428 4.945 20 0 JJADMP CN1CCN(c2cccc(Cl)c2CN[C@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC001461612816 1067901844 /nfs/dbraw/zinc/90/18/44/1067901844.db2.gz LTRCXBGZHQUURU-REWPJTCUSA-N 2 1 456.030 4.752 20 0 JJADMP CN1CCN(c2cccc(Cl)c2CN[C@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC001461612815 1067901886 /nfs/dbraw/zinc/90/18/86/1067901886.db2.gz LTRCXBGZHQUURU-OFNKIYASSA-N 2 1 456.030 4.752 20 0 JJADMP CCCC1(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)CCN(C(=O)OC(C)(C)C)CC1 ZINC001461993881 1067976594 /nfs/dbraw/zinc/97/65/94/1067976594.db2.gz FBSGODWFIDTMLW-XMMPIXPASA-N 2 1 459.675 4.550 20 0 JJADMP COCC1(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001462242376 1068036385 /nfs/dbraw/zinc/03/63/85/1068036385.db2.gz XEAZSCDSJXLQTK-VWNXMTODSA-N 2 1 457.659 4.608 20 0 JJADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001462242376 1068036394 /nfs/dbraw/zinc/03/63/94/1068036394.db2.gz XEAZSCDSJXLQTK-VWNXMTODSA-N 2 1 457.659 4.608 20 0 JJADMP COCC1(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001462242371 1068036696 /nfs/dbraw/zinc/03/66/96/1068036696.db2.gz XEAZSCDSJXLQTK-UPVQGACJSA-N 2 1 457.659 4.608 20 0 JJADMP COCC1(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001462242371 1068036706 /nfs/dbraw/zinc/03/67/06/1068036706.db2.gz XEAZSCDSJXLQTK-UPVQGACJSA-N 2 1 457.659 4.608 20 0 JJADMP CNC(=O)[C@H](C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)Cc1ccc(C(F)(F)F)cc1 ZINC001462406086 1068067077 /nfs/dbraw/zinc/06/70/77/1068067077.db2.gz AWQQHHGOLDFTPF-SSPYTLHUSA-N 2 1 459.556 4.568 20 0 JJADMP CNC(=O)[C@H](C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)Cc1ccc(C(F)(F)F)cc1 ZINC001462406086 1068067089 /nfs/dbraw/zinc/06/70/89/1068067089.db2.gz AWQQHHGOLDFTPF-SSPYTLHUSA-N 2 1 459.556 4.568 20 0 JJADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3c(Br)cc(F)c(F)c3N3CCCCC3)C[C@@H]2C1 ZINC001462655429 1068125790 /nfs/dbraw/zinc/12/57/90/1068125790.db2.gz QZZAKZDROCYQFS-IXDOHACOSA-N 2 1 456.419 4.880 20 0 JJADMP COc1cccc([C@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)[NH+](C)C)c1 ZINC001463771833 1068519790 /nfs/dbraw/zinc/51/97/90/1068519790.db2.gz VSNBXCIVSCPQLD-NHKHRBQYSA-N 2 1 471.645 4.638 20 0 JJADMP CCc1ccc([C@H](NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)c2cccc(F)c2)cc1 ZINC001464015248 1068589486 /nfs/dbraw/zinc/58/94/86/1068589486.db2.gz IXQCRMRTYYQQLY-MHZLTWQESA-N 2 1 451.630 4.790 20 0 JJADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCC2(F)F)cc1 ZINC001464165994 1068640324 /nfs/dbraw/zinc/64/03/24/1068640324.db2.gz AEECZXYHZVANAV-BWKNWUBXSA-N 2 1 455.593 4.835 20 0 JJADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC001464165994 1068640331 /nfs/dbraw/zinc/64/03/31/1068640331.db2.gz AEECZXYHZVANAV-BWKNWUBXSA-N 2 1 455.593 4.835 20 0 JJADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC001464165994 1068640336 /nfs/dbraw/zinc/64/03/36/1068640336.db2.gz AEECZXYHZVANAV-BWKNWUBXSA-N 2 1 455.593 4.835 20 0 JJADMP CC(C)(C)[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001464536052 1068775033 /nfs/dbraw/zinc/77/50/33/1068775033.db2.gz LJIHOEUXOYALPT-LOSJGSFVSA-N 2 1 454.058 4.888 20 0 JJADMP CC(C)(C)[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001464536052 1068775040 /nfs/dbraw/zinc/77/50/40/1068775040.db2.gz LJIHOEUXOYALPT-LOSJGSFVSA-N 2 1 454.058 4.888 20 0 JJADMP CC(C)(C)[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001464536052 1068775044 /nfs/dbraw/zinc/77/50/44/1068775044.db2.gz LJIHOEUXOYALPT-LOSJGSFVSA-N 2 1 454.058 4.888 20 0 JJADMP FC(F)(F)[C@H]1N(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)CCC12CC[NH2+]CC2 ZINC001164389458 718815567 /nfs/dbraw/zinc/81/55/67/718815567.db2.gz WKBCJEUSZPRNMT-QFIPXVFZSA-N 2 1 479.616 4.677 20 0 JJADMP CCOC(=O)C1CC[NH+](C2CCN(c3nc(C[NH+]4CCCCC4)nc4sc(C)c(C)c43)CC2)CC1 ZINC001164618539 719031814 /nfs/dbraw/zinc/03/18/14/719031814.db2.gz UMCAUMUOKIUWPY-UHFFFAOYSA-N 2 1 499.725 4.538 20 0 JJADMP CC(C)[N@H+](C)Cc1nn(-c2cc(-c3ccc(Cl)nc3)ccc2C2OCCCO2)c2c1CC[NH2+]C2 ZINC001164679743 719633379 /nfs/dbraw/zinc/63/33/79/719633379.db2.gz LJBKGAZORQAVDD-UHFFFAOYSA-N 2 1 482.028 4.509 20 0 JJADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(-c3ccc(Cl)nc3)ccc2C2OCCCO2)c2c1CC[NH2+]C2 ZINC001164679743 719633388 /nfs/dbraw/zinc/63/33/88/719633388.db2.gz LJBKGAZORQAVDD-UHFFFAOYSA-N 2 1 482.028 4.509 20 0 JJADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)C[NH+](Cc2cccs2)CCO3)nc1 ZINC001164706955 719902803 /nfs/dbraw/zinc/90/28/03/719902803.db2.gz MCXQEYICEADRNL-XMMPIXPASA-N 2 1 454.684 4.952 20 0 JJADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1 ZINC001164706955 719902809 /nfs/dbraw/zinc/90/28/09/719902809.db2.gz MCXQEYICEADRNL-XMMPIXPASA-N 2 1 454.684 4.952 20 0 JJADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1 ZINC001164706955 719902816 /nfs/dbraw/zinc/90/28/16/719902816.db2.gz MCXQEYICEADRNL-XMMPIXPASA-N 2 1 454.684 4.952 20 0 JJADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3c1ccn3Cc1ccccc1)CC2 ZINC001164717485 720123806 /nfs/dbraw/zinc/12/38/06/720123806.db2.gz PLRXTTUQBSCDBT-SANMLTNESA-N 2 1 481.644 4.987 20 0 JJADMP CC(C)(C)N(c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001164734065 720546135 /nfs/dbraw/zinc/54/61/35/720546135.db2.gz GYAKMRBETHJDOR-IBGZPJMESA-N 2 1 483.726 4.682 20 0 JJADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H](COCC4CC4)[NH+](CCOC)C3)CC2)nc1 ZINC001164791260 721471347 /nfs/dbraw/zinc/47/13/47/721471347.db2.gz WETIEQRDGPPDHB-RRPNLBNLSA-N 2 1 484.729 4.753 20 0 JJADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nc1 ZINC001164791260 721471349 /nfs/dbraw/zinc/47/13/49/721471349.db2.gz WETIEQRDGPPDHB-RRPNLBNLSA-N 2 1 484.729 4.753 20 0 JJADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)nc1 ZINC001164791260 721471354 /nfs/dbraw/zinc/47/13/54/721471354.db2.gz WETIEQRDGPPDHB-RRPNLBNLSA-N 2 1 484.729 4.753 20 0 JJADMP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1[nH+]cnc3c1ccn3Cc1ccc(F)cc1)CC2 ZINC001164791957 721496804 /nfs/dbraw/zinc/49/68/04/721496804.db2.gz GSIQYXQLXPLBNN-UHFFFAOYSA-N 2 1 470.596 4.895 20 0 JJADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1[nH+]cnc3c1ccn3Cc1ccc(F)cc1)CC2 ZINC001164791957 721496805 /nfs/dbraw/zinc/49/68/05/721496805.db2.gz GSIQYXQLXPLBNN-UHFFFAOYSA-N 2 1 470.596 4.895 20 0 JJADMP FC1(F)CCN(c2ccc3c(n2)CC[NH+](Cc2ccccc2)C3)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906130 721696629 /nfs/dbraw/zinc/69/66/29/721696629.db2.gz LQOJYUVBRSIVHS-NDEPHWFRSA-N 2 1 489.614 4.773 20 0 JJADMP FC1(F)CCN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001164906130 721696634 /nfs/dbraw/zinc/69/66/34/721696634.db2.gz LQOJYUVBRSIVHS-NDEPHWFRSA-N 2 1 489.614 4.773 20 0 JJADMP FC1(F)CCN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001164906130 721696638 /nfs/dbraw/zinc/69/66/38/721696638.db2.gz LQOJYUVBRSIVHS-NDEPHWFRSA-N 2 1 489.614 4.773 20 0 JJADMP Fc1cccc(Cn2ccc3c2nc[nH+]c3N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164908226 721708859 /nfs/dbraw/zinc/70/88/59/721708859.db2.gz WMRHWFYKGSGCQX-AREMUKBSSA-N 2 1 492.549 4.751 20 0 JJADMP Fc1cccc(Cn2ccc3c2nc[nH+]c3N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164908226 721708861 /nfs/dbraw/zinc/70/88/61/721708861.db2.gz WMRHWFYKGSGCQX-AREMUKBSSA-N 2 1 492.549 4.751 20 0 JJADMP c1cn(Cc2ccccc2)c2cc[nH+]c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c12 ZINC001164964074 722057254 /nfs/dbraw/zinc/05/72/54/722057254.db2.gz RFQDOIKGMLEELL-UHFFFAOYSA-N 2 1 467.617 4.599 20 0 JJADMP CC(C)C[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1)[NH+](C)C ZINC001359766420 1064391886 /nfs/dbraw/zinc/39/18/86/1064391886.db2.gz NNDCWEXIHQYARR-IRLDBZIGSA-N 2 1 473.109 4.885 20 0 JJADMP CC(C)C[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)[NH+](C)C ZINC001359766836 1064394652 /nfs/dbraw/zinc/39/46/52/1064394652.db2.gz VOKXXXPIIBWYBX-UXHICEINSA-N 2 1 479.500 4.903 20 0 JJADMP CC(C)C[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](Cc2ccsc2)CC1)[NH+](C)C ZINC001359767028 1064395159 /nfs/dbraw/zinc/39/51/59/1064395159.db2.gz ZBZLZKVXBSRYEJ-QHCPKHFHSA-N 2 1 487.117 4.959 20 0 JJADMP CC(C)C[C@@H](Cn1c(Cc2ccsc2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC001359770991 1064403762 /nfs/dbraw/zinc/40/37/62/1064403762.db2.gz OSRMYUAGWZOIJJ-DHLKQENFSA-N 2 1 480.726 4.617 20 0 JJADMP CC(C)Cc1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001359802059 1064469683 /nfs/dbraw/zinc/46/96/83/1064469683.db2.gz GYUDCNKULOHAQH-DQEYMECFSA-N 2 1 466.718 4.842 20 0 JJADMP CC(C)Cc1nnc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001359802061 1064469710 /nfs/dbraw/zinc/46/97/10/1064469710.db2.gz GYUDCNKULOHAQH-LOSJGSFVSA-N 2 1 466.718 4.842 20 0 JJADMP CC(C)Cc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001359832690 1064516482 /nfs/dbraw/zinc/51/64/82/1064516482.db2.gz NOYWETKCAXENMP-ISJGIBHGSA-N 2 1 458.739 4.688 20 0 JJADMP CC(C)Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001359848717 1064534182 /nfs/dbraw/zinc/53/41/82/1064534182.db2.gz BLCMSKRNSKHNPE-RUZDIDTESA-N 2 1 466.718 4.699 20 0 JJADMP CC(C)Cc1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001359849302 1064535473 /nfs/dbraw/zinc/53/54/73/1064535473.db2.gz IANQGQQUQFWOHF-OAQYLSRUSA-N 2 1 458.720 4.543 20 0 JJADMP CC(C)Cc1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001359849302 1064535487 /nfs/dbraw/zinc/53/54/87/1064535487.db2.gz IANQGQQUQFWOHF-OAQYLSRUSA-N 2 1 458.720 4.543 20 0 JJADMP C[C@H](CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1)[NH+](C)Cc1ccccc1 ZINC001435426178 1064751201 /nfs/dbraw/zinc/75/12/01/1064751201.db2.gz YVMVITCPLUFUNS-DNRSQYFGSA-N 2 1 461.675 4.991 20 0 JJADMP C[C@H](CCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1cccs1)[N@H+](C)Cc1ccccc1 ZINC001435426178 1064751215 /nfs/dbraw/zinc/75/12/15/1064751215.db2.gz YVMVITCPLUFUNS-DNRSQYFGSA-N 2 1 461.675 4.991 20 0 JJADMP C[C@H](CCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1cccs1)[N@@H+](C)Cc1ccccc1 ZINC001435426178 1064751227 /nfs/dbraw/zinc/75/12/27/1064751227.db2.gz YVMVITCPLUFUNS-DNRSQYFGSA-N 2 1 461.675 4.991 20 0 JJADMP CC(C)C[N@H+]1CCC[C@H](Cn2c(N3CC[C@@H]([NH+](C)Cc4ccccc4)C3)nnc2C(C)(C)C)C1 ZINC001360012815 1064811449 /nfs/dbraw/zinc/81/14/49/1064811449.db2.gz WSISUXOTCUTMEC-LOSJGSFVSA-N 2 1 466.718 4.654 20 0 JJADMP CC(C)C[NH+]1CCC[C@H](Cn2c(N3CC[C@@H]([N@H+](C)Cc4ccccc4)C3)nnc2C(C)(C)C)C1 ZINC001360012815 1064811465 /nfs/dbraw/zinc/81/14/65/1064811465.db2.gz WSISUXOTCUTMEC-LOSJGSFVSA-N 2 1 466.718 4.654 20 0 JJADMP CC(C)C[NH+]1CCC[C@H](Cn2c(N3CC[C@@H]([N@@H+](C)Cc4ccccc4)C3)nnc2C(C)(C)C)C1 ZINC001360012815 1064811479 /nfs/dbraw/zinc/81/14/79/1064811479.db2.gz WSISUXOTCUTMEC-LOSJGSFVSA-N 2 1 466.718 4.654 20 0 JJADMP CC(C)C[NH+]1CCN(c2nnc(CC(C)(C)C)n2CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001360028199 1064830303 /nfs/dbraw/zinc/83/03/03/1064830303.db2.gz YRFVRXFXJMWQOR-RSXGOPAZSA-N 2 1 480.745 4.945 20 0 JJADMP CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC[NH+]2CCOCC2)CC1 ZINC001360092554 1064961976 /nfs/dbraw/zinc/96/19/76/1064961976.db2.gz JTSMHZHTZUHPAN-UHFFFAOYSA-N 2 1 496.744 4.522 20 0 JJADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC[NH+]2CCOCC2)CC1 ZINC001360092554 1064961990 /nfs/dbraw/zinc/96/19/90/1064961990.db2.gz JTSMHZHTZUHPAN-UHFFFAOYSA-N 2 1 496.744 4.522 20 0 JJADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2[NH+](C)CCCC2(C)C)CC1 ZINC001360092775 1064963983 /nfs/dbraw/zinc/96/39/83/1064963983.db2.gz SFXFBWNYPFVMKS-DEOSSOPVSA-N 2 1 452.691 4.622 20 0 JJADMP CC(C)[NH+](C)CC1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001360092775 1064963998 /nfs/dbraw/zinc/96/39/98/1064963998.db2.gz SFXFBWNYPFVMKS-DEOSSOPVSA-N 2 1 452.691 4.622 20 0 JJADMP CC(C)[NH+](C)CC1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001360092775 1064964010 /nfs/dbraw/zinc/96/40/10/1064964010.db2.gz SFXFBWNYPFVMKS-DEOSSOPVSA-N 2 1 452.691 4.622 20 0 JJADMP CC(C)[N@@H+](C)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[NH+](C2CCCC2)CC1 ZINC001360097544 1064975711 /nfs/dbraw/zinc/97/57/11/1064975711.db2.gz KKWPHACGYBSYET-UHFFFAOYSA-N 2 1 459.082 4.784 20 0 JJADMP CC(C)[NH+](C)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001360097544 1064975716 /nfs/dbraw/zinc/97/57/16/1064975716.db2.gz KKWPHACGYBSYET-UHFFFAOYSA-N 2 1 459.082 4.784 20 0 JJADMP CC(C)[NH+](C)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001360097544 1064975727 /nfs/dbraw/zinc/97/57/27/1064975727.db2.gz KKWPHACGYBSYET-UHFFFAOYSA-N 2 1 459.082 4.784 20 0 JJADMP CC(C)[N@@H+](C)CCCn1c(N2CCC3(CC[NH+](Cc4ccccc4)C3)CC2)nnc1C(C)(C)C ZINC001360103808 1064984059 /nfs/dbraw/zinc/98/40/59/1064984059.db2.gz YNYXJCDJEGSKEG-UHFFFAOYSA-N 2 1 466.718 4.798 20 0 JJADMP CC(C)[NH+](C)CCCn1c(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)nnc1C(C)(C)C ZINC001360103808 1064984075 /nfs/dbraw/zinc/98/40/75/1064984075.db2.gz YNYXJCDJEGSKEG-UHFFFAOYSA-N 2 1 466.718 4.798 20 0 JJADMP CC(C)[NH+](C)CCCn1c(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)nnc1C(C)(C)C ZINC001360103808 1064984088 /nfs/dbraw/zinc/98/40/88/1064984088.db2.gz YNYXJCDJEGSKEG-UHFFFAOYSA-N 2 1 466.718 4.798 20 0 JJADMP CC(C)[NH+](CCCn1c(CC(C)(C)C)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1)C(C)C ZINC001360126495 1065020223 /nfs/dbraw/zinc/02/02/23/1065020223.db2.gz SRCSGRFZMJJGHD-UHFFFAOYSA-N 2 1 472.697 4.837 20 0 JJADMP CC(C)[NH+](CCn1c(-c2cccc3cccnc32)nnc1N1CCC[N@H+](C(C)(C)C)CC1)C(C)C ZINC001360128926 1065024401 /nfs/dbraw/zinc/02/44/01/1065024401.db2.gz PFUFBRVVKMDDRQ-UHFFFAOYSA-N 2 1 477.701 4.923 20 0 JJADMP CC(C)[NH+](CCn1c(-c2ccccc2F)nnc1N1CC[NH+](Cc2ccsc2)CC1)C(C)C ZINC001360129875 1065025884 /nfs/dbraw/zinc/02/58/84/1065025884.db2.gz XEQQJLGNZCHDPU-UHFFFAOYSA-N 2 1 470.662 4.587 20 0 JJADMP CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001360144240 1065046065 /nfs/dbraw/zinc/04/60/65/1065046065.db2.gz XVJBTHDGCJCZKN-UHFFFAOYSA-N 2 1 477.072 4.923 20 0 JJADMP CC(C)[N@H+]1CCCN(c2nnc(-c3ccccc3Br)n2CCC[NH+]2CCCCC2)CC1 ZINC001360144696 1065046740 /nfs/dbraw/zinc/04/67/40/1065046740.db2.gz SLWNYQTUDABKSD-UHFFFAOYSA-N 2 1 489.506 4.504 20 0 JJADMP CC(C)[N@H+]1CCCN(c2nnc(CCCc3ccccc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001360147449 1065049995 /nfs/dbraw/zinc/04/99/95/1065049995.db2.gz WPUZRBJUONYDPL-MHZLTWQESA-N 2 1 480.745 4.884 20 0 JJADMP C[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC001360598631 1065618885 /nfs/dbraw/zinc/61/88/85/1065618885.db2.gz CHMKUHJGFHMKNO-AOYPEHQESA-N 2 1 480.745 4.947 20 0 JJADMP C[C@H](Cn1c(CC(C)(C)C)nnc1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC001360598632 1065618923 /nfs/dbraw/zinc/61/89/23/1065618923.db2.gz CHMKUHJGFHMKNO-AZGAKELHSA-N 2 1 480.745 4.947 20 0 JJADMP CC(C)[N@H+]1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H]2[NH+](C)CCCC2(C)C)CC1 ZINC001360745895 1065786577 /nfs/dbraw/zinc/78/65/77/1065786577.db2.gz QCSRWVAQVVKJPK-QPPBQGQZSA-N 2 1 486.680 4.598 20 0 JJADMP CC(C)[NH+]1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001360745895 1065786587 /nfs/dbraw/zinc/78/65/87/1065786587.db2.gz QCSRWVAQVVKJPK-QPPBQGQZSA-N 2 1 486.680 4.598 20 0 JJADMP CC(C)[NH+]1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001360745895 1065786598 /nfs/dbraw/zinc/78/65/98/1065786598.db2.gz QCSRWVAQVVKJPK-QPPBQGQZSA-N 2 1 486.680 4.598 20 0 JJADMP CCc1ccc([C@@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)[NH+](C)C)cc1 ZINC001440672058 1065961790 /nfs/dbraw/zinc/96/17/90/1065961790.db2.gz LLFWBRNAAKHASJ-TWJOJJKGSA-N 2 1 461.675 4.945 20 0 JJADMP COc1cccc([C@H](CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)[NH+](C)C)c1 ZINC001440680878 1065964744 /nfs/dbraw/zinc/96/47/44/1065964744.db2.gz YMVAGOHFDLQQAO-OYKXOOMRSA-N 2 1 471.645 4.504 20 0 JJADMP Cc1cccc(O[C@@H](C)c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC[N@@H+](C)C2CCCC2)c1C ZINC001360875053 1066016385 /nfs/dbraw/zinc/01/63/85/1066016385.db2.gz XFEHNXGGUQRUMO-QHCPKHFHSA-N 2 1 482.717 4.876 20 0 JJADMP 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 1066109550 /nfs/dbraw/zinc/10/95/50/1066109550.db2.gz XCESGAXZLOQMJR-PUPFEQFDSA-N 2 1 461.694 4.949 20 0 JJADMP 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 1066241809 /nfs/dbraw/zinc/24/18/09/1066241809.db2.gz SGLHWOKUEPVGAZ-QFIPXVFZSA-N 2 1 459.719 4.794 20 0 JJADMP 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 1066241929 /nfs/dbraw/zinc/24/19/29/1066241929.db2.gz SGLHWOKUEPVGAZ-JOCHJYFZSA-N 2 1 459.719 4.794 20 0 JJADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@]3(C)Cc3ccc(Cl)c(F)c3)CC2)CC1 ZINC001454791301 1066334007 /nfs/dbraw/zinc/33/40/07/1066334007.db2.gz PRYGBVSHGNONSB-VWLOTQADSA-N 2 1 450.042 4.599 20 0 JJADMP CC[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C)[NH+]1CCCC1 ZINC001545964221 1066403308 /nfs/dbraw/zinc/40/33/08/1066403308.db2.gz ABOFRHNDMFJTTD-NLWGTHIKSA-N 2 1 463.045 4.531 20 0 JJADMP CC[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C)[NH+]1CCCC1 ZINC001545964223 1066403457 /nfs/dbraw/zinc/40/34/57/1066403457.db2.gz ABOFRHNDMFJTTD-WSTZPKSXSA-N 2 1 463.045 4.531 20 0 JJADMP Cc1ccc(C)c(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)c1 ZINC001361158651 1066462029 /nfs/dbraw/zinc/46/20/29/1066462029.db2.gz DVGVWBBMNJDXDW-ZCYQVOJMSA-N 2 1 482.717 4.515 20 0 JJADMP Cc1ccc(C)c(OCc2nnc(N3CCC[NH+](C(C)C)CC3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001361158651 1066462034 /nfs/dbraw/zinc/46/20/34/1066462034.db2.gz DVGVWBBMNJDXDW-ZCYQVOJMSA-N 2 1 482.717 4.515 20 0 JJADMP Cc1ccc(C)c(OCc2nnc(N3CCC[NH+](C(C)C)CC3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001361158651 1066462043 /nfs/dbraw/zinc/46/20/43/1066462043.db2.gz DVGVWBBMNJDXDW-ZCYQVOJMSA-N 2 1 482.717 4.515 20 0 JJADMP C[NH+](C)CCCOc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)cc1 ZINC001456171339 1066528041 /nfs/dbraw/zinc/52/80/41/1066528041.db2.gz RNBJVPNBSMXBAQ-JWQCQUIFSA-N 2 1 463.647 4.933 20 0 JJADMP Cc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC[C@@H](C)[NH+](C)Cc2ccccc2)o1 ZINC001361218177 1066553885 /nfs/dbraw/zinc/55/38/85/1066553885.db2.gz OLSXUOGUARQMJJ-JOCHJYFZSA-N 2 1 464.658 4.678 20 0 JJADMP Cc1ccc(-c2nnc(N3CCC[NH+](C(C)C)CC3)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC001361218177 1066553896 /nfs/dbraw/zinc/55/38/96/1066553896.db2.gz OLSXUOGUARQMJJ-JOCHJYFZSA-N 2 1 464.658 4.678 20 0 JJADMP Cc1ccc(-c2nnc(N3CCC[NH+](C(C)C)CC3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC001361218177 1066553910 /nfs/dbraw/zinc/55/39/10/1066553910.db2.gz OLSXUOGUARQMJJ-JOCHJYFZSA-N 2 1 464.658 4.678 20 0 JJADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCSCc3ccc(Cl)cc3Cl)CC2)CC1 ZINC001446877213 1066751847 /nfs/dbraw/zinc/75/18/47/1066751847.db2.gz BKWANFZAOYPCOP-UHFFFAOYSA-N 2 1 458.499 4.539 20 0 JJADMP CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC001545994732 1066795551 /nfs/dbraw/zinc/79/55/51/1066795551.db2.gz FFDLDYZSZWJALE-ILBGXUMGSA-N 2 1 466.718 4.842 20 0 JJADMP C[C@@H]1C[C@@H](NC(=O)[C@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001457241315 1066797020 /nfs/dbraw/zinc/79/70/20/1066797020.db2.gz UQSKOFDCIZPBIX-PBXXJUDPSA-N 2 1 459.556 4.610 20 0 JJADMP C[C@@H]1C[C@@H](NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001457241315 1066797027 /nfs/dbraw/zinc/79/70/27/1066797027.db2.gz UQSKOFDCIZPBIX-PBXXJUDPSA-N 2 1 459.556 4.610 20 0 JJADMP C[C@@H]1C[C@@H](NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001457241315 1066797036 /nfs/dbraw/zinc/79/70/36/1066797036.db2.gz UQSKOFDCIZPBIX-PBXXJUDPSA-N 2 1 459.556 4.610 20 0 JJADMP CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@H](C[NH+](CC)CC)C1)[N@H+]1CCc2ccccc2C1 ZINC001545994816 1066797016 /nfs/dbraw/zinc/79/70/16/1066797016.db2.gz GUBPNMRSDCZJTC-BVAGGSTKSA-N 2 1 480.745 4.872 20 0 JJADMP CC[C@H](Cn1c(CC(C)C)nnc1N1CCC([NH+](CC)CC)CC1)[N@H+]1CCc2ccccc2C1 ZINC001545995430 1066805877 /nfs/dbraw/zinc/80/58/77/1066805877.db2.gz SBYQNJWMOCZIQH-RUZDIDTESA-N 2 1 466.718 4.624 20 0 JJADMP Cc1[nH+]ccn1CCCn1c(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nnc1C(C)(C)C ZINC001492709891 1066874571 /nfs/dbraw/zinc/87/45/71/1066874571.db2.gz XBLWLXBFGARIGJ-QPPBQGQZSA-N 2 1 463.674 4.660 20 0 JJADMP Cc1[nH+]ccn1CCCn1c(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nnc1C(C)(C)C ZINC001492709891 1066874574 /nfs/dbraw/zinc/87/45/74/1066874574.db2.gz XBLWLXBFGARIGJ-QPPBQGQZSA-N 2 1 463.674 4.660 20 0 JJADMP CCc1ccc([C@@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)[NH+](CC)CC)cc1 ZINC001450482478 1067084667 /nfs/dbraw/zinc/08/46/67/1067084667.db2.gz LJQXDHJMAVEFML-LOSJGSFVSA-N 2 1 457.609 4.906 20 0 JJADMP CCc1ccc([C@@H](CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)[NH+](CC)CC)cc1 ZINC001450482469 1067084839 /nfs/dbraw/zinc/08/48/39/1067084839.db2.gz LJQXDHJMAVEFML-JWQCQUIFSA-N 2 1 457.609 4.906 20 0 JJADMP CCC(CC)[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)[NH+](C)C ZINC001545804779 1067116185 /nfs/dbraw/zinc/11/61/85/1067116185.db2.gz BHKRYHRQWYMZKL-XRODADMRSA-N 2 1 486.680 4.598 20 0 JJADMP CCC(CC)[C@H](Cn1c(Cc2ccsc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)[NH+](C)C ZINC001545819844 1067156185 /nfs/dbraw/zinc/15/61/85/1067156185.db2.gz NEZZBCBFYFKASY-QFIPXVFZSA-N 2 1 460.736 4.607 20 0 JJADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001459609471 1067362674 /nfs/dbraw/zinc/36/26/74/1067362674.db2.gz MPQQSNBQSWICFK-JPYJTQIMSA-N 2 1 451.438 4.734 20 0 JJADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001459609471 1067362682 /nfs/dbraw/zinc/36/26/82/1067362682.db2.gz MPQQSNBQSWICFK-JPYJTQIMSA-N 2 1 451.438 4.734 20 0 JJADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001459609471 1067362691 /nfs/dbraw/zinc/36/26/91/1067362691.db2.gz MPQQSNBQSWICFK-JPYJTQIMSA-N 2 1 451.438 4.734 20 0 JJADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001459668471 1067377758 /nfs/dbraw/zinc/37/77/58/1067377758.db2.gz HFUBJRNMRLICNO-NZQKXSOJSA-N 2 1 451.659 4.793 20 0 JJADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001459668471 1067377770 /nfs/dbraw/zinc/37/77/70/1067377770.db2.gz HFUBJRNMRLICNO-NZQKXSOJSA-N 2 1 451.659 4.793 20 0 JJADMP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001460172252 1067569532 /nfs/dbraw/zinc/56/95/32/1067569532.db2.gz PMTDIVCHCFWFQQ-LJQANCHMSA-N 2 1 456.428 4.764 20 0 JJADMP CSc1ccc(OC[C@@H](O)C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001460538442 1067653289 /nfs/dbraw/zinc/65/32/89/1067653289.db2.gz CLAVRXOWCYNORN-JYFHCDHNSA-N 2 1 454.680 4.771 20 0 JJADMP Cc1ccc(-c2cc(NC(=O)C[N@H+](C)CCCC[NH+]3CCCCC3)n(-c3ccccc3)n2)cc1 ZINC001460694066 1067703334 /nfs/dbraw/zinc/70/33/34/1067703334.db2.gz UFUFTYSYUOYNMN-UHFFFAOYSA-N 2 1 459.638 4.984 20 0 JJADMP Cc1ccc(-c2cc(NC(=O)C[N@@H+](C)CCCC[NH+]3CCCCC3)n(-c3ccccc3)n2)cc1 ZINC001460694066 1067703344 /nfs/dbraw/zinc/70/33/44/1067703344.db2.gz UFUFTYSYUOYNMN-UHFFFAOYSA-N 2 1 459.638 4.984 20 0 JJADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cccc(OCc3ccc(F)cc3F)c2)c2cccs2)CC1 ZINC001461003480 1067761070 /nfs/dbraw/zinc/76/10/70/1067761070.db2.gz OVBUMAAEUJIFHX-XMMPIXPASA-N 2 1 457.590 4.684 20 0 JJADMP CCS(=O)(=O)c1c(Cl)cccc1CNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC001461298276 1067821633 /nfs/dbraw/zinc/82/16/33/1067821633.db2.gz YNSODPOJXIECMK-UHFFFAOYSA-N 2 1 450.048 4.524 20 0 JJADMP CC(C)(C)OC(=O)N1C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)Cc2ccccc21 ZINC001461617485 1067902627 /nfs/dbraw/zinc/90/26/27/1067902627.db2.gz PITWAFDIMOZZGD-XMMPIXPASA-N 2 1 453.602 4.789 20 0 JJADMP CCCC1(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CCN(C(=O)OC(C)(C)C)CC1 ZINC001461993877 1067976607 /nfs/dbraw/zinc/97/66/07/1067976607.db2.gz FBSGODWFIDTMLW-DEOSSOPVSA-N 2 1 459.675 4.550 20 0 JJADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3c(Br)cc(F)c(F)c3N3CCCCC3)C[C@H]2C1 ZINC001462655426 1068125881 /nfs/dbraw/zinc/12/58/81/1068125881.db2.gz QZZAKZDROCYQFS-GVDBMIGSSA-N 2 1 456.419 4.880 20 0 JJADMP Cc1ccc([C@@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)[NH+](C)C)cc1 ZINC001464548078 1068778514 /nfs/dbraw/zinc/77/85/14/1068778514.db2.gz VMFRBTHDPTWESB-ZGIBFIJWSA-N 2 1 455.646 4.938 20 0 JJADMP FC(F)(F)[C@@H]1N(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)CCC12CC[NH2+]CC2 ZINC001164389456 718815055 /nfs/dbraw/zinc/81/50/55/718815055.db2.gz WKBCJEUSZPRNMT-JOCHJYFZSA-N 2 1 479.616 4.677 20 0 JJADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)n1 ZINC001164387896 718815401 /nfs/dbraw/zinc/81/54/01/718815401.db2.gz JNMXCBVZFRPWEC-HXUWFJFHSA-N 2 1 455.594 4.661 20 0 JJADMP c1csc(-c2csc3nc(C[NH+]4CCCCC4)nc(N4CCC(C5C[NH2+]C5)CC4)c23)c1 ZINC001164615189 719036939 /nfs/dbraw/zinc/03/69/39/719036939.db2.gz LFNHXYWYQFEDCP-UHFFFAOYSA-N 2 1 453.681 4.842 20 0 JJADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)c2c1C ZINC001164621947 719047822 /nfs/dbraw/zinc/04/78/22/719047822.db2.gz KJLJXEGSQWBQNR-AJTFRIOCSA-N 2 1 461.679 4.878 20 0 JJADMP [NH3+]C1([C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4scc(-c5cccs5)c43)C[C@@H]2CF)CC1 ZINC001164621071 719122830 /nfs/dbraw/zinc/12/28/30/719122830.db2.gz KJLPPNBCKCTLQD-FUHWJXTLSA-N 2 1 471.671 4.919 20 0 JJADMP Cc1sc2nc(-c3cccs3)nc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c2c1C ZINC001164679520 719639041 /nfs/dbraw/zinc/63/90/41/719639041.db2.gz DZMIVEAFXBFJDR-UHFFFAOYSA-N 2 1 452.653 4.708 20 0 JJADMP Cc1sc2nc(-c3cccs3)nc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c2c1C ZINC001164679520 719639045 /nfs/dbraw/zinc/63/90/45/719639045.db2.gz DZMIVEAFXBFJDR-UHFFFAOYSA-N 2 1 452.653 4.708 20 0 JJADMP COc1cc(Oc2cc[nH+]c(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)c2)ccc1OCc1ccccc1 ZINC001164735131 720520759 /nfs/dbraw/zinc/52/07/59/720520759.db2.gz UOTJJSLSPWQKCO-HSZRJFAPSA-N 2 1 499.615 4.856 20 0 JJADMP c1cn(C2CCCC2)c2nc[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164757443 720893409 /nfs/dbraw/zinc/89/34/09/720893409.db2.gz USUYSICRRVVRTL-FUFSCUOVSA-N 2 1 486.664 4.697 20 0 JJADMP c1cn(C2CCCC2)c2nc[nH+]c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164757443 720893410 /nfs/dbraw/zinc/89/34/10/720893410.db2.gz USUYSICRRVVRTL-FUFSCUOVSA-N 2 1 486.664 4.697 20 0 JJADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)C[NH+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164747898 720930502 /nfs/dbraw/zinc/93/05/02/720930502.db2.gz DQNSWQPSAQYXNJ-LXQNXJGFSA-N 2 1 489.708 4.779 20 0 JJADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164747898 720930506 /nfs/dbraw/zinc/93/05/06/720930506.db2.gz DQNSWQPSAQYXNJ-LXQNXJGFSA-N 2 1 489.708 4.779 20 0 JJADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164747898 720930516 /nfs/dbraw/zinc/93/05/16/720930516.db2.gz DQNSWQPSAQYXNJ-LXQNXJGFSA-N 2 1 489.708 4.779 20 0 JJADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164859680 721003167 /nfs/dbraw/zinc/00/31/67/721003167.db2.gz LFEXYEDUDFNPNM-GOSISDBHSA-N 2 1 469.703 4.768 20 0 JJADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164859680 721003177 /nfs/dbraw/zinc/00/31/77/721003177.db2.gz LFEXYEDUDFNPNM-GOSISDBHSA-N 2 1 469.703 4.768 20 0 JJADMP Cc1cccc(N(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164777413 721329426 /nfs/dbraw/zinc/32/94/26/721329426.db2.gz MZTLFIAWPOVMNI-WNJJXGMVSA-N 2 1 454.618 4.607 20 0 JJADMP Fc1ccc(Cn2ccc3c2nc[nH+]c3N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc1 ZINC001164904975 721709808 /nfs/dbraw/zinc/70/98/08/721709808.db2.gz GDKLWQIDHACTJG-SANMLTNESA-N 2 1 492.549 4.751 20 0 JJADMP Fc1ccc(Cn2ccc3c2nc[nH+]c3N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc1 ZINC001164904975 721709813 /nfs/dbraw/zinc/70/98/13/721709813.db2.gz GDKLWQIDHACTJG-SANMLTNESA-N 2 1 492.549 4.751 20 0 JJADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3[nH+]cnc4c3ccn4Cc3ccc(F)cc3)C[C@H]21 ZINC001165029009 721815048 /nfs/dbraw/zinc/81/50/48/721815048.db2.gz YPHSXYUJYIJSLO-RMUDUWAUSA-N 2 1 470.596 4.751 20 0 JJADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3[nH+]cnc4c3ccn4Cc3ccc(F)cc3)C[C@H]21 ZINC001165029009 721815050 /nfs/dbraw/zinc/81/50/50/721815050.db2.gz YPHSXYUJYIJSLO-RMUDUWAUSA-N 2 1 470.596 4.751 20 0 JJADMP CC(C)C[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[N@H+](C2CCCC2)CC1)[NH+](C)C ZINC001359770281 1064402036 /nfs/dbraw/zinc/40/20/36/1064402036.db2.gz CGVQIWIWEWCBQT-RUZDIDTESA-N 2 1 487.136 4.953 20 0 JJADMP CC(C)Cc1nnc(N2CC[C@@H](C)[NH+](Cc3ccccc3)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001359802802 1064471614 /nfs/dbraw/zinc/47/16/14/1064471614.db2.gz WGIYDUGOFIGUDO-NOZRDPDXSA-N 2 1 466.718 4.698 20 0 JJADMP CC(C)Cc1nnc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)n1C[C@@H]1[NH+](C)CCCC1(C)C ZINC001359802802 1064471630 /nfs/dbraw/zinc/47/16/30/1064471630.db2.gz WGIYDUGOFIGUDO-NOZRDPDXSA-N 2 1 466.718 4.698 20 0 JJADMP CC(C)Cc1nnc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1C[C@@H]1[NH+](C)CCCC1(C)C ZINC001359802802 1064471650 /nfs/dbraw/zinc/47/16/50/1064471650.db2.gz WGIYDUGOFIGUDO-NOZRDPDXSA-N 2 1 466.718 4.698 20 0 JJADMP CC(C)Cc1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001359833352 1064518613 /nfs/dbraw/zinc/51/86/13/1064518613.db2.gz WSBBHJYABOQACK-ZEQRLZLVSA-N 2 1 458.739 4.545 20 0 JJADMP CC(C)Cc1nnc(N2CC[NH+](Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001359861318 1064550641 /nfs/dbraw/zinc/55/06/41/1064550641.db2.gz RCFBIMVGLYNSFV-RSXGOPAZSA-N 2 1 466.718 4.555 20 0 JJADMP CC(C)Cc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCC[NH+](CC(C)C)C1 ZINC001359861318 1064550659 /nfs/dbraw/zinc/55/06/59/1064550659.db2.gz RCFBIMVGLYNSFV-RSXGOPAZSA-N 2 1 466.718 4.555 20 0 JJADMP CC(C)Cc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCC[NH+](CC(C)C)C1 ZINC001359861318 1064550672 /nfs/dbraw/zinc/55/06/72/1064550672.db2.gz RCFBIMVGLYNSFV-RSXGOPAZSA-N 2 1 466.718 4.555 20 0 JJADMP CC(C)Cc1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001359861278 1064551293 /nfs/dbraw/zinc/55/12/93/1064551293.db2.gz QCOHCYIVEIXDLY-JOCHJYFZSA-N 2 1 458.720 4.515 20 0 JJADMP CC(C)Cc1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001359861278 1064551306 /nfs/dbraw/zinc/55/13/06/1064551306.db2.gz QCOHCYIVEIXDLY-JOCHJYFZSA-N 2 1 458.720 4.515 20 0 JJADMP CC(C)C[NH+]1CCN(c2nnc(CC(C)(C)C)n2CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001360028198 1064830213 /nfs/dbraw/zinc/83/02/13/1064830213.db2.gz YRFVRXFXJMWQOR-AZGAKELHSA-N 2 1 480.745 4.945 20 0 JJADMP CC(C)C[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001360030531 1064832606 /nfs/dbraw/zinc/83/26/06/1064832606.db2.gz LHHICZYCJZBXQD-JOCHJYFZSA-N 2 1 488.671 4.580 20 0 JJADMP CC(C)[N@@H+](C)Cc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001360091628 1064959225 /nfs/dbraw/zinc/95/92/25/1064959225.db2.gz ALPVKKSHZYRQCS-UHFFFAOYSA-N 2 1 475.685 4.539 20 0 JJADMP CC(C)[NH+](C)Cc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001360091628 1064959238 /nfs/dbraw/zinc/95/92/38/1064959238.db2.gz ALPVKKSHZYRQCS-UHFFFAOYSA-N 2 1 475.685 4.539 20 0 JJADMP CC(C)[NH+](C)Cc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001360091628 1064959250 /nfs/dbraw/zinc/95/92/50/1064959250.db2.gz ALPVKKSHZYRQCS-UHFFFAOYSA-N 2 1 475.685 4.539 20 0 JJADMP CC(C)[N@@H+](C)Cc1ccccc1Cn1c(N2CC[NH+](C3CCCCC3)CC2)nnc1C(C)(C)C ZINC001360092843 1064963716 /nfs/dbraw/zinc/96/37/16/1064963716.db2.gz UYSGJJQQTZRAEX-UHFFFAOYSA-N 2 1 466.718 4.919 20 0 JJADMP CC(C)[N@@H+](C)Cc1ccccc1Cn1c(N2CC[C@@H]([NH+]3CCCCC3)C2)nnc1C(C)(C)C ZINC001360092836 1064963861 /nfs/dbraw/zinc/96/38/61/1064963861.db2.gz UTYDMWQYYPTXEI-XMMPIXPASA-N 2 1 452.691 4.529 20 0 JJADMP CC(C)[N@@H+](C)Cc1ccccc1Cn1c(N2CC[C@H]([NH+]3CCCCC3)C2)nnc1C(C)(C)C ZINC001360092835 1064964042 /nfs/dbraw/zinc/96/40/42/1064964042.db2.gz UTYDMWQYYPTXEI-DEOSSOPVSA-N 2 1 452.691 4.529 20 0 JJADMP CC(C)[N@@H+](C)CCCn1c([C@@H]2CCCCO2)nnc1N1CCC(CC[NH+]2CCCC[C@H]2C)CC1 ZINC001360100079 1064979472 /nfs/dbraw/zinc/97/94/72/1064979472.db2.gz GOZSSVNDDBBZCO-NOZRDPDXSA-N 2 1 474.738 4.731 20 0 JJADMP CC(C)[NH+](C)CCCn1c([C@@H]2CCCCO2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001360100079 1064979485 /nfs/dbraw/zinc/97/94/85/1064979485.db2.gz GOZSSVNDDBBZCO-NOZRDPDXSA-N 2 1 474.738 4.731 20 0 JJADMP CC(C)[NH+](C)CCCn1c([C@@H]2CCCCO2)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001360100079 1064979493 /nfs/dbraw/zinc/97/94/93/1064979493.db2.gz GOZSSVNDDBBZCO-NOZRDPDXSA-N 2 1 474.738 4.731 20 0 JJADMP CC(C)[N@@H+](C)CCCn1c(Cc2ccsc2)nnc1N1CC[C@H](C)[NH+](Cc2ccccc2)CC1 ZINC001360101494 1064981469 /nfs/dbraw/zinc/98/14/69/1064981469.db2.gz QQKZGXGZBNFFMQ-QHCPKHFHSA-N 2 1 480.726 4.762 20 0 JJADMP CC(C)[NH+](C)CCCn1c(Cc2ccsc2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001360101494 1064981484 /nfs/dbraw/zinc/98/14/84/1064981484.db2.gz QQKZGXGZBNFFMQ-QHCPKHFHSA-N 2 1 480.726 4.762 20 0 JJADMP CC(C)[NH+](C)CCCn1c(Cc2ccsc2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001360101494 1064981495 /nfs/dbraw/zinc/98/14/95/1064981495.db2.gz QQKZGXGZBNFFMQ-QHCPKHFHSA-N 2 1 480.726 4.762 20 0 JJADMP CC(C)[N@H+]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001360143505 1065044071 /nfs/dbraw/zinc/04/40/71/1065044071.db2.gz HXHGKIOQVMREOM-UHFFFAOYSA-N 2 1 459.082 4.784 20 0 JJADMP CC(C)[N@H+]1CCCN(c2nnc(-c3ccccc3Cl)n2CCCCC[NH+]2CCCC2)CC1 ZINC001360144488 1065046260 /nfs/dbraw/zinc/04/62/60/1065046260.db2.gz KKOVONUNQHEVNI-UHFFFAOYSA-N 2 1 459.082 4.785 20 0 JJADMP CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001360305661 1065141213 /nfs/dbraw/zinc/14/12/13/1065141213.db2.gz ZDOOQGFPKQBGIG-UHFFFAOYSA-N 2 1 463.045 4.579 20 0 JJADMP CC(C)[NH2+]C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001360306502 1065142063 /nfs/dbraw/zinc/14/20/63/1065142063.db2.gz FIKXAJCPISLZMN-QFIPXVFZSA-N 2 1 459.082 4.686 20 0 JJADMP CC(C)[NH2+]C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001360308958 1065144595 /nfs/dbraw/zinc/14/45/95/1065144595.db2.gz PINGZDHPZGXHCG-OAQYLSRUSA-N 2 1 488.671 4.769 20 0 JJADMP CCC[N@H+](C)[C@H](CNC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)c1ccc(Cl)cc1 ZINC001436197601 1065245414 /nfs/dbraw/zinc/24/54/14/1065245414.db2.gz KKLAFHWXFYJMFM-ZYLNGJIFSA-N 2 1 458.046 4.762 20 0 JJADMP CCC[N@@H+](C)[C@H](CNC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)c1ccc(Cl)cc1 ZINC001436197601 1065245421 /nfs/dbraw/zinc/24/54/21/1065245421.db2.gz KKLAFHWXFYJMFM-ZYLNGJIFSA-N 2 1 458.046 4.762 20 0 JJADMP C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc(CC(C)(C)C)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001360468146 1065383936 /nfs/dbraw/zinc/38/39/36/1065383936.db2.gz YWCWFMFAUPWVLG-NRFANRHFSA-N 2 1 472.747 4.933 20 0 JJADMP C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc(CC(C)(C)C)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001360468146 1065383948 /nfs/dbraw/zinc/38/39/48/1065383948.db2.gz YWCWFMFAUPWVLG-NRFANRHFSA-N 2 1 472.747 4.933 20 0 JJADMP C[C@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[N@H+](C(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001360514456 1065466839 /nfs/dbraw/zinc/46/68/39/1065466839.db2.gz UJQAHSNBHVRJJJ-WXFUMESZSA-N 2 1 488.765 4.772 20 0 JJADMP C[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001360583909 1065583002 /nfs/dbraw/zinc/58/30/02/1065583002.db2.gz NCLPPEQVBDRGJT-NRFANRHFSA-N 2 1 482.717 4.558 20 0 JJADMP C[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[N@H+](C(C)(C)C)CC1)C[NH+]1CCCC1 ZINC001360592598 1065601633 /nfs/dbraw/zinc/60/16/33/1065601633.db2.gz YORYFIGTYJSXDU-VXKWHMMOSA-N 2 1 486.680 4.600 20 0 JJADMP C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)C[NH+]1CCCC1 ZINC001360592830 1065601834 /nfs/dbraw/zinc/60/18/34/1065601834.db2.gz ACUFVVURBNYWHL-SMIHKQSGSA-N 2 1 458.739 4.689 20 0 JJADMP C[C@H](Cn1c(CC(C)(C)C)nnc1N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC001360598627 1065619031 /nfs/dbraw/zinc/61/90/31/1065619031.db2.gz CHMKUHJGFHMKNO-AHWVRZQESA-N 2 1 480.745 4.947 20 0 JJADMP C[C@@H](Cn1c(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)nnc1C(C)(C)C)C[NH+]1CCCCC1 ZINC001360603648 1065628759 /nfs/dbraw/zinc/62/87/59/1065628759.db2.gz WHUKVTUOWWTLFG-DNQXCXABSA-N 2 1 466.718 4.798 20 0 JJADMP CC(C)[N@@H+](C)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001360761103 1065836289 /nfs/dbraw/zinc/83/62/89/1065836289.db2.gz YXKSLEUZDAKKMY-OAQYLSRUSA-N 2 1 489.108 4.866 20 0 JJADMP CC(C)[NH+](CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[N@H+](C(C)(C)C)CC1)C(C)C ZINC001360773211 1065870857 /nfs/dbraw/zinc/87/08/57/1065870857.db2.gz HUYQPFISZDCDIB-QFIPXVFZSA-N 2 1 488.696 4.987 20 0 JJADMP COc1cccc([C@@H](CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)[NH+](C)C)c1 ZINC001440680871 1065965034 /nfs/dbraw/zinc/96/50/34/1065965034.db2.gz YMVAGOHFDLQQAO-MUPNOLHXSA-N 2 1 471.645 4.504 20 0 JJADMP 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 1066109563 /nfs/dbraw/zinc/10/95/63/1066109563.db2.gz XCESGAXZLOQMJR-QIMYFBEYSA-N 2 1 461.694 4.949 20 0 JJADMP 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 ZINC001442262597 1066109565 /nfs/dbraw/zinc/10/95/65/1066109565.db2.gz XCESGAXZLOQMJR-QIMYFBEYSA-N 2 1 461.694 4.949 20 0 JJADMP 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 ZINC001442262597 1066109573 /nfs/dbraw/zinc/10/95/73/1066109573.db2.gz XCESGAXZLOQMJR-QIMYFBEYSA-N 2 1 461.694 4.949 20 0 JJADMP CC[C@@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)[NH+]1CCCC1 ZINC001545951709 1066157839 /nfs/dbraw/zinc/15/78/39/1066157839.db2.gz BJSNNHBFULYKAB-GMAHTHKFSA-N 2 1 486.680 4.742 20 0 JJADMP Cc1cc(C)cc(OCc2nnc(N3CC[NH+](C4CCC(C)CC4)CC3)n2CCC[N@H+](C)C(C)C)c1 ZINC001361036119 1066255083 /nfs/dbraw/zinc/25/50/83/1066255083.db2.gz ZJTVWIYHKPVSMF-UHFFFAOYSA-N 2 1 496.744 4.905 20 0 JJADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@]3(C)Cc3ccc(Cl)c(F)c3)CC2)CC1 ZINC001454791283 1066334129 /nfs/dbraw/zinc/33/41/29/1066334129.db2.gz PRYGBVSHGNONSB-RUZDIDTESA-N 2 1 450.042 4.599 20 0 JJADMP Cc1ccc([C@@H](Cn2c(N3CCC[N@H+](C(C)C)CC3)nnc2C(C)(C)C)[NH+]2CCCC2)cc1 ZINC001361142034 1066422607 /nfs/dbraw/zinc/42/26/07/1066422607.db2.gz TXKYFUBVFKJWGI-XMMPIXPASA-N 2 1 452.691 4.642 20 0 JJADMP Cc1ccc(C)c(OCc2nnc(N3CC[NH+](CC4CCCCC4)CC3)n2CC[N@H+](C)C(C)C)c1 ZINC001361160041 1066466474 /nfs/dbraw/zinc/46/64/74/1066466474.db2.gz SDEPPIJBVYIYGO-UHFFFAOYSA-N 2 1 482.717 4.516 20 0 JJADMP Cc1ccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CC[NH+]2CCCC(C)(C)C2)o1 ZINC001361205886 1066537957 /nfs/dbraw/zinc/53/79/57/1066537957.db2.gz WOYQATXOOAVWDU-UHFFFAOYSA-N 2 1 456.679 4.525 20 0 JJADMP Cc1ccc(-c2nnc(N3CCC(C[NH+](C)C(C)C)CC3)n2CC[N@@H+]2CCCC(C)(C)C2)o1 ZINC001361205886 1066537966 /nfs/dbraw/zinc/53/79/66/1066537966.db2.gz WOYQATXOOAVWDU-UHFFFAOYSA-N 2 1 456.679 4.525 20 0 JJADMP Cc1ccc(-c2nnc(N3CCC(C[NH+](C)C(C)C)CC3)n2CC[N@H+]2CCCC(C)(C)C2)o1 ZINC001361205886 1066537974 /nfs/dbraw/zinc/53/79/74/1066537974.db2.gz WOYQATXOOAVWDU-UHFFFAOYSA-N 2 1 456.679 4.525 20 0 JJADMP Cc1ccc(-c2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CCCC[N@@H+]2CCCC[C@H]2C)o1 ZINC001361218505 1066555089 /nfs/dbraw/zinc/55/50/89/1066555089.db2.gz SNDIBMPAZLYAKB-OAQYLSRUSA-N 2 1 456.679 4.812 20 0 JJADMP Cc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCCC[NH+]2CCCC[C@H]2C)o1 ZINC001361218505 1066555102 /nfs/dbraw/zinc/55/51/02/1066555102.db2.gz SNDIBMPAZLYAKB-OAQYLSRUSA-N 2 1 456.679 4.812 20 0 JJADMP Cc1ccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCCC[NH+]2CCCC[C@H]2C)o1 ZINC001361218505 1066555113 /nfs/dbraw/zinc/55/51/13/1066555113.db2.gz SNDIBMPAZLYAKB-OAQYLSRUSA-N 2 1 456.679 4.812 20 0 JJADMP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CC(C)C ZINC001361253366 1066601023 /nfs/dbraw/zinc/60/10/23/1066601023.db2.gz SMSGWXTUKUASDC-AOYPEHQESA-N 2 1 478.681 4.570 20 0 JJADMP CC[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)[NH+]1CCCC1 ZINC001545997130 1066819646 /nfs/dbraw/zinc/81/96/46/1066819646.db2.gz KDFRDPDZPFOCEY-QHCPKHFHSA-N 2 1 473.109 4.707 20 0 JJADMP CC[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)[NH+]1CCCC1 ZINC001545997129 1066819658 /nfs/dbraw/zinc/81/96/58/1066819658.db2.gz KDFRDPDZPFOCEY-HSZRJFAPSA-N 2 1 473.109 4.707 20 0 JJADMP Cc1[nH+]ccn1-c1ccc(Cn2c(C(C)C)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)cc1F ZINC001492704361 1066863192 /nfs/dbraw/zinc/86/31/92/1066863192.db2.gz ZWMGCBAAPZRMKC-UHFFFAOYSA-N 2 1 467.637 4.640 20 0 JJADMP Cc1[nH+]ccn1-c1ccc(Cn2c(C(C)C)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)cc1F ZINC001492704361 1066863198 /nfs/dbraw/zinc/86/31/98/1066863198.db2.gz ZWMGCBAAPZRMKC-UHFFFAOYSA-N 2 1 467.637 4.640 20 0 JJADMP Cc1[nH+]ccn1-c1ccc(Cn2c(N3CC[NH+](CCC(C)(C)C)CC3)nnc2C(C)(C)C)cc1F ZINC001492705480 1066865430 /nfs/dbraw/zinc/86/54/30/1066865430.db2.gz HHTJPRHSXLBMPB-UHFFFAOYSA-N 2 1 481.664 4.815 20 0 JJADMP Cc1[nH+]ccn1CCCn1c(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nnc1C(C)(C)C ZINC001492709894 1066874405 /nfs/dbraw/zinc/87/44/05/1066874405.db2.gz XBLWLXBFGARIGJ-ZJSXRUAMSA-N 2 1 463.674 4.660 20 0 JJADMP Cc1[nH+]ccn1CCCn1c(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nnc1C(C)(C)C ZINC001492709894 1066874410 /nfs/dbraw/zinc/87/44/10/1066874410.db2.gz XBLWLXBFGARIGJ-ZJSXRUAMSA-N 2 1 463.674 4.660 20 0 JJADMP Cc1[nH+]ccn1CCn1c(CC(C)(C)C)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001492710835 1066876839 /nfs/dbraw/zinc/87/68/39/1066876839.db2.gz DCQOYJGIEBOYFT-ZJSXRUAMSA-N 2 1 463.674 4.561 20 0 JJADMP Cc1[nH+]ccn1CCn1c(CC(C)(C)C)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001492710835 1066876847 /nfs/dbraw/zinc/87/68/47/1066876847.db2.gz DCQOYJGIEBOYFT-ZJSXRUAMSA-N 2 1 463.674 4.561 20 0 JJADMP Cc1[nH+]ccn1CCn1c(CC(C)(C)C)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001492710833 1066876947 /nfs/dbraw/zinc/87/69/47/1066876947.db2.gz DCQOYJGIEBOYFT-URXFXBBRSA-N 2 1 463.674 4.561 20 0 JJADMP Cc1[nH+]ccn1CCn1c(CC(C)(C)C)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001492710833 1066876953 /nfs/dbraw/zinc/87/69/53/1066876953.db2.gz DCQOYJGIEBOYFT-URXFXBBRSA-N 2 1 463.674 4.561 20 0 JJADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cccc(C(F)(F)F)c1 ZINC001448059205 1066894697 /nfs/dbraw/zinc/89/46/97/1066894697.db2.gz BZFZQDAEIYVSHB-XZOQPEGZSA-N 2 1 459.556 4.727 20 0 JJADMP Cc1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001492805130 1066954415 /nfs/dbraw/zinc/95/44/15/1066954415.db2.gz ZVQHAHANNDWRAU-NBGIEHNGSA-N 2 1 456.654 4.509 20 0 JJADMP CC[C@@H](c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)n1CC(C)(C)[NH+]1CCC(OC)CC1)c1ccccc1 ZINC001545730632 1066988504 /nfs/dbraw/zinc/98/85/04/1066988504.db2.gz CUTATAQXPVNIKJ-JQYIIUTOSA-N 2 1 496.744 4.628 20 0 JJADMP 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 1066993533 /nfs/dbraw/zinc/99/35/33/1066993533.db2.gz ZMMNUMNKHMKQMW-ZCAIMPEWSA-N 2 1 454.707 4.715 20 0 JJADMP CC[C@@H](c1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC001545751278 1067022996 /nfs/dbraw/zinc/02/29/96/1067022996.db2.gz BQZJPHWZGWMFFF-RPBOFIJWSA-N 2 1 466.718 4.861 20 0 JJADMP CC[C@@H](c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@@H]1[NH+](C)CCCC1(C)C)c1ccccc1 ZINC001545751278 1067023007 /nfs/dbraw/zinc/02/30/07/1067023007.db2.gz BQZJPHWZGWMFFF-RPBOFIJWSA-N 2 1 466.718 4.861 20 0 JJADMP CC[C@@H](c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@H]1[NH+](C)CCCC1(C)C)c1ccccc1 ZINC001545751278 1067023020 /nfs/dbraw/zinc/02/30/20/1067023020.db2.gz BQZJPHWZGWMFFF-RPBOFIJWSA-N 2 1 466.718 4.861 20 0 JJADMP CC[C@@H](c1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC001545752368 1067027584 /nfs/dbraw/zinc/02/75/84/1067027584.db2.gz WCFIZMYLNGRKLD-RMTZWNOUSA-N 2 1 466.718 4.861 20 0 JJADMP CC[C@@H](c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@H](C)[NH+]1CCC[C@@H](C)C1)c1ccccc1 ZINC001545752368 1067027597 /nfs/dbraw/zinc/02/75/97/1067027597.db2.gz WCFIZMYLNGRKLD-RMTZWNOUSA-N 2 1 466.718 4.861 20 0 JJADMP CC[C@@H](c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@H](C)[NH+]1CCC[C@@H](C)C1)c1ccccc1 ZINC001545752368 1067027611 /nfs/dbraw/zinc/02/76/11/1067027611.db2.gz WCFIZMYLNGRKLD-RMTZWNOUSA-N 2 1 466.718 4.861 20 0 JJADMP CC[C@H](c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1CCCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC001545758291 1067036797 /nfs/dbraw/zinc/03/67/97/1067036797.db2.gz DMCONNLBRXEONK-RSXGOPAZSA-N 2 1 466.718 4.863 20 0 JJADMP C[N@H+]1CC[C@@H](CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458448344 1067063980 /nfs/dbraw/zinc/06/39/80/1067063980.db2.gz ODMMGAXLFGRGBB-XUZZJYLKSA-N 2 1 458.021 4.890 20 0 JJADMP CCC(CC)[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CC[N@@H+](CC)[C@H](C)C1)[NH+](C)C ZINC001545805016 1067118342 /nfs/dbraw/zinc/11/83/42/1067118342.db2.gz GKVOLMLBPARXRG-XMSQKQJNSA-N 2 1 491.522 4.604 20 0 JJADMP CCC(CC)[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)[NH+](C)C ZINC001545819681 1067155381 /nfs/dbraw/zinc/15/53/81/1067155381.db2.gz KJNYRRMMZYWDGK-ISKFKSNPSA-N 2 1 489.108 4.551 20 0 JJADMP CCC(CC)[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@H+]2CCCC[C@H]2C1)[NH+](C)C ZINC001545819683 1067155592 /nfs/dbraw/zinc/15/55/92/1067155592.db2.gz KJNYRRMMZYWDGK-UPVQGACJSA-N 2 1 489.108 4.551 20 0 JJADMP CCC(CC)[C@H](Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)[NH+](C)C ZINC001545820293 1067158522 /nfs/dbraw/zinc/15/85/22/1067158522.db2.gz VGKHSBYQUVRKLV-HVCNVCAESA-N 2 1 482.717 4.513 20 0 JJADMP CCC(CC)[C@H](Cn1c(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nnc1C(C)(C)C)[NH+](C)C ZINC001545820524 1067159811 /nfs/dbraw/zinc/15/98/11/1067159811.db2.gz YXJHXMGQTVLGOA-ZEQRLZLVSA-N 2 1 454.707 4.653 20 0 JJADMP CC(C)([C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC001458835094 1067163651 /nfs/dbraw/zinc/16/36/51/1067163651.db2.gz JCFPBMIHUMAPQJ-WIOPSUGQSA-N 2 1 455.593 4.909 20 0 JJADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H]1C[NH+](Cc2ccccc2)CCC1(F)F ZINC001452769574 1067250741 /nfs/dbraw/zinc/25/07/41/1067250741.db2.gz JFGSUEPBQZHDDA-VRIJDZSUSA-N 2 1 455.593 4.654 20 0 JJADMP C[C@@H]1[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC001452769574 1067250745 /nfs/dbraw/zinc/25/07/45/1067250745.db2.gz JFGSUEPBQZHDDA-VRIJDZSUSA-N 2 1 455.593 4.654 20 0 JJADMP C[C@@H]1[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC001452769574 1067250753 /nfs/dbraw/zinc/25/07/53/1067250753.db2.gz JFGSUEPBQZHDDA-VRIJDZSUSA-N 2 1 455.593 4.654 20 0 JJADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001459668520 1067377562 /nfs/dbraw/zinc/37/75/62/1067377562.db2.gz HMSZZOBXECLLPW-NRFANRHFSA-N 2 1 451.659 4.794 20 0 JJADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001459668469 1067377594 /nfs/dbraw/zinc/37/75/94/1067377594.db2.gz HFUBJRNMRLICNO-NFBKMPQASA-N 2 1 451.659 4.793 20 0 JJADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001459668469 1067377601 /nfs/dbraw/zinc/37/76/01/1067377601.db2.gz HFUBJRNMRLICNO-NFBKMPQASA-N 2 1 451.659 4.793 20 0 JJADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3nc(-c4cccc(Cl)c4Cl)cs3)CC2)CC1 ZINC001459915255 1067488301 /nfs/dbraw/zinc/48/83/01/1067488301.db2.gz DXDNXYHHNVLWNC-UHFFFAOYSA-N 2 1 453.483 4.966 20 0 JJADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC001459928273 1067495303 /nfs/dbraw/zinc/49/53/03/1067495303.db2.gz ZEWZERDDIINCGQ-JAXLGGSGSA-N 2 1 452.668 4.944 20 0 JJADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC001459928273 1067495307 /nfs/dbraw/zinc/49/53/07/1067495307.db2.gz ZEWZERDDIINCGQ-JAXLGGSGSA-N 2 1 452.668 4.944 20 0 JJADMP C[C@@]1(Cc2ccccc2Cl)CCC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001460403373 1067627245 /nfs/dbraw/zinc/62/72/45/1067627245.db2.gz DJBVGVXPVUHRJM-VWLOTQADSA-N 2 1 458.071 4.925 20 0 JJADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNCc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)C1 ZINC001461048526 1067769267 /nfs/dbraw/zinc/76/92/67/1067769267.db2.gz KTFNTCXKKBAXAK-KDURUIRLSA-N 2 1 459.581 4.837 20 0 JJADMP Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]C2CC[NH+](CCOC(C)C)CC2)cc1 ZINC001461275996 1067816291 /nfs/dbraw/zinc/81/62/91/1067816291.db2.gz PFHDRFPVBGYHFQ-UHFFFAOYSA-N 2 1 450.602 4.966 20 0 JJADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC001461588139 1067894694 /nfs/dbraw/zinc/89/46/94/1067894694.db2.gz ZMCCLYHKPRDWLH-ZJSXRUAMSA-N 2 1 458.528 4.518 20 0 JJADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC001461588139 1067894716 /nfs/dbraw/zinc/89/47/16/1067894716.db2.gz ZMCCLYHKPRDWLH-ZJSXRUAMSA-N 2 1 458.528 4.518 20 0 JJADMP COCC1(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001462242358 1068036283 /nfs/dbraw/zinc/03/62/83/1068036283.db2.gz XEAZSCDSJXLQTK-ISKFKSNPSA-N 2 1 457.659 4.608 20 0 JJADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001462242358 1068036304 /nfs/dbraw/zinc/03/63/04/1068036304.db2.gz XEAZSCDSJXLQTK-ISKFKSNPSA-N 2 1 457.659 4.608 20 0 JJADMP COC(=O)[C@H](C)Oc1ccc(C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001462256251 1068038883 /nfs/dbraw/zinc/03/88/83/1068038883.db2.gz AWICBAQRIAXOPJ-HFZDXXHNSA-N 2 1 450.623 4.750 20 0 JJADMP CC[N@H+](C)[C@@H](C(=O)Nc1ccc(C[NH+]2CCN(c3cccc(C)c3)CC2)cc1)c1ccccc1 ZINC001464131381 1068627825 /nfs/dbraw/zinc/62/78/25/1068627825.db2.gz BYHKILWHEFWYIX-MUUNZHRXSA-N 2 1 456.634 4.949 20 0 JJADMP CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(C[NH+]2CCN(c3cccc(C)c3)CC2)cc1)c1ccccc1 ZINC001464131381 1068627831 /nfs/dbraw/zinc/62/78/31/1068627831.db2.gz BYHKILWHEFWYIX-MUUNZHRXSA-N 2 1 456.634 4.949 20 0 JJADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC001464359591 1068718967 /nfs/dbraw/zinc/71/89/67/1068718967.db2.gz WQRZORFFMRZGMG-QGUKFAFCSA-N 2 1 454.058 4.794 20 0 JJADMP CC(C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)c(Cl)c2)C1 ZINC001464453585 1068751912 /nfs/dbraw/zinc/75/19/12/1068751912.db2.gz REUNRFMVLAAAFC-JOCHJYFZSA-N 2 1 455.046 4.721 20 0 JJADMP CC(C)[N@H+]1CCC[C@@H](C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)c(Cl)c2)C1 ZINC001464453585 1068751919 /nfs/dbraw/zinc/75/19/19/1068751919.db2.gz REUNRFMVLAAAFC-JOCHJYFZSA-N 2 1 455.046 4.721 20 0 JJADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3[C@H](C(F)(F)F)CCC34CC[NH2+]CC4)c2c1C ZINC001164413318 718881337 /nfs/dbraw/zinc/88/13/37/718881337.db2.gz HSKFHKUULKFFLH-INIZCTEOSA-N 2 1 453.578 4.557 20 0 JJADMP Cc1nc2c(n1-c1nc(C[NH+]3CCCCC3)nc3scc(-c4ccccc4)c31)CC[NH2+]CC2 ZINC001164428281 718949495 /nfs/dbraw/zinc/94/94/95/718949495.db2.gz JFRNWJHXEWEBMM-UHFFFAOYSA-N 2 1 458.635 4.527 20 0 JJADMP Cc1nc2c(n1-c1nc(C[NH+]3CCCCC3)nc3scc(-c4cccs4)c31)CC[NH2+]CC2 ZINC001164427093 718949719 /nfs/dbraw/zinc/94/97/19/718949719.db2.gz ALJAHTSKHDOAPK-UHFFFAOYSA-N 2 1 464.664 4.588 20 0 JJADMP [NH3+]C1([C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4scc(-c5cccs5)c43)C[C@H]2CF)CC1 ZINC001164621069 719122506 /nfs/dbraw/zinc/12/25/06/719122506.db2.gz KJLPPNBCKCTLQD-AEFFLSMTSA-N 2 1 471.671 4.919 20 0 JJADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)nc3sc(-c4ccccc4)cc32)c2c1CC[NH2+]C2 ZINC001164682060 719632435 /nfs/dbraw/zinc/63/24/35/719632435.db2.gz LOPPIXBZUPRIBE-UHFFFAOYSA-N 2 1 453.015 4.683 20 0 JJADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)nc3sc(-c4ccccc4)cc32)c2c1CC[NH2+]C2 ZINC001164682060 719632444 /nfs/dbraw/zinc/63/24/44/719632444.db2.gz LOPPIXBZUPRIBE-UHFFFAOYSA-N 2 1 453.015 4.683 20 0 JJADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)c2c1CC[NH2+]C2 ZINC001164680965 719653268 /nfs/dbraw/zinc/65/32/68/719653268.db2.gz KDQJAJMTVOCYJI-UHFFFAOYSA-N 2 1 451.974 4.744 20 0 JJADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)c2c1CC[NH2+]C2 ZINC001164680965 719653277 /nfs/dbraw/zinc/65/32/77/719653277.db2.gz KDQJAJMTVOCYJI-UHFFFAOYSA-N 2 1 451.974 4.744 20 0 JJADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C[NH+](Cc2cccs2)CCO3)nc1 ZINC001164706952 719902967 /nfs/dbraw/zinc/90/29/67/719902967.db2.gz MCXQEYICEADRNL-DEOSSOPVSA-N 2 1 454.684 4.952 20 0 JJADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1 ZINC001164706952 719902991 /nfs/dbraw/zinc/90/29/91/719902991.db2.gz MCXQEYICEADRNL-DEOSSOPVSA-N 2 1 454.684 4.952 20 0 JJADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1 ZINC001164706952 719903011 /nfs/dbraw/zinc/90/30/11/719903011.db2.gz MCXQEYICEADRNL-DEOSSOPVSA-N 2 1 454.684 4.952 20 0 JJADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H](COC)[NH+](Cc4ccccn4)C3)CC2)nc1 ZINC001164712223 720153832 /nfs/dbraw/zinc/15/38/32/720153832.db2.gz LCEVUNPYCDSBPC-SXOMAYOGSA-N 2 1 477.697 4.921 20 0 JJADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164712223 720153839 /nfs/dbraw/zinc/15/38/39/720153839.db2.gz LCEVUNPYCDSBPC-SXOMAYOGSA-N 2 1 477.697 4.921 20 0 JJADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164712223 720153854 /nfs/dbraw/zinc/15/38/54/720153854.db2.gz LCEVUNPYCDSBPC-SXOMAYOGSA-N 2 1 477.697 4.921 20 0 JJADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)n1 ZINC001164734884 720547680 /nfs/dbraw/zinc/54/76/80/720547680.db2.gz LAKGHGYPIUCMRO-HXUWFJFHSA-N 2 1 479.694 4.936 20 0 JJADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)C[NH+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164747917 720933038 /nfs/dbraw/zinc/93/30/38/720933038.db2.gz DQNSWQPSAQYXNJ-QVKOCQLISA-N 2 1 489.708 4.779 20 0 JJADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164747917 720933048 /nfs/dbraw/zinc/93/30/48/720933048.db2.gz DQNSWQPSAQYXNJ-QVKOCQLISA-N 2 1 489.708 4.779 20 0 JJADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164747917 720933057 /nfs/dbraw/zinc/93/30/57/720933057.db2.gz DQNSWQPSAQYXNJ-QVKOCQLISA-N 2 1 489.708 4.779 20 0 JJADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(c3cccc(C)c3)[C@H]3CO[C@]4(CC[NH2+]C4)C3)c2c1C ZINC001164778392 721329829 /nfs/dbraw/zinc/32/98/29/721329829.db2.gz VCANJSAUQOSDBE-AJTFRIOCSA-N 2 1 477.678 4.871 20 0 JJADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC[C@]3(C2)COCC[NH+](Cc2c(C)noc2C)C3)nc1 ZINC001164785323 721373939 /nfs/dbraw/zinc/37/39/39/721373939.db2.gz RBZKOJGFYSIZKZ-XCZPVHLTSA-N 2 1 481.685 4.742 20 0 JJADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164785323 721373941 /nfs/dbraw/zinc/37/39/41/721373941.db2.gz RBZKOJGFYSIZKZ-XCZPVHLTSA-N 2 1 481.685 4.742 20 0 JJADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164785323 721373943 /nfs/dbraw/zinc/37/39/43/721373943.db2.gz RBZKOJGFYSIZKZ-XCZPVHLTSA-N 2 1 481.685 4.742 20 0 JJADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)nc1 ZINC001164913805 721734070 /nfs/dbraw/zinc/73/40/70/721734070.db2.gz XYJGWNNNEDCRHG-ILBGXUMGSA-N 2 1 455.597 4.761 20 0 JJADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164913805 721734076 /nfs/dbraw/zinc/73/40/76/721734076.db2.gz XYJGWNNNEDCRHG-ILBGXUMGSA-N 2 1 455.597 4.761 20 0 JJADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164913805 721734082 /nfs/dbraw/zinc/73/40/82/721734082.db2.gz XYJGWNNNEDCRHG-ILBGXUMGSA-N 2 1 455.597 4.761 20 0 JJADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3[nH+]cnc4c3ccn4Cc3ccccc3)C[C@H]21 ZINC001165029375 721814814 /nfs/dbraw/zinc/81/48/14/721814814.db2.gz YUJJWTWWKWFPIW-HDYLNDSGSA-N 2 1 452.606 4.612 20 0 JJADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3[nH+]cnc4c3ccn4Cc3ccccc3)C[C@H]21 ZINC001165029375 721814815 /nfs/dbraw/zinc/81/48/15/721814815.db2.gz YUJJWTWWKWFPIW-HDYLNDSGSA-N 2 1 452.606 4.612 20 0 JJADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3[nH+]cnc4c3ccn4Cc3ccccc3)C[C@H]21 ZINC001165029368 721814860 /nfs/dbraw/zinc/81/48/60/721814860.db2.gz YUJJWTWWKWFPIW-DNRSQYFGSA-N 2 1 452.606 4.612 20 0 JJADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3[nH+]cnc4c3ccn4Cc3ccccc3)C[C@H]21 ZINC001165029368 721814862 /nfs/dbraw/zinc/81/48/62/721814862.db2.gz YUJJWTWWKWFPIW-DNRSQYFGSA-N 2 1 452.606 4.612 20 0 JJADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3[nH+]cnc4c3ccn4Cc3ccc(F)cc3)C[C@@H]21 ZINC001165029007 721814995 /nfs/dbraw/zinc/81/49/95/721814995.db2.gz YPHSXYUJYIJSLO-QGUKFAFCSA-N 2 1 470.596 4.751 20 0 JJADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3[nH+]cnc4c3ccn4Cc3ccc(F)cc3)C[C@@H]21 ZINC001165029007 721814997 /nfs/dbraw/zinc/81/49/97/721814997.db2.gz YPHSXYUJYIJSLO-QGUKFAFCSA-N 2 1 470.596 4.751 20 0 JJADMP