smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)ccc1[NH+](C)C ZINC000182852401 1125656275 /nfs/dbraw/zinc/65/62/75/1125656275.db2.gz NBVGOQCERGAVAW-MRXNPFEDSA-N 1 2 357.473 4.210 20 10 FICDLO COc1cc([C@H](C)[NH2+]Cc2cc(Cl)cc(F)c2O)cc(OC)c1OC ZINC001648814377 1081217851 /nfs/dbraw/zinc/21/78/51/1081217851.db2.gz KIICLSZMXHWJTE-JTQLQIEISA-N 1 2 369.820 4.061 20 10 FICDLO COc1ccc2c(c1)CCC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1O)C2 ZINC001167325549 1081405661 /nfs/dbraw/zinc/40/56/61/1081405661.db2.gz CZJSUKYMGZVGAN-UHFFFAOYSA-N 1 2 359.853 4.205 20 10 FICDLO COc1ccc2c(c1)CCC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1O)C2 ZINC001167325549 1081405664 /nfs/dbraw/zinc/40/56/64/1081405664.db2.gz CZJSUKYMGZVGAN-UHFFFAOYSA-N 1 2 359.853 4.205 20 10 FICDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(OC3CCCC3)CC2)c1O ZINC000177087672 1083535355 /nfs/dbraw/zinc/53/53/55/1083535355.db2.gz MRIZVWHHJOSDCX-UHFFFAOYSA-N 1 2 351.874 4.172 20 10 FICDLO C[C@H]([NH2+]CCC[C@@H]1CCCC[C@H]1O)c1cc(Br)cc(F)c1O ZINC000756760956 1085789299 /nfs/dbraw/zinc/78/92/99/1085789299.db2.gz SITHRGIQBRZNCO-MQIPJXDCSA-N 1 2 374.294 4.276 20 10 FICDLO O=C(CCCC[NH2+]Cc1cc(Cl)cc(F)c1O)OCc1ccccc1 ZINC000781929240 1091313011 /nfs/dbraw/zinc/31/30/11/1091313011.db2.gz IGVQFEBVYQLOJM-UHFFFAOYSA-N 1 2 365.832 4.188 20 10 FICDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)c1 ZINC000279524141 1091917912 /nfs/dbraw/zinc/91/79/12/1091917912.db2.gz OOQMUELZHRFEBN-IUCAKERBSA-N 1 2 374.384 4.066 20 10 FICDLO Oc1c(Br)cc(Cl)cc1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC001204953349 1093980256 /nfs/dbraw/zinc/98/02/56/1093980256.db2.gz WCLYLRNZGHPUGU-LBPRGKRZSA-N 1 2 374.706 4.057 20 10 FICDLO CC[C@H]([NH2+][C@H](c1nccn1C)c1ccccc1F)c1ccc(C)cc1O ZINC000280175712 1094301827 /nfs/dbraw/zinc/30/18/27/1094301827.db2.gz RIYFZJCXLCTJKS-ICSRJNTNSA-N 1 2 353.441 4.404 20 10 FICDLO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1O)c1ccc(Br)cn1 ZINC000281283606 1095518604 /nfs/dbraw/zinc/51/86/04/1095518604.db2.gz XRAKZPLEXMNHGF-RKDXNWHRSA-N 1 2 357.198 4.240 20 10 FICDLO CO[C@@](C)([C@H](C)[NH2+][C@H](C)c1cc(Br)cc(F)c1O)C1CC1 ZINC000840859776 1106851009 /nfs/dbraw/zinc/85/10/09/1106851009.db2.gz KJUVZEMOBZXSMX-LSYCYVAJSA-N 1 2 360.267 4.148 20 10 FICDLO CN(C)c1ccc(C[N@H+](C)Cn2c(CCC3CCCC3)n[nH]c2=S)cc1 ZINC000058205138 1115139227 /nfs/dbraw/zinc/13/92/27/1115139227.db2.gz SUSFEENWIUWJTJ-UHFFFAOYSA-N 1 2 373.570 4.219 20 10 FICDLO CN(C)c1ccc(C[N@@H+](C)Cn2c(CCC3CCCC3)n[nH]c2=S)cc1 ZINC000058205138 1115139228 /nfs/dbraw/zinc/13/92/28/1115139228.db2.gz SUSFEENWIUWJTJ-UHFFFAOYSA-N 1 2 373.570 4.219 20 10 FICDLO Cc1cc(O)c(C[N@H+](C)Cc2cnn(-c3ccccc3)n2)cc1C(C)C ZINC000917453976 1122319688 /nfs/dbraw/zinc/31/96/88/1122319688.db2.gz ZQZXMSQWQYIXCR-UHFFFAOYSA-N 1 2 350.466 4.037 20 10 FICDLO Cc1cc(O)c(C[N@@H+](C)Cc2cnn(-c3ccccc3)n2)cc1C(C)C ZINC000917453976 1122319693 /nfs/dbraw/zinc/31/96/93/1122319693.db2.gz ZQZXMSQWQYIXCR-UHFFFAOYSA-N 1 2 350.466 4.037 20 10 FICDLO CCOCCCn1c2ccccc2[nH+]c1NCc1cc(C)c(C)cc1O ZINC000763422335 1122412643 /nfs/dbraw/zinc/41/26/43/1122412643.db2.gz RXMWZLUTURGVNU-UHFFFAOYSA-N 1 2 353.466 4.397 20 10 FICDLO C[C@@H]([NH2+]C[C@@H]1CCCC1(F)F)c1cc(Br)cc(F)c1O ZINC000834887130 1082638667 /nfs/dbraw/zinc/63/86/67/1082638667.db2.gz YJCHLBMEAPCLFY-BDAKNGLRSA-N 1 2 352.194 4.380 20 10 FICDLO CCCc1ncc(C[NH2+][C@H](C)c2cc(Br)c(F)cc2O)o1 ZINC000834900712 1082658532 /nfs/dbraw/zinc/65/85/32/1082658532.db2.gz SNZUACMZSSXCJI-SECBINFHSA-N 1 2 357.223 4.085 20 10 FICDLO C[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cc(Br)c(F)cc1O ZINC000756765464 1085824265 /nfs/dbraw/zinc/82/42/65/1085824265.db2.gz OQRBMAQXRQYUAO-WDEREUQCSA-N 1 2 358.251 4.046 20 10 FICDLO CC[C@@H](c1cc(Cl)cc(Cl)c1O)N1CCc2sc(C[NH3+])nc2C1 ZINC000925749944 1086061226 /nfs/dbraw/zinc/06/12/26/1086061226.db2.gz BIEGFBRFGNPBRO-ZDUSSCGKSA-N 1 2 372.321 4.124 20 10 FICDLO CC(C)OCCC[N@H+](C)Cc1cc(Cl)cc(Br)c1O ZINC000708211169 1086273303 /nfs/dbraw/zinc/27/33/03/1086273303.db2.gz KSVNJGGIOHGRGR-UHFFFAOYSA-N 1 2 350.684 4.055 20 10 FICDLO CC(C)OCCC[N@@H+](C)Cc1cc(Cl)cc(Br)c1O ZINC000708211169 1086273321 /nfs/dbraw/zinc/27/33/21/1086273321.db2.gz KSVNJGGIOHGRGR-UHFFFAOYSA-N 1 2 350.684 4.055 20 10 FICDLO Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756526694 1090897256 /nfs/dbraw/zinc/89/72/56/1090897256.db2.gz NKUNXGFCZZAWPX-LLVKDONJSA-N 1 2 368.811 4.312 20 10 FICDLO OCC[C@H]([NH2+]Cc1cccc(Cl)c1O)c1ccccc1Br ZINC000781926398 1091268037 /nfs/dbraw/zinc/26/80/37/1091268037.db2.gz GRWHUSSNDHEPLW-HNNXBMFYSA-N 1 2 370.674 4.021 20 10 FICDLO C[C@@H]([NH2+][C@@H](C)c1ncccc1F)c1cc(Br)c(F)cc1O ZINC000528036086 1109889816 /nfs/dbraw/zinc/88/98/16/1109889816.db2.gz OUECTHOALOPEBO-BDAKNGLRSA-N 1 2 357.198 4.240 20 10 FICDLO CC(C)[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)c1cnn(C)c1 ZINC000927071861 1111830389 /nfs/dbraw/zinc/83/03/89/1111830389.db2.gz VKRNGROAUYRKOD-ZUZCIYMTSA-N 1 2 370.266 4.075 20 10 FICDLO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000479457277 1112030764 /nfs/dbraw/zinc/03/07/64/1112030764.db2.gz VEHWNYWNLJAJOV-QFIPXVFZSA-N 1 2 360.436 4.295 20 10 FICDLO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000479458070 1112030902 /nfs/dbraw/zinc/03/09/02/1112030902.db2.gz SXXMBHTUMWDFBX-JOCHJYFZSA-N 1 2 362.452 4.239 20 10 FICDLO C[C@H]([NH2+]C1Cc2ccccc2C1)c1cc(Br)c(F)cc1O ZINC000762775610 1120961581 /nfs/dbraw/zinc/96/15/81/1120961581.db2.gz CENUEKUAKAKVSA-JTQLQIEISA-N 1 2 350.231 4.112 20 10 FICDLO C[C@@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1ccc2ccccc2c1O ZINC000186437476 1122288626 /nfs/dbraw/zinc/28/86/26/1122288626.db2.gz CZHFUFOYYZWNFO-OAHLLOKOSA-N 1 2 374.444 4.093 20 10 FICDLO CCCn1c(C)nnc1C[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000179647738 1124020774 /nfs/dbraw/zinc/02/07/74/1124020774.db2.gz OLNQIMKTLBEVBE-KRWDZBQOSA-N 1 2 364.493 4.466 20 10 FICDLO CCCn1c(C)nnc1C[N@@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000179647738 1124020777 /nfs/dbraw/zinc/02/07/77/1124020777.db2.gz OLNQIMKTLBEVBE-KRWDZBQOSA-N 1 2 364.493 4.466 20 10 FICDLO CC[N@H+](Cc1cc(Br)ccc1O)[C@@H](C)c1nc(C(C)C)no1 ZINC000076118581 1125780489 /nfs/dbraw/zinc/78/04/89/1125780489.db2.gz DISCIHZHQQRYFL-NSHDSACASA-N 1 2 368.275 4.244 20 10 FICDLO CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H](C)c1nc(C(C)C)no1 ZINC000076118581 1125780495 /nfs/dbraw/zinc/78/04/95/1125780495.db2.gz DISCIHZHQQRYFL-NSHDSACASA-N 1 2 368.275 4.244 20 10 FICDLO COc1ccc(N2CCC[N@H+](Cc3nc(Cl)ccc3Cl)CC2)cc1 ZINC000753914412 1079778335 /nfs/dbraw/zinc/77/83/35/1079778335.db2.gz FOCHNELNGZOZAY-UHFFFAOYSA-N 1 2 366.292 4.109 20 10 FICDLO COc1ccc(N2CCC[N@@H+](Cc3nc(Cl)ccc3Cl)CC2)cc1 ZINC000753914412 1079778346 /nfs/dbraw/zinc/77/83/46/1079778346.db2.gz FOCHNELNGZOZAY-UHFFFAOYSA-N 1 2 366.292 4.109 20 10 FICDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(Cl)cc(Br)c2O)cc1 ZINC001648882605 1081343306 /nfs/dbraw/zinc/34/33/06/1081343306.db2.gz YFASHNITKVUXEK-UHFFFAOYSA-N 1 2 371.618 4.006 20 10 FICDLO Oc1c(Br)cc(Cl)cc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001141373101 1086452144 /nfs/dbraw/zinc/45/21/44/1086452144.db2.gz NFOAGJQQEATBLB-GFCCVEGCSA-N 1 2 352.606 4.039 20 10 FICDLO Oc1c(Br)cc(Cl)cc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001141373101 1086452146 /nfs/dbraw/zinc/45/21/46/1086452146.db2.gz NFOAGJQQEATBLB-GFCCVEGCSA-N 1 2 352.606 4.039 20 10 FICDLO Oc1c(Cl)cccc1C[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000122339965 1089053832 /nfs/dbraw/zinc/05/38/32/1089053832.db2.gz SOUOHLDOVBIWNG-UHFFFAOYSA-N 1 2 368.658 4.033 20 10 FICDLO COc1ccccc1[C@H]([NH2+][C@H](C)c1ccc(F)cc1O)c1ccccn1 ZINC000186193059 1101757759 /nfs/dbraw/zinc/75/77/59/1101757759.db2.gz DTHDPUIVICGISF-SZNDQCEHSA-N 1 2 352.409 4.375 20 10 FICDLO Cc1nc(C2([NH2+]Cc3cc(C(C)(C)C)cc(O)c3O)CCCCC2)no1 ZINC000729849965 1102726225 /nfs/dbraw/zinc/72/62/25/1102726225.db2.gz QZPAMGQUWXHUFT-UHFFFAOYSA-N 1 2 359.470 4.036 20 10 FICDLO C[C@H]([NH2+][C@@H](C)c1ncccc1F)c1cc(Br)c(F)cc1O ZINC000528036087 1109889989 /nfs/dbraw/zinc/88/99/89/1109889989.db2.gz OUECTHOALOPEBO-IUCAKERBSA-N 1 2 357.198 4.240 20 10 FICDLO Cc1cc(N(C)C)ccc1C[N@@H+]1CCO[C@H](c2ccc(Cl)s2)C1 ZINC001204721037 1114949930 /nfs/dbraw/zinc/94/99/30/1114949930.db2.gz HPDMSOFNSWHTQH-INIZCTEOSA-N 1 2 350.915 4.349 20 10 FICDLO Cc1cc(N(C)C)ccc1C[N@H+]1CCO[C@H](c2ccc(Cl)s2)C1 ZINC001204721037 1114949931 /nfs/dbraw/zinc/94/99/31/1114949931.db2.gz HPDMSOFNSWHTQH-INIZCTEOSA-N 1 2 350.915 4.349 20 10 FICDLO CC[N@H+](Cc1ccccc1O)Cc1nc(Cl)ccc1Br ZINC001232062401 1115714131 /nfs/dbraw/zinc/71/41/31/1115714131.db2.gz SZUBUTZVMPOBOI-UHFFFAOYSA-N 1 2 355.663 4.225 20 10 FICDLO CC[N@@H+](Cc1ccccc1O)Cc1nc(Cl)ccc1Br ZINC001232062401 1115714134 /nfs/dbraw/zinc/71/41/34/1115714134.db2.gz SZUBUTZVMPOBOI-UHFFFAOYSA-N 1 2 355.663 4.225 20 10 FICDLO Oc1ccc(Cl)c(F)c1CNC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001649096452 1121759191 /nfs/dbraw/zinc/75/91/91/1121759191.db2.gz WYVJUCSLOHMMEU-HNNXBMFYSA-N 1 2 354.897 4.319 20 10 FICDLO Oc1ccc(Cl)c(F)c1CNC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC001649096452 1121759197 /nfs/dbraw/zinc/75/91/97/1121759197.db2.gz WYVJUCSLOHMMEU-HNNXBMFYSA-N 1 2 354.897 4.319 20 10 FICDLO COc1c(C)[nH+]c(C2CC2)nc1NCc1cc(Cl)c2cccnc2c1O ZINC001168521695 1121871175 /nfs/dbraw/zinc/87/11/75/1121871175.db2.gz HACMAFWNZCHQQS-UHFFFAOYSA-N 1 2 370.840 4.190 20 10 FICDLO COc1cc(CN2CC[NH+](Cc3cccs3)CC2)c(O)c(C(C)(C)C)c1 ZINC000918067790 1122543135 /nfs/dbraw/zinc/54/31/35/1122543135.db2.gz UFGQRGDIAMENJB-UHFFFAOYSA-N 1 2 374.550 4.078 20 10 FICDLO CC[N@H+](Cc1cc(Br)ccc1O)[C@H](C)c1nc(C(C)C)no1 ZINC000076118582 1125780293 /nfs/dbraw/zinc/78/02/93/1125780293.db2.gz DISCIHZHQQRYFL-LLVKDONJSA-N 1 2 368.275 4.244 20 10 FICDLO CC[N@@H+](Cc1cc(Br)ccc1O)[C@H](C)c1nc(C(C)C)no1 ZINC000076118582 1125780299 /nfs/dbraw/zinc/78/02/99/1125780299.db2.gz DISCIHZHQQRYFL-LLVKDONJSA-N 1 2 368.275 4.244 20 10 FICDLO CCC[N@H+](Cc1ccc(F)cc1F)Cc1cc(F)cc(C(C)=O)c1O ZINC001167237821 1080890494 /nfs/dbraw/zinc/89/04/94/1080890494.db2.gz VGUHHQVEOMDJCV-UHFFFAOYSA-N 1 2 351.368 4.424 20 10 FICDLO CCC[N@@H+](Cc1ccc(F)cc1F)Cc1cc(F)cc(C(C)=O)c1O ZINC001167237821 1080890499 /nfs/dbraw/zinc/89/04/99/1080890499.db2.gz VGUHHQVEOMDJCV-UHFFFAOYSA-N 1 2 351.368 4.424 20 10 FICDLO Cc1ccncc1[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756674914 1085279280 /nfs/dbraw/zinc/27/92/80/1085279280.db2.gz CWSJUUFXADDKME-QWRGUYRKSA-N 1 2 353.235 4.409 20 10 FICDLO C[N@H+](Cc1cccc(O)c1)Cc1cc(Cl)cc(Br)c1O ZINC001141367890 1086396800 /nfs/dbraw/zinc/39/68/00/1086396800.db2.gz VWGCUXGPXFTDQD-UHFFFAOYSA-N 1 2 356.647 4.146 20 10 FICDLO C[N@@H+](Cc1cccc(O)c1)Cc1cc(Cl)cc(Br)c1O ZINC001141367890 1086396812 /nfs/dbraw/zinc/39/68/12/1086396812.db2.gz VWGCUXGPXFTDQD-UHFFFAOYSA-N 1 2 356.647 4.146 20 10 FICDLO COC1CCN(c2ccc(C[N@@H+]3CCc4c(F)ccc(F)c4C3)cc2)CC1 ZINC000828021548 1086770972 /nfs/dbraw/zinc/77/09/72/1086770972.db2.gz YNSZJLZWDFZBBM-UHFFFAOYSA-N 1 2 372.459 4.138 20 10 FICDLO COC1CCN(c2ccc(C[N@H+]3CCc4c(F)ccc(F)c4C3)cc2)CC1 ZINC000828021548 1086770988 /nfs/dbraw/zinc/77/09/88/1086770988.db2.gz YNSZJLZWDFZBBM-UHFFFAOYSA-N 1 2 372.459 4.138 20 10 FICDLO O=C1/C(=C/c2ccc(-n3cc[nH+]c3)cc2)SC(=S)N1c1ccccc1 ZINC000007900677 1101526226 /nfs/dbraw/zinc/52/62/26/1101526226.db2.gz YTMMSTZJPNBVDU-ATVHPVEESA-N 1 2 363.467 4.278 20 10 FICDLO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCc3nc(C(C)(C)C)ncc3C2)c1 ZINC000530103959 1106827567 /nfs/dbraw/zinc/82/75/67/1106827567.db2.gz YEKGGNQWIYYAPF-UHFFFAOYSA-N 1 2 369.509 4.041 20 10 FICDLO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCc3nc(C(C)(C)C)ncc3C2)c1 ZINC000530103959 1106827585 /nfs/dbraw/zinc/82/75/85/1106827585.db2.gz YEKGGNQWIYYAPF-UHFFFAOYSA-N 1 2 369.509 4.041 20 10 FICDLO C[NH+](C)C[C@@H](NCc1cc(F)ccc1O)c1ccc(Cl)c(Cl)c1 ZINC000529668278 1110302638 /nfs/dbraw/zinc/30/26/38/1110302638.db2.gz FYFVOLVPLFEMFD-MRXNPFEDSA-N 1 2 357.256 4.231 20 10 FICDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC001648828472 1081266118 /nfs/dbraw/zinc/26/61/18/1081266118.db2.gz CMYOMAKHXNRNNT-UHFFFAOYSA-N 1 2 350.821 4.191 20 10 FICDLO CC(C)COC[C@H]([NH2+]Cc1cccc(Br)c1O)c1ccco1 ZINC000101596930 1083021552 /nfs/dbraw/zinc/02/15/52/1083021552.db2.gz OGSQGHXHAZVYIE-HNNXBMFYSA-N 1 2 368.271 4.251 20 10 FICDLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@H](C(F)(F)F)C2)ccc1N1CCCCC1 ZINC001167490634 1083079480 /nfs/dbraw/zinc/07/94/80/1083079480.db2.gz FRHCCZBCRCSEPN-QAPCUYQASA-N 1 2 356.432 4.137 20 10 FICDLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@H](C(F)(F)F)C2)ccc1N1CCCCC1 ZINC001167490634 1083079490 /nfs/dbraw/zinc/07/94/90/1083079490.db2.gz FRHCCZBCRCSEPN-QAPCUYQASA-N 1 2 356.432 4.137 20 10 FICDLO Cc1ccc(N2C(=O)/C(=C/c3cccc4[nH+]ccn43)SC2=S)cc1 ZINC000180309382 1085040178 /nfs/dbraw/zinc/04/01/78/1085040178.db2.gz LSMTWOXJVPKGQU-PTNGSMBKSA-N 1 2 351.456 4.049 20 10 FICDLO Cc1ccncc1[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000756674912 1085278805 /nfs/dbraw/zinc/27/88/05/1085278805.db2.gz CWSJUUFXADDKME-GHMZBOCLSA-N 1 2 353.235 4.409 20 10 FICDLO C[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cc(Br)c(F)cc1O ZINC000756765451 1085820053 /nfs/dbraw/zinc/82/00/53/1085820053.db2.gz OQRBMAQXRQYUAO-GHMZBOCLSA-N 1 2 358.251 4.046 20 10 FICDLO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000728537995 1086047702 /nfs/dbraw/zinc/04/77/02/1086047702.db2.gz GTUUSBDGRSLGMA-IBGZPJMESA-N 1 2 362.477 4.076 20 10 FICDLO C[N@H+](Cc1nc(-c2cccs2)no1)Cc1ccc(N2CCCCC2)cc1 ZINC000248060171 1093221021 /nfs/dbraw/zinc/22/10/21/1093221021.db2.gz PTSZMTJUJWQWGV-UHFFFAOYSA-N 1 2 368.506 4.420 20 10 FICDLO C[N@@H+](Cc1nc(-c2cccs2)no1)Cc1ccc(N2CCCCC2)cc1 ZINC000248060171 1093221036 /nfs/dbraw/zinc/22/10/36/1093221036.db2.gz PTSZMTJUJWQWGV-UHFFFAOYSA-N 1 2 368.506 4.420 20 10 FICDLO Cc1cc2ccccc2[nH+]c1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000301697973 1107115496 /nfs/dbraw/zinc/11/54/96/1107115496.db2.gz OAEBOERPVLIGFP-UHFFFAOYSA-N 1 2 351.425 4.131 20 10 FICDLO C[NH+](C)C[C@H](NCc1cc(F)ccc1O)c1ccc(Cl)c(Cl)c1 ZINC000529668277 1110302873 /nfs/dbraw/zinc/30/28/73/1110302873.db2.gz FYFVOLVPLFEMFD-INIZCTEOSA-N 1 2 357.256 4.231 20 10 FICDLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N(Cc1ccco1)Cc1ccccc1O ZINC000173671644 1116079875 /nfs/dbraw/zinc/07/98/75/1116079875.db2.gz SCNJQGKZGXJKLW-UHFFFAOYSA-N 1 2 373.412 4.014 20 10 FICDLO c1[nH+]c2cc(NCc3ccc(OC4COC4)cc3)ccc2n1-c1ccccc1 ZINC001168463954 1119724278 /nfs/dbraw/zinc/72/42/78/1119724278.db2.gz TZHADSKAKBUJET-UHFFFAOYSA-N 1 2 371.440 4.415 20 10 FICDLO c1nn(-c2ccccc2)c2nc[nH+]c(NCc3ccc(N4CCCC4)cc3)c12 ZINC000915212093 1120870066 /nfs/dbraw/zinc/87/00/66/1120870066.db2.gz XVROIIKZHXAIMS-UHFFFAOYSA-N 1 2 370.460 4.028 20 10 FICDLO Oc1c(CNc2ccc(N3CCCC3)[nH+]c2)cc(Cl)c2cccnc12 ZINC001168522678 1122090875 /nfs/dbraw/zinc/09/08/75/1122090875.db2.gz HVLBVYNIWKRZQZ-UHFFFAOYSA-N 1 2 354.841 4.201 20 10 FICDLO CC(C)CCc1nc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cs1 ZINC000920838046 1123526425 /nfs/dbraw/zinc/52/64/25/1123526425.db2.gz GOMRUASHNOBWJI-UHFFFAOYSA-N 1 2 373.566 4.200 20 10 FICDLO CC(C)CCc1nc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cs1 ZINC000920838046 1123526427 /nfs/dbraw/zinc/52/64/27/1123526427.db2.gz GOMRUASHNOBWJI-UHFFFAOYSA-N 1 2 373.566 4.200 20 10 FICDLO Cc1nnc(C[N@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)n1C1CC1 ZINC000179647783 1124020977 /nfs/dbraw/zinc/02/09/77/1124020977.db2.gz LOSKIWAXLWHBII-INIZCTEOSA-N 1 2 362.477 4.390 20 10 FICDLO Cc1nnc(C[N@@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)n1C1CC1 ZINC000179647783 1124020982 /nfs/dbraw/zinc/02/09/82/1124020982.db2.gz LOSKIWAXLWHBII-INIZCTEOSA-N 1 2 362.477 4.390 20 10 FICDLO COc1ccc2[nH]cc(C3=CCN(c4cc(C)[nH+]c(C5CC5)n4)CC3)c2c1 ZINC000604756989 568365166 /nfs/dbraw/zinc/36/51/66/568365166.db2.gz QNNDKTMEXBBDHW-UHFFFAOYSA-N 1 2 360.461 4.446 20 10 FICDLO Cc1cccc(C)c1NC(=O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000070975121 1125755906 /nfs/dbraw/zinc/75/59/06/1125755906.db2.gz SPLJHZDPHRAJDD-UHFFFAOYSA-N 1 2 364.445 4.243 20 10 FICDLO Cc1cccc(C)c1NC(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000070975121 1125755913 /nfs/dbraw/zinc/75/59/13/1125755913.db2.gz SPLJHZDPHRAJDD-UHFFFAOYSA-N 1 2 364.445 4.243 20 10 FICDLO Cc1ccc(NC(=O)C[N@H+](Cc2ccco2)Cc2ccccc2O)cc1C ZINC000006566259 1079895306 /nfs/dbraw/zinc/89/53/06/1079895306.db2.gz QTNKRWCDQJFLDI-UHFFFAOYSA-N 1 2 364.445 4.243 20 10 FICDLO Cc1ccc(NC(=O)C[N@@H+](Cc2ccco2)Cc2ccccc2O)cc1C ZINC000006566259 1079895318 /nfs/dbraw/zinc/89/53/18/1079895318.db2.gz QTNKRWCDQJFLDI-UHFFFAOYSA-N 1 2 364.445 4.243 20 10 FICDLO CCC1(O)CCC([NH2+][C@H](C)c2cc(Br)cc(F)c2O)CC1 ZINC000756676486 1085275416 /nfs/dbraw/zinc/27/54/16/1085275416.db2.gz LUYQSPZATXWZLD-WCVRRQIGSA-N 1 2 360.267 4.028 20 10 FICDLO C[C@H]([NH2+][C@H](c1nccn1C)c1cccc(F)c1)c1cc(Cl)ccc1O ZINC000184959298 1101683881 /nfs/dbraw/zinc/68/38/81/1101683881.db2.gz KPRSHBMLGATCDC-SGTLLEGYSA-N 1 2 359.832 4.358 20 10 FICDLO C[C@H](Nc1ccc2c(c1)[nH+]cn2C)c1cc(Br)cc(F)c1O ZINC000757609983 1101936774 /nfs/dbraw/zinc/93/67/74/1101936774.db2.gz DSQBCOPSRVPPDX-VIFPVBQESA-N 1 2 364.218 4.354 20 10 FICDLO CC[C@H]([NH2+][C@H](c1nccn1C)c1ccc(F)cc1F)c1ccccc1O ZINC000898108273 1102174577 /nfs/dbraw/zinc/17/45/77/1102174577.db2.gz ZUXUTMQYEZISEP-HKUYNNGSSA-N 1 2 357.404 4.234 20 10 FICDLO COc1cccc(CNc2cc[nH+]c3c(Br)cccc23)c1O ZINC000301996536 1107247013 /nfs/dbraw/zinc/24/70/13/1107247013.db2.gz TWVWIELMXIVMBK-UHFFFAOYSA-N 1 2 359.223 4.324 20 10 FICDLO COc1ccccc1[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccco1 ZINC000151133956 1114299691 /nfs/dbraw/zinc/29/96/91/1114299691.db2.gz GYVMCHMTZAAEEH-NRFANRHFSA-N 1 2 354.425 4.373 20 10 FICDLO O=C(Nc1cccc(N2CCCCC2)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000919823126 1123168551 /nfs/dbraw/zinc/16/85/51/1123168551.db2.gz BDUWPTTYUVMIAW-UHFFFAOYSA-N 1 2 360.461 4.174 20 10 FICDLO COC(=O)C[N@H+](Cc1ccc(Cl)cc1)Cc1c(O)ccc2ccccc21 ZINC000921188165 1123580366 /nfs/dbraw/zinc/58/03/66/1123580366.db2.gz FWZCFZKCXIGDFY-UHFFFAOYSA-N 1 2 369.848 4.374 20 10 FICDLO COC(=O)C[N@@H+](Cc1ccc(Cl)cc1)Cc1c(O)ccc2ccccc21 ZINC000921188165 1123580372 /nfs/dbraw/zinc/58/03/72/1123580372.db2.gz FWZCFZKCXIGDFY-UHFFFAOYSA-N 1 2 369.848 4.374 20 10 FICDLO Cc1ccncc1[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000756674913 1085279139 /nfs/dbraw/zinc/27/91/39/1085279139.db2.gz CWSJUUFXADDKME-MNOVXSKESA-N 1 2 353.235 4.409 20 10 FICDLO CN(C)c1ccc(C[N@H+](C)Cc2cccc(F)c2Br)cc1 ZINC001137722363 1085797369 /nfs/dbraw/zinc/79/73/69/1085797369.db2.gz KSRUOURZYWRXDP-UHFFFAOYSA-N 1 2 351.263 4.286 20 10 FICDLO CN(C)c1ccc(C[N@@H+](C)Cc2cccc(F)c2Br)cc1 ZINC001137722363 1085797376 /nfs/dbraw/zinc/79/73/76/1085797376.db2.gz KSRUOURZYWRXDP-UHFFFAOYSA-N 1 2 351.263 4.286 20 10 FICDLO Cc1cc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c(C)n1-c1ccccc1C ZINC000728541786 1086150252 /nfs/dbraw/zinc/15/02/52/1086150252.db2.gz KLYQGWUPQAFGHT-LJQANCHMSA-N 1 2 362.477 4.076 20 10 FICDLO Oc1c(Br)cc(Cl)cc1C[N@@H+]1CC[C@H](COCC2CC2)C1 ZINC001141374374 1086464106 /nfs/dbraw/zinc/46/41/06/1086464106.db2.gz GGHTVFLTIYZFEN-LBPRGKRZSA-N 1 2 374.706 4.057 20 10 FICDLO Oc1c(Br)cc(Cl)cc1C[N@H+]1CC[C@H](COCC2CC2)C1 ZINC001141374374 1086464112 /nfs/dbraw/zinc/46/41/12/1086464112.db2.gz GGHTVFLTIYZFEN-LBPRGKRZSA-N 1 2 374.706 4.057 20 10 FICDLO CC(C)Cn1ncnc1C[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000182974750 1090383705 /nfs/dbraw/zinc/38/37/05/1090383705.db2.gz SJTGENPECBMBJV-SFHVURJKSA-N 1 2 364.493 4.403 20 10 FICDLO CC(C)Cn1ncnc1C[N@@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000182974750 1090383711 /nfs/dbraw/zinc/38/37/11/1090383711.db2.gz SJTGENPECBMBJV-SFHVURJKSA-N 1 2 364.493 4.403 20 10 FICDLO C[C@@H]([NH2+]C[C@H]1Cc2ccccc21)c1cc(Br)cc(F)c1O ZINC000756535823 1090958362 /nfs/dbraw/zinc/95/83/62/1090958362.db2.gz RPXJBSVGZZPZPA-ZYHUDNBSSA-N 1 2 350.231 4.284 20 10 FICDLO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2nc(Cc3ccccc3)no2)cc1 ZINC000191603935 1091081352 /nfs/dbraw/zinc/08/13/52/1091081352.db2.gz HLDDGJJBDBEKGJ-KRWDZBQOSA-N 1 2 364.493 4.357 20 10 FICDLO COc1cc(Cl)cc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)c1O ZINC000761184106 1115598700 /nfs/dbraw/zinc/59/87/00/1115598700.db2.gz PZWGVEOVHMAELO-UHFFFAOYSA-N 1 2 371.220 4.248 20 10 FICDLO COc1cc(Cl)cc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)c1O ZINC000761184106 1115598703 /nfs/dbraw/zinc/59/87/03/1115598703.db2.gz PZWGVEOVHMAELO-UHFFFAOYSA-N 1 2 371.220 4.248 20 10 FICDLO C[N@H+](Cc1nccn1CC(F)(F)F)Cc1ccc(N2CCCCC2)cc1 ZINC000172393868 1121224964 /nfs/dbraw/zinc/22/49/64/1121224964.db2.gz ZGLSZLGOANJFTB-UHFFFAOYSA-N 1 2 366.431 4.068 20 10 FICDLO C[N@@H+](Cc1nccn1CC(F)(F)F)Cc1ccc(N2CCCCC2)cc1 ZINC000172393868 1121224968 /nfs/dbraw/zinc/22/49/68/1121224968.db2.gz ZGLSZLGOANJFTB-UHFFFAOYSA-N 1 2 366.431 4.068 20 10 FICDLO Oc1c(CNc2ccc(-n3cccc3)c[nH+]2)cc(Cl)c2cccnc12 ZINC001168522123 1121912373 /nfs/dbraw/zinc/91/23/73/1121912373.db2.gz PHARCANTHZWPOY-UHFFFAOYSA-N 1 2 350.809 4.392 20 10 FICDLO Oc1c(Br)cc(Cl)cc1C[NH2+]Cc1ccc(F)c(F)c1 ZINC000708056614 1085126035 /nfs/dbraw/zinc/12/60/35/1085126035.db2.gz NSORTJNPLVLHOC-UHFFFAOYSA-N 1 2 362.601 4.376 20 10 FICDLO Cc1cc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c(C)n1-c1cccc(C)c1 ZINC000728542723 1086165527 /nfs/dbraw/zinc/16/55/27/1086165527.db2.gz QUNDLFGCPWELKK-FQEVSTJZSA-N 1 2 362.477 4.076 20 10 FICDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)c1 ZINC000279524140 1091918484 /nfs/dbraw/zinc/91/84/84/1091918484.db2.gz OOQMUELZHRFEBN-DTWKUNHWSA-N 1 2 374.384 4.066 20 10 FICDLO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc(Br)c2O)o1 ZINC000137064703 1093768191 /nfs/dbraw/zinc/76/81/91/1093768191.db2.gz SDNIJFAHALRNBF-HNNXBMFYSA-N 1 2 366.255 4.231 20 10 FICDLO COCc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(Br)c2O)o1 ZINC000137064703 1093768198 /nfs/dbraw/zinc/76/81/98/1093768198.db2.gz SDNIJFAHALRNBF-HNNXBMFYSA-N 1 2 366.255 4.231 20 10 FICDLO FC(F)(F)Cn1c(-c2ccccc2)cnc1SCCn1cc[nH+]c1 ZINC000160111837 1105209524 /nfs/dbraw/zinc/20/95/24/1105209524.db2.gz UVFYFGMODJETGF-UHFFFAOYSA-N 1 2 352.385 4.101 20 10 FICDLO COc1ccc(N2CCC(Nc3cc[nH+]c4c(OC)cccc34)CC2)cc1 ZINC000302475164 1107371967 /nfs/dbraw/zinc/37/19/67/1107371967.db2.gz VBFJTAPCPSAVMP-UHFFFAOYSA-N 1 2 363.461 4.333 20 10 FICDLO C[C@H]([NH2+]CCC[C@H]1CCCCO1)c1cc(Br)c(F)cc1O ZINC000760904848 1115169716 /nfs/dbraw/zinc/16/97/16/1115169716.db2.gz DFDJIOBAFRRJSR-NWDGAFQWSA-N 1 2 360.267 4.294 20 10 FICDLO CCc1cnc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)s1 ZINC000130457321 1121584168 /nfs/dbraw/zinc/58/41/68/1121584168.db2.gz PYLAYRSQKOKENS-CYBMUJFWSA-N 1 2 365.930 4.046 20 10 FICDLO C[N@H+](Cc1csc(C2CCCC2)n1)Cc1ccc(N2CCOCC2)cc1 ZINC000069517922 1124939202 /nfs/dbraw/zinc/93/92/02/1124939202.db2.gz BBJJUXFPFDEXQR-UHFFFAOYSA-N 1 2 371.550 4.269 20 10 FICDLO C[N@@H+](Cc1csc(C2CCCC2)n1)Cc1ccc(N2CCOCC2)cc1 ZINC000069517922 1124939210 /nfs/dbraw/zinc/93/92/10/1124939210.db2.gz BBJJUXFPFDEXQR-UHFFFAOYSA-N 1 2 371.550 4.269 20 10 FICDLO Oc1c(F)cc(Br)cc1CNc1ccc(-n2cc[nH+]c2)cc1 ZINC001648864742 1081327034 /nfs/dbraw/zinc/32/70/34/1081327034.db2.gz XJCRZTHNYUUNEX-UHFFFAOYSA-N 1 2 362.202 4.092 20 10 FICDLO C[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)c1cccc(O)c1 ZINC000708133843 1085766161 /nfs/dbraw/zinc/76/61/61/1085766161.db2.gz NAMAXDBEBIICGA-VIFPVBQESA-N 1 2 356.647 4.365 20 10 FICDLO CCCOC1CC[NH+](Cc2cc(Cl)cc(Br)c2O)CC1 ZINC001141373232 1086450578 /nfs/dbraw/zinc/45/05/78/1086450578.db2.gz SRIIQWSMXSUGET-UHFFFAOYSA-N 1 2 362.695 4.199 20 10 FICDLO Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756576114 1091172486 /nfs/dbraw/zinc/17/24/86/1091172486.db2.gz YNEXXUZPWCBALA-YUMQZZPRSA-N 1 2 357.223 4.310 20 10 FICDLO C[C@H]([NH2+][C@H](CCO)c1ccccc1)c1cc(Br)cc(F)c1O ZINC000756602544 1091343284 /nfs/dbraw/zinc/34/32/84/1091343284.db2.gz FFKBVLYKARPBMF-MEDUHNTESA-N 1 2 368.246 4.068 20 10 FICDLO COCc1ccc([C@H]2CCC[N@@H+]2Cc2cccc(Br)c2O)o1 ZINC000137064749 1093775496 /nfs/dbraw/zinc/77/54/96/1093775496.db2.gz SDNIJFAHALRNBF-OAHLLOKOSA-N 1 2 366.255 4.231 20 10 FICDLO COCc1ccc([C@H]2CCC[N@H+]2Cc2cccc(Br)c2O)o1 ZINC000137064749 1093775503 /nfs/dbraw/zinc/77/55/03/1093775503.db2.gz SDNIJFAHALRNBF-OAHLLOKOSA-N 1 2 366.255 4.231 20 10 FICDLO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)c1ccc(Br)cn1 ZINC000281283599 1095517002 /nfs/dbraw/zinc/51/70/02/1095517002.db2.gz XRAKZPLEXMNHGF-IUCAKERBSA-N 1 2 357.198 4.240 20 10 FICDLO C[C@@H]([NH2+][C@@H](c1nccn1C)c1cccc(F)c1)c1cc(Cl)ccc1O ZINC000184959365 1101684294 /nfs/dbraw/zinc/68/42/94/1101684294.db2.gz KPRSHBMLGATCDC-KZULUSFZSA-N 1 2 359.832 4.358 20 10 FICDLO C[C@@H]([NH2+]CC(C)(C)c1cccnc1)c1cc(Br)cc(F)c1O ZINC000840892330 1107697862 /nfs/dbraw/zinc/69/78/62/1107697862.db2.gz RAZQLSXMDLQEHD-LLVKDONJSA-N 1 2 367.262 4.317 20 10 FICDLO C[C@H]([NH2+]C1Cc2ccccc2C1)c1cc(Br)cc(F)c1O ZINC000762781222 1120961831 /nfs/dbraw/zinc/96/18/31/1120961831.db2.gz QRWBLVPTDYNNRW-JTQLQIEISA-N 1 2 350.231 4.112 20 10 FICDLO CC(C)[N@H+](Cc1noc(-c2ccsc2)n1)Cc1ccc(N(C)C)cc1 ZINC000917075331 1122070035 /nfs/dbraw/zinc/07/00/35/1122070035.db2.gz TWRBHNPKROTIRA-UHFFFAOYSA-N 1 2 356.495 4.275 20 10 FICDLO CC(C)[N@@H+](Cc1noc(-c2ccsc2)n1)Cc1ccc(N(C)C)cc1 ZINC000917075331 1122070041 /nfs/dbraw/zinc/07/00/41/1122070041.db2.gz TWRBHNPKROTIRA-UHFFFAOYSA-N 1 2 356.495 4.275 20 10 FICDLO C[C@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1ccc2ccccc2c1O ZINC000186437458 1122288034 /nfs/dbraw/zinc/28/80/34/1122288034.db2.gz CZHFUFOYYZWNFO-HNNXBMFYSA-N 1 2 374.444 4.093 20 10 FICDLO CO[C@@H](C)c1nc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)cs1 ZINC000175051207 1123724423 /nfs/dbraw/zinc/72/44/23/1123724423.db2.gz RAZPZGOYJVSNBK-INIZCTEOSA-N 1 2 359.539 4.473 20 10 FICDLO CO[C@@H](C)c1nc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)cs1 ZINC000175051207 1123724426 /nfs/dbraw/zinc/72/44/26/1123724426.db2.gz RAZPZGOYJVSNBK-INIZCTEOSA-N 1 2 359.539 4.473 20 10 FICDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC001648816730 1081238375 /nfs/dbraw/zinc/23/83/75/1081238375.db2.gz GJACKILZEFKDMM-UHFFFAOYSA-N 1 2 363.738 4.416 20 10 FICDLO Cc1cc(C)c(C[NH2+]Cc2cc(Cl)cc(Br)c2O)cn1 ZINC000708110984 1085618452 /nfs/dbraw/zinc/61/84/52/1085618452.db2.gz KSTPQKHBAXVMLS-UHFFFAOYSA-N 1 2 355.663 4.110 20 10 FICDLO Oc1c(Br)cc(Cl)cc1C[NH+]1CCC(C(F)F)CC1 ZINC000708216955 1086275249 /nfs/dbraw/zinc/27/52/49/1086275249.db2.gz XCMVKJQLEMZXPY-UHFFFAOYSA-N 1 2 354.622 4.285 20 10 FICDLO COc1ccc(C[N@H+](C)Cc2cc(Cl)cc(Br)c2O)cc1 ZINC001141367752 1086395449 /nfs/dbraw/zinc/39/54/49/1086395449.db2.gz OUCKTHCPEKBFQO-UHFFFAOYSA-N 1 2 370.674 4.449 20 10 FICDLO COc1ccc(C[N@@H+](C)Cc2cc(Cl)cc(Br)c2O)cc1 ZINC001141367752 1086395461 /nfs/dbraw/zinc/39/54/61/1086395461.db2.gz OUCKTHCPEKBFQO-UHFFFAOYSA-N 1 2 370.674 4.449 20 10 FICDLO Cc1ncccc1C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000527987950 1109887299 /nfs/dbraw/zinc/88/72/99/1109887299.db2.gz QQUJQLZJBNEUPE-JTQLQIEISA-N 1 2 355.663 4.362 20 10 FICDLO C[C@@H]([NH2+][C@@H](C)c1ncccc1F)c1cc(Br)cc(F)c1O ZINC000528036393 1109890042 /nfs/dbraw/zinc/89/00/42/1109890042.db2.gz QXXFEKPYMSIQIY-BDAKNGLRSA-N 1 2 357.198 4.240 20 10 FICDLO Cn1ccc([C@H]([NH2+]Cc2cc(Cl)ccc2O)c2ccc(Cl)cc2)n1 ZINC000762557922 1120928369 /nfs/dbraw/zinc/92/83/69/1120928369.db2.gz VQGNOSBOQWOZMA-GOSISDBHSA-N 1 2 362.260 4.312 20 10 FICDLO Cc1cc(CC(=O)Nc2ccc(C)[nH+]c2N(C)C)c(C)n1-c1ccccc1 ZINC001127365247 1120946265 /nfs/dbraw/zinc/94/62/65/1120946265.db2.gz IHDXGQKVVOFSCL-UHFFFAOYSA-N 1 2 362.477 4.045 20 10 FICDLO Cc1ccc(-c2nc(CC[NH2+]Cc3cc(Cl)cc(F)c3O)co2)cc1 ZINC001649015734 1120991799 /nfs/dbraw/zinc/99/17/99/1120991799.db2.gz YVIORSSCFAGZQJ-UHFFFAOYSA-N 1 2 360.816 4.480 20 10 FICDLO COC(=O)c1ccc(F)c(C[N@H+](Cc2ccco2)Cc2ccccc2O)c1 ZINC000182002455 1125205797 /nfs/dbraw/zinc/20/57/97/1125205797.db2.gz IIMLKWISLGSJCV-UHFFFAOYSA-N 1 2 369.392 4.113 20 10 FICDLO COC(=O)c1ccc(F)c(C[N@@H+](Cc2ccco2)Cc2ccccc2O)c1 ZINC000182002455 1125205803 /nfs/dbraw/zinc/20/58/03/1125205803.db2.gz IIMLKWISLGSJCV-UHFFFAOYSA-N 1 2 369.392 4.113 20 10 FICDLO O=C(C[N@H+](Cc1ccco1)Cc1ccccc1O)Nc1ccccc1Cl ZINC000070975123 1125755501 /nfs/dbraw/zinc/75/55/01/1125755501.db2.gz AIODLSRZODZXLC-UHFFFAOYSA-N 1 2 370.836 4.280 20 10 FICDLO O=C(C[N@@H+](Cc1ccco1)Cc1ccccc1O)Nc1ccccc1Cl ZINC000070975123 1125755508 /nfs/dbraw/zinc/75/55/08/1125755508.db2.gz AIODLSRZODZXLC-UHFFFAOYSA-N 1 2 370.836 4.280 20 10 FICDLO COc1cc([C@@H](C)[NH2+]Cc2cc(Cl)cc(F)c2O)cc(OC)c1OC ZINC001648814378 1081217906 /nfs/dbraw/zinc/21/79/06/1081217906.db2.gz KIICLSZMXHWJTE-SNVBAGLBSA-N 1 2 369.820 4.061 20 10 FICDLO CCS[C@@H](C)c1noc(C[N@H+](C)Cc2cc3c(cc2O)CCCC3)n1 ZINC000160446164 1081782607 /nfs/dbraw/zinc/78/26/07/1081782607.db2.gz LEOCNFYSLXCSMW-ZDUSSCGKSA-N 1 2 361.511 4.100 20 10 FICDLO CCS[C@@H](C)c1noc(C[N@@H+](C)Cc2cc3c(cc2O)CCCC3)n1 ZINC000160446164 1081782613 /nfs/dbraw/zinc/78/26/13/1081782613.db2.gz LEOCNFYSLXCSMW-ZDUSSCGKSA-N 1 2 361.511 4.100 20 10 FICDLO C[C@H]([NH2+]CCCC1CCOCC1)c1cc(Br)cc(F)c1O ZINC000834818818 1082516563 /nfs/dbraw/zinc/51/65/63/1082516563.db2.gz PPZGIGUANTYUCA-NSHDSACASA-N 1 2 360.267 4.151 20 10 FICDLO C[C@@H]([NH2+]CC1(CCO)CCCCC1)c1cc(Br)cc(F)c1O ZINC000756650534 1085129768 /nfs/dbraw/zinc/12/97/68/1085129768.db2.gz YLQCQWLUOARBGM-GFCCVEGCSA-N 1 2 374.294 4.277 20 10 FICDLO COc1ccc(O)c([C@H](C)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c1 ZINC000363862915 1090417402 /nfs/dbraw/zinc/41/74/02/1090417402.db2.gz ZSRWTJVXPKKBBR-HNNXBMFYSA-N 1 2 361.445 4.489 20 10 FICDLO Cc1cc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c(C)n1-c1ccccn1 ZINC000162771834 1091471947 /nfs/dbraw/zinc/47/19/47/1091471947.db2.gz HXHQQFANOZQWSU-UHFFFAOYSA-N 1 2 357.417 4.132 20 10 FICDLO COC[C@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1O)c1ccc(C)o1 ZINC000756635326 1091645414 /nfs/dbraw/zinc/64/54/14/1091645414.db2.gz FRMQMVVSHJGNFE-HZMBPMFUSA-N 1 2 372.234 4.234 20 10 FICDLO COC1CCC(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)CC1 ZINC000756642663 1091733594 /nfs/dbraw/zinc/73/35/94/1091733594.db2.gz PYOZWOHNQYIMEE-ZBOXLXRLSA-N 1 2 360.267 4.150 20 10 FICDLO Cc1ccc(C)n1-c1ccc(C(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000729281262 1093956577 /nfs/dbraw/zinc/95/65/77/1093956577.db2.gz VJJAIINIEHMXKM-UHFFFAOYSA-N 1 2 362.477 4.111 20 10 FICDLO Oc1c(Br)cccc1CNc1[nH+]c2ccccc2n1C1CC1 ZINC000763425653 1122539443 /nfs/dbraw/zinc/53/94/43/1122539443.db2.gz MBBHXPFKEMGWMZ-UHFFFAOYSA-N 1 2 358.239 4.451 20 10 FICDLO COc1ccccc1[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccccn1 ZINC000921938738 1125030421 /nfs/dbraw/zinc/03/04/21/1125030421.db2.gz ZSEMNPWRFRTREV-QHCPKHFHSA-N 1 2 360.457 4.294 20 10 FICDLO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(Cl)cc(C(C)=O)c2O)o1 ZINC000130999511 1125746046 /nfs/dbraw/zinc/74/60/46/1125746046.db2.gz MQFKNNODDZRBNY-KRWDZBQOSA-N 1 2 363.841 4.325 20 10 FICDLO COCc1ccc([C@@H]2CCC[N@H+]2Cc2cc(Cl)cc(C(C)=O)c2O)o1 ZINC000130999511 1125746050 /nfs/dbraw/zinc/74/60/50/1125746050.db2.gz MQFKNNODDZRBNY-KRWDZBQOSA-N 1 2 363.841 4.325 20 10 FICDLO Cc1cccc(NC(=O)C[N@H+](Cc2ccco2)Cc2ccccc2O)c1C ZINC000070975118 1125755674 /nfs/dbraw/zinc/75/56/74/1125755674.db2.gz FADXISKINZTJEI-UHFFFAOYSA-N 1 2 364.445 4.243 20 10 FICDLO Cc1cccc(NC(=O)C[N@@H+](Cc2ccco2)Cc2ccccc2O)c1C ZINC000070975118 1125755679 /nfs/dbraw/zinc/75/56/79/1125755679.db2.gz FADXISKINZTJEI-UHFFFAOYSA-N 1 2 364.445 4.243 20 10 FICDLO CCN(CC)[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)c1ccsc1 ZINC001648789902 1080299204 /nfs/dbraw/zinc/29/92/04/1080299204.db2.gz SIJNRKGFUOGMOF-INIZCTEOSA-N 1 2 356.894 4.419 20 10 FICDLO Cc1cc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c(C)n1-c1cccc(C)c1 ZINC000728542724 1086165240 /nfs/dbraw/zinc/16/52/40/1086165240.db2.gz QUNDLFGCPWELKK-HXUWFJFHSA-N 1 2 362.477 4.076 20 10 FICDLO CC(C)OCc1nc([C@@H](C)[NH2+]Cc2cc(-c3ccccc3)ccc2O)no1 ZINC000290853645 1100161798 /nfs/dbraw/zinc/16/17/98/1100161798.db2.gz JGTQDXLEXSGXLQ-OAHLLOKOSA-N 1 2 367.449 4.218 20 10 FICDLO C[C@]1(c2ccc(Cl)cc2)C[N@H+](Cc2cc(F)c(F)cc2O)CCO1 ZINC001142527173 1102157238 /nfs/dbraw/zinc/15/72/38/1102157238.db2.gz NDCNBPFIURRDSU-GOSISDBHSA-N 1 2 353.796 4.071 20 10 FICDLO C[C@]1(c2ccc(Cl)cc2)C[N@@H+](Cc2cc(F)c(F)cc2O)CCO1 ZINC001142527173 1102157243 /nfs/dbraw/zinc/15/72/43/1102157243.db2.gz NDCNBPFIURRDSU-GOSISDBHSA-N 1 2 353.796 4.071 20 10 FICDLO Oc1c(Br)cc(Cl)cc1C[NH2+][C@H](c1ccncc1)C1CC1 ZINC000898318563 1102202015 /nfs/dbraw/zinc/20/20/15/1102202015.db2.gz RYHRCPDGLCPYOY-HNNXBMFYSA-N 1 2 367.674 4.444 20 10 FICDLO Oc1ccccc1C[N@H+](Cc1ccco1)Cc1nc2cc(F)ccc2o1 ZINC000151239281 1114322948 /nfs/dbraw/zinc/32/29/48/1114322948.db2.gz SSPXSMSVXWVMQG-UHFFFAOYSA-N 1 2 352.365 4.468 20 10 FICDLO Oc1ccccc1C[N@@H+](Cc1ccco1)Cc1nc2cc(F)ccc2o1 ZINC000151239281 1114322952 /nfs/dbraw/zinc/32/29/52/1114322952.db2.gz SSPXSMSVXWVMQG-UHFFFAOYSA-N 1 2 352.365 4.468 20 10 FICDLO COc1cc(C)cc(C[N@@H+]2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c1O ZINC000164274802 1114446852 /nfs/dbraw/zinc/44/68/52/1114446852.db2.gz NNJHFYMVQZURRL-GOSISDBHSA-N 1 2 365.832 4.075 20 10 FICDLO COc1cc(C)cc(C[N@H+]2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c1O ZINC000164274802 1114446854 /nfs/dbraw/zinc/44/68/54/1114446854.db2.gz NNJHFYMVQZURRL-GOSISDBHSA-N 1 2 365.832 4.075 20 10 FICDLO C[C@@H](c1nnc(Sc2nccs2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000914862628 1120593852 /nfs/dbraw/zinc/59/38/52/1120593852.db2.gz LEVIVYFQLZTVNG-AWEZNQCLSA-N 1 2 371.535 4.422 20 10 FICDLO C[C@H](c1nnc(Sc2nccs2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000914862630 1120594338 /nfs/dbraw/zinc/59/43/38/1120594338.db2.gz LEVIVYFQLZTVNG-CQSZACIVSA-N 1 2 371.535 4.422 20 10 FICDLO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cn1nnc2ccccc2c1=S ZINC000917487165 1122332612 /nfs/dbraw/zinc/33/26/12/1122332612.db2.gz SYPUCAQEMYIQHS-UHFFFAOYSA-N 1 2 367.522 4.095 20 10 FICDLO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cn1nnc2ccccc2c1=S ZINC000917487165 1122332620 /nfs/dbraw/zinc/33/26/20/1122332620.db2.gz SYPUCAQEMYIQHS-UHFFFAOYSA-N 1 2 367.522 4.095 20 10 FICDLO CO[C@H](C)c1nc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)cs1 ZINC000175051223 1123724303 /nfs/dbraw/zinc/72/43/03/1123724303.db2.gz RAZPZGOYJVSNBK-MRXNPFEDSA-N 1 2 359.539 4.473 20 10 FICDLO CO[C@H](C)c1nc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)cs1 ZINC000175051223 1123724307 /nfs/dbraw/zinc/72/43/07/1123724307.db2.gz RAZPZGOYJVSNBK-MRXNPFEDSA-N 1 2 359.539 4.473 20 10 FICDLO CCN(CC)[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)c1ccsc1 ZINC001648789903 1080299581 /nfs/dbraw/zinc/29/95/81/1080299581.db2.gz SIJNRKGFUOGMOF-MRXNPFEDSA-N 1 2 356.894 4.419 20 10 FICDLO Cc1cc(C[N@H+]2C[C@H](C)O[C@H](C(F)(F)F)C2)ccc1N1CCCCC1 ZINC001167490635 1083079954 /nfs/dbraw/zinc/07/99/54/1083079954.db2.gz FRHCCZBCRCSEPN-YJBOKZPZSA-N 1 2 356.432 4.137 20 10 FICDLO Cc1cc(C[N@@H+]2C[C@H](C)O[C@H](C(F)(F)F)C2)ccc1N1CCCCC1 ZINC001167490635 1083079959 /nfs/dbraw/zinc/07/99/59/1083079959.db2.gz FRHCCZBCRCSEPN-YJBOKZPZSA-N 1 2 356.432 4.137 20 10 FICDLO COc1ccc(N2CC[NH+](Cc3nc(-c4ccccc4)cs3)CC2)cc1 ZINC000197266002 1091723433 /nfs/dbraw/zinc/72/34/33/1091723433.db2.gz NLFLGBXEOYYPRB-UHFFFAOYSA-N 1 2 365.502 4.141 20 10 FICDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)c1 ZINC000279524139 1091918182 /nfs/dbraw/zinc/91/81/82/1091918182.db2.gz OOQMUELZHRFEBN-BDAKNGLRSA-N 1 2 374.384 4.066 20 10 FICDLO COc1ccc(C[N@H+](C)Cc2ccccc2Br)c(O)c1Cl ZINC001236801674 1125076964 /nfs/dbraw/zinc/07/69/64/1125076964.db2.gz LFVXQZQFOULHAU-UHFFFAOYSA-N 1 2 370.674 4.449 20 10 FICDLO COc1ccc(C[N@@H+](C)Cc2ccccc2Br)c(O)c1Cl ZINC001236801674 1125076973 /nfs/dbraw/zinc/07/69/73/1125076973.db2.gz LFVXQZQFOULHAU-UHFFFAOYSA-N 1 2 370.674 4.449 20 10 FICDLO CCO[C@@H](C)c1nc(C[N@H+](C)Cc2cc3c(cc2O)CCCC3)cs1 ZINC000160300683 1081018823 /nfs/dbraw/zinc/01/88/23/1081018823.db2.gz NKQNTCJORWBZCL-AWEZNQCLSA-N 1 2 360.523 4.457 20 10 FICDLO CCO[C@@H](C)c1nc(C[N@@H+](C)Cc2cc3c(cc2O)CCCC3)cs1 ZINC000160300683 1081018830 /nfs/dbraw/zinc/01/88/30/1081018830.db2.gz NKQNTCJORWBZCL-AWEZNQCLSA-N 1 2 360.523 4.457 20 10 FICDLO CC[C@@H](C)NC(=O)c1cccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)c1 ZINC001648821976 1081249603 /nfs/dbraw/zinc/24/96/03/1081249603.db2.gz KMNIKZHDGAUROP-GFCCVEGCSA-N 1 2 364.848 4.003 20 10 FICDLO C[C@H]([NH2+]CCC[C@H]1CCCC[C@H]1O)c1cc(Br)c(F)cc1O ZINC000756760265 1085783704 /nfs/dbraw/zinc/78/37/04/1085783704.db2.gz QIMNCTRQIVQEII-HWWQOWPSSA-N 1 2 374.294 4.276 20 10 FICDLO Oc1c(Br)cc(Cl)cc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC001141373102 1086452486 /nfs/dbraw/zinc/45/24/86/1086452486.db2.gz NFOAGJQQEATBLB-LBPRGKRZSA-N 1 2 352.606 4.039 20 10 FICDLO Oc1c(Br)cc(Cl)cc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC001141373102 1086452479 /nfs/dbraw/zinc/45/24/79/1086452479.db2.gz NFOAGJQQEATBLB-LBPRGKRZSA-N 1 2 352.606 4.039 20 10 FICDLO COc1ccc2c(c1)CCCC[N@H+]2C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001168244259 1102599129 /nfs/dbraw/zinc/59/91/29/1102599129.db2.gz LPBHSYPUQYXLAR-QGZVFWFLSA-N 1 2 374.525 4.485 20 10 FICDLO COc1ccc2c(c1)CCCC[N@@H+]2C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001168244259 1102599135 /nfs/dbraw/zinc/59/91/35/1102599135.db2.gz LPBHSYPUQYXLAR-QGZVFWFLSA-N 1 2 374.525 4.485 20 10 FICDLO CN(C)c1ccc(C[N@@H+]2CCc3c(F)cc(Br)cc3C2)cc1 ZINC001168133650 1107396641 /nfs/dbraw/zinc/39/66/41/1107396641.db2.gz DJSCKOUMAWSJKA-UHFFFAOYSA-N 1 2 363.274 4.213 20 10 FICDLO CN(C)c1ccc(C[N@H+]2CCc3c(F)cc(Br)cc3C2)cc1 ZINC001168133650 1107396656 /nfs/dbraw/zinc/39/66/56/1107396656.db2.gz DJSCKOUMAWSJKA-UHFFFAOYSA-N 1 2 363.274 4.213 20 10 FICDLO COCCC1CC[NH+]([C@@H](C)c2cc(Br)cc(F)c2O)CC1 ZINC000527935276 1109870967 /nfs/dbraw/zinc/87/09/67/1109870967.db2.gz LFFPFXYISUYSJE-NSHDSACASA-N 1 2 360.267 4.103 20 10 FICDLO Cc1ncccc1C[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000527987951 1109887199 /nfs/dbraw/zinc/88/71/99/1109887199.db2.gz QQUJQLZJBNEUPE-SNVBAGLBSA-N 1 2 355.663 4.362 20 10 FICDLO CC(C)[C@@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1O)c1cnn(C)c1 ZINC000927071860 1111829963 /nfs/dbraw/zinc/82/99/63/1111829963.db2.gz VKRNGROAUYRKOD-MEBBXXQBSA-N 1 2 370.266 4.075 20 10 FICDLO CC1(c2nnc(-c3cccc(F)c3)o2)C[NH+](Cc2cccc(Cl)c2O)C1 ZINC000828048550 1112275921 /nfs/dbraw/zinc/27/59/21/1112275921.db2.gz PGNCKKLYYUHNHA-UHFFFAOYSA-N 1 2 373.815 4.008 20 10 FICDLO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1cccc(Cl)c1O ZINC000806138016 1119967661 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C[N@@H+](Cc1nc(C(F)(F)F)cs1)Cc1cc2c(cc1O)CCCC2 ZINC000160338160 1081426304 /nfs/dbraw/zinc/42/63/04/1081426304.db2.gz CKDBLKLTLUZSPO-UHFFFAOYSA-N 1 2 356.413 4.378 20 10 FICDLO Cc1ccc(N2C(=O)/C(=C\c3cccc4[nH+]ccn43)SC2=S)cc1 ZINC000255160422 1081532042 /nfs/dbraw/zinc/53/20/42/1081532042.db2.gz LSMTWOXJVPKGQU-RVDMUPIBSA-N 1 2 351.456 4.049 20 10 FICDLO COc1ccc(C)cc1C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC001648951181 1093955327 /nfs/dbraw/zinc/95/53/27/1093955327.db2.gz OSEIGHQJMVHXGH-UHFFFAOYSA-N 1 2 370.674 4.415 20 10 FICDLO CC[C@@H]([NH2+][C@@H](c1nccn1C)c1ccccc1F)c1ccc(C)cc1O ZINC000280175721 1094303208 /nfs/dbraw/zinc/30/32/08/1094303208.db2.gz RIYFZJCXLCTJKS-UYAOXDASSA-N 1 2 353.441 4.404 20 10 FICDLO C[C@@]1(c2ccc(Cl)cc2)C[N@H+](Cc2cc(F)c(F)cc2O)CCO1 ZINC001142527174 1102157392 /nfs/dbraw/zinc/15/73/92/1102157392.db2.gz NDCNBPFIURRDSU-SFHVURJKSA-N 1 2 353.796 4.071 20 10 FICDLO C[C@@]1(c2ccc(Cl)cc2)C[N@@H+](Cc2cc(F)c(F)cc2O)CCO1 ZINC001142527174 1102157394 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Oc1c(Br)cc(Cl)cc1C[NH2+]CCOCc1ccccc1 ZINC000708156897 1085902796 /nfs/dbraw/zinc/90/27/96/1085902796.db2.gz KDWATPODNWEMRY-UHFFFAOYSA-N 1 2 370.674 4.115 20 10 FICDLO Cc1cc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000117027292 1088903925 /nfs/dbraw/zinc/90/39/25/1088903925.db2.gz XUUUUQZOIKCUEU-INIZCTEOSA-N 1 2 364.493 4.233 20 10 FICDLO CC[C@H]([NH2+][C@@H](c1nccn1C)c1ccccc1F)c1ccc(C)cc1O ZINC000280175708 1094301450 /nfs/dbraw/zinc/30/14/50/1094301450.db2.gz RIYFZJCXLCTJKS-AZUAARDMSA-N 1 2 353.441 4.404 20 10 FICDLO C[C@H](c1ccccc1)[N@H+](Cc1nnc2n1CCCC2)Cc1ccccc1O ZINC000271996894 1096147257 /nfs/dbraw/zinc/14/72/57/1096147257.db2.gz HJYVWDDOLMSFBV-QGZVFWFLSA-N 1 2 362.477 4.083 20 10 FICDLO C[C@H](c1ccccc1)[N@@H+](Cc1nnc2n1CCCC2)Cc1ccccc1O ZINC000271996894 1096147265 /nfs/dbraw/zinc/14/72/65/1096147265.db2.gz HJYVWDDOLMSFBV-QGZVFWFLSA-N 1 2 362.477 4.083 20 10 FICDLO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)c1O ZINC000184880846 1101674491 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CCN(CC)c1ccc(C[NH2+]Cc2cc(COC(C)(C)C)on2)cc1F ZINC000186429686 1122218039 /nfs/dbraw/zinc/21/80/39/1122218039.db2.gz IHAWRLUPNFQNDH-UHFFFAOYSA-N 1 2 363.477 4.265 20 10 FICDLO COCc1ccc([C@H]2CCC[N@@H+]2Cc2cc(Cl)cc(C(C)=O)c2O)o1 ZINC000130999333 1125747158 /nfs/dbraw/zinc/74/71/58/1125747158.db2.gz MQFKNNODDZRBNY-QGZVFWFLSA-N 1 2 363.841 4.325 20 10 FICDLO COCc1ccc([C@H]2CCC[N@H+]2Cc2cc(Cl)cc(C(C)=O)c2O)o1 ZINC000130999333 1125747165 /nfs/dbraw/zinc/74/71/65/1125747165.db2.gz MQFKNNODDZRBNY-QGZVFWFLSA-N 1 2 363.841 4.325 20 10 FICDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC001648789767 1080274434 /nfs/dbraw/zinc/27/44/34/1080274434.db2.gz OWNLRIJPBIDCBV-UHFFFAOYSA-N 1 2 350.821 4.191 20 10 FICDLO Cc1ccsc1[C@H](CO)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000756737628 1085673047 /nfs/dbraw/zinc/67/30/47/1085673047.db2.gz WXZQIVZSHOAUKU-RNCFNFMXSA-N 1 2 374.275 4.048 20 10 FICDLO COCCC1CC[NH+](Cc2cc(Cl)cc(Br)c2O)CC1 ZINC000708216912 1086275288 /nfs/dbraw/zinc/27/52/88/1086275288.db2.gz VWTPRXOGHOTZPX-UHFFFAOYSA-N 1 2 362.695 4.057 20 10 FICDLO Oc1c(Br)cc(Cl)cc1C[N@@H+]1CCCC(F)(F)CC1 ZINC000708214492 1086273167 /nfs/dbraw/zinc/27/31/67/1086273167.db2.gz ASQOIEYJTAYZEZ-UHFFFAOYSA-N 1 2 354.622 4.429 20 10 FICDLO Oc1c(Br)cc(Cl)cc1C[N@H+]1CCCC(F)(F)CC1 ZINC000708214492 1086273193 /nfs/dbraw/zinc/27/31/93/1086273193.db2.gz ASQOIEYJTAYZEZ-UHFFFAOYSA-N 1 2 354.622 4.429 20 10 FICDLO Cc1ccc2c(c1)[nH]cc2C1=CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000434094168 1094323987 /nfs/dbraw/zinc/32/39/87/1094323987.db2.gz STCSOLFDBDCYSY-UHFFFAOYSA-N 1 2 359.477 4.160 20 10 FICDLO Cc1ccc2c(c1)[nH]cc2C1=CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000434094168 1094323998 /nfs/dbraw/zinc/32/39/98/1094323998.db2.gz STCSOLFDBDCYSY-UHFFFAOYSA-N 1 2 359.477 4.160 20 10 FICDLO CO[C@@](C)([C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O)C1CC1 ZINC000840859778 1106853225 /nfs/dbraw/zinc/85/32/25/1106853225.db2.gz KJUVZEMOBZXSMX-PUTJDCORSA-N 1 2 360.267 4.148 20 10 FICDLO Cc1cc2ccccc2[nH+]c1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000301567388 1107072123 /nfs/dbraw/zinc/07/21/23/1107072123.db2.gz MOQSKAHJMNZFOC-UHFFFAOYSA-N 1 2 365.452 4.256 20 10 FICDLO OCCSCc1cc[nH+]c(NCc2cc(-c3ccccc3)ccc2O)c1 ZINC000763518868 1125418668 /nfs/dbraw/zinc/41/86/68/1125418668.db2.gz WKQIBHYCRLFJNT-UHFFFAOYSA-N 1 2 366.486 4.292 20 10 FICDLO CO[C@@H](C[NH2+]Cc1cc(Cl)cc(Br)c1O)c1ccccc1 ZINC001648898639 1081356139 /nfs/dbraw/zinc/35/61/39/1081356139.db2.gz SLILAGRAPUTWJD-HNNXBMFYSA-N 1 2 370.674 4.285 20 10 FICDLO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)c1O ZINC000184880863 1101673700 /nfs/dbraw/zinc/67/37/00/1101673700.db2.gz UPFKCHDJPRCQLM-GFCCVEGCSA-N 1 2 354.381 4.240 20 10 FICDLO C[C@H]([NH2+][C@@H](c1nccn1C)c1cccc(F)c1)c1cc(Cl)ccc1O ZINC000184959339 1101684120 /nfs/dbraw/zinc/68/41/20/1101684120.db2.gz KPRSHBMLGATCDC-KPZWWZAWSA-N 1 2 359.832 4.358 20 10 FICDLO Cc1cc(N(C)C)ccc1C[N@@H+]1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC001204721045 1114953540 /nfs/dbraw/zinc/95/35/40/1114953540.db2.gz HPDMSOFNSWHTQH-MRXNPFEDSA-N 1 2 350.915 4.349 20 10 FICDLO Cc1cc(N(C)C)ccc1C[N@H+]1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC001204721045 1114953542 /nfs/dbraw/zinc/95/35/42/1114953542.db2.gz HPDMSOFNSWHTQH-MRXNPFEDSA-N 1 2 350.915 4.349 20 10 FICDLO COc1ccc(N2CC[NH+]([C@@H](C)c3ncc(-c4ccccc4)o3)CC2)cc1 ZINC000152088245 1119083219 /nfs/dbraw/zinc/08/32/19/1119083219.db2.gz IYSJMXFQIUIMER-KRWDZBQOSA-N 1 2 363.461 4.233 20 10 FICDLO C[C@@H]([NH2+]CCOCC1CCC1)c1cc(Br)cc(Cl)c1O ZINC000765809848 1122094170 /nfs/dbraw/zinc/09/41/70/1122094170.db2.gz OOQRNJJXCWTQSV-SNVBAGLBSA-N 1 2 362.695 4.275 20 10 FICDLO C[C@@H]([NH2+]CCCC1CCOCC1)c1cc(Br)cc(F)c1O ZINC000834818816 1082516663 /nfs/dbraw/zinc/51/66/63/1082516663.db2.gz PPZGIGUANTYUCA-LLVKDONJSA-N 1 2 360.267 4.151 20 10 FICDLO Cc1cc(CC(=O)Nc2c(C)c[nH+]cc2C)c(C)n1-c1ccc(Cl)cc1 ZINC001625884830 1084712130 /nfs/dbraw/zinc/71/21/30/1084712130.db2.gz UYDLWMUKEFLOHG-UHFFFAOYSA-N 1 2 367.880 4.362 20 10 FICDLO C[C@H]([NH2+]CCC[C@@H]1CCCC[C@@H]1O)c1cc(Br)cc(F)c1O ZINC000756760953 1085790070 /nfs/dbraw/zinc/79/00/70/1085790070.db2.gz SITHRGIQBRZNCO-MKBNYLNASA-N 1 2 374.294 4.276 20 10 FICDLO Oc1c(Br)cc(Cl)cc1C[NH+]1CCC(OC2CCC2)CC1 ZINC001141367828 1086396934 /nfs/dbraw/zinc/39/69/34/1086396934.db2.gz SBJVCZLADCRSBC-UHFFFAOYSA-N 1 2 374.706 4.342 20 10 FICDLO Cc1ccc2[nH+]cc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)n2c1 ZINC000178766216 1093351420 /nfs/dbraw/zinc/35/14/20/1093351420.db2.gz DYUUMYFNGAALQH-NVNXTCNLSA-N 1 2 369.446 4.188 20 10 FICDLO CN(C)c1ccc(C[N@H+](C)Cc2cc(F)c(F)cc2Br)cc1 ZINC001142015465 1106823279 /nfs/dbraw/zinc/82/32/79/1106823279.db2.gz OKFBVQKXWAAABT-UHFFFAOYSA-N 1 2 369.253 4.425 20 10 FICDLO CN(C)c1ccc(C[N@@H+](C)Cc2cc(F)c(F)cc2Br)cc1 ZINC001142015465 1106823293 /nfs/dbraw/zinc/82/32/93/1106823293.db2.gz OKFBVQKXWAAABT-UHFFFAOYSA-N 1 2 369.253 4.425 20 10 FICDLO Cc1cc(C(=O)NCCCn2cc[nH+]c2)c(C)n1-c1cccc(C(C)C)c1 ZINC000302996838 1107509444 /nfs/dbraw/zinc/50/94/44/1107509444.db2.gz KEZYAYXBNROHLN-UHFFFAOYSA-N 1 2 364.493 4.234 20 10 FICDLO C[C@@H]([NH2+]CCC[C@@H]1CCCCO1)c1cc(Br)c(F)cc1O ZINC000760904847 1115169793 /nfs/dbraw/zinc/16/97/93/1115169793.db2.gz DFDJIOBAFRRJSR-NEPJUHHUSA-N 1 2 360.267 4.294 20 10 FICDLO C[C@H]([NH2+]CCC[C@@H]1CCCCO1)c1cc(Br)c(F)cc1O ZINC000760904850 1115169844 /nfs/dbraw/zinc/16/98/44/1115169844.db2.gz DFDJIOBAFRRJSR-RYUDHWBXSA-N 1 2 360.267 4.294 20 10 FICDLO C[N@H+](Cc1nc(Br)cs1)Cc1ccc(N2CCCC2)cc1 ZINC001137780228 1116136921 /nfs/dbraw/zinc/13/69/21/1116136921.db2.gz YKNYEMOTBMKSIV-UHFFFAOYSA-N 1 2 366.328 4.138 20 10 FICDLO C[N@@H+](Cc1nc(Br)cs1)Cc1ccc(N2CCCC2)cc1 ZINC001137780228 1116136923 /nfs/dbraw/zinc/13/69/23/1116136923.db2.gz YKNYEMOTBMKSIV-UHFFFAOYSA-N 1 2 366.328 4.138 20 10 FICDLO COc1ccc(C[N@H+](C)Cc2cc(Cl)cc(C(C)=O)c2O)cc1F ZINC000324436893 1120994280 /nfs/dbraw/zinc/99/42/80/1120994280.db2.gz COXCUEPAHSJPBP-UHFFFAOYSA-N 1 2 351.805 4.028 20 10 FICDLO COc1ccc(C[N@@H+](C)Cc2cc(Cl)cc(C(C)=O)c2O)cc1F ZINC000324436893 1120994281 /nfs/dbraw/zinc/99/42/81/1120994281.db2.gz COXCUEPAHSJPBP-UHFFFAOYSA-N 1 2 351.805 4.028 20 10 FICDLO COCC[N@H+](Cc1cccs1)Cc1cc(Br)cc(F)c1O ZINC001205163270 1121198808 /nfs/dbraw/zinc/19/88/08/1121198808.db2.gz YHXHRUSOEFBGOL-UHFFFAOYSA-N 1 2 374.275 4.004 20 10 FICDLO COCC[N@@H+](Cc1cccs1)Cc1cc(Br)cc(F)c1O ZINC001205163270 1121198812 /nfs/dbraw/zinc/19/88/12/1121198812.db2.gz YHXHRUSOEFBGOL-UHFFFAOYSA-N 1 2 374.275 4.004 20 10 FICDLO C[N@H+](Cc1nccn1C(F)F)Cc1ccc(OCc2ccccc2)cc1O ZINC000182993719 1125713149 /nfs/dbraw/zinc/71/31/49/1125713149.db2.gz WHOFHIPKOANXST-UHFFFAOYSA-N 1 2 373.403 4.195 20 10 FICDLO C[N@@H+](Cc1nccn1C(F)F)Cc1ccc(OCc2ccccc2)cc1O ZINC000182993719 1125713154 /nfs/dbraw/zinc/71/31/54/1125713154.db2.gz WHOFHIPKOANXST-UHFFFAOYSA-N 1 2 373.403 4.195 20 10 FICDLO CCO[C@H](C)c1nc(C[N@H+](C)Cc2cc3c(cc2O)CCCC3)cs1 ZINC000160300810 1081018277 /nfs/dbraw/zinc/01/82/77/1081018277.db2.gz NKQNTCJORWBZCL-CQSZACIVSA-N 1 2 360.523 4.457 20 10 FICDLO CCO[C@H](C)c1nc(C[N@@H+](C)Cc2cc3c(cc2O)CCCC3)cs1 ZINC000160300810 1081018284 /nfs/dbraw/zinc/01/82/84/1081018284.db2.gz NKQNTCJORWBZCL-CQSZACIVSA-N 1 2 360.523 4.457 20 10 FICDLO CCCc1ncc(C[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)o1 ZINC000834900713 1082658409 /nfs/dbraw/zinc/65/84/09/1082658409.db2.gz SNZUACMZSSXCJI-VIFPVBQESA-N 1 2 357.223 4.085 20 10 FICDLO CC[C@H](c1cc(Cl)cc(Cl)c1O)N1CCc2sc(C[NH3+])nc2C1 ZINC000925749942 1086062050 /nfs/dbraw/zinc/06/20/50/1086062050.db2.gz BIEGFBRFGNPBRO-CYBMUJFWSA-N 1 2 372.321 4.124 20 10 FICDLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC001167799040 1086425930 /nfs/dbraw/zinc/42/59/30/1086425930.db2.gz TYCXLWMFIXXMOT-JOCHJYFZSA-N 1 2 366.505 4.331 20 10 FICDLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC001167799040 1086425938 /nfs/dbraw/zinc/42/59/38/1086425938.db2.gz TYCXLWMFIXXMOT-JOCHJYFZSA-N 1 2 366.505 4.331 20 10 FICDLO COC(=O)[C@H](c1ccccc1)[N@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC001167799041 1086426330 /nfs/dbraw/zinc/42/63/30/1086426330.db2.gz TYCXLWMFIXXMOT-QFIPXVFZSA-N 1 2 366.505 4.331 20 10 FICDLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC001167799041 1086426333 /nfs/dbraw/zinc/42/63/33/1086426333.db2.gz TYCXLWMFIXXMOT-QFIPXVFZSA-N 1 2 366.505 4.331 20 10 FICDLO Fc1cc(C[NH+](Cc2ccco2)Cc2ccco2)ccc1N1CCOCC1 ZINC000162565206 1087962219 /nfs/dbraw/zinc/96/22/19/1087962219.db2.gz NODHSBZVTCVSEQ-UHFFFAOYSA-N 1 2 370.424 4.051 20 10 FICDLO C[C@@H]([NH2+]CC1(O)CCCCCC1)c1cc(Br)cc(F)c1O ZINC000756592046 1091283524 /nfs/dbraw/zinc/28/35/24/1091283524.db2.gz SGUMHEKSIMWPKJ-LLVKDONJSA-N 1 2 360.267 4.030 20 10 FICDLO C[N@H+](Cc1nc(-c2ccsc2)no1)Cc1ccc(N2CCCCC2)cc1 ZINC000015571657 1094397901 /nfs/dbraw/zinc/39/79/01/1094397901.db2.gz PSKBTAVTIZJAPY-UHFFFAOYSA-N 1 2 368.506 4.420 20 10 FICDLO C[N@@H+](Cc1nc(-c2ccsc2)no1)Cc1ccc(N2CCCCC2)cc1 ZINC000015571657 1094397920 /nfs/dbraw/zinc/39/79/20/1094397920.db2.gz PSKBTAVTIZJAPY-UHFFFAOYSA-N 1 2 368.506 4.420 20 10 FICDLO COc1ccc(-n2c(C)cc(C(=O)NCc3cc(C)[nH+]c(C)c3)c2C)cc1 ZINC001142506735 1102044317 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CC(C)CO[C@H](C)c1noc(C[N@H+](C)Cc2cc3c(cc2O)CCCC3)n1 ZINC000160333034 1081413014 /nfs/dbraw/zinc/41/30/14/1081413014.db2.gz NQNIJPREJSAJKP-OAHLLOKOSA-N 1 2 373.497 4.020 20 10 FICDLO CC(C)CO[C@H](C)c1noc(C[N@@H+](C)Cc2cc3c(cc2O)CCCC3)n1 ZINC000160333034 1081413024 /nfs/dbraw/zinc/41/30/24/1081413024.db2.gz NQNIJPREJSAJKP-OAHLLOKOSA-N 1 2 373.497 4.020 20 10 FICDLO COc1ccc(C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)c(C)c1 ZINC000756758359 1085770989 /nfs/dbraw/zinc/77/09/89/1085770989.db2.gz DOJPRCKUOGNHKS-LLVKDONJSA-N 1 2 368.246 4.462 20 10 FICDLO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000756531906 1090930843 /nfs/dbraw/zinc/93/08/43/1090930843.db2.gz BLDIZNVAFBIZBJ-DTWKUNHWSA-N 1 2 372.694 4.262 20 10 FICDLO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000756531908 1090930904 /nfs/dbraw/zinc/93/09/04/1090930904.db2.gz BLDIZNVAFBIZBJ-IUCAKERBSA-N 1 2 372.694 4.262 20 10 FICDLO Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000729343287 1093967970 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COc1cc(Cl)cc(C[N@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)c1O ZINC000761202793 1115619160 /nfs/dbraw/zinc/61/91/60/1115619160.db2.gz MCTDIRHCIRWWKD-SFHVURJKSA-N 1 2 365.832 4.075 20 10 FICDLO CN(C)c1ccc(N=Nc2ccccc2C(=O)OCCn2cc[nH+]c2)cc1 ZINC000763107026 1121119649 /nfs/dbraw/zinc/11/96/49/1121119649.db2.gz CIGKUYQMVONMAK-UHFFFAOYSA-N 1 2 363.421 4.222 20 10 FICDLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@@H](C(F)(F)F)C2)ccc1N1CCCCC1 ZINC001167490632 1083079924 /nfs/dbraw/zinc/07/99/24/1083079924.db2.gz FRHCCZBCRCSEPN-CRAIPNDOSA-N 1 2 356.432 4.137 20 10 FICDLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C(F)(F)F)C2)ccc1N1CCCCC1 ZINC001167490632 1083079929 /nfs/dbraw/zinc/07/99/29/1083079929.db2.gz FRHCCZBCRCSEPN-CRAIPNDOSA-N 1 2 356.432 4.137 20 10 FICDLO COCC1=CC[N@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000588513415 1084885731 /nfs/dbraw/zinc/88/57/31/1084885731.db2.gz LRIAFFHQFMLBIN-UHFFFAOYSA-N 1 2 364.449 4.319 20 10 FICDLO COCC1=CC[N@@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000588513415 1084885733 /nfs/dbraw/zinc/88/57/33/1084885733.db2.gz LRIAFFHQFMLBIN-UHFFFAOYSA-N 1 2 364.449 4.319 20 10 FICDLO COc1cc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)cc(C(F)(F)F)c1 ZINC001143519905 1085940045 /nfs/dbraw/zinc/94/00/45/1085940045.db2.gz YXJMRTSZIAFWMF-UHFFFAOYSA-N 1 2 367.367 4.074 20 10 FICDLO COc1cc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)cc(C(F)(F)F)c1 ZINC001143519905 1085940050 /nfs/dbraw/zinc/94/00/50/1085940050.db2.gz YXJMRTSZIAFWMF-UHFFFAOYSA-N 1 2 367.367 4.074 20 10 FICDLO COc1ccccc1C[C@H](C)[N@H+](C)Cc1cccc(Br)c1O ZINC000317340646 1086642438 /nfs/dbraw/zinc/64/24/38/1086642438.db2.gz FZVNEVDVIVGIQW-ZDUSSCGKSA-N 1 2 364.283 4.226 20 10 FICDLO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1cccc(Br)c1O ZINC000317340646 1086642447 /nfs/dbraw/zinc/64/24/47/1086642447.db2.gz FZVNEVDVIVGIQW-ZDUSSCGKSA-N 1 2 364.283 4.226 20 10 FICDLO COc1cc(O)c(C[N@H+](C)Cc2c(Cl)cccc2Cl)c(OC)c1 ZINC001141028141 1089838307 /nfs/dbraw/zinc/83/83/07/1089838307.db2.gz CJUFTWJOJQTAQD-UHFFFAOYSA-N 1 2 356.249 4.348 20 10 FICDLO COc1cc(O)c(C[N@@H+](C)Cc2c(Cl)cccc2Cl)c(OC)c1 ZINC001141028141 1089838330 /nfs/dbraw/zinc/83/83/30/1089838330.db2.gz CJUFTWJOJQTAQD-UHFFFAOYSA-N 1 2 356.249 4.348 20 10 FICDLO C[C@@H]([NH2+][C@H](c1nccn1C)c1cccc(F)c1)c1cc(Cl)ccc1O ZINC000184959318 1101684315 /nfs/dbraw/zinc/68/43/15/1101684315.db2.gz KPRSHBMLGATCDC-XIKOKIGWSA-N 1 2 359.832 4.358 20 10 FICDLO C[C@@H]([NH2+]C[C@H](C)c1nccs1)c1cc(Br)c(F)cc1O ZINC000757698419 1103508782 /nfs/dbraw/zinc/50/87/82/1103508782.db2.gz QVUQYISFWRMNGQ-DTWKUNHWSA-N 1 2 359.264 4.205 20 10 FICDLO CO[C@@](C)([C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(F)c1O)C1CC1 ZINC000840859777 1106851826 /nfs/dbraw/zinc/85/18/26/1106851826.db2.gz KJUVZEMOBZXSMX-LYGAQUJYSA-N 1 2 360.267 4.148 20 10 FICDLO Cc1c2ccccc2n(C)c1C[NH2+][C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000479458072 1112031140 /nfs/dbraw/zinc/03/11/40/1112031140.db2.gz SXXMBHTUMWDFBX-QFIPXVFZSA-N 1 2 362.452 4.239 20 10 FICDLO Cc1ccc2[nH+]cc(/C=C3/SC(=S)N(c4ccc(F)cc4)C3=O)n2c1 ZINC000151385542 1114356006 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FICDLO Cc1cc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c(C)n1-c1ccccc1C ZINC000728541785 1086149526 /nfs/dbraw/zinc/14/95/26/1086149526.db2.gz KLYQGWUPQAFGHT-IBGZPJMESA-N 1 2 362.477 4.076 20 10 FICDLO Oc1c(Br)cccc1C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000136720723 1086163250 /nfs/dbraw/zinc/16/32/50/1086163250.db2.gz ROESIDXRQBVSFU-AWEZNQCLSA-N 1 2 354.288 4.126 20 10 FICDLO Oc1c(F)cc(F)cc1C[NH2+][C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000708440887 1087139049 /nfs/dbraw/zinc/13/90/49/1087139049.db2.gz FHMOCKBXFODEOR-IBGZPJMESA-N 1 2 360.448 4.205 20 10 FICDLO CC(C)(C)OC(=O)N1CC[C@@]2([NH2+]Cc3cccc(Cl)c3O)CCC[C@@H]12 ZINC000711603220 1087915065 /nfs/dbraw/zinc/91/50/65/1087915065.db2.gz YYQIVMZWLJXDNK-BEFAXECRSA-N 1 2 366.889 4.067 20 10 FICDLO Cc1ccc(C[NH2+][C@H](C)c2cc(Br)cc(Cl)c2O)cn1 ZINC000756419110 1090386055 /nfs/dbraw/zinc/38/60/55/1090386055.db2.gz SYQCSHNWRNCUMT-SNVBAGLBSA-N 1 2 355.663 4.362 20 10 FICDLO Cc1ncsc1C[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000756547357 1090986484 /nfs/dbraw/zinc/98/64/84/1090986484.db2.gz BIWWZJBBZNJBKG-SSDOTTSWSA-N 1 2 361.692 4.424 20 10 FICDLO OCC[C@@H]([NH2+]Cc1cccc(Cl)c1O)c1ccccc1Br ZINC000781926399 1091269864 /nfs/dbraw/zinc/26/98/64/1091269864.db2.gz GRWHUSSNDHEPLW-OAHLLOKOSA-N 1 2 370.674 4.021 20 10 FICDLO COc1cc(C)cc(C[NH2+][C@H](C)c2noc(-c3ccc(Cl)cc3)n2)c1O ZINC000894628265 1102653367 /nfs/dbraw/zinc/65/33/67/1102653367.db2.gz DPENISITDJGXTC-GFCCVEGCSA-N 1 2 373.840 4.263 20 10 FICDLO CO[C@@](C)([C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O)C1CC1 ZINC000840859775 1106850632 /nfs/dbraw/zinc/85/06/32/1106850632.db2.gz KJUVZEMOBZXSMX-IEVXNVSRSA-N 1 2 360.267 4.148 20 10 FICDLO C[C@H]([NH2+][C@@H](C)c1ncccc1F)c1cc(Br)cc(F)c1O ZINC000528036394 1109890118 /nfs/dbraw/zinc/89/01/18/1109890118.db2.gz QXXFEKPYMSIQIY-IUCAKERBSA-N 1 2 357.198 4.240 20 10 FICDLO COc1ccccc1[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccco1 ZINC000151134014 1114299699 /nfs/dbraw/zinc/29/96/99/1114299699.db2.gz GYVMCHMTZAAEEH-OAQYLSRUSA-N 1 2 354.425 4.373 20 10 FICDLO O=C(OCCCn1cc[nH+]c1)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC000763286281 1121317295 /nfs/dbraw/zinc/31/72/95/1121317295.db2.gz BQJINXMGNRRSRH-UHFFFAOYSA-N 1 2 350.378 4.251 20 10 FICDLO CCOCCCn1c2ccccc2[nH+]c1NCc1ccc(N(C)C)cc1 ZINC000763408300 1121577237 /nfs/dbraw/zinc/57/72/37/1121577237.db2.gz LYYWKVXLPQKEHP-UHFFFAOYSA-N 1 2 352.482 4.141 20 10 FICDLO CCCn1c(C)nnc1C[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000179647755 1124020944 /nfs/dbraw/zinc/02/09/44/1124020944.db2.gz OLNQIMKTLBEVBE-QGZVFWFLSA-N 1 2 364.493 4.466 20 10 FICDLO CCCn1c(C)nnc1C[N@@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000179647755 1124020953 /nfs/dbraw/zinc/02/09/53/1124020953.db2.gz OLNQIMKTLBEVBE-QGZVFWFLSA-N 1 2 364.493 4.466 20 10 FICDLO Oc1c(F)cc(Br)cc1C[NH2+]CCc1ccc(Cl)cc1 ZINC000715722994 1125049505 /nfs/dbraw/zinc/04/95/05/1125049505.db2.gz USPXWNVRQAZXTK-UHFFFAOYSA-N 1 2 358.638 4.280 20 10 FICDLO CC[N@H+](Cc1c(Cl)n(C)nc1C(F)(F)F)Cc1ccc(N(C)C)cc1 ZINC000782149945 1081231268 /nfs/dbraw/zinc/23/12/68/1081231268.db2.gz JSGRVQIXFBOYGZ-UHFFFAOYSA-N 1 2 374.838 4.180 20 10 FICDLO CC[N@@H+](Cc1c(Cl)n(C)nc1C(F)(F)F)Cc1ccc(N(C)C)cc1 ZINC000782149945 1081231272 /nfs/dbraw/zinc/23/12/72/1081231272.db2.gz JSGRVQIXFBOYGZ-UHFFFAOYSA-N 1 2 374.838 4.180 20 10 FICDLO CC(C)OC1CC[NH+](Cc2cc(Cl)cc(Br)c2O)CC1 ZINC000708074747 1085210414 /nfs/dbraw/zinc/21/04/14/1085210414.db2.gz DNIVZYJIILTQRW-UHFFFAOYSA-N 1 2 362.695 4.198 20 10 FICDLO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000756531910 1090931119 /nfs/dbraw/zinc/93/11/19/1090931119.db2.gz BLDIZNVAFBIZBJ-RKDXNWHRSA-N 1 2 372.694 4.262 20 10 FICDLO C[C@@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)c1cc(Br)c(F)cc1O ZINC000756536503 1090960713 /nfs/dbraw/zinc/96/07/13/1090960713.db2.gz WOXDVELOLLULNG-WDEREUQCSA-N 1 2 368.246 4.281 20 10 FICDLO CC[C@@H]([NH2+][C@H](c1nccn1C)c1ccccc1F)c1ccc(C)cc1O ZINC000280175716 1094301661 /nfs/dbraw/zinc/30/16/61/1094301661.db2.gz RIYFZJCXLCTJKS-QUCCMNQESA-N 1 2 353.441 4.404 20 10 FICDLO CCCn1c(C)nn(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)c1=S ZINC000760268014 1103068128 /nfs/dbraw/zinc/06/81/28/1103068128.db2.gz UKQATUAMFMZGNS-UHFFFAOYSA-N 1 2 361.559 4.067 20 10 FICDLO CCCn1c(C)nn(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)c1=S ZINC000760268014 1103068145 /nfs/dbraw/zinc/06/81/45/1103068145.db2.gz UKQATUAMFMZGNS-UHFFFAOYSA-N 1 2 361.559 4.067 20 10 FICDLO C[N@H+](Cc1csc(COc2ccc(F)cc2)n1)Cc1ccccc1O ZINC000171926805 1115889584 /nfs/dbraw/zinc/88/95/84/1115889584.db2.gz KPXWXHKBTLUOCP-UHFFFAOYSA-N 1 2 358.438 4.199 20 10 FICDLO C[N@@H+](Cc1csc(COc2ccc(F)cc2)n1)Cc1ccccc1O ZINC000171926805 1115889586 /nfs/dbraw/zinc/88/95/86/1115889586.db2.gz KPXWXHKBTLUOCP-UHFFFAOYSA-N 1 2 358.438 4.199 20 10 FICDLO Nc1ccc(CCc2ccc(Nc3ccc[nH+]c3N3CCOCC3)cc2)cc1 ZINC001212360291 1121280417 /nfs/dbraw/zinc/28/04/17/1121280417.db2.gz RAYHAWXTEKIMKA-UHFFFAOYSA-N 1 2 374.488 4.029 20 10 FICDLO Cc1cccc(C[NH+](Cc2cccc(C)n2)Cc2cc(F)ccc2O)n1 ZINC000180258144 1124280414 /nfs/dbraw/zinc/28/04/14/1124280414.db2.gz NBEWSQRMBDZDAK-UHFFFAOYSA-N 1 2 351.425 4.141 20 10 FICDLO Oc1c(Cl)cccc1C[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000763479948 1124366693 /nfs/dbraw/zinc/36/66/93/1124366693.db2.gz CWWLAQARVJAQTB-ICSRJNTNSA-N 1 2 363.860 4.048 20 10 FICDLO Oc1c(Cl)cccc1C[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000763479947 1124366933 /nfs/dbraw/zinc/36/69/33/1124366933.db2.gz CWWLAQARVJAQTB-AZUAARDMSA-N 1 2 363.860 4.048 20 10 FICDLO C[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccc(N2CCCCC2)cc1 ZINC000182879081 1125660219 /nfs/dbraw/zinc/66/02/19/1125660219.db2.gz GPJZAVAXLVNFNU-SFHVURJKSA-N 1 2 366.509 4.082 20 10 FICDLO CC(C)Cn1ncnc1C[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000182974774 1125709986 /nfs/dbraw/zinc/70/99/86/1125709986.db2.gz SJTGENPECBMBJV-GOSISDBHSA-N 1 2 364.493 4.403 20 10 FICDLO CC(C)Cn1ncnc1C[N@@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000182974774 1125709992 /nfs/dbraw/zinc/70/99/92/1125709992.db2.gz SJTGENPECBMBJV-GOSISDBHSA-N 1 2 364.493 4.403 20 10 FICDLO CC(=O)c1cc(F)cc(C[N@H+](C)Cc2cc(Br)cs2)c1O ZINC000050145437 1081854335 /nfs/dbraw/zinc/85/43/35/1081854335.db2.gz VKWKGNOQMZITHJ-UHFFFAOYSA-N 1 2 372.259 4.190 20 10 FICDLO CC(=O)c1cc(F)cc(C[N@@H+](C)Cc2cc(Br)cs2)c1O ZINC000050145437 1081854341 /nfs/dbraw/zinc/85/43/41/1081854341.db2.gz VKWKGNOQMZITHJ-UHFFFAOYSA-N 1 2 372.259 4.190 20 10 FICDLO CN(c1ccc(CNC(=O)c2cccc3[nH+]ccn32)cc1)C1CCCCC1 ZINC001625905495 1086070801 /nfs/dbraw/zinc/07/08/01/1086070801.db2.gz VIPMIIGAYPFMRN-UHFFFAOYSA-N 1 2 362.477 4.033 20 10 FICDLO C[C@H]([NH2+]Cc1ccc(F)cc1F)c1cc(Br)cc(F)c1O ZINC000756498759 1090599152 /nfs/dbraw/zinc/59/91/52/1090599152.db2.gz ZQATVABENUEKSY-QMMMGPOBSA-N 1 2 360.173 4.423 20 10 FICDLO Cc1ncsc1C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000756547360 1090987245 /nfs/dbraw/zinc/98/72/45/1090987245.db2.gz BIWWZJBBZNJBKG-ZETCQYMHSA-N 1 2 361.692 4.424 20 10 FICDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1CC2(CCOCC2)Oc2ccccc21 ZINC000895703526 1093675480 /nfs/dbraw/zinc/67/54/80/1093675480.db2.gz FBMWNNZHLXNCOM-QGZVFWFLSA-N 1 2 359.853 4.208 20 10 FICDLO COc1ccccc1[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ccccn1 ZINC000186193076 1101757907 /nfs/dbraw/zinc/75/79/07/1101757907.db2.gz DTHDPUIVICGISF-LHSJRXKWSA-N 1 2 352.409 4.375 20 10 FICDLO COc1cc(Cl)cc(C[N@@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)c1O ZINC000761202792 1115619329 /nfs/dbraw/zinc/61/93/29/1115619329.db2.gz MCTDIRHCIRWWKD-GOSISDBHSA-N 1 2 365.832 4.075 20 10 FICDLO COc1cc(Cl)cc(C[N@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)c1O ZINC000761202792 1115619331 /nfs/dbraw/zinc/61/93/31/1115619331.db2.gz MCTDIRHCIRWWKD-GOSISDBHSA-N 1 2 365.832 4.075 20 10 FICDLO Cc1cccn2c(/C=C3/SC(=S)N(c4ccc(F)cc4)C3=O)c[nH+]c12 ZINC000172691268 1115974387 /nfs/dbraw/zinc/97/43/87/1115974387.db2.gz LWOGDPUDRZYPLQ-OQLLNIDSSA-N 1 2 369.446 4.188 20 10 FICDLO C[C@@H]([NH2+]C1Cc2ccccc2C1)c1cc(Br)c(F)cc1O ZINC000762775611 1120961473 /nfs/dbraw/zinc/96/14/73/1120961473.db2.gz CENUEKUAKAKVSA-SNVBAGLBSA-N 1 2 350.231 4.112 20 10 FICDLO Cc1c([C@H](C)[NH2+][C@@H](C)c2cc(Br)cc(Cl)c2O)cnn1C ZINC001116584915 1124358139 /nfs/dbraw/zinc/35/81/39/1124358139.db2.gz NNOKGMCJKQSTLZ-IUCAKERBSA-N 1 2 372.694 4.262 20 10 FICDLO C[C@@H](Nc1ccc2c(c1)CCC[N@H+]2C)c1ccc(N2CCOCC2)c(F)c1 ZINC000182957278 1125702277 /nfs/dbraw/zinc/70/22/77/1125702277.db2.gz PZLQRGFKMIBTRP-MRXNPFEDSA-N 1 2 369.484 4.218 20 10 FICDLO C[C@@H](Nc1ccc2c(c1)CCC[N@@H+]2C)c1ccc(N2CCOCC2)c(F)c1 ZINC000182957278 1125702283 /nfs/dbraw/zinc/70/22/83/1125702283.db2.gz PZLQRGFKMIBTRP-MRXNPFEDSA-N 1 2 369.484 4.218 20 10 FICDLO C[C@H](Nc1ccc2c(c1)CCC[N@H+]2C)c1ccc(N2CCOCC2)c(F)c1 ZINC000182957258 1125702653 /nfs/dbraw/zinc/70/26/53/1125702653.db2.gz PZLQRGFKMIBTRP-INIZCTEOSA-N 1 2 369.484 4.218 20 10 FICDLO C[C@H](Nc1ccc2c(c1)CCC[N@@H+]2C)c1ccc(N2CCOCC2)c(F)c1 ZINC000182957258 1125702660 /nfs/dbraw/zinc/70/26/60/1125702660.db2.gz PZLQRGFKMIBTRP-INIZCTEOSA-N 1 2 369.484 4.218 20 10 FICDLO CCS[C@H](C)c1noc(C[N@H+](C)Cc2cc3c(cc2O)CCCC3)n1 ZINC000160446303 1081782656 /nfs/dbraw/zinc/78/26/56/1081782656.db2.gz LEOCNFYSLXCSMW-CYBMUJFWSA-N 1 2 361.511 4.100 20 10 FICDLO CCS[C@H](C)c1noc(C[N@@H+](C)Cc2cc3c(cc2O)CCCC3)n1 ZINC000160446303 1081782659 /nfs/dbraw/zinc/78/26/59/1081782659.db2.gz LEOCNFYSLXCSMW-CYBMUJFWSA-N 1 2 361.511 4.100 20 10 FICDLO Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756674915 1085279854 /nfs/dbraw/zinc/27/98/54/1085279854.db2.gz CWSJUUFXADDKME-WDEREUQCSA-N 1 2 353.235 4.409 20 10 FICDLO C[C@H]([NH2+]CCC[C@H]1CCCC[C@H]1O)c1cc(Br)cc(F)c1O ZINC000756760952 1085789653 /nfs/dbraw/zinc/78/96/53/1085789653.db2.gz SITHRGIQBRZNCO-HWWQOWPSSA-N 1 2 374.294 4.276 20 10 FICDLO CC(C)(C)c1csc(C[NH2+]Cc2cccc(Br)c2O)n1 ZINC000105498309 1086561598 /nfs/dbraw/zinc/56/15/98/1086561598.db2.gz NKSXSKFDDVJKQT-UHFFFAOYSA-N 1 2 355.301 4.199 20 10 FICDLO CN(C)c1ccc(C[N@H+](C)Cc2csc(COc3ccccc3)n2)cc1 ZINC000052440829 1086807490 /nfs/dbraw/zinc/80/74/90/1086807490.db2.gz DLKVFDYYNISYSC-UHFFFAOYSA-N 1 2 367.518 4.420 20 10 FICDLO CN(C)c1ccc(C[N@@H+](C)Cc2csc(COc3ccccc3)n2)cc1 ZINC000052440829 1086807505 /nfs/dbraw/zinc/80/75/05/1086807505.db2.gz DLKVFDYYNISYSC-UHFFFAOYSA-N 1 2 367.518 4.420 20 10 FICDLO CCc1nc(C[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)cs1 ZINC000756549539 1091001123 /nfs/dbraw/zinc/00/11/23/1091001123.db2.gz GKOXCWBVXNCZOH-QMMMGPOBSA-N 1 2 359.264 4.164 20 10 FICDLO Oc1c(Cl)cccc1C[NH2+][C@H]1CC2(CCOCC2)Oc2ccccc21 ZINC000895703525 1093675752 /nfs/dbraw/zinc/67/57/52/1093675752.db2.gz FBMWNNZHLXNCOM-KRWDZBQOSA-N 1 2 359.853 4.208 20 10 FICDLO Cc1c2ccccc2n(C)c1C[NH2+][C@H](c1ccc(F)cc1)c1cnccn1 ZINC000479457274 1112030631 /nfs/dbraw/zinc/03/06/31/1112030631.db2.gz VEHWNYWNLJAJOV-JOCHJYFZSA-N 1 2 360.436 4.295 20 10 FICDLO Cc1ccc2[nH+]cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)n2c1 ZINC000151385624 1114355869 /nfs/dbraw/zinc/35/58/69/1114355869.db2.gz CMBPDORPMGAQGL-OQLLNIDSSA-N 1 2 351.456 4.049 20 10 FICDLO COc1cc(Cl)cc(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c1O ZINC000761191060 1115611533 /nfs/dbraw/zinc/61/15/33/1115611533.db2.gz KABQOXZJMGXWBK-QGZVFWFLSA-N 1 2 368.260 4.281 20 10 FICDLO COc1cc(Cl)cc(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c1O ZINC000761191060 1115611534 /nfs/dbraw/zinc/61/15/34/1115611534.db2.gz KABQOXZJMGXWBK-QGZVFWFLSA-N 1 2 368.260 4.281 20 10 FICDLO CSc1c[nH]c2nc[nH+]c(NCc3cc(Cl)c4cccnc4c3O)c12 ZINC001168522411 1121970921 /nfs/dbraw/zinc/97/09/21/1121970921.db2.gz QNAUUUHUNXMUGP-UHFFFAOYSA-N 1 2 371.853 4.151 20 10 FICDLO Cc1c([C@@H](C)[NH2+][C@H](C)c2cc(Br)cc(Cl)c2O)cnn1C ZINC001116584916 1124357791 /nfs/dbraw/zinc/35/77/91/1124357791.db2.gz NNOKGMCJKQSTLZ-RKDXNWHRSA-N 1 2 372.694 4.262 20 10 FICDLO Oc1c(Cl)cccc1C[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000763479949 1124367107 /nfs/dbraw/zinc/36/71/07/1124367107.db2.gz CWWLAQARVJAQTB-QUCCMNQESA-N 1 2 363.860 4.048 20 10 FICDLO Oc1c(Cl)cc(Cl)cc1CNc1ccc(C[NH+]2CCOCC2)cc1 ZINC000120702946 1080473478 /nfs/dbraw/zinc/47/34/78/1080473478.db2.gz ABCXWMGCNKGBLR-UHFFFAOYSA-N 1 2 367.276 4.143 20 10 FICDLO Oc1c(Cl)cccc1C[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000194950120 1091435159 /nfs/dbraw/zinc/43/51/59/1091435159.db2.gz ZCKJKXJNHPELLK-UHFFFAOYSA-N 1 2 352.261 4.183 20 10 FICDLO Oc1cc2c(cc1O)C[N@H+](Cc1cc(OC(F)(F)F)ccc1F)CCC2 ZINC001143549904 1092874195 /nfs/dbraw/zinc/87/41/95/1092874195.db2.gz DDTLUIUVBYKPEB-UHFFFAOYSA-N 1 2 371.330 4.084 20 10 FICDLO Oc1cc2c(cc1O)C[N@@H+](Cc1cc(OC(F)(F)F)ccc1F)CCC2 ZINC001143549904 1092874201 /nfs/dbraw/zinc/87/42/01/1092874201.db2.gz DDTLUIUVBYKPEB-UHFFFAOYSA-N 1 2 371.330 4.084 20 10 FICDLO CO[C@@H](C)c1nc(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)cs1 ZINC000280906938 1095454899 /nfs/dbraw/zinc/45/48/99/1095454899.db2.gz OUIVMNCWPPQBKM-NSHDSACASA-N 1 2 373.444 4.225 20 10 FICDLO CC[C@H]([NH2+][C@@H](c1nccn1C)c1ccc(F)cc1F)c1ccccc1O ZINC000898108276 1102175236 /nfs/dbraw/zinc/17/52/36/1102175236.db2.gz ZUXUTMQYEZISEP-PKOBYXMFSA-N 1 2 357.404 4.234 20 10 FICDLO COc1ccc2c(c1)CCCC[N@H+]2C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001168244258 1102598810 /nfs/dbraw/zinc/59/88/10/1102598810.db2.gz LPBHSYPUQYXLAR-KRWDZBQOSA-N 1 2 374.525 4.485 20 10 FICDLO COc1ccc2c(c1)CCCC[N@@H+]2C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001168244258 1102598816 /nfs/dbraw/zinc/59/88/16/1102598816.db2.gz LPBHSYPUQYXLAR-KRWDZBQOSA-N 1 2 374.525 4.485 20 10 FICDLO COc1ccc(N2CC[NH+](Cc3nc(-c4cccs4)oc3C)CC2)cc1 ZINC000073386908 1121123621 /nfs/dbraw/zinc/12/36/21/1121123621.db2.gz HQAXFAIQIIDTLJ-UHFFFAOYSA-N 1 2 369.490 4.042 20 10 FICDLO COc1cc(CNc2ccc(-n3cc[nH+]c3)cc2)c(O)c(C(C)(C)C)c1 ZINC001648864383 1081326405 /nfs/dbraw/zinc/32/64/05/1081326405.db2.gz NDRBNPDJILMDJT-UHFFFAOYSA-N 1 2 351.450 4.496 20 10 FICDLO C[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1cc(Br)cc(F)c1O ZINC000756764092 1085814958 /nfs/dbraw/zinc/81/49/58/1085814958.db2.gz DJMRTCXSNYINFV-PWSUYJOCSA-N 1 2 358.251 4.046 20 10 FICDLO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000728537996 1086047257 /nfs/dbraw/zinc/04/72/57/1086047257.db2.gz GTUUSBDGRSLGMA-LJQANCHMSA-N 1 2 362.477 4.076 20 10 FICDLO Oc1c(Br)cccc1C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000136720682 1086163116 /nfs/dbraw/zinc/16/31/16/1086163116.db2.gz ROESIDXRQBVSFU-CQSZACIVSA-N 1 2 354.288 4.126 20 10 FICDLO CC(=O)c1cc(F)cc(C[NH2+][C@@H](c2nccs2)c2ccccc2)c1O ZINC000175611960 1101436429 /nfs/dbraw/zinc/43/64/29/1101436429.db2.gz MIPDFAQBMUANEB-QGZVFWFLSA-N 1 2 356.422 4.070 20 10 FICDLO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H](C)c2nc(C)no2)cc1 ZINC000729684585 1103099232 /nfs/dbraw/zinc/09/92/32/1103099232.db2.gz SPYAEPZPQHYEAX-MRXNPFEDSA-N 1 2 350.466 4.255 20 10 FICDLO C[C@@H]([NH2+]CCC[C@H]1CCCCO1)c1cc(Br)c(F)cc1O ZINC000760904855 1115169460 /nfs/dbraw/zinc/16/94/60/1115169460.db2.gz DFDJIOBAFRRJSR-VXGBXAGGSA-N 1 2 360.267 4.294 20 10 FICDLO Cn1ccc([C@@H]([NH2+]Cc2cc(Cl)ccc2O)c2ccc(Cl)cc2)n1 ZINC000762557924 1120928216 /nfs/dbraw/zinc/92/82/16/1120928216.db2.gz VQGNOSBOQWOZMA-SFHVURJKSA-N 1 2 362.260 4.312 20 10 FICDLO C[N@H+](Cc1ccn(-c2ccccc2)n1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000917480971 1122324027 /nfs/dbraw/zinc/32/40/27/1122324027.db2.gz STCKBBKRJYTWEC-UHFFFAOYSA-N 1 2 365.477 4.213 20 10 FICDLO C[N@@H+](Cc1ccn(-c2ccccc2)n1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000917480971 1122324032 /nfs/dbraw/zinc/32/40/32/1122324032.db2.gz STCKBBKRJYTWEC-UHFFFAOYSA-N 1 2 365.477 4.213 20 10 FICDLO Cc1nnc(C[N@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)n1C1CC1 ZINC000179647795 1124021056 /nfs/dbraw/zinc/02/10/56/1124021056.db2.gz LOSKIWAXLWHBII-MRXNPFEDSA-N 1 2 362.477 4.390 20 10 FICDLO Cc1nnc(C[N@@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)n1C1CC1 ZINC000179647795 1124021063 /nfs/dbraw/zinc/02/10/63/1124021063.db2.gz LOSKIWAXLWHBII-MRXNPFEDSA-N 1 2 362.477 4.390 20 10 FICDLO CCOc1ccc(N2CC[NH+](Cc3ncc(-c4ccccc4)o3)CC2)cc1 ZINC000197263736 521043126 /nfs/dbraw/zinc/04/31/26/521043126.db2.gz ZRQKJDKAHQCXQU-UHFFFAOYSA-N 1 2 363.461 4.063 20 10 FICDLO Cc1nc(CC[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)sc1C ZINC000756657606 1085167246 /nfs/dbraw/zinc/16/72/46/1085167246.db2.gz DMTXNIGUVDOXJZ-VIFPVBQESA-N 1 2 373.291 4.260 20 10 FICDLO CC(C)O[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708076230 1085209547 /nfs/dbraw/zinc/20/95/47/1085209547.db2.gz UNJCRRDBPBZWOP-CYBMUJFWSA-N 1 2 362.695 4.198 20 10 FICDLO CC(C)O[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708076230 1085209560 /nfs/dbraw/zinc/20/95/60/1085209560.db2.gz UNJCRRDBPBZWOP-CYBMUJFWSA-N 1 2 362.695 4.198 20 10 FICDLO Oc1c(Br)cc(Cl)cc1C[NH+]1CC(CC2CCOCC2)C1 ZINC001207349160 1086064510 /nfs/dbraw/zinc/06/45/10/1086064510.db2.gz ZMQLNFZNKZVEOW-UHFFFAOYSA-N 1 2 374.706 4.057 20 10 FICDLO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000708440889 1087138926 /nfs/dbraw/zinc/13/89/26/1087138926.db2.gz FHMOCKBXFODEOR-LJQANCHMSA-N 1 2 360.448 4.205 20 10 FICDLO Cc1ccc(C[NH2+][C@@H](C)c2cc(Br)cc(Cl)c2O)cn1 ZINC000756419107 1090385750 /nfs/dbraw/zinc/38/57/50/1090385750.db2.gz SYQCSHNWRNCUMT-JTQLQIEISA-N 1 2 355.663 4.362 20 10 FICDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)c1 ZINC000279524142 1091917708 /nfs/dbraw/zinc/91/77/08/1091917708.db2.gz OOQMUELZHRFEBN-RKDXNWHRSA-N 1 2 374.384 4.066 20 10 FICDLO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)c1ccc(Br)cn1 ZINC000281283591 1095515798 /nfs/dbraw/zinc/51/57/98/1095515798.db2.gz XRAKZPLEXMNHGF-DTWKUNHWSA-N 1 2 357.198 4.240 20 10 FICDLO C[C@H]([NH2+]CCOCC1CCC1)c1cc(Br)cc(Cl)c1O ZINC000765809846 1122094359 /nfs/dbraw/zinc/09/43/59/1122094359.db2.gz OOQRNJJXCWTQSV-JTQLQIEISA-N 1 2 362.695 4.275 20 10 FICDLO Oc1c(Cl)cccc1C[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000763479950 1124367063 /nfs/dbraw/zinc/36/70/63/1124367063.db2.gz CWWLAQARVJAQTB-UYAOXDASSA-N 1 2 363.860 4.048 20 10 FICDLO CO[C@H](C[NH2+]Cc1cc(Cl)cc(Br)c1O)c1ccccc1 ZINC001648898640 1081356017 /nfs/dbraw/zinc/35/60/17/1081356017.db2.gz SLILAGRAPUTWJD-OAHLLOKOSA-N 1 2 370.674 4.285 20 10 FICDLO CO[C@H](C)c1nc(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)cs1 ZINC000280906932 1095454924 /nfs/dbraw/zinc/45/49/24/1095454924.db2.gz OUIVMNCWPPQBKM-LLVKDONJSA-N 1 2 373.444 4.225 20 10 FICDLO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cn1)c1ccc(F)c(F)c1O ZINC000281283584 1095516681 /nfs/dbraw/zinc/51/66/81/1095516681.db2.gz XRAKZPLEXMNHGF-BDAKNGLRSA-N 1 2 357.198 4.240 20 10 FICDLO COc1ccccc1[C@@H]([NH2+][C@H](C)c1ccc(F)cc1O)c1ccccn1 ZINC000186193094 1101757205 /nfs/dbraw/zinc/75/72/05/1101757205.db2.gz DTHDPUIVICGISF-SPLOXXLWSA-N 1 2 352.409 4.375 20 10 FICDLO CC[C@@H]([NH2+][C@H](c1nccn1C)c1ccc(F)cc1F)c1ccccc1O ZINC000898108275 1102175078 /nfs/dbraw/zinc/17/50/78/1102175078.db2.gz ZUXUTMQYEZISEP-MJGOQNOKSA-N 1 2 357.404 4.234 20 10 FICDLO C[C@H]([NH2+]CC(C)(C)c1cccnc1)c1cc(Br)cc(F)c1O ZINC000840892335 1107698381 /nfs/dbraw/zinc/69/83/81/1107698381.db2.gz RAZQLSXMDLQEHD-NSHDSACASA-N 1 2 367.262 4.317 20 10 FICDLO c1ccn(-c2ccc(-c3nc(-c4cccc(Cn5cc[nH+]c5)c4)no3)cc2)c1 ZINC000761651876 1120014349 /nfs/dbraw/zinc/01/43/49/1120014349.db2.gz BOBFBDVCNFIYPH-UHFFFAOYSA-N 1 2 367.412 4.439 20 10 FICDLO CC(C)[N@H+](Cc1noc(-c2ccccc2)n1)Cc1ccc(N(C)C)cc1 ZINC000917075179 1122069723 /nfs/dbraw/zinc/06/97/23/1122069723.db2.gz RUFYFCALFRJPKI-UHFFFAOYSA-N 1 2 350.466 4.213 20 10 FICDLO CC(C)[N@@H+](Cc1noc(-c2ccccc2)n1)Cc1ccc(N(C)C)cc1 ZINC000917075179 1122069728 /nfs/dbraw/zinc/06/97/28/1122069728.db2.gz RUFYFCALFRJPKI-UHFFFAOYSA-N 1 2 350.466 4.213 20 10 FICDLO CCN(CC)c1ccc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC000917085154 1122088684 /nfs/dbraw/zinc/08/86/84/1122088684.db2.gz CEYXNCLCERMXHW-UHFFFAOYSA-N 1 2 372.476 4.274 20 10 FICDLO COc1ccccc1[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccccn1 ZINC000921938737 1125030665 /nfs/dbraw/zinc/03/06/65/1125030665.db2.gz ZSEMNPWRFRTREV-HSZRJFAPSA-N 1 2 360.457 4.294 20 10 FICDLO