smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1cncc(C[N@@H+]2CC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 ZINC000306141767 203792489 /nfs/dbraw/zinc/79/24/89/203792489.db2.gz WFSVJNVGVQKKMX-LJQANCHMSA-N 1 0 356.433 3.176 40 0 FGABRO C[NH+](C)CCNc1nc(Nc2ccc(OC(F)F)cc2)cc(C2CC2)n1 ZINC000328965609 203843891 /nfs/dbraw/zinc/84/38/91/203843891.db2.gz CENAZHUYUSKBFA-UHFFFAOYSA-N 1 0 363.412 3.094 40 0 FGABRO CCCOc1ccc(N2C(=O)C[C@H]([NH+]3C[C@H]4CCCC[C@@H]4C3)C2=O)cc1 ZINC000100237951 203811067 /nfs/dbraw/zinc/81/10/67/203811067.db2.gz SGNKJFGZXJBOKV-MDZRGWNJSA-N 1 0 356.466 3.229 40 0 FGABRO COc1ccc(CC[NH2+]C[C@H](O)CSc2ccc(C)cc2)cc1OC ZINC000008628053 204337289 /nfs/dbraw/zinc/33/72/89/204337289.db2.gz MJYLWFRVOQFGEO-KRWDZBQOSA-N 1 0 361.507 3.298 40 0 FGABRO COc1ccc2c(c1)C[C@@H](C(=O)NC1(C[NH+]3CCCC3)CCCCC1)CO2 ZINC000019562439 204691184 /nfs/dbraw/zinc/69/11/84/204691184.db2.gz LHMMDVCLZZQGCB-GOSISDBHSA-N 1 0 372.509 3.161 40 0 FGABRO O=C([C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1)N1CCOCC1 ZINC000038832736 205043220 /nfs/dbraw/zinc/04/32/20/205043220.db2.gz OFTWEEHNKFELBR-CYBMUJFWSA-N 1 0 357.281 3.064 40 0 FGABRO CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]1N(C(=O)OC(C)(C)C)C(C)C ZINC000079427471 205066791 /nfs/dbraw/zinc/06/67/91/205066791.db2.gz HPAOBEHLYZCSDI-XHSDSOJGSA-N 1 0 355.523 3.043 40 0 FGABRO Cc1nccn1Cc1ccc(C(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000044914109 205115201 /nfs/dbraw/zinc/11/52/01/205115201.db2.gz FLBDIHGYCJQPHS-UHFFFAOYSA-N 1 0 354.498 3.092 40 0 FGABRO COc1cccc(OCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000048399865 205162018 /nfs/dbraw/zinc/16/20/18/205162018.db2.gz AEGBLSUJAHQCEV-UHFFFAOYSA-N 1 0 368.477 3.376 40 0 FGABRO Cc1cncc(C(=O)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccco4)[C@H]3C2)c1 ZINC000107746115 206022883 /nfs/dbraw/zinc/02/28/83/206022883.db2.gz ZYPHREITWGMBIL-VDGAXYAQSA-N 1 0 353.466 3.356 40 0 FGABRO CN(C)C(=O)N[C@@H]1CCOC2(CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000108527948 206032981 /nfs/dbraw/zinc/03/29/81/206032981.db2.gz RNWXETWDPUYXMT-MRXNPFEDSA-N 1 0 365.905 3.125 40 0 FGABRO COc1ccc(OC)c2[nH]c(=O)c(C[NH2+]CCc3ccc(F)cc3)cc12 ZINC000013998920 206308375 /nfs/dbraw/zinc/30/83/75/206308375.db2.gz YRTIXBGJFLYIEM-UHFFFAOYSA-N 1 0 356.397 3.017 40 0 FGABRO C[C@]12C[C@@H]3[NH2+][C@H]1CCC[C@H]2N(C(=O)c1ccno1)[C@H]3Cc1ccccc1 ZINC000257305812 206620278 /nfs/dbraw/zinc/62/02/78/206620278.db2.gz SRQQVPGVAVIERL-FQUGODAKSA-N 1 0 351.450 3.031 40 0 FGABRO COc1cc(N2CCC[C@@]3(CC[N@H+](Cc4cc(C)c(C)o4)C3)C2)ncn1 ZINC000096216576 132222490 /nfs/dbraw/zinc/22/24/90/132222490.db2.gz BLECEKFMHKSPRP-FQEVSTJZSA-N 1 0 356.470 3.188 40 0 FGABRO Cc1cccc(OC[C@H](O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000026780880 136153274 /nfs/dbraw/zinc/15/32/74/136153274.db2.gz INMDXJZPIRRHAP-LJQANCHMSA-N 1 0 360.885 3.210 40 0 FGABRO C[C@H]1C[NH+](C[C@H](O)COCCC23CC4CC(CC(C4)C2)C3)C[C@H](C)O1 ZINC000035088617 494071143 /nfs/dbraw/zinc/07/11/43/494071143.db2.gz UDINVXGKTWEHRM-JKWXVORWSA-N 1 0 351.531 3.080 40 0 FGABRO C[N@@H+]1CCCC[C@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216476 494145528 /nfs/dbraw/zinc/14/55/28/494145528.db2.gz AZBZSPBQTQNUMC-KRWDZBQOSA-N 1 0 360.502 3.296 40 0 FGABRO Nc1cc(-c2c[nH]nc2[C@@H]2CCC[N@H+](CCOc3ccccc3)C2)ccn1 ZINC000072356492 494156958 /nfs/dbraw/zinc/15/69/58/494156958.db2.gz AYZJNTQAPJOIFJ-QGZVFWFLSA-N 1 0 363.465 3.312 40 0 FGABRO Cc1cc(Nc2cccc(C(=O)NCC3([NH+](C)C)CCCC3)c2)nc(C)n1 ZINC000072391804 494161971 /nfs/dbraw/zinc/16/19/71/494161971.db2.gz TZUWHBDRJJHYOE-UHFFFAOYSA-N 1 0 367.497 3.441 40 0 FGABRO CC(=O)N1Cc2ccccc2O[C@H]([C@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000012135395 494206706 /nfs/dbraw/zinc/20/67/06/494206706.db2.gz KOQHNMOEEYUCJR-UGKGYDQZSA-N 1 0 365.477 3.103 40 0 FGABRO C[NH+](C)[C@H](CNC(=O)Cn1ccc2ccc(F)cc21)c1ccc(F)cc1 ZINC000012148448 494209166 /nfs/dbraw/zinc/20/91/66/494209166.db2.gz DBFKOBNJZTXDQK-LJQANCHMSA-N 1 0 357.404 3.339 40 0 FGABRO O=C(CCn1c(C(F)F)cc2cccnc21)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000012187302 494210976 /nfs/dbraw/zinc/21/09/76/494210976.db2.gz AHNHBHMYJWKXFE-HNNXBMFYSA-N 1 0 362.424 3.061 40 0 FGABRO COCCC[NH2+]Cc1cc2c([nH]c1=O)n(-c1ccccc1)nc2C(C)(C)C ZINC000012186359 494211067 /nfs/dbraw/zinc/21/10/67/494211067.db2.gz SHCDDBSHVQCXSO-UHFFFAOYSA-N 1 0 368.481 3.137 40 0 FGABRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H](O)c2ccc(C)cc2)CC1 ZINC000012188302 494211307 /nfs/dbraw/zinc/21/13/07/494211307.db2.gz GQYVEQVMGQTUMJ-OAQYLSRUSA-N 1 0 352.478 3.156 40 0 FGABRO CCn1ncc(C[N@@H+]2C[C@@H]3CCC[C@@](O)(c4ccc(F)cc4)[C@@H]3C2)c1C ZINC000012276756 494219361 /nfs/dbraw/zinc/21/93/61/494219361.db2.gz LXHRRDLKTCIKNR-ZLGUVYLKSA-N 1 0 357.473 3.470 40 0 FGABRO COc1ccc(C2([NH2+]Cc3cn(CCC(N)=O)c4ccccc34)CC2)cc1 ZINC000012361916 494226884 /nfs/dbraw/zinc/22/68/84/494226884.db2.gz OFVYBHDHXMXXCE-UHFFFAOYSA-N 1 0 363.461 3.304 40 0 FGABRO O=C(N[C@@H](c1nccs1)[C@H]1CCC[N@H+](CC2CC2)C1)c1ccccn1 ZINC000012365843 494228200 /nfs/dbraw/zinc/22/82/00/494228200.db2.gz SEYSFPTUOOVIPS-DOTOQJQBSA-N 1 0 356.495 3.131 40 0 FGABRO Fc1ccccc1C[N@@H+]1CCC[C@@H](Cn2nnc(-c3cccs3)n2)C1 ZINC000012471597 494235672 /nfs/dbraw/zinc/23/56/72/494235672.db2.gz RLGXILIDWRDGNF-CQSZACIVSA-N 1 0 357.458 3.453 40 0 FGABRO Cc1cc(C)c(S(=O)(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(C)c1 ZINC000013613482 494290442 /nfs/dbraw/zinc/29/04/42/494290442.db2.gz QFQAQPVUIDTALP-HZPDHXFCSA-N 1 0 352.544 3.258 40 0 FGABRO O=c1cc(-c2cccnc2)nc([C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)C2)[nH]1 ZINC000019340320 494442403 /nfs/dbraw/zinc/44/24/03/494442403.db2.gz VAGBXCDQHNZRLP-OAHLLOKOSA-N 1 0 368.387 3.100 40 0 FGABRO OC1(c2cccnc2)[C@@H]2CCC[C@H]1C[N@@H+](Cc1cnc3ccccc3n1)C2 ZINC000019376667 494443636 /nfs/dbraw/zinc/44/36/36/494443636.db2.gz FPCGLKAKUORLSI-VSOVRNOCSA-N 1 0 360.461 3.145 40 0 FGABRO O[C@@H]1C[C@H]2CN(Cc3cccc(Cl)c3)[C@@H](Cc3ccccc3)C[N@@H+]2C1 ZINC000019372788 494443645 /nfs/dbraw/zinc/44/36/45/494443645.db2.gz BOEPSUUHEHAJOV-PCCBWWKXSA-N 1 0 356.897 3.202 40 0 FGABRO O=c1cc([C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)C2)nc(-c2ccccn2)[nH]1 ZINC000019402862 494444941 /nfs/dbraw/zinc/44/49/41/494444941.db2.gz JRJGFFNNKLDWFY-CQSZACIVSA-N 1 0 368.387 3.100 40 0 FGABRO CCOc1ccc(CN2CCc3nc([C@H]4CCCC[NH2+]4)ncc3C2)cc1 ZINC000019533354 494448076 /nfs/dbraw/zinc/44/80/76/494448076.db2.gz XDADTZCVQIUNKT-HXUWFJFHSA-N 1 0 352.482 3.248 40 0 FGABRO COc1ccc(C[NH+]2CCC([C@H]3CNC(=O)c4ccccc43)CC2)cc1 ZINC000019554985 494448622 /nfs/dbraw/zinc/44/86/22/494448622.db2.gz KPBHVNDGCVJNLF-OAQYLSRUSA-N 1 0 350.462 3.434 40 0 FGABRO COc1ccccc1C[NH+]1CCC(c2noc(-c3ccc(=O)[nH]c3)n2)CC1 ZINC000019570164 494450610 /nfs/dbraw/zinc/45/06/10/494450610.db2.gz VPGJLIYGIPFJFT-UHFFFAOYSA-N 1 0 366.421 3.225 40 0 FGABRO CN(C(=O)c1cccnc1)C1CCC2(CC1)C[N@H+](C)Cc1ccccc1O2 ZINC000019590887 494451679 /nfs/dbraw/zinc/45/16/79/494451679.db2.gz OFGJGSYUCHHYNG-UHFFFAOYSA-N 1 0 365.477 3.359 40 0 FGABRO Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NC[C@H](C(C)C)[NH+](C)C)c2)n1 ZINC000019718350 494457723 /nfs/dbraw/zinc/45/77/23/494457723.db2.gz SFUFDTLCEQBTDC-GOSISDBHSA-N 1 0 362.905 3.459 40 0 FGABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3C(N)=O)cc2)C1 ZINC000020040457 494465910 /nfs/dbraw/zinc/46/59/10/494465910.db2.gz MLKWXGIYBKFIFB-HNNXBMFYSA-N 1 0 351.450 3.270 40 0 FGABRO CCOc1cc(CN2CC[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)ccc1OC ZINC000022595887 494528776 /nfs/dbraw/zinc/52/87/76/494528776.db2.gz STRVWEOMXYDPHU-SXLOBPIMSA-N 1 0 356.510 3.424 40 0 FGABRO C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1c(F)cc(Br)cc1F ZINC000027528302 494870818 /nfs/dbraw/zinc/87/08/18/494870818.db2.gz JUCCUWNVDDWOLY-ZYHUDNBSSA-N 1 0 364.230 3.341 40 0 FGABRO O=C(Cc1cccnc1)N1CCC[C@]2(CC[N@@H+](Cc3ccc(F)cc3)C2)C1 ZINC000096047121 494998168 /nfs/dbraw/zinc/99/81/68/494998168.db2.gz CVPCGKOAUGHPCH-JOCHJYFZSA-N 1 0 367.468 3.278 40 0 FGABRO Cc1noc(C)c1C[N@@H+]1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC000096040345 494998416 /nfs/dbraw/zinc/99/84/16/494998416.db2.gz UOUGWAPGLGPUMC-AZUAARDMSA-N 1 0 357.454 3.137 40 0 FGABRO COc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)cc1 ZINC000096048257 494999538 /nfs/dbraw/zinc/99/95/38/494999538.db2.gz NVMMFSJYEGPZKD-LEWJYISDSA-N 1 0 354.450 3.293 40 0 FGABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](Nc4ncc(F)cn4)CO3)C2)s1 ZINC000096048507 495000016 /nfs/dbraw/zinc/00/00/16/495000016.db2.gz JLEQOBORKYDHJM-MAUKXSAKSA-N 1 0 362.474 3.221 40 0 FGABRO COc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2csc(C)n2)cc1 ZINC000096056582 495000079 /nfs/dbraw/zinc/00/00/79/495000079.db2.gz KWPBRXDNPVDPSX-RTBURBONSA-N 1 0 371.506 3.226 40 0 FGABRO COc1cccc(CN2CC[C@]3(CC[N@H+](Cc4cccs4)C3)C2=O)c1 ZINC000096050651 495000308 /nfs/dbraw/zinc/00/03/08/495000308.db2.gz FMJOYYQELBYBEK-FQEVSTJZSA-N 1 0 356.491 3.381 40 0 FGABRO CC[C@@H]1[N@H+](Cc2ccc(OC)cc2)CCC[C@]12CCC(=O)N2CCOC ZINC000096052440 495000311 /nfs/dbraw/zinc/00/03/11/495000311.db2.gz QVZAJXSHUZWRIT-FPOVZHCZSA-N 1 0 360.498 3.077 40 0 FGABRO COc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C)[C@@H]3c2ccccc2)cc1 ZINC000096100248 495001327 /nfs/dbraw/zinc/00/13/27/495001327.db2.gz GSHOBOIBVSJNEY-HXUWFJFHSA-N 1 0 350.462 3.491 40 0 FGABRO Cc1ncsc1C[NH+]1CCC2(C[C@@H](OCc3cccnc3)CO2)CC1 ZINC000096106781 495002056 /nfs/dbraw/zinc/00/20/56/495002056.db2.gz WQPLCCGKSFXHGX-QGZVFWFLSA-N 1 0 359.495 3.187 40 0 FGABRO CN(C)C(=O)C[C@@H]1CC2(CC[NH+](C3CCOCC3)CC2)c2ccccc21 ZINC000096161239 495005949 /nfs/dbraw/zinc/00/59/49/495005949.db2.gz IXTBVNQNAWDNMI-QGZVFWFLSA-N 1 0 356.510 3.165 40 0 FGABRO CC[N@@H+]1C[C@H](COC)[C@]2(CCN(C(=O)c3ccc4ccccc4c3)C2)C1 ZINC000096217549 495007341 /nfs/dbraw/zinc/00/73/41/495007341.db2.gz ZCZLFGFIWZYVEG-IFMALSPDSA-N 1 0 352.478 3.270 40 0 FGABRO O=C(CC1CC1)N[C@@H]1COCCC12CC[NH+](CCc1ccccc1)CC2 ZINC000096216686 495007406 /nfs/dbraw/zinc/00/74/06/495007406.db2.gz WIEKPTDTDWPABP-HXUWFJFHSA-N 1 0 356.510 3.017 40 0 FGABRO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)N4CCCC4)C3)C2)c1 ZINC000096215692 495007528 /nfs/dbraw/zinc/00/75/28/495007528.db2.gz SXZCZHWMJWKEMZ-OAQYLSRUSA-N 1 0 357.498 3.199 40 0 FGABRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1nccs1)CC2 ZINC000096220962 495007626 /nfs/dbraw/zinc/00/76/26/495007626.db2.gz WIURPJCWKQABRS-SFHVURJKSA-N 1 0 357.523 3.399 40 0 FGABRO CS(=O)(=O)N1CC2(CC[NH+](Cc3cccs3)CC2)c2ccccc21 ZINC000096241349 495008935 /nfs/dbraw/zinc/00/89/35/495008935.db2.gz LEMBDKQJMFQEFU-UHFFFAOYSA-N 1 0 362.520 3.062 40 0 FGABRO [NH3+]C[C@H]1CC[C@H]([C@@H](NC(=O)Cc2ccc(F)cc2)c2ccccn2)CC1 ZINC000100749983 495066157 /nfs/dbraw/zinc/06/61/57/495066157.db2.gz LFJUWSOXZKTHRJ-LLGFUMIMSA-N 1 0 355.457 3.386 40 0 FGABRO Cc1ccc(N2C(=O)C[C@H]([NH2+]CCc3c[nH]c4ccccc34)C2=O)c(C)c1 ZINC000101319442 495068188 /nfs/dbraw/zinc/06/81/88/495068188.db2.gz ASDGJGNMSKPMGD-IBGZPJMESA-N 1 0 361.445 3.249 40 0 FGABRO C[C@H]1CCC[N@H+](CCCNC(=O)Cc2cccc(Br)c2)C1 ZINC000124626548 495318743 /nfs/dbraw/zinc/31/87/43/495318743.db2.gz PQNKGAGNSVTZGT-AWEZNQCLSA-N 1 0 353.304 3.230 40 0 FGABRO Cc1csc(Nc2nccnc2[C@@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)n1 ZINC000257214165 497392394 /nfs/dbraw/zinc/39/23/94/497392394.db2.gz CKWJALLVZCLRHM-OAHLLOKOSA-N 1 0 369.498 3.098 40 0 FGABRO C[NH+](C)Cc1cc([C@@H]2CCCN2C(=O)c2cc(C(C)(C)C)n[nH]2)ccn1 ZINC000257233742 497393461 /nfs/dbraw/zinc/39/34/61/497393461.db2.gz GQNUJUDVCXMTAR-KRWDZBQOSA-N 1 0 355.486 3.141 40 0 FGABRO C[NH+](C)Cc1cccc([C@@H]2CCCN2C(=O)CCOc2ccccc2)n1 ZINC000257243637 497395151 /nfs/dbraw/zinc/39/51/51/497395151.db2.gz IHWSKAQCWKZTQC-FQEVSTJZSA-N 1 0 353.466 3.276 40 0 FGABRO CCCn1c2ccccc2nc1C[N@@H+]1CC[C@H]2[C@H]1CCCCC(=O)N2C ZINC000257278987 497398183 /nfs/dbraw/zinc/39/81/83/497398183.db2.gz OENHLQQMFXODCC-RBUKOAKNSA-N 1 0 354.498 3.422 40 0 FGABRO Cc1ccc(OCC2(O)CC[NH+](Cc3ccc4[nH]cnc4c3)CC2)cc1 ZINC000257287621 497398859 /nfs/dbraw/zinc/39/88/59/497398859.db2.gz PQTBDKUJYWDMTR-UHFFFAOYSA-N 1 0 351.450 3.277 40 0 FGABRO Cc1cccc(Nc2nccnc2[C@@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)n1 ZINC000257287005 497398930 /nfs/dbraw/zinc/39/89/30/497398930.db2.gz PNZUXHJEIBBVLL-QGZVFWFLSA-N 1 0 363.469 3.037 40 0 FGABRO [NH3+]C[C@H]1CC[C@H]([C@H](NC(=O)COc2ccccc2F)c2ccccn2)CC1 ZINC000257289895 497399263 /nfs/dbraw/zinc/39/92/63/497399263.db2.gz QAQWNZPSOIPIAF-QYWGDWMGSA-N 1 0 371.456 3.222 40 0 FGABRO C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCC[N@@H+]3C[C@H]3CCOC3)cc2N1 ZINC000257294175 497399847 /nfs/dbraw/zinc/39/98/47/497399847.db2.gz QSXDIHZYCFTLOZ-QHSBEEBCSA-N 1 0 358.408 3.364 40 0 FGABRO CC(=O)NCc1cccc([C@H]2CCC[N@@H+]2CCOc2ccc(F)cc2)n1 ZINC000257302178 497400631 /nfs/dbraw/zinc/40/06/31/497400631.db2.gz SBUSYMIGSFYRLS-HXUWFJFHSA-N 1 0 357.429 3.073 40 0 FGABRO C[NH+]1CCC(Cc2cccc(F)c2)(C(=O)N2CCC(F)(F)CC2)CC1 ZINC000257299874 497400841 /nfs/dbraw/zinc/40/08/41/497400841.db2.gz RSAKVZOVVVSKAT-UHFFFAOYSA-N 1 0 354.416 3.338 40 0 FGABRO COc1ccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4ccoc4)C2)OC3)cc1 ZINC000306136009 498741120 /nfs/dbraw/zinc/74/11/20/498741120.db2.gz PGJSAWQUEOMXBW-OAQYLSRUSA-N 1 0 365.433 3.327 40 0 FGABRO Fc1cccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4ccoc4)C2)OC3)c1 ZINC000306144847 498742186 /nfs/dbraw/zinc/74/21/86/498742186.db2.gz ZQEADNDTOSHAKX-HXUWFJFHSA-N 1 0 353.397 3.457 40 0 FGABRO CCn1ncc(NC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)c1C(F)(F)F ZINC000333342767 498986668 /nfs/dbraw/zinc/98/66/68/498986668.db2.gz PYIIUAVFNPVIBF-JSGCOSHPSA-N 1 0 373.423 3.308 40 0 FGABRO COC[C@@H]1C[N@H+](Cc2cccs2)CC12CCN(C(=O)C(C)C)CC2 ZINC000585102718 507567722 /nfs/dbraw/zinc/56/77/22/507567722.db2.gz BQDLBOXOYTUKFA-INIZCTEOSA-N 1 0 350.528 3.091 40 0 FGABRO COCC[N@@H+]1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(C)cc2)CC1 ZINC000585113264 507576358 /nfs/dbraw/zinc/57/63/58/507576358.db2.gz ZPGHRROGZASEBT-OAQYLSRUSA-N 1 0 358.526 3.277 40 0 FGABRO Cc1ccc(C)c2[nH]c(=O)c(C[NH2+]C[C@@H](O)COCc3ccccc3)cc12 ZINC000585293453 507587033 /nfs/dbraw/zinc/58/70/33/507587033.db2.gz XEASAIAWLXPBHI-LJQANCHMSA-N 1 0 366.461 3.225 40 0 FGABRO CC[C@H](OC[C@@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000023224650 536033273 /nfs/dbraw/zinc/03/32/73/536033273.db2.gz QTJLKSUHKYWLJD-VXKWHMMOSA-N 1 0 372.484 3.477 40 0 FGABRO COc1ccccc1NC(=O)CC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000000806679 537081046 /nfs/dbraw/zinc/08/10/46/537081046.db2.gz VXDRQQIBVNRYMQ-UHFFFAOYSA-N 1 0 373.884 3.499 40 0 FGABRO CC(C)NC(=O)OC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2c1cc(C2CCCC2)nn1C ZINC000008635315 291067434 /nfs/dbraw/zinc/06/74/34/291067434.db2.gz PSPRHVQAQUUSAJ-KSZLIROESA-N 1 0 374.529 3.390 40 0 biogenic,in-vitro FGABRO O=C(N[C@H]1C[NH+]2CCC1CC2)C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000001638952 204015189 /nfs/dbraw/zinc/01/51/89/204015189.db2.gz STUMSZIDQWXWCF-IBGZPJMESA-N 1 0 356.416 3.307 40 0 FGABRO COc1ccc(C)cc1C[N@@H+]1C[C@@H]2CC[C@](O)(c3ncccc3C)[C@@H]2C1 ZINC000036734767 204386406 /nfs/dbraw/zinc/38/64/06/204386406.db2.gz VITLRXRNPGWSJZ-LRXVAGHRSA-N 1 0 352.478 3.437 40 0 FGABRO Cc1ccc(C)c(S(=O)(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000026842896 204857591 /nfs/dbraw/zinc/85/75/91/204857591.db2.gz DYEHYQWZROTJBR-UHFFFAOYSA-N 1 0 358.507 3.378 40 0 FGABRO Fc1ccc(NC(=S)NCc2ccccc2CN2CCOCC2)cc1 ZINC000038561209 205041363 /nfs/dbraw/zinc/04/13/63/205041363.db2.gz RIJHLYDZVJROFA-UHFFFAOYSA-N 1 0 359.470 3.145 40 0 FGABRO C[NH+]1CCC(N2CCOC[C@H]2c2nc(-c3ccc(Cl)s3)c[nH]2)CC1 ZINC000072321976 205030365 /nfs/dbraw/zinc/03/03/65/205030365.db2.gz ZQVRUKUOFJBTAA-AWEZNQCLSA-N 1 0 366.918 3.259 40 0 biogenic,in-vitro FGABRO O=c1c(-c2cccs2)ccc2n1C[C@H]1C[C@@H]2C[N@@H+](C2CCOCC2)C1 ZINC000004237303 206171703 /nfs/dbraw/zinc/17/17/03/206171703.db2.gz LAYVXOUYQAARQE-LSDHHAIUSA-N 1 0 356.491 3.175 40 0 biogenic,in-vitro FGABRO COc1ccc(C[NH+]2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)cc1 ZINC000096049232 132217500 /nfs/dbraw/zinc/21/75/00/132217500.db2.gz MHEMUVQCAYJHBI-UHFFFAOYSA-N 1 0 366.461 3.093 40 0 FGABRO COc1ccccc1CN1CCCc2c(C)nc(C3CC[NH2+]CC3)nc21 ZINC000257331774 132297033 /nfs/dbraw/zinc/29/70/33/132297033.db2.gz XUFFHHNBUSIFBM-UHFFFAOYSA-N 1 0 352.482 3.213 40 0 FGABRO Cc1nc(N2CCc3cc(Cl)ccc3C2)cc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000329005902 132372275 /nfs/dbraw/zinc/37/22/75/132372275.db2.gz LAKSNVXRXIQUAP-KRWDZBQOSA-N 1 0 360.889 3.430 40 0 FGABRO Cc1cc(N2CCc3cc(Cl)ccc3C2)nc(N[C@H](CO)C(C)C)[nH+]1 ZINC000329051435 132372949 /nfs/dbraw/zinc/37/29/49/132372949.db2.gz UXEKBTFVUDWGGQ-QGZVFWFLSA-N 1 0 360.889 3.430 40 0 FGABRO O=C1C[C@H]([NH2+]CCc2c[nH]c3ccc(Cl)cc23)C(=O)N1c1ccccc1 ZINC000017075525 263372319 /nfs/dbraw/zinc/37/23/19/263372319.db2.gz ODIHKORNWOSIJW-SFHVURJKSA-N 1 0 367.836 3.286 40 0 FGABRO CC[NH+](CC)CCOC(=O)[C@@](O)(c1ccccc1)c1cc(C)cc(C)c1 ZINC000001710831 493798430 /nfs/dbraw/zinc/79/84/30/493798430.db2.gz GQVUMCWXXJPOHD-JOCHJYFZSA-N 1 0 355.478 3.424 40 0 FGABRO O=C(C1CC[NH+](Cc2ccccc2F)CC1)N1CC(=O)Nc2ccccc21 ZINC000039763446 494124097 /nfs/dbraw/zinc/12/40/97/494124097.db2.gz BVEPGUFJPIBQIT-UHFFFAOYSA-N 1 0 367.424 3.023 40 0 FGABRO C[C@@H]1C[C@@H](OC[C@H](O)C[NH+]2CCN(c3ccccc3)CC2)CC(C)(C)C1 ZINC000039931587 494124215 /nfs/dbraw/zinc/12/42/15/494124215.db2.gz KNTYPEPXUKNULI-HMXCVIKNSA-N 1 0 360.542 3.401 40 0 FGABRO COc1ccccc1-c1nccnc1[C@H]1CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000072359057 494156643 /nfs/dbraw/zinc/15/66/43/494156643.db2.gz WNLDLYYYEDREKV-KRWDZBQOSA-N 1 0 363.465 3.265 40 0 FGABRO CC(=O)N1CC[N@H+](Cc2ccc(Cl)cc2)C[C@@H](Cc2ccccn2)C1 ZINC000072355078 494157137 /nfs/dbraw/zinc/15/71/37/494157137.db2.gz CAWJNYJIIGRYBG-GOSISDBHSA-N 1 0 357.885 3.258 40 0 FGABRO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccnc(Nc3cncnc3)n2)cc1 ZINC000072377449 494159649 /nfs/dbraw/zinc/15/96/49/494159649.db2.gz RILKHPFTBLNJIY-IBGZPJMESA-N 1 0 362.437 3.356 40 0 FGABRO C[N@H+](CCOc1ccccc1)Cc1cc(-c2ccccc2)cn2nnnc12 ZINC000072392681 494161764 /nfs/dbraw/zinc/16/17/64/494161764.db2.gz AFLOOOCJHRYTFX-UHFFFAOYSA-N 1 0 359.433 3.302 40 0 FGABRO CC(=O)N1Cc2ccccc2OC2(CC[NH+](Cc3cccc(C)n3)CC2)C1 ZINC000012133542 494206731 /nfs/dbraw/zinc/20/67/31/494206731.db2.gz WOPZDTNHKCQWTM-UHFFFAOYSA-N 1 0 365.477 3.166 40 0 FGABRO COc1cccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2ccccc2O3)c1 ZINC000012329985 494225623 /nfs/dbraw/zinc/22/56/23/494225623.db2.gz QRNVFCBDGINPCI-UXHICEINSA-N 1 0 369.461 3.079 40 0 FGABRO Cc1cc(C)c(S(=O)(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)c1 ZINC000013613488 494290275 /nfs/dbraw/zinc/29/02/75/494290275.db2.gz QFQAQPVUIDTALP-HOTGVXAUSA-N 1 0 352.544 3.258 40 0 FGABRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)Cc2ccccc2Cl)C1 ZINC000013675000 494292293 /nfs/dbraw/zinc/29/22/93/494292293.db2.gz UDZUYLAPGIFGQW-GJZGRUSLSA-N 1 0 358.935 3.127 40 0 FGABRO Cc1ccc([C@H](C)C(=O)N2CCCC[C@@H]2c2ncc3c(n2)CC[NH2+]C3)cc1 ZINC000019136104 494437247 /nfs/dbraw/zinc/43/72/47/494437247.db2.gz WLSUASXLJKKMGQ-OXJNMPFZSA-N 1 0 364.493 3.288 40 0 FGABRO O=C([C@H]1CCCCO1)N1C[C@@H](c2cccc(F)c2)[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019294286 494440647 /nfs/dbraw/zinc/44/06/47/494440647.db2.gz SGJDFGADRAWTRA-NMLBUPMWSA-N 1 0 360.473 3.221 40 0 FGABRO O=c1cc(-c2cccnc2)nc(C2CC[NH+](Cc3ccccc3F)CC2)[nH]1 ZINC000019348911 494442056 /nfs/dbraw/zinc/44/20/56/494442056.db2.gz QBHOFDQLWXBISM-UHFFFAOYSA-N 1 0 364.424 3.351 40 0 FGABRO O=c1cc([C@H]2CCC[N@H+](Cc3ccncc3)C2)nc(-c2cccs2)[nH]1 ZINC000019344643 494442433 /nfs/dbraw/zinc/44/24/33/494442433.db2.gz CFQORKXCLMEGQU-HNNXBMFYSA-N 1 0 352.463 3.273 40 0 FGABRO CC1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@]23CCc2ccccc2C3=O)CC1 ZINC000019496016 494445828 /nfs/dbraw/zinc/44/58/28/494445828.db2.gz PUHLDULZHIVREK-JVCWNBPMSA-N 1 0 354.494 3.058 40 0 FGABRO CCOc1ncc(C2(O)CC[NH+](Cc3ccccc3C)CC2)c(OCC)n1 ZINC000019531745 494447997 /nfs/dbraw/zinc/44/79/97/494447997.db2.gz BDWXTXXKLHBJPJ-UHFFFAOYSA-N 1 0 371.481 3.066 40 0 FGABRO CCN1CC[N@H+](CC2CC2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019527395 494448099 /nfs/dbraw/zinc/44/80/99/494448099.db2.gz LJIZRFPIKGGEBR-QFIPXVFZSA-N 1 0 363.505 3.481 40 0 FGABRO COc1ccccc1C[N@@H+]1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 ZINC000019570267 494449926 /nfs/dbraw/zinc/44/99/26/494449926.db2.gz GGOGGEZBXDLDLE-CYBMUJFWSA-N 1 0 373.407 3.450 40 0 FGABRO Cc1c2ccccc2oc1C(=O)N1CCC[C@@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019566145 494450006 /nfs/dbraw/zinc/45/00/06/494450006.db2.gz FLFPIEHRHLBVIE-QGZVFWFLSA-N 1 0 362.433 3.154 40 0 FGABRO C[N@@H+]1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)Cc1ccccn1 ZINC000019589150 494450981 /nfs/dbraw/zinc/45/09/81/494450981.db2.gz DQBYDCIPSHNQAJ-MQSCRBSSSA-N 1 0 363.505 3.493 40 0 FGABRO Cc1ccc(-c2cc(C(=O)Nc3ccnn3C3CC[NH+](C)CC3)no2)cc1 ZINC000019665726 494453531 /nfs/dbraw/zinc/45/35/31/494453531.db2.gz RUXYGRFSRNGAAZ-UHFFFAOYSA-N 1 0 365.437 3.366 40 0 FGABRO O=C(Nc1ccccc1C[NH+]1CCCC1)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000019659879 494454304 /nfs/dbraw/zinc/45/43/04/494454304.db2.gz AWRBONJFACGYLU-GOSISDBHSA-N 1 0 369.509 3.402 40 0 FGABRO CC[NH+](CC)C1CCN(C(=O)c2cc3ccc(OC)cc3nc2C)CC1 ZINC000019715201 494457311 /nfs/dbraw/zinc/45/73/11/494457311.db2.gz LOSDHGDDYKMWEJ-UHFFFAOYSA-N 1 0 355.482 3.498 40 0 FGABRO CC(C)CNC(=O)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000020241719 494469341 /nfs/dbraw/zinc/46/93/41/494469341.db2.gz WAWBQAACNLNXQT-UHFFFAOYSA-N 1 0 351.494 3.395 40 0 FGABRO CN1CCn2c(-c3ccccc3)cnc2C12CC[NH+](Cc1cccnc1)CC2 ZINC000096036987 494997146 /nfs/dbraw/zinc/99/71/46/494997146.db2.gz XLBBDFHFTGJIOC-UHFFFAOYSA-N 1 0 373.504 3.382 40 0 FGABRO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3cn(C)c4ccccc34)O2)n1 ZINC000096040885 494998811 /nfs/dbraw/zinc/99/88/11/494998811.db2.gz FTZDXTJHUGYKRC-QRVBRYPASA-N 1 0 352.438 3.364 40 0 FGABRO Fc1ccc(C[N@@H+]2CCC(F)(F)[C@]3(CCN(c4cnccn4)C3)C2)cc1 ZINC000096051183 494999437 /nfs/dbraw/zinc/99/94/37/494999437.db2.gz JCOWTHKQPIPDFA-GOSISDBHSA-N 1 0 362.399 3.353 40 0 FGABRO CNC(=O)C[C@H]1CC2(CC[NH+](Cc3c(C)noc3C)CC2)c2ccccc21 ZINC000096052577 494999731 /nfs/dbraw/zinc/99/97/31/494999731.db2.gz KSGGGCNLNGKGCR-KRWDZBQOSA-N 1 0 367.493 3.449 40 0 FGABRO CC1CCN(C(=O)[C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccc(F)cc3)O2)CC1 ZINC000096057540 495000110 /nfs/dbraw/zinc/00/01/10/495000110.db2.gz NDHCPQPCXHBVQP-VAMGGRTRSA-N 1 0 360.473 3.206 40 0 FGABRO O=C1C[C@@]2(CC[N@H+](Cc3ccsc3)C2)CN1c1ccc2c(c1)OCO2 ZINC000096050766 495000216 /nfs/dbraw/zinc/00/02/16/495000216.db2.gz HXLNDTYQYJXUSI-LJQANCHMSA-N 1 0 356.447 3.106 40 0 FGABRO CC(C)[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3cccc4ncccc43)C2)C1 ZINC000096076227 495000637 /nfs/dbraw/zinc/00/06/37/495000637.db2.gz HFGZCIUEANNHLP-JOCHJYFZSA-N 1 0 367.493 3.198 40 0 FGABRO Cc1cccc(C[N@@H+]2CCC[C@]3(C[C@H](Oc4ncccc4F)CO3)C2)n1 ZINC000096107566 495001907 /nfs/dbraw/zinc/00/19/07/495001907.db2.gz PEKRHMVSXCGXLQ-PXNSSMCTSA-N 1 0 357.429 3.127 40 0 FGABRO c1ccc(COC[C@@H]2CC3(CO2)CC[NH+](Cc2cccnc2)CC3)nc1 ZINC000096106176 495002183 /nfs/dbraw/zinc/00/21/83/495002183.db2.gz TYVTYQMFSKIWNM-FQEVSTJZSA-N 1 0 353.466 3.065 40 0 FGABRO Cc1noc(C)c1C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccsc1)C2 ZINC000096158108 495005340 /nfs/dbraw/zinc/00/53/40/495005340.db2.gz CBVNYLKGROVINV-LJQANCHMSA-N 1 0 359.495 3.481 40 0 FGABRO O=C(CC(F)(F)F)N1CCC2(CCC[N@H+](Cc3ccccn3)C2)CC1 ZINC000096158504 495005658 /nfs/dbraw/zinc/00/56/58/495005658.db2.gz FNRHWAZWFIWSNE-UHFFFAOYSA-N 1 0 355.404 3.239 40 0 FGABRO Cc1ccccc1C(=O)N1CCC2(C[C@@H](COCC3CC3)[N@H+](C)C2)CC1 ZINC000096206683 495006238 /nfs/dbraw/zinc/00/62/38/495006238.db2.gz FVWVSLBFWNZJFD-IBGZPJMESA-N 1 0 356.510 3.348 40 0 FGABRO Cc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)N(C)C)c2ccccc23)o1 ZINC000096187364 495006363 /nfs/dbraw/zinc/00/63/63/495006363.db2.gz HLLRGGNIFQLYJZ-IBGZPJMESA-N 1 0 354.450 3.239 40 0 FGABRO C[N@@H+]1[C@H](COCC2CC2)CCC12CCN(C(=O)Cc1ccccc1)CC2 ZINC000096209499 495006484 /nfs/dbraw/zinc/00/64/84/495006484.db2.gz CFTRKCMIGUBMST-FQEVSTJZSA-N 1 0 356.510 3.111 40 0 FGABRO O=C(C[C@@H]1OC[C@H]2C[N@H+](Cc3ccsc3)CC[C@H]21)Nc1cccnc1 ZINC000096206085 495006714 /nfs/dbraw/zinc/00/67/14/495006714.db2.gz HUPFGFPTROPFFA-NXHRZFHOSA-N 1 0 357.479 3.009 40 0 FGABRO Cc1ccc(C[N@H+]2CCC[C@]3(C[C@H](N(C)c4ncccn4)CO3)C2)s1 ZINC000096223430 495007428 /nfs/dbraw/zinc/00/74/28/495007428.db2.gz USTHHVVYJDPNIW-LPHOPBHVSA-N 1 0 358.511 3.106 40 0 FGABRO CN(C)C(=O)N1CCC[C@@]2(CC[N@H+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000096215561 495007563 /nfs/dbraw/zinc/00/75/63/495007563.db2.gz UOORAPIJEPVMOM-SFHVURJKSA-N 1 0 353.869 3.449 40 0 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/nfs/dbraw/zinc/20/65/66/495206566.db2.gz RKLZVMKNAOGUMN-SFHVURJKSA-N 1 0 356.510 3.166 40 0 FGABRO C[C@@H]1CCC[N@H+](CCCNC(=O)Cc2cccc(Br)c2)C1 ZINC000124626336 495318709 /nfs/dbraw/zinc/31/87/09/495318709.db2.gz PQNKGAGNSVTZGT-CQSZACIVSA-N 1 0 353.304 3.230 40 0 FGABRO Cc1ccc2[nH]cc(CC[NH2+][C@@H]3CC(=O)N(c4cccc(C)c4)C3=O)c2c1 ZINC000105331226 495356570 /nfs/dbraw/zinc/35/65/70/495356570.db2.gz DXAVGJJPVPNAND-HXUWFJFHSA-N 1 0 361.445 3.249 40 0 FGABRO COC[C@H]1CN(C(=O)c2ccsc2)CC12CC[NH+](CC1CCC1)CC2 ZINC000247882921 496924590 /nfs/dbraw/zinc/92/45/90/496924590.db2.gz QORLDNBGUKOWLU-GOSISDBHSA-N 1 0 362.539 3.349 40 0 FGABRO COc1ccc(C)cc1C[N@@H+]1C[C@@H]2CC[C@@](O)(c3ccc(C)cn3)[C@H]2C1 ZINC000247914310 496926794 /nfs/dbraw/zinc/92/67/94/496926794.db2.gz LPAQBXVYIBNNSL-JLMWRMLUSA-N 1 0 352.478 3.437 40 0 FGABRO C[N@@H+]1C[C@@H](COCC2CC2)C2(C1)CCN(C(=O)c1ccc(F)cc1)CC2 ZINC000248026313 496943947 /nfs/dbraw/zinc/94/39/47/496943947.db2.gz MGRSZRQDSWBLPG-SFHVURJKSA-N 1 0 360.473 3.036 40 0 FGABRO Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)s1 ZINC000223211221 497033642 /nfs/dbraw/zinc/03/36/42/497033642.db2.gz TVYMFRYRUKIBJW-IRXDYDNUSA-N 1 0 360.552 3.376 40 0 FGABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Cl)s1 ZINC000223253397 497033749 /nfs/dbraw/zinc/03/37/49/497033749.db2.gz UZBMNNJJKJTRCZ-GJZGRUSLSA-N 1 0 366.943 3.331 40 0 FGABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Cl)s1 ZINC000223253571 497034537 /nfs/dbraw/zinc/03/45/37/497034537.db2.gz UZBMNNJJKJTRCZ-HUUCEWRRSA-N 1 0 366.943 3.331 40 0 FGABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1ccc2c(c1)OCCO2 ZINC000224703355 497052318 /nfs/dbraw/zinc/05/23/18/497052318.db2.gz VXCYTEVQVCYUFC-UHFFFAOYSA-N 1 0 366.461 3.374 40 0 FGABRO COc1ccccc1O[C@H](C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224790904 497052845 /nfs/dbraw/zinc/05/28/45/497052845.db2.gz FNLPZANDDCEOBS-QGZVFWFLSA-N 1 0 368.477 3.375 40 0 FGABRO O=C(NCc1ccccn1)C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000225577525 497067451 /nfs/dbraw/zinc/06/74/51/497067451.db2.gz NZBPQYCSYYZRBX-UHFFFAOYSA-N 1 0 361.848 3.403 40 0 FGABRO COC(=O)c1cccc(NC(=S)NCCC[N@@H+]2CCC[C@@H](C)C2)c1C ZINC000225736649 497074161 /nfs/dbraw/zinc/07/41/61/497074161.db2.gz QTNVRJNUULBGQW-CQSZACIVSA-N 1 0 363.527 3.190 40 0 FGABRO C[NH+]1CCC(Oc2ccc(CNC(=S)Nc3cccnc3)cc2)CC1 ZINC000225773920 497074996 /nfs/dbraw/zinc/07/49/96/497074996.db2.gz RMCAVZFYGPVRRF-UHFFFAOYSA-N 1 0 356.495 3.041 40 0 FGABRO c1coc(C[N@@H+]2C[C@H]3CN([C@H]4CCOC4)CC[C@]3(c3ccccc3)C2)c1 ZINC000253595865 497343771 /nfs/dbraw/zinc/34/37/71/497343771.db2.gz JYWYAYBTUYRDFJ-JAXLGGSGSA-N 1 0 352.478 3.144 40 0 FGABRO C[C@@H](Nc1ncc(C(=O)Nc2ccccc2)c(CC[NH3+])n1)c1ccccc1 ZINC000257203017 497390117 /nfs/dbraw/zinc/39/01/17/497390117.db2.gz AOHVOZYECDWYSC-OAHLLOKOSA-N 1 0 361.449 3.403 40 0 FGABRO O=C1OC[C@@H](Cc2ccccc2)N1c1cccc(CC2CC[NH2+]CC2)n1 ZINC000257237925 497394020 /nfs/dbraw/zinc/39/40/20/497394020.db2.gz HIVKOLITNZOSHE-LJQANCHMSA-N 1 0 351.450 3.192 40 0 FGABRO COc1ccc(CN2CCC[C@@H]2c2nc(C)ncc2C[NH+](C)C)c(F)c1 ZINC000257293330 497399945 /nfs/dbraw/zinc/39/99/45/497399945.db2.gz QPAGJHUZACQFAL-LJQANCHMSA-N 1 0 358.461 3.331 40 0 FGABRO CCn1ccnc1[C@@H](Nc1ccc(OC2CCCC2)cc1)[C@H](O)[C@H](C)O ZINC000257301124 497400388 /nfs/dbraw/zinc/40/03/88/497400388.db2.gz RXCJNUCYNMILJT-ZOCIIQOWSA-N 1 0 359.470 3.119 40 0 FGABRO CN(C)c1cc([C@H]2CCCN(C(=O)c3cc(C(C)(C)C)n[nH]3)C2)ccn1 ZINC000257300498 497401437 /nfs/dbraw/zinc/40/14/37/497401437.db2.gz RUNVENYAGRXRPP-HNNXBMFYSA-N 1 0 355.486 3.188 40 0 FGABRO Cc1cccc(C[N@@H+]2CC[C@@H]3O[C@@](C)(COc4cccnc4)C[C@@H]3C2)n1 ZINC000257320324 497404300 /nfs/dbraw/zinc/40/43/00/497404300.db2.gz VWGPOMUIENMJOF-JRGCBEDISA-N 1 0 353.466 3.234 40 0 FGABRO CC(=O)Nc1nc(C)c(-c2cnc(C[C@H]3CC[N@@H+](C(C)C)C3)cn2)s1 ZINC000257320526 497404346 /nfs/dbraw/zinc/40/43/46/497404346.db2.gz VXEYWNBWESFIQI-CQSZACIVSA-N 1 0 359.499 3.140 40 0 FGABRO Cc1nccc(C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)n1 ZINC000257344501 497405173 /nfs/dbraw/zinc/40/51/73/497405173.db2.gz ZXPUDJOZRGPDIQ-SFTDATJTSA-N 1 0 353.466 3.125 40 0 FGABRO CC[NH+](CC)CCCN(Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000575420958 505975520 /nfs/dbraw/zinc/97/55/20/505975520.db2.gz LLYDMXCNKSBQOB-GOSISDBHSA-N 1 0 372.962 3.061 40 0 FGABRO CC(C)n1nccc1[C@@H]1C[N@H+](Cc2cccs2)C[C@]12CCCN(C)C2=O ZINC000306125969 498736601 /nfs/dbraw/zinc/73/66/01/498736601.db2.gz DHRVQKOMLLPABK-FXAWDEMLSA-N 1 0 372.538 3.364 40 0 FGABRO c1cc(C[N@@H+]2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)co1 ZINC000306124645 498737143 /nfs/dbraw/zinc/73/71/43/498737143.db2.gz BVSYJHQDGNIVJN-QGZVFWFLSA-N 1 0 351.454 3.302 40 0 FGABRO Cc1ccc(C[N@H+]2Cc3ccnn3C[C@@H](CCNc3ncccn3)C2)s1 ZINC000306126654 498737743 /nfs/dbraw/zinc/73/77/43/498737743.db2.gz FBEAJFWYGRXSFO-INIZCTEOSA-N 1 0 368.510 3.177 40 0 FGABRO c1cc(-c2cnc3n2C[C@]2(CC[N@@H+](Cc4cccnc4)C2)OC3)cs1 ZINC000306132705 498738756 /nfs/dbraw/zinc/73/87/56/498738756.db2.gz LPQPYANUMWEXHS-LJQANCHMSA-N 1 0 352.463 3.182 40 0 FGABRO CCCCN(C)C(=O)c1nc(-c2ccn(CC[NH+](C)C)c2)n2ccccc12 ZINC000306133183 498739150 /nfs/dbraw/zinc/73/91/50/498739150.db2.gz MEKSGBZWHFTLDB-UHFFFAOYSA-N 1 0 367.497 3.237 40 0 FGABRO CN1Cc2nnc(-c3cccs3)n2C2(CC[NH+](Cc3ccco3)CC2)C1 ZINC000306135773 498739833 /nfs/dbraw/zinc/73/98/33/498739833.db2.gz PAFGHSXKUBLOIC-UHFFFAOYSA-N 1 0 369.494 3.036 40 0 FGABRO Cc1cccc(C[N@@H+]2CC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)n1 ZINC000306144427 498742366 /nfs/dbraw/zinc/74/23/66/498742366.db2.gz ZEUJQNNKQPHTSU-LJQANCHMSA-N 1 0 370.460 3.484 40 0 FGABRO COc1ccccc1C(=O)N1CCC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408613040 499593110 /nfs/dbraw/zinc/59/31/10/499593110.db2.gz WRKTZPJBOAWZAK-IBGZPJMESA-N 1 0 350.462 3.358 40 0 FGABRO O=C1CC[C@@]2(CCC[N@H+](CCc3ccccc3)CC2)N1C[C@@H]1CCCO1 ZINC000585099813 507566072 /nfs/dbraw/zinc/56/60/72/507566072.db2.gz CGEUGGZNMXRPFY-RBBKRZOGSA-N 1 0 356.510 3.255 40 0 FGABRO Cc1ccccc1C[N@@H+]1CCOC[C@@]2(CC(=O)N(Cc3ccccc3)C2)C1 ZINC000585103295 507568461 /nfs/dbraw/zinc/56/84/61/507568461.db2.gz AVDZGKXVEVGDOW-QHCPKHFHSA-N 1 0 364.489 3.246 40 0 FGABRO Cc1ccc(CN2CC3(C2)CC[C@H](C[N@@H+](C)Cc2cccnc2)CO3)o1 ZINC000585104154 507569929 /nfs/dbraw/zinc/56/99/29/507569929.db2.gz GIXLPTZTDHERHG-LJQANCHMSA-N 1 0 355.482 3.096 40 0 FGABRO Cc1ccc2nc(CN3C(=O)C[C@H]4[C@@H]3CC[N@@H+]4CC3CCCCC3)cn2c1 ZINC000585109135 507574961 /nfs/dbraw/zinc/57/49/61/507574961.db2.gz XTJLRBOWJXQJFN-PMACEKPBSA-N 1 0 366.509 3.398 40 0 FGABRO CCCC(CCC)[N@@H+]1CC[C@H](O)[C@@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585284220 507584315 /nfs/dbraw/zinc/58/43/15/507584315.db2.gz VUNXRSYRIGEABM-OALUTQOASA-N 1 0 357.441 3.110 40 0 FGABRO Cc1ccc2[nH]c(=O)c(C[NH2+]C[C@@H](O)COc3ccc(C)c(C)c3)cc2c1 ZINC000585285755 507586174 /nfs/dbraw/zinc/58/61/74/507586174.db2.gz SPNGWHYTOKQVPZ-LJQANCHMSA-N 1 0 366.461 3.395 40 0 FGABRO OC[C@@H]1[C@H](O)[C@@H](c2ccc(Cl)cc2)C[N@@H+]1Cc1ccnc2ccccc12 ZINC000585292253 507586926 /nfs/dbraw/zinc/58/69/26/507586926.db2.gz GKWVYDZYEABZCG-HMXCVIKNSA-N 1 0 368.864 3.209 40 0 FGABRO O=C(Cc1cccnc1)N1C[C@@H](c2cccc(F)c2)[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019294298 204676096 /nfs/dbraw/zinc/67/60/96/204676096.db2.gz LWEPYIUXBNBXCP-VWPQPMDRSA-N 1 0 367.468 3.290 40 0 FGABRO CC[NH+](CC)Cc1c2cc(C)cn(CC(=O)N(C)C)c-2nc1C(F)(F)F ZINC000019526438 204687322 /nfs/dbraw/zinc/68/73/22/204687322.db2.gz CHVHAUZYOBDFFZ-UHFFFAOYSA-N 1 0 370.419 3.245 40 0 FGABRO Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2cnc(N(C)C)nc2)s1 ZINC000043277876 205102581 /nfs/dbraw/zinc/10/25/81/205102581.db2.gz XWSJKAQIPUBYQM-UHFFFAOYSA-N 1 0 370.526 3.202 40 0 FGABRO Cc1noc(C)c1C[NH+]1CCC2(CC1)[C@H](c1ccccc1)CC(=O)N2C ZINC000096199643 205849217 /nfs/dbraw/zinc/84/92/17/205849217.db2.gz YCDQWQSYZRLAMU-IBGZPJMESA-N 1 0 353.466 3.272 40 0 FGABRO Fc1cccnc1OC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1cccnc1)C2 ZINC000107712750 206022136 /nfs/dbraw/zinc/02/21/36/206022136.db2.gz GNMIMNDKCIYYLN-QUCCMNQESA-N 1 0 357.429 3.066 40 0 FGABRO CC(=O)Nc1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4cccnc4)o3)C2)cc1 ZINC000049169711 206087253 /nfs/dbraw/zinc/08/72/53/206087253.db2.gz ZHKLWWOKSPVZQN-KRWDZBQOSA-N 1 0 363.421 3.080 40 0 biogenic,in-vitro FGABRO Cn1c2ccc(C[N@@H+](Cc3ccccc3)C[C@@H]3CCCO3)cc2n(C)c1=O ZINC000013993389 206306940 /nfs/dbraw/zinc/30/69/40/206306940.db2.gz SDOMACRRJBQABF-IBGZPJMESA-N 1 0 365.477 3.058 40 0 FGABRO O[C@@H]1C[C@@H](c2nc(-c3ccc4c(c3)OCO4)no2)[N@H+](CC2CCCCC2)C1 ZINC000015674970 206316078 /nfs/dbraw/zinc/31/60/78/206316078.db2.gz YBDJRSMKOUEFFK-CVEARBPZSA-N 1 0 371.437 3.153 40 0 biogenic,in-vitro FGABRO CCc1cc(N2CCc3cc(OC)c(OC)cc3C2)nc(N[C@H](C)CC)[nH+]1 ZINC000328961064 132371770 /nfs/dbraw/zinc/37/17/70/132371770.db2.gz BAUXLWSQEAXHMF-CQSZACIVSA-N 1 0 370.497 3.251 40 0 FGABRO CCc1cc(N2Cc3ccccc3C[C@@H]2C)nc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000328986168 132372124 /nfs/dbraw/zinc/37/21/24/132372124.db2.gz HWVLCGZVEFYMRL-KXBFYZLASA-N 1 0 354.498 3.419 40 0 FGABRO Cc1cc(N2CCC(C(=O)NCC3CC3)CC2)nc(-c2ccccc2)n1 ZINC000001350686 136151694 /nfs/dbraw/zinc/15/16/94/136151694.db2.gz BWLWDLNRZJLDOO-UHFFFAOYSA-N 1 0 350.466 3.195 40 0 FGABRO C[C@@H](O)C[NH2+]CCNCc1cc(Cl)ccc1OCc1ccccc1F ZINC000022075844 263384883 /nfs/dbraw/zinc/38/48/83/263384883.db2.gz VTQSXVWTKBHNCY-CQSZACIVSA-N 1 0 366.864 3.118 40 0 FGABRO COc1ccc(CC[NH2+]C[C@@H](O)CSc2cccc(C)c2)cc1OC ZINC000001718154 493798040 /nfs/dbraw/zinc/79/80/40/493798040.db2.gz DILPEEZGAVOXDI-QGZVFWFLSA-N 1 0 361.507 3.298 40 0 FGABRO COc1cc2c(cc1O)C[C@H]1c3c(c(OC)c(OC)c(OC)c3-2)CCN1C ZINC000005741376 493941937 /nfs/dbraw/zinc/94/19/37/493941937.db2.gz QCMQEZNBBPGFKQ-AWEZNQCLSA-N 1 0 371.433 3.179 40 0 FGABRO Cc1ccc(N2CC[NH+](C[C@H](O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000031666900 493954936 /nfs/dbraw/zinc/95/49/36/493954936.db2.gz YYEGWUYPTYSALH-IBGZPJMESA-N 1 0 360.885 3.210 40 0 FGABRO C[C@@H]1C[C@H](OC[C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)CC(C)(C)C1 ZINC000033526439 494061018 /nfs/dbraw/zinc/06/10/18/494061018.db2.gz KNTYPEPXUKNULI-GIVPXCGWSA-N 1 0 360.542 3.401 40 0 FGABRO Cc1nn(C)c(C)c1C[NH2+]CCC(=O)Sc1nc2ccccc2s1 ZINC000035323755 494075065 /nfs/dbraw/zinc/07/50/65/494075065.db2.gz NRBJQXXEDUQNDE-UHFFFAOYSA-N 1 0 360.508 3.445 40 0 FGABRO CCOc1cc(C[NH2+]Cc2ccc(F)cc2)cc(Cl)c1OCC(N)=O ZINC000008253779 494079299 /nfs/dbraw/zinc/07/92/99/494079299.db2.gz HWVFTEXBLWUYSV-UHFFFAOYSA-N 1 0 366.820 3.032 40 0 FGABRO NC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000009063453 494113940 /nfs/dbraw/zinc/11/39/40/494113940.db2.gz CKNIKDSUQDEVKO-UHFFFAOYSA-N 1 0 371.868 3.290 40 0 FGABRO COc1cccc(-c2cccc([C@@H]3CCCN(C(=O)C[NH+](C)C)C3)n2)c1 ZINC000072350111 494156129 /nfs/dbraw/zinc/15/61/29/494156129.db2.gz LBKRIKVAGWFITJ-QGZVFWFLSA-N 1 0 353.466 3.025 40 0 FGABRO NC(=O)c1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC000072358326 494156753 /nfs/dbraw/zinc/15/67/53/494156753.db2.gz JSIVTGAPDOOQIR-QGZVFWFLSA-N 1 0 350.466 3.365 40 0 FGABRO O=C(CCc1ccc(F)cc1)N1CC[NH2+]C[C@H](COCc2ccccc2)C1 ZINC000072354538 494157485 /nfs/dbraw/zinc/15/74/85/494157485.db2.gz CNJUCPWYDCTQCM-FQEVSTJZSA-N 1 0 370.468 3.023 40 0 FGABRO Cn1cc(C[N@@H+]2CCC[C@H](c3nccnc3-c3ccc(F)cc3)C2)cn1 ZINC000072359051 494157657 /nfs/dbraw/zinc/15/76/57/494157657.db2.gz CHPOIXNMMGRVCX-KRWDZBQOSA-N 1 0 351.429 3.396 40 0 FGABRO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000010691110 494159566 /nfs/dbraw/zinc/15/95/66/494159566.db2.gz UNYOBCUXTOFYBN-UHFFFAOYSA-N 1 0 363.505 3.240 40 0 FGABRO COc1cc2c(cc1C[N@@H+]1[C@@H]3CC[C@H]1Cc1c(=O)[nH]c(C)nc1C3)CCC2 ZINC000072373031 494160054 /nfs/dbraw/zinc/16/00/54/494160054.db2.gz CBOOBMOXIDYEJA-ZWKOTPCHSA-N 1 0 365.477 3.120 40 0 FGABRO O[C@@H](C[NH2+]C1CCCCC1)COCCOC12CC3CC(CC(C3)C1)C2 ZINC000041689943 494174205 /nfs/dbraw/zinc/17/42/05/494174205.db2.gz GXBFSMXOLJEKMK-WYGOJCFESA-N 1 0 351.531 3.272 40 0 FGABRO C[N@@H+]1CCCC[C@@H]1CC(=O)N1CCC(c2nc3ccccc3cc2N)CC1 ZINC000012087838 494202741 /nfs/dbraw/zinc/20/27/41/494202741.db2.gz JURTYUODIDPURF-GOSISDBHSA-N 1 0 366.509 3.397 40 0 FGABRO OC1(Cn2ccc3nc(Cl)ccc32)CC[NH+](Cc2ccncc2)CC1 ZINC000012089014 494203521 /nfs/dbraw/zinc/20/35/21/494203521.db2.gz LVUCEMBEDCELRI-UHFFFAOYSA-N 1 0 356.857 3.112 40 0 FGABRO O=C(N[C@@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2ccncc2)C1)C1CC1 ZINC000012088840 494203668 /nfs/dbraw/zinc/20/36/68/494203668.db2.gz GMMVPSDXOXWZHS-IAGOWNOFSA-N 1 0 356.495 3.018 40 0 FGABRO CC(=O)N1Cc2ccccc2O[C@@H]([C@H]2CCC[N@H+](Cc3ccncc3)C2)C1 ZINC000012135406 494207408 /nfs/dbraw/zinc/20/74/08/494207408.db2.gz XITMNRCWFXXLED-SIKLNZKXSA-N 1 0 365.477 3.103 40 0 FGABRO Cc1nccn1CC1(O)CC[NH+](Cc2cc(Cl)c(C)c(C)c2N)CC1 ZINC000012221439 494214927 /nfs/dbraw/zinc/21/49/27/494214927.db2.gz BGPQSVHDOXXKFZ-UHFFFAOYSA-N 1 0 362.905 3.071 40 0 FGABRO CCOc1ccc([C@H](O)C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)cc1 ZINC000012292360 494219484 /nfs/dbraw/zinc/21/94/84/494219484.db2.gz QGDBVPNSAZMHIL-HXUWFJFHSA-N 1 0 359.441 3.241 40 0 FGABRO Cc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1 ZINC000012329421 494224950 /nfs/dbraw/zinc/22/49/50/494224950.db2.gz JJEXCFPEDNMFBP-PMACEKPBSA-N 1 0 353.462 3.379 40 0 FGABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@H](O)c1cc(F)ccc1O2)c1ccccc1 ZINC000012329268 494225071 /nfs/dbraw/zinc/22/50/71/494225071.db2.gz XFDAIEMYKLXDJO-OALUTQOASA-N 1 0 357.425 3.210 40 0 FGABRO COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2[NH2+]Cc2cnn(C)c2)cc1OC ZINC000012337875 494225910 /nfs/dbraw/zinc/22/59/10/494225910.db2.gz VHFCJZIYGQSSIT-JWWGGVBKSA-N 1 0 355.482 3.499 40 0 FGABRO Cc1ccc2occ(CN(CC[NH+](C)C)Cc3cccnc3)c(=O)c2c1 ZINC000019219775 494438098 /nfs/dbraw/zinc/43/80/98/494438098.db2.gz ZGWPYRHBLXYTMQ-UHFFFAOYSA-N 1 0 351.450 3.060 40 0 FGABRO O=c1cc(-c2cccnc2)nc([C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)C2)[nH]1 ZINC000019340323 494441727 /nfs/dbraw/zinc/44/17/27/494441727.db2.gz VAGBXCDQHNZRLP-HNNXBMFYSA-N 1 0 368.387 3.100 40 0 FGABRO O=c1cc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)nc(-c2cccs2)[nH]1 ZINC000019339058 494442644 /nfs/dbraw/zinc/44/26/44/494442644.db2.gz MEIALXYGMXAQBS-OAHLLOKOSA-N 1 0 352.463 3.273 40 0 FGABRO CCCNC(=O)c1cc([C@@H]2CCC[N@H+](Cc3cccc(OC)c3)C2)no1 ZINC000019503699 494445933 /nfs/dbraw/zinc/44/59/33/494445933.db2.gz VPQBSPWYCDOTHQ-MRXNPFEDSA-N 1 0 357.454 3.203 40 0 FGABRO Cc1nn(C[C@@H](C)C(=O)N2CCCC[C@@H]2CC[NH+]2CCCC2)c(C)c1C ZINC000019556821 494448589 /nfs/dbraw/zinc/44/85/89/494448589.db2.gz JYCSUODBPKWDQD-OXQOHEQNSA-N 1 0 360.546 3.311 40 0 FGABRO CSCC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc2c(cc1Cl)OCO2 ZINC000019574025 494449938 /nfs/dbraw/zinc/44/99/38/494449938.db2.gz QTACSLQOFVWEAD-LSDHHAIUSA-N 1 0 368.930 3.470 40 0 FGABRO Cc1c2ccccc2oc1C(=O)N1CCC[C@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019566148 494450314 /nfs/dbraw/zinc/45/03/14/494450314.db2.gz FLFPIEHRHLBVIE-KRWDZBQOSA-N 1 0 362.433 3.154 40 0 FGABRO COc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1Cn1nc(C)cc1C ZINC000019574410 494450378 /nfs/dbraw/zinc/45/03/78/494450378.db2.gz JRNXFJBOBMAFPX-NQIIRXRSSA-N 1 0 368.525 3.225 40 0 FGABRO Cc1cc(C[N@@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3CC2)c(C)s1 ZINC000019567993 494450421 /nfs/dbraw/zinc/45/04/21/494450421.db2.gz LXCKWZAVDJLEMR-UHFFFAOYSA-N 1 0 366.490 3.111 40 0 FGABRO Cc1cc(C)c(-n2cccn2)c(CN(CC[NH+](C)C)Cc2cccnc2)c1 ZINC000019566877 494450473 /nfs/dbraw/zinc/45/04/73/494450473.db2.gz LUYYFSGBFKMGTE-UHFFFAOYSA-N 1 0 363.509 3.448 40 0 FGABRO Cc1nc2ccc(F)cc2cc1C(=O)Nc1ccnn1C1CC[NH+](C)CC1 ZINC000019666892 494453596 /nfs/dbraw/zinc/45/35/96/494453596.db2.gz GYYUYTFANLBHTC-UHFFFAOYSA-N 1 0 367.428 3.398 40 0 FGABRO CCN(C(=O)COc1cc(C)nc2ccc(C)cc21)C1CC[NH+](C)CC1 ZINC000019655449 494453686 /nfs/dbraw/zinc/45/36/86/494453686.db2.gz LNMNMBLTHUWRIU-UHFFFAOYSA-N 1 0 355.482 3.173 40 0 FGABRO Cc1nc(-c2cncnc2[C@H]2CC[N@H+](Cc3ccccc3Cl)C2)no1 ZINC000019693791 494455067 /nfs/dbraw/zinc/45/50/67/494455067.db2.gz HEVZDHBFWWWYQR-AWEZNQCLSA-N 1 0 355.829 3.478 40 0 FGABRO CC[NH2+][C@H]1C[C@@H](c2ccccc2)OC2(CCN(C(=O)COC(C)C)CC2)C1 ZINC000019712752 494456638 /nfs/dbraw/zinc/45/66/38/494456638.db2.gz ULZOBIIRWAHWAQ-PMACEKPBSA-N 1 0 374.525 3.302 40 0 FGABRO O=C(CCc1ccc2c(c1)OCO2)NCc1ccccc1C[NH+]1CCCC1 ZINC000024618455 494647164 /nfs/dbraw/zinc/64/71/64/494647164.db2.gz HVPPYABUEAJAOO-UHFFFAOYSA-N 1 0 366.461 3.260 40 0 FGABRO c1cncc(COC[C@]23CCCO[C@@H]2CC[N@H+](Cc2ccncc2)C3)c1 ZINC000096040103 494997756 /nfs/dbraw/zinc/99/77/56/494997756.db2.gz PHLHKOLRWDDKET-NHCUHLMSSA-N 1 0 353.466 3.065 40 0 FGABRO Fc1ccc(C[N@@H+]2CCC(F)(F)[C@@]3(CCN(c4cnccn4)C3)C2)cc1 ZINC000096051184 494999419 /nfs/dbraw/zinc/99/94/19/494999419.db2.gz JCOWTHKQPIPDFA-SFHVURJKSA-N 1 0 362.399 3.353 40 0 FGABRO COc1ccc(CN2CCOC[C@@]3(CC[N@H+](Cc4cccs4)C3)C2)cc1 ZINC000096062405 494999474 /nfs/dbraw/zinc/99/94/74/494999474.db2.gz HOGMRNNLBUQERZ-OAQYLSRUSA-N 1 0 372.534 3.481 40 0 FGABRO Cc1cccc(C[N@@H+]2CCC[C@]3(C[C@@H](OCc4ccccn4)CO3)C2)n1 ZINC000096107333 495001817 /nfs/dbraw/zinc/00/18/17/495001817.db2.gz GRWRZZFCEQARGA-RTWAWAEBSA-N 1 0 353.466 3.125 40 0 FGABRO Cc1nc(COC[C@]23COC[C@H]2C[N@H+](Cc2cccs2)C3)cs1 ZINC000096108905 495001930 /nfs/dbraw/zinc/00/19/30/495001930.db2.gz PZTGQGSWCORFCO-PBHICJAKSA-N 1 0 350.509 3.178 40 0 FGABRO Cc1ncsc1C[NH+]1CCC2(C[C@H](OCc3cccnc3)CO2)CC1 ZINC000096106780 495002265 /nfs/dbraw/zinc/00/22/65/495002265.db2.gz WQPLCCGKSFXHGX-KRWDZBQOSA-N 1 0 359.495 3.187 40 0 FGABRO C[NH+](C)CCNC(=O)c1ccnn1-c1ccc2ccc(-c3ccccc3)cn21 ZINC000096155228 495005771 /nfs/dbraw/zinc/00/57/71/495005771.db2.gz IMIOOHWWDVVNOQ-UHFFFAOYSA-N 1 0 373.460 3.083 40 0 FGABRO c1csc(C[N@H+]2CCC[C@]3(C[C@H](OCC4CCOCC4)CO3)C2)c1 ZINC000096206785 495006838 /nfs/dbraw/zinc/00/68/38/495006838.db2.gz NIDYRTVIRQRXRG-HKUYNNGSSA-N 1 0 351.512 3.315 40 0 FGABRO O=C(CO[C@H]1CC[N@@H+](C2CCC2)C[C@@H]1Cc1ccccc1)N1CCCC1 ZINC000096219067 495008033 /nfs/dbraw/zinc/00/80/33/495008033.db2.gz ABPDYNWBEKCWTA-FPOVZHCZSA-N 1 0 356.510 3.111 40 0 FGABRO Cc1nc(N(C)C)nc2c1COC[C@]21CC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000096244438 495008772 /nfs/dbraw/zinc/00/87/72/495008772.db2.gz LVDHEOJOQXCURS-HXUWFJFHSA-N 1 0 372.900 3.178 40 0 FGABRO C[NH+](C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2cccnc2)CC1 ZINC000100750205 495066131 /nfs/dbraw/zinc/06/61/31/495066131.db2.gz HFBNROMBRVZSAM-KPLVRAHFSA-N 1 0 366.509 3.245 40 0 FGABRO COc1cc(C[N@@H+]2C[C@@H]3CC[C@](O)(c4ccc(F)cc4)[C@H]3C2)ccc1O ZINC000247913421 496926566 /nfs/dbraw/zinc/92/65/66/496926566.db2.gz VIWZXVCCPCEWEL-XERREHJYSA-N 1 0 357.425 3.270 40 0 FGABRO c1ccc(COCC[C@@H]2CCOC23CC[NH+](Cc2cccnc2)CC3)nc1 ZINC000247912254 496927014 /nfs/dbraw/zinc/92/70/14/496927014.db2.gz YPJAXHUCAJEMOL-HXUWFJFHSA-N 1 0 367.493 3.455 40 0 FGABRO COc1ccccc1O[C@H](C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224626452 497051185 /nfs/dbraw/zinc/05/11/85/497051185.db2.gz KELIRUWSMLDKBJ-QGZVFWFLSA-N 1 0 368.477 3.375 40 0 FGABRO c1coc(C[N@@H+]2C[C@@H]3CN([C@@H]4CCOC4)CC[C@]3(c3ccccc3)C2)c1 ZINC000253595866 497343884 /nfs/dbraw/zinc/34/38/84/497343884.db2.gz JYWYAYBTUYRDFJ-KCZVDYSFSA-N 1 0 352.478 3.144 40 0 FGABRO COc1ccc(OC[C@@H](C)[NH2+]Cc2cnc(N3CCC[C@H](C)C3)nc2)cc1 ZINC000253613684 497346614 /nfs/dbraw/zinc/34/66/14/497346614.db2.gz ARRIVEKUSOJVQK-DLBZAZTESA-N 1 0 370.497 3.279 40 0 FGABRO O=C(CC1CCCCC1)N1CC[NH2+]C[C@@H](Cc2ccnc3cccnc23)C1 ZINC000257210102 497390093 /nfs/dbraw/zinc/39/00/93/497390093.db2.gz BTENXQVQGWREBJ-GOSISDBHSA-N 1 0 366.509 3.191 40 0 FGABRO Cc1cc(N)cc([C@H]2CN(C(=O)CCc3ccc(Cl)cc3)CCO2)[nH+]1 ZINC000257207256 497390241 /nfs/dbraw/zinc/39/02/41/497390241.db2.gz BHACINXDWYVONE-GOSISDBHSA-N 1 0 359.857 3.158 40 0 FGABRO CN(C)CC(=O)N1[C@@H]2CCCC[C@@H]3[N@H+](C)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257217854 497392257 /nfs/dbraw/zinc/39/22/57/497392257.db2.gz DAWYANVNWKJCHI-XANJAXJYSA-N 1 0 369.553 3.023 40 0 FGABRO CC(C)(C)c1ccc2c(c1)[C@H]1O[C@H]3CCN(CC(N)=O)[C@H]3C[C@@H]1C(C)(C)O2 ZINC000257219505 497392454 /nfs/dbraw/zinc/39/24/54/497392454.db2.gz DHAFZFRQGAPRHN-ZTTFOMCMSA-N 1 0 372.509 3.161 40 0 FGABRO COc1cc(C[N@@H+]2CCC3(CC(N(C)c4ccncn4)C3)C2)ccc1F ZINC000257228404 497393333 /nfs/dbraw/zinc/39/33/33/497393333.db2.gz FTRYBZZGQDHKDO-UHFFFAOYSA-N 1 0 356.445 3.115 40 0 FGABRO CCOc1ccccc1C[N@@H+]1CCC[C@@H]1c1ccnc(CNC(C)=O)c1 ZINC000257235224 497393472 /nfs/dbraw/zinc/39/34/72/497393472.db2.gz GWYHJJVSUAAIRU-HXUWFJFHSA-N 1 0 353.466 3.454 40 0 FGABRO C[NH+](C)Cc1ccnc([C@@H]2CCCN2CC2=Cc3ccccc3OC2)n1 ZINC000257245763 497394519 /nfs/dbraw/zinc/39/45/19/497394519.db2.gz IQZHJYBWIHPNEV-IBGZPJMESA-N 1 0 350.466 3.151 40 0 FGABRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(CNC(C)=O)n2)cc1 ZINC000257243005 497395526 /nfs/dbraw/zinc/39/55/26/497395526.db2.gz IFDVNOYVLYGVRJ-OAQYLSRUSA-N 1 0 353.466 3.454 40 0 FGABRO CC(C)c1cc(C(=O)N2CC[C@@H]3[C@H](C2)[C@@H](c2ccccc2)C[N@@H+]3C)[nH]n1 ZINC000257298936 497400319 /nfs/dbraw/zinc/40/03/19/497400319.db2.gz RNYYUEVESRBJKK-MBOZVWFJSA-N 1 0 352.482 3.093 40 0 FGABRO Cc1cccc(Nc2nccnc2[C@H]2CCCN(Cc3cn(C)cn3)C2)n1 ZINC000257307391 497400403 /nfs/dbraw/zinc/40/04/03/497400403.db2.gz SYLBNFQSUIUMCN-INIZCTEOSA-N 1 0 363.469 3.037 40 0 FGABRO Cc1cc(CC[C@@H]2CCC[N@@H+]2Cc2ccccc2OCC(=O)[O-])ccn1 ZINC000257344066 497405404 /nfs/dbraw/zinc/40/54/04/497405404.db2.gz ZVQHIQIYZKVAEY-IBGZPJMESA-N 1 0 354.450 3.451 40 0 FGABRO Cc1cccc(Nc2cc([C@H]3CCCN(Cc4c[nH]cn4)C3)nc(C)n2)n1 ZINC000257343789 497405448 /nfs/dbraw/zinc/40/54/48/497405448.db2.gz ZUKSYJJAQHOMGL-INIZCTEOSA-N 1 0 363.469 3.335 40 0 FGABRO Cc1ccc(C[N@H+]2Cc3ccnn3C[C@H](CCNc3ncccn3)C2)s1 ZINC000306126655 498738004 /nfs/dbraw/zinc/73/80/04/498738004.db2.gz FBEAJFWYGRXSFO-MRXNPFEDSA-N 1 0 368.510 3.177 40 0 FGABRO Cc1nc2c(n1C(C)C)CN(Cc1cccnc1)CC21CC[NH+](C)CC1 ZINC000306126651 498739051 /nfs/dbraw/zinc/73/90/51/498739051.db2.gz FAYDAVCFAJQWKC-UHFFFAOYSA-N 1 0 353.514 3.147 40 0 FGABRO Cc1ccc(Nc2cc(-c3ccccc3)nc(NCC[NH+](C)C)n2)cc1F ZINC000329013965 499016463 /nfs/dbraw/zinc/01/64/63/499016463.db2.gz MSUNUQLDBYHOFU-UHFFFAOYSA-N 1 0 365.456 3.152 40 0 FGABRO Cc1ccc(S(=O)(=O)N2CCC[C@H]([N@@H+]3CCc4ccccc4C3)C2)cc1 ZINC000408605664 499592788 /nfs/dbraw/zinc/59/27/88/499592788.db2.gz GJHDFSKCWBYSTN-FQEVSTJZSA-N 1 0 370.518 3.206 40 0 FGABRO Cc1ccccc1S(=O)(=O)N1CC[C@H]2[C@H](C[N@@H+]2CC2CCCCC2)C1 ZINC000585107963 507573847 /nfs/dbraw/zinc/57/38/47/507573847.db2.gz NGENNOOBWPBCDV-MOPGFXCFSA-N 1 0 362.539 3.270 40 0 FGABRO CC[C@@H](C)[N@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)CC3CCOCC3)[C@H]2C1 ZINC000585109709 507574816 /nfs/dbraw/zinc/57/48/16/507574816.db2.gz JXNIABPXOMXGNH-YHQLXQCYSA-N 1 0 356.510 3.488 40 0 FGABRO O[C@]1(COc2cc(F)cc(F)c2)COCC[N@@H+](C2CCCCCC2)C1 ZINC000585281812 507584100 /nfs/dbraw/zinc/58/41/00/507584100.db2.gz BJYYKKWQQHNZBQ-IBGZPJMESA-N 1 0 355.425 3.130 40 0 FGABRO Cc1ccc(OC[C@H](O)C[NH2+]Cc2cc3ccc(C)cc3[nH]c2=O)c(C)c1 ZINC000585283000 507584232 /nfs/dbraw/zinc/58/42/32/507584232.db2.gz AKUJQTUZWLBXEE-LJQANCHMSA-N 1 0 366.461 3.395 40 0 FGABRO Cc1n[nH]c(C)c1CCC[NH2+][C@H]1CCC[C@@H](Oc2cccc(C)c2)[C@@H]1O ZINC000585289035 507585472 /nfs/dbraw/zinc/58/54/72/507585472.db2.gz MRGZKDFYRFHPOU-PWRODBHTSA-N 1 0 357.498 3.218 40 0 FGABRO Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]CCOc3cccc(F)c3)[C@H]2O)c1 ZINC000585289606 507586236 /nfs/dbraw/zinc/58/62/36/507586236.db2.gz SDKXGEKAUALMQJ-PWRODBHTSA-N 1 0 359.441 3.464 40 0 FGABRO CC(C)N1CC[NH+]([C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)CC1 ZINC000585290067 507586517 /nfs/dbraw/zinc/58/65/17/507586517.db2.gz RLORXFPSXUUUQI-IPMKNSEASA-N 1 0 352.906 3.027 40 0 FGABRO Cc1ccc2cc(C[NH2+]C[C@H](O)COc3cccc(C)c3C)c(=O)[nH]c2c1 ZINC000585286192 507586963 /nfs/dbraw/zinc/58/69/63/507586963.db2.gz XAONUVNLPHIIDF-IBGZPJMESA-N 1 0 366.461 3.395 40 0 FGABRO C[C@@]1(O)CC[N@H+](CC2CCCC2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 ZINC000514289638 560032303 /nfs/dbraw/zinc/03/23/03/560032303.db2.gz ACSQKDBPRVHYTE-JAXLGGSGSA-N 1 0 356.510 3.269 40 0 biogenic,in-vitro FGABRO CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000685938951 568434623 /nfs/dbraw/zinc/43/46/23/568434623.db2.gz HQMWMOHLMWYEOC-RLLQIKCJSA-N 1 0 359.514 3.240 40 0 FGABRO Cc1cc(S(=O)(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@@H]32)c(C)o1 ZINC000127444232 700761608 /nfs/dbraw/zinc/76/16/08/700761608.db2.gz AWXBJESYWMHIMD-AEFFLSMTSA-N 1 0 360.479 3.201 40 0 FGABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@@H](O)c3ccccc3)CC1)C[C@@H]2O ZINC000012293302 219975969 /nfs/dbraw/zinc/97/59/69/219975969.db2.gz NLBZCFOSXWZRHN-VQTJNVASSA-N 1 0 369.461 3.079 40 0 FGABRO CC(C)Nc1nc(NCc2ccc(Br)cc2)cc(C2CC2)[nH+]1 ZINC000329019374 203847538 /nfs/dbraw/zinc/84/75/38/203847538.db2.gz NWORVAPHKUOKRL-UHFFFAOYSA-N 1 0 361.287 3.393 40 0 FGABRO CC(C)C[NH2+][C@H](c1ccc2c(c1)OCO2)[C@H](O)c1ccc2c(c1)OCO2 ZINC000001767505 204018050 /nfs/dbraw/zinc/01/80/50/204018050.db2.gz OGUAXMGIUWGECD-WOJBJXKFSA-N 1 0 357.406 3.164 40 0 FGABRO COc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3CC(C)C)cc1OC ZINC000004354703 204136226 /nfs/dbraw/zinc/13/62/26/204136226.db2.gz KZJJWYRFBGEUAE-AYHJJNSGSA-N 1 0 360.498 3.475 40 0 FGABRO CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1OC[C@H](O)C[N@H+](CCO)Cc1ccccc1 ZINC000006617275 204257629 /nfs/dbraw/zinc/25/76/29/204257629.db2.gz GLAIIEFQDDCTQE-VMBXEPDQSA-N 1 0 361.526 3.073 40 0 FGABRO COCCOc1ncccc1-c1noc([C@@H]2CCC[N@@H+]2CC(C)(C)C)n1 ZINC000035425002 204262218 /nfs/dbraw/zinc/26/22/18/204262218.db2.gz GDWKFANRQPHQMR-HNNXBMFYSA-N 1 0 360.458 3.340 40 0 biogenic,in-vitro FGABRO COc1cccc(C[N@@H+]2CC[C@]3(C2)CCc2ccccc2C(=O)N3)c1OC ZINC000019567709 204691716 /nfs/dbraw/zinc/69/17/16/204691716.db2.gz BZRSURDFVIIJIL-QFIPXVFZSA-N 1 0 366.461 3.025 40 0 FGABRO COc1ccc(CCNC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000038848935 205043675 /nfs/dbraw/zinc/04/36/75/205043675.db2.gz CTWPQEHQTBXFPK-IBGZPJMESA-N 1 0 370.468 3.405 40 0 FGABRO CCSc1ncc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2Cc2ccccc2)cn1 ZINC000043568736 205103789 /nfs/dbraw/zinc/10/37/89/205103789.db2.gz GUYINCAKCPFBFJ-PMACEKPBSA-N 1 0 368.550 3.480 40 0 FGABRO CN(C)C(=O)[C@@H]1OC2(CC[NH+](Cc3cccs3)CC2)c2ccccc21 ZINC000096058366 205813779 /nfs/dbraw/zinc/81/37/79/205813779.db2.gz UDNZOQDLVUJPNZ-GOSISDBHSA-N 1 0 356.491 3.399 40 0 FGABRO COCC[N@@H+]1C[C@H]2CN(Cc3cccc(C)n3)CC[C@]2(c2ccccc2)C1 ZINC000107260156 206018117 /nfs/dbraw/zinc/01/81/17/206018117.db2.gz KTQCJPQBBIUQQF-FYYLOGMGSA-N 1 0 365.521 3.112 40 0 FGABRO Cc1cncc(C(=O)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccco4)[C@H]3C2)c1 ZINC000107746112 206022363 /nfs/dbraw/zinc/02/23/63/206022363.db2.gz ZYPHREITWGMBIL-FFZOFVMBSA-N 1 0 353.466 3.356 40 0 FGABRO Fc1ccc(OCc2nnc([C@H]3CC[N@H+](Cc4ccccn4)C3)o2)cc1 ZINC000049170403 206086407 /nfs/dbraw/zinc/08/64/07/206086407.db2.gz SOAPWOQRGSBHTE-AWEZNQCLSA-N 1 0 354.385 3.172 40 0 biogenic,in-vitro FGABRO C[C@@H]1C[N@@H+](C[C@@H](O)COCC(c2ccccc2)c2ccccc2)C[C@H](C)O1 ZINC000226170449 206119103 /nfs/dbraw/zinc/11/91/03/206119103.db2.gz DKCREKPEBXMOPS-XQBPLPMBSA-N 1 0 369.505 3.305 40 0 FGABRO CC1CC[NH+](C[C@@H](O)COc2c(F)cc(Br)cc2F)CC1 ZINC000005307036 206194516 /nfs/dbraw/zinc/19/45/16/206194516.db2.gz BQPSDYNEQPFMBN-GFCCVEGCSA-N 1 0 364.230 3.199 40 0 FGABRO COc1cc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc(OC)c1 ZINC000154863727 206220189 /nfs/dbraw/zinc/22/01/89/206220189.db2.gz LATYJDIMXOLKRM-UHFFFAOYSA-N 1 0 350.459 3.193 40 0 FGABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@H]([NH3+])[C@@H]2c2ccc(Br)cc2)cc1 ZINC000218232978 206369386 /nfs/dbraw/zinc/36/93/86/206369386.db2.gz WZSVTYVQNACFCI-XHSDSOJGSA-N 1 0 366.280 3.025 40 0 FGABRO CCOC[C@@]1(C[NH3+])[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218461221 206369815 /nfs/dbraw/zinc/36/98/15/206369815.db2.gz GENZUWQEDZYTAD-ACRUOGEOSA-N 1 0 373.518 3.225 40 0 FGABRO C[NH+](C)Cc1cnn(-c2ccccc2C(=O)NCCc2ccc(F)cc2)c1 ZINC000257331576 206626114 /nfs/dbraw/zinc/62/61/14/206626114.db2.gz XTLDMFUJIUIGOH-UHFFFAOYSA-N 1 0 366.440 3.046 40 0 FGABRO CCOC(=O)C1=C(C)Nc2[nH+]c3c(c(N)c2[C@H]1c1ccncc1)CCCC3 ZINC000045506754 220972878 /nfs/dbraw/zinc/97/28/78/220972878.db2.gz JYCNMGJHVNKCCF-KRWDZBQOSA-N 1 0 364.449 3.332 40 0 FGABRO COc1ccc(CN2CCCc3c(C)nc([C@@H]4CCC[NH2+]C4)nc32)cc1 ZINC000257291991 132296714 /nfs/dbraw/zinc/29/67/14/132296714.db2.gz QJMVLBBFLWPIIG-QGZVFWFLSA-N 1 0 352.482 3.213 40 0 FGABRO CC1(C)[C@H]2CC[C@]1(C)[C@H](OC[C@H](O)C[NH+]1CCN(c3ccccc3)CC1)C2 ZINC000035052923 132374528 /nfs/dbraw/zinc/37/45/28/132374528.db2.gz DNWDZSPMGCTELQ-BWKHYTDRSA-N 1 0 372.553 3.401 40 0 FGABRO CC1(C)[C@H](OC[C@@H](O)C[N@H+](CCO)Cc2ccccc2)[C@]2(C)CC[C@H]1C2 ZINC000002679800 493815233 /nfs/dbraw/zinc/81/52/33/493815233.db2.gz GLAIIEFQDDCTQE-BPBCIEFSSA-N 1 0 361.526 3.073 40 0 FGABRO CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H]([NH3+])c3ccccc3)cn2)CC1 ZINC000072225576 494145776 /nfs/dbraw/zinc/14/57/76/494145776.db2.gz UXIXLCVUHHMEQZ-IBGZPJMESA-N 1 0 368.481 3.187 40 0 FGABRO COc1cccc(C[N@@H+]2CCCC[C@H]3CN(C(=O)c4cccnc4)C[C@H]32)c1 ZINC000072330716 494152786 /nfs/dbraw/zinc/15/27/86/494152786.db2.gz LXUKOMJNVOYIFX-PZJWPPBQSA-N 1 0 365.477 3.217 40 0 FGABRO CC(=O)N1Cc2cc(C)ccc2O[C@@]2(CCC[N@H+](Cc3ccncc3)C2)C1 ZINC000072334229 494153567 /nfs/dbraw/zinc/15/35/67/494153567.db2.gz ZJRWCPOKVKCGJJ-JOCHJYFZSA-N 1 0 365.477 3.166 40 0 FGABRO CCc1ncc(C[N@@H+]2C[C@@H]3CCC[C@](O)(c4ccccc4OC)[C@@H]3C2)cn1 ZINC000072340980 494154675 /nfs/dbraw/zinc/15/46/75/494154675.db2.gz RAEYJWJNGGKLRB-KPLVRAHFSA-N 1 0 367.493 3.167 40 0 FGABRO COCCOc1ccc(C[N@@H+]2C[C@@H]3ON=C(c4ccc(C)cc4)[C@H]3C2)cc1 ZINC000072343279 494154885 /nfs/dbraw/zinc/15/48/85/494154885.db2.gz HFJSOHIMRVEYOZ-SFTDATJTSA-N 1 0 366.461 3.255 40 0 FGABRO COc1cc([C@H]2Nc3ccccc3C3=[NH+]CCCN32)cc(OC)c1OC ZINC000072342091 494154934 /nfs/dbraw/zinc/15/49/34/494154934.db2.gz LRUPNUFUCDEENT-IBGZPJMESA-N 1 0 353.422 3.289 40 0 FGABRO COc1cccc(-c2cncc([C@H]3CCC[N@H+](Cc4cnn(C)c4)C3)n2)c1 ZINC000072359725 494157214 /nfs/dbraw/zinc/15/72/14/494157214.db2.gz UYNPNMCWFRSXOU-SFHVURJKSA-N 1 0 363.465 3.265 40 0 FGABRO CN(C)C(=O)C[N@@H+]1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072358878 494157357 /nfs/dbraw/zinc/15/73/57/494157357.db2.gz ZIGYRCIEHFJUDH-OAHLLOKOSA-N 1 0 358.873 3.065 40 0 FGABRO Cc1ccc([C@]2(O)CC[C@H]3C[N@@H+](Cc4nc5ccccc5n4C)C[C@H]32)nc1 ZINC000072392563 494162084 /nfs/dbraw/zinc/16/20/84/494162084.db2.gz MUQCKFOSUDHFNA-JKSBSHDWSA-N 1 0 362.477 3.006 40 0 FGABRO COc1ccccc1C[NH2+]Cc1cc(-c2cccc(C)c2)cn2nnnc12 ZINC000072392685 494162559 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0 FGABRO CCCCCC(=O)Nc1cc(C(=O)OC)ccc1N1CC[NH+](CC)CC1 ZINC000016637798 494397604 /nfs/dbraw/zinc/39/76/04/494397604.db2.gz HZWBWEJFKUYLRM-UHFFFAOYSA-N 1 0 361.486 3.134 40 0 FGABRO Cc1ccc(C[N@@H+]2CCC[C@@H](Cn3nnc(-c4ccncc4)n3)C2)cc1C ZINC000019213996 494438393 /nfs/dbraw/zinc/43/83/93/494438393.db2.gz NHDRSBVESGHADV-LJQANCHMSA-N 1 0 362.481 3.264 40 0 FGABRO CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000019447824 494444638 /nfs/dbraw/zinc/44/46/38/494444638.db2.gz XZVIYTSVMKMUEJ-SFHVURJKSA-N 1 0 363.889 3.164 40 0 FGABRO CC[C@H]1c2ccsc2CC[N@H+]1Cc1ccc(OCC(N)=O)c(OC)c1 ZINC000019500997 494446480 /nfs/dbraw/zinc/44/64/80/494446480.db2.gz CHIXBDMHCOEFCG-HNNXBMFYSA-N 1 0 360.479 3.130 40 0 FGABRO COc1cccc(C[N@@H+]2CC[C@H](c3nc(-c4cccnc4)no3)C2)c1OC ZINC000019567635 494450596 /nfs/dbraw/zinc/45/05/96/494450596.db2.gz SIVRPSKTRGKGGI-INIZCTEOSA-N 1 0 366.421 3.138 40 0 FGABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000019575934 494451057 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372.509 3.135 40 0 FGABRO Cc1ccc2cc(C[NH2+]C[C@H](O)COc3ccc(C)c(C)c3)c(=O)[nH]c2c1 ZINC000585286449 507586120 /nfs/dbraw/zinc/58/61/20/507586120.db2.gz ZYMRPYLNVFYZIQ-IBGZPJMESA-N 1 0 366.461 3.395 40 0 FGABRO CCCC(CCC)[N@@H+]1CC[C@H](O)[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585285912 507586801 /nfs/dbraw/zinc/58/68/01/507586801.db2.gz DXHUUSXATJVCAU-OALUTQOASA-N 1 0 357.441 3.110 40 0 FGABRO OC[C@@H]1[C@H](O)[C@@H](c2ccc(Cl)cc2)C[N@@H+]1Cc1ccc2ncccc2c1 ZINC000585292980 507586986 /nfs/dbraw/zinc/58/69/86/507586986.db2.gz QMBMTHMLSHRPIV-HMXCVIKNSA-N 1 0 368.864 3.209 40 0 FGABRO O=C(Nc1ccc(Br)cc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000037518808 527157752 /nfs/dbraw/zinc/15/77/52/527157752.db2.gz XCYLSJRKBGDNBP-UHFFFAOYSA-N 1 0 351.166 3.406 40 0 FGABRO O=C(NCCC[NH+]1CCCC1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000020040021 527662112 /nfs/dbraw/zinc/66/21/12/527662112.db2.gz PCKHHPNUOVTWCM-UHFFFAOYSA-N 1 0 363.505 3.465 40 0 FGABRO CO[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)Nc2cc(F)cc(F)c2F)C1 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CC(C)[C@@H](C)NC(=O)c1ncn2c1nccc2C1CC[NH+](CC2CC2)CC1 ZINC000096267216 205870312 /nfs/dbraw/zinc/87/03/12/205870312.db2.gz WSAOBUZMKONVIK-OAHLLOKOSA-N 1 0 369.513 3.093 40 0 FGABRO c1cncc(COC[C@@]23CCCO[C@@H]2CC[N@H+](Cc2cccnc2)C3)c1 ZINC000107712289 206021035 /nfs/dbraw/zinc/02/10/35/206021035.db2.gz OXJBSEONSREVAP-RTWAWAEBSA-N 1 0 353.466 3.065 40 0 FGABRO COc1ccc(C[N@@H+]2CCC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)cc1 ZINC000107730598 206024101 /nfs/dbraw/zinc/02/41/01/206024101.db2.gz NVMMFSJYEGPZKD-RTWAWAEBSA-N 1 0 354.450 3.293 40 0 FGABRO Cc1ccc(OCCOC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1C ZINC000004942397 206183761 /nfs/dbraw/zinc/18/37/61/206183761.db2.gz JWCPBPCISMFPBK-NRFANRHFSA-N 1 0 355.478 3.118 40 0 FGABRO CCc1cccc2cc(C[NH2+]CCc3cccc(OC)c3OC)c(=O)[nH]c21 ZINC000013998844 206308279 /nfs/dbraw/zinc/30/82/79/206308279.db2.gz NLUQSMSWRUPYCZ-UHFFFAOYSA-N 1 0 366.461 3.440 40 0 FGABRO Brc1cccc(-c2ccc3nnc([C@@H]4CCCC[NH2+]4)n3n2)c1 ZINC000217564064 206364608 /nfs/dbraw/zinc/36/46/08/206364608.db2.gz ZQLOYCHDLQOXHU-AWEZNQCLSA-N 1 0 358.243 3.368 40 0 FGABRO Cc1nc([C@H]2CCC[NH2+]2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000257290509 132296803 /nfs/dbraw/zinc/29/68/03/132296803.db2.gz QDFSWTWCWXEGTP-GOSISDBHSA-N 1 0 350.466 3.122 40 0 FGABRO CCNc1nc(N2CCc3cc(Br)ccc3C2)cc(CC)[nH+]1 ZINC000328981191 132372106 /nfs/dbraw/zinc/37/21/06/132372106.db2.gz GSKKGDSEYRRXAR-UHFFFAOYSA-N 1 0 361.287 3.218 40 0 FGABRO CC(C)c1nc(N2CCc3cc([C@@H](C)O)ccc3C2)cc(N[C@H](C)CO)[nH+]1 ZINC000329019897 132372587 /nfs/dbraw/zinc/37/25/87/132372587.db2.gz NYXFIDQVYQTSII-HUUCEWRRSA-N 1 0 370.497 3.009 40 0 FGABRO Cc1ccc(N2CC[NH+](C[C@H](O)c3ccc4c(c3)CCO4)CC2)c(C)c1 ZINC000057823052 136130181 /nfs/dbraw/zinc/13/01/81/136130181.db2.gz ZLEVCZOAUPBFFT-NRFANRHFSA-N 1 0 352.478 3.094 40 0 FGABRO [NH3+]Cc1ccc(NC(=O)c2ccccc2I)cc1 ZINC000199826529 496972512 /nfs/dbraw/zinc/97/25/12/496972512.db2.gz SABINDLWCQFLDX-UHFFFAOYSA-N 1 0 352.175 3.002 40 0 FGABRO Cc1ccc(OCC(=O)Nc2ccccc2N2CC[NH+](C)CC2)c(C)c1 ZINC000057500999 493769030 /nfs/dbraw/zinc/76/90/30/493769030.db2.gz ZUOSFNFSVGUCJR-UHFFFAOYSA-N 1 0 353.466 3.073 40 0 FGABRO COCCC[NH2+]Cc1ccccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000036612750 494092728 /nfs/dbraw/zinc/09/27/28/494092728.db2.gz XRHCCNGOSZPBNF-UHFFFAOYSA-N 1 0 356.466 3.447 40 0 FGABRO C[NH+](C)CCCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000010111341 494143687 /nfs/dbraw/zinc/14/36/87/494143687.db2.gz DZUSCHKTPJJWCZ-XDJHFCHBSA-N 1 0 353.422 3.203 40 0 FGABRO CCn1cc(C[N@@H+]2C[C@@H]3CCC[C@](O)(c4ccc(F)cc4)[C@@H]3C2)c(C)n1 ZINC000072340441 494153774 /nfs/dbraw/zinc/15/37/74/494153774.db2.gz VUTKKGDZKVMGFB-DQLDELGASA-N 1 0 357.473 3.470 40 0 FGABRO COc1ccccc1C[N@@H+]1CCC[C@@H]([C@H](NC(C)=O)c2nccs2)C1 ZINC000072337740 494153817 /nfs/dbraw/zinc/15/38/17/494153817.db2.gz MXVZUPFHVQXZCO-AEFFLSMTSA-N 1 0 359.495 3.241 40 0 FGABRO CN(C)C(=O)C[NH+]1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 ZINC000072359613 494157013 /nfs/dbraw/zinc/15/70/13/494157013.db2.gz ZNMJRAGOIJIWDB-UHFFFAOYSA-N 1 0 358.873 3.065 40 0 FGABRO Cc1nc2c(c(=O)[nH]1)C[C@@H]1CC[C@H](C2)[N@H+]1Cc1ccc(OC(C)C)cc1 ZINC000072372994 494160033 /nfs/dbraw/zinc/16/00/33/494160033.db2.gz VPEZJHPWEBTPDZ-DLBZAZTESA-N 1 0 353.466 3.410 40 0 FGABRO C[NH+](C)CC(C)(C)CNC(=O)c1cc(-c2cccnc2)c2cnccc2n1 ZINC000072390604 494161867 /nfs/dbraw/zinc/16/18/67/494161867.db2.gz WBTALYUCDYQNHQ-UHFFFAOYSA-N 1 0 363.465 3.009 40 0 FGABRO COc1ccc(C(C)=O)cc1CC(=O)N1CCCC[C@@H]1C[NH+]1CCCCC1 ZINC000012219620 494215222 /nfs/dbraw/zinc/21/52/22/494215222.db2.gz SACLZXSPJIMRPQ-HXUWFJFHSA-N 1 0 372.509 3.307 40 0 FGABRO COc1ccccc1C[NH+]1CCC(O)(Cn2ccc3ncccc32)CC1 ZINC000012222696 494216285 /nfs/dbraw/zinc/21/62/85/494216285.db2.gz FHHGMRCNQUGCFG-UHFFFAOYSA-N 1 0 351.450 3.072 40 0 FGABRO Cc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@H](O)c3ccccc3)CC1)O2 ZINC000012293344 494220550 /nfs/dbraw/zinc/22/05/50/494220550.db2.gz RHBAEUWDTMCWSD-PMACEKPBSA-N 1 0 353.462 3.379 40 0 FGABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@H](O)c3ccccc3)CC1)C[C@H]2O ZINC000012293311 494220596 /nfs/dbraw/zinc/22/05/96/494220596.db2.gz NLBZCFOSXWZRHN-UXHICEINSA-N 1 0 369.461 3.079 40 0 FGABRO CC[C@H](C[NH+]1CCCCC1)NC(=O)Cc1csc(-c2ccccn2)n1 ZINC000012362966 494226502 /nfs/dbraw/zinc/22/65/02/494226502.db2.gz MUUZDPSBNIHMTO-OAHLLOKOSA-N 1 0 358.511 3.128 40 0 FGABRO Cc1ccc2c(c1)CN(C(=O)Cc1cc(F)ccc1F)[C@@H](C[NH+](C)C)CO2 ZINC000012406627 494229865 /nfs/dbraw/zinc/22/98/65/494229865.db2.gz KQHFHRXYNJTRLL-SFHVURJKSA-N 1 0 374.431 3.167 40 0 FGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000013647516 494291689 /nfs/dbraw/zinc/29/16/89/494291689.db2.gz GUXBFDKHSYAIAF-INIZCTEOSA-N 1 0 364.486 3.097 40 0 FGABRO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCCC[NH+]1CCCCC1 ZINC000013673789 494292728 /nfs/dbraw/zinc/29/27/28/494292728.db2.gz HRNIUIZMPTWKPA-UHFFFAOYSA-N 1 0 365.326 3.289 40 0 FGABRO CCOC(=O)C1=C(C)Nc2[nH+]c3c(c(N)c2[C@@H]1c1cccnc1)CCCC3 ZINC000045506745 494435005 /nfs/dbraw/zinc/43/50/05/494435005.db2.gz ONYCNUPACZTCCG-QGZVFWFLSA-N 1 0 364.449 3.332 40 0 FGABRO Cc1ccc(C)c([C@H](O)C[N@@H+]2CCC[C@@H](C(=O)N3CCCCCC3)C2)c1 ZINC000019132028 494437097 /nfs/dbraw/zinc/43/70/97/494437097.db2.gz IOWLGHNBLZEGCQ-TZIWHRDSSA-N 1 0 358.526 3.451 40 0 FGABRO OCC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(OCc2ccccc2)cc1 ZINC000019372708 494443698 /nfs/dbraw/zinc/44/36/98/494443698.db2.gz XHTSIWVHVCYVAA-YADHBBJMSA-N 1 0 366.505 3.297 40 0 FGABRO CC(C)c1cc(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCC[N@@H+]3C)[nH]n1 ZINC000019451925 494444532 /nfs/dbraw/zinc/44/45/32/494444532.db2.gz ZSJNBUAKUJXMNU-NSISKUIASA-N 1 0 370.472 3.375 40 0 FGABRO O=c1cc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)nc(-c2cccs2)[nH]1 ZINC000019401646 494444716 /nfs/dbraw/zinc/44/47/16/494444716.db2.gz JPNJEPMWWBAQOB-CQSZACIVSA-N 1 0 352.463 3.273 40 0 FGABRO CSCC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c[nH]nc1-c1ccccc1 ZINC000019574033 494450196 /nfs/dbraw/zinc/45/01/96/494450196.db2.gz DXPBKNGTRICPFK-OALUTQOASA-N 1 0 356.539 3.478 40 0 FGABRO COc1ccccc1/C=C/C[N@H+]1C[C@H]2[C@H](CC[C@]2(O)c2ccccn2)C1 ZINC000019568557 494450651 /nfs/dbraw/zinc/45/06/51/494450651.db2.gz QKMKXHCVEGSGGR-BRWWSGQTSA-N 1 0 350.462 3.333 40 0 FGABRO COc1ccc(-c2n[nH]cc2CN(CC[NH+](C)C)Cc2cccnc2)cc1 ZINC000019582638 494451509 /nfs/dbraw/zinc/45/15/09/494451509.db2.gz QFFFHCMBOOSACB-UHFFFAOYSA-N 1 0 365.481 3.044 40 0 FGABRO COc1ccc(OCCCC(=O)N2CC[C@H]3[C@H]2CCCCC[N@@H+]3C)cc1 ZINC000019712141 494455897 /nfs/dbraw/zinc/45/58/97/494455897.db2.gz UTEXRBOOVDEVPR-VQTJNVASSA-N 1 0 360.498 3.330 40 0 FGABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1OCCc2ccccc21 ZINC000019714011 494456289 /nfs/dbraw/zinc/45/62/89/494456289.db2.gz KGZJSOOKNHMDFB-NRFANRHFSA-N 1 0 350.462 3.213 40 0 FGABRO CC[C@H](C[NH+]1CCOCC1)n1cncc1-c1ccc2c(c1)CCN2CC ZINC000019719385 494458217 /nfs/dbraw/zinc/45/82/17/494458217.db2.gz GYKSBAMJKBDTLL-LJQANCHMSA-N 1 0 354.498 3.216 40 0 FGABRO Cn1cc(C(=O)Nc2nccs2)c(CC2CC[NH+](C3CCCC3)CC2)n1 ZINC000019754950 494459983 /nfs/dbraw/zinc/45/99/83/494459983.db2.gz YLMPNYOXISTKPD-UHFFFAOYSA-N 1 0 373.526 3.326 40 0 FGABRO CCC[NH+]1CCC(Cc2ncncc2C(=O)NCc2ccccc2F)CC1 ZINC000019757104 494460252 /nfs/dbraw/zinc/46/02/52/494460252.db2.gz MEZUWWCSPHUCCM-UHFFFAOYSA-N 1 0 370.472 3.210 40 0 FGABRO Cc1cc(C)c(OC[C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)c(C)c1 ZINC000027530997 494871187 /nfs/dbraw/zinc/87/11/87/494871187.db2.gz JJSWXARDAJJOIP-NRFANRHFSA-N 1 0 354.494 3.174 40 0 FGABRO Cc1ncsc1C[N@@H+]1CC[C@@H]2OCCC[C@]2(COc2cccnc2)C1 ZINC000096040049 494997314 /nfs/dbraw/zinc/99/73/14/494997314.db2.gz BMHZUFYHTAGWDH-RBUKOAKNSA-N 1 0 359.495 3.297 40 0 FGABRO Cc1noc(C)c1C[N@@H+]1CC[C@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC000096040344 494998670 /nfs/dbraw/zinc/99/86/70/494998670.db2.gz UOUGWAPGLGPUMC-UYAOXDASSA-N 1 0 357.454 3.137 40 0 FGABRO CNC(=O)C[C@H]1CC2(CC[NH+](Cc3ccncc3)CC2)Oc2ccccc21 ZINC000096053266 494999424 /nfs/dbraw/zinc/99/94/24/494999424.db2.gz PTBSOHYDHIKRGO-SFHVURJKSA-N 1 0 365.477 3.119 40 0 FGABRO COc1ccc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccnc2)C3)cc1 ZINC000096049555 494999782 /nfs/dbraw/zinc/99/97/82/494999782.db2.gz TXYDNGRURCAPJA-JOCHJYFZSA-N 1 0 367.493 3.209 40 0 FGABRO Cc1ccc(C[N@H+]2Cc3ccnn3C[C@H](COCc3ccccn3)C2)s1 ZINC000096059247 495000333 /nfs/dbraw/zinc/00/03/33/495000333.db2.gz LAUNVFSZYZHAQC-QGZVFWFLSA-N 1 0 368.506 3.497 40 0 FGABRO Cc1ccc(C[N@@H+]2CC[C@]3(CCN(S(=O)(=O)Cc4ccccc4)C3)C2)o1 ZINC000096071134 495000750 /nfs/dbraw/zinc/00/07/50/495000750.db2.gz QMHAIPABCAJMTM-FQEVSTJZSA-N 1 0 374.506 3.016 40 0 FGABRO Cc1ncsc1C[N@@H+]1CCC[C@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC000096107515 495001663 /nfs/dbraw/zinc/00/16/63/495001663.db2.gz IAVGDWNUPMIGNT-HKUYNNGSSA-N 1 0 359.495 3.187 40 0 FGABRO COC[C@@H]1CCC2(CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)[N@@H+]1C ZINC000096207879 495006606 /nfs/dbraw/zinc/00/66/06/495006606.db2.gz FLONCDTVJJAPRP-AWEZNQCLSA-N 1 0 354.853 3.195 40 0 FGABRO Cc1ccc(C[NH+]2CCC3(CC2)O[C@@H](C(=O)N(C)C)c2ccccc23)o1 ZINC000096187363 495006874 /nfs/dbraw/zinc/00/68/74/495006874.db2.gz HLLRGGNIFQLYJZ-LJQANCHMSA-N 1 0 354.450 3.239 40 0 FGABRO Cc1ccc(C[N@H+]2CC[C@]3(C[C@H](N(C)Cc4ccccn4)CO3)C2)s1 ZINC000096219863 495007470 /nfs/dbraw/zinc/00/74/70/495007470.db2.gz VPRXMYIKZUOSJM-ICSRJNTNSA-N 1 0 357.523 3.317 40 0 FGABRO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4ccco4)C3)C2)c1 ZINC000096215600 495007830 /nfs/dbraw/zinc/00/78/30/495007830.db2.gz YTLMTNRUFFZJRN-OAQYLSRUSA-N 1 0 354.450 3.417 40 0 FGABRO CC1=N[C@@]2(CC[C@@H]3C[N@H+](Cc4cccc(C)c4)C[C@@H]32)C(=O)N1CC1CC1 ZINC000096261474 495008665 /nfs/dbraw/zinc/00/86/65/495008665.db2.gz IKDXVTOWDVBISS-RZUBCFFCSA-N 1 0 351.494 3.246 40 0 FGABRO CCC1=N[C@@]2(CC[C@@H]3C[N@H+](Cc4ccccc4F)C[C@@H]32)C(=O)N1CC1CC1 ZINC000096261640 495008800 /nfs/dbraw/zinc/00/88/00/495008800.db2.gz UUGXGVITOFBPPU-TVTNDZMWSA-N 1 0 369.484 3.467 40 0 FGABRO COc1ccccc1C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000264228857 496845163 /nfs/dbraw/zinc/84/51/63/496845163.db2.gz XICXMQBQMAAGRQ-UHFFFAOYSA-N 1 0 350.462 3.358 40 0 FGABRO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4ccc(F)cc4)[C@H]3C2)cc1O ZINC000247871508 496923828 /nfs/dbraw/zinc/92/38/28/496923828.db2.gz DRWDJBPALHWASJ-UQASEVPWSA-N 1 0 357.425 3.270 40 0 FGABRO Cc1ncsc1C[N@@H+]1CC[C@H]2OCCC[C@@]2(COc2cccnc2)C1 ZINC000248000032 496941524 /nfs/dbraw/zinc/94/15/24/496941524.db2.gz BMHZUFYHTAGWDH-MOPGFXCFSA-N 1 0 359.495 3.297 40 0 FGABRO C[NH+](C)CC[C@@H]1CN(C(=O)Cc2csc3ccccc23)Cc2cncn21 ZINC000248106493 496954848 /nfs/dbraw/zinc/95/48/48/496954848.db2.gz IVUDVIINJFEIQJ-MRXNPFEDSA-N 1 0 368.506 3.176 40 0 FGABRO Cc1ccsc1C(=O)N1CC2(C1)CC[C@H](C[N@@H+](C)Cc1ccco1)CO2 ZINC000248116096 496955377 /nfs/dbraw/zinc/95/53/77/496955377.db2.gz LPQFOEAHEMUHAX-MRXNPFEDSA-N 1 0 374.506 3.403 40 0 FGABRO CC(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c1 ZINC000223214010 497032915 /nfs/dbraw/zinc/03/29/15/497032915.db2.gz PVWRXACJFITENJ-RTBURBONSA-N 1 0 371.554 3.388 40 0 FGABRO CC(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c1 ZINC000223214111 497033655 /nfs/dbraw/zinc/03/36/55/497033655.db2.gz PVWRXACJFITENJ-RBUKOAKNSA-N 1 0 371.554 3.388 40 0 FGABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C(C)(C)C)c1 ZINC000223262448 497034427 /nfs/dbraw/zinc/03/44/27/497034427.db2.gz XJTSCTYIYWHIQW-ROUUACIJSA-N 1 0 371.554 3.172 40 0 FGABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCOc3ccccc3)CC2)cc1 ZINC000224530229 497049971 /nfs/dbraw/zinc/04/99/71/497049971.db2.gz CYLXWZSQAGARNT-UHFFFAOYSA-N 1 0 352.478 3.402 40 0 FGABRO Cc1ccc2[nH+]c(C)cc(NCCNC(=S)Nc3ncccn3)c2c1 ZINC000225216697 497058245 /nfs/dbraw/zinc/05/82/45/497058245.db2.gz SCVSDTSZXKELQP-UHFFFAOYSA-N 1 0 352.467 3.040 40 0 FGABRO COc1ccccc1NC(=S)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000225210814 497058312 /nfs/dbraw/zinc/05/83/12/497058312.db2.gz IFQKVGLTILDWRI-UHFFFAOYSA-N 1 0 367.518 3.177 40 0 FGABRO CCOC(=O)c1ccc(NC(=S)NCCC[NH+]2CCCC2)cc1Cl ZINC000225434492 497063117 /nfs/dbraw/zinc/06/31/17/497063117.db2.gz CBRIWELJXCQQCT-UHFFFAOYSA-N 1 0 369.918 3.289 40 0 FGABRO CCN(CC)Cc1nc(C2(O)CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000225462664 497063766 /nfs/dbraw/zinc/06/37/66/497063766.db2.gz DUIXCJXKXYCNGO-UHFFFAOYSA-N 1 0 359.539 3.469 40 0 biogenic,in-vitro FGABRO Cc1n[nH]cc1C[NH+]1CCC(c2nccnc2Nc2ncccc2C)CC1 ZINC000257242677 497394546 /nfs/dbraw/zinc/39/45/46/497394546.db2.gz IDRDMCDYOBEOQB-UHFFFAOYSA-N 1 0 363.469 3.335 40 0 FGABRO NC(=O)c1sc2ncccc2c1C1CC[NH+](Cc2cncs2)CC1 ZINC000257255216 497394861 /nfs/dbraw/zinc/39/48/61/497394861.db2.gz KGPAZIQOBUNDBM-UHFFFAOYSA-N 1 0 358.492 3.231 40 0 FGABRO Cc1ncsc1C[N@H+]1CCC[C@H](c2cncc(-c3cncn3C)n2)C1 ZINC000257248922 497395374 /nfs/dbraw/zinc/39/53/74/497395374.db2.gz JFUXBBRCVVBIKB-AWEZNQCLSA-N 1 0 354.483 3.022 40 0 FGABRO Cn1cc(CN2CCO[C@@H](c3cccc(Cc4ccccc4F)n3)C2)cn1 ZINC000257275236 497398594 /nfs/dbraw/zinc/39/85/94/497398594.db2.gz NOMGRKPOQCJBFI-OAQYLSRUSA-N 1 0 366.440 3.119 40 0 FGABRO Cc1csc(Nc2cc(C)nc([C@@H]3CC[N@@H+](C4CCOCC4)C3)n2)n1 ZINC000257290793 497399099 /nfs/dbraw/zinc/39/90/99/497399099.db2.gz QEIWFFDCPSKJND-CQSZACIVSA-N 1 0 359.499 3.262 40 0 FGABRO CCN(C(=O)CCOC)[C@H]1C[C@@H](c2ccccc2)OC2(CC[NH+](C)CC2)C1 ZINC000257316091 497402501 /nfs/dbraw/zinc/40/25/01/497402501.db2.gz VEBSHBJNUAGXHI-PMACEKPBSA-N 1 0 374.525 3.256 40 0 FGABRO CNc1ncccc1C[N@@H+]1CCC[C@H](c2ccc3c(C)nn(C)c3n2)C1 ZINC000257342851 497405565 /nfs/dbraw/zinc/40/55/65/497405565.db2.gz ZQJHRLPOYKRPBK-HNNXBMFYSA-N 1 0 350.470 3.093 40 0 FGABRO CC(C)n1nccc1[C@@H]1C[N@H+](Cc2ccsc2)C[C@]12CCCN(C)C2=O ZINC000306125160 498737223 /nfs/dbraw/zinc/73/72/23/498737223.db2.gz CIDSBDXXFYZWGD-FXAWDEMLSA-N 1 0 372.538 3.364 40 0 FGABRO Cc1cncc(COCC[C@H]2CCOC3(CN(Cc4cccnc4)C3)C2)c1 ZINC000306126191 498737245 /nfs/dbraw/zinc/73/72/45/498737245.db2.gz DPERSWANLCIMNB-IBGZPJMESA-N 1 0 367.493 3.373 40 0 FGABRO CN1Cc2nnc(-c3cccnc3)n2C2(CC[NH+](CCC(C)(C)C)CC2)C1 ZINC000306129202 498738930 /nfs/dbraw/zinc/73/89/30/498738930.db2.gz HXLXFLIGMXEYSZ-UHFFFAOYSA-N 1 0 368.529 3.013 40 0 FGABRO Cc1ccsc1C[NH+]1CCC2(CC1)c1ccccc1N(C)S2(=O)=O ZINC000306135483 498740083 /nfs/dbraw/zinc/74/00/83/498740083.db2.gz OSGMWEYLJPSLBB-UHFFFAOYSA-N 1 0 362.520 3.327 40 0 FGABRO C#[N+]c1ccc(-c2c(-c3cnn(C)c3)ncn2CCc2cnn(C)c2)cc1 ZINC000584567167 507414762 /nfs/dbraw/zinc/41/47/62/507414762.db2.gz YLKQMFOLOCAPNZ-UHFFFAOYSA-N 1 0 357.421 3.478 40 0 FGABRO O=C(C[C@H]1Cn2cccc2C[N@H+](Cc2ccsc2)C1)NCc1ccco1 ZINC000585099116 507566082 /nfs/dbraw/zinc/56/60/82/507566082.db2.gz MUFSOJCIJQEVBG-QGZVFWFLSA-N 1 0 369.490 3.481 40 0 FGABRO O=C(c1ccc(O)cc1)N1CCC[C@@]2(CCC[N@@H+]2C[C@H]2CCCO2)CC1 ZINC000585100435 507568362 /nfs/dbraw/zinc/56/83/62/507568362.db2.gz KNOSBLGIUSKMKL-TZIWHRDSSA-N 1 0 358.482 3.032 40 0 FGABRO COC[C@H]1C[N@H+](Cc2cccs2)CC12CCN(C(=O)C(C)(C)C)CC2 ZINC000585102745 507568622 /nfs/dbraw/zinc/56/86/22/507568622.db2.gz CVBKMZMKRCWVBR-MRXNPFEDSA-N 1 0 364.555 3.481 40 0 FGABRO Cc1c[nH]c(-c2cc(C[C@H]3CC[N@H+](Cc4scnc4C)C3)ncn2)n1 ZINC000585178854 507580704 /nfs/dbraw/zinc/58/07/04/507580704.db2.gz QOGOHRLKDHQCPA-CQSZACIVSA-N 1 0 354.483 3.005 40 0 FGABRO Fc1ccc2ncc(-c3cccc(C[C@H]4COC5(C4)CC[NH2+]CC5)n3)n2c1 ZINC000585262773 507582887 /nfs/dbraw/zinc/58/28/87/507582887.db2.gz DMANZPHBGOFVQT-OAHLLOKOSA-N 1 0 366.440 3.237 40 0 FGABRO CC(=O)N1CC[C@@H]2[C@H]1CCCC[N@@H+]2C[C@@]1(O)CC[C@H](C(C)(C)C)CC1 ZINC000585285516 507584709 /nfs/dbraw/zinc/58/47/09/507584709.db2.gz ZCFJXHQURDYKMH-XCJLJZCSSA-N 1 0 350.547 3.429 40 0 FGABRO Cc1cc(C)n(CCC[NH2+][C@H]2CCC[C@@H](Oc3cccc(C)c3)[C@@H]2O)n1 ZINC000585289342 507585645 /nfs/dbraw/zinc/58/56/45/507585645.db2.gz QCCRWXDQZKJMRQ-PWRODBHTSA-N 1 0 357.498 3.149 40 0 FGABRO Cc1nn(CC[NH2+][C@H]2CCC[C@@H](Oc3cccc(C)c3)[C@@H]2O)c(C)c1C ZINC000585289652 507586444 /nfs/dbraw/zinc/58/64/44/507586444.db2.gz LNVQMNRPRMHCSC-PWRODBHTSA-N 1 0 357.498 3.067 40 0 FGABRO Cc1n[nH]c(C)c1CCC[NH2+][C@H]1CCC[C@@H](Oc2ccccc2C)[C@@H]1O ZINC000585289420 507587112 /nfs/dbraw/zinc/58/71/12/507587112.db2.gz JHFCMOBSSKNYPP-CEWLAPEOSA-N 1 0 357.498 3.218 40 0 FGABRO CCC[N@H+]1C[C@@H]2[C@H](C1)Oc1cc(-c3cccc(OC)c3)ccc1C(=O)N2C ZINC000514288716 560034084 /nfs/dbraw/zinc/03/40/84/560034084.db2.gz ARXQDQAASZAAME-CTNGQTDRSA-N 1 0 366.461 3.289 40 0 biogenic,in-vitro FGABRO CC[NH+](CC)C/C(C)=C(/c1ccccc1)c1ccccc1S(N)(=O)=O ZINC000001557402 204011901 /nfs/dbraw/zinc/01/19/01/204011901.db2.gz XNSRSQRZHIOLTM-SILNSSARSA-N 1 0 358.507 3.498 40 0 FGABRO CCCC[NH+](CCCC)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000001677260 204016037 /nfs/dbraw/zinc/01/60/37/204016037.db2.gz JDXGPSKLQAEOFK-UHFFFAOYSA-N 1 0 352.500 3.123 40 0 FGABRO C[C@@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)[C@H]1CCCC[N@@H+]1C ZINC000001693014 204017527 /nfs/dbraw/zinc/01/75/27/204017527.db2.gz AYEXHPIWIMINEM-YLJYHZDGSA-N 1 0 353.462 3.339 40 0 FGABRO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(Br)cc1 ZINC000005672808 204220986 /nfs/dbraw/zinc/22/09/86/204220986.db2.gz BSMSXZZANUSLQQ-GOEBONIOSA-N 1 0 351.288 3.443 40 0 FGABRO COC(=O)c1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)cc1 ZINC000100809374 205950504 /nfs/dbraw/zinc/95/05/04/205950504.db2.gz GGPQKTKQYXPORX-CALCHBBNSA-N 1 0 362.470 3.399 40 0 FGABRO COc1cc(OC)cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3CC(C)C)c1 ZINC000004886582 206184058 /nfs/dbraw/zinc/18/40/58/206184058.db2.gz OPMDONYEAKDZQR-AYHJJNSGSA-N 1 0 360.498 3.475 40 0 FGABRO COc1cccc(O[C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000224787292 206464594 /nfs/dbraw/zinc/46/45/94/206464594.db2.gz NKKZROGNFGCEPO-QGZVFWFLSA-N 1 0 368.477 3.375 40 0 FGABRO COc1cccc2cc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)oc21 ZINC000113942077 132247093 /nfs/dbraw/zinc/24/70/93/132247093.db2.gz WQWLLOYYCPJTAO-UHFFFAOYSA-N 1 0 365.433 3.446 40 0 FGABRO C[N@H+]1[C@@H]2CC[C@H]1CC(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2 ZINC000000880493 493778157 /nfs/dbraw/zinc/77/81/57/493778157.db2.gz XXVZGWNHSCGMCT-YOFSQIOKSA-N 1 0 351.446 3.091 40 0 FGABRO CC(=O)Nc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000030943454 493914203 /nfs/dbraw/zinc/91/42/03/493914203.db2.gz XRKDXXFWGMHDQR-SFHVURJKSA-N 1 0 351.450 3.496 40 0 FGABRO COc1cc(CC[NH+]2CCN(c3cccc(F)c3)CC2)cc(OC)c1OC ZINC000005335081 493926131 /nfs/dbraw/zinc/92/61/31/493926131.db2.gz HUOSDOMOAJELGU-UHFFFAOYSA-N 1 0 374.456 3.216 40 0 FGABRO COc1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1OC ZINC000032462097 493991385 /nfs/dbraw/zinc/99/13/85/493991385.db2.gz YSKPLUJWHYDSCY-UHFFFAOYSA-N 1 0 354.450 3.230 40 0 FGABRO C[C@H]1CCC[C@H]1OC[C@H](O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000035093029 494071726 /nfs/dbraw/zinc/07/17/26/494071726.db2.gz MPHGQTBMNKPRGJ-KFKAGJAMSA-N 1 0 352.906 3.028 40 0 FGABRO C[C@H]1C[NH+](C[C@H](O)COCC(c2ccccc2)c2ccccc2)C[C@H](C)O1 ZINC000040373076 494141352 /nfs/dbraw/zinc/14/13/52/494141352.db2.gz DKCREKPEBXMOPS-IPJJNNNSSA-N 1 0 369.505 3.305 40 0 FGABRO C[C@H](C[N@@H+]1C[C@@H]2C[C@@H](O)CN2C[C@@H]1Cc1ccccc1)c1ccccc1 ZINC000072325158 494151628 /nfs/dbraw/zinc/15/16/28/494151628.db2.gz SQWUEUFKJRLJIY-HGSOSGBHSA-N 1 0 350.506 3.152 40 0 FGABRO COCCOc1ccc(C[N@@H+]2C[C@@H]3ON=C(c4cccc(C)c4)[C@H]3C2)cc1 ZINC000072343243 494154616 /nfs/dbraw/zinc/15/46/16/494154616.db2.gz ZJGKHUBLIFQSFF-SFTDATJTSA-N 1 0 366.461 3.255 40 0 FGABRO CN(C)C(=O)C[NH+]1CCC(c2cccc(Cc3ccccc3F)n2)CC1 ZINC000072349521 494155985 /nfs/dbraw/zinc/15/59/85/494155985.db2.gz VDPNKXVIBGOHEZ-UHFFFAOYSA-N 1 0 355.457 3.079 40 0 FGABRO O=c1cc([C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)nc(-c2ccncc2)[nH]1 ZINC000072392895 494161681 /nfs/dbraw/zinc/16/16/81/494161681.db2.gz CTKJMSDKTLCOEI-QGZVFWFLSA-N 1 0 364.424 3.351 40 0 FGABRO O=c1cc([C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)nc(-c2ccccn2)[nH]1 ZINC000072393197 494163692 /nfs/dbraw/zinc/16/36/92/494163692.db2.gz QPNLPVLZBKFVLL-INIZCTEOSA-N 1 0 364.424 3.351 40 0 FGABRO CC(C)C(=O)N[C@@H](c1nccs1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000012089233 494203623 /nfs/dbraw/zinc/20/36/23/494203623.db2.gz KWTNRZXSRYNGQH-DLBZAZTESA-N 1 0 358.511 3.264 40 0 FGABRO C[C@@H](O)C[N@H+](Cc1c[nH]nc1-c1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000012116727 494206125 /nfs/dbraw/zinc/20/61/25/494206125.db2.gz YHLUIRGDFGGDKK-OAHLLOKOSA-N 1 0 365.433 3.188 40 0 FGABRO COc1cc2c(cc1C[N@@H+](Cc1ccc3c(c1)OCO3)C[C@H](C)O)CCC2 ZINC000012185859 494211944 /nfs/dbraw/zinc/21/19/44/494211944.db2.gz MCMYXBLXUSDLMW-HNNXBMFYSA-N 1 0 369.461 3.296 40 0 FGABRO Cc1nn(CCC(=O)NC2CC[NH+](Cc3cccc(F)c3)CC2)c(C)c1C ZINC000012201647 494213454 /nfs/dbraw/zinc/21/34/54/494213454.db2.gz CVGOIYVATLPISK-UHFFFAOYSA-N 1 0 372.488 3.118 40 0 FGABRO CCc1cc(C(=O)N2Cc3cc(C)ccc3OC3(CC[NH+](C)CC3)C2)on1 ZINC000012228248 494215617 /nfs/dbraw/zinc/21/56/17/494215617.db2.gz KVFQYUFXSPMMFO-UHFFFAOYSA-N 1 0 369.465 3.045 40 0 FGABRO CN(CC[NH+]1CCCCC1)C(=O)Cc1csc(-c2ccccc2F)n1 ZINC000012238128 494216220 /nfs/dbraw/zinc/21/62/20/494216220.db2.gz BVUVFJLJEPRPDX-UHFFFAOYSA-N 1 0 361.486 3.436 40 0 FGABRO COc1ccc2c(c1)c(C[N@@H+]1CC[C@@H](c3ccccc3)C1)cn2CC(N)=O ZINC000012363916 494226514 /nfs/dbraw/zinc/22/65/14/494226514.db2.gz NOPUAROMQXEKLT-QGZVFWFLSA-N 1 0 363.461 3.125 40 0 FGABRO [NH3+]C1CCN(c2cc(C(F)(F)F)c3cn(C4CCCC4)nc3n2)CC1 ZINC000012398914 494229729 /nfs/dbraw/zinc/22/97/29/494229729.db2.gz PPJOMHUUIOTNTF-UHFFFAOYSA-N 1 0 353.392 3.493 40 0 FGABRO CC1(C)CC(NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)CC(C)(C)[NH2+]1 ZINC000042646300 494233653 /nfs/dbraw/zinc/23/36/53/494233653.db2.gz ZPQPRGKHHLWOER-UHFFFAOYSA-N 1 0 371.403 3.069 40 0 FGABRO CCOC(=O)C1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000013679455 494293573 /nfs/dbraw/zinc/29/35/73/494293573.db2.gz MVKOYEYNUAUXKK-UHFFFAOYSA-N 1 0 358.482 3.088 40 0 FGABRO COc1ccccc1OCCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000018075598 494423263 /nfs/dbraw/zinc/42/32/63/494423263.db2.gz MUTRRJRPDWIPIJ-UHFFFAOYSA-N 1 0 368.477 3.490 40 0 FGABRO COc1cccc(C[N@@H+]2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)c1 ZINC000019129302 494435797 /nfs/dbraw/zinc/43/57/97/494435797.db2.gz UGGGVFRPNXKEGM-INIZCTEOSA-N 1 0 351.454 3.008 40 0 FGABRO Cc1nccn1CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc2cccnc21 ZINC000019287785 494439141 /nfs/dbraw/zinc/43/91/41/494439141.db2.gz CUIWBETZPMKSSG-RLAPIPATSA-N 1 0 362.477 3.298 40 0 FGABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nn(C)c4ncccc34)C2)cc1OC ZINC000019289488 494440856 /nfs/dbraw/zinc/44/08/56/494440856.db2.gz IMHBPDVEGVKDBL-MRXNPFEDSA-N 1 0 366.465 3.365 40 0 FGABRO CC1CCN(C(=O)c2cc([C@H]3CCC[N@H+](Cc4cccnc4)C3)no2)CC1 ZINC000019496765 494445901 /nfs/dbraw/zinc/44/59/01/494445901.db2.gz ATZHSUPEYOFJPT-SFHVURJKSA-N 1 0 368.481 3.321 40 0 FGABRO C[C@H]1CCCC[N@@H+]1CC(=O)N1CCC(c2nc3ccccc3cc2N)CC1 ZINC000019496338 494446397 /nfs/dbraw/zinc/44/63/97/494446397.db2.gz BBLAZTQPRHNJLW-INIZCTEOSA-N 1 0 366.509 3.397 40 0 FGABRO CCc1nccn1C[C@@H](C)C(=O)N1CCCC[C@@H]1C[NH+]1CCCCCC1 ZINC000019523553 494447085 /nfs/dbraw/zinc/44/70/85/494447085.db2.gz XYRNGZFQEOGKTI-RTBURBONSA-N 1 0 360.546 3.339 40 0 FGABRO CCOc1cc(C[N@@H+]2CCC[C@H](c3nc(C)c(C)c(=O)[nH]3)C2)ccc1OC ZINC000019531992 494447163 /nfs/dbraw/zinc/44/71/63/494447163.db2.gz UGDLQTLXGZAOKX-KRWDZBQOSA-N 1 0 371.481 3.174 40 0 FGABRO CCN1c2ncccc2C(=O)NC12CC[NH+](Cc1sccc1C)CC2 ZINC000019528314 494447570 /nfs/dbraw/zinc/44/75/70/494447570.db2.gz YMXRXXCTESCQBF-UHFFFAOYSA-N 1 0 356.495 3.014 40 0 FGABRO CCOc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3N2CCOCC2)cc1OC ZINC000019533703 494448814 /nfs/dbraw/zinc/44/88/14/494448814.db2.gz JALYWSCHUIYOPH-QIDMFYOTSA-N 1 0 374.525 3.027 40 0 FGABRO COc1ccccc1C(=O)N1C[C@H]2CC[C@@H](CC1=O)[N@@H+]2Cc1ccccc1 ZINC000019568571 494450160 /nfs/dbraw/zinc/45/01/60/494450160.db2.gz PXURSLVMHIZNTH-ZWKOTPCHSA-N 1 0 364.445 3.101 40 0 FGABRO COc1cccc([C@H]2CN(Cc3ccccc3OC)[C@@H]3CCC[NH2+][C@@H]32)c1 ZINC000019566488 494450534 /nfs/dbraw/zinc/45/05/34/494450534.db2.gz ARZQXWWENDSWKH-KCZVDYSFSA-N 1 0 352.478 3.424 40 0 FGABRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](c3nn(C)c4nccnc34)C2)cc1C ZINC000019567310 494450658 /nfs/dbraw/zinc/45/06/58/494450658.db2.gz AOMCKCOQWUQXMQ-MRXNPFEDSA-N 1 0 365.481 3.368 40 0 FGABRO C[NH+](C)Cc1cc(-c2ccccc2F)nn1CCNC(=O)[C@H]1CC=CCC1 ZINC000019583419 494451490 /nfs/dbraw/zinc/45/14/90/494451490.db2.gz FOCLYDHUXMPBSH-INIZCTEOSA-N 1 0 370.472 3.223 40 0 FGABRO C[C@@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000019575268 494451569 /nfs/dbraw/zinc/45/15/69/494451569.db2.gz ZIENODVQWPXTOT-BPLDGKMQSA-N 1 0 364.848 3.378 40 0 FGABRO C[NH+]1CCC(c2ncc3c(n2)CCN(C(=O)CC2CCCCC2)C3)CC1 ZINC000019588258 494451584 /nfs/dbraw/zinc/45/15/84/494451584.db2.gz SKJVZEAXSAZEGO-UHFFFAOYSA-N 1 0 356.514 3.141 40 0 FGABRO Cc1noc(C)c1C(=O)N(C)C1CCC2(CC1)C[NH2+]Cc1ccccc1O2 ZINC000019579744 494451818 /nfs/dbraw/zinc/45/18/18/494451818.db2.gz AWKLHOOBBIOKTL-UHFFFAOYSA-N 1 0 369.465 3.227 40 0 FGABRO CCOc1ccc(C[N@@H+]2CCCCC[C@@H]3[C@@H]2CCN3C(C)=O)cc1OC ZINC000019712313 494456450 /nfs/dbraw/zinc/45/64/50/494456450.db2.gz SHNHPZRFCPVAHL-RBUKOAKNSA-N 1 0 360.498 3.459 40 0 FGABRO C[C@]12C[C@@H](Cc3ccccc3)[NH2+][C@H]1CCCCCN2C(=O)c1cc[nH]n1 ZINC000019713451 494456573 /nfs/dbraw/zinc/45/65/73/494456573.db2.gz AIZKIYIXACMRKF-LMNJBCLMSA-N 1 0 352.482 3.158 40 0 FGABRO Cc1c(-c2cncn2[C@H](C)C[NH+]2CCOCC2)c(-c2ccccc2)nn1C ZINC000019719399 494459012 /nfs/dbraw/zinc/45/90/12/494459012.db2.gz PDTXKAVBPANXFH-MRXNPFEDSA-N 1 0 365.481 3.152 40 0 FGABRO CC(C)(C)OC(=O)N1CC(C[NH2+]Cc2cccc(Br)c2)C1 ZINC000090550250 494479888 /nfs/dbraw/zinc/47/98/88/494479888.db2.gz XZGVIZZHWXTKAF-UHFFFAOYSA-N 1 0 355.276 3.406 40 0 FGABRO CCCc1ncc(CN(Cc2ccccn2)C[C@H]2CCC[N@@H+]2CC)cn1 ZINC000023247790 494558548 /nfs/dbraw/zinc/55/85/48/494558548.db2.gz DJUURZSDQCILRU-HXUWFJFHSA-N 1 0 353.514 3.311 40 0 FGABRO CN1CCn2c(-c3ccccc3)cnc2C12CC[NH+](Cc1ccccn1)CC2 ZINC000096036986 494997053 /nfs/dbraw/zinc/99/70/53/494997053.db2.gz MLIFUFSQJMTHBY-UHFFFAOYSA-N 1 0 373.504 3.382 40 0 FGABRO c1cc(C[NH+]2CCC(c3nc4ccc(N5CCCC5)cn4n3)CC2)co1 ZINC000096038266 494997634 /nfs/dbraw/zinc/99/76/34/494997634.db2.gz QRNWVVXJVFDKKC-UHFFFAOYSA-N 1 0 351.454 3.302 40 0 FGABRO COc1ccc(C[NH+]2CCC3(CCN(C(=O)c4cccnc4)C3)CC2)cc1 ZINC000096046569 494998114 /nfs/dbraw/zinc/99/81/14/494998114.db2.gz KDQXDDTXKCBJEJ-UHFFFAOYSA-N 1 0 365.477 3.219 40 0 FGABRO Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC000096056637 494999386 /nfs/dbraw/zinc/99/93/86/494999386.db2.gz VYPBGVQPCLQZDK-WOJBJXKFSA-N 1 0 353.441 3.295 40 0 FGABRO Cc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)s1 ZINC000096057947 495000128 /nfs/dbraw/zinc/00/01/28/495000128.db2.gz BXPFGIGCQUQSDX-IPMKNSEASA-N 1 0 351.512 3.232 40 0 FGABRO O=C1N(Cc2cccnc2)CC[C@@]12CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096048625 495000259 /nfs/dbraw/zinc/00/02/59/495000259.db2.gz UVQJPEYUAQYYPN-OAQYLSRUSA-N 1 0 353.441 3.235 40 0 FGABRO Cc1ccsc1C[N@@H+]1CC[C@H]2C[C@@H](C(=O)Nc3cccnc3)O[C@H]2C1 ZINC000096065493 495000900 /nfs/dbraw/zinc/00/09/00/495000900.db2.gz SUCXTXDTVQHTOX-XIRDDKMYSA-N 1 0 357.479 3.070 40 0 FGABRO Cc1noc(C)c1C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccsc1)C2 ZINC000096158109 495005974 /nfs/dbraw/zinc/00/59/74/495005974.db2.gz CBVNYLKGROVINV-IBGZPJMESA-N 1 0 359.495 3.481 40 0 FGABRO Cc1csc(C[N@@H+]2CC[C@H]3OCC[C@@]3(COCc3ccncc3)C2)n1 ZINC000096208746 495006258 /nfs/dbraw/zinc/00/62/58/495006258.db2.gz REYQGDSBXPKKAZ-MJGOQNOKSA-N 1 0 359.495 3.044 40 0 FGABRO O=C(NC1CC1)[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cccc3ccccc32)O1 ZINC000096186966 495006564 /nfs/dbraw/zinc/00/65/64/495006564.db2.gz YEZSOACBVNDTGF-NJYVYQBISA-N 1 0 350.462 3.240 40 0 FGABRO O=C(N[C@@H]1CCO[C@]2(CC[N@H+](Cc3ccsc3)C2)C1)c1ccccc1 ZINC000096208274 495006704 /nfs/dbraw/zinc/00/67/04/495006704.db2.gz GLSRILFUASFUSD-UYAOXDASSA-N 1 0 356.491 3.302 40 0 FGABRO CC(C)CNC(=O)C1=NO[C@]2(CC[N@H+](Cc3ccc(C(C)C)cc3)C2)C1 ZINC000096225470 495007318 /nfs/dbraw/zinc/00/73/18/495007318.db2.gz KGEIRWBLXKZFOB-OAQYLSRUSA-N 1 0 357.498 3.303 40 0 FGABRO CCOC[C@H]1CCC2(CCN(C(=O)CCc3ccccc3C)CC2)[N@@H+]1C ZINC000096215250 495007344 /nfs/dbraw/zinc/00/73/44/495007344.db2.gz PUYPOYZLMXDQIJ-HXUWFJFHSA-N 1 0 358.526 3.420 40 0 FGABRO CC[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3ccc(-n4cccc4)cc3)C2)C1 ZINC000096228864 495007685 /nfs/dbraw/zinc/00/76/85/495007685.db2.gz YIPRWLTUCGKHDD-JOCHJYFZSA-N 1 0 367.493 3.052 40 0 FGABRO CC[N@@H+]1C[C@@H](COC)[C@]2(CCN(C(=O)c3ccc4ccccc4c3)C2)C1 ZINC000096220028 495008004 /nfs/dbraw/zinc/00/80/04/495008004.db2.gz ZCZLFGFIWZYVEG-RBBKRZOGSA-N 1 0 352.478 3.270 40 0 FGABRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)c1ccc(C)c(C)c1)C2 ZINC000096217900 495008028 /nfs/dbraw/zinc/00/80/28/495008028.db2.gz NBTIUMSTPLLYGQ-IFMALSPDSA-N 1 0 356.510 3.124 40 0 FGABRO CC(C)[NH+]1CCC2(CC1)C[C@H](NCc1cnn(C)c1)c1ccccc1O2 ZINC000096242717 495008744 /nfs/dbraw/zinc/00/87/44/495008744.db2.gz MPHLATYDUFEWJD-IBGZPJMESA-N 1 0 354.498 3.277 40 0 FGABRO FC1(F)CCN(Cc2cccnc2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC000096239798 495008759 /nfs/dbraw/zinc/00/87/59/495008759.db2.gz IHKOBDGAENJKPJ-IBGZPJMESA-N 1 0 358.436 3.210 40 0 FGABRO Fc1cccnc1N1CC[C@@]2(C1)C[N@H+](Cc1ccccn1)CCC2(F)F ZINC000096239641 495009059 /nfs/dbraw/zinc/00/90/59/495009059.db2.gz QVFVCMWUJIGJJJ-SFHVURJKSA-N 1 0 362.399 3.353 40 0 FGABRO O=C1C[C@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1c1ccccc1Cl ZINC000101319336 495068135 /nfs/dbraw/zinc/06/81/35/495068135.db2.gz WDTXDDHQSOQRCW-KRWDZBQOSA-N 1 0 367.836 3.286 40 0 FGABRO C[N@@H+](Cc1ccco1)C[C@@H]1CCC2(CN(C(=O)c3ccccc3F)C2)OC1 ZINC000248110115 496954993 /nfs/dbraw/zinc/95/49/93/496954993.db2.gz KAQUESWBTISWSB-INIZCTEOSA-N 1 0 372.440 3.172 40 0 FGABRO CSc1nnc(NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)s1 ZINC000225823400 497076608 /nfs/dbraw/zinc/07/66/08/497076608.db2.gz FVPYUUNUCQWWLH-UHFFFAOYSA-N 1 0 362.524 3.419 40 0 FGABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@H]([NH3+])[C@H]2c2ccc(Br)cc2)cc1 ZINC000252516802 497309327 /nfs/dbraw/zinc/30/93/27/497309327.db2.gz WZSVTYVQNACFCI-OAGGEKHMSA-N 1 0 366.280 3.025 40 0 FGABRO CNc1cc(C)[nH+]c([C@H]2CN(C(=O)CCc3cccc(F)c3)CCO2)c1 ZINC000257234597 497392949 /nfs/dbraw/zinc/39/29/49/497392949.db2.gz GUHASZYFARHUKM-LJQANCHMSA-N 1 0 357.429 3.104 40 0 FGABRO Cc1ncsc1C[N@@H+]1CCC[C@@H](c2cnc(Nc3cnccn3)cn2)C1 ZINC000257256846 497396828 /nfs/dbraw/zinc/39/68/28/497396828.db2.gz KNCNYDUBUCIKQL-CQSZACIVSA-N 1 0 367.482 3.155 40 0 FGABRO c1ccc(CCN2CCO[C@@H](c3cccc(Nc4ncccn4)n3)C2)cc1 ZINC000257303332 497400550 /nfs/dbraw/zinc/40/05/50/497400550.db2.gz SGUAMCSAKRJCFM-LJQANCHMSA-N 1 0 361.449 3.231 40 0 FGABRO c1ccc(CCN2CCO[C@H](c3cccc(Nc4ncccn4)n3)C2)cc1 ZINC000257303331 497400765 /nfs/dbraw/zinc/40/07/65/497400765.db2.gz SGUAMCSAKRJCFM-IBGZPJMESA-N 1 0 361.449 3.231 40 0 FGABRO C[NH+](C)Cc1ccc([C@H]2CCCN2C(=O)c2cc(C(C)(C)C)n[nH]2)nc1 ZINC000257303895 497401114 /nfs/dbraw/zinc/40/11/14/497401114.db2.gz SJEHQTZLTBMJBS-QGZVFWFLSA-N 1 0 355.486 3.141 40 0 FGABRO CC(=O)Nc1nc(C)c(-c2cnc([C@H]3CCC[N@@H+](C(C)C)C3)cn2)s1 ZINC000257320163 497402430 /nfs/dbraw/zinc/40/24/30/497402430.db2.gz VVPJLWOEMAISSZ-AWEZNQCLSA-N 1 0 359.499 3.455 40 0 FGABRO CN1Cc2nnc(-c3ccco3)n2C2(CC[NH+](Cc3cccs3)CC2)C1 ZINC000306133366 498740618 /nfs/dbraw/zinc/74/06/18/498740618.db2.gz MJQNKJAZUAQPRM-UHFFFAOYSA-N 1 0 369.494 3.036 40 0 FGABRO Cc1ccc(CN2CCO[C@@]3(CCCC[C@H]3[NH2+]Cc3cccnc3)C2)o1 ZINC000306140308 498740922 /nfs/dbraw/zinc/74/09/22/498740922.db2.gz UPLGBIPQGMCRFW-RTWAWAEBSA-N 1 0 355.482 3.286 40 0 FGABRO COc1ccc([C@@H]2COC3(CCN(C(=O)OC(C)(C)C)CC3)C[NH2+]2)cc1 ZINC000306145452 498742105 /nfs/dbraw/zinc/74/21/05/498742105.db2.gz FRORXIFIMBLZJY-KRWDZBQOSA-N 1 0 362.470 3.126 40 0 FGABRO Cc1noc(C)c1CN1C[C@@]2(CCC[N@@H+]([C@@H](C)c3ccccc3)C2)C1=O ZINC000585099409 507566103 /nfs/dbraw/zinc/56/61/03/507566103.db2.gz ILEJYFKDIYPCKY-KKSFZXQISA-N 1 0 353.466 3.477 40 0 FGABRO C[NH+](C)CC[C@@H]1Cn2cccc2CN(C(=O)c2cc3ccccc3o2)C1 ZINC000585095304 507566957 /nfs/dbraw/zinc/56/69/57/507566957.db2.gz OMSYOHJPONGJOT-MRXNPFEDSA-N 1 0 351.450 3.458 40 0 FGABRO COC[C@H]1C[N@H+](Cc2cccs2)CC12CCN(C(=O)C(C)C)CC2 ZINC000585102719 507568575 /nfs/dbraw/zinc/56/85/75/507568575.db2.gz BQDLBOXOYTUKFA-MRXNPFEDSA-N 1 0 350.528 3.091 40 0 FGABRO CC(=O)N1CCC[C@H]([NH2+]CCc2ccccn2)[C@@H]1Cc1cccc(C)c1 ZINC000585286507 507586111 /nfs/dbraw/zinc/58/61/11/507586111.db2.gz SRPXELICNZEYLJ-VXKWHMMOSA-N 1 0 351.494 3.144 40 0 FGABRO O=S(=O)(NCCC[NH+]1CCCC1)c1ccc(Oc2ccccc2)cc1 ZINC000020481065 527215090 /nfs/dbraw/zinc/21/50/90/527215090.db2.gz IUSWLUVOABWTID-UHFFFAOYSA-N 1 0 360.479 3.243 40 0 FGABRO O=C(Nc1ccc2c(c1)OCO2)N1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000085471089 527289454 /nfs/dbraw/zinc/28/94/54/527289454.db2.gz ANTDGYGSQIJYEN-HDICACEKSA-N 1 0 365.433 3.296 40 0 FGABRO Brc1cccc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)c1 ZINC000228923230 571278309 /nfs/dbraw/zinc/27/83/09/571278309.db2.gz MCEIHLHBHXWDTA-UHFFFAOYSA-N 1 0 373.258 3.257 40 0 FGABRO C[C@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)[C@@H]1CCCC[N@@H+]1C ZINC000005065140 204189127 /nfs/dbraw/zinc/18/91/27/204189127.db2.gz AYEXHPIWIMINEM-PXNSSMCTSA-N 1 0 353.462 3.339 40 0 FGABRO COc1ccc(C[NH2+][C@H]2C[C@@H](Cc3cc(CN(C)C)on3)C2(C)C)cc1 ZINC000067889793 204313033 /nfs/dbraw/zinc/31/30/33/204313033.db2.gz BPEHSYGQYJKROV-UZLBHIALSA-N 1 0 357.498 3.492 40 0 biogenic,in-vitro FGABRO CC(C)[C@@H](CNC(=O)C1(c2ccc(Cl)cc2)CCOCC1)[NH+](C)C ZINC000019661185 204698129 /nfs/dbraw/zinc/69/81/29/204698129.db2.gz OBURAMOJLWXVDP-QGZVFWFLSA-N 1 0 352.906 3.091 40 0 FGABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=S)Nc2ccc3c(c2)OCCO3)C1 ZINC000044140395 205107039 /nfs/dbraw/zinc/10/70/39/205107039.db2.gz GVBQFWFIFTYLCY-HUUCEWRRSA-N 1 0 363.527 3.112 40 0 FGABRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1COc2ccccc2O1 ZINC000044873961 205113347 /nfs/dbraw/zinc/11/33/47/205113347.db2.gz NCLUQSBOSRZRLJ-NRFANRHFSA-N 1 0 366.461 3.129 40 0 FGABRO Cc1ccsc1C[NH+]1CCC2(CCOC[C@@H]2NC(=O)C(C)C)CC1 ZINC000096209661 205853008 /nfs/dbraw/zinc/85/30/08/205853008.db2.gz KUNSUIGPZOHQGW-KRWDZBQOSA-N 1 0 350.528 3.200 40 0 FGABRO Cc1cc(F)ccc1S(=O)(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000105670530 206007771 /nfs/dbraw/zinc/00/77/71/206007771.db2.gz KOCKVBFHDCQBQN-UHFFFAOYSA-N 1 0 362.470 3.208 40 0 FGABRO C[NH+](C)CCCNC(=S)Nc1ccc(Br)c(Cl)c1 ZINC000107360395 206019535 /nfs/dbraw/zinc/01/95/35/206019535.db2.gz QWZXDHIWFHJPGN-UHFFFAOYSA-N 1 0 350.713 3.341 40 0 FGABRO Fc1ccc(OCc2nnc([C@H]3CC[N@H+](Cc4ccncc4)C3)o2)cc1 ZINC000049170408 206085814 /nfs/dbraw/zinc/08/58/14/206085814.db2.gz KBZDPZQEZFXWEI-HNNXBMFYSA-N 1 0 354.385 3.172 40 0 biogenic,in-vitro FGABRO NC(=O)c1cccc2[nH]c([C@H]3CC[N@H+](Cc4cccc(Cl)c4)C3)nc21 ZINC000049171107 206087048 /nfs/dbraw/zinc/08/70/48/206087048.db2.gz JKJAMZXPTXROAK-ZDUSSCGKSA-N 1 0 354.841 3.305 40 0 biogenic,in-vitro FGABRO CC(C)NC(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CC2CCCCC2)on1 ZINC000008623544 206215990 /nfs/dbraw/zinc/21/59/90/206215990.db2.gz YBXBFYKBDIQLPO-ROUUACIJSA-N 1 0 361.530 3.480 40 0 biogenic,in-vitro FGABRO COCCCNC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccs1 ZINC000008577848 206217606 /nfs/dbraw/zinc/21/76/06/206217606.db2.gz WMNKEZCPEGKKRS-MQVJKMGUSA-N 1 0 367.584 3.134 40 0 FGABRO Cn1cccc1[C@@H](CNC(=O)C12CC3CC(CC(C3)C1)C2)[NH+]1CCCC1 ZINC000011845570 206286400 /nfs/dbraw/zinc/28/64/00/206286400.db2.gz GXHUNFXFAWDRSI-MYZSEDEFSA-N 1 0 355.526 3.495 40 0 FGABRO O=c1[nH]c2cc3c(cc2cc1C[NH2+]Cc1ccccc1Cl)OCCO3 ZINC000013999901 206307233 /nfs/dbraw/zinc/30/72/33/206307233.db2.gz WRWWYKCODLFGTH-UHFFFAOYSA-N 1 0 356.809 3.243 40 0 FGABRO O[C@@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)[N@H+](CC2CC2)C1 ZINC000015674284 206315911 /nfs/dbraw/zinc/31/59/11/206315911.db2.gz LRTMCQXUZLCQIX-OCCSQVGLSA-N 1 0 369.343 3.153 40 0 biogenic,in-vitro FGABRO C[NH+](C)CC[C@@H]1CN(C(=O)c2cc3ccccc3s2)Cc2ccnn21 ZINC000248110142 206567973 /nfs/dbraw/zinc/56/79/73/206567973.db2.gz KAXUABRWZPNRCI-MRXNPFEDSA-N 1 0 354.479 3.247 40 0 FGABRO O=C1CC2(CC[NH+](C[C@H]3CCOC3)CC2)c2ccccc2N1CC1CC1 ZINC000096080238 132218630 /nfs/dbraw/zinc/21/86/30/132218630.db2.gz GUXAIPFJKJSBPM-GOSISDBHSA-N 1 0 354.494 3.203 40 0 FGABRO COC(=O)c1ccc2c(c1)CCN(c1cc(NC3CCCC3)[nH+]c(C)n1)C2 ZINC000329017464 132372458 /nfs/dbraw/zinc/37/24/58/132372458.db2.gz NMNLJRXQLPOHGX-UHFFFAOYSA-N 1 0 366.465 3.489 40 0 FGABRO CCc1cc(N2CCc3cc(OC)ccc3C2)nc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000329013937 132372616 /nfs/dbraw/zinc/37/26/16/132372616.db2.gz MRXFSRXMSYXFOY-IBGZPJMESA-N 1 0 370.497 3.039 40 0 FGABRO C[NH+]1CCN(c2ccc([C@@H]3CCCCN3C(=O)c3ccccc3)cn2)CC1 ZINC000072216558 494145173 /nfs/dbraw/zinc/14/51/73/494145173.db2.gz DJNYUQFPCFKAJN-FQEVSTJZSA-N 1 0 364.493 3.201 40 0 FGABRO Cc1cc2nc([C@H]3CCC[N@H+](Cc4ccc(F)cc4F)C3)cc(N)n2n1 ZINC000072339781 494153554 /nfs/dbraw/zinc/15/35/54/494153554.db2.gz KCCGUMXYTHYXNQ-AWEZNQCLSA-N 1 0 357.408 3.278 40 0 FGABRO NC(=O)c1cccc(-c2nccnc2[C@@H]2CCC[N@H+](Cc3ccccn3)C2)c1 ZINC000072358622 494157556 /nfs/dbraw/zinc/15/75/56/494157556.db2.gz IURAIEUDTBBQFQ-GOSISDBHSA-N 1 0 373.460 3.017 40 0 FGABRO O[C@H](C[NH2+]C1CCCCC1)COCCOC12CC3CC(CC(C3)C1)C2 ZINC000041689946 494173430 /nfs/dbraw/zinc/17/34/30/494173430.db2.gz GXBFSMXOLJEKMK-UQTNFYOXSA-N 1 0 351.531 3.272 40 0 FGABRO C[C@@H](C(=O)N1CCC(c2nc3ccccc3cc2N)CC1)[NH+]1CCCC1 ZINC000012087815 494202937 /nfs/dbraw/zinc/20/29/37/494202937.db2.gz QJUQFUIRMHQWBC-HNNXBMFYSA-N 1 0 352.482 3.007 40 0 FGABRO CC[N@@H+]1CCC[C@H]1Cn1cnc2c(-c3ccc(OC)cc3)nsc2c1=O ZINC000012185482 494211400 /nfs/dbraw/zinc/21/14/00/494211400.db2.gz BLWFFDDQAGOAAH-AWEZNQCLSA-N 1 0 370.478 3.013 40 0 FGABRO CC(=O)NC1(c2ccccc2F)CC[NH+](C[C@@H](O)c2ccc(C)cc2)CC1 ZINC000012188307 494211465 /nfs/dbraw/zinc/21/14/65/494211465.db2.gz YKLUFHYNJYZTED-OAQYLSRUSA-N 1 0 370.468 3.295 40 0 FGABRO CC(=O)NC1(c2ccccc2F)CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC000012188388 494212530 /nfs/dbraw/zinc/21/25/30/494212530.db2.gz MYDPVRSWJLBRSM-FQEVSTJZSA-N 1 0 374.431 3.126 40 0 FGABRO COc1ccccc1[C@]1(O)CCC[N@H+](C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000012292441 494219077 /nfs/dbraw/zinc/21/90/77/494219077.db2.gz HKKVYNZWJTVDEZ-QUCCMNQESA-N 1 0 361.869 3.366 40 0 FGABRO O[C@H](C[NH+]1CCC(O)(c2ccc(F)cc2)CC1)c1ccc2c(c1)CCC2 ZINC000012292555 494220578 /nfs/dbraw/zinc/22/05/78/494220578.db2.gz YWELHXQJIYSYMK-OAQYLSRUSA-N 1 0 355.453 3.331 40 0 FGABRO CC[C@@H](C[NH+]1CCCCC1)NC(=O)Cc1csc(-c2ccccn2)n1 ZINC000012362964 494226913 /nfs/dbraw/zinc/22/69/13/494226913.db2.gz MUUZDPSBNIHMTO-HNNXBMFYSA-N 1 0 358.511 3.128 40 0 FGABRO CC(=O)N1Cc2ccccc2O[C@@H](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000019019689 494434516 /nfs/dbraw/zinc/43/45/16/494434516.db2.gz DTHJYXHJNJTSNB-JOCHJYFZSA-N 1 0 365.477 3.103 40 0 FGABRO CC(=O)N1Cc2ccccc2O[C@H]([C@@H]2CCC[N@H+](Cc3ccccn3)C2)C1 ZINC000019019663 494434987 /nfs/dbraw/zinc/43/49/87/494434987.db2.gz DAYGVGPYVOLATK-GCJKJVERSA-N 1 0 365.477 3.103 40 0 FGABRO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000019081802 494435950 /nfs/dbraw/zinc/43/59/50/494435950.db2.gz ACSOWUPGCPNIGC-LNLFQRSKSA-N 1 0 359.514 3.034 40 0 FGABRO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C2)c(OC)c1 ZINC000019237724 494439378 /nfs/dbraw/zinc/43/93/78/494439378.db2.gz QAHDBQRINJZTIA-NBCNXNJRSA-N 1 0 368.477 3.137 40 0 FGABRO C[C@@H]1Cc2cc(CC(=O)N3CCCC[C@@H]3CC[NH+]3CCCC3)ccc2O1 ZINC000019498089 494445668 /nfs/dbraw/zinc/44/56/68/494445668.db2.gz KGHYFKKYFSULCJ-YLJYHZDGSA-N 1 0 356.510 3.420 40 0 FGABRO CCOc1ccc(CN2CCc3nc([C@@H]4CCCC[NH2+]4)ncc3C2)cc1 ZINC000019533352 494447144 /nfs/dbraw/zinc/44/71/44/494447144.db2.gz XDADTZCVQIUNKT-FQEVSTJZSA-N 1 0 352.482 3.248 40 0 FGABRO CCOc1cc(C[N@@H+]2CCC[C@H](c3nc(CC)cc(=O)[nH]3)C2)ccc1OC ZINC000019522505 494447218 /nfs/dbraw/zinc/44/72/18/494447218.db2.gz DAPXGPFIEBHXTK-INIZCTEOSA-N 1 0 371.481 3.119 40 0 FGABRO CN(C)c1ccc(CC[NH2+]Cc2cc(-c3ccccc3)cn3nnnc23)cc1 ZINC000019584957 494451675 /nfs/dbraw/zinc/45/16/75/494451675.db2.gz SQTSCRQSUYPKBD-UHFFFAOYSA-N 1 0 372.476 3.190 40 0 FGABRO Cc1nccn1C[C@@H]1CCC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000019656788 494453936 /nfs/dbraw/zinc/45/39/36/494453936.db2.gz ZIPFSOSEGZLZHA-QGZVFWFLSA-N 1 0 353.445 3.429 40 0 FGABRO CC(C)C[N@@H+]1CC[C@H](c2c3cccnc3sc2C(=O)N2CCOCC2)C1 ZINC000019703963 494454657 /nfs/dbraw/zinc/45/46/57/494454657.db2.gz LHPOLEOTKIGBMU-HNNXBMFYSA-N 1 0 373.522 3.214 40 0 FGABRO COc1ccccc1CNC(=O)c1cc([C@@H]2CC[N@H+](CC(C)(C)C)C2)n[nH]1 ZINC000019707801 494456521 /nfs/dbraw/zinc/45/65/21/494456521.db2.gz AOFFCUBIRZHNAE-MRXNPFEDSA-N 1 0 370.497 3.184 40 0 FGABRO CN1C(=O)NC2(CC[NH+](Cc3cccc(-c4cccc(F)c4)c3)CC2)C1=O ZINC000019715700 494457099 /nfs/dbraw/zinc/45/70/99/494457099.db2.gz ZMSCEFGTYIGZNH-UHFFFAOYSA-N 1 0 367.424 3.009 40 0 FGABRO Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NC[C@@H](C(C)C)[NH+](C)C)c2)n1 ZINC000019718351 494457512 /nfs/dbraw/zinc/45/75/12/494457512.db2.gz SFUFDTLCEQBTDC-SFHVURJKSA-N 1 0 362.905 3.459 40 0 FGABRO [NH3+][C@H](Cc1ccccc1)c1nc(-c2cc(Br)ccc2O)n[nH]1 ZINC000095534883 494989941 /nfs/dbraw/zinc/98/99/41/494989941.db2.gz UDSPKQKIKALGMR-CYBMUJFWSA-N 1 0 359.227 3.182 40 0 FGABRO Fc1cccnc1OC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccccn1)C2 ZINC000096040471 494998699 /nfs/dbraw/zinc/99/86/99/494998699.db2.gz CEEHZBBGFWBMMO-AZUAARDMSA-N 1 0 357.429 3.066 40 0 FGABRO Cc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(Cc4csc(C)n4)C3)C2)s1 ZINC000096050909 494999389 /nfs/dbraw/zinc/99/93/89/494999389.db2.gz VPKFMDQXBCPYJZ-GOSISDBHSA-N 1 0 361.536 3.446 40 0 FGABRO Cc1ccc(C[N@@H+]2CCC[C@]3(C[C@H](Nc4ncc(F)cn4)CO3)C2)s1 ZINC000096048506 494999402 /nfs/dbraw/zinc/99/94/02/494999402.db2.gz JLEQOBORKYDHJM-YJBOKZPZSA-N 1 0 362.474 3.221 40 0 FGABRO COc1ccc(C[N@@H+]2CC[C@]3(CC[C@@H](C(=O)N4CCCC4)O3)[C@@H](C)C2)cc1 ZINC000096061319 494999453 /nfs/dbraw/zinc/99/94/53/494999453.db2.gz CTAAXVOODBLYKY-RBDMOPTHSA-N 1 0 372.509 3.077 40 0 FGABRO CNC(=O)C[C@H]1CC2(CC[NH+](CC3CCOCC3)CC2)c2ccccc21 ZINC000096052596 494999598 /nfs/dbraw/zinc/99/95/98/494999598.db2.gz WPNIBSALNKNXFA-SFHVURJKSA-N 1 0 356.510 3.070 40 0 FGABRO FC1(F)CC[N@H+](Cc2ccsc2)C[C@@]12CCN(c1cnccn1)C2 ZINC000096051177 495000001 /nfs/dbraw/zinc/00/00/01/495000001.db2.gz PZSSBDZPZOESJT-MRXNPFEDSA-N 1 0 350.438 3.276 40 0 FGABRO c1cc(C[NH+]2CCC(c3nc4ccc(N5CCCC5)cn4n3)CC2)ccn1 ZINC000096062766 495000928 /nfs/dbraw/zinc/00/09/28/495000928.db2.gz NPZIOQGUAYZBRJ-UHFFFAOYSA-N 1 0 362.481 3.104 40 0 FGABRO Cc1nc(COC[C@@]23CCC[C@@H]2C[N@H+](CC2CCOCC2)C3)cs1 ZINC000096109283 495002287 /nfs/dbraw/zinc/00/22/87/495002287.db2.gz DOWVNDNSCDGRED-MJGOQNOKSA-N 1 0 350.528 3.497 40 0 FGABRO Cc1cccc(C(=O)N2CCC3(CC[C@@H](COCC4CC4)[N@H+]3C)CC2)c1 ZINC000096209129 495006700 /nfs/dbraw/zinc/00/67/00/495006700.db2.gz JLRAENZGORLHCP-FQEVSTJZSA-N 1 0 356.510 3.491 40 0 FGABRO Cc1nc(CO[C@H]2CO[C@]3(C2)CCC[N@H+](Cc2cccnc2)C3)cs1 ZINC000096206184 495006820 /nfs/dbraw/zinc/00/68/20/495006820.db2.gz SEJXVRKLRUQYAN-MOPGFXCFSA-N 1 0 359.495 3.187 40 0 FGABRO Cc1nc(CN2C(=O)CCC23CC[NH+](Cc2ccccn2)CC3)cs1 ZINC000096228186 495007334 /nfs/dbraw/zinc/00/73/34/495007334.db2.gz RBKSWYUCOVQJNE-UHFFFAOYSA-N 1 0 356.495 3.004 40 0 FGABRO Cc1ccc(C[N@H+]2CC[C@@]3(C[C@H](N(C)Cc4ccccn4)CO3)C2)s1 ZINC000096219865 495007887 /nfs/dbraw/zinc/00/78/87/495007887.db2.gz VPRXMYIKZUOSJM-AZUAARDMSA-N 1 0 357.523 3.317 40 0 FGABRO Cn1cccc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCOc1ccccc1)C2 ZINC000096216323 495008071 /nfs/dbraw/zinc/00/80/71/495008071.db2.gz XBDMPGJSMXGGBP-QFIPXVFZSA-N 1 0 367.493 3.032 40 0 FGABRO COc1ncccc1C[NH+]1CCC2(CC1)OCC[C@@H]2CCOCC1CC1 ZINC000247846855 496920072 /nfs/dbraw/zinc/92/00/72/496920072.db2.gz MZPDMDGXBOCPIP-IBGZPJMESA-N 1 0 360.498 3.278 40 0 FGABRO COC[C@H]1C[N@H+](CC(C)C)CC12CCN(C(=O)c1cccc(OC)c1)CC2 ZINC000248225742 496973987 /nfs/dbraw/zinc/97/39/87/496973987.db2.gz JEAMHHDUHLEFIX-LJQANCHMSA-N 1 0 374.525 3.152 40 0 FGABRO COc1ccc(NC(=S)NCCC[NH+]2CCCCCC2)c(OC)c1 ZINC000225399115 497060308 /nfs/dbraw/zinc/06/03/08/497060308.db2.gz QSHLQBGFAAMZRI-UHFFFAOYSA-N 1 0 351.516 3.256 40 0 FGABRO CCCOc1ccc(N2C(=O)C[C@H]([NH+]3C[C@@H]4CCCC[C@H]4C3)C2=O)cc1 ZINC000252444023 497299853 /nfs/dbraw/zinc/29/98/53/497299853.db2.gz SGNKJFGZXJBOKV-BXWFABGCSA-N 1 0 356.466 3.229 40 0 FGABRO COc1cccc(C(=O)N[C@@H](c2ccccn2)[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000257217849 497392016 /nfs/dbraw/zinc/39/20/16/497392016.db2.gz DAWFYTSCWRHPQS-JXXFODFXSA-N 1 0 353.466 3.326 40 0 FGABRO Cc1cccc(C(=O)N2CC[N@@H+](C)C[C@H](Cc3cnc4ccccc4c3)C2)n1 ZINC000257239956 497393153 /nfs/dbraw/zinc/39/31/53/497393153.db2.gz HROMWUQDXKHXCD-IBGZPJMESA-N 1 0 374.488 3.185 40 0 FGABRO C[NH+](C)Cc1cc([C@H]2CCCN2C(=O)c2cc(C(C)(C)C)n[nH]2)ccn1 ZINC000257233743 497393628 /nfs/dbraw/zinc/39/36/28/497393628.db2.gz GQNUJUDVCXMTAR-QGZVFWFLSA-N 1 0 355.486 3.141 40 0 FGABRO Cc1n[nH]cc1C[N@@H+]1CCC[C@H](Cc2cc(Nc3nccs3)ncn2)C1 ZINC000257267848 497397874 /nfs/dbraw/zinc/39/78/74/497397874.db2.gz MIZYZDLBHKUSCW-CQSZACIVSA-N 1 0 369.498 3.163 40 0 FGABRO Cc1noc(C)c1-c1cc(C[C@@H]2CCC[N@H+](Cc3cnc[nH]3)CC2)ncn1 ZINC000257277675 497397916 /nfs/dbraw/zinc/39/79/16/497397916.db2.gz NYYBKTCPRBJZCA-MRXNPFEDSA-N 1 0 366.469 3.316 40 0 FGABRO Cc1cc(Nc2ncccn2)nc([C@@H]2CCCC[N@@H+]2CC2CCOCC2)n1 ZINC000257287837 497398989 /nfs/dbraw/zinc/39/89/89/497398989.db2.gz PRRWOQHFBKWNCW-KRWDZBQOSA-N 1 0 368.485 3.272 40 0 FGABRO C[N@@H+]1CCCCC[C@@H]2N(C(=O)c3c[nH]c(=O)[nH]3)[C@H](c3ccccc3)C[C@@]21C ZINC000257290453 497399669 /nfs/dbraw/zinc/39/96/69/497399669.db2.gz QCZZOBRGXJXQIG-WFXMLNOXSA-N 1 0 368.481 3.336 40 0 FGABRO [NH3+]C[C@H]1CC[C@H]([C@@H](NC(=O)COc2ccccc2F)c2ccccn2)CC1 ZINC000257289896 497399751 /nfs/dbraw/zinc/39/97/51/497399751.db2.gz QAQWNZPSOIPIAF-WHSLLNHNSA-N 1 0 371.456 3.222 40 0 FGABRO O=C(C[NH+]1CCCC1)N1CCC[C@H]1c1ncc(Cc2ccccc2F)o1 ZINC000257312906 497402762 /nfs/dbraw/zinc/40/27/62/497402762.db2.gz UQDOLLQBUURTEU-SFHVURJKSA-N 1 0 357.429 3.164 40 0 FGABRO Cc1cccc(C[NH+]2CCC(c3nccnc3Nc3cnccn3)CC2)n1 ZINC000257342182 497404901 /nfs/dbraw/zinc/40/49/01/497404901.db2.gz ZNLORVYMEURXSF-UHFFFAOYSA-N 1 0 361.453 3.093 40 0 FGABRO O=S1(=O)c2ccc(-c3ccco3)cc2[C@@H]2CN(Cc3ccccn3)C[C@@H]21 ZINC000306125406 498736229 /nfs/dbraw/zinc/73/62/29/498736229.db2.gz CPJQCXSRBTXWSX-PXNSSMCTSA-N 1 0 366.442 3.097 40 0 FGABRO c1ccc(C[N@H+]2CC[C@]3(CN(Cc4cccnc4)c4cccnc43)C2)nc1 ZINC000306130759 498738289 /nfs/dbraw/zinc/73/82/89/498738289.db2.gz JORARVCHTMBVGO-JOCHJYFZSA-N 1 0 357.461 3.036 40 0 FGABRO Cc1nc2c(n1C(C)C)CN(Cc1cccc(C)n1)CC21CC[NH+](C)CC1 ZINC000306137556 498740248 /nfs/dbraw/zinc/74/02/48/498740248.db2.gz QZUAJWJQLGZLJP-UHFFFAOYSA-N 1 0 367.541 3.455 40 0 FGABRO C[N@@H+]1CC[C@H](COCc2ccccn2)CC12CN(C(=O)C1=CCCCC1)C2 ZINC000306134809 498741022 /nfs/dbraw/zinc/74/10/22/498741022.db2.gz NYPGYONLENBYMS-SFHVURJKSA-N 1 0 369.509 3.021 40 0 FGABRO CCOC[C@@H]1CC[N@H+](CC2CC2)C2(CN(C(=O)c3sccc3C)C2)C1 ZINC000306144337 498743524 /nfs/dbraw/zinc/74/35/24/498743524.db2.gz ZCVRCNVHOLGTMK-QGZVFWFLSA-N 1 0 362.539 3.410 40 0 FGABRO Cc1ccc(Nc2cc(-c3ccccn3)nc(NCCC[NH+](C)C)n2)cc1 ZINC000329046624 499024943 /nfs/dbraw/zinc/02/49/43/499024943.db2.gz UCLGBFCGPZXXER-UHFFFAOYSA-N 1 0 362.481 3.376 40 0 FGABRO COc1cc([C@@H]2C=C(c3ccc(Cl)cc3)[NH+]=C3N=CNN32)ccc1O ZINC000408917700 499595321 /nfs/dbraw/zinc/59/53/21/499595321.db2.gz AEQSTQOUEJHTFC-HNNXBMFYSA-N 1 0 354.797 3.355 40 0 FGABRO O=C1C[C@@]2(CN1Cc1ccccc1)COCC[N@@H+](Cc1cccc(F)c1)C2 ZINC000585104688 507570547 /nfs/dbraw/zinc/57/05/47/507570547.db2.gz RCVRNTWPXDVZIU-JOCHJYFZSA-N 1 0 368.452 3.077 40 0 FGABRO c1ccc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOCc2cccnc2)nc1 ZINC000585105086 507570899 /nfs/dbraw/zinc/57/08/99/507570899.db2.gz PEVRZVXOTGZHNQ-FQEVSTJZSA-N 1 0 367.493 3.455 40 0 FGABRO CC(C)C[N@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)CC3CCOCC3)[C@H]2C1 ZINC000585109797 507573754 /nfs/dbraw/zinc/57/37/54/507573754.db2.gz VHICVIKDCMKQKK-JAXLGGSGSA-N 1 0 356.510 3.346 40 0 FGABRO C[C@H](c1ccccc1F)n1cc(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)nn1 ZINC000227139406 526118870 /nfs/dbraw/zinc/11/88/70/526118870.db2.gz WVUUNZKCQDVQMJ-OWCLPIDISA-N 1 0 373.476 3.019 40 0 FGABRO CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000685938950 568434591 /nfs/dbraw/zinc/43/45/91/568434591.db2.gz HQMWMOHLMWYEOC-MISYRCLQSA-N 1 0 359.514 3.240 40 0 FGABRO Brc1ccc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)cc1 ZINC000228935314 571278227 /nfs/dbraw/zinc/27/82/27/571278227.db2.gz CIKDVQVBJLZFCL-UHFFFAOYSA-N 1 0 373.258 3.257 40 0 FGABRO O=C(CCCn1cccn1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000524731466 571281591 /nfs/dbraw/zinc/28/15/91/571281591.db2.gz ZDZWVVSDEOVFDO-GPQLQYNLSA-N 1 0 368.525 3.085 40 0 FGABRO COc1cc([C@@](O)(c2ccccc2)[C@H]2CCCC[NH2+]2)cc(OC)c1OC ZINC000001604296 204014264 /nfs/dbraw/zinc/01/42/64/204014264.db2.gz WJNADZRAMWNFKF-CTNGQTDRSA-N 1 0 357.450 3.090 40 0 FGABRO CC[C@H]1C[C@H]2C[N@@H+]3CCc4c5cc(OC)ccc5[nH]c4[C@](C(=O)OC)(C2)[C@H]13 ZINC000002555121 204043854 /nfs/dbraw/zinc/04/38/54/204043854.db2.gz MMAYTCMMKJYIAM-PHKAQXKASA-N 1 0 368.477 3.264 40 0 biogenic,in-vitro FGABRO C[C@@H]1CC(C)(C)[N@@H+]2CC[C@H](C(=O)N3Cc4cc5ccccc5nc4C3)[C@@H]2O1 ZINC000005160916 204195940 /nfs/dbraw/zinc/19/59/40/204195940.db2.gz NPMYSDYHYASACI-ZVGUJKQYSA-N 1 0 365.477 3.312 40 0 FGABRO COc1ccc(CN2Cc3cc(C)ccc3OC[C@@H]2C[NH+](C)C)cc1OC ZINC000019219368 204670657 /nfs/dbraw/zinc/67/06/57/204670657.db2.gz NWJVWYQYNGWAJP-IBGZPJMESA-N 1 0 370.493 3.337 40 0 FGABRO C[C@H](Cn1cc(Cl)cn1)C(=O)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000019457340 204683112 /nfs/dbraw/zinc/68/31/12/204683112.db2.gz YTWXHFUONUQYLR-WBVHZDCISA-N 1 0 352.910 3.040 40 0 FGABRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1COc2ccccc2O1 ZINC000044873956 205113688 /nfs/dbraw/zinc/11/36/88/205113688.db2.gz NCLUQSBOSRZRLJ-OAQYLSRUSA-N 1 0 366.461 3.129 40 0 FGABRO COc1ccc(OC[C@@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000044908686 205115211 /nfs/dbraw/zinc/11/52/11/205115211.db2.gz WHLKRSGBYPZJPA-QGZVFWFLSA-N 1 0 368.477 3.488 40 0 FGABRO CCN(CC)C(=O)C[NH+]1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000072341610 205513779 /nfs/dbraw/zinc/51/37/79/205513779.db2.gz WQFAQMXXLLQVGG-UHFFFAOYSA-N 1 0 352.482 3.062 40 0 FGABRO COc1ccc(-c2cnc3n2CCNC32CC[NH+](C3CCCC3)CC2)cc1 ZINC000096263383 205868839 /nfs/dbraw/zinc/86/88/39/205868839.db2.gz VVGFDQIRVWKMAI-UHFFFAOYSA-N 1 0 366.509 3.396 40 0 FGABRO c1cncc(COC[C@@]23CCCO[C@H]2CC[N@H+](Cc2cccnc2)C3)c1 ZINC000107712292 206020667 /nfs/dbraw/zinc/02/06/67/206020667.db2.gz OXJBSEONSREVAP-SFTDATJTSA-N 1 0 353.466 3.065 40 0 FGABRO Cc1cccnc1C[N@@H+]1CCC[C@@]2(CCN(CC3CCOCC3)C2=O)CC1 ZINC000108532465 206034284 /nfs/dbraw/zinc/03/42/84/206034284.db2.gz IBGXLTRSYHPCSZ-QFIPXVFZSA-N 1 0 371.525 3.021 40 0 FGABRO Cc1c(C(=O)N2CCCC[C@H]2C)c(C(F)(F)F)nn1C1CC[NH+](C)CC1 ZINC000049362636 206086925 /nfs/dbraw/zinc/08/69/25/206086925.db2.gz ZNGJKMYQLJPENF-GFCCVEGCSA-N 1 0 372.435 3.492 40 0 FGABRO Nc1cc(N)[nH+]c(SCC(=O)Nc2ccccc2-c2ccccc2)n1 ZINC000003605661 206163690 /nfs/dbraw/zinc/16/36/90/206163690.db2.gz GKVXBEJQCTWQRN-UHFFFAOYSA-N 1 0 351.435 3.039 40 0 FGABRO CC(C)n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCC[NH+](C)C ZINC000223234551 206434532 /nfs/dbraw/zinc/43/45/32/206434532.db2.gz IZZIBUNKRBGPFU-RBUKOAKNSA-N 1 0 371.554 3.388 40 0 FGABRO Cc1cc(C)c(C)c(OCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000111892874 132246781 /nfs/dbraw/zinc/24/67/81/132246781.db2.gz DFGKFODWPQQXAV-UHFFFAOYSA-N 1 0 367.493 3.381 40 0 FGABRO CC(C)c1cc(N2Cc3ccccc3C(C)(C)C2)nc(NCC[NH+](C)C)n1 ZINC000329038632 132372845 /nfs/dbraw/zinc/37/28/45/132372845.db2.gz RTNUJMFHOORIKE-UHFFFAOYSA-N 1 0 367.541 3.293 40 0 FGABRO COc1ccc(F)cc1-c1cc(NC(=O)[C@@H]2CCC[NH2+]C2)ncc1Cl ZINC000083318933 494014389 /nfs/dbraw/zinc/01/43/89/494014389.db2.gz AHMKHNVZGOQLRQ-LLVKDONJSA-N 1 0 363.820 3.488 40 0 FGABRO COC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000039762970 494123839 /nfs/dbraw/zinc/12/38/39/494123839.db2.gz LVGPFTOZERYLNB-UHFFFAOYSA-N 1 0 370.424 3.463 40 0 FGABRO C[N@@H+]1CCCC[C@@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216477 494145196 /nfs/dbraw/zinc/14/51/96/494145196.db2.gz AZBZSPBQTQNUMC-QGZVFWFLSA-N 1 0 360.502 3.296 40 0 FGABRO O=c1cc([C@@H]2CCC[N@H+](Cc3cccs3)C2)nc(-c2ccncc2)[nH]1 ZINC000072392891 494162223 /nfs/dbraw/zinc/16/22/23/494162223.db2.gz OQQPEFKGQDFBAZ-OAHLLOKOSA-N 1 0 352.463 3.273 40 0 FGABRO O=c1cc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)nc(-c2ccccn2)[nH]1 ZINC000072393189 494163135 /nfs/dbraw/zinc/16/31/35/494163135.db2.gz TXCCNYYNVSLXHS-INIZCTEOSA-N 1 0 364.424 3.351 40 0 FGABRO CC(=O)N1Cc2ccccc2O[C@@H]([C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000012135393 494206905 /nfs/dbraw/zinc/20/69/05/494206905.db2.gz KOQHNMOEEYUCJR-DENIHFKCSA-N 1 0 365.477 3.103 40 0 FGABRO COc1cc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c2ccccc2n1 ZINC000012198379 494214087 /nfs/dbraw/zinc/21/40/87/494214087.db2.gz CVMMFWOKFMOOGC-IBGZPJMESA-N 1 0 367.424 3.415 40 0 FGABRO C[C@H]1CCCC[N@@H+]1CCCNCc1cc(-c2ccccc2)cn2nnnc12 ZINC000012224217 494215664 /nfs/dbraw/zinc/21/56/64/494215664.db2.gz QXXHCGQKVVZQAR-KRWDZBQOSA-N 1 0 364.497 3.145 40 0 FGABRO OC1(Cn2ccc3nc(Cl)ccc32)CC[NH+](Cc2cccnc2)CC1 ZINC000012337940 494225408 /nfs/dbraw/zinc/22/54/08/494225408.db2.gz VPKVFNONZXHLRM-UHFFFAOYSA-N 1 0 356.857 3.112 40 0 FGABRO OC1(c2ccccc2F)CC[NH+](Cc2ccccc2-n2cccn2)CC1 ZINC000012363545 494226456 /nfs/dbraw/zinc/22/64/56/494226456.db2.gz VERKUGDXGGZCEL-UHFFFAOYSA-N 1 0 351.425 3.495 40 0 FGABRO CSc1ncc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)cn1 ZINC000012345799 494226649 /nfs/dbraw/zinc/22/66/49/494226649.db2.gz ASBNRPJIUPQWQP-JJTKIYQPSA-N 1 0 359.470 3.352 40 0 FGABRO Cc1ccc([C@@H](C)CC[N@@H+]2C[C@H]3NC(=O)c4ccccc4C(=O)[C@@]3(C)C2)o1 ZINC000012366425 494227919 /nfs/dbraw/zinc/22/79/19/494227919.db2.gz KVNQJJKUNQIILX-BANJIEJESA-N 1 0 366.461 3.398 40 0 FGABRO COc1ccc(C[NH+]2CCC(c3nn(C)c4ncccc34)CC2)cc1OC ZINC000012670246 494249249 /nfs/dbraw/zinc/24/92/49/494249249.db2.gz MBXOEULFABBARR-UHFFFAOYSA-N 1 0 366.465 3.365 40 0 FGABRO COc1ccc(CSCC(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000013669138 494292572 /nfs/dbraw/zinc/29/25/72/494292572.db2.gz IDRMSKIMSBJFHS-UHFFFAOYSA-N 1 0 350.528 3.167 40 0 FGABRO Cc1nc2c(c(=O)[nH]1)C[C@@H]1CC[C@H](C2)[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000019286352 494439177 /nfs/dbraw/zinc/43/91/77/494439177.db2.gz SHKSJFUSVLTJGE-LSDHHAIUSA-N 1 0 363.383 3.229 40 0 FGABRO O=c1cc(-c2nccs2)nc(C2CC[NH+](Cc3cccs3)CC2)[nH]1 ZINC000019343416 494441991 /nfs/dbraw/zinc/44/19/91/494441991.db2.gz PBLIQSGJMHGEKM-UHFFFAOYSA-N 1 0 358.492 3.335 40 0 FGABRO O=c1cc(-c2ccccn2)nc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)[nH]1 ZINC000019402436 494445467 /nfs/dbraw/zinc/44/54/67/494445467.db2.gz RILXQDZZXMMNKM-INIZCTEOSA-N 1 0 364.424 3.351 40 0 FGABRO CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC[C@@](O)(c2ccc(F)cc2)CC1 ZINC000019500945 494446517 /nfs/dbraw/zinc/44/65/17/494446517.db2.gz ZLPHSYRSKUEUAT-CTNGQTDRSA-N 1 0 362.489 3.290 40 0 FGABRO CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)C[N@@H+](Cc3cccs3)C[C@@H]12 ZINC000019528290 494447901 /nfs/dbraw/zinc/44/79/01/494447901.db2.gz JKRGAWVZTXHSMC-XLIONFOSSA-N 1 0 354.475 3.297 40 0 FGABRO CC(C)C[N@@H+]1CC[C@@H](c2c3cccnc3sc2C(=O)N2CCOCC2)C1 ZINC000019703962 494455505 /nfs/dbraw/zinc/45/55/05/494455505.db2.gz LHPOLEOTKIGBMU-OAHLLOKOSA-N 1 0 373.522 3.214 40 0 FGABRO Cc1n[nH]cc1C(=O)N1[C@H](Cc2ccccc2)C[C@H]2[C@H]1CCCCC[N@H+]2C ZINC000019712917 494456472 /nfs/dbraw/zinc/45/64/72/494456472.db2.gz JAQPJMMZOGFAFB-NRSPTQNISA-N 1 0 366.509 3.418 40 0 FGABRO Brc1ccc2nc(-c3ccccc3)c(CN3CC[NH2+]CC3)n2c1 ZINC000022464906 494524715 /nfs/dbraw/zinc/52/47/15/494524715.db2.gz OAVOSMYUKYYFHT-UHFFFAOYSA-N 1 0 371.282 3.169 40 0 FGABRO Cc1ccc(C[NH+]2CCC3(C[C@H](CC(=O)NC(C)C)CO3)CC2)s1 ZINC000096048164 494998213 /nfs/dbraw/zinc/99/82/13/494998213.db2.gz KKOYQXPZGHKOGG-INIZCTEOSA-N 1 0 350.528 3.342 40 0 FGABRO Fc1cccnc1OC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccncc1)C2 ZINC000096040474 494998631 /nfs/dbraw/zinc/99/86/31/494998631.db2.gz ZBWJZMOHNWESKS-QUCCMNQESA-N 1 0 357.429 3.066 40 0 FGABRO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)Cc2cccnc2)C3)o1 ZINC000096047117 494998846 /nfs/dbraw/zinc/99/88/46/494998846.db2.gz JEWWMYVEJSAHGX-OAQYLSRUSA-N 1 0 353.466 3.040 40 0 FGABRO COCCN1c2ccccc2C2(CC[NH+](Cc3ccc(F)cc3)CC2)C1=O ZINC000096052512 494999512 /nfs/dbraw/zinc/99/95/12/494999512.db2.gz DQPXZHPIEWQFEN-UHFFFAOYSA-N 1 0 368.452 3.353 40 0 FGABRO Cc1ccc(C[NH2+]C[C@@H]2OCCc3cn(Cc4ccccn4)nc32)s1 ZINC000096059787 494999622 /nfs/dbraw/zinc/99/96/22/494999622.db2.gz RBFQYEBXTDJXBY-SFHVURJKSA-N 1 0 354.479 3.100 40 0 FGABRO C[C@H]1C[N@H+](Cc2ccc(F)cc2)CC[C@]12CC[C@@H](C(=O)NCC1CC1)O2 ZINC000096061291 494999669 /nfs/dbraw/zinc/99/96/69/494999669.db2.gz ASWYRJQGYYSZCZ-PAXLWEDBSA-N 1 0 360.473 3.112 40 0 FGABRO CNC(=O)C[C@H]1CC2(CC[NH+](Cc3cccnc3)CC2)Oc2ccccc21 ZINC000096053264 495000055 /nfs/dbraw/zinc/00/00/55/495000055.db2.gz CLXLNQNUXUEXSA-SFHVURJKSA-N 1 0 365.477 3.119 40 0 FGABRO Fc1cccc(C[N@@H+]2CCC[C@@]3(C[C@H](CNc4ncccn4)CO3)C2)c1 ZINC000096075792 495001177 /nfs/dbraw/zinc/00/11/77/495001177.db2.gz GTDIKBTVPGVICA-YLJYHZDGSA-N 1 0 356.445 3.099 40 0 FGABRO CC(C)[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3cnc4ccccc4c3)C2)C1 ZINC000096076226 495001199 /nfs/dbraw/zinc/00/11/99/495001199.db2.gz HZQCTQPVIPUIEW-QFIPXVFZSA-N 1 0 367.493 3.198 40 0 FGABRO Fc1ccccc1C[N@@H+]1CC[C@]2(C1)COCc1cnc(NCC3CC3)nc12 ZINC000096080345 495001241 /nfs/dbraw/zinc/00/12/41/495001241.db2.gz MWXNNFWRVRZDAQ-NRFANRHFSA-N 1 0 368.456 3.112 40 0 FGABRO CC(=O)Nc1ccc(C[NH2+]C[C@H]2COCc3nc4c(cccc4C)n32)cc1 ZINC000096112649 495001761 /nfs/dbraw/zinc/00/17/61/495001761.db2.gz GDMAXTHQPVPHML-SFHVURJKSA-N 1 0 364.449 3.164 40 0 biogenic,in-vitro FGABRO Cc1ccsc1C[N@@H+]1CC[C@]2(C[C@@H](OCC3CCOCC3)CO2)C1 ZINC000096107741 495002244 /nfs/dbraw/zinc/00/22/44/495002244.db2.gz LCGCHFZWZDFMFU-MJGOQNOKSA-N 1 0 351.512 3.233 40 0 FGABRO Cc1cccc(C[NH+]2CCC3(CO[C@H](COc4cccnc4)C3)CC2)n1 ZINC000096106091 495002343 /nfs/dbraw/zinc/00/23/43/495002343.db2.gz LUJMZLLGKJFYSP-FQEVSTJZSA-N 1 0 353.466 3.235 40 0 FGABRO c1cc(C[NH+]2CCC3(CCOC[C@H]3COc3cnccn3)CC2)cs1 ZINC000096209747 495006531 /nfs/dbraw/zinc/00/65/31/495006531.db2.gz HTBAKOCAHLFWOK-KRWDZBQOSA-N 1 0 359.495 3.236 40 0 FGABRO CN(C)C(=O)C[C@H]1OC[C@H]2C[N@H+](Cc3cccc4ccccc43)CC[C@@H]12 ZINC000096207327 495006859 /nfs/dbraw/zinc/00/68/59/495006859.db2.gz VCHQYUOVUPTPCY-HMXCVIKNSA-N 1 0 352.478 3.155 40 0 FGABRO COC[C@H]1CC2(C[N@@H+]1C(C)C)CCN(C(=O)c1cc(C)nc(C)c1)CC2 ZINC000096208359 495006994 /nfs/dbraw/zinc/00/69/94/495006994.db2.gz KTWLMWADWIRMSL-LJQANCHMSA-N 1 0 359.514 3.050 40 0 FGABRO COc1ccc(C[NH+]2CCC3(C[C@@H](Nc4ccccn4)CO3)CC2)cc1 ZINC000096221289 495007997 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COc1ccccc1Oc1nccnc1[C@H]1CCCN(Cc2cc[nH]n2)C1 ZINC000257306415 497400751 /nfs/dbraw/zinc/40/07/51/497400751.db2.gz SUEVCCOQFGYMQN-HNNXBMFYSA-N 1 0 365.437 3.380 40 0 FGABRO Cc1noc(C)c1-c1nc([C@H]2CCC[N@@H+](C3CCOCC3)C2)ccc1CO ZINC000257325228 497404200 /nfs/dbraw/zinc/40/42/00/497404200.db2.gz WRZXKMNWOGAGTF-INIZCTEOSA-N 1 0 371.481 3.204 40 0 FGABRO CC(C)[NH+]1CCC(Cc2cccc(N3CC4(CCOCC4)OC3=O)n2)CC1 ZINC000257340717 497405150 /nfs/dbraw/zinc/40/51/50/497405150.db2.gz ZHGQGPATOIHOJK-UHFFFAOYSA-N 1 0 373.497 3.250 40 0 FGABRO Cc1ncc(CNC(=O)Cc2ccc(Cl)cc2)c([C@@H]2CCC[N@H+]2C)n1 ZINC000257336937 497405309 /nfs/dbraw/zinc/40/53/09/497405309.db2.gz YQRIWTBUAAANPV-KRWDZBQOSA-N 1 0 358.873 3.064 40 0 FGABRO CC[NH+](CC)C[C@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)Cc2ccnn21 ZINC000575404683 505972918 /nfs/dbraw/zinc/97/29/18/505972918.db2.gz DAHDUEJUUSBCND-BUMILGAPSA-N 1 0 370.541 3.325 40 0 FGABRO O=C(NCc1ccccc1)N1CC[C@@H]2CC[N@H+](Cc3ccccn3)CC[C@@H]21 ZINC000306138903 498741512 /nfs/dbraw/zinc/74/15/12/498741512.db2.gz SKLJXMCNLZCWGI-FPOVZHCZSA-N 1 0 364.493 3.278 40 0 FGABRO CNc1nc(NCc2cccc(Br)c2)cc(-c2ccccc2)n1 ZINC000328962050 499000168 /nfs/dbraw/zinc/00/01/68/499000168.db2.gz BGUGYCQFPFOFAI-UHFFFAOYSA-N 1 0 369.266 3.404 40 0 FGABRO O=C(Nc1nc2c(s1)CCCCCC2)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000333816161 499081844 /nfs/dbraw/zinc/08/18/44/499081844.db2.gz KEBXLWUQZKBQSH-CQSZACIVSA-N 1 0 359.499 3.175 40 0 FGABRO c1ccc(C[NH+]2C[C@H]3CN(c4ccc(-c5ccccn5)nn4)C[C@@H]3C2)cc1 ZINC000409430445 499596095 /nfs/dbraw/zinc/59/60/95/499596095.db2.gz VOGYHLIKGCYEQY-OALUTQOASA-N 1 0 357.461 3.107 40 0 FGABRO COc1cccc(C[NH+]2CC3(C2)C[C@@H](OCc2cccnc2)CS3)c1 ZINC000585105470 507572949 /nfs/dbraw/zinc/57/29/49/507572949.db2.gz XCUMYASCOYZSBP-LJQANCHMSA-N 1 0 356.491 3.367 40 0 FGABRO O=C1C[C@H]2[C@H](CC[N@@H+]2Cc2ccccn2)N1Cc1ccc(OC(F)F)cc1 ZINC000585108951 507574335 /nfs/dbraw/zinc/57/43/35/507574335.db2.gz HMLRLBVVHNFOEV-ROUUACIJSA-N 1 0 373.403 3.058 40 0 FGABRO Cc1cc(C)cc(O[C@H]2C[N@H+](Cc3ccc(OCCF)cc3)C[C@@H]2O)c1 ZINC000585268698 507582395 /nfs/dbraw/zinc/58/23/95/507582395.db2.gz CARZGXOIKRSDRR-SFTDATJTSA-N 1 0 359.441 3.276 40 0 FGABRO Cc1cc(OC[C@@]2(O)C[N@@H+](C3CCC(C)(C)CC3)CC[C@@H]2O)ccc1F ZINC000585282488 507583722 /nfs/dbraw/zinc/58/37/22/507583722.db2.gz KYUQBMAUCOKCRY-FPOVZHCZSA-N 1 0 365.489 3.279 40 0 FGABRO CCCC(CCC)[N@@H+]1CCOC[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585281983 507584524 /nfs/dbraw/zinc/58/45/24/507584524.db2.gz DPMLHZNCKSKKFX-IBGZPJMESA-N 1 0 357.441 3.376 40 0 FGABRO Cc1ccc(OC[C@@H](O)C[NH2+]Cc2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000585283679 507584750 /nfs/dbraw/zinc/58/47/50/507584750.db2.gz GPVRTTAJIXEFNM-SFHVURJKSA-N 1 0 352.434 3.087 40 0 FGABRO CC1(C)CCC([N@@H+]2CCOC[C@](O)(COc3cccc(F)c3)C2)CC1 ZINC000585282008 507584800 /nfs/dbraw/zinc/58/48/00/507584800.db2.gz FLTUQLAQFWJRNJ-FQEVSTJZSA-N 1 0 351.462 3.237 40 0 FGABRO C=CC(=O)N1CCC[C@@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)[nH+]2)C1 ZINC000585292813 507586498 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1 0 355.482 3.065 40 0 biogenic,in-vitro FGABRO Fc1ccc(F)c(C[NH+]2CCC3(CC2)C[C@H](Nc2ncccn2)CCO3)c1 ZINC000108525307 209289193 /nfs/dbraw/zinc/28/91/93/209289193.db2.gz ZCWZPCBGXYOQND-QGZVFWFLSA-N 1 0 374.435 3.381 40 0 FGABRO Cc1cccc(C(=O)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccco4)[C@H]3C2)n1 ZINC000107746104 209279513 /nfs/dbraw/zinc/27/95/13/209279513.db2.gz WNSPPFIOWBRUPQ-XKGZKEIXSA-N 1 0 353.466 3.356 40 0 FGABRO COc1cccc(C(=O)N[C@H](c2ccccn2)[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000100750005 209217789 /nfs/dbraw/zinc/21/77/89/209217789.db2.gz DAWFYTSCWRHPQS-YRNRMSPPSA-N 1 0 353.466 3.326 40 0 FGABRO COCC[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1ccco1)c1ccccc1O2 ZINC000096242766 209143135 /nfs/dbraw/zinc/14/31/35/209143135.db2.gz FJYGYQAFPVQETL-QGZVFWFLSA-N 1 0 370.449 3.014 40 0 FGABRO C[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@]12CCN(Cc1cccnc1)C2=O ZINC000096201729 209132972 /nfs/dbraw/zinc/13/29/72/209132972.db2.gz NVQUCTZUPOEPLO-IIBYNOLFSA-N 1 0 353.441 3.091 40 0 FGABRO CN(C)C(=O)C[C@@H]1CC2(CC[NH+](C[C@@H]3CCOC3)CC2)c2ccccc21 ZINC000096161232 209128032 /nfs/dbraw/zinc/12/80/32/209128032.db2.gz QWAHALJEOWKBDK-ZWKOTPCHSA-N 1 0 356.510 3.022 40 0 FGABRO O=C(c1nc2c(s1)CC[N@H+](Cc1ccccc1)CC2)N1CCCCC1 ZINC000096147007 209121959 /nfs/dbraw/zinc/12/19/59/209121959.db2.gz ACGUABWIUNCQQR-UHFFFAOYSA-N 1 0 355.507 3.370 40 0 FGABRO Cc1cccc(C[N@H+]2C[C@H]3[C@H](CC[C@@]34N=C(c3ccccc3)NC4=O)C2)c1 ZINC000096087556 209110414 /nfs/dbraw/zinc/11/04/14/209110414.db2.gz RPAUOYGVJNAKOC-ZRCGQRJVSA-N 1 0 359.473 3.152 40 0 FGABRO C[C@H]1[C@H](CC[NH+]2CCCCC2)COCCN1C(=O)Cc1cccc(F)c1 ZINC000306135932 206669553 /nfs/dbraw/zinc/66/95/53/206669553.db2.gz PEVPLNSDTYMDOO-PKOBYXMFSA-N 1 0 362.489 3.108 40 0 FGABRO CCS(=O)(=O)N1CCC[C@@]2(CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000096071283 209106045 /nfs/dbraw/zinc/10/60/45/209106045.db2.gz HUCQJSKNIBZYOF-KRWDZBQOSA-N 1 0 356.919 3.120 40 0 FGABRO COc1cc(OC)cc(-c2cc3nc(C)c(C)c(NCC[NH+](C)C)n3n2)c1 ZINC000004980221 207068130 /nfs/dbraw/zinc/06/81/30/207068130.db2.gz NYOUXGBZLVBIFX-UHFFFAOYSA-N 1 0 369.469 3.004 40 0 FGABRO O=C(Cc1cccs1)Nc1nnc(SCC[NH+]2CCCCC2)s1 ZINC000035316094 207131983 /nfs/dbraw/zinc/13/19/83/207131983.db2.gz XONRGFXNKJYVMD-UHFFFAOYSA-N 1 0 368.553 3.359 40 0 FGABRO Cc1ncsc1C(=O)NC1CC[NH+](CC2(c3ccccc3)CC2)CC1 ZINC000012187133 207346582 /nfs/dbraw/zinc/34/65/82/207346582.db2.gz VJYGYZUTXFWBTQ-UHFFFAOYSA-N 1 0 355.507 3.378 40 0 FGABRO COc1ccc(OC)c(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)c1 ZINC000012089067 207337415 /nfs/dbraw/zinc/33/74/15/207337415.db2.gz KRSZOTHNJFQWDX-VSOVRNOCSA-N 1 0 368.477 3.219 40 0 FGABRO Cc1cc(C[N@@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)c(C)s1 ZINC000012121821 207339417 /nfs/dbraw/zinc/33/94/17/207339417.db2.gz KSPLNAABKPFHDQ-UHFFFAOYSA-N 1 0 352.463 3.481 40 0 FGABRO COc1ccc(C[N@@H+]2CCC[C@@H](n3c4ccccc4oc3=O)C2)cc1OC ZINC000012119127 207339769 /nfs/dbraw/zinc/33/97/69/207339769.db2.gz HYUKNMATNFBKKI-MRXNPFEDSA-N 1 0 368.433 3.449 40 0 FGABRO COc1cc(C[N@@H+]2CCC[C@@H](n3c4ccccc4oc3=O)C2)ccc1O ZINC000012119107 207340011 /nfs/dbraw/zinc/34/00/11/207340011.db2.gz KMDCYFZQJSLZDB-OAHLLOKOSA-N 1 0 354.406 3.146 40 0 FGABRO COc1cccc(-c2nccc3ccn(CC(=O)Nc4c[nH+]ccc4N)c32)c1 ZINC000012134771 207341153 /nfs/dbraw/zinc/34/11/53/207341153.db2.gz DYNQZCBROHRHIC-UHFFFAOYSA-N 1 0 373.416 3.328 40 0 FGABRO CCC1=C(c2ccccc2)[N+](=O)[C@](C)(c2ccc(OC)c(OC)c2)N1O ZINC000019331624 207660933 /nfs/dbraw/zinc/66/09/33/207660933.db2.gz CFTDXUJICLWBLK-HXUWFJFHSA-N 1 0 354.406 3.251 40 0 FGABRO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](CC2CC2)C1)c1ccccn1 ZINC000019400451 207666879 /nfs/dbraw/zinc/66/68/79/207666879.db2.gz MAAKULUYKHYINJ-FXAWDEMLSA-N 1 0 350.466 3.070 40 0 FGABRO COc1ccc(O[C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000030890002 208007830 /nfs/dbraw/zinc/00/78/30/208007830.db2.gz KUFVXPUGOILHBV-KRWDZBQOSA-N 1 0 368.477 3.375 40 0 FGABRO CC(=O)Nc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000030943451 208008358 /nfs/dbraw/zinc/00/83/58/208008358.db2.gz XRKDXXFWGMHDQR-GOSISDBHSA-N 1 0 351.450 3.496 40 0 FGABRO c1ccc(-c2ccc(C[N@@H+]3CCOC[C@H](Oc4cnccn4)C3)cc2)cc1 ZINC000077265901 208197953 /nfs/dbraw/zinc/19/79/53/208197953.db2.gz RDEBBJGARKPARZ-OAQYLSRUSA-N 1 0 361.445 3.423 40 0 biogenic,in-vitro FGABRO O=S(=O)(Cc1ccccc1F)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872282 208319210 /nfs/dbraw/zinc/31/92/10/208319210.db2.gz VHDXUSALLVXOKD-UHFFFAOYSA-N 1 0 362.470 3.041 40 0 FGABRO COc1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)cc1 ZINC000096061689 209105178 /nfs/dbraw/zinc/10/51/78/209105178.db2.gz SWQXHZSSFDEPRY-PKTZIBPZSA-N 1 0 366.505 3.213 40 0 FGABRO Cc1ccc(C[N@@H+]2CC[C@]3(CC[C@@H](C(=O)NCC4CC4)O3)[C@@H](C)C2)s1 ZINC000096061289 209104422 /nfs/dbraw/zinc/10/44/22/209104422.db2.gz LCXYALRTPJNUSN-ADLFWFRXSA-N 1 0 362.539 3.342 40 0 FGABRO Cc1ccc(CN2CC[N@@H+]3C[C@@H](OCc4cccc(C)n4)C[C@@H]3C2)s1 ZINC000096055087 209102594 /nfs/dbraw/zinc/10/25/94/209102594.db2.gz URJOYYSFRMYGFF-MOPGFXCFSA-N 1 0 357.523 3.235 40 0 FGABRO COc1cc(N2CCC[C@]3(CC[N@H+](Cc4ccc(C)s4)C3)C2)ncn1 ZINC000096216513 132222645 /nfs/dbraw/zinc/22/26/45/132222645.db2.gz UVQGWLMQEPYWAG-LJQANCHMSA-N 1 0 358.511 3.348 40 0 FGABRO C1=C[C@@H]2C[C@H]1C[C@@H]2C[NH+]1CCC(N2CCN(c3ccccc3)CC2)CC1 ZINC000224081743 132281083 /nfs/dbraw/zinc/28/10/83/132281083.db2.gz IDTNYARQDYXIEF-PWRODBHTSA-N 1 0 351.538 3.485 40 0 FGABRO Cc1ccc(CN2C(=O)CCc3c(C)nc(C4CC[NH2+]CC4)nc32)cc1 ZINC000257282671 132296352 /nfs/dbraw/zinc/29/63/52/132296352.db2.gz OUTHEIRZVXGFMM-UHFFFAOYSA-N 1 0 350.466 3.040 40 0 FGABRO CCc1cc(N2CCc3cc(C(=O)OC)ccc3C2)nc(N[C@@H](C)CC)[nH+]1 ZINC000328966986 132371969 /nfs/dbraw/zinc/37/19/69/132371969.db2.gz CQDDNOUETRWWHZ-AWEZNQCLSA-N 1 0 368.481 3.021 40 0 FGABRO COC(=O)c1ccc2c(c1)CCN(c1cc(C(C)C)[nH+]c(NC(C)C)n1)C2 ZINC000329005349 132372238 /nfs/dbraw/zinc/37/22/38/132372238.db2.gz KYBROZHEQPZBSG-UHFFFAOYSA-N 1 0 368.481 3.192 40 0 FGABRO COc1cc2c(cc1OC)CN(c1cc(C(C)C)[nH+]c(NC3CC3)n1)CC2 ZINC000329039631 132372893 /nfs/dbraw/zinc/37/28/93/132372893.db2.gz RXXBOIRUWWITPL-UHFFFAOYSA-N 1 0 368.481 3.176 40 0 FGABRO Cc1ccc(C)c(N2CC[NH+](C[C@@H](O)c3ccc4c(c3)CCO4)CC2)c1 ZINC000057823048 136130199 /nfs/dbraw/zinc/13/01/99/136130199.db2.gz AMRCOSSJZWAMIY-OAQYLSRUSA-N 1 0 352.478 3.094 40 0 FGABRO CC[NH+](CC)CCOC(=O)[C@@](O)(c1ccccc1)c1cccc(C)c1C ZINC000001710828 493797714 /nfs/dbraw/zinc/79/77/14/493797714.db2.gz DFPMATMGEZMBLB-JOCHJYFZSA-N 1 0 355.478 3.424 40 0 FGABRO CCOC(=O)C1CC[NH+](C[C@@H](O)COc2ccccc2[C@H](C)CC)CC1 ZINC000002694456 493815104 /nfs/dbraw/zinc/81/51/04/493815104.db2.gz HMGVYESLOZTFDG-SJLPKXTDSA-N 1 0 363.498 3.215 40 0 FGABRO COc1ccccc1OCc1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000002763661 493818539 /nfs/dbraw/zinc/81/85/39/493818539.db2.gz JEXTZQCTSOIZIM-IBGZPJMESA-N 1 0 366.461 3.194 40 0 FGABRO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1Br ZINC000005222306 493920567 /nfs/dbraw/zinc/92/05/67/493920567.db2.gz ARDYYLOYCMPRGQ-CZUORRHYSA-N 1 0 351.288 3.443 40 0 FGABRO C[NH+](CCOC(=O)Nc1ccccc1)CCOC(=O)Nc1ccccc1 ZINC000005965628 493947904 /nfs/dbraw/zinc/94/79/04/493947904.db2.gz QAELNKAIYQBRDJ-UHFFFAOYSA-N 1 0 357.410 3.416 40 0 FGABRO Cc1ccccc1CS(=O)(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000076671394 493948672 /nfs/dbraw/zinc/94/86/72/493948672.db2.gz NXANHJSQOOVJFM-UHFFFAOYSA-N 1 0 358.507 3.210 40 0 FGABRO CC[NH+](CC)CCOC(=O)[C@](O)(c1ccccc1)c1ccc(C)c(C)c1 ZINC000006382282 493961259 /nfs/dbraw/zinc/96/12/59/493961259.db2.gz RCPDVOGPLYLOSK-QFIPXVFZSA-N 1 0 355.478 3.424 40 0 FGABRO Cc1ccc(OCC(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1C ZINC000007105827 494000925 /nfs/dbraw/zinc/00/09/25/494000925.db2.gz OBVDOWBBPVOCAF-UHFFFAOYSA-N 1 0 353.466 3.073 40 0 FGABRO CC(=O)Nc1cccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000009062853 494112810 /nfs/dbraw/zinc/11/28/10/494112810.db2.gz SMXQCJWLIAZORE-UHFFFAOYSA-N 1 0 351.450 3.496 40 0 FGABRO COCCOc1ccc(C[N@@H+]2C[C@@H]3ON=C(c4cccc(C)c4)[C@@H]3C2)cc1 ZINC000072343245 494155147 /nfs/dbraw/zinc/15/51/47/494155147.db2.gz ZJGKHUBLIFQSFF-RTWAWAEBSA-N 1 0 366.461 3.255 40 0 FGABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2ccc(Nc3ccccn3)cn2)C1 ZINC000072353261 494156244 /nfs/dbraw/zinc/15/62/44/494156244.db2.gz FWXPLHCTFCGUOL-QGZVFWFLSA-N 1 0 367.497 3.268 40 0 FGABRO C[N@@H+]1CCC[C@H](c2cccc(CC3(C(=O)N4CCCC4)CCOCC3)c2)C1 ZINC000072372253 494159182 /nfs/dbraw/zinc/15/91/82/494159182.db2.gz YXMAXXFPJAHUOH-NRFANRHFSA-N 1 0 370.537 3.458 40 0 FGABRO Cn1nccc1C[NH+]1CCC(c2ccc(Nc3ccc(F)cn3)cn2)CC1 ZINC000072374257 494159384 /nfs/dbraw/zinc/15/93/84/494159384.db2.gz SHFYVVPHCAKGCS-UHFFFAOYSA-N 1 0 366.444 3.472 40 0 FGABRO CCOc1ncccc1C(=O)N1CCC(c2cc(N(C)C)cc(C)[nH+]2)CC1 ZINC000072391704 494161783 /nfs/dbraw/zinc/16/17/83/494161783.db2.gz QGFQJEGVMCYIBL-UHFFFAOYSA-N 1 0 368.481 3.270 40 0 FGABRO O=c1cc([C@@H]2CCC[N@H+](Cc3ccsc3)C2)nc(-c2ccccn2)[nH]1 ZINC000072393216 494163878 /nfs/dbraw/zinc/16/38/78/494163878.db2.gz SOXTVRREHGMXIS-OAHLLOKOSA-N 1 0 352.463 3.273 40 0 FGABRO c1ccc(-c2cnc(-c3ccncc3)c(C[NH2+]C[C@@H]3COCCO3)c2)cc1 ZINC000012233856 494215882 /nfs/dbraw/zinc/21/58/82/494215882.db2.gz WTHKDJODOAJFIY-OAQYLSRUSA-N 1 0 361.445 3.316 40 0 FGABRO CC[NH+]1CCN(c2ncc(-c3ccsc3)c(-c3nccs3)n2)CC1 ZINC000012275130 494217787 /nfs/dbraw/zinc/21/77/87/494217787.db2.gz KQVSANGNWDEGQH-UHFFFAOYSA-N 1 0 357.508 3.471 40 0 FGABRO COc1ccc(C(=O)N2C[C@H]3CCC[N@H+](Cc4ccncc4C)[C@H]3C2)cc1 ZINC000013227922 494282917 /nfs/dbraw/zinc/28/29/17/494282917.db2.gz QKVSHUJZIKGPPC-CTNGQTDRSA-N 1 0 365.477 3.135 40 0 FGABRO Cc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000015357113 494350417 /nfs/dbraw/zinc/35/04/17/494350417.db2.gz RASLIPGWHNCGBJ-UHFFFAOYSA-N 1 0 358.507 3.459 40 0 FGABRO O=C(C[NH2+]CCc1ccccc1)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000015935927 494372898 /nfs/dbraw/zinc/37/28/98/494372898.db2.gz HIBNFBRLZWHUIE-UHFFFAOYSA-N 1 0 365.477 3.084 40 0 FGABRO C[NH+](C)CC(C)(C)CNC(=O)c1cc(-c2ccncc2)c2cnccc2n1 ZINC000019085006 494435911 /nfs/dbraw/zinc/43/59/11/494435911.db2.gz IKRZSILEYYHZFC-UHFFFAOYSA-N 1 0 363.465 3.009 40 0 FGABRO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000019081800 494436117 /nfs/dbraw/zinc/43/61/17/494436117.db2.gz ACSOWUPGCPNIGC-YQVWRLOYSA-N 1 0 359.514 3.034 40 0 FGABRO Cc1ccc([C@]2(O)CC[C@H]3C[N@H+](Cc4cc5c(cc4C)OCO5)C[C@H]32)nc1 ZINC000019215980 494438134 /nfs/dbraw/zinc/43/81/34/494438134.db2.gz TYIXZIXPRGBRBS-CECAUBDESA-N 1 0 366.461 3.157 40 0 FGABRO Cn1nc(-c2ccc(CNC(=O)C3CCCCC3)cc2)cc1C[NH+](C)C ZINC000019288869 494440978 /nfs/dbraw/zinc/44/09/78/494440978.db2.gz WYIGCRBLPCTWRF-UHFFFAOYSA-N 1 0 354.498 3.345 40 0 FGABRO O=C(c1ccc(Cn2ccnc2)o1)N1CCCC[C@@H]1C[NH+]1CCCCCC1 ZINC000019342577 494442530 /nfs/dbraw/zinc/44/25/30/494442530.db2.gz AMISVNICPXAZFQ-GOSISDBHSA-N 1 0 370.497 3.395 40 0 FGABRO CCOc1cc(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4ccccn4)[C@@H]3C2)ccc1OC ZINC000019532119 494447816 /nfs/dbraw/zinc/44/78/16/494447816.db2.gz YXYZEJUKVXBLLD-SVMVAKDDSA-N 1 0 368.477 3.219 40 0 FGABRO CCOc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C)c(C)c(=O)[nH]3)C2)cc1OC ZINC000019533814 494448953 /nfs/dbraw/zinc/44/89/53/494448953.db2.gz QBDMHTTZECGOOW-QGZVFWFLSA-N 1 0 371.481 3.174 40 0 FGABRO COc1ccc(C[NH+]2CCC([C@@H]3CNC(=O)c4ccccc43)CC2)cc1 ZINC000019554982 494449066 /nfs/dbraw/zinc/44/90/66/494449066.db2.gz KPBHVNDGCVJNLF-NRFANRHFSA-N 1 0 350.462 3.434 40 0 FGABRO Cc1cc2nc([C@H]3CCC[N@H+](Cc4cc(C)c(O)c(C)c4)C3)cc(N)n2n1 ZINC000019569999 494450644 /nfs/dbraw/zinc/45/06/44/494450644.db2.gz YHEBFVWHMBAVIJ-KRWDZBQOSA-N 1 0 365.481 3.322 40 0 FGABRO Cc1ccc(C2(C(=O)NCC(C)(C)[NH+]3CCCCC3)CCOCC2)cc1 ZINC000019657445 494454105 /nfs/dbraw/zinc/45/41/05/494454105.db2.gz CQEAJKUETXUYHK-UHFFFAOYSA-N 1 0 358.526 3.424 40 0 FGABRO CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CC[N@@H+](C2CCCC2)C1 ZINC000019703355 494455169 /nfs/dbraw/zinc/45/51/69/494455169.db2.gz BVGYMGMKUFTYOA-NRFANRHFSA-N 1 0 353.466 3.265 40 0 FGABRO CC1CCN(c2ncc(-c3cncn3CC[N@H+](C)C3CCCC3)cn2)CC1 ZINC000019719992 494458457 /nfs/dbraw/zinc/45/84/57/494458457.db2.gz QLKHGPTWHCFXSI-UHFFFAOYSA-N 1 0 368.529 3.451 40 0 FGABRO C[C@@H]1CCCN(c2ncc(-c3cncn3CCC[NH+]3CCCCC3)cn2)C1 ZINC000019719996 494459122 /nfs/dbraw/zinc/45/91/22/494459122.db2.gz OAGUOBOEBKAIFU-GOSISDBHSA-N 1 0 368.529 3.452 40 0 FGABRO CNc1cc(CN(C)Cc2cccc3cccnc32)nc([C@H]2CCC[NH2+]2)n1 ZINC000019759851 494460339 /nfs/dbraw/zinc/46/03/39/494460339.db2.gz ROEXSMXWLRIDLC-GOSISDBHSA-N 1 0 362.481 3.123 40 0 FGABRO c1cncc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOCc2ccncc2)c1 ZINC000247819484 496919133 /nfs/dbraw/zinc/91/91/33/496919133.db2.gz CMRARAQNICGHJQ-NRFANRHFSA-N 1 0 367.493 3.455 40 0 FGABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Cl)s1 ZINC000223253454 497034101 /nfs/dbraw/zinc/03/41/01/497034101.db2.gz UZBMNNJJKJTRCZ-CABCVRRESA-N 1 0 366.943 3.331 40 0 FGABRO COc1cccc(OCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000224094599 497047640 /nfs/dbraw/zinc/04/76/40/497047640.db2.gz OGJRWCANLHETRZ-UHFFFAOYSA-N 1 0 354.450 3.100 40 0 FGABRO Cn1c2ccc(NC(=O)c3ccc(C[NH+]4CCCC4)cc3)cc2sc1=O ZINC000225041220 497055580 /nfs/dbraw/zinc/05/55/80/497055580.db2.gz GWLZVDFJVVIWCO-UHFFFAOYSA-N 1 0 367.474 3.448 40 0 FGABRO CCOC(=O)c1cccc(NC(=S)NCCC[NH+]2CCC(C)CC2)c1 ZINC000225436839 497062775 /nfs/dbraw/zinc/06/27/75/497062775.db2.gz ZSMHLETWEITJML-UHFFFAOYSA-N 1 0 363.527 3.272 40 0 FGABRO COc1ccc(NC(=S)NCCC[NH+]2CCC(C)CC2)cc1OC ZINC000225435684 497062800 /nfs/dbraw/zinc/06/28/00/497062800.db2.gz UPKMINCLPQXTSJ-UHFFFAOYSA-N 1 0 351.516 3.112 40 0 FGABRO c1cc2n(c1)[C@@H](CCOCC1CCOCC1)C[N@H+](CC1CCOCC1)C2 ZINC000253478511 497334958 /nfs/dbraw/zinc/33/49/58/497334958.db2.gz LLVPDFPJBNFVCC-NRFANRHFSA-N 1 0 362.514 3.105 40 0 FGABRO O=C(C[NH+]1CCCC1)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257253852 497394576 /nfs/dbraw/zinc/39/45/76/497394576.db2.gz KANOEWSHPVITDZ-QGZVFWFLSA-N 1 0 371.456 3.206 40 0 FGABRO Cc1ncsc1C[N@@H+]1CCC[C@@H](c2nccnc2Nc2cnccn2)C1 ZINC000257264338 497396297 /nfs/dbraw/zinc/39/62/97/497396297.db2.gz LTYMRAKRTDQTKY-CQSZACIVSA-N 1 0 367.482 3.155 40 0 FGABRO CC1(C)C[C@H]2[C@H](CCC[N@@H+]2CC(N)=O)N1c1ccc(C(F)(F)F)cc1 ZINC000257261587 497396554 /nfs/dbraw/zinc/39/65/54/497396554.db2.gz LHZHCFRLKXBQLN-GJZGRUSLSA-N 1 0 355.404 3.012 40 0 FGABRO Cc1ncccc1C(=O)N1CC[N@@H+](C)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257262610 497396617 /nfs/dbraw/zinc/39/66/17/497396617.db2.gz LMCKCMTZCBBUIU-GOSISDBHSA-N 1 0 374.488 3.185 40 0 FGABRO COc1ccccc1CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](C[NH3+])CC1 ZINC000257287500 497399756 /nfs/dbraw/zinc/39/97/56/497399756.db2.gz PQFVSTSXXZEYAS-HOIFWPIMSA-N 1 0 367.493 3.255 40 0 FGABRO Cc1cc(C)nc(Nc2cc(C3CC[NH+](Cc4cnc[nH]4)CC3)ccn2)n1 ZINC000257291150 497399967 /nfs/dbraw/zinc/39/99/67/497399967.db2.gz QFWPKHBTGCRBOB-UHFFFAOYSA-N 1 0 363.469 3.335 40 0 FGABRO CN1CCC[C@@H]1c1nc(C(=O)NCc2ccc(F)cc2)c2ccccn21 ZINC000306124879 498736919 /nfs/dbraw/zinc/73/69/19/498736919.db2.gz CBFMWKVQOLLGOH-QGZVFWFLSA-N 1 0 352.413 3.170 40 0 FGABRO Cc1nc(C[N@@H+]2CCC[C@]3(CN(Cc4cccnc4)CCO3)CC2)cs1 ZINC000306126308 498737799 /nfs/dbraw/zinc/73/77/99/498737799.db2.gz DSDBRIRTDUBMFI-HXUWFJFHSA-N 1 0 372.538 3.104 40 0 FGABRO CC(C)(C)OC(=O)N1CCC2(C[N@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000306131587 498738589 /nfs/dbraw/zinc/73/85/89/498738589.db2.gz KJHMNIXGSDVOAX-GOSISDBHSA-N 1 0 360.498 3.128 40 0 FGABRO O=C1c2cccn2[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2N1Cc1ccccn1 ZINC000306132808 498738606 /nfs/dbraw/zinc/73/86/06/498738606.db2.gz LSPNCJBQGQDJFY-RBUKOAKNSA-N 1 0 364.474 3.026 40 0 FGABRO C[N@@H+]1CC[C@H](COCC2CCCC2)CC12CN(C(=O)C1CC(F)(F)C1)C2 ZINC000306143151 498742678 /nfs/dbraw/zinc/74/26/78/498742678.db2.gz XURYKJDUQAUCRP-INIZCTEOSA-N 1 0 370.484 3.161 40 0 FGABRO COc1ccc(Nc2cc(C3CC3)nc(NC3CCCC3)n2)c(OC)c1 ZINC000329043787 499023767 /nfs/dbraw/zinc/02/37/67/499023767.db2.gz SUYIPCCAAXYDKD-UHFFFAOYSA-N 1 0 354.454 3.313 40 0 FGABRO CC(C)[C@@H](CO)Nc1nc(NCc2cc(F)cc(F)c2)cc(C2CC2)[nH+]1 ZINC000329056701 499027982 /nfs/dbraw/zinc/02/79/82/499027982.db2.gz VTPBIJGYCUCWSW-QGZVFWFLSA-N 1 0 362.424 3.095 40 0 FGABRO Cc1cc(F)ccc1Nc1cc(C(F)(F)F)nc(NCC[NH+](C)C)n1 ZINC000329065949 499030809 /nfs/dbraw/zinc/03/08/09/499030809.db2.gz XVSODELFEVPJAY-UHFFFAOYSA-N 1 0 357.355 3.082 40 0 FGABRO c1ccc(C[N@H+]2C[C@H]3CN(c4ccc(-c5ccncc5)nn4)C[C@H]3C2)cc1 ZINC000409429232 499596223 /nfs/dbraw/zinc/59/62/23/499596223.db2.gz QGFRAOOKXWDGOU-BGYRXZFFSA-N 1 0 357.461 3.107 40 0 FGABRO Brc1ccc(C[NH2+]Cc2ccc(Br)nc2)cn1 ZINC000584906612 507565417 /nfs/dbraw/zinc/56/54/17/507565417.db2.gz QIBDCNLRRVNAET-UHFFFAOYSA-N 1 0 357.049 3.291 40 0 FGABRO Cc1noc(C)c1CN1C[C@]2(CCC[N@@H+]([C@H](C)c3ccccc3)C2)C1=O ZINC000585099408 507566037 /nfs/dbraw/zinc/56/60/37/507566037.db2.gz ILEJYFKDIYPCKY-IIBYNOLFSA-N 1 0 353.466 3.477 40 0 FGABRO Cn1cc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOCC2CCCC2)cn1 ZINC000585103214 507567741 /nfs/dbraw/zinc/56/77/41/507567741.db2.gz ADZGCWXYHNSAFL-FQEVSTJZSA-N 1 0 361.530 3.388 40 0 FGABRO Cc1ccc(CN2CC3(C2)CC[C@@H](C[N@@H+](C)Cc2cccnc2)CO3)o1 ZINC000585104152 507570716 /nfs/dbraw/zinc/57/07/16/507570716.db2.gz GIXLPTZTDHERHG-IBGZPJMESA-N 1 0 355.482 3.096 40 0 FGABRO CC(=O)N1C[C@H](COCC2CC2)C2(C1)CC[NH+](CCc1ccccc1)CC2 ZINC000585103805 507571065 /nfs/dbraw/zinc/57/10/65/507571065.db2.gz RHVVBNSIBPDTPT-JOCHJYFZSA-N 1 0 370.537 3.216 40 0 FGABRO COc1ccccc1C[NH2+][C@H]1CCN(C(C)=O)C[C@H]1Cc1ccccc1 ZINC000585269054 507582525 /nfs/dbraw/zinc/58/25/25/507582525.db2.gz JCYCLBMLGILBRJ-RTWAWAEBSA-N 1 0 352.478 3.265 40 0 FGABRO CC1(C)CCC([N@@H+]2CCOC[C@@](O)(COc3cc(F)cc(F)c3)C2)CC1 ZINC000585281742 507585093 /nfs/dbraw/zinc/58/50/93/507585093.db2.gz ADTLOCAAPPZAON-HXUWFJFHSA-N 1 0 369.452 3.376 40 0 FGABRO COCC(=O)N1CC[C@H](c2cc(Nc3ccc(OC)cc3)cc(C)[nH+]2)C1 ZINC000257332609 210000622 /nfs/dbraw/zinc/00/06/22/210000622.db2.gz XYADWNVLOJFDLF-HNNXBMFYSA-N 1 0 355.438 3.105 40 0 FGABRO c1ccc(CC[NH+]2CCC(c3cncc(Nc4cnccn4)n3)CC2)cc1 ZINC000257201087 209960779 /nfs/dbraw/zinc/96/07/79/209960779.db2.gz AGFSGCJHXSVXFW-UHFFFAOYSA-N 1 0 360.465 3.432 40 0 FGABRO COc1ccccc1O[C@@H](C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224790861 209792242 /nfs/dbraw/zinc/79/22/42/209792242.db2.gz FNLPZANDDCEOBS-KRWDZBQOSA-N 1 0 368.477 3.375 40 0 FGABRO Cc1cccc(C[NH+]2CCC(c3c4cccnc4sc3C(N)=O)CC2)n1 ZINC000257293821 223053491 /nfs/dbraw/zinc/05/34/91/223053491.db2.gz QRHOPHAKLWCXPQ-UHFFFAOYSA-N 1 0 366.490 3.478 40 0 FGABRO Cc1ccccc1C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccsc3)[C@H]2C1 ZINC000108531351 209289307 /nfs/dbraw/zinc/28/93/07/209289307.db2.gz VGPFEHGGPZVRDW-OALUTQOASA-N 1 0 356.491 3.172 40 0 FGABRO O=C1CC2(CN1Cc1ccncc1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000108525221 209288479 /nfs/dbraw/zinc/28/84/79/209288479.db2.gz KAJQZOBIPWCYKF-UHFFFAOYSA-N 1 0 353.441 3.235 40 0 FGABRO CN1CCN(C(=O)CC2CCC3(CC[NH2+]CC3)CC2)[C@@H](c2ccccc2)C1 ZINC000096268213 209147674 /nfs/dbraw/zinc/14/76/74/209147674.db2.gz DPCGROMKFAFCSX-OAQYLSRUSA-N 1 0 369.553 3.452 40 0 FGABRO Cc1ccc(C[N@H+]2CCC[C@@]3(C[C@H](N(C)c4ncccn4)CO3)C2)s1 ZINC000096223433 209139826 /nfs/dbraw/zinc/13/98/26/209139826.db2.gz USTHHVVYJDPNIW-QFBILLFUSA-N 1 0 358.511 3.106 40 0 FGABRO CC(C)[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@H]1CCCO1)c1ccccc1O2 ZINC000096242725 209143316 /nfs/dbraw/zinc/14/33/16/209143316.db2.gz RLSQPVNOMDUGCA-PKOBYXMFSA-N 1 0 358.482 3.048 40 0 FGABRO FC1(F)CC[N@H+](Cc2cccs2)C[C@]12CCN(c1cnccn1)C2 ZINC000096239717 209142293 /nfs/dbraw/zinc/14/22/93/209142293.db2.gz YZVHGELZTMMANG-INIZCTEOSA-N 1 0 350.438 3.276 40 0 FGABRO c1csc(C[N@H+]2Cc3cncn3C[C@@H](COCc3ccccn3)C2)c1 ZINC000096217253 209135985 /nfs/dbraw/zinc/13/59/85/209135985.db2.gz ZMIAVPRPQLINDA-INIZCTEOSA-N 1 0 354.479 3.188 40 0 FGABRO COc1ccc(C[NH+]2CCC3(C[C@H](Oc4ccccn4)CO3)CC2)cc1 ZINC000096106958 209112571 /nfs/dbraw/zinc/11/25/71/209112571.db2.gz JELODSFHVMAUNJ-IBGZPJMESA-N 1 0 354.450 3.293 40 0 FGABRO CC[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1ccncc1)c1ccccc1O2 ZINC000096079765 209109907 /nfs/dbraw/zinc/10/99/07/209109907.db2.gz WAGDVOXCUIXSSQ-GOSISDBHSA-N 1 0 351.450 3.190 40 0 FGABRO Cc1noc(C)c1CN1CCOC[C@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000096062398 209106599 /nfs/dbraw/zinc/10/65/99/209106599.db2.gz OKXHOKGTJVQQHC-IBGZPJMESA-N 1 0 361.511 3.077 40 0 FGABRO C[C@H](c1ccccc1)[NH+]1CCN(Cc2ccnc(-c3cccnc3)n2)CC1 ZINC000019459457 220261731 /nfs/dbraw/zinc/26/17/31/220261731.db2.gz YCULDMXWQHJIAG-GOSISDBHSA-N 1 0 359.477 3.417 40 0 FGABRO Cc1ccc(C(=O)N2CCOC[C@]3(CC[N@H+](Cc4cccs4)C3)C2)o1 ZINC000096062410 209105954 /nfs/dbraw/zinc/10/59/54/209105954.db2.gz WBXDWWYOPBSOCQ-IBGZPJMESA-N 1 0 360.479 3.014 40 0 FGABRO CCc1ccc2[nH]c(=O)c([C@@H]3[NH2+]CCc4cc(OC)c(OC)cc43)cc2c1 ZINC000035316193 207132329 /nfs/dbraw/zinc/13/23/29/207132329.db2.gz ZHVZIXDYCXOHTB-OAQYLSRUSA-N 1 0 364.445 3.343 40 0 FGABRO CC(=O)N1Cc2cc(C)ccc2O[C@@]2(CCC[N@H+](Cc3ccccn3)C2)C1 ZINC000012133240 207341388 /nfs/dbraw/zinc/34/13/88/207341388.db2.gz LKBYRHMCIMERBY-JOCHJYFZSA-N 1 0 365.477 3.166 40 0 FGABRO Cc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@H](O)c3ccccc3)CC1)O2 ZINC000012293335 207353246 /nfs/dbraw/zinc/35/32/46/207353246.db2.gz RHBAEUWDTMCWSD-UXHICEINSA-N 1 0 353.462 3.379 40 0 FGABRO O[C@H](C[NH+]1CCC(O)(c2ccccc2F)CC1)c1ccc2c(c1)CCC2 ZINC000012292562 207353628 /nfs/dbraw/zinc/35/36/28/207353628.db2.gz MKEUSTPRGRMTEO-OAQYLSRUSA-N 1 0 355.453 3.331 40 0 FGABRO C[N@@H+]1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)Cc1ccccn1 ZINC000019589092 207690706 /nfs/dbraw/zinc/69/07/06/207690706.db2.gz JYDAPSDDGMDSTM-XJUOHMSHSA-N 1 0 363.505 3.493 40 0 FGABRO CCOc1ccccc1N1CC[NH+](C[C@@H](O)CSc2ccccc2)CC1 ZINC000031666947 208015594 /nfs/dbraw/zinc/01/55/94/208015594.db2.gz AMRPQPBOUVTWFF-GOSISDBHSA-N 1 0 372.534 3.361 40 0 FGABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=S)Nc2ccc3c(c2)OCCO3)C1 ZINC000044140394 208310424 /nfs/dbraw/zinc/31/04/24/208310424.db2.gz GVBQFWFIFTYLCY-GJZGRUSLSA-N 1 0 363.527 3.112 40 0 FGABRO Cc1ccccc1CS(=O)(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872236 208319481 /nfs/dbraw/zinc/31/94/81/208319481.db2.gz SSUULXIMWBQKHQ-UHFFFAOYSA-N 1 0 358.507 3.210 40 0 FGABRO CCOC(=O)[C@@]12C[N@@H+](C(C)C)C[C@@H]1CN(Cc1ccc(F)cc1)CCC2 ZINC000096055906 209104497 /nfs/dbraw/zinc/10/44/97/209104497.db2.gz KINDNUJWYPHLSE-RXVVDRJESA-N 1 0 362.489 3.311 40 0 FGABRO O=C(Nc1cccnc1)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3ccsc3)C[C@@H]21 ZINC000096043508 209100991 /nfs/dbraw/zinc/10/09/91/209100991.db2.gz ATRSGOKMHKMUJF-KZNAEPCWSA-N 1 0 357.479 3.009 40 0 FGABRO C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CCN(C(=O)c1ccsc1)CC2 ZINC000096048024 209100568 /nfs/dbraw/zinc/10/05/68/209100568.db2.gz QRBZBOFBXXIJTA-MRXNPFEDSA-N 1 0 360.479 3.237 40 0 FGABRO Cc1nc([C@H]2CCCC[N@@H+]2CCc2ccccc2)ncc1C(=O)N(C)C ZINC000072345462 208835024 /nfs/dbraw/zinc/83/50/24/208835024.db2.gz VUJQFRACVVKXCI-LJQANCHMSA-N 1 0 352.482 3.257 40 0 FGABRO CNc1nc(N2CCc3cc(Br)ccc3C2)cc(C2CC2)[nH+]1 ZINC000328974955 132372097 /nfs/dbraw/zinc/37/20/97/132372097.db2.gz FIKWDHQKKCFXCA-UHFFFAOYSA-N 1 0 359.271 3.143 40 0 FGABRO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H](O)CO[C@H]2CCC[C@@H]2C)CC1 ZINC000035093044 132374473 /nfs/dbraw/zinc/37/44/73/132374473.db2.gz ASGBNDDPSCZXIH-HQRMLTQVSA-N 1 0 366.933 3.337 40 0 FGABRO Cc1ccc2cc(CNc3ccc(N4CC[NH+](C)CC4)cc3)c(=O)[nH]c2c1 ZINC000072396112 136144788 /nfs/dbraw/zinc/14/47/88/136144788.db2.gz MQGCXCKEEXSIAO-UHFFFAOYSA-N 1 0 362.477 3.200 40 0 FGABRO Cc1ccccc1N1CC[NH+](C[C@@H](O)c2ccc3c(c2)OCCCO3)CC1 ZINC000019237303 136152324 /nfs/dbraw/zinc/15/23/24/136152324.db2.gz OUJGCIRNRQEYML-HXUWFJFHSA-N 1 0 368.477 3.012 40 0 FGABRO O=C(OC1CC[NH+](CC2CC2)CC1)C(O)(c1ccccc1)c1ccccc1 ZINC000001688586 493798178 /nfs/dbraw/zinc/79/81/78/493798178.db2.gz UOICFFZSRXFOSD-UHFFFAOYSA-N 1 0 365.473 3.340 40 0 FGABRO COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H]([NH3+])CC2 ZINC000001735168 493798190 /nfs/dbraw/zinc/79/81/90/493798190.db2.gz NUNCOHUMTCDISK-AWEZNQCLSA-N 1 0 373.474 3.408 40 0 FGABRO C[C@H]1CCCC[N@@H+]1C[C@H](O)COc1c(F)cc(Br)cc1F ZINC000003893515 493859210 /nfs/dbraw/zinc/85/92/10/493859210.db2.gz JUCCUWNVDDWOLY-JQWIXIFHSA-N 1 0 364.230 3.341 40 0 FGABRO CCOc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)ccc1OCC(N)=O ZINC000036612894 494092579 /nfs/dbraw/zinc/09/25/79/494092579.db2.gz QSCUDLBPBCULAE-UHFFFAOYSA-N 1 0 358.482 3.008 40 0 FGABRO CC[N@@H+]1CCC[C@@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216453 494144464 /nfs/dbraw/zinc/14/44/64/494144464.db2.gz CDYDZDWAKPFBSN-QGZVFWFLSA-N 1 0 360.502 3.296 40 0 FGABRO C[NH+]1CCN(c2ccc([C@H]3CCCCN3C(=O)c3ccccc3)cn2)CC1 ZINC000072216559 494145647 /nfs/dbraw/zinc/14/56/47/494145647.db2.gz DJNYUQFPCFKAJN-HXUWFJFHSA-N 1 0 364.493 3.201 40 0 FGABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@H](c2ccc(Nc3ccccn3)cn2)C1 ZINC000072353260 494155699 /nfs/dbraw/zinc/15/56/99/494155699.db2.gz FWXPLHCTFCGUOL-KRWDZBQOSA-N 1 0 367.497 3.268 40 0 FGABRO C[NH+](C)CC(=O)N1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1 ZINC000072350122 494155803 /nfs/dbraw/zinc/15/58/03/494155803.db2.gz BQKKQHKHIVJCIV-KRWDZBQOSA-N 1 0 355.457 3.079 40 0 FGABRO Cc1ncccc1Oc1nccnc1C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000072384176 494161668 /nfs/dbraw/zinc/16/16/68/494161668.db2.gz DWEWSBZKNGJCRG-UHFFFAOYSA-N 1 0 364.453 3.085 40 0 FGABRO Cc1ccc(-c2cccc(C[C@]3(C(=O)NC(C)C)C[NH2+]CCO3)c2)cc1 ZINC000072389359 494161886 /nfs/dbraw/zinc/16/18/86/494161886.db2.gz FQAZKAHONSZZFS-JOCHJYFZSA-N 1 0 352.478 3.088 40 0 FGABRO Fc1ccc(C[NH2+]Cc2cc(-c3ccc(F)cc3)cn3nnnc23)cc1 ZINC000072392353 494162180 /nfs/dbraw/zinc/16/21/80/494162180.db2.gz FPZXDHFCZDWNCM-UHFFFAOYSA-N 1 0 351.360 3.359 40 0 FGABRO Cc1ccc(C(=O)N2Cc3cc(C)ccc3OC3(CC[NH+](C)CC3)C2)o1 ZINC000072393751 494163324 /nfs/dbraw/zinc/16/33/24/494163324.db2.gz ICNBHJQWEBGJRC-UHFFFAOYSA-N 1 0 354.450 3.396 40 0 FGABRO CC1CC[NH+](C[C@H](O)COCCOC23CC4CC(CC(C4)C2)C3)CC1 ZINC000041689937 494174138 /nfs/dbraw/zinc/17/41/38/494174138.db2.gz DWEAPCHMXXYBCW-KGMASTOKSA-N 1 0 351.531 3.081 40 0 FGABRO O=C(N[C@@H](c1nccs1)[C@H]1CCC[N@H+](Cc2ccncc2)C1)C1CC1 ZINC000012088842 494203485 /nfs/dbraw/zinc/20/34/85/494203485.db2.gz GMMVPSDXOXWZHS-DLBZAZTESA-N 1 0 356.495 3.018 40 0 FGABRO CC[NH+]1CCN(c2ncc(-c3cccs3)c(-c3nccs3)n2)CC1 ZINC000012251473 494216724 /nfs/dbraw/zinc/21/67/24/494216724.db2.gz SPODBYWEFRWBSZ-UHFFFAOYSA-N 1 0 357.508 3.471 40 0 FGABRO COc1ccccc1[C@@]1(O)CCC[N@H+](C[C@@H](O)c2ccc(C)c(C)c2)C1 ZINC000012292216 494218735 /nfs/dbraw/zinc/21/87/35/494218735.db2.gz JTCGSYDFKVFFNL-IFMALSPDSA-N 1 0 355.478 3.329 40 0 FGABRO CCCCc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)NCc2ccccc2)no1 ZINC000015673337 494364848 /nfs/dbraw/zinc/36/48/48/494364848.db2.gz LVJBWAWRTXMDLB-OALUTQOASA-N 1 0 369.509 3.492 40 0 biogenic,in-vitro FGABRO CC(=O)N1CCc2nc([C@@H]3CCCC[N@@H+]3CC3CCCCC3)ncc2C1 ZINC000019018260 494434396 /nfs/dbraw/zinc/43/43/96/494434396.db2.gz MWRHSBIGSZQLDC-FQEVSTJZSA-N 1 0 356.514 3.489 40 0 FGABRO Cc1ccc(C2(C[NH+]3CCC(NC(=O)C4CCOCC4)CC3)CC2)cc1 ZINC000019208338 494438597 /nfs/dbraw/zinc/43/85/97/494438597.db2.gz HNMDSVARIWXNSE-UHFFFAOYSA-N 1 0 356.510 3.034 40 0 FGABRO COc1ccc(C[N@@H+]2CCC[C@H](c3nn(C)c4ncccc34)C2)cc1OC ZINC000019289489 494440888 /nfs/dbraw/zinc/44/08/88/494440888.db2.gz IMHBPDVEGVKDBL-INIZCTEOSA-N 1 0 366.465 3.365 40 0 FGABRO COc1ccc2nc(Cl)c(C[NH2+]CC(C)C)c(N3CCOCC3)c2c1 ZINC000019447372 494444650 /nfs/dbraw/zinc/44/46/50/494444650.db2.gz HVTXMYLRORAIBR-UHFFFAOYSA-N 1 0 363.889 3.479 40 0 FGABRO O=c1cc([C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)C2)nc(-c2ccccn2)[nH]1 ZINC000019402866 494444682 /nfs/dbraw/zinc/44/46/82/494444682.db2.gz JRJGFFNNKLDWFY-AWEZNQCLSA-N 1 0 368.387 3.100 40 0 FGABRO CCc1ncc(C[N@@H+]2C[C@@H]3CCC[C@@](O)(c4ccc(F)cc4)[C@@H]3C2)cn1 ZINC000019523307 494447970 /nfs/dbraw/zinc/44/79/70/494447970.db2.gz VKTJQXSXGKQACM-LDQXTDLNSA-N 1 0 355.457 3.298 40 0 FGABRO COc1ccccc1C[N@@H+]1CCC[C@H](c2cc(C(=O)N3CCCC3)on2)C1 ZINC000019570288 494449877 /nfs/dbraw/zinc/44/98/77/494449877.db2.gz WOIBNPSQNIWXAH-INIZCTEOSA-N 1 0 369.465 3.299 40 0 FGABRO Cc1cc2[nH]c(CCC(=O)N[C@H](C)C[NH+]3CCCCCC3)nc2c(C)c1 ZINC000019568394 494450585 /nfs/dbraw/zinc/45/05/85/494450585.db2.gz UMVKPOGWIJPNHA-QGZVFWFLSA-N 1 0 356.514 3.493 40 0 FGABRO CN(C)C(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CC[N@H+](CC2CC2)C1 ZINC000019580280 494451635 /nfs/dbraw/zinc/45/16/35/494451635.db2.gz LKIQXUJQEAUDBT-QHCPKHFHSA-N 1 0 363.505 3.481 40 0 FGABRO CC[C@H](C[NH+]1CCOCC1)n1cncc1-c1ccc2c(c1)CCCN2C ZINC000019720033 494458584 /nfs/dbraw/zinc/45/85/84/494458584.db2.gz QMZBLQZMPXCDKJ-LJQANCHMSA-N 1 0 354.498 3.216 40 0 FGABRO COc1ccc(O[C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000023241089 494557609 /nfs/dbraw/zinc/55/76/09/494557609.db2.gz HWYGVRYYSYWBHI-KRWDZBQOSA-N 1 0 368.477 3.375 40 0 FGABRO Cc1cccnc1C[NH2+]C[C@H]1Cn2c(-c3ccc(F)cc3)cnc2CO1 ZINC000096296385 495009866 /nfs/dbraw/zinc/00/98/66/495009866.db2.gz FOBXGJQAGPBWMB-KRWDZBQOSA-N 1 0 352.413 3.081 40 0 biogenic,in-vitro FGABRO CC(=O)N1C[C@@H](COCC2CC2)C2(C1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC000247915212 496926845 /nfs/dbraw/zinc/92/68/45/496926845.db2.gz FSMDWPYUEPHJNZ-FQEVSTJZSA-N 1 0 374.500 3.313 40 0 FGABRO CSc1nnc(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)s1 ZINC000223300895 497035807 /nfs/dbraw/zinc/03/58/07/497035807.db2.gz DXBYVAKCCRKMAY-UHFFFAOYSA-N 1 0 362.524 3.419 40 0 FGABRO Cc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224663950 497052020 /nfs/dbraw/zinc/05/20/20/497052020.db2.gz DTLWATZFIUEFJI-UHFFFAOYSA-N 1 0 358.507 3.459 40 0 FGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(N2CCCC2=O)c1 ZINC000224994885 497054998 /nfs/dbraw/zinc/05/49/98/497054998.db2.gz NTIHQWAYVIGEDI-SFHVURJKSA-N 1 0 357.498 3.198 40 0 FGABRO CCn1cc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOc2ccccn2)cn1 ZINC000249681487 497230803 /nfs/dbraw/zinc/23/08/03/497230803.db2.gz BIMHTULBYRSACT-LJQANCHMSA-N 1 0 370.497 3.138 40 0 FGABRO CCc1ncc(C[N@@H+]2C[C@@H]3CCC[C@](O)(c4ccccc4OC)[C@H]3C2)cn1 ZINC000253606534 497345676 /nfs/dbraw/zinc/34/56/76/497345676.db2.gz RAEYJWJNGGKLRB-JLMWRMLUSA-N 1 0 367.493 3.167 40 0 FGABRO CNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@H+](Cc2cn(C)nc2C)C1 ZINC000257199965 497389001 /nfs/dbraw/zinc/38/90/01/497389001.db2.gz ABMDHBOVHIYEHX-CQSZACIVSA-N 1 0 368.506 3.292 40 0 FGABRO C[N@@H+]1CCN(Cc2ncccc2F)C[C@H](Cc2cncc3ccccc32)C1 ZINC000257207379 497390181 /nfs/dbraw/zinc/39/01/81/497390181.db2.gz BHMMEENFROWJTH-QGZVFWFLSA-N 1 0 364.468 3.375 40 0 FGABRO CC(=O)N[C@@H]1C[C@H](c2ccccc2OCC[NH+](C)C)O[C@@H]2CCCC[C@@H]12 ZINC000257284026 497399272 /nfs/dbraw/zinc/39/92/72/497399272.db2.gz PAYGUWJSQGDTQA-RCVZYCBYSA-N 1 0 360.498 3.152 40 0 FGABRO COc1ncccc1C[N@H+]1C[C@@H]2Cc3ncc(-c4ccccc4)n3C[C@H]2C1 ZINC000306129166 498739179 /nfs/dbraw/zinc/73/91/79/498739179.db2.gz HWGOUQUQAYZHKI-RBUKOAKNSA-N 1 0 360.461 3.258 40 0 FGABRO Cc1cccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4cccnc4)C2)OC3)c1 ZINC000306139915 498741241 /nfs/dbraw/zinc/74/12/41/498741241.db2.gz UDTBLUNWCHRVGU-JOCHJYFZSA-N 1 0 360.461 3.428 40 0 FGABRO c1ccc(C[N@@H+]2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)nc1 ZINC000306135309 498741324 /nfs/dbraw/zinc/74/13/24/498741324.db2.gz ONDGALBWKONZBB-QGZVFWFLSA-N 1 0 362.481 3.104 40 0 FGABRO Fc1cccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4ccoc4)C2)OC3)c1 ZINC000306144846 498742080 /nfs/dbraw/zinc/74/20/80/498742080.db2.gz ZQEADNDTOSHAKX-FQEVSTJZSA-N 1 0 353.397 3.457 40 0 FGABRO COc1ccc(-c2cnc3n2C[C@H]2C[N@@H+](Cc4cccnc4)C[C@@H]2C3)cc1 ZINC000306142755 498742330 /nfs/dbraw/zinc/74/23/30/498742330.db2.gz XIJXTRFPPCNVSN-RBUKOAKNSA-N 1 0 360.461 3.258 40 0 FGABRO Cc1c(F)cccc1Nc1cc(-c2ccccc2)nc(NCC[NH+](C)C)n1 ZINC000328964918 499000275 /nfs/dbraw/zinc/00/02/75/499000275.db2.gz BYEWMVCXXYMZCC-UHFFFAOYSA-N 1 0 365.456 3.152 40 0 FGABRO O=C(C[C@H]1Cn2cccc2C[N@H+](Cc2cccs2)C1)NCc1ccco1 ZINC000585099082 507565592 /nfs/dbraw/zinc/56/55/92/507565592.db2.gz JHKXHKLKFHREMT-MRXNPFEDSA-N 1 0 369.490 3.481 40 0 FGABRO C[N@@H+](Cc1cccnc1)C[C@H]1CCC2(CN(Cc3ccc(F)cc3)C2)OC1 ZINC000585105183 507572689 /nfs/dbraw/zinc/57/26/89/507572689.db2.gz PSKQGAPDTNMETN-HXUWFJFHSA-N 1 0 369.484 3.334 40 0 FGABRO Cc1c[nH]c(-c2cc(C[C@@H]3CC[N@H+](Cc4scnc4C)C3)ncn2)n1 ZINC000585178853 507579700 /nfs/dbraw/zinc/57/97/00/507579700.db2.gz QOGOHRLKDHQCPA-AWEZNQCLSA-N 1 0 354.483 3.005 40 0 FGABRO Cc1ccc2cc(C[NH2+]C[C@H](O)COc3c(C)cccc3C)c(=O)[nH]c2c1 ZINC000585284515 507584042 /nfs/dbraw/zinc/58/40/42/507584042.db2.gz LQEJMDGTPGEBLD-IBGZPJMESA-N 1 0 366.461 3.395 40 0 FGABRO OCCC1CC[NH+]([C@H]2CCC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)CC1 ZINC000585290402 507586545 /nfs/dbraw/zinc/58/65/45/507586545.db2.gz WALIQJBCIBQYQL-IPMKNSEASA-N 1 0 353.890 3.095 40 0 FGABRO Cc1cccc2nc(C(=O)N3[C@H]4C[C@@]5(C)[C@@H]3CCCC[C@H]5[N@H+](C)C4)cn21 ZINC000257337234 210001722 /nfs/dbraw/zinc/00/17/22/210001722.db2.gz YRYYSNRSPZFQSU-CQSHLORDSA-N 1 0 352.482 3.120 40 0 FGABRO C[C@]12C[C@@H](Cc3ccccc3)N(C(=O)c3cc[nH]n3)[C@H]1CCCCC[NH2+]2 ZINC000257303236 209991762 /nfs/dbraw/zinc/99/17/62/209991762.db2.gz SGHSAEYKRVVOSZ-LMNJBCLMSA-N 1 0 352.482 3.158 40 0 FGABRO CCc1ccc(C(=O)N2CCC3(C[N@H+](C)C[C@@H]3COCC3CC3)CC2)cc1 ZINC000248141306 209926956 /nfs/dbraw/zinc/92/69/56/209926956.db2.gz QHVUVWUVWXCVPJ-OAQYLSRUSA-N 1 0 370.537 3.460 40 0 FGABRO COCCN1c2ccccc2C2(CC[NH+](Cc3ccsc3)CC2)C1=O ZINC000105524861 209267599 /nfs/dbraw/zinc/26/75/99/209267599.db2.gz CDTPOJMMNGDAPJ-UHFFFAOYSA-N 1 0 356.491 3.275 40 0 FGABRO Cn1c(C(=O)N2CCC[N@H+](C)CC2)cc2c1c1ccccc1n2CC1CC1 ZINC000096264222 209147504 /nfs/dbraw/zinc/14/75/04/209147504.db2.gz IARPBCRSRSRBCG-UHFFFAOYSA-N 1 0 364.493 3.321 40 0 FGABRO Cc1ncsc1C[N@@H+]1CC[C@@]2(C1)CCC[C@H](CNc1ccccn1)O2 ZINC000096209900 209135966 /nfs/dbraw/zinc/13/59/66/209135966.db2.gz BDUGUQRMKVQDHX-VQIMIIECSA-N 1 0 358.511 3.472 40 0 FGABRO Cc1cnc(N[C@@H]2CCO[C@]3(CC[N@H+](Cc4cccc(F)c4)C3)C2)nc1 ZINC000096209215 209136423 /nfs/dbraw/zinc/13/64/23/209136423.db2.gz VVAALRLMEHHJAO-UYAOXDASSA-N 1 0 356.445 3.160 40 0 FGABRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)C[C@H](NC(=O)c2ccco2)CCO3)cc1 ZINC000096216142 209136445 /nfs/dbraw/zinc/13/64/45/209136445.db2.gz IRTDEVBDGARKSF-WIYYLYMNSA-N 1 0 354.450 3.142 40 0 FGABRO Cn1cncc1C[NH+]1CCC2(CC1)c1ccccc1N(c1cccnc1)C2=O ZINC000096078908 209108200 /nfs/dbraw/zinc/10/82/00/209108200.db2.gz YVMKXQUZVYPFDV-UHFFFAOYSA-N 1 0 373.460 3.027 40 0 FGABRO CCCCOc1c(OC)cc(C(=O)OCC[NH+]2CCCC2)cc1OC ZINC000004215138 207007671 /nfs/dbraw/zinc/00/76/71/207007671.db2.gz IDMYDMZQNZFFBK-UHFFFAOYSA-N 1 0 351.443 3.135 40 0 in-man FGABRO COc1cc2c(cc1C[N@@H+](Cc1ccc3c(c1)OCO3)C[C@@H](C)O)CCC2 ZINC000012185855 207344627 /nfs/dbraw/zinc/34/46/27/207344627.db2.gz MCMYXBLXUSDLMW-OAHLLOKOSA-N 1 0 369.461 3.296 40 0 FGABRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](C[C@H](O)c2ccc(C)cc2)CC1 ZINC000012188315 207346067 /nfs/dbraw/zinc/34/60/67/207346067.db2.gz WCLREPAHNKINIR-NRFANRHFSA-N 1 0 370.468 3.295 40 0 FGABRO COc1ccc(C[N@@H+]2CCC[C@@H]3CN(C(=O)CC(C)C)C[C@@H]32)cc1OC ZINC000012188221 207346832 /nfs/dbraw/zinc/34/68/32/207346832.db2.gz IMGJKPWWWZTBLK-MSOLQXFVSA-N 1 0 360.498 3.173 40 0 FGABRO Cc1cnccc1C[NH+]1CCC(O)(Cn2ccc3nc(Cl)ccc32)CC1 ZINC000012089015 207336710 /nfs/dbraw/zinc/33/67/10/207336710.db2.gz UDKRVXPAXYJDIH-UHFFFAOYSA-N 1 0 370.884 3.420 40 0 FGABRO COc1ccc(OC)c(C[N@@H+]2CCC[C@@H](n3c4ccccc4oc3=O)C2)c1 ZINC000012119153 207338925 /nfs/dbraw/zinc/33/89/25/207338925.db2.gz IGGYHQGDYBUALN-MRXNPFEDSA-N 1 0 368.433 3.449 40 0 FGABRO Cc1ccc([C@H](O)C[N@H+]2CC=C(c3cc4nc(C)cc(C)n4n3)CC2)cc1 ZINC000012233108 207350257 /nfs/dbraw/zinc/35/02/57/207350257.db2.gz PVGPVPRFOJAMST-OAQYLSRUSA-N 1 0 362.477 3.477 40 0 FGABRO C[NH+](C)C[C@@H]1COc2ccccc2CN1C(=O)C1(c2ccccc2F)CC1 ZINC000012366172 207366138 /nfs/dbraw/zinc/36/61/38/207366138.db2.gz RYSGSDGJAMFQJV-QGZVFWFLSA-N 1 0 368.452 3.209 40 0 FGABRO CC(C)(C)c1n[nH]cc1C[NH+]1CCC(O)(Cn2cnc3ccccc32)CC1 ZINC000019083481 207641111 /nfs/dbraw/zinc/64/11/11/207641111.db2.gz VDMXXTJTQPNBJO-UHFFFAOYSA-N 1 0 367.497 3.084 40 0 FGABRO O[C@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccc(F)cc1 ZINC000019374904 207668181 /nfs/dbraw/zinc/66/81/81/207668181.db2.gz VSBHTGOEVXWQNB-RTBURBONSA-N 1 0 357.425 3.210 40 0 FGABRO Cc1cccc(C[NH+]2CCC(C(=O)NCCN(C)c3ccccc3)CC2)c1 ZINC000044916787 208322925 /nfs/dbraw/zinc/32/29/25/208322925.db2.gz UYLCALGVJHAJAG-UHFFFAOYSA-N 1 0 365.521 3.460 40 0 FGABRO CC[C@@H]1[N@H+](Cc2ccc(C)s2)CCC[C@]12CCC(=O)N2CCOC ZINC000096052438 209102749 /nfs/dbraw/zinc/10/27/49/209102749.db2.gz HFIPYGREZIMTLN-HKUYNNGSSA-N 1 0 350.528 3.439 40 0 FGABRO COc1ccc(C[N@@H+]2CC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)cc1 ZINC000096050628 209103167 /nfs/dbraw/zinc/10/31/67/209103167.db2.gz XECIQHSCFKBUGL-JOCHJYFZSA-N 1 0 368.452 3.459 40 0 FGABRO CC(C)OC(=O)c1cc(N)ccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000225487120 132284907 /nfs/dbraw/zinc/28/49/07/132284907.db2.gz QVAUHZYESGSNTL-UHFFFAOYSA-N 1 0 353.466 3.156 40 0 FGABRO CC(C)c1cc(N2CCc3cc(Cl)ccc3C2)nc(NCC[NH+](C)C)n1 ZINC000329001463 132372350 /nfs/dbraw/zinc/37/23/50/132372350.db2.gz KEPJSDGFRLKGIW-UHFFFAOYSA-N 1 0 373.932 3.212 40 0 FGABRO CCNc1nc(N2CCc3ccc(OC(F)(F)F)cc3C2)cc(C)[nH+]1 ZINC000329035331 132372864 /nfs/dbraw/zinc/37/28/64/132372864.db2.gz RDRKBBPYZQVJGT-UHFFFAOYSA-N 1 0 352.360 3.100 40 0 FGABRO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1ccccc1Cl ZINC000010544237 263366244 /nfs/dbraw/zinc/36/62/44/263366244.db2.gz PUSGNZCDJAHWOM-INIZCTEOSA-N 1 0 358.935 3.414 40 0 FGABRO COc1cc(CC[NH+]2CCN(c3ccc(C)cc3)CC2)cc(OC)c1OC ZINC000005337632 493926266 /nfs/dbraw/zinc/92/62/66/493926266.db2.gz KSENXBKZNUAFII-UHFFFAOYSA-N 1 0 370.493 3.386 40 0 FGABRO COc1ccc(CC[NH2+]CC(=O)Nc2ccccc2N2CCCCC2)cc1 ZINC000035311441 494073846 /nfs/dbraw/zinc/07/38/46/494073846.db2.gz FHSYMFVFFMXNKW-UHFFFAOYSA-N 1 0 367.493 3.456 40 0 FGABRO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039772786 494123551 /nfs/dbraw/zinc/12/35/51/494123551.db2.gz JRYDTELREQUNQY-UHFFFAOYSA-N 1 0 356.397 3.405 40 0 FGABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C)c(C)c(=O)[nH]3)C2)cc1OC ZINC000072351246 494156224 /nfs/dbraw/zinc/15/62/24/494156224.db2.gz UDEXLYOZJNLNRK-MRXNPFEDSA-N 1 0 357.454 3.196 40 0 FGABRO C[C@H](O)C[N@@H+](Cc1ccc2c(c1)OCO2)CC1=Cc2ccccc2OC1 ZINC000013991917 494298751 /nfs/dbraw/zinc/29/87/51/494298751.db2.gz VNJHYDWIQSOUMS-HNNXBMFYSA-N 1 0 353.418 3.074 40 0 FGABRO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(Br)cc1 ZINC000017467237 494414589 /nfs/dbraw/zinc/41/45/89/494414589.db2.gz BSMSXZZANUSLQQ-HOCLYGCPSA-N 1 0 351.288 3.443 40 0 FGABRO Cc1ccc(C)c([C@@H](O)C[N@@H+]2CCC[C@@H](C(=O)N3CCCCCC3)C2)c1 ZINC000019132025 494436619 /nfs/dbraw/zinc/43/66/19/494436619.db2.gz IOWLGHNBLZEGCQ-CTNGQTDRSA-N 1 0 358.526 3.451 40 0 FGABRO COc1ccc(C)cc1C[N@@H+]1C[C@@H]2CC[C@@](O)(c3ccc(C)cn3)[C@@H]2C1 ZINC000019133205 494436858 /nfs/dbraw/zinc/43/68/58/494436858.db2.gz LPAQBXVYIBNNSL-KPLVRAHFSA-N 1 0 352.478 3.437 40 0 FGABRO Fc1ccc(-c2cc(C[NH2+]Cc3cccc(F)c3)c3nnnn3c2)cc1 ZINC000019293933 494441044 /nfs/dbraw/zinc/44/10/44/494441044.db2.gz OPNKOYAPOCKTLV-UHFFFAOYSA-N 1 0 351.360 3.359 40 0 FGABRO CCc1nc2ccccc2n1C[C@@H](C)C(=O)N1CCC[C@@H](C[NH+](C)C)C1 ZINC000019523265 494447292 /nfs/dbraw/zinc/44/72/92/494447292.db2.gz BUTSSRPTLWDRTJ-SJORKVTESA-N 1 0 356.514 3.035 40 0 FGABRO COc1ccc(C[N@@H+]2CC[C@@H](c3cc4ncccc4c(=O)[nH]3)C2)c(OC)c1 ZINC000019552198 494448447 /nfs/dbraw/zinc/44/84/47/494448447.db2.gz SRHVLHHZFDZOOC-CQSZACIVSA-N 1 0 365.433 3.342 40 0 FGABRO COc1cccc(C[N@@H+]2CC[C@@H](c3nc(-c4cccnc4)no3)C2)c1OC ZINC000019567632 494450228 /nfs/dbraw/zinc/45/02/28/494450228.db2.gz SIVRPSKTRGKGGI-MRXNPFEDSA-N 1 0 366.421 3.138 40 0 FGABRO CCCc1ncc(CN(Cc2ccccn2)C[C@@H]2CCC[N@@H+]2CC)cn1 ZINC000023247789 494559161 /nfs/dbraw/zinc/55/91/61/494559161.db2.gz DJUURZSDQCILRU-FQEVSTJZSA-N 1 0 353.514 3.311 40 0 FGABRO O=C1[C@@H]2C[C@@H](C[N@@H+]2C2CCCC2)Oc2ccccc2N1Cc1cccnc1 ZINC000096111829 495002230 /nfs/dbraw/zinc/00/22/30/495002230.db2.gz UIZKAPBCDFCYAQ-ICSRJNTNSA-N 1 0 363.461 3.393 40 0 biogenic,in-vitro FGABRO Cc1cc(C(=O)N2CC3(C2)OCC[C@@H]3CCNc2ccccn2)c(C)o1 ZINC000247830090 496920263 /nfs/dbraw/zinc/92/02/63/496920263.db2.gz KUOUFNOKRFTEJS-INIZCTEOSA-N 1 0 355.438 3.025 40 0 FGABRO Cc1nc(CN2CC[C@H]3OCCC[C@@]3(COc3cccnc3)C2)cs1 ZINC000247922872 496928083 /nfs/dbraw/zinc/92/80/83/496928083.db2.gz AAAFICBANUMLNC-MOPGFXCFSA-N 1 0 359.495 3.297 40 0 FGABRO COC[C@@H]1CN(C(C)=O)CC12CC[NH+](Cc1ccccc1Cl)CC2 ZINC000247929396 496928817 /nfs/dbraw/zinc/92/88/17/496928817.db2.gz JHRSSAPXQWNSQC-KRWDZBQOSA-N 1 0 350.890 3.047 40 0 FGABRO C[N@@H+]1C[C@H](COCC2CC2)C2(C1)CCN(C(=O)CCc1ccccc1)CC2 ZINC000247960337 496933357 /nfs/dbraw/zinc/93/33/57/496933357.db2.gz DELPNPFKSOANGR-OAQYLSRUSA-N 1 0 370.537 3.216 40 0 FGABRO COC[C@@H]1C[N@H+](C)CC12CCN(C(=O)CCc1ccc(Cl)cc1)CC2 ZINC000247960387 496933720 /nfs/dbraw/zinc/93/37/20/496933720.db2.gz DKUXOIUUNXLDIG-KRWDZBQOSA-N 1 0 364.917 3.089 40 0 FGABRO COc1ccccc1C[N@@H+]1C[C@@H]2OC[C@H](CCOCc3ccncc3)[C@@H]2C1 ZINC000248140408 496961452 /nfs/dbraw/zinc/96/14/52/496961452.db2.gz PKUABBPGGFVGTD-ONTIZHBOSA-N 1 0 368.477 3.144 40 0 FGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1cccc(C(=O)OC)c1 ZINC000225582746 497068811 /nfs/dbraw/zinc/06/88/11/497068811.db2.gz FNORTJZPLVCAQG-QGZVFWFLSA-N 1 0 363.527 3.414 40 0 FGABRO Cc1cccnc1NC(=S)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000225773779 497074713 /nfs/dbraw/zinc/07/47/13/497074713.db2.gz VCDUHRSBJULZDR-UHFFFAOYSA-N 1 0 370.522 3.350 40 0 FGABRO CCOC[C@@]1(C[NH3+])[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(CC)cc1 ZINC000252516842 497309678 /nfs/dbraw/zinc/30/96/78/497309678.db2.gz XFDUMIFOQNTHGJ-NJDAHSKKSA-N 1 0 373.518 3.170 40 0 FGABRO Cc1ccsc1C[N@H+]1CCC[C@@H](Cc2cc(C(=O)N(C)C)nc(C)n2)C1 ZINC000257231183 497392918 /nfs/dbraw/zinc/39/29/18/497392918.db2.gz GFQLEWBSNYTNDS-INIZCTEOSA-N 1 0 372.538 3.311 40 0 FGABRO Cc1ccsc1C[N@H+]1CCC[C@@](C)(c2nc3c(c(C)n2)CC(=O)N3C)C1 ZINC000257232232 497393348 /nfs/dbraw/zinc/39/33/48/497393348.db2.gz GJXMRONOBKEOBF-HXUWFJFHSA-N 1 0 370.522 3.228 40 0 FGABRO C[C@]12C[C@@H](Cc3ccccc3)[N@@H+](C3CCOCC3)[C@H]1CCCCC(=O)N2 ZINC000257246371 497394900 /nfs/dbraw/zinc/39/49/00/497394900.db2.gz ITVCMUYUPSTLHP-URVUXULASA-N 1 0 356.510 3.300 40 0 FGABRO C[NH+]1CCC(C(=O)N2CCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)CC1 ZINC000257265552 497396157 /nfs/dbraw/zinc/39/61/57/497396157.db2.gz LZDJSBIOYXQDEX-LJQANCHMSA-N 1 0 371.456 3.410 40 0 FGABRO Cc1ncsc1C[NH+]1CCC(Cc2cc(-c3nccn3C)ncn2)CC1 ZINC000257256841 497396524 /nfs/dbraw/zinc/39/65/24/497396524.db2.gz KNBYNRCSCBXXFZ-UHFFFAOYSA-N 1 0 368.510 3.097 40 0 FGABRO Cc1cccnc1Nc1cc([C@@H]2CCCN2Cc2nccn2C)nc(C)n1 ZINC000257262200 497396785 /nfs/dbraw/zinc/39/67/85/497396785.db2.gz LKOIDMAGOAURPJ-KRWDZBQOSA-N 1 0 363.469 3.303 40 0 FGABRO COc1ccccc1Oc1nccnc1[C@H]1CCCN(Cc2c[nH]cn2)C1 ZINC000257265263 497396932 /nfs/dbraw/zinc/39/69/32/497396932.db2.gz LXXPYWMGJNYWIY-HNNXBMFYSA-N 1 0 365.437 3.380 40 0 FGABRO Cc1cccc(C(=O)N2CC[N@@H+](C)C[C@H](Cc3cncc4ccccc43)C2)n1 ZINC000257290281 497399492 /nfs/dbraw/zinc/39/94/92/497399492.db2.gz QCGUHJKCTFBOHE-SFHVURJKSA-N 1 0 374.488 3.185 40 0 FGABRO CC[NH+](CC)C[C@H]1Cn2nccc2CN(C(=O)CCc2ccccc2C)C1 ZINC000306123011 498736518 /nfs/dbraw/zinc/73/65/18/498736518.db2.gz ACEFTIZFVZPHSZ-LJQANCHMSA-N 1 0 368.525 3.125 40 0 FGABRO O=C(NCc1ccccc1)N1CC[C@H]2CC[N@H+](Cc3ccccn3)CC[C@H]21 ZINC000306138905 498741496 /nfs/dbraw/zinc/74/14/96/498741496.db2.gz SKLJXMCNLZCWGI-TZIWHRDSSA-N 1 0 364.493 3.278 40 0 FGABRO CCOC[C@H]1CC[N@H+](CC2CC2)C2(CN(C(=O)c3ccccc3F)C2)C1 ZINC000306137413 498741601 /nfs/dbraw/zinc/74/16/01/498741601.db2.gz QVQRLNCNNOWOSI-KRWDZBQOSA-N 1 0 360.473 3.179 40 0 FGABRO Cc1cc(Nc2cc(-c3ccncc3)nc(NCC[NH+](C)C)n2)ccc1F ZINC000328981572 499005378 /nfs/dbraw/zinc/00/53/78/499005378.db2.gz GUJXNEAQDGDUAG-UHFFFAOYSA-N 1 0 366.444 3.125 40 0 FGABRO c1nc(Nc2cncc(C[C@@H]3CCC[NH2+]C3)n2)sc1-c1ccccc1 ZINC000585263281 507581557 /nfs/dbraw/zinc/58/15/57/507581557.db2.gz UXTAEZQJYFGWEU-AWEZNQCLSA-N 1 0 351.479 3.308 40 0 FGABRO Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]CCOc3ccc(F)cc3)[C@H]2O)c1 ZINC000585288705 507585594 /nfs/dbraw/zinc/58/55/94/507585594.db2.gz IGMYFVIIMXWNAT-PWRODBHTSA-N 1 0 359.441 3.464 40 0 FGABRO COc1ccccc1CC[NH2+][C@H]1CCC[C@@H](Oc2ccccc2C)[C@@H]1O ZINC000585289334 507585787 /nfs/dbraw/zinc/58/57/87/507585787.db2.gz IGMGOVYNWWVUIJ-VLCRHTCISA-N 1 0 355.478 3.497 40 0 FGABRO OC[C@@H]1[C@H](O)[C@@H](c2ccc(Cl)cc2)C[N@@H+]1Cc1ccc2[nH]ccc2c1 ZINC000585292924 507586611 /nfs/dbraw/zinc/58/66/11/507586611.db2.gz PTXAPYJIHBSSKZ-MISYRCLQSA-N 1 0 356.853 3.143 40 0 FGABRO COc1ccc(CN2CCO[C@@]3(CCCC[C@H]3[NH+]3CCCC3)C2)cc1O ZINC000306137559 518151064 /nfs/dbraw/zinc/15/10/64/518151064.db2.gz QZVBOWIBYPGUCF-RTWAWAEBSA-N 1 0 360.498 3.010 40 0 FGABRO CC[C@H](Oc1cccc(OC)c1)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020105308 522886981 /nfs/dbraw/zinc/88/69/81/522886981.db2.gz RGPWJQRNVGIHFY-QKLQHJQFSA-N 1 0 362.514 3.337 40 0 FGABRO C[NH+](C)Cc1cccc([C@H]2CCCN2C(=O)c2cc(C(C)(C)C)n[nH]2)n1 ZINC000257340089 210001810 /nfs/dbraw/zinc/00/18/10/210001810.db2.gz ZELLKCBMDFDNEU-QGZVFWFLSA-N 1 0 355.486 3.141 40 0 FGABRO Cc1nc([C@@]2(C)CCCN(C(=O)CC[NH+]3CCCCC3)C2)c2sccn12 ZINC000257336147 210002708 /nfs/dbraw/zinc/00/27/08/210002708.db2.gz YNKBWELGPWBCQL-FQEVSTJZSA-N 1 0 374.554 3.460 40 0 FGABRO Cc1n[nH]cc1C[N@@H+]1CCC[C@H](c2nccnc2Nc2cccc(C)n2)C1 ZINC000257330153 210000251 /nfs/dbraw/zinc/00/02/51/210000251.db2.gz XNCVPIPMLAHIAV-INIZCTEOSA-N 1 0 363.469 3.335 40 0 FGABRO CCC[N@@H+]1CC[C@H](c2nc3c(c(C)n2)CC(=O)N3Cc2ccccc2)C1 ZINC000257329830 210000088 /nfs/dbraw/zinc/00/00/88/210000088.db2.gz XLSIHCFRTDACSA-KRWDZBQOSA-N 1 0 350.466 3.074 40 0 FGABRO CCOCC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[NH2+][C@H]2Cc1ccccc1 ZINC000257247643 209977166 /nfs/dbraw/zinc/97/71/66/209977166.db2.gz IZWZTTRHGVUYKD-SXFAUFNYSA-N 1 0 356.510 3.156 40 0 FGABRO CCOC(=O)c1cc(NC(=S)NCCC[NH+]2CCCC2)ccc1Cl ZINC000225434434 209811530 /nfs/dbraw/zinc/81/15/30/209811530.db2.gz HUHSGDZZAWRPLZ-UHFFFAOYSA-N 1 0 369.918 3.289 40 0 FGABRO C[C@@H]1C[NH+](C[C@@H](O)COCC(c2ccccc2)c2ccccc2)C[C@@H](C)O1 ZINC000226170439 209365102 /nfs/dbraw/zinc/36/51/02/209365102.db2.gz DKCREKPEBXMOPS-WOIUINJBSA-N 1 0 369.505 3.305 40 0 FGABRO Fc1cccc(C[NH+]2CCC3(CC2)C[C@@H](Nc2ncccn2)CCO3)c1F ZINC000108526523 209288972 /nfs/dbraw/zinc/28/89/72/209288972.db2.gz NZEVAVQZSKTUFH-INIZCTEOSA-N 1 0 374.435 3.381 40 0 FGABRO Cc1cccc(C)c1C[NH+]1CCC2(CC1)C[C@@H](NC(=O)N(C)C)CCO2 ZINC000108527161 209288215 /nfs/dbraw/zinc/28/82/15/209288215.db2.gz PFHNSFARUPDYOC-SFHVURJKSA-N 1 0 359.514 3.088 40 0 FGABRO O=C1CC2(CN1Cc1cccnc1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000108534652 209290074 /nfs/dbraw/zinc/29/00/74/209290074.db2.gz KFLYGUHOWRCYKB-UHFFFAOYSA-N 1 0 353.441 3.235 40 0 FGABRO CN1CCN(C(=O)CC2CCC3(CC[NH2+]CC3)CC2)[C@H](c2ccccc2)C1 ZINC000096268212 209147291 /nfs/dbraw/zinc/14/72/91/209147291.db2.gz DPCGROMKFAFCSX-NRFANRHFSA-N 1 0 369.553 3.452 40 0 FGABRO Fc1ccc(C[N@@H+]2CCC(F)(F)[C@]3(CCN(c4ncccn4)C3)C2)cc1 ZINC000096239709 209141572 /nfs/dbraw/zinc/14/15/72/209141572.db2.gz AWJKBXDLRRSPMW-GOSISDBHSA-N 1 0 362.399 3.353 40 0 FGABRO O=C(CC1CC1)N[C@H]1COCCC12CC[NH+](CCc1ccccc1)CC2 ZINC000096216685 209135841 /nfs/dbraw/zinc/13/58/41/209135841.db2.gz WIEKPTDTDWPABP-FQEVSTJZSA-N 1 0 356.510 3.017 40 0 FGABRO Cc1ccc(C[NH+]2CCC3(CCOC[C@H]3COc3cnccn3)CC2)o1 ZINC000096218392 209137768 /nfs/dbraw/zinc/13/77/68/209137768.db2.gz PGWZKABMSPYWLF-KRWDZBQOSA-N 1 0 357.454 3.076 40 0 FGABRO O=C(N[C@@H]1COC2(C1)CC[NH+](Cc1cccs1)CC2)c1cccs1 ZINC000096221216 209137553 /nfs/dbraw/zinc/13/75/53/209137553.db2.gz AMEJWOHRNZDBEA-AWEZNQCLSA-N 1 0 362.520 3.363 40 0 FGABRO O=C(c1cscn1)N1CCC2(CC1)CC[NH+](Cc1ccncc1)CC2 ZINC000096158435 209127632 /nfs/dbraw/zinc/12/76/32/209127632.db2.gz OVZAPMZGFKPOTE-UHFFFAOYSA-N 1 0 356.495 3.057 40 0 FGABRO CN(C)C(=O)C[C@H]1CC2(CC[NH+](C[C@@H]3CCOC3)CC2)c2ccccc21 ZINC000096161234 209128070 /nfs/dbraw/zinc/12/80/70/209128070.db2.gz QWAHALJEOWKBDK-ROUUACIJSA-N 1 0 356.510 3.022 40 0 FGABRO CCOC(=O)[C@@H]1C(c2ccccc2Cl)[C@H](C(=O)OCC)[C@H](C)[NH2+][C@@H]1C ZINC000005328091 207095033 /nfs/dbraw/zinc/09/50/33/207095033.db2.gz NEWAJILYNWSANI-PZRRSQMKSA-N 1 0 367.873 3.162 40 0 FGABRO CC(=O)NC1(c2ccccc2F)CC[NH+](C[C@H](O)c2ccc(C)cc2)CC1 ZINC000012188310 207346974 /nfs/dbraw/zinc/34/69/74/207346974.db2.gz YKLUFHYNJYZTED-NRFANRHFSA-N 1 0 370.468 3.295 40 0 FGABRO C[C@@H](C(=O)N1CCC(c2nc3ccccc3cc2N)CC1)[NH+]1CCCCC1 ZINC000012087810 207336717 /nfs/dbraw/zinc/33/67/17/207336717.db2.gz HEGHOCZGFYDIJZ-INIZCTEOSA-N 1 0 366.509 3.397 40 0 FGABRO Nc1cc2ccccc2nc1C1CCN(C(=O)CC[NH+]2CCCC2)CC1 ZINC000012087816 207336723 /nfs/dbraw/zinc/33/67/23/207336723.db2.gz GWQNHULUVWTMJK-UHFFFAOYSA-N 1 0 352.482 3.009 40 0 FGABRO CC(=O)N1Cc2ccccc2O[C@@H]([C@@H]2CCC[N@H+](Cc3ccncc3)C2)C1 ZINC000012135401 207340696 /nfs/dbraw/zinc/34/06/96/207340696.db2.gz XITMNRCWFXXLED-DENIHFKCSA-N 1 0 365.477 3.103 40 0 FGABRO COc1ccccc1C1(O)CC[NH+](Cc2ccccc2-n2cccn2)CC1 ZINC000012328808 207364247 /nfs/dbraw/zinc/36/42/47/207364247.db2.gz BHPYHOCJLHNBPO-UHFFFAOYSA-N 1 0 363.461 3.365 40 0 FGABRO O=C(CCc1ccc2c(c1)OCO2)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000024617700 207870442 /nfs/dbraw/zinc/87/04/42/207870442.db2.gz BSSRZYWDCVJUOZ-UHFFFAOYSA-N 1 0 366.461 3.260 40 0 FGABRO COc1ccccc1[C@@]1(O)CCC[N@H+](C[C@H](O)c2ccc3c(c2)CCC3)C1 ZINC000036741296 208171220 /nfs/dbraw/zinc/17/12/20/208171220.db2.gz WLTDFPCOGHSCOJ-JTHBVZDNSA-N 1 0 367.489 3.201 40 0 FGABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=S)Nc2ccc3c(c2)OCCO3)C1 ZINC000044140393 208311637 /nfs/dbraw/zinc/31/16/37/208311637.db2.gz GVBQFWFIFTYLCY-GASCZTMLSA-N 1 0 363.527 3.112 40 0 FGABRO COc1ccc(OC[C@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000044908683 208321811 /nfs/dbraw/zinc/32/18/11/208321811.db2.gz WHLKRSGBYPZJPA-KRWDZBQOSA-N 1 0 368.477 3.488 40 0 FGABRO Cc1nccn1Cc1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000044907940 208322895 /nfs/dbraw/zinc/32/28/95/208322895.db2.gz AIBUUHOXMZCKQJ-UHFFFAOYSA-N 1 0 354.498 3.236 40 0 FGABRO O=C(C[C@H]1CC2(CC[NH+](CC3CC3)CC2)c2ccccc21)N1CCOCC1 ZINC000096052844 209101723 /nfs/dbraw/zinc/10/17/23/209101723.db2.gz UUZNCSBUISLJRD-IBGZPJMESA-N 1 0 368.521 3.166 40 0 FGABRO Cc1ncsc1C[N@@H+]1CC[C@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC000096040434 209097613 /nfs/dbraw/zinc/09/76/13/209097613.db2.gz FUZLGEQDECGAAJ-IEBWSBKVSA-N 1 0 359.495 3.297 40 0 FGABRO CCNc1nc(N2CCc3ccc(OC(F)(F)F)cc3C2)cc(CC)[nH+]1 ZINC000328964986 132371821 /nfs/dbraw/zinc/37/18/21/132371821.db2.gz CACOWOAYBDXVIN-UHFFFAOYSA-N 1 0 366.387 3.354 40 0 FGABRO CC[NH+]1CCN(c2ncc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3)n2)CC1 ZINC000012221236 132854646 /nfs/dbraw/zinc/85/46/46/132854646.db2.gz ULZQTOKVIRGZQH-UHFFFAOYSA-N 1 0 368.872 3.329 40 0 FGABRO Cc1ccccc1N1CC[NH+](C[C@H](O)c2ccc3c(c2)C[C@@H](C)O3)CC1 ZINC000057823063 136130152 /nfs/dbraw/zinc/13/01/52/136130152.db2.gz IMNOYRGGLCBYRV-UTKZUKDTSA-N 1 0 352.478 3.174 40 0 FGABRO COc1ccccc1C[NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000057711897 493789757 /nfs/dbraw/zinc/78/97/57/493789757.db2.gz VMECWZOQYFPLST-UHFFFAOYSA-N 1 0 352.478 3.266 40 0 FGABRO COCCOc1ccc(C[N@H+]2C[C@@H]3C(c4cccc(C)c4)=NO[C@@H]3C2)cc1 ZINC000072343244 494155114 /nfs/dbraw/zinc/15/51/14/494155114.db2.gz ZJGKHUBLIFQSFF-LEWJYISDSA-N 1 0 366.461 3.255 40 0 FGABRO Nc1cc(-c2c[nH]nc2[C@H]2CC[N@H+](CCOCc3ccccc3)C2)ccn1 ZINC000072370833 494160044 /nfs/dbraw/zinc/16/00/44/494160044.db2.gz OGRUSMPENHMUHG-SFHVURJKSA-N 1 0 363.465 3.060 40 0 FGABRO O=c1cc([C@@H]2CCC[N@H+](Cc3cccs3)C2)nc(-c2cccnc2)[nH]1 ZINC000072393046 494163299 /nfs/dbraw/zinc/16/32/99/494163299.db2.gz URPDTQOSZZEGMY-OAHLLOKOSA-N 1 0 352.463 3.273 40 0 FGABRO COc1ccc(C2(O)C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cnc(SC)nc2)cc1 ZINC000012238095 494216079 /nfs/dbraw/zinc/21/60/79/494216079.db2.gz PVEFBJVHUUDLAI-XEWABKELSA-N 1 0 371.506 3.222 40 0 FGABRO Clc1ccc(C[N@H+](CCCN2CCOCC2)Cc2cccnc2)cc1 ZINC000013569037 494289531 /nfs/dbraw/zinc/28/95/31/494289531.db2.gz PLFLEDZRTGJCMT-UHFFFAOYSA-N 1 0 359.901 3.460 40 0 FGABRO COc1ccc(C[NH+]2CCC([C@@H](NC(C)=O)c3ccccn3)CC2)cc1 ZINC000019020511 494434687 /nfs/dbraw/zinc/43/46/87/494434687.db2.gz DLBCEYCFMJYFKZ-OAQYLSRUSA-N 1 0 353.466 3.180 40 0 FGABRO CC(=O)Nc1ccc(CN2Cc3cc(C)ccc3OC[C@H]2C[NH+](C)C)cc1 ZINC000019219374 494438112 /nfs/dbraw/zinc/43/81/12/494438112.db2.gz OZLHAKFNBCQFBZ-OAQYLSRUSA-N 1 0 367.493 3.278 40 0 FGABRO COc1ccccc1N1CC[NH+](C[C@@H](O)c2cn(C)c3ccccc23)CC1 ZINC000019290389 494440875 /nfs/dbraw/zinc/44/08/75/494440875.db2.gz UNZPBZBQTVMPHY-OAQYLSRUSA-N 1 0 365.477 3.043 40 0 FGABRO c1cnc2ccc(C[NH+]3CCC(c4nnc(-c5cnccn5)o4)CC3)cc2c1 ZINC000019347009 494442169 /nfs/dbraw/zinc/44/21/69/494442169.db2.gz CMVHAVTYUKNTOK-UHFFFAOYSA-N 1 0 372.432 3.454 40 0 FGABRO C[C@@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000019575270 494451273 /nfs/dbraw/zinc/45/12/73/494451273.db2.gz ZIENODVQWPXTOT-VHDGCEQUSA-N 1 0 364.848 3.378 40 0 FGABRO Cc1ccccc1OC1CC[NH+](Cc2ccc3c(c2)n(C)c(=O)n3C)CC1 ZINC000019657753 494453792 /nfs/dbraw/zinc/45/37/92/494453792.db2.gz NJMJSCXNCUMTMF-UHFFFAOYSA-N 1 0 365.477 3.229 40 0 FGABRO Cn1cc(C[N@@H+]2CC[C@H](c3cc(COc4ccc(Cl)cc4)[nH]n3)C2)cn1 ZINC000019704720 494454568 /nfs/dbraw/zinc/45/45/68/494454568.db2.gz PYILHLJDZOYJJY-HNNXBMFYSA-N 1 0 371.872 3.365 40 0 FGABRO CCc1ncc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@H]3NC(=O)CCCC[C@H]32)cn1 ZINC000019712626 494456318 /nfs/dbraw/zinc/45/63/18/494456318.db2.gz IBKAIHNEQBCWCC-JQVVWYNYSA-N 1 0 364.493 3.066 40 0 FGABRO C[C@@H]1CCCN(c2nc(C3CC[NH+](Cc4cccnc4)CC3)cc(=O)[nH]2)C1 ZINC000019717514 494457429 /nfs/dbraw/zinc/45/74/29/494457429.db2.gz YNAOFVRBXGGCHF-MRXNPFEDSA-N 1 0 367.497 3.193 40 0 FGABRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc4nsnc4c3)cc2)CC1 ZINC000057314138 494712363 /nfs/dbraw/zinc/71/23/63/494712363.db2.gz JRRVXYYNAZYHQE-UHFFFAOYSA-N 1 0 367.478 3.086 40 0 FGABRO CC[NH+](CC)C[C@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O ZINC000096296014 495010009 /nfs/dbraw/zinc/01/00/09/495010009.db2.gz JEHHSBMABMVSQZ-CMKODMSKSA-N 1 0 362.445 3.274 40 0 biogenic,in-vitro FGABRO COc1ccccc1[C@]1(O)CCC[N@H+](C[C@H](O)c2ccc(C)c(C)c2)C1 ZINC000248151003 496964368 /nfs/dbraw/zinc/96/43/68/496964368.db2.gz JTCGSYDFKVFFNL-UNMCSNQZSA-N 1 0 355.478 3.329 40 0 FGABRO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](C[C@H]2CCOC2)C1 ZINC000248204403 496973272 /nfs/dbraw/zinc/97/32/72/496973272.db2.gz ACSOWUPGCPNIGC-AOIWGVFYSA-N 1 0 359.514 3.034 40 0 FGABRO COc1ccc(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1C ZINC000224516729 497050023 /nfs/dbraw/zinc/05/00/23/497050023.db2.gz LDWQBIIRVFYVSH-UHFFFAOYSA-N 1 0 352.478 3.458 40 0 FGABRO COc1ccc(NC(=S)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(OC)c1 ZINC000225727363 497072751 /nfs/dbraw/zinc/07/27/51/497072751.db2.gz NKNYGQSSWWINEY-HUUCEWRRSA-N 1 0 365.543 3.358 40 0 FGABRO c1cncc(OCC[C@H]2CCOC23CC[NH+](CC2CCOCC2)CC3)c1 ZINC000253478760 497335298 /nfs/dbraw/zinc/33/52/98/497335298.db2.gz MZLFOHLTQXWTJH-IBGZPJMESA-N 1 0 360.498 3.148 40 0 FGABRO CC1(C)[C@H](OC[C@H](O)C[N@H+](CCO)Cc2ccccc2)[C@]2(C)CC[C@H]1C2 ZINC000245253814 497377614 /nfs/dbraw/zinc/37/76/14/497377614.db2.gz GLAIIEFQDDCTQE-CUXKYVRBSA-N 1 0 361.526 3.073 40 0 FGABRO Cc1cc(CC[C@@H]2CN(CCCOc3ccccc3F)CCO2)ncn1 ZINC000257200328 497389081 /nfs/dbraw/zinc/38/90/81/497389081.db2.gz ACWVLZJJGURPEC-GOSISDBHSA-N 1 0 359.445 3.027 40 0 FGABRO Cc1cnc([C@H]2CCCN(C(=O)CC[N@@H+](C)Cc3ccccn3)C2)s1 ZINC000257202418 497390139 /nfs/dbraw/zinc/39/01/39/497390139.db2.gz ALRXSAVBYZESGB-INIZCTEOSA-N 1 0 358.511 3.075 40 0 FGABRO COCC(=O)N1CCC[C@@H](c2cc(Nc3cccc(OC)c3)cc(C)[nH+]2)C1 ZINC000257213666 497392367 /nfs/dbraw/zinc/39/23/67/497392367.db2.gz CIPODUQYFLWTIE-MRXNPFEDSA-N 1 0 369.465 3.495 40 0 FGABRO COc1cccc(C(=O)N[C@H](c2ccccn2)[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000257217848 497392452 /nfs/dbraw/zinc/39/24/52/497392452.db2.gz DAWFYTSCWRHPQS-FTRWYGJKSA-N 1 0 353.466 3.326 40 0 FGABRO Cc1noc(C)c1-c1cc(C[C@@H]2CC[N@H+](Cc3ncccc3F)C2)ncn1 ZINC000257234078 497393487 /nfs/dbraw/zinc/39/34/87/497393487.db2.gz GRZPEQQJXNISLB-HNNXBMFYSA-N 1 0 367.428 3.347 40 0 FGABRO Cc1ncsc1C[N@@H+]1CCC[C@H](c2cc(-c3ncc[nH]3)nc(C)n2)C1 ZINC000257234604 497393888 /nfs/dbraw/zinc/39/38/88/497393888.db2.gz GUIGLSKTJKIMTB-AWEZNQCLSA-N 1 0 354.483 3.320 40 0 FGABRO COc1ccc(Oc2nccnc2C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000257242192 497394626 /nfs/dbraw/zinc/39/46/26/497394626.db2.gz IBLXPVJWAVARLR-INIZCTEOSA-N 1 0 355.438 3.246 40 0 FGABRO Cc1nc(Nc2nccnc2C2CCN(Cc3ncc[nH]3)CC2)sc1C ZINC000257273546 497397719 /nfs/dbraw/zinc/39/77/19/497397719.db2.gz NHCASGUXPSDLFX-UHFFFAOYSA-N 1 0 369.498 3.396 40 0 FGABRO C[NH+]1CCC(c2cccc(N3C(=O)OC[C@H]3Cc3ccccc3)n2)CC1 ZINC000257290340 497399418 /nfs/dbraw/zinc/39/94/18/497399418.db2.gz QCNVGUUJGVFPSU-GOSISDBHSA-N 1 0 351.450 3.459 40 0 FGABRO Fc1ccc(C[N@@H+]2CC[C@H](c3ccnc(Nc4cnccn4)n3)C2)cc1 ZINC000257315340 497402772 /nfs/dbraw/zinc/40/27/72/497402772.db2.gz VAWQXYURIQXDJO-HNNXBMFYSA-N 1 0 350.401 3.139 40 0 FGABRO C[NH+](C)CCn1ccc(-c2nc(C(=O)NC3CCCC3)c3ccccn32)c1 ZINC000306124119 498736622 /nfs/dbraw/zinc/73/66/22/498736622.db2.gz BGNJNPKLNHYTJW-UHFFFAOYSA-N 1 0 365.481 3.037 40 0 FGABRO COc1ccc(-c2cnc3n2C[C@H]2C[N@@H+](Cc4ccccn4)C[C@H]2C3)cc1 ZINC000306126257 498737054 /nfs/dbraw/zinc/73/70/54/498737054.db2.gz DQYZLQZDJUSFPC-QZTJIDSGSA-N 1 0 360.461 3.258 40 0 FGABRO CN1CCC[C@H]1c1nc(C(=O)NCc2ccc(F)cc2)c2ccccn21 ZINC000306124878 498737090 /nfs/dbraw/zinc/73/70/90/498737090.db2.gz CBFMWKVQOLLGOH-KRWDZBQOSA-N 1 0 352.413 3.170 40 0 FGABRO Fc1cccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4ccncc4)C2)OC3)c1 ZINC000306140316 498741480 /nfs/dbraw/zinc/74/14/80/498741480.db2.gz UPONHGFWEDATPR-OAQYLSRUSA-N 1 0 364.424 3.259 40 0 FGABRO c1cncc(C[N@@H+]2CC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 ZINC000306144076 498742851 /nfs/dbraw/zinc/74/28/51/498742851.db2.gz YVOUIPPHRBSXTM-IBGZPJMESA-N 1 0 356.433 3.176 40 0 FGABRO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000333330153 498981137 /nfs/dbraw/zinc/98/11/37/498981137.db2.gz WBOVMJQNKKNZCX-HBUWYVDXSA-N 1 0 356.445 3.095 40 0 FGABRO Cc1ccc(Nc2cc(C3CC3)nc(NCCC[NH+](C)C)n2)c(Cl)c1 ZINC000329021791 499016876 /nfs/dbraw/zinc/01/68/76/499016876.db2.gz OJXYOGWZRICROM-UHFFFAOYSA-N 1 0 359.905 3.267 40 0 FGABRO CC(C)C[N@@H+]1CC[C@@]12CCCN(C(=O)c1ccc(NC(=O)C3CC3)cc1)C2 ZINC000585102323 507568312 /nfs/dbraw/zinc/56/83/12/507568312.db2.gz XCGQKYAWIVCLAF-JOCHJYFZSA-N 1 0 369.509 3.372 40 0 FGABRO C[N@@H+]1CC[C@H](COCc2ccncc2)CC12CN(Cc1ccsc1)C2 ZINC000585103060 507568721 /nfs/dbraw/zinc/56/87/21/507568721.db2.gz OQTSJAVNORJEKB-SFHVURJKSA-N 1 0 357.523 3.256 40 0 FGABRO O=C(c1cc(Cl)ccc1F)N1CCC[C@]2(CC[N@@H+]2C[C@H]2CCCO2)C1 ZINC000585101829 507568813 /nfs/dbraw/zinc/56/88/13/507568813.db2.gz IKFISZCAJDJKJL-BEFAXECRSA-N 1 0 366.864 3.339 40 0 FGABRO C[C@H](c1ccccc1)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccccc1)C2 ZINC000585105035 507569889 /nfs/dbraw/zinc/56/98/89/507569889.db2.gz YWLPSBFEKCPUKP-XXBNENTESA-N 1 0 364.489 3.499 40 0 FGABRO C[C@H]1CCC[N@H+](C[C@H]2CC3(CO2)CCN(C(=O)c2ccccc2)CC3)C1 ZINC000585104196 507571212 /nfs/dbraw/zinc/57/12/12/507571212.db2.gz MONDMLSWEQFHRZ-AZUAARDMSA-N 1 0 356.510 3.430 40 0 FGABRO Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](C[N@@H+]2CC2CCCCC2)C1 ZINC000585107965 507574157 /nfs/dbraw/zinc/57/41/57/507574157.db2.gz NGENNOOBWPBCDV-RBUKOAKNSA-N 1 0 362.539 3.270 40 0 FGABRO Cc1ccc(OC[C@H](O)C[NH2+]Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 ZINC000585283262 507583535 /nfs/dbraw/zinc/58/35/35/507583535.db2.gz DTFWSEVZRHFHOS-LJQANCHMSA-N 1 0 366.461 3.395 40 0 FGABRO CC(C)N1CC[NH+]([C@H]2CCC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)CC1 ZINC000585289157 507585933 /nfs/dbraw/zinc/58/59/33/507585933.db2.gz FKHPJKIQOWAQFV-IPMKNSEASA-N 1 0 352.906 3.027 40 0 FGABRO Cc1ccc2cc(C[NH2+]C[C@@H](O)COc3ccc(Cl)cc3)c(=O)[nH]c2c1 ZINC000585285781 507587115 /nfs/dbraw/zinc/58/71/15/507587115.db2.gz TXRMMSZQVKFYSI-QGZVFWFLSA-N 1 0 372.852 3.432 40 0 FGABRO CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000020105309 523052192 /nfs/dbraw/zinc/05/21/92/523052192.db2.gz RGPWJQRNVGIHFY-MBOZVWFJSA-N 1 0 362.514 3.337 40 0 FGABRO COc1ccc(SCC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000020036508 525101111 /nfs/dbraw/zinc/10/11/11/525101111.db2.gz YIVHIUJCXMJDAO-IYBDPMFKSA-N 1 0 350.528 3.272 40 0 FGABRO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@@H](O)C[NH+]1CCN(c2ccccc2)CC1 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Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@H+](C2CCOCC2)C1 ZINC000008296295 494082203 /nfs/dbraw/zinc/08/22/03/494082203.db2.gz VKZNKGNJGJBKAL-ZWKOTPCHSA-N 1 0 364.489 3.422 40 0 biogenic,in-vitro FGABRO CN(C)C(=O)C[N@@H+]1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1 ZINC000072349528 494155727 /nfs/dbraw/zinc/15/57/27/494155727.db2.gz NGNFHDIKDRSYPL-KRWDZBQOSA-N 1 0 355.457 3.079 40 0 FGABRO C[NH+](C)CC(=O)N1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1 ZINC000072350123 494155810 /nfs/dbraw/zinc/15/58/10/494155810.db2.gz BQKKQHKHIVJCIV-QGZVFWFLSA-N 1 0 355.457 3.079 40 0 FGABRO Cc1cccc(Cc2cccc([C@@H]3CCCN(C(=O)C[NH+](C)C)C3)n2)c1 ZINC000072350117 494155894 /nfs/dbraw/zinc/15/58/94/494155894.db2.gz WLIRIMDEJDTVFY-LJQANCHMSA-N 1 0 351.494 3.248 40 0 FGABRO CN(CCO)C(=O)c1cc([C@@H]2CC[N@@H+](C3CCCC3)C2)nc2ccccc21 ZINC000072352656 494156122 /nfs/dbraw/zinc/15/61/22/494156122.db2.gz FSFHYOOISHEYOS-MRXNPFEDSA-N 1 0 367.493 3.031 40 0 FGABRO CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2c(=O)[nH]c(C)nc2C3)cc1OC 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QODWZSKJILONGU-KALSDKHNSA-N 1 0 364.489 3.443 40 0 FGABRO Cc1ccccc1[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1c1csnn1 ZINC000019237424 494440042 /nfs/dbraw/zinc/44/00/42/494440042.db2.gz RNXVACATNNYYNM-ZWKOTPCHSA-N 1 0 370.522 3.042 40 0 FGABRO CCC1=C(c2ccccc2)[N+](=O)[C@@](C)(c2ccc(OC)c(OC)c2)N1O ZINC000019331628 494441787 /nfs/dbraw/zinc/44/17/87/494441787.db2.gz CFTDXUJICLWBLK-FQEVSTJZSA-N 1 0 354.406 3.251 40 0 FGABRO CC[NH+]1CCN(Cc2c3cccnc3[nH]c2-c2ccc(OC)cc2)CC1 ZINC000019528211 494447464 /nfs/dbraw/zinc/44/74/64/494447464.db2.gz KDEUPMZCJWSYCI-UHFFFAOYSA-N 1 0 350.466 3.376 40 0 FGABRO COc1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2Cc2ccccc2)ccc1O ZINC000019550095 494448504 /nfs/dbraw/zinc/44/85/04/494448504.db2.gz HGDQBJWEIVWYPB-PMACEKPBSA-N 1 0 352.478 3.292 40 0 FGABRO Cc1c(C[NH2+][C@H](C)c2cc(=O)[nH]c(-c3ccncc3)n2)[nH]c2ccccc12 ZINC000019565949 494450249 /nfs/dbraw/zinc/45/02/49/494450249.db2.gz OROKKRYOSZGIIW-CQSZACIVSA-N 1 0 359.433 3.472 40 0 FGABRO O=C(Cc1ccc2[nH]cnc2c1)NC[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000019654719 494452701 /nfs/dbraw/zinc/45/27/01/494452701.db2.gz KCCHJJKPJPKPIH-NRFANRHFSA-N 1 0 362.477 3.449 40 0 FGABRO COc1ccc2[nH]c(CN(CC[NH+](C)C)Cc3ccccn3)c(C)c2c1 ZINC000022913961 494542501 /nfs/dbraw/zinc/54/25/01/494542501.db2.gz YKBSGGAFOQYMCO-UHFFFAOYSA-N 1 0 352.482 3.444 40 0 FGABRO C[NH+]1CCC(CCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000173088478 496544823 /nfs/dbraw/zinc/54/48/23/496544823.db2.gz VUNIDERRHQNBQE-UHFFFAOYSA-N 1 0 365.326 3.145 40 0 FGABRO O=C(Cc1cccs1)N1Cc2ccnn2C[C@H](CC[NH+]2CCCCC2)C1 ZINC000247862470 496922128 /nfs/dbraw/zinc/92/21/28/496922128.db2.gz NCYPHDFDRSCSEC-QGZVFWFLSA-N 1 0 372.538 3.022 40 0 FGABRO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@](O)(c4ccc(F)cc4)[C@H]3C2)cc1O ZINC000247871509 496923451 /nfs/dbraw/zinc/92/34/51/496923451.db2.gz DRWDJBPALHWASJ-XERREHJYSA-N 1 0 357.425 3.270 40 0 FGABRO COC[C@@H]1C[N@H+](Cc2ccsc2)CC12CCN(C(=O)c1ccco1)CC2 ZINC000247899678 496926312 /nfs/dbraw/zinc/92/63/12/496926312.db2.gz VRMIOOOUCDODEG-KRWDZBQOSA-N 1 0 374.506 3.342 40 0 FGABRO CC(=O)N1C[C@H](COCC2CC2)C2(C1)CC[NH+](Cc1ccccc1F)CC2 ZINC000247945336 496930204 /nfs/dbraw/zinc/93/02/04/496930204.db2.gz OOPQLEZYZSVYJZ-HXUWFJFHSA-N 1 0 374.500 3.313 40 0 FGABRO Cc1nc2ccccc2n1[C@@H](C)C(=O)N1CCN(C)C[C@H]1c1ccccc1 ZINC000248082618 496953057 /nfs/dbraw/zinc/95/30/57/496953057.db2.gz AQLZRZVJOJXQQV-KKSFZXQISA-N 1 0 362.477 3.421 40 0 FGABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@@H]([NH3+])[C@@H]2c2ccc(Br)cc2)cc1 ZINC000218232840 497001449 /nfs/dbraw/zinc/00/14/49/497001449.db2.gz WZSVTYVQNACFCI-JYJNAYRXSA-N 1 0 366.280 3.025 40 0 FGABRO CC(C)[NH+]1CCC(O)(c2csc(CN3CCc4ccccc4C3)n2)CC1 ZINC000225474098 497063668 /nfs/dbraw/zinc/06/36/68/497063668.db2.gz CXPSIMFCHVRHFK-UHFFFAOYSA-N 1 0 371.550 3.393 40 0 biogenic,in-vitro FGABRO COc1cccc(OC)c1CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000225900966 497078377 /nfs/dbraw/zinc/07/83/77/497078377.db2.gz AUCUMCUVONHNJO-SFHVURJKSA-N 1 0 368.477 3.232 40 0 FGABRO CCOc1ccc(-c2cc(C(=O)N3CCC[C@]4(C)[NH2+]CCC[C@@H]34)[nH]n2)cc1 ZINC000257210293 497390888 /nfs/dbraw/zinc/39/08/88/497390888.db2.gz BTZLLFARBGEHIK-CTNGQTDRSA-N 1 0 368.481 3.222 40 0 FGABRO Cc1ccc(NC(=O)c2cccc([C@@H]3CCCN3Cc3cc[nH]n3)n2)nc1 ZINC000257218903 497392493 /nfs/dbraw/zinc/39/24/93/497392493.db2.gz DEUSVPXFAANOMV-SFHVURJKSA-N 1 0 362.437 3.098 40 0 FGABRO COCCC(=O)N1[C@H](Cc2ccccc2)C[C@@]2(C)[C@@H]1CCCCC[N@@H+]2C ZINC000257238369 497393535 /nfs/dbraw/zinc/39/35/35/497393535.db2.gz HKRNIGFHYPKUHT-URVUXULASA-N 1 0 358.526 3.500 40 0 FGABRO C[C@@]12C[C@H]3CN(C(=O)COc4ccc(F)c(Cl)c4)[C@@H]1CCCC[C@@H]2[NH2+]3 ZINC000257226324 497393592 /nfs/dbraw/zinc/39/35/92/497393592.db2.gz FKENQJFERYRPJJ-CTSOBWNQSA-N 1 0 366.864 3.380 40 0 FGABRO CCn1cc(C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)cn1 ZINC000257242188 497395040 /nfs/dbraw/zinc/39/50/40/497395040.db2.gz IBLKFPARHFWBKC-SFTDATJTSA-N 1 0 355.482 3.243 40 0 FGABRO Cc1nccc(C[N@@H+]2CC[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)n1 ZINC000257263820 497396904 /nfs/dbraw/zinc/39/69/04/497396904.db2.gz LRPMEINPLLQAKK-SFTDATJTSA-N 1 0 353.466 3.125 40 0 FGABRO C[N@@H+]1CCN(C(=O)CC2CCCC2)C[C@@H](Cc2ccnc3cccnc23)C1 ZINC000257273209 497397693 /nfs/dbraw/zinc/39/76/93/497397693.db2.gz NFRVJIGDNMBSDS-SFHVURJKSA-N 1 0 366.509 3.143 40 0 FGABRO CNc1nc(C2(C)CCN(C(=O)c3cccnc3)CC2)c2sccn12 ZINC000257301079 497400803 /nfs/dbraw/zinc/40/08/03/497400803.db2.gz RWXBHICKBWXYOU-UHFFFAOYSA-N 1 0 355.467 3.026 40 0 FGABRO C[C@]1(c2ncc(Cc3cccc(F)c3)o2)CCCN1C(=O)C[NH+]1CCCC1 ZINC000257324747 497403752 /nfs/dbraw/zinc/40/37/52/497403752.db2.gz WPZDBWGKFNOBOI-OAQYLSRUSA-N 1 0 371.456 3.338 40 0 FGABRO Cn1cc2c(n1)[C@@]1(CC[N@H+](Cc3ccccc3)C1)CN(Cc1ccoc1)C2 ZINC000306125331 498736310 /nfs/dbraw/zinc/73/63/10/498736310.db2.gz CMROMPQVBBXNJS-JOCHJYFZSA-N 1 0 362.477 3.173 40 0 FGABRO C[N@@H+]1CC[C@@H](COCc2ccccn2)CC12CN(C(=O)C1=CCCCC1)C2 ZINC000306134808 498740441 /nfs/dbraw/zinc/74/04/41/498740441.db2.gz NYPGYONLENBYMS-GOSISDBHSA-N 1 0 369.509 3.021 40 0 FGABRO c1ncn2c1CN(Cc1ccc3ccccc3n1)C[C@@H]2C[NH+]1CCCCC1 ZINC000306134106 498740602 /nfs/dbraw/zinc/74/06/02/498740602.db2.gz NDRCEOHGGVDFPH-NRFANRHFSA-N 1 0 361.493 3.474 40 0 FGABRO c1csc(-c2cnc3n2C[C@]2(CC[N@@H+](Cc4ccncc4)C2)OC3)c1 ZINC000306141339 498742015 /nfs/dbraw/zinc/74/20/15/498742015.db2.gz VSQJAYIGROXWEH-LJQANCHMSA-N 1 0 352.463 3.182 40 0 FGABRO C[NH+](C)CCCNc1nc(Nc2ccccc2Cl)cc(C(F)(F)F)n1 ZINC000329061837 499030288 /nfs/dbraw/zinc/03/02/88/499030288.db2.gz WUWMTNBAXCUACW-UHFFFAOYSA-N 1 0 373.810 3.100 40 0 FGABRO Fc1cccnc1OCC[C@@H]1Cn2cccc2C[N@@H+](C2CCOCC2)C1 ZINC000585095252 507566117 /nfs/dbraw/zinc/56/61/17/507566117.db2.gz JXAFGNDZRRJAAD-MRXNPFEDSA-N 1 0 359.445 3.102 40 0 FGABRO Cc1noc(C)c1CN1C(=O)CC[C@@]12CCC[N@H+](Cc1cccnc1)CC2 ZINC000585099888 507566388 /nfs/dbraw/zinc/56/63/88/507566388.db2.gz QQJDMHHNCJLYID-OAQYLSRUSA-N 1 0 368.481 3.234 40 0 FGABRO COCC[N@@H+]1CCC[C@]12CCCN(C(=O)Cc1cc(F)cc(F)c1)CC2 ZINC000585100600 507567481 /nfs/dbraw/zinc/56/74/81/507567481.db2.gz PGKRURDFYAAVCK-FQEVSTJZSA-N 1 0 366.452 3.001 40 0 FGABRO Cc1ccc(C(=O)N2CCC3(CO[C@H](C[NH+]4CCCC4)C3)CC2)cc1F ZINC000585105504 507572383 /nfs/dbraw/zinc/57/23/83/507572383.db2.gz YFZUWJYNGMONGQ-SFHVURJKSA-N 1 0 360.473 3.241 40 0 FGABRO Cc1cc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]32)no1 ZINC000585109603 507574099 /nfs/dbraw/zinc/57/40/99/507574099.db2.gz CWUSJAXQERWJQR-IRFCIJBXSA-N 1 0 374.444 3.078 40 0 FGABRO OC1(COc2ccccc2F)CC[NH+](Cc2ccc3[nH]cnc3c2)CC1 ZINC000585271152 507582659 /nfs/dbraw/zinc/58/26/59/507582659.db2.gz RXFLSDIVHWNCJH-UHFFFAOYSA-N 1 0 355.413 3.108 40 0 FGABRO CC1(C)CCC([N@@H+]2CCOC[C@](O)(COc3ccc(F)cc3)C2)CC1 ZINC000585282689 507583974 /nfs/dbraw/zinc/58/39/74/507583974.db2.gz MTNMVIQBOJEOEO-FQEVSTJZSA-N 1 0 351.462 3.237 40 0 FGABRO CO[C@@H]1CC[N@H+](Cc2c[nH]c3ccccc23)C[C@H]1CC(=O)N1CCCC1 ZINC000585277878 507584271 /nfs/dbraw/zinc/58/42/71/507584271.db2.gz XDCNJXRHCMQZHS-OXQOHEQNSA-N 1 0 355.482 3.017 40 0 FGABRO COc1cccc(CC[NH2+][C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)c1 ZINC000585283757 507584844 /nfs/dbraw/zinc/58/48/44/507584844.db2.gz DIYJDHOEURKWCO-PWRODBHTSA-N 1 0 359.441 3.327 40 0 FGABRO OC[C@@H]1[C@H](O)[C@@H](c2ccc(Cl)cc2)C[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC000585293385 507586407 /nfs/dbraw/zinc/58/64/07/507586407.db2.gz WCEBGAJNDQYSMQ-ZTFGCOKTSA-N 1 0 370.251 3.454 40 0 FGABRO Cc1cccc(N2CC[NH+](C[C@@H](O)COc3ccc(Cl)cc3)CC2)c1 ZINC000019923695 524556283 /nfs/dbraw/zinc/55/62/83/524556283.db2.gz SLTABGUSYZRALD-LJQANCHMSA-N 1 0 360.885 3.210 40 0 FGABRO COc1ccc(Cl)cc1Nc1ncnc2c1cnn2C1CC[NH2+]CC1 ZINC000228934663 571278274 /nfs/dbraw/zinc/27/82/74/571278274.db2.gz QBYNHGASYUYSAG-UHFFFAOYSA-N 1 0 358.833 3.156 40 0 FGABRO C[N@@H+]1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2C(=O)c1n[nH]c2c1CCC2 ZINC000257294373 530053075 /nfs/dbraw/zinc/05/30/75/530053075.db2.gz QTUXHLKITBHMNP-SLFFLAALSA-N 1 0 364.493 3.339 40 0 FGABRO C[N@@H+]1CCN(Cc2cscn2)C[C@H](Cc2cncc3ccccc32)C1 ZINC000257341927 210004305 /nfs/dbraw/zinc/00/43/05/210004305.db2.gz ZMLWXRBRAWYOFB-MRXNPFEDSA-N 1 0 352.507 3.298 40 0 FGABRO COc1ccccc1-c1cc(C(=O)N2CCC[C@]3(C)[NH2+]CCCC[C@H]23)[nH]n1 ZINC000257295363 223054925 /nfs/dbraw/zinc/05/49/25/223054925.db2.gz QYAFVCHXEMUEFW-FPOVZHCZSA-N 1 0 368.481 3.222 40 0 FGABRO O=C1CC2(CN1Cc1cccc(F)c1)CC[NH+](Cc1ccccn1)CC2 ZINC000108532401 209288767 /nfs/dbraw/zinc/28/87/67/209288767.db2.gz YUDZAWZZFUEKAK-UHFFFAOYSA-N 1 0 353.441 3.235 40 0 FGABRO O=C(NCc1cccs1)[C@@H]1C[C@@]2(CO1)c1ccccc1C[N@H+]2CC1CC1 ZINC000107181290 209276111 /nfs/dbraw/zinc/27/61/11/209276111.db2.gz RMEJOMFJHNTONG-PZJWPPBQSA-N 1 0 368.502 3.274 40 0 FGABRO Cc1ccc2c(c1)C1(C[C@@H]2[NH+]2CCOCC2)CCN(C(=O)C2CC2)CC1 ZINC000107195455 209275766 /nfs/dbraw/zinc/27/57/66/209275766.db2.gz OKMSCCNPYGKIQO-FQEVSTJZSA-N 1 0 354.494 3.042 40 0 FGABRO Cc1cnc(N[C@@H]2CCO[C@]3(CC[N@H+](Cc4ccccc4F)C3)C2)nc1 ZINC000096209098 209135572 /nfs/dbraw/zinc/13/55/72/209135572.db2.gz RCHBNXNJIJKXEN-YLJYHZDGSA-N 1 0 356.445 3.160 40 0 FGABRO c1cnc(N2CC3(C[C@H]2COCC2CC2)CC[NH+](C2CCC2)CC3)nc1 ZINC000096217687 209137276 /nfs/dbraw/zinc/13/72/76/209137276.db2.gz GBSZSXQLAKNNNQ-IBGZPJMESA-N 1 0 356.514 3.117 40 0 FGABRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3Cc3nnc(C4CC4)o3)C2)s1 ZINC000096208458 209134935 /nfs/dbraw/zinc/13/49/35/209134935.db2.gz DIPRCCQLABEZKF-OIISXLGYSA-N 1 0 359.495 3.397 40 0 FGABRO COc1cccc(C[NH+]2CCC3(CCN(C(=O)C4CC=CC4)C3)CC2)c1 ZINC000096157614 209126238 /nfs/dbraw/zinc/12/62/38/209126238.db2.gz CXDWPOJDOWYBQJ-UHFFFAOYSA-N 1 0 354.494 3.476 40 0 FGABRO Cn1c(C(=O)NCC[NH+]2CCCC2)cc2c1c1ccccc1n2CC1CC1 ZINC000096146487 209121429 /nfs/dbraw/zinc/12/14/29/209121429.db2.gz GYCXWJJLXKRDKG-UHFFFAOYSA-N 1 0 364.493 3.369 40 0 FGABRO c1ccc(COC[C@@H]2CC3(CO2)CC[NH+](Cc2ccccn2)CC3)nc1 ZINC000096106175 209113164 /nfs/dbraw/zinc/11/31/64/209113164.db2.gz ONSJLKRUBLSOGX-FQEVSTJZSA-N 1 0 353.466 3.065 40 0 FGABRO c1csc(C[N@H+]2CCOC[C@]3(C[C@H](CNc4ccccc4)CO3)C2)c1 ZINC000096078413 209107734 /nfs/dbraw/zinc/10/77/34/209107734.db2.gz HVBNDLXQJSLXKK-XLIONFOSSA-N 1 0 358.507 3.468 40 0 FGABRO Cc1ccc(C[N@@H+]2CC[C@@]3(CCN(S(=O)(=O)Cc4ccccc4)C3)C2)o1 ZINC000096071135 209106856 /nfs/dbraw/zinc/10/68/56/209106856.db2.gz QMHAIPABCAJMTM-HXUWFJFHSA-N 1 0 374.506 3.016 40 0 FGABRO CCCC[NH2+][C@H](c1ccc2c(c1)OCO2)[C@H](O)c1ccc2c(c1)OCO2 ZINC000001667305 206892880 /nfs/dbraw/zinc/89/28/80/206892880.db2.gz HVRXOTZKIFBAIX-WOJBJXKFSA-N 1 0 357.406 3.308 40 0 FGABRO CC1(C)CC(O)CC(C)(C)[NH+]1C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000005644945 207110654 /nfs/dbraw/zinc/11/06/54/207110654.db2.gz FEDNJLVHRWIFHX-QGZVFWFLSA-N 1 0 355.906 3.231 40 0 FGABRO CC[NH+](CC)CCCNC(=S)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000035310809 207128610 /nfs/dbraw/zinc/12/86/10/207128610.db2.gz YNNAPDIPNQLMNI-MRXNPFEDSA-N 1 0 373.570 3.349 40 0 FGABRO CN(CC[NH+]1CCCCC1)C(=O)[C@](O)(c1ccccc1)C1CCCCC1 ZINC000006437481 207141080 /nfs/dbraw/zinc/14/10/80/207141080.db2.gz DKIBIYZRPUJJPU-QFIPXVFZSA-N 1 0 358.526 3.399 40 0 FGABRO CCc1c(C)nc2cc(-c3cc(C)on3)nn2c1NCC[NH+]1CCCC1 ZINC000012276312 207353354 /nfs/dbraw/zinc/35/33/54/207353354.db2.gz FOBURUYMKCFOHH-UHFFFAOYSA-N 1 0 354.458 3.071 40 0 FGABRO COc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3ccccc3)CC1)O2 ZINC000012293314 207354433 /nfs/dbraw/zinc/35/44/33/207354433.db2.gz WRNMOFLGJASCSV-WOJBJXKFSA-N 1 0 369.461 3.079 40 0 FGABRO CC(C)c1cc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+]2CCCC2)n(C)n1 ZINC000012199340 207348205 /nfs/dbraw/zinc/34/82/05/207348205.db2.gz XTTUZQSZYQICOF-IBGZPJMESA-N 1 0 358.461 3.250 40 0 FGABRO COc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2[NH2+]Cc2cnn(C)c2)cc1OC ZINC000012337872 207362329 /nfs/dbraw/zinc/36/23/29/207362329.db2.gz VHFCJZIYGQSSIT-SEONNTABSA-N 1 0 355.482 3.499 40 0 FGABRO Cc1[nH]c2ccc(C)cc2c1CC(=O)N(CC[NH+](C)C)Cc1cccnc1 ZINC000012360901 207365768 /nfs/dbraw/zinc/36/57/68/207365768.db2.gz OYVCWSLPCOCCTJ-UHFFFAOYSA-N 1 0 364.493 3.313 40 0 FGABRO CCOC(=O)C1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CC[NH+](CC)CC1 ZINC000019527040 207677012 /nfs/dbraw/zinc/67/70/12/207677012.db2.gz IGWWRNVBKRBFRR-QGZVFWFLSA-N 1 0 362.445 3.374 40 0 FGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000030865458 208006430 /nfs/dbraw/zinc/00/64/30/208006430.db2.gz GYBYJZMGMOETSD-FQEVSTJZSA-N 1 0 371.525 3.193 40 0 FGABRO Cc1ccc(C)c(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000031075460 208010901 /nfs/dbraw/zinc/01/09/01/208010901.db2.gz PSPDBIDDJLCBHJ-UHFFFAOYSA-N 1 0 358.507 3.378 40 0 FGABRO COc1ccc(-c2cc(C[C@@H]3CC[C@H](O)[C@@H](C[NH2+]CC(C)C)O3)no2)cc1 ZINC000077263336 208199631 /nfs/dbraw/zinc/19/96/31/208199631.db2.gz KHZRTVWGONVOET-IRFCIJBXSA-N 1 0 374.481 3.047 40 0 biogenic,in-vitro FGABRO CC(C)[C@H]([NH3+])C(=O)NC1CCC(N(C(=O)OC(C)(C)C)C(C)C)CC1 ZINC000079410310 208246574 /nfs/dbraw/zinc/24/65/74/208246574.db2.gz LLXDYWCPBMVTED-GPANFISMSA-N 1 0 355.523 3.043 40 0 FGABRO Cc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)s1 ZINC000096050774 209102886 /nfs/dbraw/zinc/10/28/86/209102886.db2.gz QGZWTMGSLBXNNN-HXUWFJFHSA-N 1 0 370.474 3.414 40 0 FGABRO Fc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccnc2)C3)cc1 ZINC000096049553 209103300 /nfs/dbraw/zinc/10/33/00/209103300.db2.gz NQOGOMSMSKNGOZ-NRFANRHFSA-N 1 0 355.457 3.340 40 0 FGABRO COC[C@@H]1CC2(CN1c1ncccn1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096051806 209103139 /nfs/dbraw/zinc/10/31/39/209103139.db2.gz DYZRYNJQBNHWID-IBGZPJMESA-N 1 0 370.472 3.123 40 0 FGABRO COc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(Cc4csc(C)n4)C3)C2)cc1 ZINC000096050913 209101785 /nfs/dbraw/zinc/10/17/85/209101785.db2.gz CJDWWJUYVYJTIE-HXUWFJFHSA-N 1 0 371.506 3.085 40 0 FGABRO O=C(c1cccnc1)N1CCC[C@]2(CC[N@@H+](Cc3ccc(F)cc3)C2)C1 ZINC000096047045 209100546 /nfs/dbraw/zinc/10/05/46/209100546.db2.gz WJQSWWSLLPZXDX-OAQYLSRUSA-N 1 0 353.441 3.349 40 0 FGABRO O=C1N(Cc2ccncc2)CC[C@@]12CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096048661 209100218 /nfs/dbraw/zinc/10/02/18/209100218.db2.gz ISJKJHWKKYOUPI-OAQYLSRUSA-N 1 0 353.441 3.235 40 0 FGABRO c1cncc(COC[C@]23CCCO[C@H]2CC[N@H+](Cc2cccnc2)C3)c1 ZINC000096040101 209098957 /nfs/dbraw/zinc/09/89/57/209098957.db2.gz OXJBSEONSREVAP-LEWJYISDSA-N 1 0 353.466 3.065 40 0 FGABRO Cc1noc([C@@H]2C[C@H]3OCC[C@H]3[N@H+](Cc3ccc4ccccc4n3)C2)n1 ZINC000096038930 209097370 /nfs/dbraw/zinc/09/73/70/209097370.db2.gz DCGDCDPYRBVDJO-ATZDWAIDSA-N 1 0 350.422 3.073 40 0 FGABRO COc1ccc2c(C)c3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 ZINC000001566934 493797012 /nfs/dbraw/zinc/79/70/12/493797012.db2.gz SMERZMDSMLIVHC-UHFFFAOYSA-N 1 0 350.394 3.405 40 0 FGABRO C[C@@H]1C[N@H+](C[C@@H](Cc2ccccc2)C(N)=O)CC[C@@]1(C)c1cccc(O)c1 ZINC000060124969 493914934 /nfs/dbraw/zinc/91/49/34/493914934.db2.gz XIXMDCGNWYDFMB-LYHRCORUSA-N 1 0 366.505 3.336 40 0 FGABRO CC[C@H](Oc1cccc(OC)c1)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000036107341 494088078 /nfs/dbraw/zinc/08/80/78/494088078.db2.gz RGPWJQRNVGIHFY-ZWOKBUDYSA-N 1 0 362.514 3.337 40 0 FGABRO C[C@H]1C[C@H](OC[C@H](O)C[NH+]2CCN(c3ccccc3)CC2)CC(C)(C)C1 ZINC000039931586 494123751 /nfs/dbraw/zinc/12/37/51/494123751.db2.gz KNTYPEPXUKNULI-TYPHKJRUSA-N 1 0 360.542 3.401 40 0 FGABRO Fc1cccc(C[N@@H+]2CCC[C@H](c3nnc(-c4cnccn4)o3)C2)c1F ZINC000072390057 494162681 /nfs/dbraw/zinc/16/26/81/494162681.db2.gz PJLSQXHGWFXADC-ZDUSSCGKSA-N 1 0 357.364 3.184 40 0 FGABRO CCCCc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)NCc2ccco2)no1 ZINC000015673358 494365011 /nfs/dbraw/zinc/36/50/11/494365011.db2.gz NMINBZOJYXIXEO-HOTGVXAUSA-N 1 0 359.470 3.085 40 0 biogenic,in-vitro FGABRO CC(=O)N1CCc2nc(C3CC[NH+](CC4CCCCC4)CC3)ncc2C1 ZINC000019018852 494434894 /nfs/dbraw/zinc/43/48/94/494434894.db2.gz DLQKCRKCAMLOAG-UHFFFAOYSA-N 1 0 356.514 3.141 40 0 FGABRO Cc1cnn(CCC(=O)N2CC[C@H](c3ccccc3)[C@H]3[NH2+]CCCC[C@H]32)c1 ZINC000019240003 494440063 /nfs/dbraw/zinc/44/00/63/494440063.db2.gz UUECDANRGAEIQB-KCZVDYSFSA-N 1 0 366.509 3.108 40 0 FGABRO O=C(CN1C[C@@H](c2cccc(F)c2)[C@@H]2[NH2+]CCCCC[C@H]21)N1CCCCC1 ZINC000019294305 494440814 /nfs/dbraw/zinc/44/08/14/494440814.db2.gz RBPDJNWHOUXABO-VWPQPMDRSA-N 1 0 373.516 3.138 40 0 FGABRO c1ccc(OCC[NH+]2CCC(c3nnc(-c4cccnc4)o3)CC2)cc1 ZINC000019373509 494443522 /nfs/dbraw/zinc/44/35/22/494443522.db2.gz KPZSLAKAPNRAHQ-UHFFFAOYSA-N 1 0 350.422 3.390 40 0 FGABRO CCC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@H+](Cc3cccnc3)CC[C@H]21 ZINC000019499205 494445965 /nfs/dbraw/zinc/44/59/65/494445965.db2.gz PQHHDKSXOHWKSA-NJDAHSKKSA-N 1 0 367.468 3.447 40 0 FGABRO CCC(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C1CCC(C)CC1)CC2 ZINC000019498797 494446311 /nfs/dbraw/zinc/44/63/11/494446311.db2.gz OGLYBJQRNAPTIQ-JTTJXQCZSA-N 1 0 372.513 3.193 40 0 FGABRO CCc1nc2ccccc2n1C[C@H](C)C(=O)N1CCC[C@H](C[NH+](C)C)C1 ZINC000019523268 494447184 /nfs/dbraw/zinc/44/71/84/494447184.db2.gz BUTSSRPTLWDRTJ-DLBZAZTESA-N 1 0 356.514 3.035 40 0 FGABRO COc1ccc(C[N@@H+]2CC[C@H](c3cc4ncccc4c(=O)[nH]3)C2)c(OC)c1 ZINC000019552200 494449027 /nfs/dbraw/zinc/44/90/27/494449027.db2.gz SRHVLHHZFDZOOC-AWEZNQCLSA-N 1 0 365.433 3.342 40 0 FGABRO C[N@@H+]1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)Cc1cccnc1 ZINC000019589152 494451519 /nfs/dbraw/zinc/45/15/19/494451519.db2.gz YDKSHHNVACJYKR-MQSCRBSSSA-N 1 0 363.505 3.493 40 0 FGABRO C[N@@H+]1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)CC2CCCCC2)C3)C1 ZINC000019588560 494451884 /nfs/dbraw/zinc/45/18/84/494451884.db2.gz MHICTCPSCPJGJI-QGZVFWFLSA-N 1 0 356.514 3.141 40 0 FGABRO C[N@@H+]1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)c1cc(C2CC2)on1 ZINC000019589252 494451908 /nfs/dbraw/zinc/45/19/08/494451908.db2.gz SVNMGPBHYOGELW-YVWKXTFCSA-N 1 0 369.440 3.394 40 0 FGABRO C[NH+](C)CC[C@H](NC(=O)c1cn2cc(Cl)ccc2n1)c1ccccc1 ZINC000019716754 494457361 /nfs/dbraw/zinc/45/73/61/494457361.db2.gz UYDKZFZIHIXRRQ-INIZCTEOSA-N 1 0 356.857 3.411 40 0 FGABRO Cc1nn(C)c(C)c1CN(C)C(=O)CC1CC[NH+](C2CCCCC2)CC1 ZINC000019748897 494460203 /nfs/dbraw/zinc/46/02/03/494460203.db2.gz MAZXWPSVAGXBBL-UHFFFAOYSA-N 1 0 360.546 3.430 40 0 FGABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3C(N)=O)cc2)C1 ZINC000020040454 494466234 /nfs/dbraw/zinc/46/62/34/494466234.db2.gz MLKWXGIYBKFIFB-OAHLLOKOSA-N 1 0 351.450 3.270 40 0 FGABRO COc1ccc(O[C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000023241091 494557599 /nfs/dbraw/zinc/55/75/99/494557599.db2.gz HWYGVRYYSYWBHI-QGZVFWFLSA-N 1 0 368.477 3.375 40 0 FGABRO CCn1nc(C)c(CN(Cc2ccccn2)C[C@H]2CCC[N@@H+]2CC)c1C ZINC000023247781 494558225 /nfs/dbraw/zinc/55/82/25/494558225.db2.gz ABNSXFHLKTWJAM-HXUWFJFHSA-N 1 0 355.530 3.401 40 0 FGABRO Cc1ccccc1N1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000025227102 494709969 /nfs/dbraw/zinc/70/99/69/494709969.db2.gz DWCYMFYXKFCWTH-GOSISDBHSA-N 1 0 360.885 3.210 40 0 FGABRO Cc1cccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3cccnc3)C2)n1 ZINC000247859711 496922045 /nfs/dbraw/zinc/92/20/45/496922045.db2.gz FHIQVXLXVBPPRB-SFTDATJTSA-N 1 0 353.466 3.235 40 0 FGABRO C[C@@H]1CCC[N@H+](CCCNC(=S)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000225737818 497073870 /nfs/dbraw/zinc/07/38/70/497073870.db2.gz BYFNRDMWMIGHAG-MRXNPFEDSA-N 1 0 374.554 3.222 40 0 FGABRO O=C(Cn1ccnc1)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257219027 497392003 /nfs/dbraw/zinc/39/20/03/497392003.db2.gz DFICFHRBOVMSDX-SFHVURJKSA-N 1 0 368.412 3.355 40 0 FGABRO CN(C)C(=O)c1cnn2c1nccc2[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000257214019 497392216 /nfs/dbraw/zinc/39/22/16/497392216.db2.gz CKEPSHGPDFRAQF-GOSISDBHSA-N 1 0 363.465 3.158 40 0 FGABRO O=C(NCC[NH+]1CCCCC1)c1cccn2cc(-c3ccc(F)cc3)nc12 ZINC000257230570 497393555 /nfs/dbraw/zinc/39/35/55/497393555.db2.gz GCWWCKZBCIGQIE-UHFFFAOYSA-N 1 0 366.440 3.356 40 0 FGABRO O=C(C[NH+]1CCCCC1)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1 ZINC000257241232 497395560 /nfs/dbraw/zinc/39/55/60/497395560.db2.gz HXFSFZADPNWLOQ-IBGZPJMESA-N 1 0 367.493 3.457 40 0 FGABRO Cc1ccc(Nc2cc(C)[nH+]c([C@@H]3CCN(S(=O)(=O)N(C)C)C3)c2)cc1 ZINC000257278842 497397534 /nfs/dbraw/zinc/39/75/34/497397534.db2.gz ODWDIMYFARNORB-MRXNPFEDSA-N 1 0 374.510 3.038 40 0 FGABRO COc1ccc(-c2cc(C(=O)N3CCC[C@@]4(C)[C@@H]3CCC[N@@H+]4C)on2)cc1 ZINC000257328337 497403971 /nfs/dbraw/zinc/40/39/71/497403971.db2.gz XFEUSOUQJMHXHW-FPOVZHCZSA-N 1 0 369.465 3.439 40 0 FGABRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2OC(=O)[C@@](O)(c1ccccc1)C1CCCC1 ZINC000263589777 497803710 /nfs/dbraw/zinc/80/37/10/497803710.db2.gz ROZOEEGFKDFEFP-IMLKGASGSA-N 1 0 357.494 3.338 40 0 FGABRO O=C1c2cccn2[C@H]2CN(Cc3ccco3)C[C@H]2N1Cc1ccc(F)cc1 ZINC000306123519 498737006 /nfs/dbraw/zinc/73/70/06/498737006.db2.gz APEIVMPYLXYQIH-VQTJNVASSA-N 1 0 365.408 3.302 40 0 FGABRO Cc1nc2c(n1C(C)C)CN(Cc1nccs1)CC21CC[NH+](C)CC1 ZINC000306143254 498743639 /nfs/dbraw/zinc/74/36/39/498743639.db2.gz XXCMZFMFFCFUOU-UHFFFAOYSA-N 1 0 359.543 3.208 40 0 FGABRO CC(C)c1cccc2c1CCN(C(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1)C2 ZINC000333297653 498970675 /nfs/dbraw/zinc/97/06/75/498970675.db2.gz POJNEZNPVUYABY-INIZCTEOSA-N 1 0 366.509 3.209 40 0 FGABRO Cc1cc(Nc2cc(C(F)(F)F)nc(NCC[NH+](C)C)n2)ccc1F ZINC000328962502 499000468 /nfs/dbraw/zinc/00/04/68/499000468.db2.gz BIHYPCRWFXOXQR-UHFFFAOYSA-N 1 0 357.355 3.082 40 0 FGABRO Cc1cc(Nc2cc(-c3ccccn3)nc(NCC[NH+](C)C)n2)ccc1F ZINC000328995130 499009993 /nfs/dbraw/zinc/00/99/93/499009993.db2.gz JGGUYQHUODLXGW-UHFFFAOYSA-N 1 0 366.444 3.125 40 0 FGABRO Cc1cc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@@H+](Cc4ccncc4)C[C@@H]32)no1 ZINC000585109744 507574249 /nfs/dbraw/zinc/57/42/49/507574249.db2.gz NWRLEYFKRSARCV-IRFCIJBXSA-N 1 0 374.444 3.078 40 0 FGABRO Fc1ccc2ncc(-c3cccc(C[C@@H]4COC5(C4)CC[NH2+]CC5)n3)n2c1 ZINC000585262772 507581572 /nfs/dbraw/zinc/58/15/72/507581572.db2.gz DMANZPHBGOFVQT-HNNXBMFYSA-N 1 0 366.440 3.237 40 0 FGABRO CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000020038200 523042062 /nfs/dbraw/zinc/04/20/62/523042062.db2.gz BGAWWIFNYXYLOD-GPMSIDNRSA-N 1 0 350.478 3.467 40 0 FGABRO Cc1c[nH]c(-c2cc(C3CC[NH+](Cc4cncs4)CC3)nc(C)n2)n1 ZINC000257343921 210005001 /nfs/dbraw/zinc/00/50/01/210005001.db2.gz ZUYFKLCRAFHKQO-UHFFFAOYSA-N 1 0 354.483 3.320 40 0 FGABRO Cc1c[nH]c(-c2nccnc2C[C@@H]2CCC[N@H+](Cc3cncs3)C2)n1 ZINC000257336616 210003800 /nfs/dbraw/zinc/00/38/00/210003800.db2.gz YPFRSBKNIQWTGE-AWEZNQCLSA-N 1 0 354.483 3.086 40 0 FGABRO Cc1ccnc(NC(=S)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000225773885 209834589 /nfs/dbraw/zinc/83/45/89/209834589.db2.gz UUWYHPQJLKGEOY-UHFFFAOYSA-N 1 0 370.522 3.350 40 0 FGABRO C[NH+](C)CCCNc1nc(NC[C@@H]2CCCO2)cc(-c2ccccc2)n1 ZINC000243330378 209366302 /nfs/dbraw/zinc/36/63/02/209366302.db2.gz LOMQBLGGFQCHHD-KRWDZBQOSA-N 1 0 355.486 3.098 40 0 FGABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(C[C@@H](Nc4ncc(F)cn4)CO3)C2)s1 ZINC000107731241 209278609 /nfs/dbraw/zinc/27/86/09/209278609.db2.gz JLEQOBORKYDHJM-CRAIPNDOSA-N 1 0 362.474 3.221 40 0 FGABRO C[NH+]1CCC2(CC1)CN(C(=O)COc1ccccc1)Cc1ccccc12 ZINC000096242398 209143215 /nfs/dbraw/zinc/14/32/15/209143215.db2.gz XLXSUFPKKRXLJD-UHFFFAOYSA-N 1 0 350.462 3.071 40 0 FGABRO Cc1ccc(CN2CCO[C@]3(CCC[N@H+](Cc4ccccn4)C3)C2)s1 ZINC000096226740 209139018 /nfs/dbraw/zinc/13/90/18/209139018.db2.gz WGLHHNSNKPXSTC-FQEVSTJZSA-N 1 0 357.523 3.319 40 0 FGABRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1nccs1)CC2 ZINC000096220960 209138275 /nfs/dbraw/zinc/13/82/75/209138275.db2.gz WIURPJCWKQABRS-GOSISDBHSA-N 1 0 357.523 3.399 40 0 FGABRO CCOC[C@@H]1CCC2(CCN(C(=O)CCc3ccccc3C)CC2)[N@@H+]1C ZINC000096215248 209136373 /nfs/dbraw/zinc/13/63/73/209136373.db2.gz PUYPOYZLMXDQIJ-FQEVSTJZSA-N 1 0 358.526 3.420 40 0 FGABRO COc1ncccc1C[NH+]1CCC2(CCN(Cc3nccs3)C2)CC1 ZINC000096157444 209125690 /nfs/dbraw/zinc/12/56/90/209125690.db2.gz SJSXOICVOSTHJH-UHFFFAOYSA-N 1 0 358.511 3.035 40 0 FGABRO O=C(c1cscn1)N1CCC2(CC1)CC[NH+](Cc1ccccn1)CC2 ZINC000096158379 209125505 /nfs/dbraw/zinc/12/55/05/209125505.db2.gz HRPAZVFXZULHRV-UHFFFAOYSA-N 1 0 356.495 3.057 40 0 FGABRO Cc1ncsc1C[N@@H+]1CCC[C@]2(C[C@@H](OCc3cccnc3)CO2)C1 ZINC000096107285 209113768 /nfs/dbraw/zinc/11/37/68/209113768.db2.gz IAVGDWNUPMIGNT-MJGOQNOKSA-N 1 0 359.495 3.187 40 0 FGABRO c1ccc(CC[NH+]2CCC3(C[C@H](OCc4ccncc4)CO3)CC2)cc1 ZINC000096106846 209113673 /nfs/dbraw/zinc/11/36/73/209113673.db2.gz XUVAIIZGOSBUTQ-NRFANRHFSA-N 1 0 352.478 3.464 40 0 FGABRO Cc1ncccc1NC(=O)[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cccs2)O1 ZINC000096065369 209107430 /nfs/dbraw/zinc/10/74/30/209107430.db2.gz WZXCULGTKIVNSL-KURKYZTESA-N 1 0 357.479 3.212 40 0 FGABRO C[C@H]1CC(C)(C)[N@@H+]2CC[C@H](C(=O)N3Cc4cc5ccccc5nc4C3)[C@@H]2O1 ZINC000005160918 207084671 /nfs/dbraw/zinc/08/46/71/207084671.db2.gz NPMYSDYHYASACI-OXTHUFEASA-N 1 0 365.477 3.312 40 0 FGABRO COc1cc2c(cc1OC)[C@@H](c1cc3ccc(C)cc3[nH]c1=O)[NH2+]CC2 ZINC000035314849 207131249 /nfs/dbraw/zinc/13/12/49/207131249.db2.gz JWDVFTOHWXLZIN-FQEVSTJZSA-N 1 0 350.418 3.089 40 0 FGABRO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC[C@H](O)C[N@H+](CCO)Cc1ccccc1)C2 ZINC000009970714 207290745 /nfs/dbraw/zinc/29/07/45/207290745.db2.gz NWYPYGCCRUVMTM-VMBXEPDQSA-N 1 0 361.526 3.073 40 0 FGABRO COc1cccc(C[NH+]2CCC3(CC2)Nc2ccccc2C2=NCCN23)c1 ZINC000012086098 207336472 /nfs/dbraw/zinc/33/64/72/207336472.db2.gz PHJTTXSGIYSPGY-UHFFFAOYSA-N 1 0 362.477 3.175 40 0 FGABRO O=C1NC[C@]2(CCC[N@H+](CCCOc3ccccc3)C2)Oc2ccccc21 ZINC000012087285 207336752 /nfs/dbraw/zinc/33/67/52/207336752.db2.gz ILYSKFULPLYKFE-QFIPXVFZSA-N 1 0 366.461 3.113 40 0 FGABRO C[N@@H+]1CCCC[C@H]1CC(=O)N1CCC(c2nc3ccccc3cc2N)CC1 ZINC000012087839 207336791 /nfs/dbraw/zinc/33/67/91/207336791.db2.gz JURTYUODIDPURF-SFHVURJKSA-N 1 0 366.509 3.397 40 0 FGABRO OCCOc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)cc1 ZINC000012293206 207352974 /nfs/dbraw/zinc/35/29/74/207352974.db2.gz BXIUIGXLRGOHMW-VSOVRNOCSA-N 1 0 371.452 3.211 40 0 FGABRO O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038849343 208207676 /nfs/dbraw/zinc/20/76/76/208207676.db2.gz AKBJRKKUPZQZPA-OAHLLOKOSA-N 1 0 356.397 3.405 40 0 FGABRO c1csc(C[N@H+]2CC[C@H]3O[C@@H](COCC4CCOCC4)CC[C@H]32)c1 ZINC000096056422 209104554 /nfs/dbraw/zinc/10/45/54/209104554.db2.gz HUYQOAGXTHDARA-BHIYHBOVSA-N 1 0 351.512 3.313 40 0 FGABRO Fc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CCOCC4)CC[C@H]32)cc1 ZINC000096056425 209104456 /nfs/dbraw/zinc/10/44/56/209104456.db2.gz SKMUOYOTBQGKFQ-NJDAHSKKSA-N 1 0 363.473 3.391 40 0 FGABRO Cc1cc(C)n(Cc2ccc(C(=O)NCCC[N@H+]3CCC[C@@H](C)C3)cc2)n1 ZINC000061399652 208597325 /nfs/dbraw/zinc/59/73/25/208597325.db2.gz PZNFWOQLGDHIAW-QGZVFWFLSA-N 1 0 368.525 3.400 40 0 FGABRO COc1ccc(C[N@@H+]2CCC3(C2)CCN(C(=O)c2cccnc2)CC3)cc1 ZINC000096046666 209100727 /nfs/dbraw/zinc/10/07/27/209100727.db2.gz DQIWRONTODUJAE-UHFFFAOYSA-N 1 0 365.477 3.219 40 0 FGABRO COc1ccc(C[N@@H+]2CCC[C@@]3(C[C@@H](Nc4ccc(C)nn4)CO3)C2)cc1 ZINC000096048466 209100916 /nfs/dbraw/zinc/10/09/16/209100916.db2.gz HUUGNFFMTNKIER-WIYYLYMNSA-N 1 0 368.481 3.029 40 0 FGABRO c1coc(-c2nc(NCCC[NH+]3CCCCC3)ncc2-c2cnccn2)c1 ZINC000072340313 208834909 /nfs/dbraw/zinc/83/49/09/208834909.db2.gz JHHHMVMTIRCLNP-UHFFFAOYSA-N 1 0 364.453 3.482 40 0 FGABRO Cc1ccc(C[N@@H+]2CCC[C@]3(CCN(Cc4ccncc4)C3=O)C2)s1 ZINC000096048658 209099541 /nfs/dbraw/zinc/09/95/41/209099541.db2.gz LFZSXTKAUDNGPH-FQEVSTJZSA-N 1 0 355.507 3.466 40 0 FGABRO c1nc2n(c1-c1ccccc1)CCNC21CC[NH+](Cc2ccccn2)CC1 ZINC000096037104 209097586 /nfs/dbraw/zinc/09/75/86/209097586.db2.gz VYTZKJPXFQFRDH-UHFFFAOYSA-N 1 0 359.477 3.040 40 0 FGABRO C[C@H]1Cc2ccccc2CN1c1cc(NCC[NH+](C)C)nc(C2CC2)n1 ZINC000328996716 132372396 /nfs/dbraw/zinc/37/23/96/132372396.db2.gz JMKUWUGJFDKADU-HNNXBMFYSA-N 1 0 351.498 3.279 40 0 FGABRO Cc1ccc(NC(=O)CCc2nc(N)nc(N)c2-c2ccccc2)cc1C ZINC000001618421 493797108 /nfs/dbraw/zinc/79/71/08/493797108.db2.gz JJQYQARPYTWDPS-UHFFFAOYSA-N 1 0 361.449 3.496 40 0 FGABRO CC(C)[NH+](CCN(C)C(=O)C(O)(c1ccccc1)c1ccccc1)C(C)C ZINC000001759683 493798011 /nfs/dbraw/zinc/79/80/11/493798011.db2.gz WTWYIGWROXCQPY-UHFFFAOYSA-N 1 0 368.521 3.500 40 0 FGABRO COc1cccc(OCC(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000048399854 493826205 /nfs/dbraw/zinc/82/62/05/493826205.db2.gz OLXIGYMKGILZMH-UHFFFAOYSA-N 1 0 368.477 3.376 40 0 FGABRO CC(C)(C)c1ccc(C(=O)Nc2ccc3n(c2=O)C[C@@H]2C[NH2+]C[C@H]3C2)cc1 ZINC000004236309 493869237 /nfs/dbraw/zinc/86/92/37/493869237.db2.gz WFUIGZAABIFBBG-GOEBONIOSA-N 1 0 365.477 3.105 40 0 biogenic,in-vitro FGABRO COc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)cc1C ZINC000030326193 493887127 /nfs/dbraw/zinc/88/71/27/493887127.db2.gz MSUZCMXUXRQKFK-UHFFFAOYSA-N 1 0 374.506 3.078 40 0 FGABRO COc1ccccc1CNC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039768425 494123716 /nfs/dbraw/zinc/12/37/16/494123716.db2.gz YFOCRWBXEREHOC-UHFFFAOYSA-N 1 0 356.441 3.363 40 0 FGABRO CCOC(=O)C1CCN(C(=O)C2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000039758867 494123850 /nfs/dbraw/zinc/12/38/50/494123850.db2.gz BOPXKQUHLDSVNR-UHFFFAOYSA-N 1 0 372.509 3.009 40 0 FGABRO COC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039757977 494124269 /nfs/dbraw/zinc/12/42/69/494124269.db2.gz QECPJFVBOYUXEY-UHFFFAOYSA-N 1 0 370.424 3.463 40 0 FGABRO C[C@@H]1C[NH+](C[C@H](O)COCC(c2ccccc2)c2ccccc2)C[C@@H](C)O1 ZINC000040373080 494141744 /nfs/dbraw/zinc/14/17/44/494141744.db2.gz DKCREKPEBXMOPS-KNKQGSTJSA-N 1 0 369.505 3.305 40 0 FGABRO CC(C)[NH+]1CCC(Nc2ncc(-c3nccn3C)c(-c3ccco3)n2)CC1 ZINC000072340788 494153457 /nfs/dbraw/zinc/15/34/57/494153457.db2.gz TZCTYSLZPMXUNN-UHFFFAOYSA-N 1 0 366.469 3.422 40 0 FGABRO COc1cc([C@@H]2Nc3ccccc3C3=[NH+]CCCN32)cc(OC)c1OC ZINC000072342090 494154966 /nfs/dbraw/zinc/15/49/66/494154966.db2.gz LRUPNUFUCDEENT-LJQANCHMSA-N 1 0 353.422 3.289 40 0 FGABRO COc1cccc(-c2cncc([C@@H]3CCC[N@H+](Cc4cnn(C)c4)C3)n2)c1 ZINC000072359726 494156836 /nfs/dbraw/zinc/15/68/36/494156836.db2.gz UYNPNMCWFRSXOU-GOSISDBHSA-N 1 0 363.465 3.265 40 0 FGABRO COc1cccc(-c2nccnc2[C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)c1 ZINC000072359059 494157207 /nfs/dbraw/zinc/15/72/07/494157207.db2.gz WORGFGUJWYHXTG-SFHVURJKSA-N 1 0 363.465 3.265 40 0 FGABRO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](c2cncc(Oc3cccnc3)n2)C1 ZINC000072384038 494161936 /nfs/dbraw/zinc/16/19/36/494161936.db2.gz GNAXQJHUSPQOPO-MRXNPFEDSA-N 1 0 364.453 3.085 40 0 FGABRO Cc1ccc2c(c1)C(=O)NCC1(CCC([N@H+](C)Cc3cccnc3)CC1)O2 ZINC000072391111 494162155 /nfs/dbraw/zinc/16/21/55/494162155.db2.gz STNBGZKOFNCCDI-UHFFFAOYSA-N 1 0 365.477 3.326 40 0 FGABRO O=c1cc([C@@H]2CCC[N@H+](Cc3cccs3)C2)nc(-c2ccccn2)[nH]1 ZINC000072393192 494163587 /nfs/dbraw/zinc/16/35/87/494163587.db2.gz MJSDRHDSOXQFQK-CQSZACIVSA-N 1 0 352.463 3.273 40 0 FGABRO Cc1nc2ccccn2c1C[N@H+]1C[C@H]2[C@H](CC[C@]2(O)c2ccc(C)cn2)C1 ZINC000012221555 494214413 /nfs/dbraw/zinc/21/44/13/494214413.db2.gz CTPLHSMEURQVFS-KGVIQGDOSA-N 1 0 362.477 3.076 40 0 FGABRO Cc1cccnc1[C@@]1(O)CC[C@@H]2C[N@H+](Cc3cnc4ccccc4n3)C[C@@H]21 ZINC000013227723 494282899 /nfs/dbraw/zinc/28/28/99/494282899.db2.gz VMBDVSPNEYMOEL-TVTNDZMWSA-N 1 0 360.461 3.063 40 0 FGABRO Cc1ccccc1-c1cc(=O)[nH]c(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000014608477 494321939 /nfs/dbraw/zinc/32/19/39/494321939.db2.gz PAAJUQCYPMEPOS-UHFFFAOYSA-N 1 0 360.461 3.068 40 0 FGABRO CC(=O)N1Cc2ccccc2O[C@H](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000019019686 494434621 /nfs/dbraw/zinc/43/46/21/494434621.db2.gz DTHJYXHJNJTSNB-QFIPXVFZSA-N 1 0 365.477 3.103 40 0 FGABRO Cc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@@H+]3C[C@@H]3CCOC3)cc2n1 ZINC000019116841 494435934 /nfs/dbraw/zinc/43/59/34/494435934.db2.gz BAZADTNOPZEOSW-GXTWGEPZSA-N 1 0 354.376 3.230 40 0 FGABRO CC(=O)Nc1ccc(CN2Cc3cc(C)ccc3OC[C@@H]2C[NH+](C)C)cc1 ZINC000019219376 494437619 /nfs/dbraw/zinc/43/76/19/494437619.db2.gz OZLHAKFNBCQFBZ-NRFANRHFSA-N 1 0 367.493 3.278 40 0 FGABRO Cc1ccc(O[C@H](C)C(=O)N(C[C@@H]2CCCO2)C2CC[NH+](C)CC2)cc1C ZINC000019214096 494438326 /nfs/dbraw/zinc/43/83/26/494438326.db2.gz BEHWTJNHLGZWKZ-NQIIRXRSSA-N 1 0 374.525 3.173 40 0 FGABRO COc1cccc(C[NH2+]Cc2cc(-c3cccc(C)c3)cn3nnnc23)c1 ZINC000019235306 494439172 /nfs/dbraw/zinc/43/91/72/494439172.db2.gz XHAVHVGDZQZULU-UHFFFAOYSA-N 1 0 359.433 3.398 40 0 FGABRO COc1cccc(CC[NH2+]Cc2cc(-c3cccc(C)c3)cn3nnnc23)c1 ZINC000019235293 494439819 /nfs/dbraw/zinc/43/98/19/494439819.db2.gz WAFQDIKQTVNNFF-UHFFFAOYSA-N 1 0 373.460 3.441 40 0 FGABRO Cc1cccnc1[C@@]1(O)CC[C@@H]2C[N@@H+](Cc3ccc4c(c3)C[C@H](C)O4)C[C@@H]21 ZINC000019237867 494440036 /nfs/dbraw/zinc/44/00/36/494440036.db2.gz QODWZSKJILONGU-KZHMMYNISA-N 1 0 364.489 3.443 40 0 FGABRO CC(C)c1ncc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)cn1 ZINC000019453953 494444623 /nfs/dbraw/zinc/44/46/23/494444623.db2.gz RVPAQJATZNVKQQ-HTZLVSCSSA-N 1 0 352.482 3.115 40 0 FGABRO O=c1cc(-c2ccsc2)nc(C2CC[NH+](Cc3ccncc3)CC2)[nH]1 ZINC000019405198 494445326 /nfs/dbraw/zinc/44/53/26/494445326.db2.gz WPUPGNPIDZHDAJ-UHFFFAOYSA-N 1 0 352.463 3.273 40 0 FGABRO CCCCc1ncc(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C2)cn1 ZINC000019502373 494446116 /nfs/dbraw/zinc/44/61/16/494446116.db2.gz KXMKXFGYLTWXBH-JQVVWYNYSA-N 1 0 366.509 3.252 40 0 FGABRO COc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2Cc2ccccc2)cc1O ZINC000019559762 494449917 /nfs/dbraw/zinc/44/99/17/494449917.db2.gz RPMPZEDCFBEMGZ-PMACEKPBSA-N 1 0 352.478 3.292 40 0 FGABRO CSCC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c[nH]nc1-c1ccccc1 ZINC000019574022 494450662 /nfs/dbraw/zinc/45/06/62/494450662.db2.gz DXPBKNGTRICPFK-RBUKOAKNSA-N 1 0 356.539 3.478 40 0 FGABRO C[N@@H+]1CCc2nc(C3CCN(C(=O)CC4CCCCC4)CC3)ncc2C1 ZINC000019590665 494451168 /nfs/dbraw/zinc/45/11/68/494451168.db2.gz QGSLTVSZYXZPNJ-UHFFFAOYSA-N 1 0 356.514 3.141 40 0 FGABRO CN(C)CC[N@H+](C)C1CCN(Cc2ccc3cccc(Cl)c3n2)CC1 ZINC000019582449 494451221 /nfs/dbraw/zinc/45/12/21/494451221.db2.gz UUQCBMUXEOPJER-UHFFFAOYSA-N 1 0 360.933 3.346 40 0 FGABRO COc1c(C[NH+]2CCC(COc3ccc(OC)cc3)CC2)c(C)nn1C ZINC000019577938 494451480 /nfs/dbraw/zinc/45/14/80/494451480.db2.gz UNEFSBMACSMZII-UHFFFAOYSA-N 1 0 359.470 3.037 40 0 FGABRO C[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H]2[C@H]1CCCCCN2C(=O)[C@@H]1CCCO1 ZINC000019590804 494451601 /nfs/dbraw/zinc/45/16/01/494451601.db2.gz LPRJCNMKLKCLMF-YRPNKDGESA-N 1 0 360.473 3.174 40 0 FGABRO COCCOc1ccc(C[NH+]2CCC(c3cc4nccnc4[nH]3)CC2)cc1 ZINC000019593691 494452854 /nfs/dbraw/zinc/45/28/54/494452854.db2.gz QGKQIUSEOHCVTN-UHFFFAOYSA-N 1 0 366.465 3.363 40 0 FGABRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc(-n2cnnc2)cc1 ZINC000019659304 494453648 /nfs/dbraw/zinc/45/36/48/494453648.db2.gz LXGULVONIVJEOH-UHFFFAOYSA-N 1 0 367.497 3.186 40 0 FGABRO CNc1cc(CN(C)Cc2ccnc3ccccc23)nc([C@H]2CCC[NH2+]2)n1 ZINC000019759883 494460293 /nfs/dbraw/zinc/46/02/93/494460293.db2.gz DVWIJVCZOFSBEU-LJQANCHMSA-N 1 0 362.481 3.123 40 0 FGABRO C[NH+](C)CCCNC(=O)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000020489191 494474434 /nfs/dbraw/zinc/47/44/34/494474434.db2.gz UCOYNDUPQAKCAG-UHFFFAOYSA-N 1 0 351.494 3.321 40 0 FGABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cccnc1)Cc1cnc(C(C)C)nc1 ZINC000022931864 494542901 /nfs/dbraw/zinc/54/29/01/494542901.db2.gz KNZPVMTWXYJNPN-FQEVSTJZSA-N 1 0 353.514 3.482 40 0 FGABRO COc1ccc(C[N@@H+]2CC[C@]3(C[C@H](Nc4ncccc4F)CO3)C2)cc1 ZINC000096047646 494998011 /nfs/dbraw/zinc/99/80/11/494998011.db2.gz JUBQICUQWMOVFS-JXFKEZNVSA-N 1 0 357.429 3.075 40 0 FGABRO COc1ccc2nc3n(c2c1)[C@@H](C[NH2+]Cc1cnc2ccccc2c1)COC3 ZINC000096112622 495002127 /nfs/dbraw/zinc/00/21/27/495002127.db2.gz ZZMAIGMBLJQNHI-KRWDZBQOSA-N 1 0 374.444 3.454 40 0 biogenic,in-vitro FGABRO Cc1cc(C)n(Cc2ccc(C(=O)NCCC[NH+]3CCCCC3)cc2)n1 ZINC000225288570 497059136 /nfs/dbraw/zinc/05/91/36/497059136.db2.gz AKLZYJOBBAAWEX-UHFFFAOYSA-N 1 0 354.498 3.154 40 0 FGABRO CC(C)OC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(N)c1 ZINC000225439681 497063053 /nfs/dbraw/zinc/06/30/53/497063053.db2.gz LHNDOPSNQKWSEH-UHFFFAOYSA-N 1 0 353.466 3.156 40 0 FGABRO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@@H+](Cc1cn(C)c3ccccc13)C2 ZINC000225494964 497065354 /nfs/dbraw/zinc/06/53/54/497065354.db2.gz KYQXQLQGQMIGNL-IBGZPJMESA-N 1 0 364.493 3.085 40 0 biogenic,in-vitro FGABRO c1cncc(OCC[C@@H]2CCOC23CC[NH+](CC2CCOCC2)CC3)c1 ZINC000253478761 497334783 /nfs/dbraw/zinc/33/47/83/497334783.db2.gz MZLFOHLTQXWTJH-LJQANCHMSA-N 1 0 360.498 3.148 40 0 FGABRO COC(=O)c1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)cc1 ZINC000255187707 497360521 /nfs/dbraw/zinc/36/05/21/497360521.db2.gz GGPQKTKQYXPORX-QAQDUYKDSA-N 1 0 362.470 3.399 40 0 FGABRO Cc1cccnc1Nc1nccnc1[C@H]1CCC[N@@H+](Cc2cncn2C)C1 ZINC000257257742 497396483 /nfs/dbraw/zinc/39/64/83/497396483.db2.gz KQWYNXRWAMYJPF-INIZCTEOSA-N 1 0 363.469 3.037 40 0 FGABRO Cc1ncc(-c2cncc([C@@H]3CCCN(C(=O)c4ccccc4)C3)n2)n1C ZINC000257261731 497396588 /nfs/dbraw/zinc/39/65/88/497396588.db2.gz LIOLZFFTNKIJKD-QGZVFWFLSA-N 1 0 361.449 3.205 40 0 FGABRO CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CC[N@H+](Cc4cncnc4)[C@@H]3C[C@H]21 ZINC000257262489 497396885 /nfs/dbraw/zinc/39/68/85/497396885.db2.gz LLPDEAAVULZFAX-LFGUQSLTSA-N 1 0 351.450 3.368 40 0 FGABRO Cc1cccnc1C[N@@H+]1CC[C@@H]2O[C@@](C)(COc3cccnc3)C[C@@H]2C1 ZINC000257301484 497400340 /nfs/dbraw/zinc/40/03/40/497400340.db2.gz RYPISABUPJFBKX-JRGCBEDISA-N 1 0 353.466 3.234 40 0 FGABRO COc1ccccc1CCNC(=O)c1ncccc1-c1cccc(C[NH3+])c1 ZINC000257307084 497401292 /nfs/dbraw/zinc/40/12/92/497401292.db2.gz SXDFDJXMGKJYGJ-UHFFFAOYSA-N 1 0 361.445 3.188 40 0 FGABRO C[NH+](C)CC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257309397 497402541 /nfs/dbraw/zinc/40/25/41/497402541.db2.gz UAUKDEQQMNGFLU-OAHLLOKOSA-N 1 0 361.873 3.186 40 0 FGABRO Cc1cccc(C[N@H+]2C[C@@H]3[C@H](C2)n2cccc2C(=O)N3Cc2ccccn2)c1 ZINC000306123396 498736289 /nfs/dbraw/zinc/73/62/89/498736289.db2.gz AMAWWDVYRWPEMD-FCHUYYIVSA-N 1 0 372.472 3.273 40 0 FGABRO O=C(c1cc2c(s1)CCC2)N1CCO[C@]2(CCCC[C@H]2[NH+]2CCCC2)C1 ZINC000306130480 498739098 /nfs/dbraw/zinc/73/90/98/498739098.db2.gz JHQXXFRWHSFIHE-TZIWHRDSSA-N 1 0 374.550 3.486 40 0 FGABRO C[NH+](C)CCCNc1nc(Nc2ccc(F)cc2)cc(C(F)(F)F)n1 ZINC000328972639 499002411 /nfs/dbraw/zinc/00/24/11/499002411.db2.gz DWMXSCUAGYGNTF-UHFFFAOYSA-N 1 0 357.355 3.164 40 0 FGABRO OCCCNc1nc(Nc2ccc(F)cc2Cl)cc(-c2ccccc2)n1 ZINC000329047821 499025781 /nfs/dbraw/zinc/02/57/81/499025781.db2.gz UHQWJLLSDNZQBI-UHFFFAOYSA-N 1 0 372.831 3.318 40 0 FGABRO c1ccc(C[NH+]2C[C@@H]3CN(c4ccc(-c5cccnc5)nn4)C[C@H]3C2)cc1 ZINC000409426243 499596219 /nfs/dbraw/zinc/59/62/19/499596219.db2.gz DVCXFCHGBNALLS-WOJBJXKFSA-N 1 0 357.461 3.107 40 0 FGABRO Cn1cc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOCC2CCCC2)cn1 ZINC000585103220 507567669 /nfs/dbraw/zinc/56/76/69/507567669.db2.gz ADZGCWXYHNSAFL-HXUWFJFHSA-N 1 0 361.530 3.388 40 0 FGABRO C[N@@H+]1Cc2cccc(-c3cnc4n3CCN(C(=O)C3CCCC3)CC4)c2C1 ZINC000585111261 507574600 /nfs/dbraw/zinc/57/46/00/507574600.db2.gz LSPHTXRRDRWXHX-UHFFFAOYSA-N 1 0 364.493 3.070 40 0 FGABRO COC(=O)CCc1ccc2c(c1)[C@@H]1O[C@H](C)CC[C@H]1C1(CC[NH2+]CC1)O2 ZINC000585263588 507581409 /nfs/dbraw/zinc/58/14/09/507581409.db2.gz UJKWOZVRCVJKKL-ZTQAJYAQSA-N 1 0 359.466 3.163 40 0 FGABRO O[C@@]1(COc2ccc(F)c(Cl)c2)COCC[N@@H+](C2CCCCC2)C1 ZINC000585284614 507583827 /nfs/dbraw/zinc/58/38/27/507583827.db2.gz YVGCOPSLZTWMGJ-GOSISDBHSA-N 1 0 357.853 3.254 40 0 FGABRO Cc1cc(OC[C@]2(O)COCC[N@@H+](C3CCCCCC3)C2)ccc1F ZINC000585282356 507584900 /nfs/dbraw/zinc/58/49/00/507584900.db2.gz IFDUJPADTFCKNJ-HXUWFJFHSA-N 1 0 351.462 3.299 40 0 FGABRO CC(C)C[N@@H+]1C[C@@H]2CN(C(=O)Nc3ccc(F)cc3)CCN2C(C)(C)C1 ZINC000514289868 560031193 /nfs/dbraw/zinc/03/11/93/560031193.db2.gz PKKTZMMDVLFFNU-GOSISDBHSA-N 1 0 362.493 3.094 40 0 biogenic,in-vitro FGABRO Cc1ncsc1C[NH+]1CCC(c2nccnc2-c2nccn2C)CC1 ZINC000257228603 209969981 /nfs/dbraw/zinc/96/99/81/209969981.db2.gz FUNPEWKNACSQOV-UHFFFAOYSA-N 1 0 354.483 3.022 40 0 FGABRO CC(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c1 ZINC000223214052 209752830 /nfs/dbraw/zinc/75/28/30/209752830.db2.gz PVWRXACJFITENJ-MOPGFXCFSA-N 1 0 371.554 3.388 40 0 FGABRO CCOc1ccc2cc(C[NH2+]CCc3ccc(OC)cc3)c(=O)[nH]c2c1 ZINC000013998940 209585386 /nfs/dbraw/zinc/58/53/86/209585386.db2.gz SUORNJXNBQCBLJ-UHFFFAOYSA-N 1 0 352.434 3.268 40 0 FGABRO Cc1nc(Nc2ncccn2)cc([C@@H]2CCCC[N@@H+]2CC2CCOCC2)n1 ZINC000257296212 223055395 /nfs/dbraw/zinc/05/53/95/223055395.db2.gz RBTABXDCSMWKTK-SFHVURJKSA-N 1 0 368.485 3.272 40 0 FGABRO Cc1ccc(C[N@@H+]2CCC[C@]3(C[C@@H](Nc4ncc(F)cn4)CO3)C2)s1 ZINC000107731246 209279175 /nfs/dbraw/zinc/27/91/75/209279175.db2.gz JLEQOBORKYDHJM-QAPCUYQASA-N 1 0 362.474 3.221 40 0 FGABRO COc1ccc(C2(O)CC[NH+](C[C@@H](O)c3ccc4c(c3)CCC4)CC2)cc1 ZINC000012292594 219976089 /nfs/dbraw/zinc/97/60/89/219976089.db2.gz DPLXMYLCUJSQGL-JOCHJYFZSA-N 1 0 367.489 3.201 40 0 FGABRO O=C(c1c[nH]c2ccccc12)N1CCC[C@@]2(C[C@H](C[NH+]3CCCC3)CO2)C1 ZINC000096228345 209140594 /nfs/dbraw/zinc/14/05/94/209140594.db2.gz PYTGIERHORANNY-VGOFRKELSA-N 1 0 367.493 3.275 40 0 FGABRO COCC[N@@H+]1C[C@@H]2CN(Cc3cccc(C)n3)CC[C@]2(c2ccccc2)C1 ZINC000096251765 209143876 /nfs/dbraw/zinc/14/38/76/209143876.db2.gz KTQCJPQBBIUQQF-JTHBVZDNSA-N 1 0 365.521 3.112 40 0 FGABRO O=C(CCc1cccnc1)N1CC2(C1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096203022 209132832 /nfs/dbraw/zinc/13/28/32/209132832.db2.gz XTVQXRITPCRFAW-UHFFFAOYSA-N 1 0 367.468 3.278 40 0 FGABRO Cc1csc(C[NH+]2CCC3(CO[C@H](COc4ccccn4)C3)CC2)n1 ZINC000096106233 209113137 /nfs/dbraw/zinc/11/31/37/209113137.db2.gz LQEUSQRKTKSAIO-INIZCTEOSA-N 1 0 359.495 3.297 40 0 FGABRO CC1CCN(C(=O)c2cc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)no2)CC1 ZINC000019496764 220261708 /nfs/dbraw/zinc/26/17/08/220261708.db2.gz ATZHSUPEYOFJPT-GOSISDBHSA-N 1 0 368.481 3.321 40 0 FGABRO COc1cc2c(cc1OC)[C@@H](c1cc3cc(C)ccc3[nH]c1=O)[NH2+]CC2 ZINC000035316154 207132129 /nfs/dbraw/zinc/13/21/29/207132129.db2.gz ZYZWRFWJXRDQRK-FQEVSTJZSA-N 1 0 350.418 3.089 40 0 FGABRO CCc1ncc(C[N@@H+]2C[C@@H]3CCC[C@](O)(c4ccc(F)cc4)[C@@H]3C2)cn1 ZINC000036740028 207290847 /nfs/dbraw/zinc/29/08/47/207290847.db2.gz VKTJQXSXGKQACM-SCWSEQNSSA-N 1 0 355.457 3.298 40 0 FGABRO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H]3CN(C(=O)CC(C)C)C[C@@H]32)cc1 ZINC000012188232 207346433 /nfs/dbraw/zinc/34/64/33/207346433.db2.gz ZRRUTDWSKYNLCJ-QUCCMNQESA-N 1 0 357.498 3.114 40 0 FGABRO Cc1nc(C)c(C(=O)NC2CC[NH+](CC3(c4ccccc4)CC3)CC2)o1 ZINC000012187140 207346865 /nfs/dbraw/zinc/34/68/65/207346865.db2.gz FMZQZWLCWDFYBY-UHFFFAOYSA-N 1 0 353.466 3.217 40 0 FGABRO O[C@H](C[N@H+]1CC=C(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000012291705 207353896 /nfs/dbraw/zinc/35/38/96/207353896.db2.gz SVQYGEIDOOWBBN-LJQANCHMSA-N 1 0 355.409 3.420 40 0 FGABRO Cc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1 ZINC000012329420 207364140 /nfs/dbraw/zinc/36/41/40/207364140.db2.gz JJEXCFPEDNMFBP-WOJBJXKFSA-N 1 0 353.462 3.379 40 0 FGABRO Cc1ccc2c(c1)CN(C(=O)Cc1cc(F)ccc1F)[C@H](C[NH+](C)C)CO2 ZINC000012406623 207371170 /nfs/dbraw/zinc/37/11/70/207371170.db2.gz KQHFHRXYNJTRLL-GOSISDBHSA-N 1 0 374.431 3.167 40 0 FGABRO O=c1ccc(-c2nc(C3CC[NH+](Cc4cccc(F)c4)CC3)no2)c[nH]1 ZINC000012407954 207371654 /nfs/dbraw/zinc/37/16/54/207371654.db2.gz WVZQQBYWQBVDKB-UHFFFAOYSA-N 1 0 354.385 3.356 40 0 FGABRO Cc1ccc2c(c1)CN(C(=O)CCc1ccccc1)[C@@H](C[NH+](C)C)CO2 ZINC000012406640 207372299 /nfs/dbraw/zinc/37/22/99/207372299.db2.gz BABHTGHUOVDXPU-FQEVSTJZSA-N 1 0 352.478 3.279 40 0 FGABRO CCOc1ccccc1N1CC[NH+](C[C@H](O)CSc2ccccc2)CC1 ZINC000031666949 208016125 /nfs/dbraw/zinc/01/61/25/208016125.db2.gz AMRPQPBOUVTWFF-SFHVURJKSA-N 1 0 372.534 3.361 40 0 FGABRO C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc(I)c1 ZINC000031772638 208018715 /nfs/dbraw/zinc/01/87/15/208018715.db2.gz YPGSEFDICUTVAP-MRXNPFEDSA-N 1 0 367.230 3.457 40 0 FGABRO COC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038834510 208205045 /nfs/dbraw/zinc/20/50/45/208205045.db2.gz MFJLJFKCQRYKTP-KRWDZBQOSA-N 1 0 352.434 3.324 40 0 FGABRO CCOC(=O)[C@@]12C[N@H+](CC(C)C)C[C@@H]1CN(Cc1ccc(C)o1)CCC2 ZINC000096055929 209104333 /nfs/dbraw/zinc/10/43/33/209104333.db2.gz QDXFXKYHWVTALY-RXVVDRJESA-N 1 0 362.514 3.321 40 0 FGABRO Cc1ccc(C[NH+]2CCC3(CC[C@H]3NS(=O)(=O)c3ccccc3)CC2)o1 ZINC000096051625 209102064 /nfs/dbraw/zinc/10/20/64/209102064.db2.gz CACDAPYEOPRFQB-LJQANCHMSA-N 1 0 374.506 3.311 40 0 FGABRO Cc1ncsc1C[N@@H+]1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC000096040435 209098663 /nfs/dbraw/zinc/09/86/63/209098663.db2.gz FUZLGEQDECGAAJ-PKOBYXMFSA-N 1 0 359.495 3.297 40 0 FGABRO Cc1cccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COc3cccnc3)C2)n1 ZINC000096039997 209098425 /nfs/dbraw/zinc/09/84/25/209098425.db2.gz FHIQVXLXVBPPRB-LEWJYISDSA-N 1 0 353.466 3.235 40 0 FGABRO COc1ccc(-c2cccc([C@@H]3CCCN(C(=O)C[NH+](C)C)C3)n2)cc1 ZINC000072350113 221477471 /nfs/dbraw/zinc/47/74/71/221477471.db2.gz ZKTNISOICHDEGM-QGZVFWFLSA-N 1 0 353.466 3.025 40 0 FGABRO CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000113960371 132247284 /nfs/dbraw/zinc/24/72/84/132247284.db2.gz BKYSGQUHZFULKX-LJQANCHMSA-N 1 0 371.456 3.374 40 0 FGABRO Cc1cc(C)cc(OC[C@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000033528525 263396432 /nfs/dbraw/zinc/39/64/32/263396432.db2.gz HLDMLENOBCKIPS-HXUWFJFHSA-N 1 0 358.457 3.004 40 0 FGABRO Cc1ccccc1C[NH+]1CCC(C(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000039748542 263399415 /nfs/dbraw/zinc/39/94/15/263399415.db2.gz VGLXIRBKYDJAKC-UHFFFAOYSA-N 1 0 363.461 3.192 40 0 FGABRO C[C@@H](c1ccccc1F)n1cc(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)nn1 ZINC000004986382 493906062 /nfs/dbraw/zinc/90/60/62/493906062.db2.gz WVUUNZKCQDVQMJ-OAGGEKHMSA-N 1 0 373.476 3.019 40 0 FGABRO CC[NH+](CC)CCOC(=O)[C@](O)(c1ccccc1)c1cccc(C)c1C ZINC000006382291 493961142 /nfs/dbraw/zinc/96/11/42/493961142.db2.gz DFPMATMGEZMBLB-QFIPXVFZSA-N 1 0 355.478 3.424 40 0 FGABRO COCCOc1ccc(C[N@@H+]2C[C@H]3ON=C(c4ccc(C)cc4)[C@@H]3C2)cc1 ZINC000072343282 494154974 /nfs/dbraw/zinc/15/49/74/494154974.db2.gz HFJSOHIMRVEYOZ-NHCUHLMSSA-N 1 0 366.461 3.255 40 0 FGABRO COc1cccc(-c2nccnc2[C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)c1 ZINC000072359060 494157108 /nfs/dbraw/zinc/15/71/08/494157108.db2.gz WORGFGUJWYHXTG-GOSISDBHSA-N 1 0 363.465 3.265 40 0 FGABRO COC[C@@H]1CN(C(=O)C2CCCCC2)CC[N@H+](CCc2ccccc2)C1 ZINC000072354451 494157288 /nfs/dbraw/zinc/15/72/88/494157288.db2.gz MUTNUPJDLZEAKI-FQEVSTJZSA-N 1 0 358.526 3.216 40 0 FGABRO c1ccc(CC[N@@H+]2CCC[C@@H](c3ccnc(Nc4cnccn4)n3)C2)cc1 ZINC000072377576 494159221 /nfs/dbraw/zinc/15/92/21/494159221.db2.gz LHFVSVKOXZQIIZ-GOSISDBHSA-N 1 0 360.465 3.432 40 0 FGABRO C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)COCCOC23CC4CC(CC(C4)C2)C3)C1 ZINC000041689921 494174047 /nfs/dbraw/zinc/17/40/47/494174047.db2.gz LDSVOMWXCKXKQC-LHZZTNLPSA-N 1 0 365.558 3.327 40 0 FGABRO COc1ccccc1OCCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000073024161 494307428 /nfs/dbraw/zinc/30/74/28/494307428.db2.gz NNGDWJFMMRFIQK-UHFFFAOYSA-N 1 0 354.450 3.100 40 0 FGABRO O=C(CCc1[nH]nc2c1CCCC2)N1CCCC[C@H]1C[NH+]1CCCCCC1 ZINC000019014948 494434482 /nfs/dbraw/zinc/43/44/82/494434482.db2.gz HWYXFXQODGEJLV-SFHVURJKSA-N 1 0 372.557 3.478 40 0 FGABRO CC(=O)N1CCc2nc([C@H]3CCCC[N@@H+]3CC3CCCCC3)ncc2C1 ZINC000019018262 494434823 /nfs/dbraw/zinc/43/48/23/494434823.db2.gz MWRHSBIGSZQLDC-HXUWFJFHSA-N 1 0 356.514 3.489 40 0 FGABRO Cc1ccc([C@@H](C)C(=O)N2CCCC[C@H]2c2ncc3c(n2)CC[NH2+]C3)cc1 ZINC000019136107 494436848 /nfs/dbraw/zinc/43/68/48/494436848.db2.gz WLSUASXLJKKMGQ-UZLBHIALSA-N 1 0 364.493 3.288 40 0 FGABRO O=c1cc([C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)C2)nc(-c2ccncc2)[nH]1 ZINC000019292844 494440838 /nfs/dbraw/zinc/44/08/38/494440838.db2.gz XENLCXATLAKEKJ-OAHLLOKOSA-N 1 0 368.387 3.100 40 0 FGABRO Cn1cc([C@@H]2CN(C(=O)c3ccccc3F)C[C@H]2[NH+](C)C)c2ccccc21 ZINC000019290459 494440907 /nfs/dbraw/zinc/44/09/07/494440907.db2.gz UMEMOGZLXNNKJJ-GHTZIAJQSA-N 1 0 365.452 3.487 40 0 FGABRO O=C(c1cc(C2CC2)on1)N1CCC[C@H]2[NH2+]C[C@H](c3ccc(F)cc3)[C@H]21 ZINC000019336373 494442183 /nfs/dbraw/zinc/44/21/83/494442183.db2.gz ADAMKEPZGZYCSR-GPMSIDNRSA-N 1 0 355.413 3.051 40 0 FGABRO COCC(=O)N1CCC(c2[nH+]c3ccc(F)cn3c2NC2CCCC2)CC1 ZINC000019592735 494451579 /nfs/dbraw/zinc/45/15/79/494451579.db2.gz JJEXTPYBXZLWGF-UHFFFAOYSA-N 1 0 374.460 3.180 40 0 FGABRO O=C(c1cnc(-c2ccc(Cl)cc2)nc1)N1CCC([NH+]2CCCC2)CC1 ZINC000019662141 494453923 /nfs/dbraw/zinc/45/39/23/494453923.db2.gz OKUYVKKJXBCVKW-UHFFFAOYSA-N 1 0 370.884 3.497 40 0 FGABRO CC[NH+](CC)C1CCN(C(=O)c2cc(-n3cccn3)ccc2Cl)CC1 ZINC000019715179 494457092 /nfs/dbraw/zinc/45/70/92/494457092.db2.gz LOWAAOMSYCFSAK-UHFFFAOYSA-N 1 0 360.889 3.472 40 0 FGABRO CN1CCC([N@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(-c5cccs5)c43)C2)CC1 ZINC000020503400 494475200 /nfs/dbraw/zinc/47/52/00/494475200.db2.gz QLPKHAWDBPBDEK-JKSUJKDBSA-N 1 0 369.534 3.090 40 0 biogenic,in-vitro FGABRO c1cncc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOCc2ccncc2)c1 ZINC000247819488 496918676 /nfs/dbraw/zinc/91/86/76/496918676.db2.gz CMRARAQNICGHJQ-OAQYLSRUSA-N 1 0 367.493 3.455 40 0 FGABRO Cc1ccc(S(=O)(=O)[C@H]2[C@@H]([NH3+])[C@@H]2c2ccc(Br)cc2)cc1 ZINC000218232908 497001390 /nfs/dbraw/zinc/00/13/90/497001390.db2.gz WZSVTYVQNACFCI-HRCADAONSA-N 1 0 366.280 3.025 40 0 FGABRO Fc1cc(Br)ccc1NC(=S)NCCC[NH+]1CCCC1 ZINC000225433816 497062883 /nfs/dbraw/zinc/06/28/83/497062883.db2.gz IMZCURMIRCMXGL-UHFFFAOYSA-N 1 0 360.296 3.361 40 0 FGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1cccc(C(=O)OC)c1 ZINC000225582771 497068686 /nfs/dbraw/zinc/06/86/86/497068686.db2.gz FNORTJZPLVCAQG-KRWDZBQOSA-N 1 0 363.527 3.414 40 0 FGABRO CCOC[C@]1(C[NH3+])[C@@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000252516843 497309481 /nfs/dbraw/zinc/30/94/81/497309481.db2.gz XFDUMIFOQNTHGJ-PWRODBHTSA-N 1 0 373.518 3.170 40 0 FGABRO O=C(/C=C/c1cccs1)NCC1CC[NH+](C2CCSCC2)CC1 ZINC000245053647 497374131 /nfs/dbraw/zinc/37/41/31/497374131.db2.gz PEMLCPKONMIFKT-UHFFFAOYSA-N 1 0 350.553 3.485 40 0 FGABRO Cc1cccnc1Nc1cc([C@@H]2CCCN2Cc2ccnn2C)nc(C)n1 ZINC000257222709 497392026 /nfs/dbraw/zinc/39/20/26/497392026.db2.gz DUKFFTZKRGAIEM-SFHVURJKSA-N 1 0 363.469 3.303 40 0 FGABRO COc1cccc(-c2cc(C(=O)N3CCC[C@@]4(C)[C@@H]3CCC[N@@H+]4C)on2)c1 ZINC000257248996 497395129 /nfs/dbraw/zinc/39/51/29/497395129.db2.gz JGFQVLKWROCWKQ-FPOVZHCZSA-N 1 0 369.465 3.439 40 0 FGABRO CCc1nccn1CC(=O)N1C[C@@H]2CC[C@H](Oc3ccccc3Cl)[C@@H]2C1 ZINC000257262632 497396144 /nfs/dbraw/zinc/39/61/44/497396144.db2.gz LMDMHFHPKGEYCK-UXLLHSPISA-N 1 0 373.884 3.415 40 0 FGABRO Cc1c[nH]c(-c2cc(C[C@@H]3CC[N@H+](Cc4ccc(F)cc4)C3)ncn2)n1 ZINC000257272037 497397627 /nfs/dbraw/zinc/39/76/27/497397627.db2.gz NAVKAPRFOZXBNM-INIZCTEOSA-N 1 0 351.429 3.379 40 0 FGABRO Cc1noc(C)c1-c1cc(C2CC[NH+](Cc3cncnc3)CC2)nc(C)n1 ZINC000257282483 497399083 /nfs/dbraw/zinc/39/90/83/497399083.db2.gz OTXQSXHXWRORRY-UHFFFAOYSA-N 1 0 364.453 3.226 40 0 FGABRO C[N@H+](Cc1cnc[nH]1)[C@H]1CC[C@@]2(C)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O ZINC000257325986 497403890 /nfs/dbraw/zinc/40/38/90/497403890.db2.gz WVHJZTZASQRXRC-OCVXTVMPSA-N 1 0 369.509 3.476 40 0 FGABRO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000332306884 498643197 /nfs/dbraw/zinc/64/31/97/498643197.db2.gz MEGIXGATGAPICQ-MAUKXSAKSA-N 1 0 362.495 3.262 40 0 FGABRO O=C(C1CC1)N1Cc2ccccc2[C@@H](c2nccn2Cc2cccnc2)C1 ZINC000306124493 498737027 /nfs/dbraw/zinc/73/70/27/498737027.db2.gz BRNDCQJKYBZXTA-FQEVSTJZSA-N 1 0 358.445 3.211 40 0 FGABRO c1ccc(C[N@H+]2CC[C@@]3(CN(Cc4cccnc4)c4cccnc43)C2)nc1 ZINC000306130760 498737847 /nfs/dbraw/zinc/73/78/47/498737847.db2.gz JORARVCHTMBVGO-QFIPXVFZSA-N 1 0 357.461 3.036 40 0 FGABRO c1ccc(CN2C[C@]3(CC[N@H+](Cc4ccccn4)C3)c3ncccc32)nc1 ZINC000306140328 498739870 /nfs/dbraw/zinc/73/98/70/498739870.db2.gz UQAOFNYCKQFLOY-JOCHJYFZSA-N 1 0 357.461 3.036 40 0 FGABRO CC(C)[C@@H](CO)Nc1nc(NCc2cccc(Cl)c2)cc(C2CC2)[nH+]1 ZINC000329005188 499012684 /nfs/dbraw/zinc/01/26/84/499012684.db2.gz KWQVRSULUWCUDD-QGZVFWFLSA-N 1 0 360.889 3.470 40 0 FGABRO COc1ccccc1C(=O)N1CCC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408613041 499593054 /nfs/dbraw/zinc/59/30/54/499593054.db2.gz WRKTZPJBOAWZAK-LJQANCHMSA-N 1 0 350.462 3.358 40 0 FGABRO Cc1ccncc1C[N@@H+]1CCC[C@H](c2ccnc(Nc3cnccn3)c2)C1 ZINC000585182519 507580257 /nfs/dbraw/zinc/58/02/57/507580257.db2.gz XFPVNLKOMIXARD-SFHVURJKSA-N 1 0 360.465 3.120 40 0 FGABRO CC(=O)N1CCCC[C@H]2[C@@H]1CC[N@@H+]2C[C@@]1(O)CC[C@H](C(C)(C)C)CC1 ZINC000585283209 507584385 /nfs/dbraw/zinc/58/43/85/507584385.db2.gz LVHRNIBCYDJREV-VNYTWHDVSA-N 1 0 350.547 3.429 40 0 FGABRO CCN1C(=O)CCC[C@H]2[C@@H]1CC[N@@H+]2C[C@@]1(O)CC[C@H](C(C)(C)C)CC1 ZINC000585284440 507584429 /nfs/dbraw/zinc/58/44/29/507584429.db2.gz SGJNWHFOCZOYFV-RYLXDESZSA-N 1 0 350.547 3.429 40 0 FGABRO O[C@]1(COc2ccc(F)c(Cl)c2)COCC[N@@H+](C2CCCCC2)C1 ZINC000585284616 507584868 /nfs/dbraw/zinc/58/48/68/507584868.db2.gz YVGCOPSLZTWMGJ-SFHVURJKSA-N 1 0 357.853 3.254 40 0 FGABRO COc1cc(Br)c(C[NH2+]CCc2ccc(O)cc2)cc1O ZINC000020518178 522022427 /nfs/dbraw/zinc/02/24/27/522022427.db2.gz JBFKJIRYXUAQSW-UHFFFAOYSA-N 1 0 352.228 3.201 40 0 FGABRO CC[C@@H]1C[N@H+](C)[C@@H]2Cc3c4ccccc4[nH]c3C(=O)C[C@@H]1[C@@H]2C(=O)OC ZINC000005923369 210180212 /nfs/dbraw/zinc/18/02/12/210180212.db2.gz FFVRRQMGGGTQRH-DLHOMVGQSA-N 1 0 354.450 3.042 40 0 in-vitro FGABRO c1csc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4ccncc4)C2)OC3)c1 ZINC000306141338 210057682 /nfs/dbraw/zinc/05/76/82/210057682.db2.gz VSQJAYIGROXWEH-IBGZPJMESA-N 1 0 352.463 3.182 40 0 FGABRO c1cc(C[N@@H+]2CCC[C@H](c3nc4ccc(N5CCCC5)cn4n3)C2)ccn1 ZINC000306142070 210057015 /nfs/dbraw/zinc/05/70/15/210057015.db2.gz WOPHGRZTXYVRBN-SFHVURJKSA-N 1 0 362.481 3.104 40 0 FGABRO C[N@@H+](Cc1cccnc1)C[C@@H]1CCC2(CN(C(=O)C3=CCCCC3)C2)OC1 ZINC000306141920 210056888 /nfs/dbraw/zinc/05/68/88/210056888.db2.gz WJZXBBGVJFIVRX-IBGZPJMESA-N 1 0 369.509 3.021 40 0 FGABRO c1ncn2c1CN(Cc1ccc3ccccc3n1)C[C@H]2C[NH+]1CCCCC1 ZINC000306134107 210054184 /nfs/dbraw/zinc/05/41/84/210054184.db2.gz NDRCEOHGGVDFPH-OAQYLSRUSA-N 1 0 361.493 3.474 40 0 FGABRO COC(=O)c1ccc(Cl)c(NC(=S)NCCC[NH+]2CCCCC2)c1 ZINC000225410491 222839070 /nfs/dbraw/zinc/83/90/70/222839070.db2.gz AQUULLCBCMFXOD-UHFFFAOYSA-N 1 0 369.918 3.289 40 0 FGABRO Cc1nc(C[C@H]2CCC[N@H+](Cc3ccsc3)C2)cc(C(=O)N(C)C)n1 ZINC000257225834 223028356 /nfs/dbraw/zinc/02/83/56/223028356.db2.gz FIBPHVVBVHDNOI-OAHLLOKOSA-N 1 0 358.511 3.003 40 0 FGABRO Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@H](Cc3cncc4ccccc43)C2)cn1 ZINC000257284053 223049707 /nfs/dbraw/zinc/04/97/07/223049707.db2.gz PBBOIBAUGAQCSB-SFHVURJKSA-N 1 0 374.488 3.185 40 0 FGABRO Cc1ncsc1-c1cc(C(=O)N2CCC[C@]3(C)[NH2+]CCC[C@@H]23)ccn1 ZINC000257302558 223057453 /nfs/dbraw/zinc/05/74/53/223057453.db2.gz SDJFTLLGJVGLOA-APWZRJJASA-N 1 0 356.495 3.260 40 0 FGABRO COCC(=O)N1CC[C@@H](c2cc(Nc3ccc(OC)cc3)cc(C)[nH+]2)C1 ZINC000257332610 223069433 /nfs/dbraw/zinc/06/94/33/223069433.db2.gz XYADWNVLOJFDLF-OAHLLOKOSA-N 1 0 355.438 3.105 40 0 FGABRO Cc1ccccc1CC(=O)N1C[C@@H]2c3ncc(-c4ccncc4)n3C[C@@H]2C1 ZINC000306137265 223112137 /nfs/dbraw/zinc/11/21/37/223112137.db2.gz QRDTZXAKXIZQPI-OALUTQOASA-N 1 0 358.445 3.052 40 0 FGABRO C[C@@H]1CCC[N@H+](CCCNC(=O)COc2cccc(C(F)(F)F)c2)C1 ZINC000058955113 212015700 /nfs/dbraw/zinc/01/57/00/212015700.db2.gz SVUIIHYJGKSGOH-CQSZACIVSA-N 1 0 358.404 3.322 40 0 FGABRO COc1ccc(SCC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000020036511 211265603 /nfs/dbraw/zinc/26/56/03/211265603.db2.gz YIVHIUJCXMJDAO-HZPDHXFCSA-N 1 0 350.528 3.272 40 0 FGABRO COCCc1ncc(C[NH2+][C@@H]2[C@H]3CCC[C@@H]3[C@H]2c2ccc(OC)cc2)cn1 ZINC000019593862 211240081 /nfs/dbraw/zinc/24/00/81/211240081.db2.gz ZKZGUBXMSZHZFR-SEIRJHJZSA-N 1 0 367.493 3.346 40 0 FGABRO C[NH+](C)Cc1cc(-c2ccccc2F)nn1CCNC(=O)C1CCCC1 ZINC000019583427 211239074 /nfs/dbraw/zinc/23/90/74/211239074.db2.gz QRHBUASRUKIRLR-UHFFFAOYSA-N 1 0 358.461 3.057 40 0 FGABRO Cc1nn(C)cc1C[N@@H+]1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000019583832 211238859 /nfs/dbraw/zinc/23/88/59/211238859.db2.gz QBLZOKUORGPTOI-HNNXBMFYSA-N 1 0 360.845 3.127 40 0 FGABRO Cc1noc(C)c1CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000019580478 211238558 /nfs/dbraw/zinc/23/85/58/211238558.db2.gz IHYORKLJWWURTH-FQEVSTJZSA-N 1 0 355.482 3.423 40 0 FGABRO COc1ccc(-c2cc(C(=O)NC(C)(C)C[NH+]3CCCCC3)no2)cc1 ZINC000019661067 211242384 /nfs/dbraw/zinc/24/23/84/211242384.db2.gz SJPBQIUUELQRBF-UHFFFAOYSA-N 1 0 357.454 3.345 40 0 FGABRO CC(C)c1cc(C(=O)N2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)cs1 ZINC000019452204 211224001 /nfs/dbraw/zinc/22/40/01/211224001.db2.gz BJMKLJWVPYFJOQ-INIZCTEOSA-N 1 0 356.495 3.285 40 0 FGABRO COc1ccc2c(c1)C=C(CN1C[C@@H]3CCC[N@@H+]3C[C@@H]1CCSC)CO2 ZINC000019562279 211233946 /nfs/dbraw/zinc/23/39/46/211233946.db2.gz FWRWUFOWGFYNOE-OALUTQOASA-N 1 0 374.550 3.373 40 0 FGABRO COc1cccc(CN2C[C@H](c3cccc(OC)c3)[C@H]3[NH2+]CCC[C@H]32)c1 ZINC000019565495 211232585 /nfs/dbraw/zinc/23/25/85/211232585.db2.gz KQEXJLCZOBKVHH-YPAWHYETSA-N 1 0 352.478 3.424 40 0 FGABRO COc1ccc(CN2CC[NH+]([C@H]3C[C@H]4CC[C@@H]3C4)CC2)c(OC)c1OC ZINC000019552800 211231564 /nfs/dbraw/zinc/23/15/64/211231564.db2.gz HNQGOVXRLJJCDW-JZXOWHBKSA-N 1 0 360.498 3.019 40 0 FGABRO Cn1nc(C2CC[NH+](Cc3cccc4ncccc34)CC2)c2nccnc21 ZINC000019289449 211210984 /nfs/dbraw/zinc/21/09/84/211210984.db2.gz NWCVHFCYHIVFGA-UHFFFAOYSA-N 1 0 358.449 3.291 40 0 FGABRO Cn1cnc(C(=O)N2CCCCC[C@@H]3[C@@H]2[C@H](c2cccc(F)c2)C[N@@H+]3C)c1 ZINC000019290782 211210998 /nfs/dbraw/zinc/21/09/98/211210998.db2.gz FALLLZMVCNSRFP-SXLOBPIMSA-N 1 0 370.472 3.042 40 0 FGABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccc(F)cc1 ZINC000019374903 211220988 /nfs/dbraw/zinc/22/09/88/211220988.db2.gz VSBHTGOEVXWQNB-MOPGFXCFSA-N 1 0 357.425 3.210 40 0 FGABRO O=C(NC1CC[NH+](Cc2cccc(F)c2)CC1)[C@H]1OCOc2ccccc21 ZINC000019375078 211220053 /nfs/dbraw/zinc/22/00/53/211220053.db2.gz KQNYBWQFYHYLMT-FQEVSTJZSA-N 1 0 370.424 3.014 40 0 FGABRO O[C@@H]1C[C@H]2CN(Cc3cccc(Cl)c3)[C@H](Cc3ccccc3)C[N@@H+]2C1 ZINC000019372768 211218291 /nfs/dbraw/zinc/21/82/91/211218291.db2.gz BOEPSUUHEHAJOV-QHAWAJNXSA-N 1 0 356.897 3.202 40 0 FGABRO Fc1ccc(-c2cc(C[NH2+]Cc3ccccc3F)c3nnnn3c2)cc1 ZINC000019349552 211217583 /nfs/dbraw/zinc/21/75/83/211217583.db2.gz OTSWPBNBYQUSSA-UHFFFAOYSA-N 1 0 351.360 3.359 40 0 FGABRO c1cnc2cccc(C[N@@H+]3CC[C@@H](c4nnc(-c5cnccn5)o4)C3)c2c1 ZINC000019293249 211213959 /nfs/dbraw/zinc/21/39/59/211213959.db2.gz IVQGPYYNWGDQEG-OAHLLOKOSA-N 1 0 358.405 3.064 40 0 FGABRO CCOc1cc(C[NH2+][C@@H](C)c2ccccc2)c(Cl)cc1OCC(N)=O ZINC000036612933 211125581 /nfs/dbraw/zinc/12/55/81/211125581.db2.gz FZIPBKMZGIZFKE-ZDUSSCGKSA-N 1 0 362.857 3.454 40 0 FGABRO CC[NH+](CC)CCCNc1c(C)c(C)nc2cc(-c3cc(C)on3)nn21 ZINC000012251565 210933922 /nfs/dbraw/zinc/93/39/22/210933922.db2.gz PBXAHMHKHKRIEW-UHFFFAOYSA-N 1 0 356.474 3.453 40 0 FGABRO CNc1cc(C)[nH+]c([C@@H]2CN(C(=O)C3CCC(F)(F)CC3)CCO2)c1 ZINC000257261380 533046843 /nfs/dbraw/zinc/04/68/43/533046843.db2.gz LHARPCMLTSUKDL-INIZCTEOSA-N 1 0 353.413 3.157 40 0 FGABRO Cc1cc2c(s1)CC[C@@H](C[NH2+][C@H]1CC[C@H](Oc3ccccc3)[C@H]1O)C2=O ZINC000002014159 210377381 /nfs/dbraw/zinc/37/73/81/210377381.db2.gz IMKMRGOTDDUQHF-YRFFXBIPSA-N 1 0 371.502 3.362 40 0 in-man FGABRO CNc1ncccc1C[NH+]1CCC(c2cc(C)n3nc(C)cc3n2)CC1 ZINC000257342142 533089575 /nfs/dbraw/zinc/08/95/75/533089575.db2.gz ZNGDZASCHODTKS-UHFFFAOYSA-N 1 0 350.470 3.162 40 0 FGABRO COc1ccc(CN2CCC[C@H]2c2nc(C)ncc2C[NH+](C)C)c(F)c1 ZINC000257293329 533559572 /nfs/dbraw/zinc/55/95/72/533559572.db2.gz QPAGJHUZACQFAL-IBGZPJMESA-N 1 0 358.461 3.331 40 0 FGABRO Cc1cccc(CCN2C(=O)CCc3c(C)nc([C@@H]4CCC[NH2+]C4)nc32)c1 ZINC000257232551 132294947 /nfs/dbraw/zinc/29/49/47/132294947.db2.gz GLIWUDVRHYWDRD-GOSISDBHSA-N 1 0 364.493 3.082 40 0 FGABRO COC(=O)c1ccc2c(c1)CCN(c1cc(C)[nH+]c(NC3CCCC3)n1)C2 ZINC000329050083 132372941 /nfs/dbraw/zinc/37/29/41/132372941.db2.gz USVPULIIYXAODJ-UHFFFAOYSA-N 1 0 366.465 3.489 40 0 FGABRO Cc1ccc2c(c1)[nH]cc2[C@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000019219743 136152251 /nfs/dbraw/zinc/15/22/51/136152251.db2.gz LYOJFYJHOWOXEL-OAQYLSRUSA-N 1 0 353.441 3.471 40 0 FGABRO O=C1[C@@H]2C[C@@H](C[N@@H+]2C2CCCC2)Oc2ccccc2N1Cc1ccccn1 ZINC000096111855 222029575 /nfs/dbraw/zinc/02/95/75/222029575.db2.gz HNZLFVZQPZKSJJ-ICSRJNTNSA-N 1 0 363.461 3.393 40 0 biogenic,in-vitro FGABRO Cn1cc(C[N@@H+]2CCC[C@@]3(CCC(=O)N3Cc3cccc(F)c3)CC2)cn1 ZINC000096047550 222000305 /nfs/dbraw/zinc/00/03/05/222000305.db2.gz BXNAJNNGGCGOGX-OAQYLSRUSA-N 1 0 370.472 3.107 40 0 FGABRO COc1cccc(CN2CC[C@@]3(CC[N@H+](Cc4cccs4)C3)C2=O)c1 ZINC000096050652 222000578 /nfs/dbraw/zinc/00/05/78/222000578.db2.gz FMJOYYQELBYBEK-HXUWFJFHSA-N 1 0 356.491 3.381 40 0 FGABRO COc1ccc(C[NH+]2CCC3(CCC(=O)N3Cc3cccnc3)CC2)cc1 ZINC000096049379 222002035 /nfs/dbraw/zinc/00/20/35/222002035.db2.gz ONYKPQKLXWNJHP-UHFFFAOYSA-N 1 0 365.477 3.247 40 0 FGABRO CNC(=O)C[C@H]1CC2(CC[NH+](Cc3ccoc3)CC2)Oc2ccccc21 ZINC000096053246 222003779 /nfs/dbraw/zinc/00/37/79/222003779.db2.gz QIICLJHSQKAHOP-KRWDZBQOSA-N 1 0 354.450 3.317 40 0 FGABRO CNC(=O)[C@H]1CC2(CC[NH+](Cc3csc(C)n3)CC2)c2ccccc21 ZINC000096079294 222015561 /nfs/dbraw/zinc/01/55/61/222015561.db2.gz PGEJMFHMRDYTRW-KRWDZBQOSA-N 1 0 355.507 3.219 40 0 FGABRO c1ccc2c(c1)N(C[C@H]1CCCO1)CC21CCN(CC[NH+]2CCCC2)CC1 ZINC000096241336 222097118 /nfs/dbraw/zinc/09/71/18/222097118.db2.gz CYWVTVNIPVIPDE-HXUWFJFHSA-N 1 0 369.553 3.115 40 0 FGABRO COc1cccc(-c2nn(C)c3c2[C@H]2C[N@H+](Cc4nccs4)C[C@H]2C3)c1 ZINC000096145654 222047627 /nfs/dbraw/zinc/04/76/27/222047627.db2.gz SFXXVOSMFMLBPP-ZBFHGGJFSA-N 1 0 366.490 3.324 40 0 FGABRO CCc1ccc(C(=O)N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)cc1 ZINC000096220097 222084402 /nfs/dbraw/zinc/08/44/02/222084402.db2.gz HJLQCIFCCHIZKG-RBBKRZOGSA-N 1 0 356.510 3.070 40 0 FGABRO CCOC(=O)N1CCC([NH+]2CCC3(CNc4ccc(F)cc43)CC2)CC1 ZINC000097463378 222181711 /nfs/dbraw/zinc/18/17/11/222181711.db2.gz CVBQGVGUQPCHIU-UHFFFAOYSA-N 1 0 361.461 3.206 40 0 FGABRO COc1cc2c(cc1OC)[C@@H](c1cc3c(C)ccc(C)c3[nH]c1=O)[NH2+]CC2 ZINC000035316181 494075494 /nfs/dbraw/zinc/07/54/94/494075494.db2.gz BCMIUYFHCIPIJU-NRFANRHFSA-N 1 0 364.445 3.397 40 0 FGABRO c1cc(-c2noc([C@@H]3CCC[N@@H+]3C3CCOCC3)n2)cc(N2CCCC2)n1 ZINC000035426341 494076026 /nfs/dbraw/zinc/07/60/26/494076026.db2.gz FCTMCPHMKXAVFE-KRWDZBQOSA-N 1 0 369.469 3.048 40 0 biogenic,in-vitro FGABRO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@](O)(c4ccc(F)cc4)[C@@H]3C2)cc1O ZINC000036739988 494097907 /nfs/dbraw/zinc/09/79/07/494097907.db2.gz DRWDJBPALHWASJ-KLHJMIIUSA-N 1 0 357.425 3.270 40 0 FGABRO CCN(CC)C(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(-c2ccccc2)on1 ZINC000008623610 494098091 /nfs/dbraw/zinc/09/80/91/494098091.db2.gz DBEDHASQTUTYLE-ROUUACIJSA-N 1 0 355.482 3.368 40 0 biogenic,in-vitro FGABRO COC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000009062719 494112919 /nfs/dbraw/zinc/11/29/19/494112919.db2.gz AWGXFRNHOACYSB-UHFFFAOYSA-N 1 0 370.424 3.463 40 0 FGABRO COc1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000038848883 494118479 /nfs/dbraw/zinc/11/84/79/494118479.db2.gz ATRAEAQJQRXOBN-GOSISDBHSA-N 1 0 356.441 3.363 40 0 FGABRO CC[N@@H+]1CCC[C@@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216393 494144714 /nfs/dbraw/zinc/14/47/14/494144714.db2.gz AFRQBMMCVUZAQM-QGZVFWFLSA-N 1 0 360.502 3.296 40 0 FGABRO CCn1ncc(C[N@@H+]2C[C@H]3CCC[C@](O)(c4ccc(F)cc4)[C@@H]3C2)c1C ZINC000072340440 494153880 /nfs/dbraw/zinc/15/38/80/494153880.db2.gz LXHRRDLKTCIKNR-HBGVWJBISA-N 1 0 357.473 3.470 40 0 FGABRO Cc1nccn1-c1cncc([C@@H]2CCC[N@H+](CCOc3ccccc3)C2)n1 ZINC000072355572 494157026 /nfs/dbraw/zinc/15/70/26/494157026.db2.gz MHFXLIFLZKZMBS-GOSISDBHSA-N 1 0 363.465 3.229 40 0 FGABRO OCc1ccc(-c2cncc([C@@H]3CCC[N@H+](Cc4ccccn4)C3)n2)cc1 ZINC000072359432 494157532 /nfs/dbraw/zinc/15/75/32/494157532.db2.gz XOOPQBDIPBNAQR-LJQANCHMSA-N 1 0 360.461 3.411 40 0 FGABRO COCC[N@@H+]1CCC[C@@H](c2nccnc2Oc2ccc(NC(C)=O)cc2)C1 ZINC000072361790 494158802 /nfs/dbraw/zinc/15/88/02/494158802.db2.gz DGVASTXDVSGFIK-MRXNPFEDSA-N 1 0 370.453 3.053 40 0 FGABRO c1ccc(-c2cc(CNCCC[NH+]3CCCCCC3)c3nnnn3c2)cc1 ZINC000012224340 494216022 /nfs/dbraw/zinc/21/60/22/494216022.db2.gz KCULUWYEZHWMHB-UHFFFAOYSA-N 1 0 364.497 3.147 40 0 FGABRO Cc1cnc(-c2nc(C3CC[NH+](Cc4cccc(F)c4)CC3)no2)cn1 ZINC000012337358 494225636 /nfs/dbraw/zinc/22/56/36/494225636.db2.gz HGIOJQIESGZPDW-UHFFFAOYSA-N 1 0 353.401 3.354 40 0 FGABRO C=Cn1cc(C[NH+]2CCC(NC(C)=O)(c3ccccc3F)CC2)c(C)n1 ZINC000012344386 494226936 /nfs/dbraw/zinc/22/69/36/494226936.db2.gz HDOWUCABYZIVGR-UHFFFAOYSA-N 1 0 356.445 3.059 40 0 FGABRO CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCC[C@@](O)(c2ccc(F)cc2)CC1 ZINC000019500946 494446252 /nfs/dbraw/zinc/44/62/52/494446252.db2.gz ZLPHSYRSKUEUAT-FPOVZHCZSA-N 1 0 362.489 3.290 40 0 FGABRO COc1ccc(C[N@@H+]2CC[C@]3(C[C@@H](Nc4ncccc4F)CO3)C2)cc1 ZINC000107728595 494591381 /nfs/dbraw/zinc/59/13/81/494591381.db2.gz JUBQICUQWMOVFS-UZLBHIALSA-N 1 0 357.429 3.075 40 0 FGABRO COc1ccccc1C[NH2+][C@H]1C[C@@H](Cc2cc(CN(C)C)on2)C1(C)C ZINC000067890215 494684308 /nfs/dbraw/zinc/68/43/08/494684308.db2.gz KAQKZLALRFZOCF-UZLBHIALSA-N 1 0 357.498 3.492 40 0 biogenic,in-vitro FGABRO Cc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@@H+]3C[C@H]3CCOC3)cc2n1 ZINC000247813517 496917815 /nfs/dbraw/zinc/91/78/15/496917815.db2.gz BAZADTNOPZEOSW-TZMCWYRMSA-N 1 0 354.376 3.230 40 0 FGABRO CC(=O)N1C[C@H](COCC2CC2)C2(C1)CC[NH+](Cc1ccccc1C)CC2 ZINC000248157799 496965761 /nfs/dbraw/zinc/96/57/61/496965761.db2.gz MTTPUGMRTRPSSS-JOCHJYFZSA-N 1 0 370.537 3.482 40 0 FGABRO Cc1ccccc1NC(=S)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000225212308 497058122 /nfs/dbraw/zinc/05/81/22/497058122.db2.gz DGHVJFPLMFEVID-UHFFFAOYSA-N 1 0 351.519 3.477 40 0 FGABRO CCn1ncc(NC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)c1C(F)(F)F ZINC000333342768 498986660 /nfs/dbraw/zinc/98/66/60/498986660.db2.gz PYIIUAVFNPVIBF-OCCSQVGLSA-N 1 0 373.423 3.308 40 0 FGABRO COc1ccc(C[NH+]2CC3(C2)C[C@@H](OCc2ccccn2)CS3)cc1 ZINC000585105369 507572319 /nfs/dbraw/zinc/57/23/19/507572319.db2.gz VJCAFFZFVSOKJZ-LJQANCHMSA-N 1 0 356.491 3.367 40 0 FGABRO Cc1ncsc1C[N@H+]1CCC[C@H](c2cc(-c3nccn3C)nc(C)n2)C1 ZINC000585178828 507580139 /nfs/dbraw/zinc/58/01/39/507580139.db2.gz GWOKQHSJAVYODC-HNNXBMFYSA-N 1 0 368.510 3.330 40 0 FGABRO CC1(C)CCC([N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(F)ccc3F)C2)CC1 ZINC000585282471 507584555 /nfs/dbraw/zinc/58/45/55/507584555.db2.gz KRPKQIUEICFMSH-ICSRJNTNSA-N 1 0 369.452 3.110 40 0 FGABRO COc1ccccc1CC(=O)N1CCCC[C@H]1c1nc(C)cc2c[nH+]cn21 ZINC000257333993 534007633 /nfs/dbraw/zinc/00/76/33/534007633.db2.gz YEBCWTZYNZGLBL-SFHVURJKSA-N 1 0 364.449 3.343 40 0 FGABRO C[C@H](Nc1ncc(C(=O)Nc2ccccc2)c(CC[NH3+])n1)c1ccccc1 ZINC000257203016 534031832 /nfs/dbraw/zinc/03/18/32/534031832.db2.gz AOHVOZYECDWYSC-HNNXBMFYSA-N 1 0 361.449 3.403 40 0 FGABRO Cc1ccc(-c2cc(C(=O)N3C[C@@H]4C[C@@]5(C)[C@H](CCC[C@@H]35)[NH2+]4)[nH]n2)cc1 ZINC000257301368 534174035 /nfs/dbraw/zinc/17/40/35/534174035.db2.gz RYFBCNZFGPROIJ-RMYQPGKMSA-N 1 0 350.466 3.130 40 0 FGABRO c1cc(-c2cnc3n2C[C@]2(CC[N@@H+](Cc4ccccn4)C2)OC3)cs1 ZINC000306137389 534465193 /nfs/dbraw/zinc/46/51/93/534465193.db2.gz QVCKFRSDXLSZQR-LJQANCHMSA-N 1 0 352.463 3.182 40 0 FGABRO COc1ccc(SCC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000020036515 525101849 /nfs/dbraw/zinc/10/18/49/525101849.db2.gz YIVHIUJCXMJDAO-HOTGVXAUSA-N 1 0 350.528 3.272 40 0 FGABRO CC[N@H+](C)[C@H]1CN(C(=O)COc2ccccc2OC)C2(C1)CCCCC2 ZINC000257237787 527864455 /nfs/dbraw/zinc/86/44/55/527864455.db2.gz HIEVGUDHONYREP-QGZVFWFLSA-N 1 0 360.498 3.330 40 0 FGABRO C[N@@H+]1CCN(Cc2cscn2)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257341926 529775156 /nfs/dbraw/zinc/77/51/56/529775156.db2.gz ZMLWXRBRAWYOFB-INIZCTEOSA-N 1 0 352.507 3.298 40 0 FGABRO CCOc1ccc(Nc2cc(C(F)(F)F)nc(NCC[NH+](C)C)n2)cc1 ZINC000329054028 210133804 /nfs/dbraw/zinc/13/38/04/210133804.db2.gz VJDIPPAPRKPQSH-UHFFFAOYSA-N 1 0 369.391 3.033 40 0 FGABRO Cc1cc(C)cc(Nc2cc(C(F)(F)F)nc(NCCC[NH+](C)C)n2)c1 ZINC000329026631 210130359 /nfs/dbraw/zinc/13/03/59/210130359.db2.gz POCOJCQLTJPTOI-UHFFFAOYSA-N 1 0 367.419 3.063 40 0 FGABRO CSc1cccc(Nc2cc(C3CC3)nc(NCCC[NH+](C)C)n2)c1 ZINC000328980381 210129287 /nfs/dbraw/zinc/12/92/87/210129287.db2.gz GMALACJWELXVQX-UHFFFAOYSA-N 1 0 357.527 3.027 40 0 FGABRO COc1ccccc1-c1cnc2n1C[C@@]1(CC[N@H+](Cc3cccnc3)C1)C2 ZINC000306143667 210057296 /nfs/dbraw/zinc/05/72/96/210057296.db2.gz YIMBSWNVORRCCR-QFIPXVFZSA-N 1 0 360.461 3.402 40 0 FGABRO Cc1cccc(CS(=O)(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000224615199 222817087 /nfs/dbraw/zinc/81/70/87/222817087.db2.gz IIDDMXRMOAJEOI-UHFFFAOYSA-N 1 0 358.507 3.210 40 0 FGABRO Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@@H]1c1ccnc(Nc2cnccn2)c1 ZINC000257281612 223049755 /nfs/dbraw/zinc/04/97/55/223049755.db2.gz OQCWFBZADQRZEE-GOSISDBHSA-N 1 0 363.469 3.303 40 0 FGABRO Cc1cccnc1Nc1cc(CC2CC[NH+](Cc3cnc[nH]3)CC2)ncn1 ZINC000257298891 223056468 /nfs/dbraw/zinc/05/64/68/223056468.db2.gz RNRXIAKKZJDXGZ-UHFFFAOYSA-N 1 0 363.469 3.101 40 0 FGABRO COc1ccccc1-c1cc(C(=O)N2CCC[C@@H]3[N@H+](C)CCC[C@@]32C)[nH]n1 ZINC000257334303 223069222 /nfs/dbraw/zinc/06/92/22/223069222.db2.gz YFJBYUZKJCOOMP-FPOVZHCZSA-N 1 0 368.481 3.174 40 0 FGABRO CCCCc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)Nc2nccs2)no1 ZINC000015673333 220159265 /nfs/dbraw/zinc/15/92/65/220159265.db2.gz XLHIPGZDHOWCHA-KBPBESRZSA-N 1 0 362.499 3.271 40 0 biogenic,in-vitro FGABRO COc1ccc([C@@H](C)[NH2+]CC(=O)NC[C@H](C)c2ccccc2)cc1OC ZINC000041105115 211768559 /nfs/dbraw/zinc/76/85/59/211768559.db2.gz MBZMUGXRTFJWEK-JKSUJKDBSA-N 1 0 356.466 3.274 40 0 FGABRO Cc1ccc([C@@H](O)C[N@@H+]2CCCN(Cc3ncccc3C)CC2)c(C)c1 ZINC000022887457 211367145 /nfs/dbraw/zinc/36/71/45/211367145.db2.gz PNALMXWLBIBGGR-QFIPXVFZSA-N 1 0 353.510 3.248 40 0 FGABRO COc1ccc2c(c1)OCC(C[N@@H+]1CC[C@](O)(c3ccc(C)cc3)C1)=C2 ZINC000019715759 211249704 /nfs/dbraw/zinc/24/97/04/211249704.db2.gz MLFAGNFDGIPYEK-JOCHJYFZSA-N 1 0 351.446 3.373 40 0 FGABRO Cc1cc(C)n(-c2ccc(C(=O)N3CCCC[C@@H]3CC[NH+](C)C)cc2)n1 ZINC000019714023 211247781 /nfs/dbraw/zinc/24/77/81/211247781.db2.gz VCCNCLHINDLTGC-LJQANCHMSA-N 1 0 354.498 3.436 40 0 FGABRO CC(C)c1nc2c(nnn2C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(=O)[nH]1 ZINC000019453789 211223780 /nfs/dbraw/zinc/22/37/80/211223780.db2.gz WFNNNFOLTKWTQY-CYBMUJFWSA-N 1 0 372.498 3.024 40 0 FGABRO O[C@H](C[NH+]1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1ccc(F)cc1 ZINC000019374907 211221629 /nfs/dbraw/zinc/22/16/29/211221629.db2.gz VSBHTGOEVXWQNB-RBUKOAKNSA-N 1 0 357.425 3.210 40 0 FGABRO CCc1[nH]c(=O)c(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1C ZINC000019521477 211225494 /nfs/dbraw/zinc/22/54/94/211225494.db2.gz BRRJTQFNLJORSU-UHFFFAOYSA-N 1 0 367.493 3.162 40 0 FGABRO Cc1cccnc1[C@]1(O)CC[C@H]2C[N@@H+](Cc3nc4ccccc4n3C)C[C@H]21 ZINC000019237859 211209638 /nfs/dbraw/zinc/20/96/38/211209638.db2.gz PRPBFAKHYIMGJB-JKSBSHDWSA-N 1 0 362.477 3.006 40 0 FGABRO CC(C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019449953 211220512 /nfs/dbraw/zinc/22/05/12/211220512.db2.gz WZLOGCZSUCPQGZ-WOJBJXKFSA-N 1 0 368.452 3.281 40 0 FGABRO c1ccc(-c2cnc(-c3ccncc3)c(C[NH2+]CCN3CCOCC3)c2)cc1 ZINC000019374003 211218592 /nfs/dbraw/zinc/21/85/92/211218592.db2.gz TUZQFEAZARXHII-UHFFFAOYSA-N 1 0 374.488 3.232 40 0 FGABRO Cc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@@H+]3C[C@@H]3CCOC3)cc2n1 ZINC000019116838 211201771 /nfs/dbraw/zinc/20/17/71/211201771.db2.gz BAZADTNOPZEOSW-JSGCOSHPSA-N 1 0 354.376 3.230 40 0 FGABRO COc1ccc(C[NH+]2CCC([C@H](NC(C)=O)c3ccccn3)CC2)cc1 ZINC000019020514 211199952 /nfs/dbraw/zinc/19/99/52/211199952.db2.gz DLBCEYCFMJYFKZ-NRFANRHFSA-N 1 0 353.466 3.180 40 0 FGABRO COc1ccccc1C[N@@H+]1CCC[C@@H](c2cc(N)n3nc(C)cc3n2)C1 ZINC000019129329 211204723 /nfs/dbraw/zinc/20/47/23/211204723.db2.gz NGJINJLYZJVVAZ-OAHLLOKOSA-N 1 0 351.454 3.008 40 0 FGABRO COc1ccc(CC[NH2+]C[C@H](O)COCC2=CC[C@H]3C[C@@H]2C3(C)C)cc1 ZINC000012791975 210995009 /nfs/dbraw/zinc/99/50/09/210995009.db2.gz WLNQZNJOYYZTHB-ZJOUEHCJSA-N 1 0 359.510 3.197 40 0 FGABRO Cc1cc2c(s1)CC[C@H](C[NH2+][C@H]1CC[C@H](Oc3ccccc3)[C@H]1O)C2=O ZINC000002014160 210377163 /nfs/dbraw/zinc/37/71/63/210377163.db2.gz IMKMRGOTDDUQHF-SIHWBGBFSA-N 1 0 371.502 3.362 40 0 in-man FGABRO Cc1nn(C)c(C)c1CCNC(=O)CC1CC[NH+](C2CCCCC2)CC1 ZINC000019748305 220293825 /nfs/dbraw/zinc/29/38/25/220293825.db2.gz COFXJHYGEWQCSI-UHFFFAOYSA-N 1 0 360.546 3.130 40 0 FGABRO CNc1ncccc1C[N@@H+]1CCC[C@@H](c2ccc3c(C)nn(C)c3n2)C1 ZINC000257342852 533089464 /nfs/dbraw/zinc/08/94/64/533089464.db2.gz ZQJHRLPOYKRPBK-OAHLLOKOSA-N 1 0 350.470 3.093 40 0 FGABRO Fc1cccc(-c2cnc3c(N4CC[NH+](C5CCC5)CC4)nccn23)c1 ZINC000306134154 132301438 /nfs/dbraw/zinc/30/14/38/132301438.db2.gz NERNDRAEAKCWQF-UHFFFAOYSA-N 1 0 351.429 3.210 40 0 FGABRO CCc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)nc(N[C@H](C)CC)[nH+]1 ZINC000328986980 132372271 /nfs/dbraw/zinc/37/22/71/132372271.db2.gz HZPQXIIMZOSBFM-HUUCEWRRSA-N 1 0 354.498 3.287 40 0 FGABRO C[NH+](C)CCNc1nc(C2CC2)cc(N2Cc3ccccc3CC2(C)C)n1 ZINC000328993033 132372415 /nfs/dbraw/zinc/37/24/15/132372415.db2.gz IXTTWGXCTAAARV-UHFFFAOYSA-N 1 0 365.525 3.091 40 0 FGABRO CCNc1nc(N2CCc3cc(C(C)(C)O)ccc3C2)cc(C(C)C)[nH+]1 ZINC000329028042 132372724 /nfs/dbraw/zinc/37/27/24/132372724.db2.gz PUCFTCVMPDHHCC-UHFFFAOYSA-N 1 0 354.498 3.244 40 0 FGABRO c1csc(C[NH+]2CCC3(C[C@@H](OCC4CCOCC4)CO3)CC2)c1 ZINC000096106679 222024877 /nfs/dbraw/zinc/02/48/77/222024877.db2.gz JHHMSAJFXQLVTL-QGZVFWFLSA-N 1 0 351.512 3.315 40 0 FGABRO Cc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(Cc4csc(C)n4)C3)C2)s1 ZINC000096050908 222000998 /nfs/dbraw/zinc/00/09/98/222000998.db2.gz VPKFMDQXBCPYJZ-SFHVURJKSA-N 1 0 361.536 3.446 40 0 FGABRO CNC(=O)C[C@H]1CC2(CC[NH+](Cc3ccco3)CC2)Oc2ccccc21 ZINC000096053242 222002438 /nfs/dbraw/zinc/00/24/38/222002438.db2.gz JGKXSWHJJXEAOV-INIZCTEOSA-N 1 0 354.450 3.317 40 0 FGABRO COc1ccc(C[N@@H+]2C[C@@H](N(C)Cc3ccco3)[C@H]3OCCC[C@H]32)cc1 ZINC000096056372 222004977 /nfs/dbraw/zinc/00/49/77/222004977.db2.gz WZSMWRBPVUCVPV-NJYVYQBISA-N 1 0 356.466 3.152 40 0 FGABRO COc1ccc(C[N@H+]2C[C@H]3c4ccccc4[C@H](N4CCOCC4)[C@H]3C2)cc1 ZINC000096058346 222006610 /nfs/dbraw/zinc/00/66/10/222006610.db2.gz XUWJYAMPVSLSAJ-VABKMULXSA-N 1 0 364.489 3.298 40 0 FGABRO Cc1nc(CN2CCOC[C@@]3(CC[N@H+](Cc4cccs4)C3)C2)cs1 ZINC000096062401 222009662 /nfs/dbraw/zinc/00/96/62/222009662.db2.gz PRGMHPYKINQAQH-GOSISDBHSA-N 1 0 363.552 3.238 40 0 FGABRO O=C(CC1CCC2(CC1)CC[NH+](CC1CCOCC1)CC2)N1CC=CC1 ZINC000096075184 222012022 /nfs/dbraw/zinc/01/20/22/222012022.db2.gz NXCPCPFZLKGGAF-UHFFFAOYSA-N 1 0 360.542 3.474 40 0 FGABRO Cc1occc1C(=O)N1CCC2(CC([N@H+](C)Cc3ccccn3)C2)CC1 ZINC000096159267 222057990 /nfs/dbraw/zinc/05/79/90/222057990.db2.gz GBZCAXXNTKRIGM-UHFFFAOYSA-N 1 0 353.466 3.500 40 0 FGABRO Cc1cnc(N[C@@H]2CCO[C@]3(CC[N@H+](CCc4ccccc4)C3)C2)nc1 ZINC000096206768 222075663 /nfs/dbraw/zinc/07/56/63/222075663.db2.gz XMSNAICBYCYEFR-TZIWHRDSSA-N 1 0 352.482 3.063 40 0 FGABRO CN(C)C(=O)C[C@@H]1OC[C@H]2C[N@H+](Cc3cccc4ccccc43)CC[C@H]21 ZINC000096206987 222075738 /nfs/dbraw/zinc/07/57/38/222075738.db2.gz VCHQYUOVUPTPCY-NRSPTQNISA-N 1 0 352.478 3.155 40 0 FGABRO Cc1cccc(NC(=O)C[NH+]2CCC(n3nnc4cc(F)ccc43)CC2)c1 ZINC000004895530 493900187 /nfs/dbraw/zinc/90/01/87/493900187.db2.gz MRJGWXMTCAWPGH-UHFFFAOYSA-N 1 0 367.428 3.154 40 0 FGABRO CCN1c2ccccc2C[C@@](CCC[NH+](C)C)(C(N)=O)c2ccccc21 ZINC000005389810 493927715 /nfs/dbraw/zinc/92/77/15/493927715.db2.gz XMICEUIBPFXSGM-JOCHJYFZSA-N 1 0 351.494 3.466 40 0 FGABRO COc1ccc(CCNC(=O)C[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000005720774 493940949 /nfs/dbraw/zinc/94/09/49/493940949.db2.gz LAWMEIHZZNVQFV-MSOLQXFVSA-N 1 0 360.498 3.017 40 0 FGABRO O=C(N[C@@H]1C[NH+]2CCC1CC2)C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000005941228 493946675 /nfs/dbraw/zinc/94/66/75/493946675.db2.gz STUMSZIDQWXWCF-LJQANCHMSA-N 1 0 356.416 3.307 40 0 FGABRO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cccs3)cc2)CC1 ZINC000006517686 493965957 /nfs/dbraw/zinc/96/59/57/493965957.db2.gz NBNGBSUOARJVSA-UHFFFAOYSA-N 1 0 374.535 3.017 40 0 FGABRO O=C(c1cc2cc(Cl)ccc2n1Cc1ccccc1)N1CC[NH2+]CC1 ZINC000032500349 493993689 /nfs/dbraw/zinc/99/36/89/493993689.db2.gz HKMIOCQZXNTREU-UHFFFAOYSA-N 1 0 353.853 3.388 40 0 FGABRO Cn1c(COc2ccc(Cl)cc2)nnc1SCC[NH+]1CCCC1 ZINC000035291596 494073841 /nfs/dbraw/zinc/07/38/41/494073841.db2.gz FASAZVLMKVXIFE-UHFFFAOYSA-N 1 0 352.891 3.235 40 0 FGABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(Cn2ccnc2)cc1 ZINC000038831770 494117693 /nfs/dbraw/zinc/11/76/93/494117693.db2.gz NBUXRUJGQMCTMY-UHFFFAOYSA-N 1 0 374.488 3.457 40 0 FGABRO O=C(CCc1ccccc1)N1C[C@@H]2CCCC[N@@H+](C3CCOCC3)[C@@H]2C1 ZINC000072330667 494152491 /nfs/dbraw/zinc/15/24/91/494152491.db2.gz OBWHCPIXKVATAR-PZJWPPBQSA-N 1 0 356.510 3.111 40 0 FGABRO Cc1cc2nc([C@@H]3CCC[N@H+](Cc4cccc(F)c4F)C3)cc(N)n2n1 ZINC000072339798 494154012 /nfs/dbraw/zinc/15/40/12/494154012.db2.gz XOQHVDIJJNXRMI-CYBMUJFWSA-N 1 0 357.408 3.278 40 0 FGABRO COc1cc2c(cc1OC)[C@H](C)N([C@@H]1CCC[N@H+](C[C@@H]3CCOC3)C1)CC2 ZINC000072342501 494154878 /nfs/dbraw/zinc/15/48/78/494154878.db2.gz CTQLUGWXNRBAFM-JENIJYKNSA-N 1 0 374.525 3.124 40 0 FGABRO CN(C)C(=O)C[N@@H+]1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000072349523 494156442 /nfs/dbraw/zinc/15/64/42/494156442.db2.gz SEFRZLGRGZXPTQ-QGZVFWFLSA-N 1 0 355.457 3.079 40 0 FGABRO Nc1cc(-c2c[nH]nc2[C@H]2CCC[N@H+](CCOc3ccccc3)C2)ccn1 ZINC000072356491 494157079 /nfs/dbraw/zinc/15/70/79/494157079.db2.gz AYZJNTQAPJOIFJ-KRWDZBQOSA-N 1 0 363.465 3.312 40 0 FGABRO COCCC(=O)N1CCC(c2[nH+]c3ccccn3c2NC(C)(C)C)CC1 ZINC000012087444 494202808 /nfs/dbraw/zinc/20/28/08/494202808.db2.gz ODGMDSQGKPHLLH-UHFFFAOYSA-N 1 0 358.486 3.287 40 0 FGABRO CC(=O)N1Cc2cc(C)ccc2OC2(CC[NH+](Cc3ccccn3)CC2)C1 ZINC000012133569 494206873 /nfs/dbraw/zinc/20/68/73/494206873.db2.gz RPMCHJQZNGVEPK-UHFFFAOYSA-N 1 0 365.477 3.166 40 0 FGABRO C[NH+](C)Cc1c2cccnc2n(CC(=O)NC2CC2)c1-c1cccs1 ZINC000012222348 494215262 /nfs/dbraw/zinc/21/52/62/494215262.db2.gz AYSRRLQAMNZHON-UHFFFAOYSA-N 1 0 354.479 3.105 40 0 FGABRO Cc1ccc([C@H](O)C[NH+]2CCC(O)(c3ccc4c(c3)OCO4)CC2)cc1C ZINC000012292212 494218759 /nfs/dbraw/zinc/21/87/59/494218759.db2.gz PVOMWUYNPGMSTH-LJQANCHMSA-N 1 0 369.461 3.049 40 0 FGABRO CCOc1ccc([C@H](O)C[NH+]2CCC(O)(c3ccccc3C)CC2)cc1 ZINC000012327730 494224649 /nfs/dbraw/zinc/22/46/49/494224649.db2.gz MRLILVPXHCEKNO-OAQYLSRUSA-N 1 0 355.478 3.411 40 0 FGABRO Cc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1 ZINC000012329415 494225319 /nfs/dbraw/zinc/22/53/19/494225319.db2.gz JJEXCFPEDNMFBP-UXHICEINSA-N 1 0 353.462 3.379 40 0 FGABRO COCCOc1ccc(C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)cc1 ZINC000012363619 494226293 /nfs/dbraw/zinc/22/62/93/494226293.db2.gz YCRWGVGYRNJSTM-UHFFFAOYSA-N 1 0 359.441 3.335 40 0 FGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000044908387 494388281 /nfs/dbraw/zinc/38/82/81/494388281.db2.gz KZRLZMKQDDRMMC-HXUWFJFHSA-N 1 0 354.498 3.316 40 0 FGABRO CN(CCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000044916759 494388292 /nfs/dbraw/zinc/38/82/92/494388292.db2.gz KJKFMTOYMRPSEG-IBGZPJMESA-N 1 0 369.484 3.290 40 0 FGABRO Cc1ccc2[nH]cc(CC[NH2+][C@H]3CC(=O)N(c4cccc(C)c4)C3=O)c2c1 ZINC000017074420 494407837 /nfs/dbraw/zinc/40/78/37/494407837.db2.gz DXAVGJJPVPNAND-FQEVSTJZSA-N 1 0 361.445 3.249 40 0 FGABRO Cn1cc(C[N@@H+]2CC[C@H](c3cc(COc4cccc(Cl)c4)[nH]n3)C2)cn1 ZINC000019704722 494455240 /nfs/dbraw/zinc/45/52/40/494455240.db2.gz HDOTWOAFIGRKQZ-HNNXBMFYSA-N 1 0 371.872 3.365 40 0 FGABRO COc1ccc(CN2CC[C@]3(C)[NH2+]CCCCC[C@H]23)cc1Cn1cccn1 ZINC000019713413 494456240 /nfs/dbraw/zinc/45/62/40/494456240.db2.gz RAHLTIRLHWSZSX-VXKWHMMOSA-N 1 0 368.525 3.437 40 0 FGABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cccnc1)Cc1cnc(C(C)C)nc1 ZINC000022931861 494543887 /nfs/dbraw/zinc/54/38/87/494543887.db2.gz KNZPVMTWXYJNPN-HXUWFJFHSA-N 1 0 353.514 3.482 40 0 FGABRO O=S(=O)(c1cccc(Cl)c1Cl)N(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000091363813 494587664 /nfs/dbraw/zinc/58/76/64/494587664.db2.gz WNIHEOVSJWITRI-NSHDSACASA-N 1 0 363.310 3.146 40 0 FGABRO c1ccc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccncc3)C2)nc1 ZINC000096040187 494997290 /nfs/dbraw/zinc/99/72/90/494997290.db2.gz SQNPUZHTVDNRGL-LEWJYISDSA-N 1 0 353.466 3.065 40 0 FGABRO Fc1cccnc1OC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccncc1)C2 ZINC000096040476 494997997 /nfs/dbraw/zinc/99/79/97/494997997.db2.gz ZBWJZMOHNWESKS-ICSRJNTNSA-N 1 0 357.429 3.066 40 0 FGABRO COc1ccc(C[NH+]2CCC3(C[C@H](OCc4cccnc4)CO3)CC2)cc1 ZINC000096047880 494998463 /nfs/dbraw/zinc/99/84/63/494998463.db2.gz QMUOHCKNMUDBNX-NRFANRHFSA-N 1 0 368.477 3.431 40 0 FGABRO Cc1ccc(C[N@@H+]2CC[C@H]3C[C@@H](C(=O)Nc4cccnc4)O[C@@H]3C2)s1 ZINC000096043064 494998895 /nfs/dbraw/zinc/99/88/95/494998895.db2.gz WJJDPDNFVBIZSD-JCGIZDLHSA-N 1 0 357.479 3.070 40 0 FGABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4cccc(C)n4)C3=O)C2)o1 ZINC000096048793 494999702 /nfs/dbraw/zinc/99/97/02/494999702.db2.gz KUYMHWKDMZMYCH-OAQYLSRUSA-N 1 0 353.466 3.306 40 0 FGABRO C[NH+]1CCC(CCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000181636158 496480004 /nfs/dbraw/zinc/48/00/04/496480004.db2.gz RJVVJQIVYZPNIZ-UHFFFAOYSA-N 1 0 365.326 3.145 40 0 FGABRO C[NH+](C)CC[C@H]1CN(C(=O)CCc2ccc(Cl)cc2)Cc2cncn21 ZINC000248091057 496953995 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CCc1nccn1C[C@@H](C)C(=O)N1CCCC[C@H]1C[NH+]1CCCCCC1 ZINC000019523555 211227868 /nfs/dbraw/zinc/22/78/68/211227868.db2.gz XYRNGZFQEOGKTI-MOPGFXCFSA-N 1 0 360.546 3.339 40 0 FGABRO CCCC(=O)N1Cc2ccccc2OC2(CCC([NH+]3CCOCC3)CC2)C1 ZINC000019501693 211225811 /nfs/dbraw/zinc/22/58/11/211225811.db2.gz RNNKPDVUFYWGRR-UHFFFAOYSA-N 1 0 372.509 3.221 40 0 FGABRO O=c1cc(-c2ccccn2)nc([C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)[nH]1 ZINC000019402442 211220372 /nfs/dbraw/zinc/22/03/72/211220372.db2.gz WSCVFVLNQQNLMK-INIZCTEOSA-N 1 0 364.424 3.351 40 0 FGABRO CCN(CC)CCS(=O)(=O)CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000001591900 210360357 /nfs/dbraw/zinc/36/03/57/210360357.db2.gz OPYHZRPVFUVNMS-UHFFFAOYSA-N 1 0 369.918 3.057 40 0 FGABRO COc1ccc(-c2ccc(C[C@@]3(C(=O)N(C)C)CCC[NH2+]C3)cc2)cc1 ZINC000072391902 221492812 /nfs/dbraw/zinc/49/28/12/221492812.db2.gz ZCZAGIZCVMAKLK-QFIPXVFZSA-N 1 0 352.478 3.363 40 0 FGABRO COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(c2ncc(F)cn2)C3)cc1 ZINC000096158303 132220830 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COc1cccc(CN2CC[C@]3(CC[N@H+](Cc4ccsc4)C3)C2=O)c1 ZINC000096050653 222000632 /nfs/dbraw/zinc/00/06/32/222000632.db2.gz DBEYJXIPLDRXGN-FQEVSTJZSA-N 1 0 356.491 3.381 40 0 FGABRO COc1ccc(CN2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC000096055154 222004949 /nfs/dbraw/zinc/00/49/49/222004949.db2.gz LATIFVFCHPNAAX-WIYYLYMNSA-N 1 0 356.441 3.172 40 0 FGABRO CC1=N[C@@]2(CC[C@@H]3C[N@H+](Cc4ccccc4F)C[C@@H]32)C(=O)N1CC1CC1 ZINC000096261478 222104793 /nfs/dbraw/zinc/10/47/93/222104793.db2.gz XSHVLUJLTOKWHH-PLMTUMEDSA-N 1 0 355.457 3.077 40 0 FGABRO O=C(Nc1ccccc1)N1CC[C@@]2(C1)CCC[N@H+](CC1CCOCC1)C2 ZINC000096215416 222080420 /nfs/dbraw/zinc/08/04/20/222080420.db2.gz JFQIAVVEUHAHRS-NRFANRHFSA-N 1 0 357.498 3.433 40 0 FGABRO Clc1cncc(OC[C@H]2CO[C@@H]3C[N@H+](Cc4ccsc4)C[C@H]23)c1 ZINC000096219490 222084508 /nfs/dbraw/zinc/08/45/08/222084508.db2.gz RHDFDRHIKFPGOT-IAOVAPTHSA-N 1 0 350.871 3.322 40 0 FGABRO c1csc(C[N@H+]2CCC[C@@]3(C2)COCCN(Cc2ccccn2)C3)c1 ZINC000096229316 222091423 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Cc1cccc(OC[C@@H](O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000026780878 136153261 /nfs/dbraw/zinc/15/32/61/136153261.db2.gz INMDXJZPIRRHAP-IBGZPJMESA-N 1 0 360.885 3.210 40 0 FGABRO Cc1ncsc1C[N@@H+]1CC[C@H]2OCC[C@@]2(COCc2cccnc2)C1 ZINC000096110398 222028035 /nfs/dbraw/zinc/02/80/35/222028035.db2.gz PHINXVGIKVRAIT-MOPGFXCFSA-N 1 0 359.495 3.044 40 0 FGABRO Cc1nc(C[N@@H+]2CC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)cs1 ZINC000096050625 222001011 /nfs/dbraw/zinc/00/10/11/222001011.db2.gz ZRRQOALIVLNCHF-IBGZPJMESA-N 1 0 359.470 3.215 40 0 FGABRO Cc1ccc(C[N@@H+]2C[C@H](C(=O)Nc3ccccc3)C3(C2)CCOCC3)o1 ZINC000096052253 222002895 /nfs/dbraw/zinc/00/28/95/222002895.db2.gz DWALCSUBUOCBSC-LJQANCHMSA-N 1 0 354.450 3.455 40 0 FGABRO COCCN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](Cc1ccoc1)CC2 ZINC000096061341 222008047 /nfs/dbraw/zinc/00/80/47/222008047.db2.gz PPTQWJAQUIMIEH-HXUWFJFHSA-N 1 0 368.477 3.277 40 0 FGABRO c1nc2c(n1CC1CC1)[C@H](COCc1cccnc1)C[N@@H+](C1CCC1)C2 ZINC000096068679 222010382 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Cc1noc(C)c1C[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3ccsc3)C2)C1 ZINC000096216030 222081228 /nfs/dbraw/zinc/08/12/28/222081228.db2.gz ZKMVOMXXBDSNCY-FQEVSTJZSA-N 1 0 373.522 3.410 40 0 FGABRO O=C(C[C@H]1OC[C@H]2C[N@H+](Cc3cccs3)CC[C@H]21)Nc1cccnc1 ZINC000096218319 222081431 /nfs/dbraw/zinc/08/14/31/222081431.db2.gz WWZQJWYWELXYBO-ZTFGCOKTSA-N 1 0 357.479 3.009 40 0 FGABRO c1ccc(OCC[N@@H+]2CCC[C@@]3(CCN(Cc4ccccn4)C3)C2)cc1 ZINC000096216294 222081627 /nfs/dbraw/zinc/08/16/27/222081627.db2.gz ZPLOXTOUWXKXDZ-JOCHJYFZSA-N 1 0 351.494 3.449 40 0 FGABRO O=C(c1ccncc1)N1CCC2(CC1)CC[NH+](Cc1nccs1)CC2 ZINC000003956130 493860807 /nfs/dbraw/zinc/86/08/07/493860807.db2.gz OQFHVBNRCROMLG-UHFFFAOYSA-N 1 0 356.495 3.057 40 0 FGABRO COc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1C ZINC000030337632 493887281 /nfs/dbraw/zinc/88/72/81/493887281.db2.gz PJVUHUPGPUACRP-UHFFFAOYSA-N 1 0 374.506 3.078 40 0 FGABRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000060016503 493912095 /nfs/dbraw/zinc/91/20/95/493912095.db2.gz AEXHWJTVSJBTBQ-TZMRYXNNSA-N 1 0 356.510 3.043 40 0 FGABRO Cc1c(NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(=O)n(-c2ccccc2)n1C ZINC000005576240 493936314 /nfs/dbraw/zinc/93/63/14/493936314.db2.gz ZFDYZXJCXKXKIW-PKOBYXMFSA-N 1 0 354.498 3.161 40 0 FGABRO Cc1ccc(N2CC[NH+](C[C@H](O)COc3ccccc3Cl)CC2)cc1 ZINC000031671549 493954683 /nfs/dbraw/zinc/95/46/83/493954683.db2.gz XWBQUFMPQWNAMO-SFHVURJKSA-N 1 0 360.885 3.210 40 0 FGABRO COc1ccc(OC[C@H](C)[NH2+]Cc2cnc(N3CCC[C@H](C)C3)nc2)cc1 ZINC000036734493 494096781 /nfs/dbraw/zinc/09/67/81/494096781.db2.gz ARRIVEKUSOJVQK-IRXDYDNUSA-N 1 0 370.497 3.279 40 0 FGABRO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039755064 494124162 /nfs/dbraw/zinc/12/41/62/494124162.db2.gz AEJWCJNNEZVKIC-UHFFFAOYSA-N 1 0 356.397 3.405 40 0 FGABRO O=C1N[C@@]2(COC3(C2)CC[NH+](Cc2cccs2)CC3)Nc2ccccc21 ZINC000072325387 494152070 /nfs/dbraw/zinc/15/20/70/494152070.db2.gz AEHFEAKLJOLDOS-FQEVSTJZSA-N 1 0 369.490 3.055 40 0 FGABRO COC(=O)[C@]1(Cc2ccccc2)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1 ZINC000072341111 494155048 /nfs/dbraw/zinc/15/50/48/494155048.db2.gz LVJACXWVFKPSDY-QTEQDKRBSA-N 1 0 363.457 3.395 40 0 FGABRO CN(C)C(=O)C[N@@H+]1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359614 494157234 /nfs/dbraw/zinc/15/72/34/494157234.db2.gz YPCHDXVIGXZTLV-HNNXBMFYSA-N 1 0 358.873 3.065 40 0 FGABRO Cn1cc(C[N@@H+]2CCC[C@H](c3nccnc3-c3ccccc3F)C2)cn1 ZINC000072359053 494157331 /nfs/dbraw/zinc/15/73/31/494157331.db2.gz ZCSYABASUBCBGQ-INIZCTEOSA-N 1 0 351.429 3.396 40 0 FGABRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(OC)cc3OC)cc2)CC1 ZINC000011946872 494198105 /nfs/dbraw/zinc/19/81/05/494198105.db2.gz JSGJZAQJQFFRFU-UHFFFAOYSA-N 1 0 369.465 3.098 40 0 FGABRO COC[C@@H](C)[NH2+]Cc1cc2c(C(C)(C)C)nn(-c3ccccc3)c2[nH]c1=O ZINC000012186378 494211932 /nfs/dbraw/zinc/21/19/32/494211932.db2.gz LPYMURKDLVPLEE-CQSZACIVSA-N 1 0 368.481 3.136 40 0 FGABRO Cc1n[nH]c(C)c1CNC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000012196165 494212870 /nfs/dbraw/zinc/21/28/70/494212870.db2.gz MBDAXWHYAGOICY-UHFFFAOYSA-N 1 0 360.889 3.208 40 0 FGABRO COc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)c(C)c1C ZINC000012221441 494214758 /nfs/dbraw/zinc/21/47/58/494214758.db2.gz DGMUPHRQJMLQTB-QIDMFYOTSA-N 1 0 369.509 3.165 40 0 FGABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@H](O)c3ccccc3)CC1)C[C@@H]2O ZINC000012293307 494220162 /nfs/dbraw/zinc/22/01/62/494220162.db2.gz NLBZCFOSXWZRHN-PMACEKPBSA-N 1 0 369.461 3.079 40 0 FGABRO COc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@H](O)c3ccccc3)CC1)O2 ZINC000012293322 494220667 /nfs/dbraw/zinc/22/06/67/494220667.db2.gz WRNMOFLGJASCSV-PMACEKPBSA-N 1 0 369.461 3.079 40 0 FGABRO CCn1nc(C)c(C[NH+]2CCC(NC(C)=O)(c3ccccc3F)CC2)c1C ZINC000012330722 494224913 /nfs/dbraw/zinc/22/49/13/494224913.db2.gz QJKYUOBIPGYKGR-UHFFFAOYSA-N 1 0 372.488 3.286 40 0 FGABRO COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2[NH2+]Cc2cnn(C)c2)cc1OC ZINC000012337873 494225102 /nfs/dbraw/zinc/22/51/02/494225102.db2.gz VHFCJZIYGQSSIT-USNOLKROSA-N 1 0 355.482 3.499 40 0 FGABRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1c(C)oc2c1C(=O)CC(C)(C)C2 ZINC000012362811 494227087 /nfs/dbraw/zinc/22/70/87/494227087.db2.gz YAWJAMWIEJBPAN-HNNXBMFYSA-N 1 0 360.498 3.276 40 0 FGABRO CC[C@@H](C[NH+]1CCOCC1)n1cncc1-c1ccc2c(c1)CCCN2C ZINC000019720032 494459167 /nfs/dbraw/zinc/45/91/67/494459167.db2.gz QMZBLQZMPXCDKJ-IBGZPJMESA-N 1 0 354.498 3.216 40 0 FGABRO CC(C)NC(=O)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020241773 494469983 /nfs/dbraw/zinc/46/99/83/494469983.db2.gz VNUISYFNAWPNSV-UHFFFAOYSA-N 1 0 351.494 3.143 40 0 FGABRO O=C(Cc1cccnc1)N1CCC[C@@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000096047112 494998450 /nfs/dbraw/zinc/99/84/50/494998450.db2.gz MXZAONUWQZMQPU-FQEVSTJZSA-N 1 0 355.507 3.200 40 0 FGABRO CC(=O)N1C[C@@H](COCC2CC2)C2(C1)CC[NH+](Cc1ccccc1F)CC2 ZINC000247945329 496930440 /nfs/dbraw/zinc/93/04/40/496930440.db2.gz OOPQLEZYZSVYJZ-FQEVSTJZSA-N 1 0 374.500 3.313 40 0 FGABRO C[NH+](C)CC[C@H]1CN(C(=O)Cc2csc3ccccc23)Cc2cncn21 ZINC000248106489 496953946 /nfs/dbraw/zinc/95/39/46/496953946.db2.gz IVUDVIINJFEIQJ-INIZCTEOSA-N 1 0 368.506 3.176 40 0 FGABRO C[NH+](C)CC[C@@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)Cc2cncn21 ZINC000248123783 496957077 /nfs/dbraw/zinc/95/70/77/496957077.db2.gz NWUDJNZVGGCVLU-OAHLLOKOSA-N 1 0 372.856 3.432 40 0 FGABRO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1cc(C)c(OC)cc1C ZINC000224674440 497051788 /nfs/dbraw/zinc/05/17/88/497051788.db2.gz QBUZDDLGRKLBRL-QGZVFWFLSA-N 1 0 368.543 3.245 40 0 FGABRO CCn1cc(CN2Cc3cccn3[C@@H](CCOCC3CCOCC3)C2)cn1 ZINC000249689151 497232995 /nfs/dbraw/zinc/23/29/95/497232995.db2.gz IWXMPQPBRQAEJA-NRFANRHFSA-N 1 0 372.513 3.095 40 0 FGABRO CCc1ncc(C[N@@H+]2C[C@@H]3CCC[C@@](O)(c4ccccc4OC)[C@H]3C2)cn1 ZINC000253606537 497346228 /nfs/dbraw/zinc/34/62/28/497346228.db2.gz RAEYJWJNGGKLRB-LQBOVUBWSA-N 1 0 367.493 3.167 40 0 FGABRO Cc1ccc2ncc(-c3cccc(C[C@@H]4COC5(C4)CC[NH2+]CC5)n3)n2c1 ZINC000585263071 507581898 /nfs/dbraw/zinc/58/18/98/507581898.db2.gz INBYOMLXXVGYKB-KRWDZBQOSA-N 1 0 362.477 3.406 40 0 FGABRO O=C(CCC1CCCC1)N1CC[NH2+]C[C@H](Cc2ccnc3cccnc23)C1 ZINC000257334200 534329892 /nfs/dbraw/zinc/32/98/92/534329892.db2.gz YEZVBVPVIVQILL-SFHVURJKSA-N 1 0 366.509 3.191 40 0 FGABRO CC(C)[NH+]1CCC(c2cccc(N3CC4(CCOCC4)OC3=O)n2)CC1 ZINC000257288514 529005665 /nfs/dbraw/zinc/00/56/65/529005665.db2.gz PULJHNYIDARBFX-UHFFFAOYSA-N 1 0 359.470 3.175 40 0 FGABRO COc1ccc(C2(C[NH2+][C@@H]3CCC[C@H](S(C)(=O)=O)C3)CCC2)cc1 ZINC000646158750 571106275 /nfs/dbraw/zinc/10/62/75/571106275.db2.gz RXZWYLOTMJJHQR-AEFFLSMTSA-N 1 0 351.512 3.062 40 0 FGABRO CCc1nc(C)c(C[N@@H+]2CC[C@@H]3[C@H](C2)[C@@H](c2ccccc2)CN3C(C)=O)[nH]1 ZINC000257258414 529723555 /nfs/dbraw/zinc/72/35/55/529723555.db2.gz KTTHYLDXIZDKFO-SFHLNBCPSA-N 1 0 366.509 3.117 40 0 FGABRO C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)COc1ccc(F)cc1F)C2 ZINC000257274916 529831937 /nfs/dbraw/zinc/83/19/37/529831937.db2.gz NNEROALTYLZAMQ-DEYWJSPQSA-N 1 0 364.436 3.207 40 0 FGABRO C[N@@H+]1CCC[C@@]2(C)[C@@H]1CCCCN2C(=O)c1cccc(-c2cncnc2)n1 ZINC000257250418 530059216 /nfs/dbraw/zinc/05/92/16/530059216.db2.gz JMKXJBZJSISMMD-FPOVZHCZSA-N 1 0 365.481 3.018 40 0 FGABRO Brc1ccc(CNc2cc(C3CC3)[nH+]c(NC3CC3)n2)cc1 ZINC000329023454 210130599 /nfs/dbraw/zinc/13/05/99/210130599.db2.gz OTWLWYTUMYIZEE-UHFFFAOYSA-N 1 0 359.271 3.147 40 0 FGABRO Cc1ccc(Nc2cc(-c3cccnc3)nc(NCCC[NH+](C)C)n2)cc1 ZINC000328963496 210126279 /nfs/dbraw/zinc/12/62/79/210126279.db2.gz BPBXDPDDFWVECQ-UHFFFAOYSA-N 1 0 362.481 3.376 40 0 FGABRO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)COCCOC23CC4CC(CC(C4)C2)C3)C1 ZINC000072238834 210065761 /nfs/dbraw/zinc/06/57/61/210065761.db2.gz LDSVOMWXCKXKQC-KKEHIWFPSA-N 1 0 365.558 3.327 40 0 FGABRO Cc1cccc(C[N@@H+]2CC[C@@]3(CN(Cc4cccnc4)c4cccnc43)C2)n1 ZINC000306142537 210058322 /nfs/dbraw/zinc/05/83/22/210058322.db2.gz XCLRMVWHOGURCN-QHCPKHFHSA-N 1 0 371.488 3.344 40 0 FGABRO CC(C)[C@@H](C)NC(=O)c1nc(-c2ccn(CC[NH+](C)C)c2)n2ccccc12 ZINC000306136558 210056287 /nfs/dbraw/zinc/05/62/87/210056287.db2.gz PWYHDSLJIJOPES-MRXNPFEDSA-N 1 0 367.497 3.139 40 0 FGABRO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccsc3)C[C@H]2N1Cc1cccnc1 ZINC000306127807 210052222 /nfs/dbraw/zinc/05/22/22/210052222.db2.gz GICBLRYLTASSDI-RBUKOAKNSA-N 1 0 364.474 3.026 40 0 FGABRO Fc1ccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4ccccn4)C2)OC3)cc1 ZINC000306125271 210050065 /nfs/dbraw/zinc/05/00/65/210050065.db2.gz CLCRNHWTWBDIKB-NRFANRHFSA-N 1 0 364.424 3.259 40 0 FGABRO COCC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@H+](C)[C@H]2Cc1ccccc1 ZINC000257229387 223028781 /nfs/dbraw/zinc/02/87/81/223028781.db2.gz FXXGQLQFIQFWEX-SXFAUFNYSA-N 1 0 356.510 3.108 40 0 FGABRO Cc1c[nH]c(-c2nccnc2CC2CC[NH+](Cc3scnc3C)CC2)n1 ZINC000257223913 223026991 /nfs/dbraw/zinc/02/69/91/223026991.db2.gz DZMFCTXCXXWTOC-UHFFFAOYSA-N 1 0 368.510 3.395 40 0 FGABRO Cc1c[nH]c(-c2cc([C@H]3CCC[N@H+](Cc4cncs4)C3)nc(C)n2)n1 ZINC000257250172 223037005 /nfs/dbraw/zinc/03/70/05/223037005.db2.gz JLJHLSDEFKIMTE-AWEZNQCLSA-N 1 0 354.483 3.320 40 0 FGABRO c1ccc(Nc2cc(CC3CC[NH+](CC4CCOCC4)CC3)ncn2)nc1 ZINC000257250864 223037577 /nfs/dbraw/zinc/03/75/77/223037577.db2.gz JOIWFDGRIWKPKI-UHFFFAOYSA-N 1 0 367.497 3.296 40 0 FGABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1OCCc2ccccc21 ZINC000019714010 211247968 /nfs/dbraw/zinc/24/79/68/211247968.db2.gz KGZJSOOKNHMDFB-OAQYLSRUSA-N 1 0 350.462 3.213 40 0 FGABRO O=C(Cc1ccc2[nH]cnc2c1)NC[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000019654717 211243783 /nfs/dbraw/zinc/24/37/83/211243783.db2.gz KCCHJJKPJPKPIH-OAQYLSRUSA-N 1 0 362.477 3.449 40 0 FGABRO C[C@@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000019575278 211234668 /nfs/dbraw/zinc/23/46/68/211234668.db2.gz OTXJAWDMHUKOCI-QLFBSQMISA-N 1 0 369.490 3.196 40 0 FGABRO COc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2cccnc2)cc1OC ZINC000019560763 211232708 /nfs/dbraw/zinc/23/27/08/211232708.db2.gz APTDSUWNOUEOPP-QIDMFYOTSA-N 1 0 368.477 3.219 40 0 FGABRO CCN1CC[N@H+](CC2CC2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019527394 211229045 /nfs/dbraw/zinc/22/90/45/211229045.db2.gz LJIZRFPIKGGEBR-JOCHJYFZSA-N 1 0 363.505 3.481 40 0 FGABRO CCc1nc2ccccc2n1C[C@@H](C)C(=O)N1CCC[C@H](C[NH+](C)C)C1 ZINC000019523267 211227726 /nfs/dbraw/zinc/22/77/26/211227726.db2.gz BUTSSRPTLWDRTJ-IAGOWNOFSA-N 1 0 356.514 3.035 40 0 FGABRO COc1c(C)cccc1C[N@@H+]1CC[C@]2(C1)CCc1ccccc1C(=O)N2 ZINC000019235938 211209287 /nfs/dbraw/zinc/20/92/87/211209287.db2.gz LHZBUYCBYWUYNP-QFIPXVFZSA-N 1 0 350.462 3.324 40 0 FGABRO OCC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(OCc2ccccc2)cc1 ZINC000019372709 211219490 /nfs/dbraw/zinc/21/94/90/211219490.db2.gz XHTSIWVHVCYVAA-VXKWHMMOSA-N 1 0 366.505 3.297 40 0 FGABRO COc1cccc(C=O)c1OCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000019798129 220298944 /nfs/dbraw/zinc/29/89/44/220298944.db2.gz RGNRJFGHXZRROZ-UHFFFAOYSA-N 1 0 368.477 3.094 40 0 FGABRO COc1ccc(C(=O)N2CCC[C@@H]2c2cccc(C[NH+](C)C)n2)cc1F ZINC000257291460 533297493 /nfs/dbraw/zinc/29/74/93/533297493.db2.gz QHANWPLYRMRMTH-GOSISDBHSA-N 1 0 357.429 3.268 40 0 FGABRO COc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](Oc3cccc(OC)c3)CC2)cc1 ZINC000257230032 533570176 /nfs/dbraw/zinc/57/01/76/533570176.db2.gz GAMGVGLEWLARHC-SFTDATJTSA-N 1 0 357.450 3.108 40 0 FGABRO CC(C)Nc1nc(N2CCc3cc([C@@H](C)O)ccc3C2)cc(C(C)C)[nH+]1 ZINC000328965513 132371816 /nfs/dbraw/zinc/37/18/16/132371816.db2.gz CDIGHLOYSXEVEU-OAHLLOKOSA-N 1 0 354.498 3.458 40 0 FGABRO CNc1nc(N2CCc3cc(OC(F)(F)F)ccc3C2)cc(C2CC2)[nH+]1 ZINC000329008108 132372439 /nfs/dbraw/zinc/37/24/39/132372439.db2.gz LPGKFQHKOLFBOZ-UHFFFAOYSA-N 1 0 364.371 3.279 40 0 FGABRO CCNc1nc(N2CCc3cc(OC(F)(F)F)ccc3C2)cc(CC)[nH+]1 ZINC000329067183 132373181 /nfs/dbraw/zinc/37/31/81/132373181.db2.gz YFOSUZQJWPVREZ-UHFFFAOYSA-N 1 0 366.387 3.354 40 0 FGABRO FC1(F)CC[N@H+](CC2CCOCC2)C[C@]12CCN(c1cccnc1)C2 ZINC000096051137 222001328 /nfs/dbraw/zinc/00/13/28/222001328.db2.gz JGAUYPGUJABRDP-SFHVURJKSA-N 1 0 351.441 3.046 40 0 FGABRO CCOC(=O)[C@@]12C[N@@H+](C(C)C)C[C@@H]1CN(Cc1cccs1)CCC2 ZINC000096055899 222005239 /nfs/dbraw/zinc/00/52/39/222005239.db2.gz FAAPZIGNTRXMHH-LPHOPBHVSA-N 1 0 350.528 3.234 40 0 FGABRO Cc1ccc(C[NH2+]C[C@H]2OCCc3cn(Cc4ccccn4)nc32)s1 ZINC000096059786 222006981 /nfs/dbraw/zinc/00/69/81/222006981.db2.gz RBFQYEBXTDJXBY-GOSISDBHSA-N 1 0 354.479 3.100 40 0 FGABRO c1cc(C[N@H+]2CC[C@H]3O[C@@H](COCC4CCOCC4)CC[C@H]32)cs1 ZINC000096083129 222016881 /nfs/dbraw/zinc/01/68/81/222016881.db2.gz VGATWGKBXVZDDA-GUDVDZBRSA-N 1 0 351.512 3.313 40 0 FGABRO CC1=N[C@@]2(CC[C@@H]3C[N@H+](Cc4ccccc4C)C[C@@H]32)C(=O)N1CC1CC1 ZINC000096261477 222104747 /nfs/dbraw/zinc/10/47/47/222104747.db2.gz BQQGTNOQTUCSIP-RZUBCFFCSA-N 1 0 351.494 3.246 40 0 FGABRO CCc1ccc(C(=O)N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)cc1 ZINC000096217912 222082216 /nfs/dbraw/zinc/08/22/16/222082216.db2.gz HJLQCIFCCHIZKG-IFMALSPDSA-N 1 0 356.510 3.070 40 0 FGABRO Clc1cncc(OC[C@@H]2CO[C@@H]3C[N@H+](Cc4ccsc4)C[C@H]23)c1 ZINC000096219435 222083351 /nfs/dbraw/zinc/08/33/51/222083351.db2.gz RHDFDRHIKFPGOT-KBRIMQKVSA-N 1 0 350.871 3.322 40 0 FGABRO O=C(c1ccc2[nH]ccc2c1)N1CCC[C@]2(C1)COCC[N@H+](CC1CC1)C2 ZINC000096228786 222089454 /nfs/dbraw/zinc/08/94/54/222089454.db2.gz TWUDDKPEHOYNPH-QFIPXVFZSA-N 1 0 367.493 3.133 40 0 FGABRO C[NH2+]C[C@H]1CC[C@H](c2cc(CN(C)C(=O)C[C@H]3C=CCC3)n(C)n2)CC1 ZINC000100687681 222248773 /nfs/dbraw/zinc/24/87/73/222248773.db2.gz APFTXEGDHXAHMH-OKZBNKHCSA-N 1 0 358.530 3.228 40 0 FGABRO Cc1cc(=O)oc2cc(NC(=O)[C@H]([NH3+])CSCc3ccccc3)ccc12 ZINC000006069640 493950469 /nfs/dbraw/zinc/95/04/69/493950469.db2.gz WSBODWFAIQZWSU-QGZVFWFLSA-N 1 0 368.458 3.301 40 0 FGABRO C[C@@H]1C[C@@H](OC[C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)CC(C)(C)C1 ZINC000033526437 494061153 /nfs/dbraw/zinc/06/11/53/494061153.db2.gz KNTYPEPXUKNULI-HLAWJBBLSA-N 1 0 360.542 3.401 40 0 FGABRO CCCNC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1OC ZINC000035290516 494073800 /nfs/dbraw/zinc/07/38/00/494073800.db2.gz PAXOTYMMLPPXJJ-AYHJJNSGSA-N 1 0 361.555 3.455 40 0 FGABRO COc1ccccc1[C@@]1(O)CCC[N@H+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000036741290 494097327 /nfs/dbraw/zinc/09/73/27/494097327.db2.gz HKKVYNZWJTVDEZ-AZUAARDMSA-N 1 0 361.869 3.366 40 0 FGABRO COCCOc1cccc(C[N@@H+]2C[C@@H]3ON=C(c4ccc(C)cc4)[C@@H]3C2)c1 ZINC000072343297 494155191 /nfs/dbraw/zinc/15/51/91/494155191.db2.gz XATJFCRVNCOWKF-RTWAWAEBSA-N 1 0 366.461 3.255 40 0 FGABRO CC1CC[NH+](CC(=O)N2CCC(c3nc4ccccc4cc3N)CC2)CC1 ZINC000012087800 494202985 /nfs/dbraw/zinc/20/29/85/494202985.db2.gz JLGQUGOLCKSZOF-UHFFFAOYSA-N 1 0 366.509 3.255 40 0 FGABRO COc1ccc(OC)c(C[N@@H+]2CCC[C@H](n3c4ccccc4oc3=O)C2)c1 ZINC000012119155 494206256 /nfs/dbraw/zinc/20/62/56/494206256.db2.gz IGGYHQGDYBUALN-INIZCTEOSA-N 1 0 368.433 3.449 40 0 FGABRO COc1cc(C)c(C[NH+]2CCC3(CC2)OCCc2cnc(C)nc23)cc1C ZINC000012126197 494206796 /nfs/dbraw/zinc/20/67/96/494206796.db2.gz JFXYZMDDLOTVJN-UHFFFAOYSA-N 1 0 367.493 3.474 40 0 FGABRO C[NH+](C)Cc1ccc(CN2C[C@H](CN3CCOCC3)c3ccccc32)cc1 ZINC000012148202 494209507 /nfs/dbraw/zinc/20/95/07/494209507.db2.gz BSSWAECRIMRGCQ-NRFANRHFSA-N 1 0 365.521 3.184 40 0 FGABRO CCN(CC[NH+](C)C)c1ncc(-c2cnccn2)c(-c2cccs2)n1 ZINC000012186297 494211119 /nfs/dbraw/zinc/21/11/19/494211119.db2.gz HOIWVMKWJFQFNF-UHFFFAOYSA-N 1 0 354.483 3.050 40 0 FGABRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@H](O)c2ccc(C)cc2)CC1 ZINC000012188304 494211800 /nfs/dbraw/zinc/21/18/00/494211800.db2.gz GQYVEQVMGQTUMJ-NRFANRHFSA-N 1 0 352.478 3.156 40 0 FGABRO C[C@@H]1CCCC[N@@H+]1CCCNCc1cc(-c2ccccc2)cn2nnnc12 ZINC000012224211 494216045 /nfs/dbraw/zinc/21/60/45/494216045.db2.gz QXXHCGQKVVZQAR-QGZVFWFLSA-N 1 0 364.497 3.145 40 0 FGABRO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)cc1CO ZINC000012293111 494219946 /nfs/dbraw/zinc/21/99/46/494219946.db2.gz BGADEUNHLILKHS-VSOVRNOCSA-N 1 0 371.452 3.341 40 0 FGABRO Cc1cc(C)n(CC[NH2+]Cc2cc(-c3ccc(Cl)cc3)c[nH]c2=O)n1 ZINC000012338376 494225367 /nfs/dbraw/zinc/22/53/67/494225367.db2.gz FJDYEMOZXDNBMH-UHFFFAOYSA-N 1 0 356.857 3.298 40 0 FGABRO Cc1cnc(-c2nc(C3CC[NH+](Cc4ccc(F)cc4)CC3)no2)cn1 ZINC000012337351 494225424 /nfs/dbraw/zinc/22/54/24/494225424.db2.gz QUSDYCIZSJZGOT-UHFFFAOYSA-N 1 0 353.401 3.354 40 0 FGABRO Cc1cc(C[C@@H]2COC[C@H]2[NH2+]Cc2ccc(Br)s2)on1 ZINC000012366574 494227601 /nfs/dbraw/zinc/22/76/01/494227601.db2.gz JQYVPOQSWZQNSQ-ZWNOBZJWSA-N 1 0 357.273 3.154 40 0 FGABRO Cc1ccc2c(c1)CN(C(=O)C1(c3ccccc3)CC1)[C@H](C[NH+](C)C)CO2 ZINC000012406607 494230438 /nfs/dbraw/zinc/23/04/38/494230438.db2.gz CTCQRGXBVVJAIM-HXUWFJFHSA-N 1 0 364.489 3.378 40 0 FGABRO CC(=O)c1ccc(NC(=S)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000044222123 494343915 /nfs/dbraw/zinc/34/39/15/494343915.db2.gz VPHJKENQTINYMC-UHFFFAOYSA-N 1 0 368.506 3.235 40 0 FGABRO CC(C)(C)OC(=O)N1CC([NH2+]CCc2ccc(Br)cc2)C1 ZINC000090635727 494490021 /nfs/dbraw/zinc/49/00/21/494490021.db2.gz VBOSSDDHOCSJCZ-UHFFFAOYSA-N 1 0 355.276 3.201 40 0 FGABRO Fc1cccnc1OC[C@@]12CCCO[C@H]1CC[N@H+](Cc1cccnc1)C2 ZINC000107712758 494589140 /nfs/dbraw/zinc/58/91/40/494589140.db2.gz GNMIMNDKCIYYLN-ICSRJNTNSA-N 1 0 357.429 3.066 40 0 FGABRO Fc1cccnc1OC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccccn1)C2 ZINC000107712736 494589773 /nfs/dbraw/zinc/58/97/73/494589773.db2.gz CEEHZBBGFWBMMO-QUCCMNQESA-N 1 0 357.429 3.066 40 0 FGABRO COc1cccc([C@@H]2C[N@H+](Cc3ccccc3)[C@@H]3CCCC(=O)N[C@@H]23)c1 ZINC000095951536 494991438 /nfs/dbraw/zinc/99/14/38/494991438.db2.gz WPDDQIBJIMWRFP-VWPQPMDRSA-N 1 0 350.462 3.332 40 0 FGABRO c1ccc(C[N@H+]2CC[C@H]3OCCC[C@]3(COCc3ccncc3)C2)nc1 ZINC000096040186 494997361 /nfs/dbraw/zinc/99/73/61/494997361.db2.gz SQNPUZHTVDNRGL-NHCUHLMSSA-N 1 0 353.466 3.065 40 0 FGABRO COc1ccc(C[NH+]2CCC3(CCN(C(=O)c4cscn4)C3)CC2)cc1 ZINC000096046543 494998668 /nfs/dbraw/zinc/99/86/68/494998668.db2.gz UUPXXONDZPZTTB-UHFFFAOYSA-N 1 0 371.506 3.280 40 0 FGABRO COc1ccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)cc1 ZINC000096048627 495000162 /nfs/dbraw/zinc/00/01/62/495000162.db2.gz ZJARVPJVDZHVNG-JOCHJYFZSA-N 1 0 365.477 3.105 40 0 FGABRO COc1ccc2c(c1)C[N@@H+](Cc1ccccc1OC)CC[C@H]1COC(=O)N21 ZINC000225492054 497064550 /nfs/dbraw/zinc/06/45/50/497064550.db2.gz PWFSJXLHCJYMRN-KRWDZBQOSA-N 1 0 368.433 3.435 40 0 biogenic,in-vitro FGABRO COc1ccc(NC(=S)NCCC[N@@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC000225735776 497074060 /nfs/dbraw/zinc/07/40/60/497074060.db2.gz JDWZYVCPVXGEIZ-CQSZACIVSA-N 1 0 351.516 3.112 40 0 FGABRO [NH3+]C[C@H]1CC[C@H]([C@@H](NC(=O)Cc2ccc(F)cc2)c2ccccn2)CC1 ZINC000257261008 497396856 /nfs/dbraw/zinc/39/68/56/497396856.db2.gz LFJUWSOXZKTHRJ-CBGDNZLLSA-N 1 0 355.457 3.386 40 0 FGABRO CC[NH+](CC)CCCN(Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000575420965 505975381 /nfs/dbraw/zinc/97/53/81/505975381.db2.gz LLYDMXCNKSBQOB-SFHVURJKSA-N 1 0 372.962 3.061 40 0 FGABRO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000332306817 498643029 /nfs/dbraw/zinc/64/30/29/498643029.db2.gz MEGIXGATGAPICQ-CRAIPNDOSA-N 1 0 362.495 3.262 40 0 FGABRO O=C([C@H]1CCCO1)N1CCC[C@]2(CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100416 507567519 /nfs/dbraw/zinc/56/75/19/507567519.db2.gz SGBGKEQYQNGZKA-CTNGQTDRSA-N 1 0 360.473 3.352 40 0 FGABRO O=C(c1cnc2ccccn12)N1CC[C@H]2[C@@H](C[N@@H+]2CC2CCCCC2)C1 ZINC000585107972 507573716 /nfs/dbraw/zinc/57/37/16/507573716.db2.gz OLDYLVINEUJGNT-MSOLQXFVSA-N 1 0 352.482 3.061 40 0 FGABRO Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H](C[N@@H+]2CC2CCCCC2)C1 ZINC000585107966 507574488 /nfs/dbraw/zinc/57/44/88/507574488.db2.gz NGENNOOBWPBCDV-RTBURBONSA-N 1 0 362.539 3.270 40 0 FGABRO Cn1ccnc1COc1ccc(C[N@H+](C)C[C@@H](O)c2ccccc2)cc1 ZINC000585270306 507582924 /nfs/dbraw/zinc/58/29/24/507582924.db2.gz UHWOKEPCUJRTOM-HXUWFJFHSA-N 1 0 351.450 3.165 40 0 FGABRO Cc1cccc(OC[C@@H](O)C[NH2+]Cc2cc3ccc(C)cc3[nH]c2=O)c1 ZINC000585283157 507583686 /nfs/dbraw/zinc/58/36/86/507583686.db2.gz CQWCWUWGRLGZCZ-SFHVURJKSA-N 1 0 352.434 3.087 40 0 FGABRO C[C@@H]1C[N@H+](C[C@@H](Cc2ccccc2)C(N)=O)CC[C@]1(C)c1cccc(O)c1 ZINC000390823264 524962387 /nfs/dbraw/zinc/96/23/87/524962387.db2.gz XIXMDCGNWYDFMB-BOCKYXSRSA-N 1 0 366.505 3.336 40 0 FGABRO COc1ccc2c3c1O[C@]1(C)[C@]34CC[N@@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H](C)C2 ZINC000253504603 525618644 /nfs/dbraw/zinc/61/86/44/525618644.db2.gz HNGQYCCVBUYBHG-OMYBAHKFSA-N 1 0 367.489 3.326 40 0 biogenic,in-vitro FGABRO C[C@@]1(O)CC[N@H+](Cc2ccccc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 ZINC000514289831 560031550 /nfs/dbraw/zinc/03/15/50/560031550.db2.gz ITMUHMWNZHBKBA-QNWVGRARSA-N 1 0 364.489 3.279 40 0 biogenic,in-vitro FGABRO CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000685938952 568434611 /nfs/dbraw/zinc/43/46/11/568434611.db2.gz HQMWMOHLMWYEOC-SXLOBPIMSA-N 1 0 359.514 3.240 40 0 FGABRO CS(=O)(=O)CC1(C[NH+]2CCC(c3c[nH]c4cc(F)ccc43)CC2)CC1 ZINC000678077035 571115574 /nfs/dbraw/zinc/11/55/74/571115574.db2.gz WJUYIIFYKVORRR-UHFFFAOYSA-N 1 0 364.486 3.311 40 0 FGABRO C[N@@H+]1CCN(Cc2cncs2)C[C@H](Cc2cccc3cccnc32)C1 ZINC000257295233 529775342 /nfs/dbraw/zinc/77/53/42/529775342.db2.gz QXNLXUXMTVMUDB-MRXNPFEDSA-N 1 0 352.507 3.298 40 0 FGABRO COc1ccc(C)cc1C[N@@H+]1CC[C@@]2(C1)CCc1ccccc1C(=O)N2 ZINC000014001517 210180801 /nfs/dbraw/zinc/18/08/01/210180801.db2.gz YXJNKCOOOKHNIR-JOCHJYFZSA-N 1 0 350.462 3.324 40 0 FGABRO COc1cccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4ccoc4)C2)OC3)c1 ZINC000306143571 210057701 /nfs/dbraw/zinc/05/77/01/210057701.db2.gz YFQKQJJPSGRRIC-OAQYLSRUSA-N 1 0 365.433 3.327 40 0 FGABRO O=C1c2cccn2[C@H]2CN(Cc3ccco3)C[C@H]2N1Cc1cccs1 ZINC000306140235 210056465 /nfs/dbraw/zinc/05/64/65/210056465.db2.gz UNPOSGJUYSMAAO-ZWKOTPCHSA-N 1 0 353.447 3.224 40 0 FGABRO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccsc3)C[C@H]2N1Cc1ccccn1 ZINC000306138741 210055811 /nfs/dbraw/zinc/05/58/11/210055811.db2.gz SGFHTLQATKTBJO-RBUKOAKNSA-N 1 0 364.474 3.026 40 0 FGABRO c1csc(C[NH2+][C@@H]2CCc3nc(NCc4ccccc4)ncc3C2)n1 ZINC000306129528 210052510 /nfs/dbraw/zinc/05/25/10/210052510.db2.gz IGDCPDAUGRBRTK-MRXNPFEDSA-N 1 0 351.479 3.192 40 0 FGABRO O=C(c1cc2c(s1)CCC2)N1CCO[C@]2(CCCC[C@@H]2[NH+]2CCCC2)C1 ZINC000306130479 210051345 /nfs/dbraw/zinc/05/13/45/210051345.db2.gz JHQXXFRWHSFIHE-PZJWPPBQSA-N 1 0 374.550 3.486 40 0 FGABRO Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@@H]1c1ccnc(Nc2ncccn2)c1 ZINC000257243354 223034236 /nfs/dbraw/zinc/03/42/36/223034236.db2.gz IGOVFQHSOKJXRL-GOSISDBHSA-N 1 0 363.469 3.303 40 0 FGABRO CCn1cc(-c2cc(C(=O)N3CCC[C@@]4(C)[C@@H]3CCCC[N@@H+]4C)on2)cn1 ZINC000257265352 223042653 /nfs/dbraw/zinc/04/26/53/223042653.db2.gz LYHYBWVNOZREBR-ICSRJNTNSA-N 1 0 371.485 3.037 40 0 FGABRO Cc1c[nH]c(-c2nccnc2C2CC[NH+](Cc3scnc3C)CC2)n1 ZINC000257276816 223046692 /nfs/dbraw/zinc/04/66/92/223046692.db2.gz NVGFOXLGVGNZKL-UHFFFAOYSA-N 1 0 354.483 3.320 40 0 FGABRO Cc1cccc(Nc2cnc([C@H]3CCC[N@@H+](Cc4cncn4C)C3)cn2)n1 ZINC000257299944 223057030 /nfs/dbraw/zinc/05/70/30/223057030.db2.gz RSGWZDGKYMITGX-INIZCTEOSA-N 1 0 363.469 3.037 40 0 FGABRO C[NH+](C)CC(=O)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257307205 223059781 /nfs/dbraw/zinc/05/97/81/223059781.db2.gz SXQSGPICVNVYLU-HNNXBMFYSA-N 1 0 361.873 3.186 40 0 FGABRO Clc1ncccc1-c1noc(CN2CCC([NH+]3CCCCC3)CC2)n1 ZINC000013992486 220101724 /nfs/dbraw/zinc/10/17/24/220101724.db2.gz FFGUHMZJUBBVCM-UHFFFAOYSA-N 1 0 361.877 3.235 40 0 FGABRO COc1ccc2nc(CN(CC[NH+](C)C)Cc3ccccn3)ccc2c1 ZINC000022913953 211367825 /nfs/dbraw/zinc/36/78/25/211367825.db2.gz YPHFFQMIKHPCQY-UHFFFAOYSA-N 1 0 350.466 3.202 40 0 FGABRO C[C@H]1C[C@@H](OC[C@H](O)C[NH+]2CCN(Cc3ccccc3)CC2)CC(C)(C)C1 ZINC000022588958 211356993 /nfs/dbraw/zinc/35/69/93/211356993.db2.gz SFIMEMADLNGLGG-KSEOMHKRSA-N 1 0 374.569 3.397 40 0 FGABRO C[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H]2[C@H]1CCCCCN2C(=O)[C@H]1CCCO1 ZINC000019590805 211239906 /nfs/dbraw/zinc/23/99/06/211239906.db2.gz LPRJCNMKLKCLMF-NMLBUPMWSA-N 1 0 360.473 3.174 40 0 FGABRO Cn1c2ccc(C[NH+]3CCC(Oc4cccc(F)c4)CC3)cc2n(C)c1=O ZINC000019657821 211242399 /nfs/dbraw/zinc/24/23/99/211242399.db2.gz KZHBQTLAVMRRTI-UHFFFAOYSA-N 1 0 369.440 3.060 40 0 FGABRO CCc1nccn1C[C@H](C)C(=O)N1CCCC[C@@H]1C[NH+]1CCCCCC1 ZINC000019523554 211227463 /nfs/dbraw/zinc/22/74/63/211227463.db2.gz XYRNGZFQEOGKTI-RBUKOAKNSA-N 1 0 360.546 3.339 40 0 FGABRO CCCNC(=O)c1cc([C@H]2CCC[N@H+](Cc3ccccc3OC)C2)no1 ZINC000019503716 211226374 /nfs/dbraw/zinc/22/63/74/211226374.db2.gz RPLXQIVLTUTOSB-HNNXBMFYSA-N 1 0 357.454 3.203 40 0 FGABRO Cc1cnc(-c2nnc([C@H]3CC[N@H+](Cc4ccccc4Cl)C3)o2)cn1 ZINC000019239190 211208536 /nfs/dbraw/zinc/20/85/36/211208536.db2.gz PVPICOALNLXFHR-AWEZNQCLSA-N 1 0 355.829 3.478 40 0 FGABRO O=c1cc(-c2ccncc2)nc([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)[nH]1 ZINC000019334054 211215538 /nfs/dbraw/zinc/21/55/38/211215538.db2.gz UTZQJQHDFKYZDK-QGZVFWFLSA-N 1 0 364.424 3.351 40 0 FGABRO Fc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(-c4cnccn4)o3)C2)cc1F ZINC000019292927 211214594 /nfs/dbraw/zinc/21/45/94/211214594.db2.gz ICNRSURGFCJITQ-CYBMUJFWSA-N 1 0 357.364 3.184 40 0 FGABRO COc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000015357110 211128493 /nfs/dbraw/zinc/12/84/93/211128493.db2.gz ZCDPRVRQIPJPAX-UHFFFAOYSA-N 1 0 374.506 3.160 40 0 FGABRO CC[NH+](CC)CCOC(=O)C(O)(c1ccc(C)cc1)c1ccc(C)cc1 ZINC000001711012 210368370 /nfs/dbraw/zinc/36/83/70/210368370.db2.gz KMMFOJSQYACPCG-UHFFFAOYSA-N 1 0 355.478 3.424 40 0 FGABRO CO[C@H]1CCCOC12CC[NH+](Cc1cnc(-c3ccccc3)nc1)CC2 ZINC000257308782 533234570 /nfs/dbraw/zinc/23/45/70/533234570.db2.gz TYBYRSYPUCIICC-IBGZPJMESA-N 1 0 353.466 3.304 40 0 FGABRO Cc1cc(CNC(=O)c2ncccc2-c2cccc(C[NH+](C)C)c2)on1 ZINC000257238630 533682140 /nfs/dbraw/zinc/68/21/40/533682140.db2.gz HLVWWZBBJPGFDR-UHFFFAOYSA-N 1 0 350.422 3.037 40 0 FGABRO COC[C@@H]1COCCC12CC[NH+](CCOc1ccc(Cl)cc1)CC2 ZINC000096106330 222024764 /nfs/dbraw/zinc/02/47/64/222024764.db2.gz BAJSYIDURUMULL-MRXNPFEDSA-N 1 0 353.890 3.484 40 0 FGABRO c1ccc(CC[NH+]2CCC3(C[C@@H](OCc4ccncc4)CO3)CC2)cc1 ZINC000096106847 222025230 /nfs/dbraw/zinc/02/52/30/222025230.db2.gz XUVAIIZGOSBUTQ-OAQYLSRUSA-N 1 0 352.478 3.464 40 0 FGABRO Fc1ccc(C[N@@H+]2CC[C@H]3OCC[C@@]3(COCc3cccnc3)C2)cc1 ZINC000096110396 222027536 /nfs/dbraw/zinc/02/75/36/222027536.db2.gz XJGLVHHNNNNVDM-RTWAWAEBSA-N 1 0 356.441 3.419 40 0 FGABRO Cc1ccsc1C[N@@H+]1CC[C@]2(C[C@H](OCC3CCOCC3)CO2)C1 ZINC000096110871 222029384 /nfs/dbraw/zinc/02/93/84/222029384.db2.gz LCGCHFZWZDFMFU-HKUYNNGSSA-N 1 0 351.512 3.233 40 0 FGABRO O=C(c1cccc2cccnc21)N1CCC2(C[C@@H]([NH+]3CCCC3)CO2)CC1 ZINC000096074143 222011966 /nfs/dbraw/zinc/01/19/66/222011966.db2.gz ISHDMRMDSIPHLO-GOSISDBHSA-N 1 0 365.477 3.094 40 0 FGABRO Cc1nc(C[NH+]2CCC3(C[C@@H](OCCO)c4ccccc43)CC2)cs1 ZINC000096079246 222015753 /nfs/dbraw/zinc/01/57/53/222015753.db2.gz OOLULJHDJHWBKR-LJQANCHMSA-N 1 0 358.507 3.439 40 0 FGABRO Fc1cccnc1N1CC[C@]2(C1)C[N@H+](Cc1ccccn1)CCC2(F)F ZINC000096239640 222096004 /nfs/dbraw/zinc/09/60/04/222096004.db2.gz QVFVCMWUJIGJJJ-GOSISDBHSA-N 1 0 362.399 3.353 40 0 FGABRO CC1=N[C@@]2(CC[C@@H]3C[N@H+](Cc4ccc(C)cc4)C[C@@H]32)C(=O)N1CC1CC1 ZINC000096261463 222104479 /nfs/dbraw/zinc/10/44/79/222104479.db2.gz PVMIPDWCRPAQSZ-RZUBCFFCSA-N 1 0 351.494 3.246 40 0 FGABRO c1c(-c2ccc3c(c2)OCCCO3)nc2n1C[C@H](C[NH2+]C1CCCC1)OC2 ZINC000096269409 222107014 /nfs/dbraw/zinc/10/70/14/222107014.db2.gz LJOWTINNHDIVPO-KRWDZBQOSA-N 1 0 369.465 3.142 40 0 biogenic,in-vitro FGABRO Cc1cccc(C[NH2+]C[C@H]2Cn3c(-c4ccc(F)cc4)cnc3CO2)n1 ZINC000096296384 222112353 /nfs/dbraw/zinc/11/23/53/222112353.db2.gz QOCMHEDSAVAUIM-SFHVURJKSA-N 1 0 352.413 3.081 40 0 biogenic,in-vitro FGABRO C[NH+](C)CCNC(=O)c1cc(-c2ccn(C3CCCC3)n2)n2ccccc12 ZINC000096154729 222056018 /nfs/dbraw/zinc/05/60/18/222056018.db2.gz AWONJHBLHSHIDG-UHFFFAOYSA-N 1 0 365.481 3.209 40 0 FGABRO Cc1occc1C(=O)N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC000096159277 222057940 /nfs/dbraw/zinc/05/79/40/222057940.db2.gz XXEKQCDCHPXYCI-UHFFFAOYSA-N 1 0 353.466 3.500 40 0 FGABRO O=C(N[C@@H]1COCCC12CC[NH+](Cc1ccoc1)CC2)c1ccccc1 ZINC000096209859 222080696 /nfs/dbraw/zinc/08/06/96/222080696.db2.gz NZOIZDMKXAGJRY-LJQANCHMSA-N 1 0 354.450 3.081 40 0 FGABRO C[C@@H](c1ccccc1F)n1cc(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)nn1 ZINC000004986376 493905539 /nfs/dbraw/zinc/90/55/39/493905539.db2.gz WVUUNZKCQDVQMJ-JYJNAYRXSA-N 1 0 373.476 3.019 40 0 FGABRO CC1CC[NH+](Cc2ccc(OCCN3CCCC3=O)c3ncccc23)CC1 ZINC000059474722 493906458 /nfs/dbraw/zinc/90/64/58/493906458.db2.gz XNUBZZKZZZEZAI-UHFFFAOYSA-N 1 0 367.493 3.468 40 0 FGABRO O=S(=O)(NCc1ccccc1C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000031075252 493922838 /nfs/dbraw/zinc/92/28/38/493922838.db2.gz MTJPMASVPFVDBS-UHFFFAOYSA-N 1 0 364.898 3.414 40 0 FGABRO COc1cccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000006297716 493958585 /nfs/dbraw/zinc/95/85/85/493958585.db2.gz QFMGLNXVDVIBHD-UHFFFAOYSA-N 1 0 369.490 3.418 40 0 FGABRO CC[NH+](CC)CCOC(=O)[C@](O)(c1ccccc1)c1cc(C)cc(C)c1 ZINC000006382278 493961474 /nfs/dbraw/zinc/96/14/74/493961474.db2.gz GQVUMCWXXJPOHD-QFIPXVFZSA-N 1 0 355.478 3.424 40 0 FGABRO CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000032896404 494024722 /nfs/dbraw/zinc/02/47/22/494024722.db2.gz RDLXMARCGZZLMH-FQEVSTJZSA-N 1 0 353.466 3.235 40 0 FGABRO COCCNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3CC(C)(C)C)n2)cn1 ZINC000035425202 494076442 /nfs/dbraw/zinc/07/64/42/494076442.db2.gz RYFYKOSJOCDHKW-HNNXBMFYSA-N 1 0 359.474 3.373 40 0 biogenic,in-vitro FGABRO [NH3+]Cc1cccc2c1C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21 ZINC000085210670 494112066 /nfs/dbraw/zinc/11/20/66/494112066.db2.gz QYOFURFPIKDPSO-UHFFFAOYSA-N 1 0 361.353 3.125 40 0 FGABRO COc1ccc(CCNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000009063477 494114138 /nfs/dbraw/zinc/11/41/38/494114138.db2.gz CYENUZHKVIACGF-UHFFFAOYSA-N 1 0 370.468 3.405 40 0 FGABRO COC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038834535 494119094 /nfs/dbraw/zinc/11/90/94/494119094.db2.gz PESXULKPAHJOOP-MRXNPFEDSA-N 1 0 370.424 3.463 40 0 FGABRO C[NH+]1CCN(c2ccc([C@@H]3CCCCN3C(=O)OC(C)(C)C)cn2)CC1 ZINC000072216551 494145323 /nfs/dbraw/zinc/14/53/23/494145323.db2.gz OCWNKNIIIMCCRB-KRWDZBQOSA-N 1 0 360.502 3.296 40 0 FGABRO Cc1cc(C)n2nc(C3=CC[N@H+](C[C@H](O)c4ccccc4F)CC3)cc2n1 ZINC000072342775 494154995 /nfs/dbraw/zinc/15/49/95/494154995.db2.gz XZALQBPNWLOUOC-FQEVSTJZSA-N 1 0 366.440 3.308 40 0 FGABRO Cc1nccn1-c1cncc([C@H]2CCC[N@H+](CCOc3ccccc3)C2)n1 ZINC000072355573 494157423 /nfs/dbraw/zinc/15/74/23/494157423.db2.gz MHFXLIFLZKZMBS-SFHVURJKSA-N 1 0 363.465 3.229 40 0 FGABRO Cc1cc(Oc2ccc(F)cc2)nc(C2CCN(C(=O)C(C)(C)[NH3+])CC2)n1 ZINC000072363077 494158404 /nfs/dbraw/zinc/15/84/04/494158404.db2.gz CNEXXIKTLNAWRN-UHFFFAOYSA-N 1 0 372.444 3.160 40 0 FGABRO COc1ccccc1CC(=O)N1CCC(c2cc(N(C)C)cc(C)[nH+]2)CC1 ZINC000072391706 494161857 /nfs/dbraw/zinc/16/18/57/494161857.db2.gz VOEPPCNWKCIHGN-UHFFFAOYSA-N 1 0 367.493 3.413 40 0 FGABRO C[C@@H]1CCC[N@H+](CC(=O)N2CCC(c3nc4ccccc4cc3N)CC2)C1 ZINC000012087798 494202476 /nfs/dbraw/zinc/20/24/76/494202476.db2.gz QIPPBUVFJSBLCR-MRXNPFEDSA-N 1 0 366.509 3.255 40 0 FGABRO C[C@H]1CCC[N@H+](CC(=O)N2CCC(c3nc4ccccc4cc3N)CC2)C1 ZINC000012087799 494202500 /nfs/dbraw/zinc/20/25/00/494202500.db2.gz QIPPBUVFJSBLCR-INIZCTEOSA-N 1 0 366.509 3.255 40 0 FGABRO COc1ccc(C2(O)CC[NH+](C[C@H](O)c3ccc(C)c(C)c3)CC2)cc1 ZINC000012292235 494218752 /nfs/dbraw/zinc/21/87/52/494218752.db2.gz XAIWFUNHGPDQJU-NRFANRHFSA-N 1 0 355.478 3.329 40 0 FGABRO CCOc1ccc([C@@H](O)C[NH+]2CCC(O)(c3ccccc3F)CC2)cc1 ZINC000012292364 494219000 /nfs/dbraw/zinc/21/90/00/494219000.db2.gz PBGANQKPNJZOHW-FQEVSTJZSA-N 1 0 359.441 3.241 40 0 FGABRO CCc1ncc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ccc(OC)cc2)cn1 ZINC000012361664 494226695 /nfs/dbraw/zinc/22/66/95/494226695.db2.gz PMBUUPNTWARAON-QIDMFYOTSA-N 1 0 367.493 3.167 40 0 FGABRO COc1cccc(O[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000044872863 494385355 /nfs/dbraw/zinc/38/53/55/494385355.db2.gz BIJGENDWPRPPCK-KRWDZBQOSA-N 1 0 368.477 3.375 40 0 FGABRO COc1cc(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4ccc(F)cc4)[C@@H]3C2)ccc1O ZINC000019550042 494448469 /nfs/dbraw/zinc/44/84/69/494448469.db2.gz VIWZXVCCPCEWEL-RRMPHLOHSA-N 1 0 357.425 3.270 40 0 FGABRO CC[C@@H](OC[C@@H](O)C[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000024302536 494619827 /nfs/dbraw/zinc/61/98/27/494619827.db2.gz NMAYQELHCDLDNH-FCHUYYIVSA-N 1 0 354.494 3.337 40 0 FGABRO CC[C@H](OC[C@H](O)C[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000024302554 494619945 /nfs/dbraw/zinc/61/99/45/494619945.db2.gz NMAYQELHCDLDNH-YADHBBJMSA-N 1 0 354.494 3.337 40 0 FGABRO Clc1ccccc1C[N@@H+]1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 ZINC000108536071 494731434 /nfs/dbraw/zinc/73/14/34/494731434.db2.gz MQEODXMBSHOQMF-PMACEKPBSA-N 1 0 357.885 3.210 40 0 FGABRO CC[NH+](CC)CCCNCC(=O)Nc1ccc(C)c(Br)c1 ZINC000026440604 494826192 /nfs/dbraw/zinc/82/61/92/494826192.db2.gz JHRWFZOVDCFBBX-UHFFFAOYSA-N 1 0 356.308 3.018 40 0 FGABRO O=C(Nc1cccnc1)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3cccs3)C[C@H]21 ZINC000096043362 494998510 /nfs/dbraw/zinc/99/85/10/494998510.db2.gz HJVIZPPTNVRRBD-FGTMMUONSA-N 1 0 357.479 3.009 40 0 FGABRO O=C(Cc1cccnc1)N1CCC[C@@]2(CC[N@@H+](Cc3ccc(F)cc3)C2)C1 ZINC000096047122 494998534 /nfs/dbraw/zinc/99/85/34/494998534.db2.gz CVPCGKOAUGHPCH-QFIPXVFZSA-N 1 0 367.468 3.278 40 0 FGABRO Cc1ccc(C[NH+]2CCC3(CC2)CN(C(=O)c2ccccc2)CCO3)o1 ZINC000096049002 494999405 /nfs/dbraw/zinc/99/94/05/494999405.db2.gz ULJHAIYWMRLOPR-UHFFFAOYSA-N 1 0 354.450 3.095 40 0 FGABRO Cc1ccc(C[NH+]2CCC3(CC2)CN(Cc2cccnc2)CCO3)s1 ZINC000096048934 494999799 /nfs/dbraw/zinc/99/97/99/494999799.db2.gz UKECPLVZHYIJNP-UHFFFAOYSA-N 1 0 357.523 3.319 40 0 FGABRO Cc1ccc(CN2Cc3cncn3[C@@H](COCc3ccncc3)C2)s1 ZINC000248082089 496952874 /nfs/dbraw/zinc/95/28/74/496952874.db2.gz JEEOHUOBEDNMMU-GOSISDBHSA-N 1 0 354.479 3.422 40 0 FGABRO CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1ccc(-n2ccnc2)cc1 ZINC000216440238 496989858 /nfs/dbraw/zinc/98/98/58/496989858.db2.gz WUZNAWMNFHOHTL-HXUWFJFHSA-N 1 0 365.433 3.355 40 0 FGABRO Cc1ccsc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCC[NH+](C)C ZINC000223210950 497033068 /nfs/dbraw/zinc/03/30/68/497033068.db2.gz PPLYKAGJGPYXLS-JKSUJKDBSA-N 1 0 360.552 3.376 40 0 FGABRO CCOc1ccc(NC(=S)N2CC[NH+](C3CCSCC3)CC2)cc1 ZINC000225217569 497058768 /nfs/dbraw/zinc/05/87/68/497058768.db2.gz VOTXQXAWXFWILJ-UHFFFAOYSA-N 1 0 365.568 3.295 40 0 FGABRO O=C(c1ccccc1)[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@]1(O)c1ccccc1 ZINC000245227492 497377789 /nfs/dbraw/zinc/37/77/89/497377789.db2.gz OXNBIVVBRPSTQX-FUPPJEDESA-N 1 0 365.473 3.258 40 0 FGABRO C[NH+](C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2cccnc2)CC1 ZINC000257237075 497393574 /nfs/dbraw/zinc/39/35/74/497393574.db2.gz HFBNROMBRVZSAM-JLMWRMLUSA-N 1 0 366.509 3.245 40 0 FGABRO Cc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000332306888 498642659 /nfs/dbraw/zinc/64/26/59/498642659.db2.gz MEGIXGATGAPICQ-QAPCUYQASA-N 1 0 362.495 3.262 40 0 FGABRO C[NH+](C)CCCNc1nc(Nc2ccc(F)cc2)cc(-c2ccncc2)n1 ZINC000329033334 499021460 /nfs/dbraw/zinc/02/14/60/499021460.db2.gz QTRGLYVDFPSDHY-UHFFFAOYSA-N 1 0 366.444 3.207 40 0 FGABRO O=C(C[C@@H]1Cn2cccc2C[N@H+](Cc2cccs2)C1)NCc1ccco1 ZINC000585099081 507565783 /nfs/dbraw/zinc/56/57/83/507565783.db2.gz JHKXHKLKFHREMT-INIZCTEOSA-N 1 0 369.490 3.481 40 0 FGABRO Cc1ccc2ncc(C[NH+]3CCC4(CC(NC(=O)OCCF)C4)CC3)n2c1 ZINC000585102944 507567806 /nfs/dbraw/zinc/56/78/06/507567806.db2.gz JQUOXZWENPOQRQ-UHFFFAOYSA-N 1 0 374.460 3.083 40 0 FGABRO C[N@@H+](Cc1cccnc1)C[C@@H]1CCC2(CN(Cc3ccsc3)C2)OC1 ZINC000585103244 507568174 /nfs/dbraw/zinc/56/81/74/507568174.db2.gz AJWQFMKKRHWCKN-SFHVURJKSA-N 1 0 357.523 3.256 40 0 FGABRO Cc1ccccc1C[N@@H+]1CCOC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC000585104079 507569973 /nfs/dbraw/zinc/56/99/73/507569973.db2.gz IWLDMHNSYXEZDR-JOCHJYFZSA-N 1 0 368.452 3.390 40 0 FGABRO C[N@@H+](Cc1cccnc1)C[C@@H]1CCC2(CN(Cc3ccc(F)cc3)C2)OC1 ZINC000585105182 507570260 /nfs/dbraw/zinc/57/02/60/507570260.db2.gz PSKQGAPDTNMETN-FQEVSTJZSA-N 1 0 369.484 3.334 40 0 FGABRO CC(=O)N1C[C@@H](COCC2CC2)C2(C1)CC[NH+](CCc1ccccc1)CC2 ZINC000585103806 507571055 /nfs/dbraw/zinc/57/10/55/507571055.db2.gz RHVVBNSIBPDTPT-QFIPXVFZSA-N 1 0 370.537 3.216 40 0 FGABRO CCc1ccccc1C(=O)N1CCC2(CO[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000585105318 507571997 /nfs/dbraw/zinc/57/19/97/507571997.db2.gz SYOIEHOHNVBPIP-IBGZPJMESA-N 1 0 356.510 3.356 40 0 FGABRO Cc1ccc(OC[C@@H](O)C[NH2+]Cc2cc3ccc(C)cc3[nH]c2=O)cc1 ZINC000585285606 507584009 /nfs/dbraw/zinc/58/40/09/507584009.db2.gz QYCAFGXPLDQNMA-SFHVURJKSA-N 1 0 352.434 3.087 40 0 FGABRO FC(F)(F)c1nc(-c2cncc([C@@H]3CCC[N@H+](CC4CC4)C3)n2)no1 ZINC000585290691 507586910 /nfs/dbraw/zinc/58/69/10/507586910.db2.gz TYEVMGAMGPZOHU-LLVKDONJSA-N 1 0 353.348 3.135 40 0 FGABRO Cc1cc(Nc2cnccn2)cc(C2CCN(C(=O)c3ccccn3)CC2)[nH+]1 ZINC000257288035 534005446 /nfs/dbraw/zinc/00/54/46/534005446.db2.gz PSNPGMGCNSBHIF-UHFFFAOYSA-N 1 0 374.448 3.338 40 0 FGABRO C[C@]12C[C@@H](c3ccccc3)N(C(=O)c3cnccn3)[C@H]1CCCCC[NH2+]2 ZINC000257335777 534188925 /nfs/dbraw/zinc/18/89/25/534188925.db2.gz YLUZAFHSYKFENK-ZJOUEHCJSA-N 1 0 350.466 3.355 40 0 FGABRO Cc1noc(C)c1CCC(=O)N1CCC[C@H]1c1cccc(C[NH+](C)C)n1 ZINC000257229743 534336992 /nfs/dbraw/zinc/33/69/92/534336992.db2.gz FZHZSSJGVMONME-IBGZPJMESA-N 1 0 356.470 3.044 40 0 FGABRO Fc1ccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4cccnc4)C2)OC3)cc1 ZINC000306137224 534452999 /nfs/dbraw/zinc/45/29/99/534452999.db2.gz QPRFBYLMJLAYBH-OAQYLSRUSA-N 1 0 364.424 3.259 40 0 FGABRO Cc1nc([C@]2(C)CCCN(C(=O)CC[NH+]3CCCCC3)C2)c2sccn12 ZINC000257336148 534616138 /nfs/dbraw/zinc/61/61/38/534616138.db2.gz YNKBWELGPWBCQL-HXUWFJFHSA-N 1 0 374.554 3.460 40 0 FGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCc1ccc(OC)c(OC)c1 ZINC000020111404 523167193 /nfs/dbraw/zinc/16/71/93/523167193.db2.gz CHBZRFNITJIIGT-GOSISDBHSA-N 1 0 362.514 3.407 40 0 FGABRO CC(=O)Nc1ncc(-c2nccnc2CC2CC[NH+](C(C)C)CC2)s1 ZINC000257323178 527103144 /nfs/dbraw/zinc/10/31/44/527103144.db2.gz WJAXMPHURTZIAS-UHFFFAOYSA-N 1 0 359.499 3.221 40 0 FGABRO CCNc1cc(N2CCc3cc(C(=O)OC)ccc3C2)nc(C(C)C)[nH+]1 ZINC000328979193 535522847 /nfs/dbraw/zinc/52/28/47/535522847.db2.gz GEIBBKWCFNSNLR-UHFFFAOYSA-N 1 0 354.454 3.381 40 0 FGABRO OCC[C@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000624289069 571145704 /nfs/dbraw/zinc/14/57/04/571145704.db2.gz DBOAYYGZVBRDJX-MSOLQXFVSA-N 1 0 373.324 3.260 40 0 FGABRO CC[NH+](CC)CCNc1nc(Cl)nc(Nc2cc(F)cc(F)c2)n1 ZINC000199799102 210172677 /nfs/dbraw/zinc/17/26/77/210172677.db2.gz HJEKOZWGMXLCSF-UHFFFAOYSA-N 1 0 356.808 3.301 40 0 FGABRO CNC(=O)c1sc2ccccc2c1[C@H]1CC[N@H+](Cc2cn(C)nc2C)C1 ZINC000257199964 529954704 /nfs/dbraw/zinc/95/47/04/529954704.db2.gz ABMDHBOVHIYEHX-AWEZNQCLSA-N 1 0 368.506 3.292 40 0 FGABRO CN(Cc1ccc(Cl)cc1)[C@H]1[C@H]([NH3+])CC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257215630 529985502 /nfs/dbraw/zinc/98/55/02/529985502.db2.gz CQYKSUJENIZEKH-ZRNYENFQSA-N 1 0 360.885 3.070 40 0 FGABRO Cc1ccc(Nc2cc(C(F)(F)F)nc(NCC[NH+](C)C)n2)cc1Cl ZINC000329025288 210130584 /nfs/dbraw/zinc/13/05/84/210130584.db2.gz PFILAEFEOYQQTI-UHFFFAOYSA-N 1 0 373.810 3.018 40 0 FGABRO CCCOc1ccc(N2C(=O)C[C@H]([N@H+]3C[C@@H]4CCCC[C@@H]4C3)C2=O)cc1 ZINC000100237947 210084152 /nfs/dbraw/zinc/08/41/52/210084152.db2.gz SGNKJFGZXJBOKV-FCEWJHQRSA-N 1 0 356.466 3.229 40 0 FGABRO Cc1cccc(C[N@@H+]2CC[C@]3(CN(Cc4cccnc4)c4cccnc43)C2)n1 ZINC000306142536 210057445 /nfs/dbraw/zinc/05/74/45/210057445.db2.gz XCLRMVWHOGURCN-HSZRJFAPSA-N 1 0 371.488 3.344 40 0 FGABRO Cc1cccc(C[N@@H+]2C[C@@H]3[C@H](C2)N(Cc2ccccn2)C(=O)c2cccn23)c1 ZINC000306123399 210049520 /nfs/dbraw/zinc/04/95/20/210049520.db2.gz AMAWWDVYRWPEMD-YADHBBJMSA-N 1 0 372.472 3.273 40 0 FGABRO Cc1nc(C[N@@H+]2CCC[C@@]3(CN(Cc4cccnc4)CCO3)CC2)cs1 ZINC000306126307 210049117 /nfs/dbraw/zinc/04/91/17/210049117.db2.gz DSDBRIRTDUBMFI-FQEVSTJZSA-N 1 0 372.538 3.104 40 0 FGABRO Cc1ccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4ccccn4)C2)OC3)cc1 ZINC000306126155 210048860 /nfs/dbraw/zinc/04/88/60/210048860.db2.gz DOMPJLXWTJWSNX-JOCHJYFZSA-N 1 0 360.461 3.428 40 0 FGABRO c1cnc2c(c1)N(Cc1cccnc1)C[C@]21CC[N@H+](Cc2cccnc2)C1 ZINC000306124554 210048602 /nfs/dbraw/zinc/04/86/02/210048602.db2.gz BTNGITUORWVNJP-JOCHJYFZSA-N 1 0 357.461 3.036 40 0 FGABRO Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c1cc[nH+]cc1 ZINC000000686141 219313440 /nfs/dbraw/zinc/31/34/40/219313440.db2.gz ZAIYJOXKHRMYMI-XDHOZWIPSA-N 1 0 372.453 3.259 40 0 FGABRO Cc1ncsc1C[N@H+]1CCC[C@H](c2cncc(-c3nccn3C)n2)C1 ZINC000257273061 223045125 /nfs/dbraw/zinc/04/51/25/223045125.db2.gz NFCKEUYZRUIUNB-AWEZNQCLSA-N 1 0 354.483 3.022 40 0 FGABRO [NH3+]Cc1cnn(-c2ccccc2C(=O)NCc2cccc(C(F)(F)F)c2)c1 ZINC000257285174 223050871 /nfs/dbraw/zinc/05/08/71/223050871.db2.gz PFYONGNUDXGWIL-UHFFFAOYSA-N 1 0 374.366 3.280 40 0 FGABRO Cc1csc(Nc2cc(C)nc([C@H]3CC[N@@H+](C4CCOCC4)C3)n2)n1 ZINC000257290792 223052604 /nfs/dbraw/zinc/05/26/04/223052604.db2.gz QEIWFFDCPSKJND-AWEZNQCLSA-N 1 0 359.499 3.262 40 0 FGABRO CC1CC[NH+](CCCNC(=O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000061553597 212024922 /nfs/dbraw/zinc/02/49/22/212024922.db2.gz IHNSKGYUSBHCKV-UHFFFAOYSA-N 1 0 358.404 3.322 40 0 FGABRO CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1ccccc1 ZINC000059616879 212017285 /nfs/dbraw/zinc/01/72/85/212017285.db2.gz WBPLFGZLXPQFKC-NRFANRHFSA-N 1 0 352.478 3.326 40 0 FGABRO CCc1cccc2cc(C[NH2+]CCc3ccc(OC)c(OC)c3)c(=O)[nH]c21 ZINC000013566552 220075317 /nfs/dbraw/zinc/07/53/17/220075317.db2.gz GHHIZXGQNFGQFW-UHFFFAOYSA-N 1 0 366.461 3.440 40 0 FGABRO COc1ccc(CC[NH2+]Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1OC ZINC000013999134 220101718 /nfs/dbraw/zinc/10/17/18/220101718.db2.gz RVLSWKJRCZGPCO-UHFFFAOYSA-N 1 0 366.461 3.494 40 0 FGABRO CCn1cc(-c2cc(C(=O)Nc3ccccc3C[NH+]3CCCC3)no2)cn1 ZINC000019719241 211251193 /nfs/dbraw/zinc/25/11/93/211251193.db2.gz OBOIDFWXWJVTFC-UHFFFAOYSA-N 1 0 365.437 3.406 40 0 FGABRO COCCc1ncc(C[NH2+][C@@H]2[C@@H]3CCC[C@H]3[C@H]2c2ccc(OC)cc2)cn1 ZINC000019593863 211240246 /nfs/dbraw/zinc/24/02/46/211240246.db2.gz ZKZGUBXMSZHZFR-UGESXGAOSA-N 1 0 367.493 3.346 40 0 FGABRO C[N@@H+]1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)Cc1cccnc1 ZINC000019590187 211238685 /nfs/dbraw/zinc/23/86/85/211238685.db2.gz DUNWUKDGYDDKKM-MQSCRBSSSA-N 1 0 363.505 3.493 40 0 FGABRO CN(C)c1nc2ccccc2cc1CN(CC[NH+](C)C)Cc1ccccn1 ZINC000019582622 211237805 /nfs/dbraw/zinc/23/78/05/211237805.db2.gz HXMCPESBXFUTPZ-UHFFFAOYSA-N 1 0 363.509 3.260 40 0 FGABRO C[N@@H+]1CCC[C@H](c2ncc3c(n2)CCN(C(=O)CC2CCCCC2)C3)C1 ZINC000019588562 211237823 /nfs/dbraw/zinc/23/78/23/211237823.db2.gz MHICTCPSCPJGJI-KRWDZBQOSA-N 1 0 356.514 3.141 40 0 FGABRO C[NH+](C)C1CCC2(CC1)CN(C(=O)c1cccnc1)Cc1ccccc1O2 ZINC000019583938 211237255 /nfs/dbraw/zinc/23/72/55/211237255.db2.gz NDXCUGXXHRIUMO-UHFFFAOYSA-N 1 0 365.477 3.359 40 0 FGABRO COc1cc(C)c(C[N@@H+]2CCC[C@H](c3nn(C)c4nccnc34)C2)cc1C ZINC000019567313 211236366 /nfs/dbraw/zinc/23/63/66/211236366.db2.gz AOMCKCOQWUQXMQ-INIZCTEOSA-N 1 0 365.481 3.368 40 0 FGABRO COc1c(C[NH2+]CC2(c3cc(C)cc(C)c3)CCOCC2)c(C)nn1C ZINC000019569619 211235069 /nfs/dbraw/zinc/23/50/69/211235069.db2.gz CIEZKWCKBDSQSR-UHFFFAOYSA-N 1 0 357.498 3.192 40 0 FGABRO Cc1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+]CCc3cccs3)cc12 ZINC000019565320 211233975 /nfs/dbraw/zinc/23/39/75/211233975.db2.gz NRTQKNKEVDWJDV-UHFFFAOYSA-N 1 0 364.474 3.416 40 0 FGABRO CCN1CC[NH+](C2CCN(C(=O)c3oc4ccc(C)cc4c3C)CC2)CC1 ZINC000019528132 211227957 /nfs/dbraw/zinc/22/79/57/211227957.db2.gz FKZJDTTXYFJREQ-UHFFFAOYSA-N 1 0 369.509 3.292 40 0 FGABRO Cn1cc([C@@H]2CN(Cc3ccccc3OC(F)F)C[C@H]2[NH3+])c2ccncc21 ZINC000019290469 211211342 /nfs/dbraw/zinc/21/13/42/211211342.db2.gz BRTZXCZTWRVRKT-DLBZAZTESA-N 1 0 372.419 3.101 40 0 FGABRO CC(C)[N@@H+]1CCC[C@](Cc2cc(-c3ccccc3)no2)(C(=O)N(C)C)C1 ZINC000019447904 211220501 /nfs/dbraw/zinc/22/05/01/211220501.db2.gz BXJWOAGBAYGYBJ-OAQYLSRUSA-N 1 0 355.482 3.463 40 0 FGABRO CCCOc1ccc(N2C(=O)C[C@H]([N@H+]3C[C@@H]4CC=CC[C@@H]4C3)C2=O)cc1 ZINC000015080375 211121981 /nfs/dbraw/zinc/12/19/81/211121981.db2.gz JTNADPGVQNUSEX-FCEWJHQRSA-N 1 0 354.450 3.005 40 0 FGABRO COc1ccc(C2(O)CC[NH+](C[C@@H](O)c3ccc(C)c(C)c3)CC2)cc1 ZINC000012292233 210935008 /nfs/dbraw/zinc/93/50/08/210935008.db2.gz XAIWFUNHGPDQJU-OAQYLSRUSA-N 1 0 355.478 3.329 40 0 FGABRO COc1ccc(C[NH+](C)C)cc1[C@H]1C[C@@H](NC(C)=O)[C@@H]2CCCC[C@H]2O1 ZINC000257308306 533536814 /nfs/dbraw/zinc/53/68/14/533536814.db2.gz TWGPOTFVGRVXIV-RCVZYCBYSA-N 1 0 360.498 3.282 40 0 FGABRO COc1ccc(CCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1C ZINC000222799821 132277838 /nfs/dbraw/zinc/27/78/38/132277838.db2.gz NGIHQHKMAPLQBL-UHFFFAOYSA-N 1 0 367.493 3.327 40 0 FGABRO CC(C)c1nc(N2CCc3cc([C@H](C)O)ccc3C2)cc(N[C@H](C)CO)[nH+]1 ZINC000329019895 132372675 /nfs/dbraw/zinc/37/26/75/132372675.db2.gz NYXFIDQVYQTSII-CABCVRRESA-N 1 0 370.497 3.009 40 0 FGABRO COc1ccccc1N1CC[NH+](CCC[C@H](O)c2ccc(F)cc2)CC1 ZINC000004211966 132386557 /nfs/dbraw/zinc/38/65/57/132386557.db2.gz LCZRXFYSMJIDQQ-FQEVSTJZSA-N 1 0 358.457 3.470 40 0 in-man FGABRO Cc1cccc(N2CC[NH+](C[C@@H](O)c3c[nH]c4ccc(F)cc43)CC2)c1 ZINC000019235111 136152360 /nfs/dbraw/zinc/15/23/60/136152360.db2.gz KFRQIVSIHDGELR-OAQYLSRUSA-N 1 0 353.441 3.471 40 0 FGABRO c1csc(C[NH+]2CCC3(C[C@H](OCC4CCOCC4)CO3)CC2)c1 ZINC000096106678 222024706 /nfs/dbraw/zinc/02/47/06/222024706.db2.gz JHHMSAJFXQLVTL-KRWDZBQOSA-N 1 0 351.512 3.315 40 0 FGABRO c1ccc(COC[C@H]2CC3(CO2)CC[NH+](Cc2cccnc2)CC3)nc1 ZINC000096106177 222025297 /nfs/dbraw/zinc/02/52/97/222025297.db2.gz TYVTYQMFSKIWNM-HXUWFJFHSA-N 1 0 353.466 3.065 40 0 FGABRO CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3nccs3)CC2)c2ccccc21 ZINC000096052571 222003634 /nfs/dbraw/zinc/00/36/34/222003634.db2.gz NPRGOFLZLVGJME-OAHLLOKOSA-N 1 0 355.507 3.300 40 0 FGABRO CN(C)c1cc([C@@H]2c3ccccc3CCCN2C(=O)[C@H]2CCOC2)ccn1 ZINC000096087143 222018511 /nfs/dbraw/zinc/01/85/11/222018511.db2.gz RFCXIUNISPGZOO-GHTZIAJQSA-N 1 0 365.477 3.048 40 0 FGABRO Cc1ccc(C[NH+]2CCC3(CN(S(=O)(=O)Cc4ccccc4)C3)CC2)o1 ZINC000096203027 222074413 /nfs/dbraw/zinc/07/44/13/222074413.db2.gz STGJCBLJHONAKZ-UHFFFAOYSA-N 1 0 374.506 3.016 40 0 FGABRO O=C(N[C@@H]1CCO[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccsc1 ZINC000096206613 222076573 /nfs/dbraw/zinc/07/65/73/222076573.db2.gz JUOBROQQKGVNJH-UYAOXDASSA-N 1 0 356.491 3.302 40 0 FGABRO O=C(N[C@H]1CCO[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccsc1 ZINC000096209549 222079413 /nfs/dbraw/zinc/07/94/13/222079413.db2.gz JUOBROQQKGVNJH-AZUAARDMSA-N 1 0 356.491 3.302 40 0 FGABRO COc1ccc(C[NH+]2CCC3(C[C@H](Nc4ccccn4)CO3)CC2)cc1 ZINC000096221285 222085642 /nfs/dbraw/zinc/08/56/42/222085642.db2.gz IDSZQQDTGVSHHW-SFHVURJKSA-N 1 0 353.466 3.326 40 0 FGABRO COc1cccc(C(=O)N[C@@H](c2ccccn2)[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000100750007 222251996 /nfs/dbraw/zinc/25/19/96/222251996.db2.gz DAWFYTSCWRHPQS-GQIGUUNPSA-N 1 0 353.466 3.326 40 0 FGABRO CC[C@@H](C)c1ccccc1OC[C@H](O)C[N@H+](CCO)Cc1ccccc1 ZINC000006440505 493963847 /nfs/dbraw/zinc/96/38/47/493963847.db2.gz LUARTIXBNIEQLK-UYAOXDASSA-N 1 0 357.494 3.434 40 0 FGABRO CC[C@H](C)c1ccccc1OC[C@@H](O)C[N@H+](CCO)Cc1ccccc1 ZINC000006449920 493964269 /nfs/dbraw/zinc/96/42/69/493964269.db2.gz LUARTIXBNIEQLK-ICSRJNTNSA-N 1 0 357.494 3.434 40 0 FGABRO O=C(Cc1ccccc1)NC(=S)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000006548463 493966919 /nfs/dbraw/zinc/96/69/19/493966919.db2.gz UMZGTFMDCRMUBO-UHFFFAOYSA-N 1 0 353.491 3.338 40 0 FGABRO Cc1cccc(C[NH+]2CCC(C(=O)N3CC(=O)Nc4ccccc43)CC2)c1 ZINC000039759843 494124131 /nfs/dbraw/zinc/12/41/31/494124131.db2.gz PVTDBEVZKRCBOA-UHFFFAOYSA-N 1 0 363.461 3.192 40 0 FGABRO COC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000039743756 494124193 /nfs/dbraw/zinc/12/41/93/494124193.db2.gz ADHOVNKVKWWMGD-UHFFFAOYSA-N 1 0 352.434 3.324 40 0 FGABRO Cc1cc(C)n2nc(C3=CC[N@H+](C[C@H](O)c4ccc(F)cc4)CC3)cc2n1 ZINC000072342773 494154747 /nfs/dbraw/zinc/15/47/47/494154747.db2.gz SOKUSVMZRBZFFL-FQEVSTJZSA-N 1 0 366.440 3.308 40 0 FGABRO C[NH+](C)CC(=O)N1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000072350120 494155839 /nfs/dbraw/zinc/15/58/39/494155839.db2.gz QSEQXIAUUVMNNR-QGZVFWFLSA-N 1 0 355.457 3.079 40 0 FGABRO COc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)C[NH+](C)C)C2)n1 ZINC000072350109 494156163 /nfs/dbraw/zinc/15/61/63/494156163.db2.gz KBSVWJJLLCZKPR-MRXNPFEDSA-N 1 0 353.466 3.025 40 0 FGABRO Nc1cc(C2CC[NH+](Cc3ccccc3F)CC2)nc(-c2cnccn2)n1 ZINC000072352937 494156449 /nfs/dbraw/zinc/15/64/49/494156449.db2.gz LFMSRPJVSSUPGU-UHFFFAOYSA-N 1 0 364.428 3.035 40 0 FGABRO O=C(C1CCC1)N1CC[N@H+](Cc2ccccc2)C[C@H](Cc2ccccn2)C1 ZINC000072355150 494156865 /nfs/dbraw/zinc/15/68/65/494156865.db2.gz DXPJCEFDBJJKPX-FQEVSTJZSA-N 1 0 363.505 3.385 40 0 FGABRO O=C(C[NH+]1CCCC1)N1CCC[C@H](c2nccnc2-c2cccc(F)c2)C1 ZINC000072358996 494157274 /nfs/dbraw/zinc/15/72/74/494157274.db2.gz IIRKANLYBPKESS-KRWDZBQOSA-N 1 0 368.456 3.085 40 0 FGABRO CN(CCC[NH+](C)C)C(=O)c1cccn2cc(-c3ccc(F)cc3)nc12 ZINC000072391715 494162328 /nfs/dbraw/zinc/16/23/28/494162328.db2.gz JKQLIQIZUHVYOU-UHFFFAOYSA-N 1 0 354.429 3.164 40 0 FGABRO C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCC(c2ccc3c(c2)OCO3)CC1 ZINC000012113984 494204652 /nfs/dbraw/zinc/20/46/52/494204652.db2.gz UJUJZXXDKOFPPD-HZPDHXFCSA-N 1 0 358.482 3.384 40 0 FGABRO CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1 ZINC000012147459 494208947 /nfs/dbraw/zinc/20/89/47/494208947.db2.gz VLKZUSFRWCCRDU-KRWDZBQOSA-N 1 0 352.482 3.226 40 0 FGABRO CC(C)c1cc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+]2CCCC2)n(C)n1 ZINC000012199337 494213480 /nfs/dbraw/zinc/21/34/80/494213480.db2.gz XTTUZQSZYQICOF-LJQANCHMSA-N 1 0 358.461 3.250 40 0 FGABRO Cc1c(NC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(=O)n(-c2ccccc2)n1C ZINC000017610821 494415924 /nfs/dbraw/zinc/41/59/24/494415924.db2.gz ZFDYZXJCXKXKIW-MJGOQNOKSA-N 1 0 354.498 3.161 40 0 FGABRO CC(C)N(C[C@H]1CCC[NH2+]1)S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000079440474 494455115 /nfs/dbraw/zinc/45/51/15/494455115.db2.gz UDXBJJHUAJUETI-GFCCVEGCSA-N 1 0 351.299 3.145 40 0 FGABRO COc1ccccc1CNC(=O)c1cc([C@H]2CC[N@H+](CC(C)(C)C)C2)n[nH]1 ZINC000019707803 494456008 /nfs/dbraw/zinc/45/60/08/494456008.db2.gz AOFFCUBIRZHNAE-INIZCTEOSA-N 1 0 370.497 3.184 40 0 FGABRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CC[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019713229 494456179 /nfs/dbraw/zinc/45/61/79/494456179.db2.gz FYMFCGYXJWYZPA-VQTJNVASSA-N 1 0 370.472 3.261 40 0 FGABRO O[C@]1(c2ccccc2)CC[N@H+](Cc2ccccc2OC[C@H]2CCCO2)C1 ZINC000247955717 496933001 /nfs/dbraw/zinc/93/30/01/496933001.db2.gz NENIBONWCBTBBS-IFMALSPDSA-N 1 0 353.462 3.338 40 0 FGABRO C[NH+](C)C[C@@H]1Cn2nccc2CN(C(=O)c2cc3cc(Cl)ccc3o2)C1 ZINC000248139269 496961418 /nfs/dbraw/zinc/96/14/18/496961418.db2.gz SSBBDXPWSUJTRN-ZDUSSCGKSA-N 1 0 372.856 3.117 40 0 FGABRO CCc1ccc(C(=O)N2CCC3(C[N@H+](C)C[C@H]3COCC3CC3)CC2)cc1 ZINC000248141304 496961665 /nfs/dbraw/zinc/96/16/65/496961665.db2.gz QHVUVWUVWXCVPJ-NRFANRHFSA-N 1 0 370.537 3.460 40 0 FGABRO Cc1ccsc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCC[NH+](C)C ZINC000223210776 497032757 /nfs/dbraw/zinc/03/27/57/497032757.db2.gz PPLYKAGJGPYXLS-CVEARBPZSA-N 1 0 360.552 3.376 40 0 FGABRO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1cc(C)c(OC)cc1C ZINC000224674486 497052127 /nfs/dbraw/zinc/05/21/27/497052127.db2.gz QBUZDDLGRKLBRL-KRWDZBQOSA-N 1 0 368.543 3.245 40 0 FGABRO O=C(c1ccccc1)[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@]1(O)c1ccccc1 ZINC000226741801 497084897 /nfs/dbraw/zinc/08/48/97/497084897.db2.gz OXNBIVVBRPSTQX-QNWVGRARSA-N 1 0 365.473 3.258 40 0 FGABRO CC(C)(C)OC(=O)N[C@@H]1CCN([C@H](C[NH3+])c2ccc(C(F)(F)F)cc2)C1 ZINC000255963057 497382034 /nfs/dbraw/zinc/38/20/34/497382034.db2.gz ASGBDICQONEGBH-HUUCEWRRSA-N 1 0 373.419 3.304 40 0 FGABRO COc1ccc(CCC(=O)N2CCC[C@]3(CCC[N@@H+]3C)CC2)c(OC)c1 ZINC000585100174 507566271 /nfs/dbraw/zinc/56/62/71/507566271.db2.gz HCEWXCVUJPJAIA-OAQYLSRUSA-N 1 0 360.498 3.113 40 0 FGABRO O=C(c1cc(Cl)ccc1F)N1CCC[C@@]2(CC[N@@H+]2C[C@@H]2CCCO2)C1 ZINC000585101833 507567900 /nfs/dbraw/zinc/56/79/00/507567900.db2.gz IKFISZCAJDJKJL-HNAYVOBHSA-N 1 0 366.864 3.339 40 0 FGABRO O=C([C@H]1CCCO1)N1CCC[C@@]2(CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100417 507568427 /nfs/dbraw/zinc/56/84/27/507568427.db2.gz SGBGKEQYQNGZKA-TZIWHRDSSA-N 1 0 360.473 3.352 40 0 FGABRO Cn1ccnc1-c1cc(C[C@@H]2CC[N@H+](Cc3cccc4[nH]ccc43)C2)ncn1 ZINC000585182567 507579579 /nfs/dbraw/zinc/57/95/79/507579579.db2.gz SGKKVXPGRKCSIM-INIZCTEOSA-N 1 0 372.476 3.423 40 0 FGABRO Cc1ccc(OC[C@H](O)C[NH2+]Cc2cc3ccc(C)cc3[nH]c2=O)cc1 ZINC000585285604 507584920 /nfs/dbraw/zinc/58/49/20/507584920.db2.gz QYCAFGXPLDQNMA-GOSISDBHSA-N 1 0 352.434 3.087 40 0 FGABRO CCCC(CCC)[N@@H+]1CCOC[C@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585282723 507585021 /nfs/dbraw/zinc/58/50/21/507585021.db2.gz NEMNXLXZFKPGDF-IBGZPJMESA-N 1 0 357.441 3.376 40 0 FGABRO Cc1ccccc1O[C@@H]1CCC[C@H]([N@H+](CCO)Cc2ccccc2)[C@H]1O ZINC000585289176 507586315 /nfs/dbraw/zinc/58/63/15/507586315.db2.gz FTXVNBDNLUYSFX-KSEOMHKRSA-N 1 0 355.478 3.150 40 0 FGABRO Cc1ccc(C[NH+]2CCC3(CC2)CN(C)C(=O)c2cn(C(C)C)nc23)s1 ZINC000306136965 533920782 /nfs/dbraw/zinc/92/07/82/533920782.db2.gz QHTDYUBQMAPGHK-UHFFFAOYSA-N 1 0 372.538 3.453 40 0 FGABRO COCCN1C(=O)S/C(=C/c2cc(C)n(-c3cc[nH+]cc3)c2C)C1=O ZINC000409147054 570732069 /nfs/dbraw/zinc/73/20/69/570732069.db2.gz UOGWEPHAAVKYOZ-LFIBNONCSA-N 1 0 357.435 3.172 40 0 FGABRO CN(Cc1ccccc1)[C@H]1[C@H]([NH3+])CC[C@@H](Oc2ccccc2Cl)[C@@H]1O ZINC000257269997 530001039 /nfs/dbraw/zinc/00/10/39/530001039.db2.gz MSINDXIYNLCCEB-LMCOJAPRSA-N 1 0 360.885 3.070 40 0 FGABRO C[NH+](C)CCNc1nc(Nc2c(Cl)cccc2Cl)cc(C2CC2)n1 ZINC000328990969 210128596 /nfs/dbraw/zinc/12/85/96/210128596.db2.gz IRDOUQPMMAHOHO-UHFFFAOYSA-N 1 0 366.296 3.222 40 0 FGABRO COc1ccc(-c2cnc3n2C[C@H]2C[N@@H+](Cc4cccnc4)C[C@H]2C3)cc1 ZINC000306142756 210057273 /nfs/dbraw/zinc/05/72/73/210057273.db2.gz XIJXTRFPPCNVSN-RTBURBONSA-N 1 0 360.461 3.258 40 0 FGABRO COc1cccc(-c2ccc3nc([C@H]4CCC[N@H+](C)C4)nn3c2)c1OC ZINC000306134119 210053838 /nfs/dbraw/zinc/05/38/38/210053838.db2.gz NDXBGJLOJVZUEA-HNNXBMFYSA-N 1 0 352.438 3.223 40 0 FGABRO Cc1cccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4ccccn4)C2)OC3)c1 ZINC000306127642 210052497 /nfs/dbraw/zinc/05/24/97/210052497.db2.gz GDZATIKBOSSGIA-QFIPXVFZSA-N 1 0 360.461 3.428 40 0 FGABRO CN(C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)c1ccccc1)c1ccccc1 ZINC000008635698 291068990 /nfs/dbraw/zinc/06/89/90/291068990.db2.gz GZDBUPRMPUGVRU-JAXLGGSGSA-N 1 0 363.505 3.263 40 0 biogenic,in-vitro FGABRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(NC)nc(C)n2)cc1CO ZINC000257226242 223028271 /nfs/dbraw/zinc/02/82/71/223028271.db2.gz FJUDNNDNGZFIQZ-GOSISDBHSA-N 1 0 356.470 3.055 40 0 FGABRO COCC(=O)N1CCC[C@@H](c2cc(Nc3ccc(OC)cc3)cc(C)[nH+]2)C1 ZINC000257260402 223041867 /nfs/dbraw/zinc/04/18/67/223041867.db2.gz LCSARBOCYCAMLR-MRXNPFEDSA-N 1 0 369.465 3.495 40 0 FGABRO Cc1ncccc1C(=O)N1CC[N@@H+](C)C[C@H](Cc2cncc3ccccc32)C1 ZINC000257262611 223042666 /nfs/dbraw/zinc/04/26/66/223042666.db2.gz LMCKCMTZCBBUIU-SFHVURJKSA-N 1 0 374.488 3.185 40 0 FGABRO COc1cccc(F)c1CN1CCC[C@H]1c1nc(C)ncc1C[NH+](C)C ZINC000257300154 223056820 /nfs/dbraw/zinc/05/68/20/223056820.db2.gz RTDJQJJFPYOHIP-SFHVURJKSA-N 1 0 358.461 3.331 40 0 FGABRO Cc1noc(C)c1-c1cccc(C[C@@H]2CC[N@@H+](Cc3ccn(C)n3)C2)n1 ZINC000257315572 223063365 /nfs/dbraw/zinc/06/33/65/223063365.db2.gz VBZZMGPLEMPDPM-INIZCTEOSA-N 1 0 351.454 3.152 40 0 FGABRO Cc1noc(C)c1-c1cccc(C[C@H]2CC[N@@H+](Cc3ccn(C)n3)C2)n1 ZINC000257315573 223063658 /nfs/dbraw/zinc/06/36/58/223063658.db2.gz VBZZMGPLEMPDPM-MRXNPFEDSA-N 1 0 351.454 3.152 40 0 FGABRO COc1cccc(CC[NH2+]Cc2cc3ccc(C)c(C)c3[nH]c2=O)c1OC ZINC000013998808 220101432 /nfs/dbraw/zinc/10/14/32/220101432.db2.gz ZDERSEBJDOSCIB-UHFFFAOYSA-N 1 0 366.461 3.494 40 0 FGABRO COc1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3cccc(C)c3)no2)cc1 ZINC000015674363 220159615 /nfs/dbraw/zinc/15/96/15/220159615.db2.gz BYOQOAAZWFWGFA-MJGOQNOKSA-N 1 0 365.433 3.362 40 0 biogenic,in-vitro FGABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(OC)c(O)c1)Cc1ccccn1 ZINC000022912542 211368789 /nfs/dbraw/zinc/36/87/89/211368789.db2.gz GLBSPPUFVJFSNW-LJQANCHMSA-N 1 0 355.482 3.282 40 0 FGABRO O=C(CC[NH+]1CCCC1)N1CCc2nc(-c3ccc(F)cc3)sc2C1 ZINC000019719804 211252460 /nfs/dbraw/zinc/25/24/60/211252460.db2.gz XJGSTKKEUOAFRJ-UHFFFAOYSA-N 1 0 359.470 3.320 40 0 FGABRO CC[C@H](C[NH+]1CCOCC1)n1cncc1-c1cnn(-c2ccc(C)cc2)c1 ZINC000019719540 211252012 /nfs/dbraw/zinc/25/20/12/211252012.db2.gz GMLGUEGFMKWAEA-LJQANCHMSA-N 1 0 365.481 3.328 40 0 FGABRO COc1cc(CN2CC[NH+]([C@H]3C[C@H]4CC[C@@H]3C4)CC2)cc(OC)c1OC ZINC000019789478 211256005 /nfs/dbraw/zinc/25/60/05/211256005.db2.gz LZSQOPTVZODGAM-JQHSSLGASA-N 1 0 360.498 3.019 40 0 FGABRO C[NH+](C)Cc1cc(-c2ccccc2F)nn1CCNC(=O)c1ccccc1 ZINC000019583487 211237149 /nfs/dbraw/zinc/23/71/49/211237149.db2.gz AOSKYSBNLIREBC-UHFFFAOYSA-N 1 0 366.440 3.181 40 0 FGABRO COc1cccc2c1OC[C@H](C(=O)N1CCCC[C@H]1CC[NH+]1CCCC1)C2 ZINC000019568305 211236622 /nfs/dbraw/zinc/23/66/22/211236622.db2.gz LFRNTZMIMOCPSU-MOPGFXCFSA-N 1 0 372.509 3.113 40 0 FGABRO CCN(C(=O)CCc1nc2cc(Cl)ccc2n1C)C1CC[NH+](C)CC1 ZINC000019663185 211244294 /nfs/dbraw/zinc/24/42/94/211244294.db2.gz OWGVJCLKGKJZTG-UHFFFAOYSA-N 1 0 362.905 3.102 40 0 FGABRO COc1ccc(-c2cc(C(=O)NC(C)(C)C[NH+]3CCCCC3)[nH]n2)cc1 ZINC000019660067 211243079 /nfs/dbraw/zinc/24/30/79/211243079.db2.gz AYXHDRFSVYEDAJ-UHFFFAOYSA-N 1 0 356.470 3.080 40 0 FGABRO CCOc1cc(C[N@@H+]2CCC[C@@H](c3nc(C)c(C)c(=O)[nH]3)C2)ccc1OC ZINC000019531990 211231724 /nfs/dbraw/zinc/23/17/24/211231724.db2.gz UGDLQTLXGZAOKX-QGZVFWFLSA-N 1 0 371.481 3.174 40 0 FGABRO O[C@@H]1C[C@H]2CN(Cc3ccccc3Cl)[C@@H](Cc3ccccc3)C[N@@H+]2C1 ZINC000019372793 211218101 /nfs/dbraw/zinc/21/81/01/211218101.db2.gz KKZOXUZTTJUWMY-SLFFLAALSA-N 1 0 356.897 3.202 40 0 FGABRO Cc1cc2nc([C@@H]3CCC[N@H+](Cc4cc(F)cc(F)c4)C3)cc(N)n2n1 ZINC000019129197 211204396 /nfs/dbraw/zinc/20/43/96/211204396.db2.gz SHIHVLQPMNESHV-CQSZACIVSA-N 1 0 357.408 3.278 40 0 FGABRO CC(C)C(=O)N1Cc2ccccc2OC2(CCC([NH+]3CCOCC3)CC2)C1 ZINC000019086123 211201590 /nfs/dbraw/zinc/20/15/90/211201590.db2.gz GFOXBFRNFBRAML-UHFFFAOYSA-N 1 0 372.509 3.077 40 0 FGABRO Cc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000015360754 211128878 /nfs/dbraw/zinc/12/88/78/211128878.db2.gz IHGPHORQJROUNL-UHFFFAOYSA-N 1 0 358.507 3.459 40 0 FGABRO Cc1ccc(C[N@@H+]2CCC[C@H](Cn3nnc(-c4cccnc4)n3)C2)cc1C ZINC000013227151 211028919 /nfs/dbraw/zinc/02/89/19/211028919.db2.gz ADTCGNFXGDIOKM-IBGZPJMESA-N 1 0 362.481 3.264 40 0 FGABRO CCc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(NC(C)C)[nH+]1 ZINC000328956990 132371952 /nfs/dbraw/zinc/37/19/52/132371952.db2.gz AIGJIJAFPXIXNR-UHFFFAOYSA-N 1 0 354.498 3.071 40 0 FGABRO C[C@@H](C[N@@H+]1CCc2c(nc(N3CCC(C)CC3)[nH]c2=O)C1)c1ccccc1 ZINC000072335634 136144551 /nfs/dbraw/zinc/14/45/51/136144551.db2.gz CTWLBDKYSILCDR-KRWDZBQOSA-N 1 0 366.509 3.168 40 0 FGABRO COc1ccccc1N1CC[NH+](C[C@@H](O)c2c[nH]c3ccc(C)cc32)CC1 ZINC000019220576 136152207 /nfs/dbraw/zinc/15/22/07/136152207.db2.gz XYIUZWNALNLMEH-OAQYLSRUSA-N 1 0 365.477 3.341 40 0 FGABRO Cc1ncsc1C[NH+]1CCC2(C[C@H](OCc3ccccn3)CO2)CC1 ZINC000096106916 222026896 /nfs/dbraw/zinc/02/68/96/222026896.db2.gz SSJUWPDEXGHNOK-KRWDZBQOSA-N 1 0 359.495 3.187 40 0 FGABRO COc1cccc(CN2CC[C@]3(CC[N@H+](Cc4csc(C)n4)C3)C2=O)c1 ZINC000096050661 222000827 /nfs/dbraw/zinc/00/08/27/222000827.db2.gz GIWWFECBERPMBU-FQEVSTJZSA-N 1 0 371.506 3.085 40 0 FGABRO O=S(=O)(N[C@@H]1CCC12CC[NH+](Cc1ccoc1)CC2)c1ccccc1 ZINC000096051616 222002821 /nfs/dbraw/zinc/00/28/21/222002821.db2.gz USJNCFAFKLFNSG-GOSISDBHSA-N 1 0 360.479 3.003 40 0 FGABRO COCCN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](Cc1ccco1)CC2 ZINC000096061336 222007523 /nfs/dbraw/zinc/00/75/23/222007523.db2.gz WTFDWZTXVIPGNL-FQEVSTJZSA-N 1 0 368.477 3.277 40 0 FGABRO Fc1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)cc1 ZINC000096061688 222009278 /nfs/dbraw/zinc/00/92/78/222009278.db2.gz PQUVZUVKJBEURS-YADHBBJMSA-N 1 0 354.469 3.344 40 0 FGABRO FC1(F)CC[N@H+](Cc2cccs2)C[C@@]12CCN(c1cnccn1)C2 ZINC000096239716 222095656 /nfs/dbraw/zinc/09/56/56/222095656.db2.gz YZVHGELZTMMANG-MRXNPFEDSA-N 1 0 350.438 3.276 40 0 FGABRO Fc1cccnc1N1CC[C@]2(C1)C[N@H+](Cc1cccnc1)CCC2(F)F ZINC000096239646 222095717 /nfs/dbraw/zinc/09/57/17/222095717.db2.gz VWYIPAJKEOTHIG-GOSISDBHSA-N 1 0 362.399 3.353 40 0 FGABRO Cc1nc(CN2CCO[C@H]3C[N@H+](Cc4cc(C)cc(C)c4)C[C@H]32)cs1 ZINC000096248768 222100078 /nfs/dbraw/zinc/10/00/78/222100078.db2.gz AKUHNAMDWNIVEE-UXHICEINSA-N 1 0 357.523 3.154 40 0 FGABRO CC1=N[C@@]2(CC[C@@H]3C[N@H+](Cc4ccc(F)cc4)C[C@@H]32)C(=O)N1CC(C)C ZINC000096261534 222104506 /nfs/dbraw/zinc/10/45/06/222104506.db2.gz DQZARUSHUNIJRR-SLYNCCJLSA-N 1 0 357.473 3.323 40 0 FGABRO Cc1noc(C)c1C[NH+]1CCC2(CC1)[C@@H](c1ccccc1)CC(=O)N2C ZINC000096199644 222073537 /nfs/dbraw/zinc/07/35/37/222073537.db2.gz YCDQWQSYZRLAMU-LJQANCHMSA-N 1 0 353.466 3.272 40 0 FGABRO c1ccc(CC[N@H+]2CC[C@H]3OCC[C@@]3(CCNc3ncccn3)C2)cc1 ZINC000096208197 222078841 /nfs/dbraw/zinc/07/88/41/222078841.db2.gz YHJCUXLEXKAOHX-CTNGQTDRSA-N 1 0 352.482 3.002 40 0 FGABRO Cc1cnc(N[C@@H]2CCO[C@]3(CC[N@H+](Cc4ccc(F)cc4)C3)C2)nc1 ZINC000096209364 222079536 /nfs/dbraw/zinc/07/95/36/222079536.db2.gz RZSBPWUOOOHLAW-UYAOXDASSA-N 1 0 356.445 3.160 40 0 FGABRO c1ccc(C[NH+]2CCC3(CO[C@H](COCc4cccnc4)C3)CC2)nc1 ZINC000096209573 222079834 /nfs/dbraw/zinc/07/98/34/222079834.db2.gz SXSRCJUVJQRLEH-FQEVSTJZSA-N 1 0 353.466 3.065 40 0 FGABRO O=C(Cc1cccs1)N1CC[C@]2(C1)CCC[N@H+](CC1CCOCC1)C2 ZINC000096215437 222079957 /nfs/dbraw/zinc/07/99/57/222079957.db2.gz XNLPADIMVDBNEJ-HXUWFJFHSA-N 1 0 362.539 3.032 40 0 FGABRO COc1cccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CCOCC2)C3)c1 ZINC000096215445 222080159 /nfs/dbraw/zinc/08/01/59/222080159.db2.gz BVVBCEPJWIJCKD-JOCHJYFZSA-N 1 0 372.509 3.050 40 0 FGABRO Cc1ccccc1C[NH+]1CCC2(CCOC[C@H]2NC(=O)CC2CC2)CC1 ZINC000096209842 222080488 /nfs/dbraw/zinc/08/04/88/222080488.db2.gz ZSRDMAMAFRAKTP-HXUWFJFHSA-N 1 0 356.510 3.282 40 0 FGABRO O=C(c1cscn1)N1CC[C@]2(C1)CCC[N@H+](CCOc1ccccc1)C2 ZINC000096216314 222081128 /nfs/dbraw/zinc/08/11/28/222081128.db2.gz CDPOYEQXXBJFPT-HXUWFJFHSA-N 1 0 371.506 3.150 40 0 FGABRO Cc1cc(C)cc(C[NH+]2CCC3(C[C@H](Nc4ncccn4)CO3)CC2)c1 ZINC000096221555 222085063 /nfs/dbraw/zinc/08/50/63/222085063.db2.gz PQGKYZCFMLWUOH-IBGZPJMESA-N 1 0 352.482 3.329 40 0 FGABRO Cc1ccc(C[N@@H+]2CC[C@]3(CC(C(=O)Nc4cccnc4C)=NO3)C2)s1 ZINC000096226112 222088589 /nfs/dbraw/zinc/08/85/89/222088589.db2.gz GQSATYKJMWYLGA-IBGZPJMESA-N 1 0 370.478 3.119 40 0 FGABRO C[NH2+]Cc1cc([C@H]2CC[C@H](CN(C)C(=O)[C@H]3CC=CCC3)CC2)nn1C ZINC000100687660 222248905 /nfs/dbraw/zinc/24/89/05/222248905.db2.gz GSVRWQBJGISZPS-KSZLIROESA-N 1 0 358.530 3.228 40 0 FGABRO COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](C[NH3+])CC1 ZINC000100750283 222251670 /nfs/dbraw/zinc/25/16/70/222251670.db2.gz GPPUOYCDVFMQDC-YRNRMSPPSA-N 1 0 353.466 3.326 40 0 FGABRO CC(C)CNC(=O)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020241779 263379237 /nfs/dbraw/zinc/37/92/37/263379237.db2.gz JZBZKJGCSOVHDH-UHFFFAOYSA-N 1 0 365.521 3.390 40 0 FGABRO C[N@H+]1C[C@H]2CCC[C@@H](C1)C2OC(=O)[C@@](O)(c1ccccc1)C1CCCC1 ZINC000035565143 494079491 /nfs/dbraw/zinc/07/94/91/494079491.db2.gz ROZOEEGFKDFEFP-CQRAWDCMSA-N 1 0 357.494 3.338 40 0 FGABRO CC[N@@H+]1CC[C@H](CCc2ccc(NC(=O)[C@@H]3CC(=O)N(C)C3)cc2)[C@H](C)C1 ZINC000036734976 494097481 /nfs/dbraw/zinc/09/74/81/494097481.db2.gz CXLXDKSFGIPBPR-NZSAHSFTSA-N 1 0 371.525 3.014 40 0 FGABRO C[NH+](C)[C@H](CNC(=O)C1(c2ccccc2)CCOCC1)c1ccsc1 ZINC000038673312 494116919 /nfs/dbraw/zinc/11/69/19/494116919.db2.gz SSWUHEBYZCNJPR-GOSISDBHSA-N 1 0 358.507 3.215 40 0 FGABRO COc1ccccc1CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038848831 494118877 /nfs/dbraw/zinc/11/88/77/494118877.db2.gz IOPQCAYVCUPLIS-GOSISDBHSA-N 1 0 356.441 3.363 40 0 FGABRO Cc1cc2nc([C@H]3CCC[N@H+](Cc4ccc(F)c(F)c4)C3)cc(N)n2n1 ZINC000072339783 494153511 /nfs/dbraw/zinc/15/35/11/494153511.db2.gz CGANWPPWLRNVSL-AWEZNQCLSA-N 1 0 357.408 3.278 40 0 FGABRO COc1cccc(-c2cncc(C3CC[NH+](Cc4cnn(C)c4)CC3)n2)c1 ZINC000072359724 494156732 /nfs/dbraw/zinc/15/67/32/494156732.db2.gz VGSJDTDVNZQBAW-UHFFFAOYSA-N 1 0 363.465 3.265 40 0 FGABRO Cc1cccnc1Nc1nccc([C@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)n1 ZINC000072378015 494160788 /nfs/dbraw/zinc/16/07/88/494160788.db2.gz KXONFXABXDVIHM-KRWDZBQOSA-N 1 0 363.469 3.037 40 0 FGABRO O=c1cc([C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)nc(-c2cccnc2)[nH]1 ZINC000072393049 494163063 /nfs/dbraw/zinc/16/30/63/494163063.db2.gz QLDHLSZCGKGHSP-QGZVFWFLSA-N 1 0 364.424 3.351 40 0 FGABRO COc1c(C)cnc(C[N@@H+]2CCC[C@H](n3c4ccccc4oc3=O)C2)c1C ZINC000012087600 494202766 /nfs/dbraw/zinc/20/27/66/494202766.db2.gz LHRAXZZNRASDDF-INIZCTEOSA-N 1 0 367.449 3.452 40 0 FGABRO CC[NH+]1CCN(c2ncc(-c3cc(C)no3)c(-c3ccc(C)o3)n2)CC1 ZINC000012186004 494211969 /nfs/dbraw/zinc/21/19/69/494211969.db2.gz VNESGCVFCMGCMC-UHFFFAOYSA-N 1 0 353.426 3.150 40 0 FGABRO CC[C@@H](C[NH+]1CCCCC1)NC(=O)Cc1csc(-c2cccnc2)n1 ZINC000012239751 494216815 /nfs/dbraw/zinc/21/68/15/494216815.db2.gz UNLNUGQZZZJTIM-INIZCTEOSA-N 1 0 358.511 3.128 40 0 FGABRO CCOc1ccc([C@H](O)C[NH+]2CCC(O)(c3ccccc3F)CC2)cc1 ZINC000012292367 494219309 /nfs/dbraw/zinc/21/93/09/494219309.db2.gz PBGANQKPNJZOHW-HXUWFJFHSA-N 1 0 359.441 3.241 40 0 FGABRO CCC[N@@H+]1C[C@H](NC(=O)c2ccccc2F)[C@@H](c2ccc(OC)cc2)C1 ZINC000012364761 494226480 /nfs/dbraw/zinc/22/64/80/494226480.db2.gz YEYKTJWRJKLYJR-QUCCMNQESA-N 1 0 356.441 3.442 40 0 FGABRO COC(=O)C1CCN(C(=O)c2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000044914688 494388542 /nfs/dbraw/zinc/38/85/42/494388542.db2.gz YHKUUHXRHGHFDK-UHFFFAOYSA-N 1 0 358.482 3.088 40 0 FGABRO CC[C@@H](OC[C@H](O)C[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000024302548 494620633 /nfs/dbraw/zinc/62/06/33/494620633.db2.gz NMAYQELHCDLDNH-FGZHOGPDSA-N 1 0 354.494 3.337 40 0 FGABRO COc1ccc(SCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000025739050 494774411 /nfs/dbraw/zinc/77/44/11/494774411.db2.gz APAXDDBHZJWHTR-UHFFFAOYSA-N 1 0 371.506 3.178 40 0 FGABRO COc1ccc(C[NH+]2CCC3(C[C@@H](CC(=O)N4CCCC4)CO3)CC2)cc1 ZINC000096048177 494999422 /nfs/dbraw/zinc/99/94/22/494999422.db2.gz FBXOGMWKFXCVMG-LJQANCHMSA-N 1 0 372.509 3.079 40 0 FGABRO COc1ncccc1C[NH+]1CCC2(CC1)OCC[C@H]2CCOCC1CC1 ZINC000247846857 496920613 /nfs/dbraw/zinc/92/06/13/496920613.db2.gz MZPDMDGXBOCPIP-LJQANCHMSA-N 1 0 360.498 3.278 40 0 FGABRO Cc1cccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COc3cccnc3)C2)n1 ZINC000247859706 496922527 /nfs/dbraw/zinc/92/25/27/496922527.db2.gz FHIQVXLXVBPPRB-RTWAWAEBSA-N 1 0 353.466 3.235 40 0 FGABRO C[NH+](C)C[C@@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)Cc2cncn21 ZINC000248120877 496956451 /nfs/dbraw/zinc/95/64/51/496956451.db2.gz NAEJXMMVDFNIBM-OAHLLOKOSA-N 1 0 358.829 3.041 40 0 FGABRO CCOC[C@]1(C[NH3+])[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218461151 497002402 /nfs/dbraw/zinc/00/24/02/497002402.db2.gz GENZUWQEDZYTAD-QHAWAJNXSA-N 1 0 373.518 3.225 40 0 FGABRO CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C[NH3+])COC)cc1 ZINC000218519679 497003150 /nfs/dbraw/zinc/00/31/50/497003150.db2.gz LIOYCOABXWMXEA-ACRUOGEOSA-N 1 0 373.518 3.089 40 0 FGABRO CC(C)n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCC[NH+](C)C ZINC000223234489 497033111 /nfs/dbraw/zinc/03/31/11/497033111.db2.gz IZZIBUNKRBGPFU-MOPGFXCFSA-N 1 0 371.554 3.388 40 0 FGABRO O=C(NCCOc1ccc(F)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000224551994 497050083 /nfs/dbraw/zinc/05/00/83/497050083.db2.gz XDJROOHMBBUTOZ-UHFFFAOYSA-N 1 0 374.431 3.372 40 0 FGABRO O=C(NCc1cccnc1)C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000225577578 497066952 /nfs/dbraw/zinc/06/69/52/497066952.db2.gz IICVAWHKKXEZCA-UHFFFAOYSA-N 1 0 361.848 3.403 40 0 FGABRO O=C(Cc1cccc(Br)c1)NCCC[NH+]1CCCCCC1 ZINC000225616838 497069611 /nfs/dbraw/zinc/06/96/11/497069611.db2.gz YRXVNFLUHXYOJX-UHFFFAOYSA-N 1 0 353.304 3.374 40 0 FGABRO Cc1cccc(NC(=S)NCc2ccc(OC3CC[NH+](C)CC3)cc2)n1 ZINC000225773849 497075229 /nfs/dbraw/zinc/07/52/29/497075229.db2.gz XUWBLHKDCNHEHL-UHFFFAOYSA-N 1 0 370.522 3.350 40 0 FGABRO CCn1ncc(NC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)c1C(F)(F)F ZINC000333342766 498986422 /nfs/dbraw/zinc/98/64/22/498986422.db2.gz PYIIUAVFNPVIBF-GXTWGEPZSA-N 1 0 373.423 3.308 40 0 FGABRO COc1ccc(C[NH+]2CC3(C2)C[C@H](OCC2CCOCC2)CS3)cc1 ZINC000585103926 507570565 /nfs/dbraw/zinc/57/05/65/507570565.db2.gz DWHKGEPNVUBQPY-IBGZPJMESA-N 1 0 363.523 3.198 40 0 FGABRO CCn1cc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOc2cccnc2)cn1 ZINC000585103663 507570918 /nfs/dbraw/zinc/57/09/18/507570918.db2.gz CLVBYBOEHFDWNX-IBGZPJMESA-N 1 0 370.497 3.138 40 0 FGABRO Cc1ccccc1O[C@@H]1CCC[C@H]([NH2+]CCN(C)c2ccccc2)[C@H]1O ZINC000585289653 507586198 /nfs/dbraw/zinc/58/61/98/507586198.db2.gz UCNMYTJKMYNOLD-KSEOMHKRSA-N 1 0 354.494 3.382 40 0 FGABRO FC(F)(F)c1nc(-c2cncc([C@H]3CCC[N@H+](CC4CC4)C3)n2)no1 ZINC000585290692 507586735 /nfs/dbraw/zinc/58/67/35/507586735.db2.gz TYEVMGAMGPZOHU-NSHDSACASA-N 1 0 353.348 3.135 40 0 FGABRO Cc1cc(C)c2[nH]c(=O)c(C[NH2+]C[C@@H](O)COCc3ccccc3)cc2c1 ZINC000585294757 507587904 /nfs/dbraw/zinc/58/79/04/507587904.db2.gz JGMYDNHQMMRVKV-HXUWFJFHSA-N 1 0 366.461 3.225 40 0 FGABRO C[C@]12C[C@@H]3[NH2+][C@H]1CCC[C@H]2N(C(=O)c1ccccn1)[C@H]3Cc1ccccc1 ZINC000257203456 534189518 /nfs/dbraw/zinc/18/95/18/534189518.db2.gz AQDDHYHOYZTPFU-XANJAXJYSA-N 1 0 361.489 3.438 40 0 FGABRO c1cc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4ccccn4)C2)OC3)cs1 ZINC000306137388 534464199 /nfs/dbraw/zinc/46/41/99/534464199.db2.gz QVCKFRSDXLSZQR-IBGZPJMESA-N 1 0 352.463 3.182 40 0 FGABRO O=C(Nc1nccs1)c1cccc([C@H]2CCC[N@@H+]2CC2CCOCC2)n1 ZINC000257224073 534476553 /nfs/dbraw/zinc/47/65/53/534476553.db2.gz FAFBHTKRGLDNCG-QGZVFWFLSA-N 1 0 372.494 3.354 40 0 FGABRO Cc1cccc(C(=O)N2CC[N@@H+](C)C[C@H](Cc3ccc4ncccc4c3)C2)n1 ZINC000257249853 534594404 /nfs/dbraw/zinc/59/44/04/534594404.db2.gz JJZYCXADESXXDG-IBGZPJMESA-N 1 0 374.488 3.185 40 0 FGABRO COc1cc(C=O)ccc1OCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000217798173 522313457 /nfs/dbraw/zinc/31/34/57/522313457.db2.gz FIIJVXZFWWSJEF-UHFFFAOYSA-N 1 0 368.477 3.489 40 0 FGABRO CC(=O)Nc1nc(C)c(-c2cnc(C[C@@H]3CC[N@@H+](C(C)C)C3)cn2)s1 ZINC000257320525 527100747 /nfs/dbraw/zinc/10/07/47/527100747.db2.gz VXEYWNBWESFIQI-AWEZNQCLSA-N 1 0 359.499 3.140 40 0 FGABRO CCCCc1nc(CN2CCC[C@@H]2c2nc(C)ncc2C[NH+](C)C)c[nH]1 ZINC000257287166 529039581 /nfs/dbraw/zinc/03/95/81/529039581.db2.gz POUDSDXZAKULEA-GOSISDBHSA-N 1 0 356.518 3.249 40 0 FGABRO COC(=O)c1ccc2c(c1)[nH]c1ncnc(NCCC[NH+]3CCCCC3)c21 ZINC000205794939 222625621 /nfs/dbraw/zinc/62/56/21/222625621.db2.gz SIBCJMZHJZDUNK-UHFFFAOYSA-N 1 0 367.453 3.186 40 0 in-vitro FGABRO CNC(=O)c1sc2nccnc2c1[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000257213357 529954618 /nfs/dbraw/zinc/95/46/18/529954618.db2.gz CHFAJTYSQBCXJQ-ZDUSSCGKSA-N 1 0 370.453 3.180 40 0 FGABRO CCCNC(=O)OC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2c1cc(C2CCCC2)nn1C ZINC000008635314 291068422 /nfs/dbraw/zinc/06/84/22/291068422.db2.gz FJNMEXPUMAIGGH-KSZLIROESA-N 1 0 374.529 3.392 40 0 biogenic,in-vitro FGABRO COCC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)[N@@H+]2C ZINC000257332532 223069060 /nfs/dbraw/zinc/06/90/60/223069060.db2.gz XXRXYFQTJGVQCB-QWPXSNKBSA-N 1 0 356.510 3.108 40 0 FGABRO c1coc(C[N@@H+]2CCC[C@H](c3nc4ccc(N5CCCC5)cn4n3)C2)c1 ZINC000306128898 223108706 /nfs/dbraw/zinc/10/87/06/223108706.db2.gz HNWSOQOBUNAJEE-INIZCTEOSA-N 1 0 351.454 3.302 40 0 FGABRO c1ccc(C[N@@H+]2CC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)nc1 ZINC000306133189 223109819 /nfs/dbraw/zinc/10/98/19/223109819.db2.gz MEPIFNKOSHINJH-GOSISDBHSA-N 1 0 356.433 3.176 40 0 FGABRO Cc1c(-c2ccccn2)c(C(=O)NCC2CC2)c2n1CCN(CC1CC1)C2 ZINC000306137737 223110957 /nfs/dbraw/zinc/11/09/57/223110957.db2.gz REOWURAKGUUZNJ-UHFFFAOYSA-N 1 0 364.493 3.224 40 0 FGABRO C[NH+](C)CCNc1nc(Nc2cc(Cl)cc(Cl)c2)cc(C2CC2)n1 ZINC000329023054 223129598 /nfs/dbraw/zinc/12/95/98/223129598.db2.gz ORKPARRKEJXVJY-UHFFFAOYSA-N 1 0 366.296 3.222 40 0 FGABRO CC(=O)N1Cc2ccccc2O[C@H]([C@H]2CCC[N@H+](Cc3ccccn3)C2)C1 ZINC000019019668 220233458 /nfs/dbraw/zinc/23/34/58/220233458.db2.gz DAYGVGPYVOLATK-AVRDEDQJSA-N 1 0 365.477 3.103 40 0 FGABRO Cc1ccc(CC(=O)N2CCCC[C@H]2c2ncc3c(n2)CC[N@@H+](C)C3)cc1 ZINC000019209768 220238637 /nfs/dbraw/zinc/23/86/37/220238637.db2.gz LOAVMWWRQVILCB-FQEVSTJZSA-N 1 0 364.493 3.069 40 0 FGABRO Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(Cn2ccc4ccncc42)C3)o1 ZINC000019216546 220241878 /nfs/dbraw/zinc/24/18/78/220241878.db2.gz IFCMGXMOBGQBHP-HTZLVSCSSA-N 1 0 351.450 3.496 40 0 FGABRO Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000019290160 220245772 /nfs/dbraw/zinc/24/57/72/220245772.db2.gz KINPUSIBTDTGEC-KRWDZBQOSA-N 1 0 366.513 3.067 40 0 FGABRO O=c1cc([C@@H]2CC[N@@H+](Cc3cccc(F)c3F)C2)nc(-c2ccncc2)[nH]1 ZINC000019292692 220245987 /nfs/dbraw/zinc/24/59/87/220245987.db2.gz PWBMGKUSZRZHMK-CQSZACIVSA-N 1 0 368.387 3.100 40 0 FGABRO C[C@@H](c1ccccc1)[NH+]1CCN(Cc2ccnc(-c3cccnc3)n2)CC1 ZINC000019459459 220260965 /nfs/dbraw/zinc/26/09/65/220260965.db2.gz YCULDMXWQHJIAG-SFHVURJKSA-N 1 0 359.477 3.417 40 0 FGABRO C[C@H](Cn1cc(Cl)cn1)C(=O)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000019457336 220257093 /nfs/dbraw/zinc/25/70/93/220257093.db2.gz YTWXHFUONUQYLR-NVXWUHKLSA-N 1 0 352.910 3.040 40 0 FGABRO CCC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@H+](Cc3ccccn3)CC[C@H]21 ZINC000019499204 220262568 /nfs/dbraw/zinc/26/25/68/220262568.db2.gz LIRMKHKGGTUWGX-NJDAHSKKSA-N 1 0 367.468 3.447 40 0 FGABRO CCCc1ccc(C[N@@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)s1 ZINC000019525491 220265717 /nfs/dbraw/zinc/26/57/17/220265717.db2.gz CVLLCRGFFGJXOT-UHFFFAOYSA-N 1 0 366.490 3.404 40 0 FGABRO CC[NH+]1CCN([C@@H](c2nnnn2C2CCCC2)c2ccc(Cl)cc2)CC1 ZINC000019527997 220269061 /nfs/dbraw/zinc/26/90/61/220269061.db2.gz MOKSHGPVIPXWFM-GOSISDBHSA-N 1 0 374.920 3.169 40 0 FGABRO CC[NH+]1CCN([C@H](c2nnnn2C2CCCCC2)c2ccc(F)cc2)CC1 ZINC000019528004 220269404 /nfs/dbraw/zinc/26/94/04/220269404.db2.gz YZEVFYRIRKYRDZ-IBGZPJMESA-N 1 0 372.492 3.044 40 0 FGABRO Cc1nn(C[C@@H](C)C(=O)N2CCCC[C@H]2CC[NH+]2CCCC2)c(C)c1C ZINC000019556827 220271470 /nfs/dbraw/zinc/27/14/70/220271470.db2.gz JYCSUODBPKWDQD-UZLBHIALSA-N 1 0 360.546 3.311 40 0 FGABRO CN(C(=O)c1ccncc1)C1CCC2(CC1)C[NH2+]Cc1ccccc1O2 ZINC000019586672 220278198 /nfs/dbraw/zinc/27/81/98/220278198.db2.gz FGBAIYHKMKQJPN-UHFFFAOYSA-N 1 0 351.450 3.017 40 0 FGABRO CSc1ccccc1Nc1cc(C2CC2)nc(NCCC[NH+](C)C)n1 ZINC000328967233 533044460 /nfs/dbraw/zinc/04/44/60/533044460.db2.gz CRQAFXMEWNIXBP-UHFFFAOYSA-N 1 0 357.527 3.027 40 0 FGABRO CNc1cc([C@H]2CCCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)ccn1 ZINC000257225064 533055190 /nfs/dbraw/zinc/05/51/90/533055190.db2.gz FERHUDWIFPXEMW-IBGZPJMESA-N 1 0 352.482 3.205 40 0 FGABRO CC(C)[C@@H](CNC(=O)c1ccc2c(c1)nnn2C1CCCCC1)[NH+](C)C ZINC000019659414 220283540 /nfs/dbraw/zinc/28/35/40/220283540.db2.gz GEODJRVYPMNSET-LJQANCHMSA-N 1 0 357.502 3.253 40 0 FGABRO COc1ccc(C(=O)N2CCC[C@@H]2c2ccc(C[NH+](C)C)cn2)cc1F ZINC000257226908 533298155 /nfs/dbraw/zinc/29/81/55/533298155.db2.gz FMRYZVSENJEMNS-GOSISDBHSA-N 1 0 357.429 3.268 40 0 FGABRO COc1cccc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3[NH2+]CCCC[C@@H]32)c1 ZINC000257224273 533403941 /nfs/dbraw/zinc/40/39/41/533403941.db2.gz FBBLPWKTMRBMIS-ACRUOGEOSA-N 1 0 350.462 3.446 40 0 FGABRO CCc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)nc(N[C@@H](C)CC)[nH+]1 ZINC000328986981 132372374 /nfs/dbraw/zinc/37/23/74/132372374.db2.gz HZPQXIIMZOSBFM-LSDHHAIUSA-N 1 0 354.498 3.287 40 0 FGABRO Clc1ccc(-c2cnc3n2C[C@H](C[NH2+]Cc2cccnc2)OC3)cc1 ZINC000096112929 222030915 /nfs/dbraw/zinc/03/09/15/222030915.db2.gz WZQRNBASCBVSEF-KRWDZBQOSA-N 1 0 354.841 3.287 40 0 biogenic,in-vitro FGABRO CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccoc3)CC2)Oc2ccccc21 ZINC000096053245 222002857 /nfs/dbraw/zinc/00/28/57/222002857.db2.gz QIICLJHSQKAHOP-QGZVFWFLSA-N 1 0 354.450 3.317 40 0 FGABRO CN(C)C(=O)[C@@H]1OC2(CC[NH+](Cc3ccsc3)CC2)c2ccccc21 ZINC000096058370 222007721 /nfs/dbraw/zinc/00/77/21/222007721.db2.gz RKNNJAQLWQRLNN-GOSISDBHSA-N 1 0 356.491 3.399 40 0 FGABRO c1nc2c(n1CC1CC1)[C@@H](COCC1CCOCC1)C[N@H+](CC1CC1)C2 ZINC000096068676 222010426 /nfs/dbraw/zinc/01/04/26/222010426.db2.gz QDJTZBDSTWCNFR-LJQANCHMSA-N 1 0 359.514 3.046 40 0 FGABRO Cn1cc(C[NH2+]C2CCC3(CCC(=O)N3Cc3ccccc3)CC2)cn1 ZINC000096075883 222013956 /nfs/dbraw/zinc/01/39/56/222013956.db2.gz ATBXHHGKFHRJSM-UHFFFAOYSA-N 1 0 352.482 3.014 40 0 FGABRO C[NH+](C)CCNC(=O)c1cc(-c2ccn(-c3ccccc3)n2)n2ccccc12 ZINC000096154751 222057172 /nfs/dbraw/zinc/05/71/72/222057172.db2.gz HQVJCZGCPXUFOR-UHFFFAOYSA-N 1 0 373.460 3.083 40 0 FGABRO Cc1cccc(C[N@@H+]2CCC[C@]3(C[C@H](OCc4ccncc4)CO3)C2)n1 ZINC000096208561 222078486 /nfs/dbraw/zinc/07/84/86/222078486.db2.gz QRJFOLGNGCOQNA-SFTDATJTSA-N 1 0 353.466 3.125 40 0 FGABRO Cc1ncccc1NC(=O)[C@H]1C[C@@H]2CC[N@H+](Cc3ccsc3)C[C@H]2O1 ZINC000097953810 222218165 /nfs/dbraw/zinc/21/81/65/222218165.db2.gz VQRQWNZHGPZLIC-CGTJXYLNSA-N 1 0 357.479 3.070 40 0 FGABRO Cc1ccc(C[N@H+]2CCC[C@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)s1 ZINC000107228839 222392623 /nfs/dbraw/zinc/39/26/23/222392623.db2.gz USTHHVVYJDPNIW-APWZRJJASA-N 1 0 358.511 3.106 40 0 FGABRO CCOc1cc(C[NH2+]Cc2ccc(C)cc2)cc(Cl)c1OCC(N)=O ZINC000007537942 263351724 /nfs/dbraw/zinc/35/17/24/263351724.db2.gz TVUAQBRNRZGBAD-UHFFFAOYSA-N 1 0 362.857 3.201 40 0 FGABRO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1ccccc1Cl ZINC000010544236 263366262 /nfs/dbraw/zinc/36/62/62/263366262.db2.gz PUSGNZCDJAHWOM-MRXNPFEDSA-N 1 0 358.935 3.414 40 0 FGABRO COc1ccc(S[C@@H](C)C(=O)NCCC[NH+]2CCCCC2)cc1OC ZINC000020458935 263381633 /nfs/dbraw/zinc/38/16/33/263381633.db2.gz ITULBCUDOYOJLM-HNNXBMFYSA-N 1 0 366.527 3.177 40 0 FGABRO COc1ccc2[nH]c([C@H]3CC[N@H+](Cc4ccc5c(c4)OCO5)C3)nc2c1 ZINC000035446777 494077811 /nfs/dbraw/zinc/07/78/11/494077811.db2.gz YXFJSQFHWDDYCH-AWEZNQCLSA-N 1 0 351.406 3.290 40 0 biogenic,in-vitro FGABRO CCCC[C@@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(OC)c1 ZINC000072341106 494154815 /nfs/dbraw/zinc/15/48/15/494154815.db2.gz ZKOOZQHMIWXUNW-MMOPVJDHSA-N 1 0 359.466 3.351 40 0 FGABRO COc1cccc(C[N@@H+]2CCC[C@@H](c3cc(C(=O)NC(C)C)on3)C2)c1 ZINC000072352764 494156035 /nfs/dbraw/zinc/15/60/35/494156035.db2.gz JPYSKCHWARBEBK-MRXNPFEDSA-N 1 0 357.454 3.201 40 0 FGABRO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1cccc(Cl)c1 ZINC000010544239 494156827 /nfs/dbraw/zinc/15/68/27/494156827.db2.gz IPSCAOJXRDDLQJ-KRWDZBQOSA-N 1 0 358.935 3.414 40 0 FGABRO O=C(C[N@H+]1CCC[C@H](c2nccnc2-c2ccccc2F)C1)N1CCCC1 ZINC000072358548 494156943 /nfs/dbraw/zinc/15/69/43/494156943.db2.gz MKWFUJDVGPWFKI-INIZCTEOSA-N 1 0 368.456 3.085 40 0 FGABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@H](c2nnc(-c3ccc(C)s3)o2)C1 ZINC000072390097 494162413 /nfs/dbraw/zinc/16/24/13/494162413.db2.gz HZGJQNHVSRUWJH-AWEZNQCLSA-N 1 0 362.499 3.154 40 0 FGABRO CC[NH+]1CCN(c2ncc(-c3cc(C)no3)c(-c3cccs3)n2)CC1 ZINC000012154315 494209580 /nfs/dbraw/zinc/20/95/80/494209580.db2.gz CSMSDKWCAXFLRP-UHFFFAOYSA-N 1 0 355.467 3.310 40 0 FGABRO COC[C@H](C)[NH2+]Cc1cc2c(C(C)(C)C)nn(-c3ccccc3)c2[nH]c1=O ZINC000012186380 494211176 /nfs/dbraw/zinc/21/11/76/494211176.db2.gz LPYMURKDLVPLEE-AWEZNQCLSA-N 1 0 368.481 3.136 40 0 FGABRO CCCc1ncc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2OC)C3)cn1 ZINC000012242182 494217162 /nfs/dbraw/zinc/21/71/62/494217162.db2.gz WDENSSHPAQUBAC-VSOVRNOCSA-N 1 0 367.493 3.452 40 0 FGABRO O[C@@H](C[N@H+]1CC=C(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000012291701 494218943 /nfs/dbraw/zinc/21/89/43/494218943.db2.gz SVQYGEIDOOWBBN-IBGZPJMESA-N 1 0 355.409 3.420 40 0 FGABRO O[C@H](C[NH+]1CCC2(CC1)C[C@H](O)c1cc(F)ccc1O2)c1ccccc1 ZINC000012329272 494225439 /nfs/dbraw/zinc/22/54/39/494225439.db2.gz XFDAIEMYKLXDJO-RBUKOAKNSA-N 1 0 357.425 3.210 40 0 FGABRO Cc1nc(C2CC[NH+](C(C)C)CC2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019766583 494459528 /nfs/dbraw/zinc/45/95/28/494459528.db2.gz DDLLPUYNIQAYEE-UHFFFAOYSA-N 1 0 370.472 3.442 40 0 FGABRO COc1ccc(C[N@@H+]2CCC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)cc1 ZINC000107730593 494591558 /nfs/dbraw/zinc/59/15/58/494591558.db2.gz NVMMFSJYEGPZKD-NHCUHLMSSA-N 1 0 354.450 3.293 40 0 FGABRO Cc1ccc(F)c(C[N@@H+]2CCC3(CC(NC(=O)c4ccncc4)C3)C2)c1 ZINC000108526825 494729271 /nfs/dbraw/zinc/72/92/71/494729271.db2.gz UYZIDYRUIKVRMT-UHFFFAOYSA-N 1 0 353.441 3.314 40 0 FGABRO Cc1ccccc1C[N@@H+]1CC[C@H]2C[C@@H](C(=O)Nc3cccnc3)O[C@@H]2C1 ZINC000096043069 494998878 /nfs/dbraw/zinc/99/88/78/494998878.db2.gz WYJXDRQOHOWFQC-FFZOFVMBSA-N 1 0 351.450 3.008 40 0 FGABRO O=S(=O)(Cc1ccccc1F)NCc1ccccc1C[NH+]1CCCC1 ZINC000170657224 495548876 /nfs/dbraw/zinc/54/88/76/495548876.db2.gz PECOHZHXGOMIDI-UHFFFAOYSA-N 1 0 362.470 3.041 40 0 FGABRO COC[C@H]1CN(C(=O)c2ccco2)CC12CC[NH+](Cc1ccsc1)CC2 ZINC000247817673 496918692 /nfs/dbraw/zinc/91/86/92/496918692.db2.gz CBBXAILFQKMCBY-QGZVFWFLSA-N 1 0 374.506 3.342 40 0 FGABRO COC[C@H]1CN(C(C)=O)CC12CC[NH+](Cc1ccccc1Cl)CC2 ZINC000247929398 496929344 /nfs/dbraw/zinc/92/93/44/496929344.db2.gz JHRSSAPXQWNSQC-QGZVFWFLSA-N 1 0 350.890 3.047 40 0 FGABRO CC(=O)N1C[C@@H](COCC2CC2)C2(C1)CC[NH+](Cc1ccccc1C)CC2 ZINC000248157801 496965585 /nfs/dbraw/zinc/96/55/85/496965585.db2.gz MTTPUGMRTRPSSS-QFIPXVFZSA-N 1 0 370.537 3.482 40 0 FGABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C(C)(C)C)c1 ZINC000223262559 497033983 /nfs/dbraw/zinc/03/39/83/497033983.db2.gz XJTSCTYIYWHIQW-ZWKOTPCHSA-N 1 0 371.554 3.172 40 0 FGABRO CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(C[NH3+])COC)cc1 ZINC000242548298 497354795 /nfs/dbraw/zinc/35/47/95/497354795.db2.gz LIOYCOABXWMXEA-NJDAHSKKSA-N 1 0 373.518 3.089 40 0 FGABRO C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cc(-c3ccc(F)cc3)n[nH]1)C2 ZINC000257235059 497393245 /nfs/dbraw/zinc/39/32/45/497393245.db2.gz GWGBAFLZTYPUEZ-RMYQPGKMSA-N 1 0 368.456 3.303 40 0 FGABRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1[C@@H]2CCCC[C@H]2[C@@H]1c1ccccc1 ZINC000257367372 497405969 /nfs/dbraw/zinc/40/59/69/497405969.db2.gz AEXHWJTVSJBTBQ-JFHUYLGKSA-N 1 0 356.510 3.043 40 0 FGABRO CC[NH+](CC)CCCN(Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000575422855 505975452 /nfs/dbraw/zinc/97/54/52/505975452.db2.gz WVYSWGLYGSLZHY-QGZVFWFLSA-N 1 0 372.962 3.061 40 0 FGABRO C[N@@H+](Cc1cccnc1)C[C@H]1CCC2(CN(Cc3ccsc3)C2)OC1 ZINC000585103243 507567425 /nfs/dbraw/zinc/56/74/25/507567425.db2.gz AJWQFMKKRHWCKN-GOSISDBHSA-N 1 0 357.523 3.256 40 0 FGABRO CC(=O)N1C[C@H](COCC2CC2)C2(C1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC000585103195 507568074 /nfs/dbraw/zinc/56/80/74/507568074.db2.gz MQRFQEVDHAEMPJ-JOCHJYFZSA-N 1 0 370.537 3.482 40 0 FGABRO COC[C@H]1C[N@H+](Cc2cccs2)CC12CCN(C(=O)CC1CC1)CC2 ZINC000585104122 507570838 /nfs/dbraw/zinc/57/08/38/507570838.db2.gz WQNWJSQGTKVYAI-QGZVFWFLSA-N 1 0 362.539 3.235 40 0 FGABRO Cc1cncc(C(=O)N2CC[N@@H+](C)C[C@H](Cc3ccc4ncccc4c3)C2)c1 ZINC000585261162 507579784 /nfs/dbraw/zinc/57/97/84/507579784.db2.gz VZMYIMDXXCODRY-IBGZPJMESA-N 1 0 374.488 3.185 40 0 FGABRO CC(=O)N1CCC[C@H]([NH2+]CCCn2ccnc2)[C@@H]1Cc1cccc(Cl)c1 ZINC000585285399 507584341 /nfs/dbraw/zinc/58/43/41/507584341.db2.gz JLJPUYICNJJVLD-PMACEKPBSA-N 1 0 374.916 3.138 40 0 FGABRO CC1(C)CCC([N@@H+]2CCOC[C@@](O)(COc3ccc(F)cc3)C2)CC1 ZINC000585282690 507585053 /nfs/dbraw/zinc/58/50/53/507585053.db2.gz MTNMVIQBOJEOEO-HXUWFJFHSA-N 1 0 351.462 3.237 40 0 FGABRO OC[C@@H]1[C@H](O)[C@@H](c2ccc(Cl)cc2)C[N@@H+]1Cc1ccccc1Cl ZINC000585292822 507586575 /nfs/dbraw/zinc/58/65/75/507586575.db2.gz OQHWFOOQCBCBQC-KBAYOESNSA-N 1 0 352.261 3.315 40 0 FGABRO Cc1ccc(C)c2[nH]c(=O)c(C[NH2+]C[C@H](O)COCc3ccccc3)cc12 ZINC000585293451 507586721 /nfs/dbraw/zinc/58/67/21/507586721.db2.gz XEASAIAWLXPBHI-IBGZPJMESA-N 1 0 366.461 3.225 40 0 FGABRO COc1cc(CN2CCC[C@@H]2c2nc(C)ncc2C[NH+](C)C)ccc1F ZINC000257241812 533802081 /nfs/dbraw/zinc/80/20/81/533802081.db2.gz HZSFPPZGVUKXAQ-GOSISDBHSA-N 1 0 358.461 3.331 40 0 FGABRO Cc1c(C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)cnn1C ZINC000257318274 533846867 /nfs/dbraw/zinc/84/68/67/533846867.db2.gz VNFIBHCWXGZHPT-SFTDATJTSA-N 1 0 355.482 3.069 40 0 FGABRO c1cc2nccc(C3CC[NH+](Cc4c[nH]nc4-c4ccccc4)CC3)n2n1 ZINC000257342828 534479719 /nfs/dbraw/zinc/47/97/19/534479719.db2.gz ZQHZNAAJLUTRGL-UHFFFAOYSA-N 1 0 358.449 3.499 40 0 FGABRO Fc1cccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4ccccn4)C2)OC3)c1 ZINC000306141681 534514071 /nfs/dbraw/zinc/51/40/71/534514071.db2.gz WDQZRJQZDBGDHP-OAQYLSRUSA-N 1 0 364.424 3.259 40 0 FGABRO c1csc(Nc2cc(C[C@@H]3CCC[N@@H+](CC4CCOCC4)C3)ncn2)n1 ZINC000257343214 534525075 /nfs/dbraw/zinc/52/50/75/534525075.db2.gz ZRXVJYIYRRPIEH-INIZCTEOSA-N 1 0 373.526 3.358 40 0 FGABRO Cc1cccc(C(=O)N2CC[N@@H+](C)C[C@@H](Cc3cnc4ccccc4c3)C2)n1 ZINC000257239957 534593028 /nfs/dbraw/zinc/59/30/28/534593028.db2.gz HROMWUQDXKHXCD-LJQANCHMSA-N 1 0 374.488 3.185 40 0 FGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CCc1ccc(OC)c(OC)c1 ZINC000020111405 523018839 /nfs/dbraw/zinc/01/88/39/523018839.db2.gz CHBZRFNITJIIGT-SFHVURJKSA-N 1 0 362.514 3.407 40 0 FGABRO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2N1Cc1cccnc1 ZINC000306127805 534853961 /nfs/dbraw/zinc/85/39/61/534853961.db2.gz GICBLRYLTASSDI-MOPGFXCFSA-N 1 0 364.474 3.026 40 0 FGABRO CC[NH+](CC)CC[C@H]1CN(C(=O)/C=C/c2cccs2)Cc2cncn21 ZINC000306142524 528167387 /nfs/dbraw/zinc/16/73/87/528167387.db2.gz XBUYXBGKSYXXKA-WAVCKPEOSA-N 1 0 358.511 3.273 40 0 FGABRO C[C@@]1(O)CC[N@H+](CC2CC2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 ZINC000514289954 560030990 /nfs/dbraw/zinc/03/09/90/560030990.db2.gz QBUAPJLGNFOOLO-IRFCIJBXSA-N 1 0 370.518 3.455 40 0 biogenic,in-vitro FGABRO C[N@@H+]1CC[C@@H](COCC2CC2)CC12CN(C(=O)c1c[nH]c3ccccc13)C2 ZINC000306124149 529794276 /nfs/dbraw/zinc/79/42/76/529794276.db2.gz BHSCCVWWAGBAQM-QGZVFWFLSA-N 1 0 367.493 3.131 40 0 FGABRO C[C@]12CCCN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)[C@H]1CCCC[NH2+]2 ZINC000257226002 223027917 /nfs/dbraw/zinc/02/79/17/223027917.db2.gz FITBFZFRAOOFIH-ICSRJNTNSA-N 1 0 356.445 3.353 40 0 FGABRO Cc1ncc(-c2nccnc2CC2CC[NH+](Cc3cncs3)CC2)n1C ZINC000257247234 223036338 /nfs/dbraw/zinc/03/63/38/223036338.db2.gz IYCHYQARLQJQFM-UHFFFAOYSA-N 1 0 368.510 3.097 40 0 FGABRO Cc1nc(Nc2cnccn2)cc([C@@H]2CCCC[N@@H+]2CC2CCOCC2)n1 ZINC000257277393 223048099 /nfs/dbraw/zinc/04/80/99/223048099.db2.gz NXUHJOPBLDAGCK-SFHVURJKSA-N 1 0 368.485 3.272 40 0 FGABRO Cc1c[nH]c(-c2nccnc2C[C@H]2CCC[N@H+](Cc3cncs3)C2)n1 ZINC000257336617 223071181 /nfs/dbraw/zinc/07/11/81/223071181.db2.gz YPFRSBKNIQWTGE-CQSZACIVSA-N 1 0 354.483 3.086 40 0 FGABRO COC(C)(C)C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3[NH2+][C@@H]2Cc1ccccc1 ZINC000257340473 223072317 /nfs/dbraw/zinc/07/23/17/223072317.db2.gz ZGHOGWYARSZOFV-GOYZHWMFSA-N 1 0 356.510 3.154 40 0 FGABRO C[NH+](C)CCNc1nc(Nc2cc(Cl)ccc2Cl)cc(C2CC2)n1 ZINC000328991033 223128607 /nfs/dbraw/zinc/12/86/07/223128607.db2.gz IRTVGBMYVNTURC-UHFFFAOYSA-N 1 0 366.296 3.222 40 0 FGABRO Cc1ccc(C)c(S(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000015336082 220152784 /nfs/dbraw/zinc/15/27/84/220152784.db2.gz BKUVCKKGMRXRIS-UHFFFAOYSA-N 1 0 358.507 3.378 40 0 FGABRO C/C(=C\c1ccccc1)C[N@H+]1C[C@H]2CCC[C@@H](C1)C2(O)c1nccn1C ZINC000019014340 220234191 /nfs/dbraw/zinc/23/41/91/220234191.db2.gz GQTGZTHFHJFNDW-YZYWCLJBSA-N 1 0 351.494 3.443 40 0 FGABRO CSc1ncc(CN2CC[NH+](CC3(c4ccc(C)cc4)CC3)CC2)cn1 ZINC000019208439 220239377 /nfs/dbraw/zinc/23/93/77/220239377.db2.gz ZSWLAOBVMJXFPQ-UHFFFAOYSA-N 1 0 368.550 3.356 40 0 FGABRO Cc1ccc(O[C@@H](C)C(=O)N(C[C@H]2CCCO2)C2CC[NH+](C)CC2)cc1C ZINC000019214103 220239595 /nfs/dbraw/zinc/23/95/95/220239595.db2.gz BEHWTJNHLGZWKZ-GHTZIAJQSA-N 1 0 374.525 3.173 40 0 FGABRO Cn1nc(-c2ccc(CNC(=O)Cc3ccccc3)cc2)cc1C[NH+](C)C ZINC000019288876 220246068 /nfs/dbraw/zinc/24/60/68/220246068.db2.gz FAVOJNLOXSOOMT-UHFFFAOYSA-N 1 0 362.477 3.008 40 0 FGABRO O=C(c1cc2c(s1)CCCC2)N1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1 ZINC000019292482 220247299 /nfs/dbraw/zinc/24/72/99/220247299.db2.gz LAXNKQWXILVKNU-INIZCTEOSA-N 1 0 368.506 3.040 40 0 FGABRO Clc1ccc(C[N@@H+]2CCC[C@@H](Cn3nnc(-c4cccnc4)n3)C2)cc1 ZINC000019341553 220251479 /nfs/dbraw/zinc/25/14/79/220251479.db2.gz SNJCSECZZHFTON-MRXNPFEDSA-N 1 0 368.872 3.301 40 0 FGABRO [NH3+]CCC(=O)N1[C@@H]2CC[C@H]1Cc1nc(C3CC3)nc(Nc3ccccc3)c12 ZINC000019373006 220253390 /nfs/dbraw/zinc/25/33/90/220253390.db2.gz PVGYDZHJUJSICL-DOTOQJQBSA-N 1 0 363.465 3.035 40 0 FGABRO c1ccc2nc(C[NH+]3CCC(c4nnc(-c5cnccn5)o4)CC3)ccc2c1 ZINC000019376323 220256288 /nfs/dbraw/zinc/25/62/88/220256288.db2.gz DWCCKISVQZJQGW-UHFFFAOYSA-N 1 0 372.432 3.454 40 0 FGABRO CCOc1ccccc1C[N@@H+]1CCC[C@@H](c2cc(N)n3nc(C)cc3n2)C1 ZINC000019520175 220265527 /nfs/dbraw/zinc/26/55/27/220265527.db2.gz XNIAJWKRFYIBOY-MRXNPFEDSA-N 1 0 365.481 3.398 40 0 FGABRO C[C@@H]1Cc2cc(CC(=O)N3CCCC[C@H]3CC[NH+]3CCCC3)ccc2O1 ZINC000019498091 220264326 /nfs/dbraw/zinc/26/43/26/220264326.db2.gz KGHYFKKYFSULCJ-XLIONFOSSA-N 1 0 356.510 3.420 40 0 FGABRO COc1cc(CN(Cc2ccccn2)C[C@@H]2CCCO2)cc(OC)c1OC ZINC000019549652 220269247 /nfs/dbraw/zinc/26/92/47/220269247.db2.gz LLNKDHRIUDSPPI-SFHVURJKSA-N 1 0 372.465 3.289 40 0 FGABRO COc1ccc2[nH]cc([C@H](O)C[NH+]3CCC(Oc4cccnc4)CC3)c2c1 ZINC000019563200 220274399 /nfs/dbraw/zinc/27/43/99/220274399.db2.gz LCKRSAVATGYXHN-OAQYLSRUSA-N 1 0 367.449 3.148 40 0 FGABRO Cc1noc(C)c1CCC(=O)N1CCC[C@H]2[NH2+]C[C@H](c3ccc(F)cc3)[C@H]21 ZINC000019580717 220275222 /nfs/dbraw/zinc/27/52/22/220275222.db2.gz REMDBBVSAPJTOW-SFHLNBCPSA-N 1 0 371.456 3.110 40 0 FGABRO COc1nc(N(C)C)sc1-c1cncn1Cc1ccc(C[NH+](C)C)cc1 ZINC000019720027 220292601 /nfs/dbraw/zinc/29/26/01/220292601.db2.gz ONTSIMZQZCFRHL-UHFFFAOYSA-N 1 0 371.510 3.191 40 0 FGABRO Cn1nc(C(F)(F)F)c2cc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)sc21 ZINC000020616196 220336303 /nfs/dbraw/zinc/33/63/03/220336303.db2.gz RNIBYGPJJGVMJC-PBINXNQUSA-N 1 0 372.416 3.009 40 0 FGABRO CCOC(=O)c1sc(N2CC[NH2+]CC2)nc1-c1cccc(Cl)c1 ZINC000021986857 220372344 /nfs/dbraw/zinc/37/23/44/220372344.db2.gz KSGYSCLRTCFYJD-UHFFFAOYSA-N 1 0 351.859 3.050 40 0 FGABRO CC1(C)S[C@H](C[NH3+])N[C@@H]1C(=O)OC(c1ccccc1)c1ccccc1 ZINC000022796902 220398694 /nfs/dbraw/zinc/39/86/94/220398694.db2.gz VJDBJGIOWKYECA-SJLPKXTDSA-N 1 0 356.491 3.088 40 0 FGABRO Cc1ccc(CS(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000044872246 220962649 /nfs/dbraw/zinc/96/26/49/220962649.db2.gz KSDIVGFKANTOJU-UHFFFAOYSA-N 1 0 358.507 3.210 40 0 FGABRO Cc1ccc2c(c1)[nH]cc2[C@@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000019219740 136152220 /nfs/dbraw/zinc/15/22/20/136152220.db2.gz LYOJFYJHOWOXEL-NRFANRHFSA-N 1 0 353.441 3.471 40 0 FGABRO c1ccc(CC[N@@H+]2CCC[C@]3(C[C@@H](OCc4ccncc4)CO3)C2)cc1 ZINC000096107305 222026423 /nfs/dbraw/zinc/02/64/23/222026423.db2.gz BOFAYRLAMOZWJY-YADHBBJMSA-N 1 0 352.478 3.464 40 0 FGABRO Cc1cccc2c1nc1n2[C@@H](C[NH2+]Cc2nc3ccccc3n2C)COC1 ZINC000096112651 222029688 /nfs/dbraw/zinc/02/96/88/222029688.db2.gz RCOXGQSJLFQHHN-HNNXBMFYSA-N 1 0 361.449 3.093 40 0 biogenic,in-vitro FGABRO Cc1cccc(C(=O)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccco4)[C@@H]3C2)n1 ZINC000096054586 222003219 /nfs/dbraw/zinc/00/32/19/222003219.db2.gz WNSPPFIOWBRUPQ-ILZDJORESA-N 1 0 353.466 3.356 40 0 FGABRO CCS(=O)(=O)N1CCC[C@@]2(CCC[N@@H+]2Cc2cccc(Cl)c2)C1 ZINC000096071275 222012673 /nfs/dbraw/zinc/01/26/73/222012673.db2.gz XJMWLMBQHPXRKE-KRWDZBQOSA-N 1 0 356.919 3.120 40 0 FGABRO CNC(=O)[C@@H]1CC2(CC[NH+](Cc3csc(C)n3)CC2)c2ccccc21 ZINC000096079295 222015353 /nfs/dbraw/zinc/01/53/53/222015353.db2.gz PGEJMFHMRDYTRW-QGZVFWFLSA-N 1 0 355.507 3.219 40 0 FGABRO O=C(C1CCCCC1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC000096239959 222095091 /nfs/dbraw/zinc/09/50/91/222095091.db2.gz NPALJVVMZXSUQB-UHFFFAOYSA-N 1 0 371.525 3.103 40 0 FGABRO Cc1ccccc1C[N@@H+]1CC[C@]2(C1)COCc1cnc(NCC3CC3)nc12 ZINC000096244097 222098115 /nfs/dbraw/zinc/09/81/15/222098115.db2.gz FVZIIJNLDISDRH-QFIPXVFZSA-N 1 0 364.493 3.281 40 0 FGABRO Cc1ccc(C[N@@H+]2CCCC3(CCN(C(=O)[C@H]4CCOC4)CC3)C2)cc1 ZINC000096158522 222058007 /nfs/dbraw/zinc/05/80/07/222058007.db2.gz DCOUWJWGQKYPDU-FQEVSTJZSA-N 1 0 356.510 3.236 40 0 FGABRO NC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039751666 263399314 /nfs/dbraw/zinc/39/93/14/263399314.db2.gz ZNBBUSQMIYMIAM-UHFFFAOYSA-N 1 0 371.868 3.290 40 0 FGABRO CC[C@@H](C)c1ccccc1OC[C@@H](O)C[N@H+](CCO)Cc1ccccc1 ZINC000002694433 493815361 /nfs/dbraw/zinc/81/53/61/493815361.db2.gz LUARTIXBNIEQLK-QUCCMNQESA-N 1 0 357.494 3.434 40 0 FGABRO O=C(C[NH2+]CCN1CCCCC1)Nc1ccccc1N1CCCCCC1 ZINC000035311419 494074294 /nfs/dbraw/zinc/07/42/94/494074294.db2.gz WREFEPXJOXXCGC-UHFFFAOYSA-N 1 0 358.530 3.081 40 0 FGABRO COc1cc2c(cc1OC)[C@H](c1cc3cc(C)cc(C)c3[nH]c1=O)[NH2+]CC2 ZINC000035316189 494074793 /nfs/dbraw/zinc/07/47/93/494074793.db2.gz WURRIVINXSMKDW-OAQYLSRUSA-N 1 0 364.445 3.397 40 0 FGABRO COC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039755927 494124153 /nfs/dbraw/zinc/12/41/53/494124153.db2.gz FURZJGRQYKFGRP-UHFFFAOYSA-N 1 0 370.424 3.463 40 0 FGABRO Cc1cc(C)n2nc(C3=CC[N@H+](C[C@@H](O)c4ccccc4F)CC3)cc2n1 ZINC000072342776 494154868 /nfs/dbraw/zinc/15/48/68/494154868.db2.gz XZALQBPNWLOUOC-HXUWFJFHSA-N 1 0 366.440 3.308 40 0 FGABRO CC(=O)NCc1cnc([C@H]2CCC[N@@H+]2C2CCOCC2)cc1C(F)(F)F ZINC000072356202 494157343 /nfs/dbraw/zinc/15/73/43/494157343.db2.gz INMCJLFTVDXKFY-QGZVFWFLSA-N 1 0 371.403 3.052 40 0 FGABRO C[NH+](C)CC(=O)N1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072359095 494157711 /nfs/dbraw/zinc/15/77/11/494157711.db2.gz NOPHKGYTZZEJHW-HNNXBMFYSA-N 1 0 358.873 3.065 40 0 FGABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](n3c4ccccc4oc3=O)C2)cc1 ZINC000012119169 494205987 /nfs/dbraw/zinc/20/59/87/494205987.db2.gz GXYNGJFWIHXDHZ-SFHVURJKSA-N 1 0 365.433 3.390 40 0 FGABRO CCCn1c(C[NH2+][C@@H]2COC[C@H]2Cc2cc(C)no2)nc2ccccc21 ZINC000012128450 494207040 /nfs/dbraw/zinc/20/70/40/494207040.db2.gz HTVIOCUGTGAQIR-CRAIPNDOSA-N 1 0 354.454 3.090 40 0 FGABRO CC(=O)N1Cc2cc(C)ccc2OC2(CC[NH+](Cc3cccnc3)CC2)C1 ZINC000012133558 494207225 /nfs/dbraw/zinc/20/72/25/494207225.db2.gz FEBCZNQMKOOABG-UHFFFAOYSA-N 1 0 365.477 3.166 40 0 FGABRO Cc1cnc2[nH]c(-c3cccs3)c(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2c1 ZINC000012223075 494216106 /nfs/dbraw/zinc/21/61/06/494216106.db2.gz WVJBPZGQEOIKFS-CYBMUJFWSA-N 1 0 354.479 3.297 40 0 FGABRO COc1ccc(C[NH+]2CCC3(CC2)OCCc2cnc(C)nc23)c(C)c1C ZINC000012337916 494225153 /nfs/dbraw/zinc/22/51/53/494225153.db2.gz PYKXHVLQTRCBMB-UHFFFAOYSA-N 1 0 367.493 3.474 40 0 FGABRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000012362865 494226770 /nfs/dbraw/zinc/22/67/70/494226770.db2.gz PBQMBPGRBSCSFT-INIZCTEOSA-N 1 0 361.486 3.482 40 0 FGABRO CCOc1ccc(NC(=S)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000044222038 494343685 /nfs/dbraw/zinc/34/36/85/494343685.db2.gz YGYWIMDXFUFJSA-UHFFFAOYSA-N 1 0 370.522 3.431 40 0 FGABRO COc1ccc(OC[C@H](C)[NH2+]Cc2cnc(N3CCC(C)CC3)nc2)cc1 ZINC000019497093 494446193 /nfs/dbraw/zinc/44/61/93/494446193.db2.gz GIPXDTKLMCBXGH-KRWDZBQOSA-N 1 0 370.497 3.279 40 0 FGABRO C[N@@H+]1CCCCC[C@@H]2[C@@H]1C[C@@H](Cc1ccccc1)N2C(=O)c1cnccn1 ZINC000019712872 494456388 /nfs/dbraw/zinc/45/63/88/494456388.db2.gz VHJNRLPHCSUMIP-NRSPTQNISA-N 1 0 364.493 3.177 40 0 FGABRO C[C@H]1CCCN(c2ncc(-c3cncn3CCC[NH+]3CCCCC3)cn2)C1 ZINC000019719997 494458791 /nfs/dbraw/zinc/45/87/91/494458791.db2.gz OAGUOBOEBKAIFU-SFHVURJKSA-N 1 0 368.529 3.452 40 0 FGABRO Cc1nc(CN2CCC3(CC(=O)N(Cc4cccc(C)c4)C3)CC2)c[nH]1 ZINC000108524789 494730280 /nfs/dbraw/zinc/73/02/80/494730280.db2.gz UHJIZBNWVGKSDL-UHFFFAOYSA-N 1 0 352.482 3.041 40 0 FGABRO Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3OCCN(Cc4ccncc4)[C@H]3C2)c1 ZINC000108535682 494732161 /nfs/dbraw/zinc/73/21/61/494732161.db2.gz NFUIMILPBXTHQA-SFTDATJTSA-N 1 0 355.457 3.004 40 0 FGABRO Cc1cc(C)n(Cc2ccc(C(=O)NCCC[N@H+]3CCC[C@H](C)C3)cc2)n1 ZINC000140256762 495492136 /nfs/dbraw/zinc/49/21/36/495492136.db2.gz PZNFWOQLGDHIAW-KRWDZBQOSA-N 1 0 368.525 3.400 40 0 FGABRO COC[C@@H]1CN(C(=O)c2ccco2)CC12CC[NH+](Cc1cccs1)CC2 ZINC000247846095 496919919 /nfs/dbraw/zinc/91/99/19/496919919.db2.gz MRMGBLFDEDGTFB-INIZCTEOSA-N 1 0 374.506 3.342 40 0 FGABRO COC[C@H]1C[N@H+](Cc2ccsc2)CC12CCN(C(=O)c1ccco1)CC2 ZINC000247899682 496926137 /nfs/dbraw/zinc/92/61/37/496926137.db2.gz VRMIOOOUCDODEG-QGZVFWFLSA-N 1 0 374.506 3.342 40 0 FGABRO O[C@]1(c2ccccc2)CC[N@H+](Cc2cccc(OC[C@H]3CCCO3)c2)C1 ZINC000247957509 496932358 /nfs/dbraw/zinc/93/23/58/496932358.db2.gz OGKGTIPNROVSPT-FGZHOGPDSA-N 1 0 353.462 3.338 40 0 FGABRO Cc1ccc(S(=O)(=O)[C@H]2[C@H]([NH3+])[C@@H]2c2ccc(Br)cc2)cc1 ZINC000218233047 497001079 /nfs/dbraw/zinc/00/10/79/497001079.db2.gz WZSVTYVQNACFCI-ARFHVFGLSA-N 1 0 366.280 3.025 40 0 FGABRO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1c(C)cc(OC)cc1C ZINC000223105301 497032026 /nfs/dbraw/zinc/03/20/26/497032026.db2.gz HWXHNPLGQGSSIA-QGZVFWFLSA-N 1 0 368.543 3.245 40 0 FGABRO C[NH+]1CCC(Oc2ccc(CNC(=S)Nc3ccncc3)cc2)CC1 ZINC000225775362 497074854 /nfs/dbraw/zinc/07/48/54/497074854.db2.gz ZQKIQBTWXOQPGA-UHFFFAOYSA-N 1 0 356.495 3.041 40 0 FGABRO CC[NH+](CC)C[C@@H]1CCC2(CN(C(=O)c3cc4ccccc4[nH]3)C2)OC1 ZINC000575405738 505973209 /nfs/dbraw/zinc/97/32/09/505973209.db2.gz ZPBFZGZQXREIRW-INIZCTEOSA-N 1 0 355.482 3.131 40 0 FGABRO CC(C)C[N@@H+]1CC[C@]12CCCN(C(=O)c1ccnc(C(F)(F)F)c1)C2 ZINC000585102075 507568283 /nfs/dbraw/zinc/56/82/83/507568283.db2.gz QIMCHCZMGAOITE-KRWDZBQOSA-N 1 0 355.404 3.437 40 0 FGABRO COc1ccc(C[NH+]2CC3(C2)C[C@@H](OCc2cccnc2)CS3)cc1 ZINC000585104989 507571157 /nfs/dbraw/zinc/57/11/57/507571157.db2.gz NFISVQDIFTYQLN-LJQANCHMSA-N 1 0 356.491 3.367 40 0 FGABRO CC1(C)CCC([N@@H+]2CCOC[C@@](O)(COc3cccc(F)c3)C2)CC1 ZINC000585282009 507583887 /nfs/dbraw/zinc/58/38/87/507583887.db2.gz FLTUQLAQFWJRNJ-HXUWFJFHSA-N 1 0 351.462 3.237 40 0 FGABRO Cc1ccc(Cl)c(OC[C@@]2(O)C[N@@H+](C3CCCCC3)CC[C@@H]2O)c1 ZINC000585284580 507584823 /nfs/dbraw/zinc/58/48/23/507584823.db2.gz YQEIGRWZDRZIHU-OALUTQOASA-N 1 0 353.890 3.158 40 0 FGABRO C[NH+](C)C/C=C/C(=O)N1CCC[C@H]1c1csc(Nc2ccccn2)n1 ZINC000585292458 507586947 /nfs/dbraw/zinc/58/69/47/507586947.db2.gz MWGWFIPVOATJIK-PPYMECGQSA-N 1 0 357.483 3.063 40 0 FGABRO Cc1cc(C)c2[nH]c(=O)c(C[NH2+]C[C@H](O)COCc3ccccc3)cc2c1 ZINC000585294756 507588304 /nfs/dbraw/zinc/58/83/04/507588304.db2.gz JGMYDNHQMMRVKV-FQEVSTJZSA-N 1 0 366.461 3.225 40 0 FGABRO Cc1cc(CN(C)C(=O)c2ncccc2-c2cccc(C[NH+](C)C)c2)no1 ZINC000257292775 534165251 /nfs/dbraw/zinc/16/52/51/534165251.db2.gz QMXZIUSSMTZNEG-UHFFFAOYSA-N 1 0 364.449 3.379 40 0 FGABRO c1cc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4cccnc4)C2)OC3)cs1 ZINC000306132704 534465933 /nfs/dbraw/zinc/46/59/33/534465933.db2.gz LPQPYANUMWEXHS-IBGZPJMESA-N 1 0 352.463 3.182 40 0 FGABRO C[C@@H]1C[N@H+](C[C@H](Cc2ccccc2)C(N)=O)CC[C@@]1(C)c1cccc(O)c1 ZINC000390823266 524973329 /nfs/dbraw/zinc/97/33/29/524973329.db2.gz XIXMDCGNWYDFMB-HFJQGTKSSA-N 1 0 366.505 3.336 40 0 FGABRO CC(C)[C@H](CO)Nc1nc(NCc2ccc(F)c(F)c2)cc(C2CC2)[nH+]1 ZINC000329046973 529025526 /nfs/dbraw/zinc/02/55/26/529025526.db2.gz UDLGOMKUCJZICL-KRWDZBQOSA-N 1 0 362.424 3.095 40 0 FGABRO CCc1cnc(N2CCC3(CCC[N@H+](Cc4ccccn4)C3)CC2)nc1 ZINC000096158495 536057464 /nfs/dbraw/zinc/05/74/64/536057464.db2.gz IDBHBQHSAWNDOU-UHFFFAOYSA-N 1 0 351.498 3.317 40 0 FGABRO CC(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(Cl)cc3)CCN2C(C)(C)C1 ZINC000514289911 560031334 /nfs/dbraw/zinc/03/13/34/560031334.db2.gz PXMJKDSERMPDQW-GOSISDBHSA-N 1 0 363.933 3.217 40 0 biogenic,in-vitro FGABRO C[N@@H+]1CC[C@H](COCC2CC2)CC12CN(C(=O)c1cc3ccccc3[nH]1)C2 ZINC000306136138 529804926 /nfs/dbraw/zinc/80/49/26/529804926.db2.gz PKLWMCCHDGFRQK-KRWDZBQOSA-N 1 0 367.493 3.131 40 0 FGABRO C[N@@H+]1CC[C@H](COCC2CC2)CC12CN(C(=O)c1c[nH]c3ccccc13)C2 ZINC000306124148 529805021 /nfs/dbraw/zinc/80/50/21/529805021.db2.gz BHSCCVWWAGBAQM-KRWDZBQOSA-N 1 0 367.493 3.131 40 0 FGABRO Cc1ncsc1C[NH+]1CCC(c2cncc(-c3nccn3C)n2)CC1 ZINC000257210289 223019940 /nfs/dbraw/zinc/01/99/40/223019940.db2.gz BTZIWPDVETYIAP-UHFFFAOYSA-N 1 0 354.483 3.022 40 0 FGABRO Cc1noc(C)c1-c1cccc(C2CC[NH+](Cc3cn(C)cn3)CC2)n1 ZINC000257214103 223023285 /nfs/dbraw/zinc/02/32/85/223023285.db2.gz CKNCNABTIAYMEQ-UHFFFAOYSA-N 1 0 351.454 3.467 40 0 FGABRO Cc1ncsc1C[NH+]1CCC(c2nccnc2Nc2cnccn2)CC1 ZINC000257303215 223058420 /nfs/dbraw/zinc/05/84/20/223058420.db2.gz SGFTXRDKJGGRFZ-UHFFFAOYSA-N 1 0 367.482 3.155 40 0 FGABRO CCCN(CC1CC1)C(=O)Cn1c(C2CC[NH2+]CC2)cc2cccnc21 ZINC000012133729 219958610 /nfs/dbraw/zinc/95/86/10/219958610.db2.gz LNWARRMZUGLSHP-UHFFFAOYSA-N 1 0 354.498 3.152 40 0 FGABRO CCC(=O)N(c1ccccc1)C1CC[NH+]([C@@H](O)Cc2ccccc2)CC1 ZINC000012649931 220015327 /nfs/dbraw/zinc/01/53/27/220015327.db2.gz SFGPUNPRPAPHFW-QFIPXVFZSA-N 1 0 352.478 3.455 40 0 FGABRO COc1ccc(CC[NH2+]Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1OC ZINC000013998917 220101743 /nfs/dbraw/zinc/10/17/43/220101743.db2.gz OYDZEAJPHCFRLL-UHFFFAOYSA-N 1 0 366.461 3.494 40 0 FGABRO O[C@@H]1C[C@@H](c2nc(Cc3ccccc3)no2)N(CCCc2ccccc2)C1 ZINC000015674624 220159666 /nfs/dbraw/zinc/15/96/66/220159666.db2.gz VXQMKLYKEKXLSQ-UXHICEINSA-N 1 0 363.461 3.401 40 0 biogenic,in-vitro FGABRO COCC(=O)NC1CC[NH+](CC2(c3ccc(C)cc3)CCCCC2)CC1 ZINC000019208544 220239277 /nfs/dbraw/zinc/23/92/77/220239277.db2.gz SPPKAOFWAZTCJF-UHFFFAOYSA-N 1 0 358.526 3.424 40 0 FGABRO O=C(CCc1cccc(Cl)c1)N1CCC[C@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019293374 220245908 /nfs/dbraw/zinc/24/59/08/220245908.db2.gz SCDOQOASCLOOLX-SFHVURJKSA-N 1 0 370.884 3.072 40 0 FGABRO Cc1nc2c(c(=O)[nH]1)C[C@H]1CC[C@@H](C2)[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000019286351 220246603 /nfs/dbraw/zinc/24/66/03/220246603.db2.gz SHKSJFUSVLTJGE-CABCVRRESA-N 1 0 363.383 3.229 40 0 FGABRO Fc1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 ZINC000019348977 220253002 /nfs/dbraw/zinc/25/30/02/220253002.db2.gz JSVVPJGMTBTDQO-VNQPRFMTSA-N 1 0 365.403 3.320 40 0 FGABRO CCc1nccn1CC1(O)CC[NH+](Cc2ccccc2N2CCCC2)CC1 ZINC000019523624 220265256 /nfs/dbraw/zinc/26/52/56/220265256.db2.gz HIZXMHWFRONMER-UHFFFAOYSA-N 1 0 368.525 3.073 40 0 FGABRO CN1CCc2nc(NC(=O)c3cc(-n4cccn4)ccc3Cl)sc2C1 ZINC000019664933 220282919 /nfs/dbraw/zinc/28/29/19/220282919.db2.gz PYKSVRFJNWJSSY-UHFFFAOYSA-N 1 0 373.869 3.222 40 0 FGABRO Nc1n[nH]c2nc([C@H]3CCC[N@H+](Cc4ccnc5ccccc45)C3)ccc12 ZINC000019742827 220292607 /nfs/dbraw/zinc/29/26/07/220292607.db2.gz RADDXMLYAFOSBO-HNNXBMFYSA-N 1 0 358.449 3.468 40 0 FGABRO Cc1c([C@H](C)NC(=O)CC2CC[NH+](CCc3ccccc3)CC2)cnn1C ZINC000019748369 220293652 /nfs/dbraw/zinc/29/36/52/220293652.db2.gz AQHGTHUQDGTWTM-KRWDZBQOSA-N 1 0 368.525 3.251 40 0 FGABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccc(C(N)=O)cc3)cc2)CC1 ZINC000020112494 220312397 /nfs/dbraw/zinc/31/23/97/220312397.db2.gz FVOBDOUPNAXMFA-UHFFFAOYSA-N 1 0 351.450 3.270 40 0 FGABRO COc1cccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4ccoc4)C2)OC3)c1 ZINC000306143570 533370571 /nfs/dbraw/zinc/37/05/71/533370571.db2.gz YFQKQJJPSGRRIC-NRFANRHFSA-N 1 0 365.433 3.327 40 0 FGABRO CCc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(NC2CC2)[nH+]1 ZINC000329010158 132372647 /nfs/dbraw/zinc/37/26/47/132372647.db2.gz LZRIOXUNDNXFCJ-UHFFFAOYSA-N 1 0 352.482 3.403 40 0 FGABRO Cc1ncsc1C[NH+]1CCC2(CCOC[C@@H]2COCC2CC2)CC1 ZINC000096106488 222025457 /nfs/dbraw/zinc/02/54/57/222025457.db2.gz CQEZNNWGLJZPMO-QGZVFWFLSA-N 1 0 350.528 3.497 40 0 FGABRO Cc1ncsc1C[NH+]1CCC2(CO[C@@H](COc3ccccn3)C2)CC1 ZINC000096110799 222028025 /nfs/dbraw/zinc/02/80/25/222028025.db2.gz IRVDQCPYKIDOGX-MRXNPFEDSA-N 1 0 359.495 3.297 40 0 FGABRO CC(C)CC[N@@H+]1C[C@@H]2C[C@H]1C(=O)N(Cc1cccnc1)c1ccccc1O2 ZINC000096111832 222029018 /nfs/dbraw/zinc/02/90/18/222029018.db2.gz NFQMOVNNRJMKCJ-ICSRJNTNSA-N 1 0 365.477 3.496 40 0 biogenic,in-vitro FGABRO Cc1nc(C[N@@H+]2CC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)cs1 ZINC000096050626 222001568 /nfs/dbraw/zinc/00/15/68/222001568.db2.gz ZRRQOALIVLNCHF-LJQANCHMSA-N 1 0 359.470 3.215 40 0 FGABRO COC[C@H]1CC2(CN1c1ncccn1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096051807 222003794 /nfs/dbraw/zinc/00/37/94/222003794.db2.gz DYZRYNJQBNHWID-LJQANCHMSA-N 1 0 370.472 3.123 40 0 FGABRO Cc1ccc(C[N@@H+]2C[C@@H](OCc3csc(C)n3)[C@H]3COC[C@H]32)s1 ZINC000096055881 222004802 /nfs/dbraw/zinc/00/48/02/222004802.db2.gz CQMOCFISINEXIX-GVDBMIGSSA-N 1 0 350.509 3.237 40 0 FGABRO CCS(=O)(=O)N1CCC2(C[C@H]([NH2+]Cc3ccco3)c3ccccc32)CC1 ZINC000096241528 222096552 /nfs/dbraw/zinc/09/65/52/222096552.db2.gz GAEKTWPIFFNAGS-IBGZPJMESA-N 1 0 374.506 3.198 40 0 FGABRO CCC[N@@H+]1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2Cc1ccccc1 ZINC000096143111 222047210 /nfs/dbraw/zinc/04/72/10/222047210.db2.gz FLTXCXBGMUDNMP-FQEVSTJZSA-N 1 0 356.491 3.202 40 0 FGABRO O=C(C[C@H]1OC[C@H]2C[N@H+](Cc3ccsc3)CC[C@H]21)Nc1cccnc1 ZINC000096206494 222075976 /nfs/dbraw/zinc/07/59/76/222075976.db2.gz HUPFGFPTROPFFA-KBAYOESNSA-N 1 0 357.479 3.009 40 0 FGABRO CCOC[C@H]1CCC2(CCN(C(=O)c3cc(C)c(C)s3)CC2)[N@@H+]1C ZINC000096207263 222076407 /nfs/dbraw/zinc/07/64/07/222076407.db2.gz ZFOTWBNUNDFGLM-MRXNPFEDSA-N 1 0 350.528 3.470 40 0 FGABRO Cc1ccc(C(=O)N2CCC3(CC[C@@H](COCC4CC4)[N@H+]3C)CC2)cc1 ZINC000096208677 222078412 /nfs/dbraw/zinc/07/84/12/222078412.db2.gz PGYBJKOVVBGFHB-FQEVSTJZSA-N 1 0 356.510 3.491 40 0 FGABRO COC[C@H]1CC2(C[N@@H+]1C)CCN(C(=O)c1ccc(F)c(Cl)c1)CC2 ZINC000096207815 222078480 /nfs/dbraw/zinc/07/84/80/222078480.db2.gz JSODJDMRBXNRTH-CQSZACIVSA-N 1 0 354.853 3.052 40 0 FGABRO Cc1ccc(C[NH+]2CCC3(CCOC[C@H]3NC(=O)C(C)C)CC2)s1 ZINC000096209795 222080130 /nfs/dbraw/zinc/08/01/30/222080130.db2.gz LWEHJGHBTTYPKJ-QGZVFWFLSA-N 1 0 350.528 3.200 40 0 FGABRO O=C(c1c[nH]c2ccccc12)N1CCC[C@@]2(C[C@@H](C[NH+]3CCCC3)CO2)C1 ZINC000096228347 222089999 /nfs/dbraw/zinc/08/99/99/222089999.db2.gz PYTGIERHORANNY-HTAPYJJXSA-N 1 0 367.493 3.275 40 0 FGABRO C[NH2+]Cc1cc([C@H]2CC[C@H](CN(C)C(=O)[C@@H]3CC=CCC3)CC2)nn1C ZINC000100687659 222249064 /nfs/dbraw/zinc/24/90/64/222249064.db2.gz GSVRWQBJGISZPS-FGTMMUONSA-N 1 0 358.530 3.228 40 0 FGABRO Cc1cccc(C)c1C[NH+]1CCC2(CC1)C[C@@H](NC(=O)C1CC1)CCO2 ZINC000108535604 222421042 /nfs/dbraw/zinc/42/10/42/222421042.db2.gz RKZVJVYYUDIOMU-IBGZPJMESA-N 1 0 356.510 3.343 40 0 FGABRO COC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000039747921 263399671 /nfs/dbraw/zinc/39/96/71/263399671.db2.gz UNNPFERTRWFFOY-UHFFFAOYSA-N 1 0 370.424 3.463 40 0 FGABRO COc1cc([C@](O)(c2ccccc2)[C@H]2CCCC[NH2+]2)cc(OC)c1OC ZINC000001604297 493796854 /nfs/dbraw/zinc/79/68/54/493796854.db2.gz WJNADZRAMWNFKF-TZIWHRDSSA-N 1 0 357.450 3.090 40 0 FGABRO COc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCC(N)=O ZINC000004558210 493882512 /nfs/dbraw/zinc/88/25/12/493882512.db2.gz BATRBBOVCLXNDC-YMXMSLLWSA-N 1 0 372.509 3.254 40 0 FGABRO CC[NH+](CC)CCOC(=O)[C@@](O)(c1ccccc1)c1cc(C)ccc1C ZINC000006382263 493961385 /nfs/dbraw/zinc/96/13/85/493961385.db2.gz ZHWURNQSWYLVPL-JOCHJYFZSA-N 1 0 355.478 3.424 40 0 FGABRO CC(C)(C)NC(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(-c2ccccc2)on1 ZINC000008623602 494098723 /nfs/dbraw/zinc/09/87/23/494098723.db2.gz YOAXLSAJQQKGCD-IRXDYDNUSA-N 1 0 355.482 3.415 40 0 biogenic,in-vitro FGABRO CC(=O)N1Cc2cc(C)ccc2O[C@]2(CCC[N@H+](Cc3ccncc3)C2)C1 ZINC000072334230 494153756 /nfs/dbraw/zinc/15/37/56/494153756.db2.gz ZJRWCPOKVKCGJJ-QFIPXVFZSA-N 1 0 365.477 3.166 40 0 FGABRO COCCOc1ccc(C[N@H+]2C[C@@H]3C(c4ccc(C)cc4)=NO[C@@H]3C2)cc1 ZINC000072343280 494154842 /nfs/dbraw/zinc/15/48/42/494154842.db2.gz HFJSOHIMRVEYOZ-LEWJYISDSA-N 1 0 366.461 3.255 40 0 FGABRO COc1ccc(C[N@@H+]2CCC[C@H](c3nc(C)c(C)c(=O)[nH]3)C2)cc1OC ZINC000072351247 494155744 /nfs/dbraw/zinc/15/57/44/494155744.db2.gz UDEXLYOZJNLNRK-INIZCTEOSA-N 1 0 357.454 3.196 40 0 FGABRO c1ccc2[nH]c(C3CC[NH+](Cc4ccnc(N5CCCC5)n4)CC3)nc2c1 ZINC000072348134 494156314 /nfs/dbraw/zinc/15/63/14/494156314.db2.gz VEMDGBQZKQJBRN-UHFFFAOYSA-N 1 0 362.481 3.333 40 0 FGABRO FC(F)(F)c1cc([C@H]2CCC[NH2+]2)nc2[nH]nc(NCc3ccccn3)c21 ZINC000072380747 494160847 /nfs/dbraw/zinc/16/08/47/494160847.db2.gz ACPKCVCLSCPHII-GFCCVEGCSA-N 1 0 362.359 3.408 40 0 FGABRO O=c1cc([C@H]2CCC[N@@H+](Cc3ccccc3F)C2)nc(-c2ccncc2)[nH]1 ZINC000072392894 494162520 /nfs/dbraw/zinc/16/25/20/494162520.db2.gz CTKJMSDKTLCOEI-KRWDZBQOSA-N 1 0 364.424 3.351 40 0 FGABRO CCOc1ccc(C[N@@H+]2CCC[C@H](c3[nH]nc4nccnc43)C2)cc1OC ZINC000072393832 494163832 /nfs/dbraw/zinc/16/38/32/494163832.db2.gz UPOWTLCMBJAVMZ-HNNXBMFYSA-N 1 0 367.453 3.140 40 0 FGABRO O=c1[nH]c(-c2ccccn2)nc2c1C[N@H+](CC1=Cc3ccccc3OC1)CC2 ZINC000012122407 494207299 /nfs/dbraw/zinc/20/72/99/494207299.db2.gz SOCOHFFHRSKASW-UHFFFAOYSA-N 1 0 372.428 3.078 40 0 FGABRO Cc1nn(C(C)C)c(C)c1C[NH+]1CCC(O)(c2ccc3c(c2)OCO3)CC1 ZINC000012188216 494211547 /nfs/dbraw/zinc/21/15/47/494211547.db2.gz KDQLAXCLJNKVPH-UHFFFAOYSA-N 1 0 371.481 3.293 40 0 FGABRO C[NH+](C)[C@H](CNC(=O)C1(c2ccccc2F)CC1)c1ccc2c(c1)OCO2 ZINC000012203727 494213643 /nfs/dbraw/zinc/21/36/43/494213643.db2.gz BEYXSIQTTACUKO-QGZVFWFLSA-N 1 0 370.424 3.005 40 0 FGABRO COc1cc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c2ccccc2n1 ZINC000012198375 494213808 /nfs/dbraw/zinc/21/38/08/494213808.db2.gz CVMMFWOKFMOOGC-LJQANCHMSA-N 1 0 367.424 3.415 40 0 FGABRO COc1cccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2ccccc2O3)c1 ZINC000012329990 494225477 /nfs/dbraw/zinc/22/54/77/494225477.db2.gz QRNVFCBDGINPCI-WOJBJXKFSA-N 1 0 369.461 3.079 40 0 FGABRO COc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1 ZINC000012329872 494225516 /nfs/dbraw/zinc/22/55/16/494225516.db2.gz SJKPVXRWVPWKOM-WOJBJXKFSA-N 1 0 369.461 3.079 40 0 FGABRO Cc1ccc(CN(CCC[NH+](C)C)Cc2n[nH]nc2-c2ccccc2)o1 ZINC000043277916 494282672 /nfs/dbraw/zinc/28/26/72/494282672.db2.gz SFVBNQKNILJCGB-UHFFFAOYSA-N 1 0 353.470 3.327 40 0 FGABRO COc1ccccc1NC(=[NH2+])Nc1nc(C)c(Cc2ccccc2)c(=O)[nH]1 ZINC000017074746 494407934 /nfs/dbraw/zinc/40/79/34/494407934.db2.gz MDCANBCDYSOEGN-UHFFFAOYSA-N 1 0 363.421 3.136 40 0 FGABRO CC(C)N(C[C@@H]1CCC[NH2+]1)S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000079440471 494454672 /nfs/dbraw/zinc/45/46/72/494454672.db2.gz UDXBJJHUAJUETI-LBPRGKRZSA-N 1 0 351.299 3.145 40 0 FGABRO Cc1ncsc1C[NH+]1CCC2(CC(NC(=O)c3ccncc3)C2)CC1 ZINC000108530395 494731343 /nfs/dbraw/zinc/73/13/43/494731343.db2.gz QXBBABJMXCJOJD-UHFFFAOYSA-N 1 0 356.495 3.021 40 0 FGABRO Cc1cccnc1C[N@@H+]1CC[C@]2(CCC[C@@H]2C(=O)NCc2ccco2)C1 ZINC000108532679 494731461 /nfs/dbraw/zinc/73/14/61/494731461.db2.gz XBLOLYDHAVFJGW-WIYYLYMNSA-N 1 0 353.466 3.292 40 0 FGABRO Cc1cc(C(=O)N2CCC3(C2)CC[NH+](Cc2cccc(F)c2)CC3)no1 ZINC000096046632 494998999 /nfs/dbraw/zinc/99/89/99/494998999.db2.gz DEIURBCCFWBUHO-UHFFFAOYSA-N 1 0 357.429 3.250 40 0 FGABRO C[NH+]1CCN(CCNc2c3ccc(Cl)cc3[nH+]c3c2CCCC3)CC1 ZINC000142668923 495517817 /nfs/dbraw/zinc/51/78/17/495517817.db2.gz AKZZUONQDIGIBX-UHFFFAOYSA-N 1 0 358.917 3.426 40 0 in-vitro FGABRO O=C(c1cc2ccccc2s1)N1Cc2ccnn2[C@@H](C[NH+]2CCCC2)C1 ZINC000247939644 496930228 /nfs/dbraw/zinc/93/02/28/496930228.db2.gz PEJMRVCEPWRZBI-KRWDZBQOSA-N 1 0 366.490 3.391 40 0 FGABRO Cc1csc(CN2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)n1 ZINC000247947814 496931210 /nfs/dbraw/zinc/93/12/10/496931210.db2.gz IYIJXWXQHHTWGO-APWZRJJASA-N 1 0 359.495 3.297 40 0 FGABRO COC[C@@H]1C[N@H+](C)CC12CCN(C(=O)c1cc3ccccc3s1)CC2 ZINC000248026322 496944092 /nfs/dbraw/zinc/94/40/92/496944092.db2.gz MIESERDDTGWSBY-INIZCTEOSA-N 1 0 358.507 3.332 40 0 FGABRO CC(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c1 ZINC000223214169 497032965 /nfs/dbraw/zinc/03/29/65/497032965.db2.gz PVWRXACJFITENJ-OALUTQOASA-N 1 0 371.554 3.388 40 0 FGABRO O=C(NCCOCc1ccccc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000224553032 497050109 /nfs/dbraw/zinc/05/01/09/497050109.db2.gz ZIQSUDWIRHPKEO-UHFFFAOYSA-N 1 0 370.468 3.371 40 0 FGABRO COc1cccc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000225742435 497073655 /nfs/dbraw/zinc/07/36/55/497073655.db2.gz IGQVNPHLHHWEBM-UHFFFAOYSA-N 1 0 355.507 3.430 40 0 FGABRO COC(=O)c1ccc(C)c(NC(=S)NCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000225736489 497074072 /nfs/dbraw/zinc/07/40/72/497074072.db2.gz QCCUFOOCZMHVHQ-CQSZACIVSA-N 1 0 363.527 3.190 40 0 FGABRO CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(C[NH3+])COC)cc1 ZINC000242548299 497354827 /nfs/dbraw/zinc/35/48/27/497354827.db2.gz LIOYCOABXWMXEA-QHAWAJNXSA-N 1 0 373.518 3.089 40 0 FGABRO Cc1noc(C)c1CN1C[C@]2(CCC[N@@H+]([C@@H](C)c3ccccc3)C2)C1=O ZINC000585099405 507566023 /nfs/dbraw/zinc/56/60/23/507566023.db2.gz ILEJYFKDIYPCKY-HRAATJIYSA-N 1 0 353.466 3.477 40 0 FGABRO O=C1CC[C@@]2(CCC[N@H+](CCc3ccccc3)CC2)N1C[C@H]1CCCO1 ZINC000585099811 507566813 /nfs/dbraw/zinc/56/68/13/507566813.db2.gz CGEUGGZNMXRPFY-IFMALSPDSA-N 1 0 356.510 3.255 40 0 FGABRO Cc1ccc(C2(C(=O)N3CCC[C@]4(CC[N@@H+]4C[C@H]4CCCO4)C3)CC2)cc1 ZINC000585102050 507567637 /nfs/dbraw/zinc/56/76/37/507567637.db2.gz OPSRTHRDMXKSCO-IRLDBZIGSA-N 1 0 368.521 3.273 40 0 FGABRO Cc1ccsc1C[N@H+]1CCC[C@@H]1c1ccnc2c(C(=O)N(C)C)cnn21 ZINC000257262396 534470146 /nfs/dbraw/zinc/47/01/46/534470146.db2.gz LLFBLRFCTJRHFV-OAHLLOKOSA-N 1 0 369.494 3.138 40 0 FGABRO C[NH+]1CCC(Oc2ccc(NS(=O)(=O)Cc3ccccc3)cc2)CC1 ZINC000078578795 523782301 /nfs/dbraw/zinc/78/23/01/523782301.db2.gz NQWRLTRDJRKFNM-UHFFFAOYSA-N 1 0 360.479 3.102 40 0 FGABRO CCOCC(=O)N1[C@@H]2CCCC[C@@H]3[NH2+][C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257225614 528558708 /nfs/dbraw/zinc/55/87/08/528558708.db2.gz FGZYTQQJYBSBDB-UERWRGBPSA-N 1 0 356.510 3.156 40 0 FGABRO CC[C@@H](C)CNC(=O)c1nc(-c2ccn(CC[NH+](C)C)c2)n2ccccc12 ZINC000306138991 529326991 /nfs/dbraw/zinc/32/69/91/529326991.db2.gz SMODLBHODHCURM-MRXNPFEDSA-N 1 0 367.497 3.140 40 0 FGABRO CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000113951950 535817966 /nfs/dbraw/zinc/81/79/66/535817966.db2.gz DAOIHQIBYKMNAE-HXUWFJFHSA-N 1 0 371.456 3.374 40 0 FGABRO CN1c2ccccc2C2(CC[NH+](Cc3ccc(F)cc3)CC2)S1(=O)=O ZINC000306125584 529833077 /nfs/dbraw/zinc/83/30/77/529833077.db2.gz CUWXVHJBJHIAQG-UHFFFAOYSA-N 1 0 360.454 3.097 40 0 FGABRO CN(CCc1ccccc1)[C@H]1[C@H]([NH3+])CC[C@@H](Oc2ccccc2Cl)[C@@H]1O ZINC000257329932 529934585 /nfs/dbraw/zinc/93/45/85/529934585.db2.gz XMCAZMVGXFDCOW-PBASOCQRSA-N 1 0 374.912 3.113 40 0 FGABRO CCOC[C@@]1(C[NH3+])[C@@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218542369 222683414 /nfs/dbraw/zinc/68/34/14/222683414.db2.gz XFDUMIFOQNTHGJ-ACRUOGEOSA-N 1 0 373.518 3.170 40 0 FGABRO CC(C)C[NH2+][C@H](c1ccc2c(c1)OCO2)[C@@H](O)c1ccc2c(c1)OCO2 ZINC000001767509 219417564 /nfs/dbraw/zinc/41/75/64/219417564.db2.gz OGUAXMGIUWGECD-UXHICEINSA-N 1 0 357.406 3.164 40 0 FGABRO CC[NH+](CC)CCOC(=O)[C@@](O)(c1ccccc1)c1ccc(C)c(C)c1 ZINC000001768929 219417879 /nfs/dbraw/zinc/41/78/79/219417879.db2.gz RCPDVOGPLYLOSK-JOCHJYFZSA-N 1 0 355.478 3.424 40 0 FGABRO Cn1cc(C(=O)N2[C@H](Cc3ccccc3)C[C@]3(C)[NH2+]CCCCC[C@H]23)cn1 ZINC000257228843 223029243 /nfs/dbraw/zinc/02/92/43/223029243.db2.gz FVNKTLTTYSSVFK-URVUXULASA-N 1 0 366.509 3.168 40 0 FGABRO Cc1c[nH]c(-c2cc([C@@H]3CCC[N@H+](Cc4cncs4)C3)nc(C)n2)n1 ZINC000257250173 223037243 /nfs/dbraw/zinc/03/72/43/223037243.db2.gz JLJHLSDEFKIMTE-CQSZACIVSA-N 1 0 354.483 3.320 40 0 FGABRO C[C@]12CC[N@H+](Cc3ccccn3)[C@H]1CCC(=O)N2Cc1ccccc1F ZINC000257270345 223045079 /nfs/dbraw/zinc/04/50/79/223045079.db2.gz MTVFOMWLSXQESM-FPOVZHCZSA-N 1 0 353.441 3.376 40 0 FGABRO Cc1noc(C)c1-c1cc(C[C@@H]2CC[N@H+](Cc3nccs3)C2)ncn1 ZINC000257287310 223051508 /nfs/dbraw/zinc/05/15/08/223051508.db2.gz PPJZHIZPAMKPJR-AWEZNQCLSA-N 1 0 355.467 3.270 40 0 FGABRO Cc1c[nH]c(-c2cncc(CC3CC[NH+](Cc4scnc4C)CC3)n2)n1 ZINC000257313532 223061798 /nfs/dbraw/zinc/06/17/98/223061798.db2.gz UTAJAYVQPIMDSH-UHFFFAOYSA-N 1 0 368.510 3.395 40 0 FGABRO O=C1NC[C@@]2(F)CN(Cc3ccccc3-c3cccc(Cl)c3)C[C@@]12F ZINC000306138554 223111635 /nfs/dbraw/zinc/11/16/35/223111635.db2.gz SAQAJZNQMKJRLR-RTBURBONSA-N 1 0 362.807 3.369 40 0 FGABRO Cn1nccc1-c1cnc2ncn(C3CC[NH+](CCC(C)(C)C)CC3)c2n1 ZINC000306141924 223113665 /nfs/dbraw/zinc/11/36/65/223113665.db2.gz WKFFQENXXFRJRT-UHFFFAOYSA-N 1 0 367.501 3.300 40 0 FGABRO Cc1cc(C[C@@H]2COC[C@H]2[N@@H+](Cc2ccc(F)cc2)C[C@@H]2CCOC2)on1 ZINC000019120615 220236631 /nfs/dbraw/zinc/23/66/31/220236631.db2.gz WJNGLWZMEDAQIC-WAOWUJCRSA-N 1 0 374.456 3.218 40 0 FGABRO Cc1ccc([C@H](C)C(=O)N2CCCC[C@H]2c2ncc3c(n2)CC[NH2+]C3)cc1 ZINC000019136113 220237491 /nfs/dbraw/zinc/23/74/91/220237491.db2.gz WLSUASXLJKKMGQ-JXFKEZNVSA-N 1 0 364.493 3.288 40 0 FGABRO Cc1cc(C)n(C[C@@H](O)C[N@H+](Cc2ccco2)Cc2ccc(C)cc2)n1 ZINC000019210147 220239434 /nfs/dbraw/zinc/23/94/34/220239434.db2.gz DFGCXCHZBTYGBI-FQEVSTJZSA-N 1 0 353.466 3.465 40 0 FGABRO COc1cccc(C[N@@H+]2C[C@@H](c3cccc(C)n3)[C@]3(C2)CCCC(=O)N3)c1 ZINC000019236369 220243441 /nfs/dbraw/zinc/24/34/41/220243441.db2.gz ZZVWZCDTNDDWFF-SIKLNZKXSA-N 1 0 365.477 3.037 40 0 FGABRO Cc1cnc(-c2nnc([C@@H]3CC[N@H+](Cc4ccc(F)c(F)c4)C3)o2)cn1 ZINC000019239172 220243653 /nfs/dbraw/zinc/24/36/53/220243653.db2.gz YOHHGFGKWPEJQC-CYBMUJFWSA-N 1 0 357.364 3.103 40 0 FGABRO COc1cccc(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C2)c1OC ZINC000019237745 220243991 /nfs/dbraw/zinc/24/39/91/220243991.db2.gz ZNROLZVNIXJLQH-CECAUBDESA-N 1 0 368.477 3.137 40 0 FGABRO O=c1cc(-c2ccccn2)nc([C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)[nH]1 ZINC000019349021 220253835 /nfs/dbraw/zinc/25/38/35/220253835.db2.gz FOUBADLFUPNBHV-MRXNPFEDSA-N 1 0 364.424 3.351 40 0 FGABRO COc1ccc2[nH]c(CN3CCC([N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)cc2c1 ZINC000019497376 220264541 /nfs/dbraw/zinc/26/45/41/220264541.db2.gz QXJUVXWLNPJYJH-IYBDPMFKSA-N 1 0 357.498 3.250 40 0 FGABRO CCCNC(=O)c1cc([C@@H]2CCC[N@H+](Cc3ccc(OC)cc3)C2)no1 ZINC000019503687 220266948 /nfs/dbraw/zinc/26/69/48/220266948.db2.gz MZFMWSCBBSZFSR-MRXNPFEDSA-N 1 0 357.454 3.203 40 0 FGABRO COc1ccc2[nH]cc([C@@H](O)C[NH+]3CCC(Oc4cccnc4)CC3)c2c1 ZINC000019563198 220274282 /nfs/dbraw/zinc/27/42/82/220274282.db2.gz LCKRSAVATGYXHN-NRFANRHFSA-N 1 0 367.449 3.148 40 0 FGABRO Cc1noc2nc(C(C)C)cc(C(=O)N3CCC(CC[NH+](C)C)CC3)c12 ZINC000019663518 220282576 /nfs/dbraw/zinc/28/25/76/220282576.db2.gz ILJOASRDPHUJOI-UHFFFAOYSA-N 1 0 358.486 3.459 40 0 FGABRO COCCc1ncc(C[N@@H+]2CCC[C@@H](COc3ccc(F)cc3)C2)cn1 ZINC000019658580 220284101 /nfs/dbraw/zinc/28/41/01/220284101.db2.gz ADKBNFXKDLJJQF-MRXNPFEDSA-N 1 0 359.445 3.096 40 0 FGABRO CC(=O)NC1(c2ccccc2)CC[NH+](Cc2c(C)nc3ccccn32)CC1 ZINC000019659051 220283533 /nfs/dbraw/zinc/28/35/33/220283533.db2.gz MDSKNXWAMLRLEK-UHFFFAOYSA-N 1 0 362.477 3.270 40 0 FGABRO CCc1nc2ccccc2n1[C@H](C)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000019666274 220285729 /nfs/dbraw/zinc/28/57/29/220285729.db2.gz FEKOCYUMHYXNHY-MRXNPFEDSA-N 1 0 356.514 3.350 40 0 FGABRO CC(C)C[C@@H]1[NH2+][C@H](C(=O)N2CCC(CO)CC2)Cc2c[nH]c3cccc1c23 ZINC000049172037 221020669 /nfs/dbraw/zinc/02/06/69/221020669.db2.gz NTEWVIULYXVUIE-PMACEKPBSA-N 1 0 369.509 3.000 40 0 biogenic,in-vitro FGABRO c1ccc(N2CCC[C@@]3(CC[N@@H+](Cc4ccc5c(c4)OCO5)C3)C2)nc1 ZINC000096216664 132222628 /nfs/dbraw/zinc/22/26/28/132222628.db2.gz FBDZKNIKHSGIFJ-NRFANRHFSA-N 1 0 351.450 3.303 40 0 FGABRO Cc1cnc(N2CCC3(C[C@@H]([N@H+](C)Cc4cccs4)CO3)CC2)nc1 ZINC000104950170 132238449 /nfs/dbraw/zinc/23/84/49/132238449.db2.gz RMNRYLLWPSADAR-MRXNPFEDSA-N 1 0 358.511 3.106 40 0 FGABRO CCc1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc(N[C@H](C)CC)[nH+]1 ZINC000328986974 132372288 /nfs/dbraw/zinc/37/22/88/132372288.db2.gz HZPQXIIMZOSBFM-CABCVRRESA-N 1 0 354.498 3.287 40 0 FGABRO COc1ccc(C[N@@H+]2CCC(F)(F)[C@]3(CCN(c4ncccn4)C3)C2)cc1 ZINC000096051171 222001636 /nfs/dbraw/zinc/00/16/36/222001636.db2.gz HCXVSBUZVLIRMK-LJQANCHMSA-N 1 0 374.435 3.223 40 0 FGABRO Cc1ccc(C[N@@H+]2C[C@@H](C(=O)Nc3ccccc3)C3(C2)CCOCC3)o1 ZINC000096052254 222003068 /nfs/dbraw/zinc/00/30/68/222003068.db2.gz DWALCSUBUOCBSC-IBGZPJMESA-N 1 0 354.450 3.455 40 0 FGABRO Cc1nc(C[NH+]2CCC3(C[C@H](OCCO)c4ccccc43)CC2)cs1 ZINC000096079245 222015269 /nfs/dbraw/zinc/01/52/69/222015269.db2.gz OOLULJHDJHWBKR-IBGZPJMESA-N 1 0 358.507 3.439 40 0 FGABRO COc1cccc(C[N@H+]2C[C@H]3[C@H](CC[C@@]34N=C(C)N(CC(C)C)C4=O)C2)c1 ZINC000096261546 222104285 /nfs/dbraw/zinc/10/42/85/222104285.db2.gz FKCJOJQJCIDTCK-KAGYGMCKSA-N 1 0 369.509 3.192 40 0 FGABRO O=C(NCc1cccs1)[C@H]1C[C@@]2(CO1)c1ccccc1C[N@H+]2CC1CC1 ZINC000096143905 222046858 /nfs/dbraw/zinc/04/68/58/222046858.db2.gz RMEJOMFJHNTONG-TZIWHRDSSA-N 1 0 368.502 3.274 40 0 FGABRO COC[C@H]1CC2(C[N@@H+]1C)CCN(C(=O)c1cc3ccccc3s1)CC2 ZINC000096207575 222075889 /nfs/dbraw/zinc/07/58/89/222075889.db2.gz QZEXDRYXNANCKJ-MRXNPFEDSA-N 1 0 358.507 3.474 40 0 FGABRO C[N@@H+]1C[C@H](COCc2ccccn2)[C@]2(CCN(Cc3ccsc3)C2)C1 ZINC000096217295 222082180 /nfs/dbraw/zinc/08/21/80/222082180.db2.gz VWLMMULGNQXELN-UYAOXDASSA-N 1 0 357.523 3.114 40 0 FGABRO c1ccc(CC[N@@H+]2CC[C@H]3[C@@H](Cc4nnc(C5CC5)o4)OC[C@H]3C2)cc1 ZINC000096220696 222084155 /nfs/dbraw/zinc/08/41/55/222084155.db2.gz LYCOYJNWBODSRW-GUDVDZBRSA-N 1 0 353.466 3.069 40 0 FGABRO CCC[NH2+]Cc1ccc(OCc2nnnn2-c2ccc(C)cc2)c(OC)c1 ZINC000007262366 263349594 /nfs/dbraw/zinc/34/95/94/263349594.db2.gz CQYBYGNEKQIUFT-UHFFFAOYSA-N 1 0 367.453 3.058 40 0 FGABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000010544110 263366229 /nfs/dbraw/zinc/36/62/29/263366229.db2.gz BZMMVTJDAWGHQE-HUUCEWRRSA-N 1 0 358.935 3.127 40 0 FGABRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000010544109 263366583 /nfs/dbraw/zinc/36/65/83/263366583.db2.gz BZMMVTJDAWGHQE-GJZGRUSLSA-N 1 0 358.935 3.127 40 0 FGABRO CCOCCCNC(=S)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000004886037 493898879 /nfs/dbraw/zinc/89/88/79/493898879.db2.gz YUSTYPWGABICFA-YQQQUEKLSA-N 1 0 361.555 3.073 40 0 FGABRO CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000032896403 494024975 /nfs/dbraw/zinc/02/49/75/494024975.db2.gz RDLXMARCGZZLMH-HXUWFJFHSA-N 1 0 353.466 3.235 40 0 FGABRO O=C(C[NH2+]Cc1ccc2c(c1)OCO2)Nc1ccc(N2CCCCC2)cc1 ZINC000035311433 494074169 /nfs/dbraw/zinc/07/41/69/494074169.db2.gz JTTZIMPQRFFSFI-UHFFFAOYSA-N 1 0 367.449 3.134 40 0 FGABRO COc1ccc(-c2cc(C[C@H]3C[NH2+]CC[C@H]3CC(=O)NC(C)C)no2)cc1 ZINC000008623701 494098658 /nfs/dbraw/zinc/09/86/58/494098658.db2.gz JGYFQDIUCUNCPD-IRXDYDNUSA-N 1 0 371.481 3.033 40 0 biogenic,in-vitro FGABRO C[C@@H](C[N@@H+]1C[C@@H]2C[C@@H](O)CN2C[C@@H]1Cc1ccccc1)c1ccccc1 ZINC000072325156 494151574 /nfs/dbraw/zinc/15/15/74/494151574.db2.gz SQWUEUFKJRLJIY-FDTGPBLFSA-N 1 0 350.506 3.152 40 0 FGABRO C[NH+]1CCC(N2CCOC[C@H]2c2nc(-c3cccc(Cl)c3)c[nH]2)CC1 ZINC000072322127 494151682 /nfs/dbraw/zinc/15/16/82/494151682.db2.gz HLZSCSSWWPAULH-SFHVURJKSA-N 1 0 360.889 3.198 40 0 biogenic,in-vitro FGABRO O[C@@H]1C[C@H](c2ccccc2)[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)[C@@H]1O ZINC000072321869 494152052 /nfs/dbraw/zinc/15/20/52/494152052.db2.gz ABIGVQAHXVGLGA-BRSBDYLESA-N 1 0 351.368 3.073 40 0 biogenic,in-vitro FGABRO CCCC[C@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(OC)c1 ZINC000072341107 494155061 /nfs/dbraw/zinc/15/50/61/494155061.db2.gz ZKOOZQHMIWXUNW-PLMTUMEDSA-N 1 0 359.466 3.351 40 0 FGABRO OCC[N@@H+]1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072358379 494157641 /nfs/dbraw/zinc/15/76/41/494157641.db2.gz VWQZEFACGNHEGO-AWEZNQCLSA-N 1 0 351.372 3.334 40 0 FGABRO COc1cc(C[N@@H+]2CCC[C@H](n3c4ccccc4oc3=O)C2)cc(OC)c1 ZINC000012119163 494206323 /nfs/dbraw/zinc/20/63/23/494206323.db2.gz IOFAJYXRMKMZSH-INIZCTEOSA-N 1 0 368.433 3.449 40 0 FGABRO CC(=O)N1Cc2ccccc2O[C@H]([C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000012135390 494206720 /nfs/dbraw/zinc/20/67/20/494206720.db2.gz KOQHNMOEEYUCJR-KNQAVFIVSA-N 1 0 365.477 3.103 40 0 FGABRO CC[NH+]1CCN(c2ncc(-c3onc(C)c3C)c(-c3ccco3)n2)CC1 ZINC000012186792 494212013 /nfs/dbraw/zinc/21/20/13/494212013.db2.gz OJHZSCZFAVQXLT-UHFFFAOYSA-N 1 0 353.426 3.150 40 0 FGABRO CC(C)c1nc2c(nnn2C[C@@H]2CCC[N@H+](Cc3ccsc3)C2)c(=O)[nH]1 ZINC000012220510 494214944 /nfs/dbraw/zinc/21/49/44/494214944.db2.gz KQFIEGIHAKPADE-CYBMUJFWSA-N 1 0 372.498 3.024 40 0 FGABRO Cc1cc(C)c2cc(C[NH2+]Cc3ccc(F)cc3)c3nn(C)c(=O)n3c2c1 ZINC000012325226 494224075 /nfs/dbraw/zinc/22/40/75/494224075.db2.gz UKNBVAFGIJEFEG-UHFFFAOYSA-N 1 0 364.424 3.232 40 0 FGABRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1csc(-c2ccccc2F)n1 ZINC000012362875 494226313 /nfs/dbraw/zinc/22/63/13/494226313.db2.gz IJHLHCXJCXRBJC-AWEZNQCLSA-N 1 0 361.486 3.482 40 0 FGABRO Cc1cccc(C2(O)CC[NH+](C[C@H](O)c3ccc4c(c3)C[C@@H](C)O4)CC2)c1 ZINC000012361306 494226725 /nfs/dbraw/zinc/22/67/25/494226725.db2.gz LOGIFICAZOISOG-UTKZUKDTSA-N 1 0 367.489 3.335 40 0 FGABRO Cc1cc(F)ccc1C[N@@H+]1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 ZINC000108525144 494729601 /nfs/dbraw/zinc/72/96/01/494729601.db2.gz HTQAZSAJFGTCKT-SFTDATJTSA-N 1 0 355.457 3.004 40 0 FGABRO O[C@H](COCc1ccccc1)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000027530887 494870956 /nfs/dbraw/zinc/87/09/56/494870956.db2.gz DHISJGRVBKTTED-NRFANRHFSA-N 1 0 374.912 3.035 40 0 FGABRO Cc1cc(S(=O)(=O)N2c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@@H]32)c(C)o1 ZINC000127443992 494945508 /nfs/dbraw/zinc/94/55/08/494945508.db2.gz AWXBJESYWMHIMD-WMZOPIPTSA-N 1 0 360.479 3.201 40 0 FGABRO Fc1cccnc1OC[C@]12CCCO[C@H]1CC[N@H+](Cc1cccnc1)C2 ZINC000096040473 494998317 /nfs/dbraw/zinc/99/83/17/494998317.db2.gz GNMIMNDKCIYYLN-AZUAARDMSA-N 1 0 357.429 3.066 40 0 FGABRO COc1ccc(C[N@@H+]2CCC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)cc1 ZINC000096048256 494999445 /nfs/dbraw/zinc/99/94/45/494999445.db2.gz NVMMFSJYEGPZKD-SFTDATJTSA-N 1 0 354.450 3.293 40 0 FGABRO OC1(COc2ccc(F)cc2)CC[NH+](Cc2ccc3[nH]cnc3c2)CC1 ZINC000257216892 497391872 /nfs/dbraw/zinc/39/18/72/497391872.db2.gz CWNVQFGSGALQMH-UHFFFAOYSA-N 1 0 355.413 3.108 40 0 FGABRO Fc1ccccc1C[N@@H+]1CCC[C@@H](Cc2cnc(-c3ncc[nH]3)cn2)C1 ZINC000257319884 497402272 /nfs/dbraw/zinc/40/22/72/497402272.db2.gz VULDZSNBYJEQOV-HNNXBMFYSA-N 1 0 351.429 3.461 40 0 FGABRO C[NH+]1CCC(n2ccc(=NC(=O)N3CCC[C@H]3c3ccsc3)[nH]2)CC1 ZINC000330208258 498061822 /nfs/dbraw/zinc/06/18/22/498061822.db2.gz GQIHUCJEASQOSC-INIZCTEOSA-N 1 0 359.499 3.002 40 0 FGABRO Cc1ccc(Cl)cc1Nc1cc(C2CC2)nc(NCCC[NH+](C)C)n1 ZINC000328989168 499007781 /nfs/dbraw/zinc/00/77/81/499007781.db2.gz IJMDTTPOLGKCQO-UHFFFAOYSA-N 1 0 359.905 3.267 40 0 FGABRO Cc1cccc(C[N@@H+]2CCOC[C@@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)c1 ZINC000585104772 507570390 /nfs/dbraw/zinc/57/03/90/507570390.db2.gz SYVLUUGAKWRDCG-QFIPXVFZSA-N 1 0 368.452 3.390 40 0 FGABRO O=C1C[C@]2(CN1Cc1ccccc1)COCC[N@@H+](Cc1cccc(F)c1)C2 ZINC000585104689 507571281 /nfs/dbraw/zinc/57/12/81/507571281.db2.gz RCVRNTWPXDVZIU-QFIPXVFZSA-N 1 0 368.452 3.077 40 0 FGABRO Cc1cc(N)cc([C@@H]2CN(C(=O)CCc3ccc(Cl)cc3)CCO2)[nH+]1 ZINC000257207257 533886903 /nfs/dbraw/zinc/88/69/03/533886903.db2.gz BHACINXDWYVONE-SFHVURJKSA-N 1 0 359.857 3.158 40 0 FGABRO CC(C)(C)OC(=O)N1CC(C[NH2+]Cc2ccccc2Br)C1 ZINC000090635722 518799364 /nfs/dbraw/zinc/79/93/64/518799364.db2.gz BMQYZOAIWQHYLJ-UHFFFAOYSA-N 1 0 355.276 3.406 40 0 FGABRO Fc1ccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4ccoc4)C2)OC3)cc1 ZINC000306128956 534453457 /nfs/dbraw/zinc/45/34/57/534453457.db2.gz HPFNFMALHMIIRN-FQEVSTJZSA-N 1 0 353.397 3.457 40 0 FGABRO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3ccsc3)C[C@H]2N1Cc1cccnc1 ZINC000306127808 534854226 /nfs/dbraw/zinc/85/42/26/534854226.db2.gz GICBLRYLTASSDI-RTBURBONSA-N 1 0 364.474 3.026 40 0 FGABRO COc1cccc(C=O)c1OCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000217793187 525864275 /nfs/dbraw/zinc/86/42/75/525864275.db2.gz NTQQNBUFCKMKLR-UHFFFAOYSA-N 1 0 368.477 3.489 40 0 FGABRO Brc1cccc(CNc2cc(C3CC3)[nH+]c(NC3CC3)n2)c1 ZINC000329064719 526645574 /nfs/dbraw/zinc/64/55/74/526645574.db2.gz XMQQABCPKVGQIF-UHFFFAOYSA-N 1 0 359.271 3.147 40 0 FGABRO CCOC[C@@H]1CC[N@H+](CC2CC2)C2(CN(C(=O)c3cc(C)oc3C)C2)C1 ZINC000306144535 528938695 /nfs/dbraw/zinc/93/86/95/528938695.db2.gz ZICKSACICDLPPF-GOSISDBHSA-N 1 0 360.498 3.250 40 0 FGABRO CC(C)Nc1nc(NCc2ccccc2Br)cc(C2CC2)[nH+]1 ZINC000329043628 529114260 /nfs/dbraw/zinc/11/42/60/529114260.db2.gz SSUXQWFNNAVRIC-UHFFFAOYSA-N 1 0 361.287 3.393 40 0 FGABRO CC1(C)NC(=[NH2+])NC(=N)N1c1cccc(CCCCc2cccc(N)c2)c1 ZINC000001701932 534961064 /nfs/dbraw/zinc/96/10/64/534961064.db2.gz WNZMAGKIGDUEIH-UHFFFAOYSA-N 1 0 364.497 3.020 40 0 FGABRO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC[C@H](O)C[NH+]1CCN(c3ccccc3)CC1)C2 ZINC000035052925 535036697 /nfs/dbraw/zinc/03/66/97/535036697.db2.gz DNWDZSPMGCTELQ-LPOZWGFCSA-N 1 0 372.553 3.401 40 0 FGABRO O=C(NCCOCc1ccccc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000224551379 222815607 /nfs/dbraw/zinc/81/56/07/222815607.db2.gz XYYJJXBEXAZGTB-UHFFFAOYSA-N 1 0 370.468 3.371 40 0 FGABRO Cc1c[nH]c(-c2cncc([C@@H]3CCC[N@H+](Cc4scnc4C)C3)n2)n1 ZINC000257221216 223026876 /nfs/dbraw/zinc/02/68/76/223026876.db2.gz DOAAOOCXFQYQSA-CQSZACIVSA-N 1 0 354.483 3.320 40 0 FGABRO Cc1noc(C)c1-c1cc(C[C@H]2CC[N@H+](Cc3ncccc3F)C2)ncn1 ZINC000257234079 223031282 /nfs/dbraw/zinc/03/12/82/223031282.db2.gz GRZPEQQJXNISLB-OAHLLOKOSA-N 1 0 367.428 3.347 40 0 FGABRO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(CNC(C)=O)n2)cc1 ZINC000257243004 223035122 /nfs/dbraw/zinc/03/51/22/223035122.db2.gz IFDVNOYVLYGVRJ-NRFANRHFSA-N 1 0 353.466 3.454 40 0 FGABRO Cc1noc(C)c1-c1cc(C2CC[NH+](C3CCOCC3)CC2)nc(C)n1 ZINC000257263023 223043043 /nfs/dbraw/zinc/04/30/43/223043043.db2.gz LOAPBGZKUVNIMS-UHFFFAOYSA-N 1 0 356.470 3.415 40 0 FGABRO Cc1noc(C)c1-c1cc(C[C@H]2CCC[N@H+](Cc3cnc[nH]3)CC2)ncn1 ZINC000257277674 223047872 /nfs/dbraw/zinc/04/78/72/223047872.db2.gz NYYBKTCPRBJZCA-INIZCTEOSA-N 1 0 366.469 3.316 40 0 FGABRO C[C@]12CC[N@H+](Cc3cccnc3)[C@H]1CCC(=O)N2Cc1ccccc1F ZINC000257299174 223056753 /nfs/dbraw/zinc/05/67/53/223056753.db2.gz RPAHETPXDCQPDH-FPOVZHCZSA-N 1 0 353.441 3.376 40 0 FGABRO O=C(c1ccn(C(F)F)n1)N1CC[C@@H]2[C@H](C1)CCCC[N@@H+]2CC1CC1 ZINC000257315472 223062775 /nfs/dbraw/zinc/06/27/75/223062775.db2.gz VBNLFGILKUSBIY-GOEBONIOSA-N 1 0 352.429 3.005 40 0 FGABRO COc1ccc(-c2cnc3n2C[C@@H]2C[N@@H+](Cc4cccnc4)C[C@@H]2C3)cc1 ZINC000306142754 223114652 /nfs/dbraw/zinc/11/46/52/223114652.db2.gz XIJXTRFPPCNVSN-OALUTQOASA-N 1 0 360.461 3.258 40 0 FGABRO C[NH+](C)CCNc1nc(Nc2cccc(Cl)c2Cl)cc(C2CC2)n1 ZINC000329007218 223128252 /nfs/dbraw/zinc/12/82/52/223128252.db2.gz LJDWOQOHCSUVHD-UHFFFAOYSA-N 1 0 366.296 3.222 40 0 FGABRO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1ccc(Cl)cc1 ZINC000013670580 220082166 /nfs/dbraw/zinc/08/21/66/220082166.db2.gz DCGWLWZRVJNHLP-QGZVFWFLSA-N 1 0 358.935 3.414 40 0 FGABRO COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCC[N@H+](Cc4ccncc4)[C@@H]32)cc1 ZINC000019019381 220233970 /nfs/dbraw/zinc/23/39/70/220233970.db2.gz XJSJMTBGWRRSES-YPAWHYETSA-N 1 0 365.477 3.069 40 0 FGABRO COc1ccc(CN2Cc3cc(C)ccc3OC[C@H]2C[NH+](C)C)cc1OC ZINC000019219371 220240740 /nfs/dbraw/zinc/24/07/40/220240740.db2.gz NWJVWYQYNGWAJP-LJQANCHMSA-N 1 0 370.493 3.337 40 0 FGABRO Cc1ccc([C@@]2(O)CC[C@@H]3C[N@H+](Cc4ccccc4-n4cccn4)C[C@@H]32)nc1 ZINC000019216154 220242097 /nfs/dbraw/zinc/24/20/97/220242097.db2.gz XLYFXSZTIUVICL-QMHWCDLVSA-N 1 0 374.488 3.305 40 0 FGABRO Clc1cccc(CN2CCc3nc([C@H]4CC[NH2+]C4)ncc3C2)c1Cl ZINC000019292621 220246626 /nfs/dbraw/zinc/24/66/26/220246626.db2.gz UOQARPORGBLUKR-LBPRGKRZSA-N 1 0 363.292 3.419 40 0 FGABRO O=C([C@@H]1CCCCO1)N1C[C@@H](c2cccc(F)c2)[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019294285 220250337 /nfs/dbraw/zinc/25/03/37/220250337.db2.gz SGJDFGADRAWTRA-YRPNKDGESA-N 1 0 360.473 3.221 40 0 FGABRO NC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CC[N@H+](Cc2cccnc2)C1 ZINC000019348479 220250920 /nfs/dbraw/zinc/25/09/20/220250920.db2.gz APNRVLOBICSDOG-HSZRJFAPSA-N 1 0 372.472 3.064 40 0 FGABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1ccc(F)cc1 ZINC000019374905 220255754 /nfs/dbraw/zinc/25/57/54/220255754.db2.gz VSBHTGOEVXWQNB-OALUTQOASA-N 1 0 357.425 3.210 40 0 FGABRO O=C(COc1ccccn1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000019402227 220255912 /nfs/dbraw/zinc/25/59/12/220255912.db2.gz UUHKWXJMMQMSIS-UHFFFAOYSA-N 1 0 353.466 3.153 40 0 FGABRO CC(C)Oc1cccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3N2CCOCC2)c1 ZINC000019450809 220258471 /nfs/dbraw/zinc/25/84/71/220258471.db2.gz JLWWLSRXSIZWOZ-RLAPIPATSA-N 1 0 358.526 3.407 40 0 FGABRO CCCOc1ccccc1C[N@@H+]1CC[C@H](c2nnc(-c3cnccn3)o2)C1 ZINC000019525160 220265746 /nfs/dbraw/zinc/26/57/46/220265746.db2.gz MEFMTJAGUGKYRE-INIZCTEOSA-N 1 0 365.437 3.305 40 0 FGABRO CCOc1ccc(C[NH+]2CCC3(CC2)Nc2ccccc2C(=O)N3)cc1 ZINC000019533215 220268439 /nfs/dbraw/zinc/26/84/39/220268439.db2.gz PWMQIMCZUIMPHS-UHFFFAOYSA-N 1 0 351.450 3.233 40 0 FGABRO COc1ccc2c(c1)C[C@H](C(=O)NC1(C[NH+]3CCCC3)CCCCC1)CO2 ZINC000019562436 220272917 /nfs/dbraw/zinc/27/29/17/220272917.db2.gz LHMMDVCLZZQGCB-SFHVURJKSA-N 1 0 372.509 3.161 40 0 FGABRO CNc1nc(C)c(C(=O)N2CCCC[C@H]2C[NH+]2CCCCCC2)s1 ZINC000019560890 220273358 /nfs/dbraw/zinc/27/33/58/220273358.db2.gz ABQDTQVKBKPYFY-HNNXBMFYSA-N 1 0 350.532 3.364 40 0 FGABRO Cc1cc(C)c(-n2cccn2)c(CN(CC[NH+](C)C)Cc2ccccn2)c1 ZINC000019566874 220273165 /nfs/dbraw/zinc/27/31/65/220273165.db2.gz WWGROQLLZORRLM-UHFFFAOYSA-N 1 0 363.509 3.448 40 0 FGABRO C[C@@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000019575276 220276839 /nfs/dbraw/zinc/27/68/39/220276839.db2.gz OTXJAWDMHUKOCI-RBSFLKMASA-N 1 0 369.490 3.196 40 0 FGABRO CC[NH+](CC)C1CCN(C(=O)c2cc3cccc(OC)c3nc2C)CC1 ZINC000019715220 220288770 /nfs/dbraw/zinc/28/87/70/220288770.db2.gz ZNZXBJUMAQEROX-UHFFFAOYSA-N 1 0 355.482 3.498 40 0 FGABRO COc1ccc([C@H](C)[NH2+]CC(=O)NC[C@@H](C)c2ccccc2)cc1OC ZINC000041105114 220929035 /nfs/dbraw/zinc/92/90/35/220929035.db2.gz MBZMUGXRTFJWEK-CVEARBPZSA-N 1 0 356.466 3.274 40 0 FGABRO Fc1cccc(-c2cnc3c(N4CC[NH+](CC5CC5)CC4)nccn23)c1 ZINC000306130993 132301279 /nfs/dbraw/zinc/30/12/79/132301279.db2.gz JUEBSGLMTOWWTB-UHFFFAOYSA-N 1 0 351.429 3.067 40 0 FGABRO CC(C)c1cc(N2Cc3ccccc3CC2(C)C)nc(NCC[NH+](C)C)n1 ZINC000329031343 132372866 /nfs/dbraw/zinc/37/28/66/132372866.db2.gz QISWLCAUFLWUCJ-UHFFFAOYSA-N 1 0 367.541 3.337 40 0 FGABRO FC1(F)CC[N@H+](Cc2ccsc2)C[C@]12CCN(c1cnccn1)C2 ZINC000096051178 222001555 /nfs/dbraw/zinc/00/15/55/222001555.db2.gz PZSSBDZPZOESJT-INIZCTEOSA-N 1 0 350.438 3.276 40 0 FGABRO CCOC(=O)[C@@]12C[N@@H+](C(C)C)C[C@@H]1CN(Cc1ccsc1)CCC2 ZINC000096055901 222005301 /nfs/dbraw/zinc/00/53/01/222005301.db2.gz NKUFPJREDRTUOO-HKUYNNGSSA-N 1 0 350.528 3.234 40 0 FGABRO c1coc(C[N@@H+]2C[C@H]3CN([C@@H]4CCOC4)CC[C@]3(c3ccccc3)C2)c1 ZINC000096083305 222017317 /nfs/dbraw/zinc/01/73/17/222017317.db2.gz JYWYAYBTUYRDFJ-TUNNFDKTSA-N 1 0 352.478 3.144 40 0 FGABRO C[NH+]1CCN(c2ccc3ccc(C(=O)Nc4ccccc4F)cn32)CC1 ZINC000096267345 222106758 /nfs/dbraw/zinc/10/67/58/222106758.db2.gz UFBMHOVDEGKJRH-UHFFFAOYSA-N 1 0 352.413 3.083 40 0 FGABRO CC(C)[C@H](C)NC(=O)c1ncn2c1nccc2C1CC[NH+](CC2CC2)CC1 ZINC000096267217 222107657 /nfs/dbraw/zinc/10/76/57/222107657.db2.gz WSAOBUZMKONVIK-HNNXBMFYSA-N 1 0 369.513 3.093 40 0 FGABRO O=C(c1cscn1)N1CCC2(CC1)CC[NH+](Cc1cccnc1)CC2 ZINC000096158434 222058237 /nfs/dbraw/zinc/05/82/37/222058237.db2.gz GARCGUJSCASBQY-UHFFFAOYSA-N 1 0 356.495 3.057 40 0 FGABRO CC[N@@H+]1C[C@@H](COCc2cccnc2)[C@]2(CCN(Cc3ccco3)C2)C1 ZINC000096219357 222083591 /nfs/dbraw/zinc/08/35/91/222083591.db2.gz KBRHUKUDLUJCIW-PZJWPPBQSA-N 1 0 355.482 3.035 40 0 FGABRO CC(C)[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)C1 ZINC000096228741 222089605 /nfs/dbraw/zinc/08/96/05/222089605.db2.gz VQPFWFQWFVMVSF-NRFANRHFSA-N 1 0 355.482 3.131 40 0 FGABRO COc1cccc(CN2CCN(C(=O)[C@H](OC)c3ccccc3)[C@@H](C)C2)c1 ZINC000019575566 263374204 /nfs/dbraw/zinc/37/42/04/263374204.db2.gz KPXZAACUKXDTNO-LAUBAEHRSA-N 1 0 368.477 3.116 40 0 FGABRO CC(C)C(=[NH2+])N[C@H](NC(=O)c1ccc(F)cc1)C(Cl)(Cl)Cl ZINC000003109676 493831535 /nfs/dbraw/zinc/83/15/35/493831535.db2.gz YFBJGKPCQRRASC-GFCCVEGCSA-N 1 0 354.640 3.475 40 0 FGABRO CNC(=O)c1ccc(Oc2ccc3c(c2)CC[N@H+](C2CCC2)CC3)nc1 ZINC000003961799 493860764 /nfs/dbraw/zinc/86/07/64/493860764.db2.gz WROHEWWOCPRMIA-UHFFFAOYSA-N 1 0 351.450 3.187 40 0 in-man FGABRO COc1ccc(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1OC ZINC000030865332 493910995 /nfs/dbraw/zinc/91/09/95/493910995.db2.gz DIUNAMHHKCYCSO-UHFFFAOYSA-N 1 0 354.450 3.230 40 0 FGABRO Clc1ccc2c(c1)NC1(CC[NH+](Cc3ccncc3)CC1)N1CCN=C21 ZINC000072327119 494152873 /nfs/dbraw/zinc/15/28/73/494152873.db2.gz OEZZVNOZJGFSDQ-UHFFFAOYSA-N 1 0 367.884 3.215 40 0 FGABRO Cc1cc(C[N@@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)c(C)s1 ZINC000072339866 494153271 /nfs/dbraw/zinc/15/32/71/494153271.db2.gz JEOSKPDXZQPTMT-UHFFFAOYSA-N 1 0 352.463 3.481 40 0 FGABRO Cc1cccc(Cc2cccc([C@H]3CCC[N@@H+](CC(=O)N(C)C)C3)n2)c1 ZINC000072349520 494156478 /nfs/dbraw/zinc/15/64/78/494156478.db2.gz DKCKQUYQGJFPHY-IBGZPJMESA-N 1 0 351.494 3.248 40 0 FGABRO CN(C)C(=O)C[N@@H+]1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072358877 494157169 /nfs/dbraw/zinc/15/71/69/494157169.db2.gz ZIGYRCIEHFJUDH-HNNXBMFYSA-N 1 0 358.873 3.065 40 0 FGABRO [NH3+]C1(C(=O)N2CCC(c3cccc(Br)n3)CC2)CCCCC1 ZINC000072360857 494158233 /nfs/dbraw/zinc/15/82/33/494158233.db2.gz DIHHTFSGKIYJKD-UHFFFAOYSA-N 1 0 366.303 3.212 40 0 FGABRO C[NH+](C)[C@@H](CNC(=O)Cn1ccc2ccc(F)cc21)c1ccc(F)cc1 ZINC000012148447 494209495 /nfs/dbraw/zinc/20/94/95/494209495.db2.gz DBFKOBNJZTXDQK-IBGZPJMESA-N 1 0 357.404 3.339 40 0 FGABRO COc1cc(C[NH+]2CCC(c3[nH]nc4ncccc43)CC2)cc(OC)c1 ZINC000012221373 494215126 /nfs/dbraw/zinc/21/51/26/494215126.db2.gz DJSNWLUIFVVOBE-UHFFFAOYSA-N 1 0 352.438 3.355 40 0 FGABRO Cc1cc(-c2cnc(N3CC[N@@H+]4CCC[C@@H]4C3)nc2-c2ccoc2C)on1 ZINC000012251524 494217265 /nfs/dbraw/zinc/21/72/65/494217265.db2.gz ONCNAOXJHBGGMA-OAHLLOKOSA-N 1 0 365.437 3.293 40 0 FGABRO COc1ccccc1C1(O)CC[NH+](C[C@H](O)c2ccc(C)c(C)c2)CC1 ZINC000012292207 494219239 /nfs/dbraw/zinc/21/92/39/494219239.db2.gz IULXBGUFJGFAAB-FQEVSTJZSA-N 1 0 355.478 3.329 40 0 FGABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1cc(F)ccc1O2)c1ccccc1 ZINC000012329261 494225649 /nfs/dbraw/zinc/22/56/49/494225649.db2.gz XFDAIEMYKLXDJO-MOPGFXCFSA-N 1 0 357.425 3.210 40 0 FGABRO O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCCCC1)Nc1ccsc1 ZINC000012602477 494246451 /nfs/dbraw/zinc/24/64/51/494246451.db2.gz WTRXSGKWQSGMQB-XYJFISCASA-N 1 0 362.543 3.066 40 0 biogenic,in-vitro FGABRO CCCn1ncc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2Cc2ccccc2)c1C ZINC000043568713 494305583 /nfs/dbraw/zinc/30/55/83/494305583.db2.gz GNRKDDUBLFBBEB-VXKWHMMOSA-N 1 0 352.526 3.493 40 0 FGABRO COc1ccccc1O[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044873106 494385093 /nfs/dbraw/zinc/38/50/93/494385093.db2.gz YPXJPJJRLWCMEL-KRWDZBQOSA-N 1 0 368.477 3.375 40 0 FGABRO Cc1c(NC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(=O)n(-c2ccccc2)n1C ZINC000017610819 494415203 /nfs/dbraw/zinc/41/52/03/494415203.db2.gz ZFDYZXJCXKXKIW-HKUYNNGSSA-N 1 0 354.498 3.161 40 0 FGABRO COc1ccccc1N1CC[NH+](C[C@H](O)c2cn(C)c3ccccc23)CC1 ZINC000019290391 494440707 /nfs/dbraw/zinc/44/07/07/494440707.db2.gz UNZPBZBQTVMPHY-NRFANRHFSA-N 1 0 365.477 3.043 40 0 FGABRO CC[N@H+](C)[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)C2(C1)CCCCC2 ZINC000019704919 494455100 /nfs/dbraw/zinc/45/51/00/494455100.db2.gz DJUIPWZGTUVHCG-MRXNPFEDSA-N 1 0 354.491 3.243 40 0 FGABRO CC(C)Oc1ccc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC000107685964 494584058 /nfs/dbraw/zinc/58/40/58/494584058.db2.gz JTYYYILKPRFUGT-UHFFFAOYSA-N 1 0 353.466 3.478 40 0 FGABRO c1coc(C[NH+]2CCC(c3nc4ccc(N5CCCC5)cn4n3)CC2)c1 ZINC000096038264 494997578 /nfs/dbraw/zinc/99/75/78/494997578.db2.gz MLFOJQDGOAMWFM-UHFFFAOYSA-N 1 0 351.454 3.302 40 0 FGABRO Cc1cncc(COCC[C@@H]2CCOC3(C[NH+](CC4CCOCC4)C3)C2)c1 ZINC000247854060 496921210 /nfs/dbraw/zinc/92/12/10/496921210.db2.gz WVIBOBMWCNIESR-LJQANCHMSA-N 1 0 374.525 3.204 40 0 FGABRO Cc1ccsc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCC[NH+](C)C ZINC000223210830 497033541 /nfs/dbraw/zinc/03/35/41/497033541.db2.gz PPLYKAGJGPYXLS-HZPDHXFCSA-N 1 0 360.552 3.376 40 0 FGABRO Cc1ncsc1C[NH+]1CCC(c2nc(C)cc(-c3nccn3C)n2)CC1 ZINC000257319937 497402194 /nfs/dbraw/zinc/40/21/94/497402194.db2.gz VURBVGRDTCJFSV-UHFFFAOYSA-N 1 0 368.510 3.330 40 0 FGABRO c1ccc(C[N@H+]2C[C@H]3CN(c4ccc(-c5ccccn5)nn4)C[C@H]3C2)cc1 ZINC000409430443 499596314 /nfs/dbraw/zinc/59/63/14/499596314.db2.gz VOGYHLIKGCYEQY-KDURUIRLSA-N 1 0 357.461 3.107 40 0 FGABRO C[NH+](C)CC[C@H]1Cn2cccc2CN(C(=O)c2cc3ccccc3o2)C1 ZINC000585095303 507566670 /nfs/dbraw/zinc/56/66/70/507566670.db2.gz OMSYOHJPONGJOT-INIZCTEOSA-N 1 0 351.450 3.458 40 0 FGABRO COc1cccc(C[NH+]2CC3(C2)C[C@H](OCc2cccnc2)CS3)c1 ZINC000585105469 507572631 /nfs/dbraw/zinc/57/26/31/507572631.db2.gz XCUMYASCOYZSBP-IBGZPJMESA-N 1 0 356.491 3.367 40 0 FGABRO Cn1nccc1C(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000585109698 507574898 /nfs/dbraw/zinc/57/48/98/507574898.db2.gz IZQDRRNGTZHOBK-JAXLGGSGSA-N 1 0 372.472 3.120 40 0 FGABRO CC(C)[N@H+](C)CC(=O)N1CC[C@@H](OCC2CC2)[C@H](Cc2ccccc2)C1 ZINC000585113516 507576473 /nfs/dbraw/zinc/57/64/73/507576473.db2.gz WSQDILVRKISXMI-NHCUHLMSSA-N 1 0 358.526 3.213 40 0 FGABRO CC(=O)N[C@H]1CCC[N@@H+](Cc2ccnn2C(C)C)[C@H]1Cc1ccccc1 ZINC000585269285 507582497 /nfs/dbraw/zinc/58/24/97/507582497.db2.gz OHDZZGFDNSNWSB-SFTDATJTSA-N 1 0 354.498 3.176 40 0 FGABRO COc1cccc(CC[NH2+][C@H]2CCC[C@@H](Oc3cccc(C)c3)[C@@H]2O)c1 ZINC000585289378 507585977 /nfs/dbraw/zinc/58/59/77/507585977.db2.gz QKXIEBMXMMRDFR-BHDDXSALSA-N 1 0 355.478 3.497 40 0 FGABRO c1cncc(-c2ccc3nc([C@H]4CC[N@@H+](Cc5ccncc5)C4)nn3c2)c1 ZINC000306134835 534504806 /nfs/dbraw/zinc/50/48/06/534504806.db2.gz NZJWUXJZYWXFAX-IBGZPJMESA-N 1 0 356.433 3.176 40 0 FGABRO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000095532904 535095873 /nfs/dbraw/zinc/09/58/73/535095873.db2.gz MEQDLZDIBGJZGI-BWKHYTDRSA-N 1 0 372.553 3.401 40 0 FGABRO CC[C@@H]([NH3+])C(=O)N1CC[C@@H]2O[C@@H]3c4ccc(C)cc4OC(C)(C)[C@H]3C[C@@H]2C1 ZINC000257261812 529555997 /nfs/dbraw/zinc/55/59/97/529555997.db2.gz LIXGHPSCZJRZKW-LZRWSTQFSA-N 1 0 372.509 3.198 40 0 FGABRO CO[C@@H]1CCCOC12CC[NH+](Cc1cnc(-c3ccccc3)nc1)CC2 ZINC000257308783 223060531 /nfs/dbraw/zinc/06/05/31/223060531.db2.gz TYBYRSYPUCIICC-LJQANCHMSA-N 1 0 353.466 3.304 40 0 FGABRO Cc1cc(C)nc(Nc2cc(C3CC[NH+]([C@H]4CCOC4)CC3)ccn2)n1 ZINC000257311398 223062220 /nfs/dbraw/zinc/06/22/20/223062220.db2.gz UJGPNXVTOJGPSJ-SFHVURJKSA-N 1 0 353.470 3.200 40 0 FGABRO C[C@@]12C[C@H]3[C@@H](Cc4ccccc4)[NH2+][C@@H]1CCC[C@@H]2N3C(=O)c1ccccn1 ZINC000257328274 223067326 /nfs/dbraw/zinc/06/73/26/223067326.db2.gz XEYLMBLEDLJNMD-HVJVJISESA-N 1 0 361.489 3.438 40 0 FGABRO Cc1c[nH]c(-c2cnc(CC3CC[NH+](Cc4cncs4)CC3)cn2)n1 ZINC000257336283 223070585 /nfs/dbraw/zinc/07/05/85/223070585.db2.gz YNTUBMPIVOCAPW-UHFFFAOYSA-N 1 0 354.483 3.086 40 0 FGABRO CN(C)C(=O)c1sc2ncccc2c1[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000257338852 223071993 /nfs/dbraw/zinc/07/19/93/223071993.db2.gz YZEKWDMFBCKMSO-HNNXBMFYSA-N 1 0 373.522 3.214 40 0 FGABRO c1cc(C[N@@H+]2CC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)ccn1 ZINC000306128784 223109227 /nfs/dbraw/zinc/10/92/27/223109227.db2.gz HKGSRXPVUUJLOE-LJQANCHMSA-N 1 0 356.433 3.176 40 0 FGABRO c1ccc(CN2C[C@@]3(CC[N@H+](Cc4ccccn4)C3)c3ncccc32)nc1 ZINC000306140329 223113287 /nfs/dbraw/zinc/11/32/87/223113287.db2.gz UQAOFNYCKQFLOY-QFIPXVFZSA-N 1 0 357.461 3.036 40 0 FGABRO Cc1ccc(Nc2cc(C3CC3)nc(NCCC[NH+](C)C)n2)cc1Cl ZINC000329046121 223131348 /nfs/dbraw/zinc/13/13/48/223131348.db2.gz UAHMGUAIAMUZMY-UHFFFAOYSA-N 1 0 359.905 3.267 40 0 FGABRO CC(C)(C)c1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)NCc2ccccc2)no1 ZINC000015673244 220158675 /nfs/dbraw/zinc/15/86/75/220158675.db2.gz NEBURODJFKNRGH-ROUUACIJSA-N 1 0 369.509 3.447 40 0 biogenic,in-vitro FGABRO Cc1ccc([C@@H](C)C(=O)N2CCCC[C@@H]2c2ncc3c(n2)CC[NH2+]C3)cc1 ZINC000019136100 220238395 /nfs/dbraw/zinc/23/83/95/220238395.db2.gz WLSUASXLJKKMGQ-OXQOHEQNSA-N 1 0 364.493 3.288 40 0 FGABRO Cc1cccc(C[N@@H+]2C[C@@H](c3cc(F)ccc3F)[C@]3(C2)CCCC(=O)N3)n1 ZINC000019236333 220242509 /nfs/dbraw/zinc/24/25/09/220242509.db2.gz AXFAYGSGNOLDIW-GHTZIAJQSA-N 1 0 371.431 3.307 40 0 FGABRO Cc1cnc(-c2nnc([C@H]3CC[N@H+](Cc4ccc(F)c(F)c4)C3)o2)cn1 ZINC000019239173 220244011 /nfs/dbraw/zinc/24/40/11/220244011.db2.gz YOHHGFGKWPEJQC-ZDUSSCGKSA-N 1 0 357.364 3.103 40 0 FGABRO NC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CC[N@H+](Cc2ccccn2)C1 ZINC000019348475 220251090 /nfs/dbraw/zinc/25/10/90/220251090.db2.gz SXFYWJASYVIFAB-HSZRJFAPSA-N 1 0 372.472 3.064 40 0 FGABRO OCC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(OCc2ccccc2)c1 ZINC000019372719 220253345 /nfs/dbraw/zinc/25/33/45/220253345.db2.gz GAGPURKYKQUPBC-YADHBBJMSA-N 1 0 366.505 3.297 40 0 FGABRO O=C(Cc1ccccn1)N1C[C@@H](c2cccc(F)c2)[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019401255 220255772 /nfs/dbraw/zinc/25/57/72/220255772.db2.gz LBSJBGLMWKAODN-VWPQPMDRSA-N 1 0 367.468 3.290 40 0 FGABRO Fc1ccc(OCC[NH2+]Cc2cc(-c3ccccc3)cn3nnnc23)cc1 ZINC000019374026 220256276 /nfs/dbraw/zinc/25/62/76/220256276.db2.gz GHDIJKAXEVKRQV-UHFFFAOYSA-N 1 0 363.396 3.099 40 0 FGABRO CCCNC(=O)c1cc([C@@H]2CCC[N@H+](Cc3ccccc3OC)C2)no1 ZINC000019503714 220265558 /nfs/dbraw/zinc/26/55/58/220265558.db2.gz RPLXQIVLTUTOSB-OAHLLOKOSA-N 1 0 357.454 3.203 40 0 FGABRO COc1cc(C(=O)Nc2cccc(C[NH+]3CCCCCC3)c2)nc(OC)n1 ZINC000019550361 220270891 /nfs/dbraw/zinc/27/08/91/220270891.db2.gz PEXXOGHRHYUSRG-UHFFFAOYSA-N 1 0 370.453 3.122 40 0 FGABRO Cc1nn(C[C@H](C)C(=O)N2CCCC[C@H]2CC[NH+]2CCCC2)c(C)c1C ZINC000019556824 220271401 /nfs/dbraw/zinc/27/14/01/220271401.db2.gz JYCSUODBPKWDQD-JXFKEZNVSA-N 1 0 360.546 3.311 40 0 FGABRO COc1cccc([C@H]2CN(C(=O)c3sc(C)nc3C)[C@@H]3CCC[NH2+][C@@H]32)c1 ZINC000019560164 220271767 /nfs/dbraw/zinc/27/17/67/220271767.db2.gz BMSOCWOXHFKMEW-KZNAEPCWSA-N 1 0 371.506 3.129 40 0 FGABRO COc1ccccc1C(=O)N1C[C@@H]2CC[C@H](CC1=O)[N@@H+]2Cc1ccccc1 ZINC000019568574 220274612 /nfs/dbraw/zinc/27/46/12/220274612.db2.gz PXURSLVMHIZNTH-MSOLQXFVSA-N 1 0 364.445 3.101 40 0 FGABRO COc1ccccc1C(=O)N1CCC[C@H]2[NH2+]C[C@H](c3ccc(F)cc3)[C@H]21 ZINC000019568746 220274224 /nfs/dbraw/zinc/27/42/24/220274224.db2.gz TVVWSULYWHGKFH-QWFCFKBJSA-N 1 0 354.425 3.195 40 0 FGABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000019575926 220275168 /nfs/dbraw/zinc/27/51/68/220275168.db2.gz ZIENODVQWPXTOT-AEGPPILISA-N 1 0 364.848 3.378 40 0 FGABRO COc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1Cn1nc(C)cc1C ZINC000019574398 220276525 /nfs/dbraw/zinc/27/65/25/220276525.db2.gz JRNXFJBOBMAFPX-RXVVDRJESA-N 1 0 368.525 3.225 40 0 FGABRO Cc1c([C@@H](C)NC(=O)c2cccc(Nc3cc(C)nc(C)n3)c2)cnn1C ZINC000019662099 220284239 /nfs/dbraw/zinc/28/42/39/220284239.db2.gz PFKVRVFYGBLNGW-CYBMUJFWSA-N 1 0 364.453 3.370 40 0 FGABRO COCC[N@@H+]1CC[C@@H](c2ncc(C(=O)Nc3ccc(Cl)cc3)c(C)n2)C1 ZINC000019753144 220293367 /nfs/dbraw/zinc/29/33/67/220293367.db2.gz AXEIGCIWLMXHPX-CQSZACIVSA-N 1 0 374.872 3.126 40 0 FGABRO CC1(C)Cc2cc(C[N@@H+]3CC[C@@H](C(=O)Nc4ccccn4)C3)ccc2O1 ZINC000019747787 220294141 /nfs/dbraw/zinc/29/41/41/220294141.db2.gz XSSCQCHYQMFWOW-MRXNPFEDSA-N 1 0 351.450 3.256 40 0 FGABRO CCc1ccc2[nH]c(=O)c([C@H]3[NH2+]CCc4cc(OC)c(OC)cc43)cc2c1 ZINC000035316191 220778583 /nfs/dbraw/zinc/77/85/83/220778583.db2.gz ZHVZIXDYCXOHTB-NRFANRHFSA-N 1 0 364.445 3.343 40 0 FGABRO COc1ccc(S[C@H](C)C(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000048270669 221004013 /nfs/dbraw/zinc/00/40/13/221004013.db2.gz OCJYVTHWAUCTEZ-MRXNPFEDSA-N 1 0 350.528 3.414 40 0 FGABRO c1ccc(Cc2nnc([C@H]3CC[N@@H+](Cc4ccc5c(c4)OCO5)C3)o2)cc1 ZINC000049169847 221021063 /nfs/dbraw/zinc/02/10/63/221021063.db2.gz ZLQAGTPDYZREIU-KRWDZBQOSA-N 1 0 363.417 3.379 40 0 biogenic,in-vitro FGABRO CCc1cc(N2CCc3cc(OC)c(OC)cc3C2)nc(NC2CC2)[nH+]1 ZINC000329018013 132372624 /nfs/dbraw/zinc/37/26/24/132372624.db2.gz NOWRWALFHXNHFL-UHFFFAOYSA-N 1 0 354.454 3.193 40 0 FGABRO CNc1nc(N2CCc3cc(Br)ccc3C2)cc(C(C)C)[nH+]1 ZINC000329029086 132372741 /nfs/dbraw/zinc/37/27/41/132372741.db2.gz PXDPXMJJXIOOEU-UHFFFAOYSA-N 1 0 361.287 3.389 40 0 FGABRO C[NH+]1CCN(c2cc(NC(=O)c3ccc(F)cc3)c(Cl)cc2N)CC1 ZINC000072229309 136143953 /nfs/dbraw/zinc/14/39/53/136143953.db2.gz QWUIVWAEKPRIBJ-UHFFFAOYSA-N 1 0 362.836 3.065 40 0 FGABRO COCCN1c2ccccc2C2(CC[NH+](Cc3ccc(C)o3)CC2)C1=O ZINC000096052510 222003905 /nfs/dbraw/zinc/00/39/05/222003905.db2.gz ZHXZENYRAJFKJU-UHFFFAOYSA-N 1 0 354.450 3.115 40 0 FGABRO COc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2cccc(C)n2)cc1 ZINC000096056638 222005706 /nfs/dbraw/zinc/00/57/06/222005706.db2.gz YAMVPMINLJYFRJ-NHCUHLMSSA-N 1 0 365.477 3.164 40 0 FGABRO CN(C)C(=O)[C@H]1OC2(CC[NH+](Cc3cccs3)CC2)c2ccccc21 ZINC000096058365 222007274 /nfs/dbraw/zinc/00/72/74/222007274.db2.gz UDNZOQDLVUJPNZ-SFHVURJKSA-N 1 0 356.491 3.399 40 0 FGABRO CCS(=O)(=O)N1CCC[C@]2(CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000096071282 222012831 /nfs/dbraw/zinc/01/28/31/222012831.db2.gz HUCQJSKNIBZYOF-QGZVFWFLSA-N 1 0 356.919 3.120 40 0 FGABRO Cc1ccc(C[N@@H+]2CCOC3(CCN(C(=O)C4CC=CC4)CC3)C2)cc1 ZINC000096158891 222058024 /nfs/dbraw/zinc/05/80/24/222058024.db2.gz LTDAFSMKVSDKIC-UHFFFAOYSA-N 1 0 354.494 3.155 40 0 FGABRO Cc1noc(C)c1C[N@@H+]1CCC2(C1)CCN(C(=O)c1ccsc1)CC2 ZINC000096157638 222058151 /nfs/dbraw/zinc/05/81/51/222058151.db2.gz YSVCJVLSVSANPX-UHFFFAOYSA-N 1 0 359.495 3.481 40 0 FGABRO C[N@H+](Cc1ccccn1)C1CC2(C1)CCN(C(=O)c1cscn1)CC2 ZINC000096159268 222058809 /nfs/dbraw/zinc/05/88/09/222058809.db2.gz ITIHQISWWLTUNA-UHFFFAOYSA-N 1 0 356.495 3.055 40 0 FGABRO COC[C@@H]1CCC2(CCN(C(=O)c3cccc(C)c3)CC2)[N@@H+]1CC1CC1 ZINC000096208688 222078141 /nfs/dbraw/zinc/07/81/41/222078141.db2.gz NCTKKWDERZJAJI-FQEVSTJZSA-N 1 0 356.510 3.491 40 0 FGABRO Fc1ccccc1C[N@@H+]1CC[C@H]2OCC[C@@]2(CCNc2ncccn2)C1 ZINC000096208473 222078800 /nfs/dbraw/zinc/07/88/00/222078800.db2.gz NUSWKANLKLJMNP-QUCCMNQESA-N 1 0 356.445 3.099 40 0 FGABRO c1cc(CN2CC[C@]3(C2)CCC[N@@H+](CC2CCOCC2)C3)cc2c1OCO2 ZINC000096215384 222079930 /nfs/dbraw/zinc/07/99/30/222079930.db2.gz NQYICAJOUNIOJP-JOCHJYFZSA-N 1 0 372.509 3.130 40 0 FGABRO O=C(N[C@H]1COCCC12CC[NH+](Cc1ccoc1)CC2)c1ccccc1 ZINC000096209860 222080411 /nfs/dbraw/zinc/08/04/11/222080411.db2.gz NZOIZDMKXAGJRY-IBGZPJMESA-N 1 0 354.450 3.081 40 0 FGABRO c1ccc(CC[N@@H+]2CCC[C@]3(C[C@@H](OCC4CCOCC4)CO3)C2)cc1 ZINC000096217696 222082397 /nfs/dbraw/zinc/08/23/97/222082397.db2.gz QYEZXPLUNFGQSO-YADHBBJMSA-N 1 0 359.510 3.296 40 0 FGABRO Cc1cccc(CN2CC[C@@]3(CCC[N@H+](Cc4ccsc4)C3)C2=O)n1 ZINC000096224713 222086846 /nfs/dbraw/zinc/08/68/46/222086846.db2.gz RFMNQDJSOCETHK-HXUWFJFHSA-N 1 0 355.507 3.466 40 0 FGABRO C[NH2+]Cc1cc([C@H]2CC[C@H](CN(C)C(=O)C[C@@H]3C=CCC3)CC2)nn1C ZINC000100687616 222249384 /nfs/dbraw/zinc/24/93/84/222249384.db2.gz XYKYWDWTDGVVSZ-KURKYZTESA-N 1 0 358.530 3.228 40 0 FGABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000010544108 263366276 /nfs/dbraw/zinc/36/62/76/263366276.db2.gz BZMMVTJDAWGHQE-GASCZTMLSA-N 1 0 358.935 3.127 40 0 FGABRO CC1(C)[C@H](OC[C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)[C@]2(C)CC[C@H]1C2 ZINC000033534406 494061028 /nfs/dbraw/zinc/06/10/28/494061028.db2.gz MEQDLZDIBGJZGI-XHRGMSINSA-N 1 0 372.553 3.401 40 0 FGABRO COc1cc2c(cc1OC)[C@@H](c1cc3ccc(C)c(C)c3[nH]c1=O)[NH2+]CC2 ZINC000035316167 494075259 /nfs/dbraw/zinc/07/52/59/494075259.db2.gz GKOXMIWLCAMOOP-NRFANRHFSA-N 1 0 364.445 3.397 40 0 FGABRO CN1CCC([N@H+](CCO)CC2(c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000036743643 494097837 /nfs/dbraw/zinc/09/78/37/494097837.db2.gz SDBFYLFXSWCFSB-UHFFFAOYSA-N 1 0 357.325 3.414 40 0 FGABRO C[NH+]1CCN(c2ccc([C@H]3CCCCN3C(=O)OC(C)(C)C)cn2)CC1 ZINC000072216550 494145364 /nfs/dbraw/zinc/14/53/64/494145364.db2.gz OCWNKNIIIMCCRB-QGZVFWFLSA-N 1 0 360.502 3.296 40 0 FGABRO O=C1N[C@]2(COC3(C2)CC[NH+](Cc2cccs2)CC3)Nc2ccccc21 ZINC000072325389 494152000 /nfs/dbraw/zinc/15/20/00/494152000.db2.gz AEHFEAKLJOLDOS-HXUWFJFHSA-N 1 0 369.490 3.055 40 0 FGABRO Cc1cccc(Nc2cncc([C@H]3CCC[N@@H+](C4CCOCC4)C3)n2)n1 ZINC000072354357 494155794 /nfs/dbraw/zinc/15/57/94/494155794.db2.gz ZXASALPOVCEOBV-INIZCTEOSA-N 1 0 353.470 3.282 40 0 FGABRO O=C(C[N@H+]1CCC[C@@H](c2nccnc2-c2ccccc2F)C1)N1CCCC1 ZINC000072358547 494156713 /nfs/dbraw/zinc/15/67/13/494156713.db2.gz MKWFUJDVGPWFKI-MRXNPFEDSA-N 1 0 368.456 3.085 40 0 FGABRO O=c1cc([C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)nc(-c2ccncc2)[nH]1 ZINC000072392897 494163364 /nfs/dbraw/zinc/16/33/64/494163364.db2.gz FTHYFVVABNRIAZ-QGZVFWFLSA-N 1 0 364.424 3.351 40 0 FGABRO O=c1cc([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)nc(-c2cccnc2)[nH]1 ZINC000072393040 494163710 /nfs/dbraw/zinc/16/37/10/494163710.db2.gz VKIBVPZSHLJXQV-QGZVFWFLSA-N 1 0 364.424 3.351 40 0 FGABRO CC1CC[NH+](C[C@@H](O)COCCOC23CC4CC(CC(C4)C2)C3)CC1 ZINC000041689940 494173488 /nfs/dbraw/zinc/17/34/88/494173488.db2.gz DWEAPCHMXXYBCW-DIGXMAGLSA-N 1 0 351.531 3.081 40 0 FGABRO CCOc1cc(C[NH+]2CCC(c3[nH]nc4nccnc43)CC2)ccc1OC ZINC000012228325 494216068 /nfs/dbraw/zinc/21/60/68/494216068.db2.gz AZLYBUIHEVYVIK-UHFFFAOYSA-N 1 0 367.453 3.140 40 0 FGABRO Cc1cc(-c2cnc(NCCC[NH+](C)C)nc2-c2cccnc2C)on1 ZINC000012223054 494216150 /nfs/dbraw/zinc/21/61/50/494216150.db2.gz GUSVUCSNHQVADZ-UHFFFAOYSA-N 1 0 352.442 3.174 40 0 FGABRO COc1ccccc1C1(O)CC[NH+](C[C@@H](O)c2ccc(C)c(C)c2)CC1 ZINC000012292204 494218798 /nfs/dbraw/zinc/21/87/98/494218798.db2.gz IULXBGUFJGFAAB-HXUWFJFHSA-N 1 0 355.478 3.329 40 0 FGABRO Cc1cc(C(=O)NCC[NH+]2CCC(O)(c3ccc(C)cc3)CC2)sc1C ZINC000012291118 494219029 /nfs/dbraw/zinc/21/90/29/494219029.db2.gz SMTPWVQPKXVOQQ-UHFFFAOYSA-N 1 0 372.534 3.387 40 0 FGABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000013676405 494292598 /nfs/dbraw/zinc/29/25/98/494292598.db2.gz ACKRNUVCLWYFQQ-HUUCEWRRSA-N 1 0 358.935 3.127 40 0 FGABRO c1ccc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccncc3)C2)nc1 ZINC000107712412 494589386 /nfs/dbraw/zinc/58/93/86/494589386.db2.gz SQNPUZHTVDNRGL-RTWAWAEBSA-N 1 0 353.466 3.065 40 0 FGABRO Fc1cccc(C[N@@H+]2CCC[C@@]3(C[C@@H](CNc4ncccn4)CO3)C2)c1 ZINC000107790879 494600157 /nfs/dbraw/zinc/60/01/57/494600157.db2.gz GTDIKBTVPGVICA-FXAWDEMLSA-N 1 0 356.445 3.099 40 0 FGABRO c1nc2c(n1CC1CC1)[C@H](COCC1CCOCC1)C[N@@H+](C1CCC1)C2 ZINC000096045172 494997963 /nfs/dbraw/zinc/99/79/63/494997963.db2.gz HJLMQCOPRUSYRI-SFHVURJKSA-N 1 0 359.514 3.188 40 0 FGABRO COc1cccc(C[NH+]2CCC3(CCN(C(=O)c4ccccn4)C3)CC2)c1 ZINC000096046644 494998800 /nfs/dbraw/zinc/99/88/00/494998800.db2.gz MICNDJCSDAIZMG-UHFFFAOYSA-N 1 0 365.477 3.219 40 0 FGABRO Fc1cccnc1OCC[C@@H]1CCOC12CC[NH+](Cc1cccnc1)CC2 ZINC000247496220 496873077 /nfs/dbraw/zinc/87/30/77/496873077.db2.gz CZTSBRIEVWIJPN-GOSISDBHSA-N 1 0 371.456 3.456 40 0 FGABRO CCOC[C@]1(C[NH3+])[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218461298 497002076 /nfs/dbraw/zinc/00/20/76/497002076.db2.gz GENZUWQEDZYTAD-PCCBWWKXSA-N 1 0 373.518 3.225 40 0 FGABRO CC(C)n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCC[NH+](C)C ZINC000223234422 497033660 /nfs/dbraw/zinc/03/36/60/497033660.db2.gz IZZIBUNKRBGPFU-RTBURBONSA-N 1 0 371.554 3.388 40 0 FGABRO Fc1ccc(NC(=S)N2CC[NH+](C3Cc4ccccc4C3)CC2)cc1 ZINC000225210525 497058746 /nfs/dbraw/zinc/05/87/46/497058746.db2.gz QEIZZJVNIBAORA-UHFFFAOYSA-N 1 0 355.482 3.308 40 0 FGABRO CCOC(=O)c1ccc(C)c(NC(=S)NCCC[NH+]2CCCCC2)c1 ZINC000225410693 497061944 /nfs/dbraw/zinc/06/19/44/497061944.db2.gz UCCMATMVSRLGDY-UHFFFAOYSA-N 1 0 363.527 3.334 40 0 FGABRO c1ccc(C[N@@H+]2CC[C@H](c3nnn4cc(-c5ccncc5)ccc34)C2)nc1 ZINC000306122967 498736365 /nfs/dbraw/zinc/73/63/65/498736365.db2.gz AAYCDEJNOPXLHI-SFHVURJKSA-N 1 0 356.433 3.176 40 0 FGABRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([N@@H+]3CCc4ccccc4C3)C2)cc1 ZINC000408605665 499592857 /nfs/dbraw/zinc/59/28/57/499592857.db2.gz GJHDFSKCWBYSTN-HXUWFJFHSA-N 1 0 370.518 3.206 40 0 FGABRO COCC[N@@H+]1CCCC[C@@H]1C1CCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000585113210 507576430 /nfs/dbraw/zinc/57/64/30/507576430.db2.gz GXHBDMVQHXBQNJ-HXUWFJFHSA-N 1 0 362.489 3.108 40 0 FGABRO CC(C)(C)OC(=O)N1CC(C[NH2+]CCc2ccc(Br)cc2)C1 ZINC000090635724 518799708 /nfs/dbraw/zinc/79/97/08/518799708.db2.gz FGHIWZALXZWNQV-UHFFFAOYSA-N 1 0 369.303 3.448 40 0 FGABRO O=C(NCc1ccccc1)N1CC[C@H]2CC[N@H+](Cc3ccccn3)CC[C@@H]21 ZINC000306138902 534676044 /nfs/dbraw/zinc/67/60/44/534676044.db2.gz SKLJXMCNLZCWGI-CTNGQTDRSA-N 1 0 364.493 3.278 40 0 FGABRO Cc1ncc(-c2cc(CC3CC[NH+](C4CCN(C)CC4)CC3)ccn2)n1C ZINC000257309673 534720442 /nfs/dbraw/zinc/72/04/42/534720442.db2.gz UBXBENGZCZTWGC-UHFFFAOYSA-N 1 0 367.541 3.139 40 0 FGABRO Cc1ncc(CN(C)C)c([C@@H]2CCC[N@@H+]2CCOc2ccc(F)cc2)n1 ZINC000257331960 534734426 /nfs/dbraw/zinc/73/44/26/534734426.db2.gz XVCGATLBJWXVKM-IBGZPJMESA-N 1 0 358.461 3.202 40 0 FGABRO CC(=O)N[C@@H]1C[C@H](c2cccc(OCC[NH+](C)C)c2)O[C@@H]2CCCC[C@@H]12 ZINC000257303711 526864887 /nfs/dbraw/zinc/86/48/87/526864887.db2.gz SIJUQMCYKWITHY-DOIPELPJSA-N 1 0 360.498 3.152 40 0 FGABRO CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C[C@H]21 ZINC000257336098 527817676 /nfs/dbraw/zinc/81/76/76/527817676.db2.gz YNDQEAAGDXFUMR-ZJSJBZJDSA-N 1 0 370.493 3.001 40 0 FGABRO CC(C)[C@H](C)NC(=O)c1nc(-c2ccn(CC[NH+](C)C)c2)n2ccccc12 ZINC000306136557 528970808 /nfs/dbraw/zinc/97/08/08/528970808.db2.gz PWYHDSLJIJOPES-INIZCTEOSA-N 1 0 367.497 3.139 40 0 FGABRO CC(C)Nc1nc(NCc2cccc(Br)c2)cc(C2CC2)[nH+]1 ZINC000328985809 529113916 /nfs/dbraw/zinc/11/39/16/529113916.db2.gz HVQRXZSELJZPOM-UHFFFAOYSA-N 1 0 361.287 3.393 40 0 FGABRO CN(c1cccnn1)[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc4ccccc4n3)C[C@H]12 ZINC000257296549 530037628 /nfs/dbraw/zinc/03/76/28/530037628.db2.gz RDHRPMPGNQNDQY-SLYNCCJLSA-N 1 0 359.477 3.372 40 0 FGABRO COc1ccc(NC(=S)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1OC ZINC000225727576 222863779 /nfs/dbraw/zinc/86/37/79/222863779.db2.gz OTLZASMVNSZFEP-GJZGRUSLSA-N 1 0 365.543 3.358 40 0 FGABRO Cc1ncsc1C[N@@H+]1CCC[C@H](c2cnc(Nc3cnccn3)cn2)C1 ZINC000257256845 223039960 /nfs/dbraw/zinc/03/99/60/223039960.db2.gz KNCNYDUBUCIKQL-AWEZNQCLSA-N 1 0 367.482 3.155 40 0 FGABRO Cc1cccc(Nc2nccnc2C2CC[NH+](Cc3cnn(C)c3)CC2)n1 ZINC000257266069 223042137 /nfs/dbraw/zinc/04/21/37/223042137.db2.gz MBKZJHJQRCXJCD-UHFFFAOYSA-N 1 0 363.469 3.037 40 0 FGABRO Cc1ncsc1C[N@H+]1CCC[C@@H](c2cncc(-c3nccn3C)n2)C1 ZINC000257273062 223044927 /nfs/dbraw/zinc/04/49/27/223044927.db2.gz NFCKEUYZRUIUNB-CQSZACIVSA-N 1 0 354.483 3.022 40 0 FGABRO [NH3+]Cc1cccc(-c2cccnc2C(=O)NCc2nc3ccccc3[nH]2)c1 ZINC000257269767 223044197 /nfs/dbraw/zinc/04/41/97/223044197.db2.gz MRHOOARKJBEHCA-UHFFFAOYSA-N 1 0 357.417 3.014 40 0 FGABRO Cc1ncsc1C[NH+]1CCC(Cc2cnc(-c3nccn3C)cn2)CC1 ZINC000257296175 223054901 /nfs/dbraw/zinc/05/49/01/223054901.db2.gz RBNXLTHSUWPFDX-UHFFFAOYSA-N 1 0 368.510 3.097 40 0 FGABRO Cn1cc(C[N@@H+]2CC[C@H]3O[C@H]4c5ccccc5OC(C)(C)[C@@H]4C[C@H]32)cn1 ZINC000257298266 223057067 /nfs/dbraw/zinc/05/70/67/223057067.db2.gz RKYVCALRGRIEIP-LFGUQSLTSA-N 1 0 353.466 3.312 40 0 FGABRO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000257338853 223072160 /nfs/dbraw/zinc/07/21/60/223072160.db2.gz YZEKWDMFBCKMSO-OAHLLOKOSA-N 1 0 373.522 3.214 40 0 FGABRO c1csc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4cccnc4)C2)OC3)c1 ZINC000306127502 223107781 /nfs/dbraw/zinc/10/77/81/223107781.db2.gz GAEMBYISXYIDGC-IBGZPJMESA-N 1 0 352.463 3.182 40 0 FGABRO O[C@@H]1C[C@@H](c2nc(C3CC3)no2)N(Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000015674775 220159551 /nfs/dbraw/zinc/15/95/51/220159551.db2.gz SODFLXAIUSQLSV-OCCSQVGLSA-N 1 0 369.343 3.154 40 0 biogenic,in-vitro FGABRO CC(C)N1C[C@H](O)C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000015674276 220159802 /nfs/dbraw/zinc/15/98/02/220159802.db2.gz QVGJFCYPJQLPBX-YPMHNXCESA-N 1 0 357.332 3.151 40 0 biogenic,in-vitro FGABRO Cc1ccc(CC(=O)N2CCCC[C@@H]2c2ncc3c(n2)CC[N@@H+](C)C3)cc1 ZINC000019209770 220238826 /nfs/dbraw/zinc/23/88/26/220238826.db2.gz LOAVMWWRQVILCB-HXUWFJFHSA-N 1 0 364.493 3.069 40 0 FGABRO Cc1ccc([C@@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@H]2c2csnn2)cc1 ZINC000019211979 220239728 /nfs/dbraw/zinc/23/97/28/220239728.db2.gz XQQVZOKUDQGCSQ-ZWKOTPCHSA-N 1 0 370.522 3.042 40 0 FGABRO O=C(NC1(C[NH+]2CCCC2)CCCCC1)c1cc2c([nH]c1=O)CCCCC2 ZINC000019292229 220245666 /nfs/dbraw/zinc/24/56/66/220245666.db2.gz CJRZGJWMHQYGJP-UHFFFAOYSA-N 1 0 371.525 3.172 40 0 FGABRO O=c1cc([C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)C2)nc(-c2ccncc2)[nH]1 ZINC000019292845 220247143 /nfs/dbraw/zinc/24/71/43/220247143.db2.gz XENLCXATLAKEKJ-HNNXBMFYSA-N 1 0 368.387 3.100 40 0 FGABRO O=c1cc(-c2ccccn2)nc([C@H]2CCC[N@@H+](Cc3ccccc3F)C2)[nH]1 ZINC000019349023 220253785 /nfs/dbraw/zinc/25/37/85/220253785.db2.gz FOUBADLFUPNBHV-INIZCTEOSA-N 1 0 364.424 3.351 40 0 FGABRO O=C(c1cc([C@H]2CCC[N@H+](CCc3ccccc3)C2)no1)N1CCCC1 ZINC000019371273 220253427 /nfs/dbraw/zinc/25/34/27/220253427.db2.gz LGEDQPDCXHWCKS-SFHVURJKSA-N 1 0 353.466 3.333 40 0 FGABRO O=C(NC1CC1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCc1ccccc1C2=O ZINC000019372625 220253961 /nfs/dbraw/zinc/25/39/61/220253961.db2.gz JLJOYKTVVNZZFM-XUZZJYLKSA-N 1 0 374.484 3.213 40 0 FGABRO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc(OCC(N)=O)c(OC)c1 ZINC000019500998 220262984 /nfs/dbraw/zinc/26/29/84/220262984.db2.gz CHIXBDMHCOEFCG-OAHLLOKOSA-N 1 0 360.479 3.130 40 0 FGABRO CCCN(CC1CC1)C(=O)Cn1c([C@H]2CCC[NH2+]C2)cc2cccnc21 ZINC000019502461 220263722 /nfs/dbraw/zinc/26/37/22/220263722.db2.gz JOPJVPYLDPOYKA-SFHVURJKSA-N 1 0 354.498 3.152 40 0 FGABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3cc(C(=O)N4CCCC4)on3)C2)cc1 ZINC000019555158 220270756 /nfs/dbraw/zinc/27/07/56/220270756.db2.gz NDFNRWOTAPRCRP-QGZVFWFLSA-N 1 0 369.465 3.299 40 0 FGABRO Cc1nn(C[C@H](C)C(=O)N2CCCC[C@@H]2CC[NH+]2CCCC2)c(C)c1C ZINC000019556818 220272111 /nfs/dbraw/zinc/27/21/11/220272111.db2.gz JYCSUODBPKWDQD-OXJNMPFZSA-N 1 0 360.546 3.311 40 0 FGABRO Cc1c(-c2cncn2[C@@H](C)C[NH+]2CCOCC2)c(-c2ccccc2)nn1C ZINC000019719398 220291164 /nfs/dbraw/zinc/29/11/64/220291164.db2.gz PDTXKAVBPANXFH-INIZCTEOSA-N 1 0 365.481 3.152 40 0 FGABRO COc1ccc(-c2cc(C(=O)N3CCC([NH+]4CCCC4)CC3)on2)cc1 ZINC000019718900 220289537 /nfs/dbraw/zinc/28/95/37/220289537.db2.gz BRAGFEQFERURHC-UHFFFAOYSA-N 1 0 355.438 3.051 40 0 FGABRO COc1cccc([C@H]2CCC[N@@H+]2Cc2cnc(N3CCOCC3)s2)c1 ZINC000019715684 220290485 /nfs/dbraw/zinc/29/04/85/220290485.db2.gz DSRUWMSJEAWZMP-GOSISDBHSA-N 1 0 359.495 3.325 40 0 FGABRO Cn1cc(C[N@@H+]2CC[C@H](C(=O)Nc3ccccn3)C2)c2cc(F)ccc21 ZINC000019747811 220293831 /nfs/dbraw/zinc/29/38/31/220293831.db2.gz LSSPRMSZXMBMPR-AWEZNQCLSA-N 1 0 352.413 3.173 40 0 FGABRO C[N@H+]1C[C@H]2CCC[C@@H](C1)C2OC(=O)[C@](O)(c1ccccc1)C1CCCC1 ZINC000021984626 220372811 /nfs/dbraw/zinc/37/28/11/220372811.db2.gz ROZOEEGFKDFEFP-JLPZCGHASA-N 1 0 357.494 3.338 40 0 FGABRO COc1cccc(CN2CCC[C@H]2c2nc(C)ncc2C[NH+](C)C)c1F ZINC000257212355 533478618 /nfs/dbraw/zinc/47/86/18/533478618.db2.gz CDAOYXRAPIMWFB-KRWDZBQOSA-N 1 0 358.461 3.331 40 0 FGABRO O=C1COC2(CC[NH+](Cc3ccc(F)cc3)CC2)CN1c1ccccc1 ZINC000096049231 132217655 /nfs/dbraw/zinc/21/76/55/132217655.db2.gz CPJONPWDZBBMJI-UHFFFAOYSA-N 1 0 354.425 3.224 40 0 FGABRO Cc1cnc(N2CCC3(C[C@H]([N@H+](C)Cc4cccs4)CO3)CC2)nc1 ZINC000104950168 132238795 /nfs/dbraw/zinc/23/87/95/132238795.db2.gz RMNRYLLWPSADAR-INIZCTEOSA-N 1 0 358.511 3.106 40 0 FGABRO CCCOC(=O)c1cc(N)ccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000225487072 132284935 /nfs/dbraw/zinc/28/49/35/132284935.db2.gz IADXNFKJTXHMEP-UHFFFAOYSA-N 1 0 353.466 3.158 40 0 FGABRO COc1ccc(CN2CCCc3c(C)nc([C@H]4CCC[NH2+]C4)nc32)cc1 ZINC000257291990 132296891 /nfs/dbraw/zinc/29/68/91/132296891.db2.gz QJMVLBBFLWPIIG-KRWDZBQOSA-N 1 0 352.482 3.213 40 0 FGABRO CCc1cc(N2Cc3ccccc3C[C@H]2C)nc(N[C@H](CO)C(C)C)[nH+]1 ZINC000328986162 132372126 /nfs/dbraw/zinc/37/21/26/132372126.db2.gz HWVLCGZVEFYMRL-DNVCBOLYSA-N 1 0 354.498 3.419 40 0 FGABRO COc1ccc2c(c1)CCN(c1cc(NCC[NH+](C)C)nc(C(C)C)n1)C2 ZINC000328982079 132372176 /nfs/dbraw/zinc/37/21/76/132372176.db2.gz GXWWQPZDSYXSQL-UHFFFAOYSA-N 1 0 369.513 3.145 40 0 FGABRO CNc1nc(N2CCc3ccc(OC(F)(F)F)cc3C2)cc(C2CC2)[nH+]1 ZINC000329065048 132373043 /nfs/dbraw/zinc/37/30/43/132373043.db2.gz XNWJGZAUAPMZAW-UHFFFAOYSA-N 1 0 364.371 3.279 40 0 FGABRO Cc1ncsc1C[NH+]1CCC2(CO[C@H](COc3ccccn3)C2)CC1 ZINC000096110800 222028370 /nfs/dbraw/zinc/02/83/70/222028370.db2.gz IRVDQCPYKIDOGX-INIZCTEOSA-N 1 0 359.495 3.297 40 0 FGABRO COC[C@H]1CC2(CN1c1ncccn1)CC[NH+](Cc1ccc(C)s1)CC2 ZINC000096051804 222002651 /nfs/dbraw/zinc/00/26/51/222002651.db2.gz JHGWAGZIGPIEBC-QGZVFWFLSA-N 1 0 372.538 3.354 40 0 FGABRO C[N@H+](Cc1ccco1)[C@@H]1CCC[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]21 ZINC000096054570 222003332 /nfs/dbraw/zinc/00/33/32/222003332.db2.gz OJGLYWYCPRXLMP-FFZOFVMBSA-N 1 0 374.506 3.201 40 0 FGABRO Cc1ccc(CN2CC[N@@H+]3C[C@@H](OCc4cccc(C)n4)C[C@H]3C2)s1 ZINC000096055089 222004543 /nfs/dbraw/zinc/00/45/43/222004543.db2.gz URJOYYSFRMYGFF-OALUTQOASA-N 1 0 357.523 3.235 40 0 FGABRO O=C(CCc1cccnc1)N1C[C@@H]2C[NH+](Cc3cccc(Cl)c3)C[C@H]2C1 ZINC000096245518 222100226 /nfs/dbraw/zinc/10/02/26/222100226.db2.gz IIEGMLLZJXFTFE-OALUTQOASA-N 1 0 369.896 3.258 40 0 FGABRO CC[N@@H+]1C[C@@H](COC)[C@]2(CCN(C(=O)c3csc4ccccc34)C2)C1 ZINC000096209886 222080765 /nfs/dbraw/zinc/08/07/65/222080765.db2.gz QCPKBOPSPOUPBV-MGPUTAFESA-N 1 0 358.507 3.332 40 0 FGABRO CC[N@@H+]1C[C@H](COCc2ccccn2)[C@]2(CCN(Cc3ccoc3)C2)C1 ZINC000096216927 222081572 /nfs/dbraw/zinc/08/15/72/222081572.db2.gz YLDNGBSMBWXHSJ-TZIWHRDSSA-N 1 0 355.482 3.035 40 0 FGABRO CC[N@@H+]1C[C@@H](COC)[C@]2(CCN(C(=O)c3cc4ccccc4s3)C2)C1 ZINC000096217849 222082389 /nfs/dbraw/zinc/08/23/89/222082389.db2.gz XWAXOYLTKFHWAK-OXJNMPFZSA-N 1 0 358.507 3.332 40 0 FGABRO CC(=O)Nc1nc(C)c(-c2cnc([C@@H]3CCC[N@@H+](C(C)C)C3)cn2)s1 ZINC000257320164 263464049 /nfs/dbraw/zinc/46/40/49/263464049.db2.gz VVPJLWOEMAISSZ-CQSZACIVSA-N 1 0 359.499 3.455 40 0 FGABRO COc1ccccc1[C@]1(O)CCC[N@H+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000036741289 494097669 /nfs/dbraw/zinc/09/76/69/494097669.db2.gz HKKVYNZWJTVDEZ-ICSRJNTNSA-N 1 0 361.869 3.366 40 0 FGABRO O=C(C1CC[NH+](Cc2ccc(F)cc2)CC1)N1CC(=O)Nc2ccccc21 ZINC000009063632 494113730 /nfs/dbraw/zinc/11/37/30/494113730.db2.gz WTWXOTCWSQMBKI-UHFFFAOYSA-N 1 0 367.424 3.023 40 0 FGABRO CCn1ncc(C[NH+]2CCC(c3nc(C)cc(N4CCCC4)n3)CC2)c1C ZINC000072337247 494153356 /nfs/dbraw/zinc/15/33/56/494153356.db2.gz UZWNNXUANUATSP-UHFFFAOYSA-N 1 0 368.529 3.290 40 0 FGABRO COc1ccccc1C[N@@H+]1CCC[C@H]([C@H](NC(C)=O)c2nccs2)C1 ZINC000072337741 494153727 /nfs/dbraw/zinc/15/37/27/494153727.db2.gz MXVZUPFHVQXZCO-WMZOPIPTSA-N 1 0 359.495 3.241 40 0 FGABRO Cc1cc2nc([C@@H]3CCC[N@H+](Cc4ccc(F)cc4F)C3)cc(N)n2n1 ZINC000072339780 494153806 /nfs/dbraw/zinc/15/38/06/494153806.db2.gz KCCGUMXYTHYXNQ-CQSZACIVSA-N 1 0 357.408 3.278 40 0 FGABRO O=C(C[N@H+]1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1)N1CCCC1 ZINC000072358546 494156820 /nfs/dbraw/zinc/15/68/20/494156820.db2.gz CYHQKADEFLIKSU-KRWDZBQOSA-N 1 0 368.456 3.085 40 0 FGABRO O=C(C[N@H+]1CCC[C@@H](c2nccnc2-c2cccc(F)c2)C1)N1CCCC1 ZINC000072358549 494157448 /nfs/dbraw/zinc/15/74/48/494157448.db2.gz SZACVRZQIYUNGL-QGZVFWFLSA-N 1 0 368.456 3.085 40 0 FGABRO CC(C)C(=O)N[C@H](c1nccs1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000012089232 494204062 /nfs/dbraw/zinc/20/40/62/494204062.db2.gz KWTNRZXSRYNGQH-IRXDYDNUSA-N 1 0 358.511 3.264 40 0 FGABRO COc1ccc2c(c1)c(C[N@@H+]1CC[C@H](c3ccccc3)C1)cn2CC(N)=O ZINC000012363919 494227075 /nfs/dbraw/zinc/22/70/75/494227075.db2.gz NOPUAROMQXEKLT-KRWDZBQOSA-N 1 0 363.461 3.125 40 0 FGABRO Cn1cc(C[N@@H+]2CC[C@@H](c3cc(COc4cccc(Cl)c4)[nH]n3)C2)cn1 ZINC000019704721 494455409 /nfs/dbraw/zinc/45/54/09/494455409.db2.gz HDOTWOAFIGRKQZ-OAHLLOKOSA-N 1 0 371.872 3.365 40 0 FGABRO CN(C)c1nc2ccccc2cc1C[N@@H+]1CC[C@H]2[C@H]1CCCCC(=O)N2C ZINC000019713182 494456161 /nfs/dbraw/zinc/45/61/61/494456161.db2.gz XCJNTSMVEUEODY-VQTJNVASSA-N 1 0 366.509 3.276 40 0 FGABRO CC[C@H](OC[C@@H](O)C[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000024302542 494620359 /nfs/dbraw/zinc/62/03/59/494620359.db2.gz NMAYQELHCDLDNH-VXKWHMMOSA-N 1 0 354.494 3.337 40 0 FGABRO O=C(CN1CCC([NH+]2CCCCC2)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000026439327 494824844 /nfs/dbraw/zinc/82/48/44/494824844.db2.gz FDLJIHKLMOZALC-UHFFFAOYSA-N 1 0 359.558 3.022 40 0 FGABRO c1nc2n(c1-c1ccccc1)CCNC21CC[NH+](Cc2cccnc2)CC1 ZINC000096037105 494997119 /nfs/dbraw/zinc/99/71/19/494997119.db2.gz MBZUHTVUHZDIMO-UHFFFAOYSA-N 1 0 359.477 3.040 40 0 FGABRO Cc1ncccc1NC(=O)[C@H]1C[C@@H]2CC[N@H+](Cc3cccs3)C[C@H]2O1 ZINC000096042851 494998915 /nfs/dbraw/zinc/99/89/15/494998915.db2.gz PCIRLLXKUFGVQG-BMGDILEWSA-N 1 0 357.479 3.070 40 0 FGABRO O=C1N(Cc2ccncc2)CC[C@]12CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096048660 494999391 /nfs/dbraw/zinc/99/93/91/494999391.db2.gz ISJKJHWKKYOUPI-NRFANRHFSA-N 1 0 353.441 3.235 40 0 FGABRO Cc1cccc(CO[C@@H]2Cn3cccc3C[N@H+](CC3CCOCC3)C2)n1 ZINC000247873025 496923792 /nfs/dbraw/zinc/92/37/92/496923792.db2.gz MFFVHQTVKIVILS-NRFANRHFSA-N 1 0 355.482 3.019 40 0 FGABRO COc1cccc(C[N@@H+]2C[C@@H]3OC[C@H](CCOCc4ccccn4)[C@@H]3C2)c1 ZINC000247882521 496924852 /nfs/dbraw/zinc/92/48/52/496924852.db2.gz JSSMHUMZIMJTAK-NYVOZVTQSA-N 1 0 368.477 3.144 40 0 FGABRO COc1ccc(C)cc1C[N@@H+]1C[C@@H]2CC[C@@](O)(c3ncccc3C)[C@H]2C1 ZINC000247942427 496930626 /nfs/dbraw/zinc/93/06/26/496930626.db2.gz VITLRXRNPGWSJZ-JLMWRMLUSA-N 1 0 352.478 3.437 40 0 FGABRO Cc1c2ccccc2oc1C(=O)N1Cc2ccnn2[C@H](CC[NH+](C)C)C1 ZINC000248138304 496961854 /nfs/dbraw/zinc/96/18/54/496961854.db2.gz SJNOPSZKCWUUQW-MRXNPFEDSA-N 1 0 352.438 3.087 40 0 FGABRO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](C[C@H]2CCOC2)C1 ZINC000248204405 496972733 /nfs/dbraw/zinc/97/27/33/496972733.db2.gz ACSOWUPGCPNIGC-LMMKCTJWSA-N 1 0 359.514 3.034 40 0 FGABRO CC[NH+](CC)C[C@@H]1CO[C@@H]2CN(C(=O)CCc3ccccc3Cl)C[C@H]12 ZINC000248258235 496975798 /nfs/dbraw/zinc/97/57/98/496975798.db2.gz PKSDJKFLBKTTKF-ZHALLVOQSA-N 1 0 364.917 3.088 40 0 FGABRO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(OC)c(C)c1C ZINC000224544970 497049933 /nfs/dbraw/zinc/04/99/33/497049933.db2.gz CUAGSIOKBGBQQB-KRWDZBQOSA-N 1 0 368.543 3.245 40 0 FGABRO Cc1cc(F)ccc1S(=O)(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000224520244 497050015 /nfs/dbraw/zinc/05/00/15/497050015.db2.gz ABLZIRHTRHJYHM-UHFFFAOYSA-N 1 0 362.470 3.208 40 0 FGABRO COc1cc2c(cc1OC)[C@H](C)N([C@H]1CCC[N@H+](C[C@H]3CCOC3)C1)CC2 ZINC000253588976 497344108 /nfs/dbraw/zinc/34/41/08/497344108.db2.gz CTQLUGWXNRBAFM-SCTDSRPQSA-N 1 0 374.525 3.124 40 0 FGABRO Cc1c2ccccc2oc1C(=O)N1Cc2cncn2[C@H](C[NH+]2CCCC2)C1 ZINC000253599686 497344686 /nfs/dbraw/zinc/34/46/86/497344686.db2.gz YFCKSJCEDRQLLR-QGZVFWFLSA-N 1 0 364.449 3.231 40 0 FGABRO Cc1c2ccccc2oc1C(=O)N1Cc2cncn2[C@@H](C[NH+]2CCCC2)C1 ZINC000253599683 497345193 /nfs/dbraw/zinc/34/51/93/497345193.db2.gz YFCKSJCEDRQLLR-KRWDZBQOSA-N 1 0 364.449 3.231 40 0 FGABRO C[N@@H+]1CC[C@H](COCc2ccncc2)CC12CN(Cc1cccs1)C2 ZINC000585102648 507569017 /nfs/dbraw/zinc/56/90/17/507569017.db2.gz DUAQZNLYEOXHLV-SFHVURJKSA-N 1 0 357.523 3.256 40 0 FGABRO O=C(c1cnc2ccccn12)N1CC[C@H]2[C@H](C[N@@H+]2CC2CCCCC2)C1 ZINC000585107974 507573775 /nfs/dbraw/zinc/57/37/75/507573775.db2.gz OLDYLVINEUJGNT-ROUUACIJSA-N 1 0 352.482 3.061 40 0 FGABRO CC(C)CC[N@@H+]1CC[C@H]2[C@@H]1CC(=O)N2Cc1ccc(-n2cccn2)cc1 ZINC000585109015 507574544 /nfs/dbraw/zinc/57/45/44/507574544.db2.gz NZOVEXOFWJEONY-PMACEKPBSA-N 1 0 352.482 3.094 40 0 FGABRO COCC[N@@H+]1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(C)cc2)CC1 ZINC000585113263 507576837 /nfs/dbraw/zinc/57/68/37/507576837.db2.gz ZPGHRROGZASEBT-NRFANRHFSA-N 1 0 358.526 3.277 40 0 FGABRO Cc1cccc(OC[C@H](O)C[NH2+]Cc2cc3cc(C)cc(C)c3[nH]c2=O)c1 ZINC000585284293 507584159 /nfs/dbraw/zinc/58/41/59/507584159.db2.gz JLZNDKODRFGQSI-LJQANCHMSA-N 1 0 366.461 3.395 40 0 FGABRO CCCC(CCC)[N@@H+]1CCOC[C@@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585282724 507584295 /nfs/dbraw/zinc/58/42/95/507584295.db2.gz NEMNXLXZFKPGDF-LJQANCHMSA-N 1 0 357.441 3.376 40 0 FGABRO COc1cccc(CC[NH2+][C@H]2CCC[C@@H](Oc3cccc(F)c3)[C@@H]2O)c1 ZINC000585289406 507586139 /nfs/dbraw/zinc/58/61/39/507586139.db2.gz JDBAREOZNTVKOM-PWRODBHTSA-N 1 0 359.441 3.327 40 0 FGABRO Cc1ccc2[nH]c(=O)c(C[NH2+]C[C@H](O)COc3ccc(C)c(C)c3)cc2c1 ZINC000585285753 507586369 /nfs/dbraw/zinc/58/63/69/507586369.db2.gz SPNGWHYTOKQVPZ-IBGZPJMESA-N 1 0 366.461 3.395 40 0 FGABRO CN(CC[NH2+][C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O)c1ccccc1 ZINC000585290093 507587098 /nfs/dbraw/zinc/58/70/98/507587098.db2.gz ZXPLDMBLEPVSFH-PWRODBHTSA-N 1 0 358.457 3.213 40 0 FGABRO O=C(CCC1CCCC1)N1CC[NH2+]C[C@@H](Cc2ccnc3cccnc23)C1 ZINC000257334199 534329226 /nfs/dbraw/zinc/32/92/26/534329226.db2.gz YEZVBVPVIVQILL-GOSISDBHSA-N 1 0 366.509 3.191 40 0 FGABRO CC(=O)N1CC2(CC[NH+](CCCc3ccccc3)CC2)C[C@@H](O)C1(C)C ZINC000257219422 526525315 /nfs/dbraw/zinc/52/53/15/526525315.db2.gz DGSSKSUBCATQJY-HXUWFJFHSA-N 1 0 358.526 3.093 40 0 FGABRO CCNc1cc(N2CCc3cc(OC)c(OC)cc3C2)nc(C2CC2)[nH+]1 ZINC000329017294 535522738 /nfs/dbraw/zinc/52/27/38/535522738.db2.gz NKMQYFACCOUYLE-UHFFFAOYSA-N 1 0 354.454 3.366 40 0 FGABRO CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000685938949 568434692 /nfs/dbraw/zinc/43/46/92/568434692.db2.gz HQMWMOHLMWYEOC-DFQSSKMNSA-N 1 0 359.514 3.240 40 0 FGABRO COc1cccc(O[C@H](C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000224623639 222816830 /nfs/dbraw/zinc/81/68/30/222816830.db2.gz UISUOSGISFDSEK-QGZVFWFLSA-N 1 0 368.477 3.375 40 0 FGABRO Cc1c[nH]c(-c2nccnc2CC2CC[NH+](Cc3cncs3)CC2)n1 ZINC000257236122 223032395 /nfs/dbraw/zinc/03/23/95/223032395.db2.gz HAWGLRDXUVIOOW-UHFFFAOYSA-N 1 0 354.483 3.086 40 0 FGABRO Cc1cc(N(C)C)cc([C@H]2CN(C(=O)CCc3cccs3)CCO2)[nH+]1 ZINC000257261489 223040995 /nfs/dbraw/zinc/04/09/95/223040995.db2.gz LHNSBOJIDMGAFT-GOSISDBHSA-N 1 0 359.495 3.050 40 0 FGABRO C[C@@]1(C2CC[NH+](Cc3cnc[nH]3)CC2)CN(c2ccc(F)cc2)C(=O)O1 ZINC000257267687 223044686 /nfs/dbraw/zinc/04/46/86/223044686.db2.gz MIJMHAVONAURPJ-IBGZPJMESA-N 1 0 358.417 3.176 40 0 FGABRO C[C@]1(C2CC[NH+](Cc3cnc[nH]3)CC2)CN(c2ccc(F)cc2)C(=O)O1 ZINC000257267688 223044291 /nfs/dbraw/zinc/04/42/91/223044291.db2.gz MIJMHAVONAURPJ-LJQANCHMSA-N 1 0 358.417 3.176 40 0 FGABRO Cc1nc(Nc2cnccn2)cc([C@H]2CCCC[N@@H+]2CC2CCOCC2)n1 ZINC000257277392 223048773 /nfs/dbraw/zinc/04/87/73/223048773.db2.gz NXUHJOPBLDAGCK-GOSISDBHSA-N 1 0 368.485 3.272 40 0 FGABRO O=C(C[NH+]1CCCC1)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1 ZINC000257306406 223059323 /nfs/dbraw/zinc/05/93/23/223059323.db2.gz SUENDDJEXUQCGX-GOSISDBHSA-N 1 0 353.466 3.067 40 0 FGABRO Cc1cccnc1Nc1nccnc1[C@H]1CCC[N@@H+](Cc2ccnn2C)C1 ZINC000257341131 223072230 /nfs/dbraw/zinc/07/22/30/223072230.db2.gz ZIXUGAKETOWPPA-INIZCTEOSA-N 1 0 363.469 3.037 40 0 FGABRO Cc1cc(C[C@@H]2COC[C@H]2[N@@H+](Cc2ccc(F)cc2)C[C@H]2CCOC2)on1 ZINC000019120618 220236838 /nfs/dbraw/zinc/23/68/38/220236838.db2.gz WJNGLWZMEDAQIC-DBXWQHBBSA-N 1 0 374.456 3.218 40 0 FGABRO COc1cccc(C[N@@H+]2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)c1 ZINC000019129298 220237672 /nfs/dbraw/zinc/23/76/72/220237672.db2.gz UGGGVFRPNXKEGM-MRXNPFEDSA-N 1 0 351.454 3.008 40 0 FGABRO Cn1nc2c(c1C(=O)NCc1ccc(C[NH+]3CCCCC3)cc1)CCCC2 ZINC000019288668 220245839 /nfs/dbraw/zinc/24/58/39/220245839.db2.gz XNTGFGIQKAAADH-UHFFFAOYSA-N 1 0 366.509 3.215 40 0 FGABRO C[C@@H](Cn1cc(Cl)cn1)C(=O)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000019457334 220258351 /nfs/dbraw/zinc/25/83/51/220258351.db2.gz YTWXHFUONUQYLR-DOTOQJQBSA-N 1 0 352.910 3.040 40 0 FGABRO C[C@H]1Cc2cc(CC(=O)N3CCCC[C@H]3CC[NH+]3CCCC3)ccc2O1 ZINC000019498092 220263346 /nfs/dbraw/zinc/26/33/46/220263346.db2.gz KGHYFKKYFSULCJ-PXNSSMCTSA-N 1 0 356.510 3.420 40 0 FGABRO CCCOc1ccccc1C[N@@H+]1CC[C@@H](c2nnc(-c3cnccn3)o2)C1 ZINC000019525159 220265212 /nfs/dbraw/zinc/26/52/12/220265212.db2.gz MEFMTJAGUGKYRE-MRXNPFEDSA-N 1 0 365.437 3.305 40 0 FGABRO CCn1c(CCC(=O)N[C@H](C)C[NH+]2CCCCCC2)nc2ccccc21 ZINC000019524285 220265348 /nfs/dbraw/zinc/26/53/48/220265348.db2.gz QCXBULYFAHECBQ-QGZVFWFLSA-N 1 0 356.514 3.370 40 0 FGABRO CCOc1cc2c(cc1CN(CC[NH+](C)C)Cc1cccnc1)O[C@@H](C)C2 ZINC000019532388 220268019 /nfs/dbraw/zinc/26/80/19/220268019.db2.gz IQANHRYQSJKEQS-KRWDZBQOSA-N 1 0 369.509 3.368 40 0 FGABRO CCOc1cc2c(cc1C[NH+]1CCC(O)(c3cccnc3)CC1)CCC2 ZINC000019532445 220269000 /nfs/dbraw/zinc/26/90/00/220269000.db2.gz POBMRFGGLDAPCL-UHFFFAOYSA-N 1 0 352.478 3.453 40 0 FGABRO Cc1nnsc1C(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCC[N@H+]2C ZINC000019563509 220273203 /nfs/dbraw/zinc/27/32/03/220273203.db2.gz OBPJNVSXYBVTDW-KZNAEPCWSA-N 1 0 370.522 3.329 40 0 FGABRO COc1ccc2c(c1)C(=O)NC[C@@H]([C@H]1CCC[N@H+](Cc3ccccc3)C1)O2 ZINC000019562129 220274503 /nfs/dbraw/zinc/27/45/03/220274503.db2.gz WBKXQMHJBQCHOG-UWJYYQICSA-N 1 0 366.461 3.098 40 0 FGABRO Cc1cc(C)c2cc(C[NH2+]Cc3ccccc3F)c3nn(C)c(=O)n3c2c1 ZINC000019569370 220274792 /nfs/dbraw/zinc/27/47/92/220274792.db2.gz CDGSMIHZCNZBNY-UHFFFAOYSA-N 1 0 364.424 3.232 40 0 FGABRO C[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H]2[C@H]1CCCCCN2C(=O)c1cnccn1 ZINC000019590818 220277403 /nfs/dbraw/zinc/27/74/03/220277403.db2.gz FDRWNSPEOUUJAR-SXLOBPIMSA-N 1 0 368.456 3.098 40 0 FGABRO COCCc1ncc(C[NH2+][C@@H]2[C@H]3CCC[C@H]3[C@H]2c2ccc(OC)cc2)cn1 ZINC000019593864 220277636 /nfs/dbraw/zinc/27/76/36/220277636.db2.gz ZKZGUBXMSZHZFR-NPDDRXJXSA-N 1 0 367.493 3.346 40 0 FGABRO COCCC(=O)NC1CC[NH+](CC2(c3ccccc3F)CCCC2)CC1 ZINC000019593245 220278520 /nfs/dbraw/zinc/27/85/20/220278520.db2.gz OMSLQGZUKIBTNT-UHFFFAOYSA-N 1 0 362.489 3.255 40 0 FGABRO CC1CCC(CNC(=O)CCc2csc(N)n2)([NH+]2CCCCC2)CC1 ZINC000019664858 220283784 /nfs/dbraw/zinc/28/37/84/220283784.db2.gz ZPHPTJDJMSAJKW-UHFFFAOYSA-N 1 0 364.559 3.209 40 0 FGABRO CC(C)c1cc(C(=O)Nc2ccccc2C[NH+]2CCCC2)nn2cnnc12 ZINC000019716278 220290538 /nfs/dbraw/zinc/29/05/38/220290538.db2.gz JUVXMHMCRQHIIR-UHFFFAOYSA-N 1 0 364.453 3.096 40 0 FGABRO Cc1cccn2cc(C(=O)N(Cc3ccccc3)C3CC[NH+](C)CC3)nc12 ZINC000019718847 220290583 /nfs/dbraw/zinc/29/05/83/220290583.db2.gz FUMKXFWRABQQNO-UHFFFAOYSA-N 1 0 362.477 3.379 40 0 FGABRO Cc1nn(C)cc1[C@H](C)NC(=O)CC1CC[NH+](CCc2ccccc2)CC1 ZINC000019748248 220293535 /nfs/dbraw/zinc/29/35/35/220293535.db2.gz MZCFJINBHUNWIP-KRWDZBQOSA-N 1 0 368.525 3.251 40 0 FGABRO Cc1ccccc1-c1ncc(C[NH+]2CCC(O)(c3cccnc3)CC2)cn1 ZINC000057823252 221094288 /nfs/dbraw/zinc/09/42/88/221094288.db2.gz MMZJQKKJSODJTQ-UHFFFAOYSA-N 1 0 360.461 3.331 40 0 FGABRO c1ccc(N2CCC[C@]3(CC[N@@H+](Cc4ccc5c(c4)OCO5)C3)C2)nc1 ZINC000096216659 132222590 /nfs/dbraw/zinc/22/25/90/132222590.db2.gz FBDZKNIKHSGIFJ-OAQYLSRUSA-N 1 0 351.450 3.303 40 0 FGABRO 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O=C1N(Cc2cccc(F)c2)CCC12CC[NH+](Cc1cccnc1)CC2 ZINC000096157994 222058339 /nfs/dbraw/zinc/05/83/39/222058339.db2.gz LTMVPPIENONZHR-UHFFFAOYSA-N 1 0 353.441 3.235 40 0 FGABRO Cc1ccc(C[N@@H+]2CCCC3(CCN(C(=O)[C@@H]4CCOC4)CC3)C2)cc1 ZINC000096158521 222058512 /nfs/dbraw/zinc/05/85/12/222058512.db2.gz DCOUWJWGQKYPDU-HXUWFJFHSA-N 1 0 356.510 3.236 40 0 FGABRO Cc1noc(C)c1C[NH+]1CCC2(CCN(C(=O)c3ccsc3)C2)CC1 ZINC000096157473 222058533 /nfs/dbraw/zinc/05/85/33/222058533.db2.gz JZCZYVMTWCDMNQ-UHFFFAOYSA-N 1 0 359.495 3.481 40 0 FGABRO COc1ccc(OCCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000010292225 263364593 /nfs/dbraw/zinc/36/45/93/263364593.db2.gz WTVBJJYQZOLHGE-UHFFFAOYSA-N 1 0 368.477 3.490 40 0 FGABRO Cc1cc(C)cc(OC[C@@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000033528524 263396498 /nfs/dbraw/zinc/39/64/98/263396498.db2.gz HLDMLENOBCKIPS-FQEVSTJZSA-N 1 0 358.457 3.004 40 0 FGABRO CCOc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000031075283 493922941 /nfs/dbraw/zinc/92/29/41/493922941.db2.gz 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FGABRO c1ccc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COCc3cccnc3)C2)nc1 ZINC000096040099 494997482 /nfs/dbraw/zinc/99/74/82/494997482.db2.gz ISSPGGPHHDAFOE-LEWJYISDSA-N 1 0 353.466 3.065 40 0 FGABRO Cc1ccccc1C(=O)N1CC2(C1)CC[C@H](C[N@@H+](C)Cc1ccco1)CO2 ZINC000248072626 496951032 /nfs/dbraw/zinc/95/10/32/496951032.db2.gz BGKPCNTUQDWLRI-GOSISDBHSA-N 1 0 368.477 3.341 40 0 FGABRO CC[NH+]1CCN(c2cc(NC(=O)c3ccc(C)cc3)c(N)cc2C)CC1 ZINC000216867671 496993630 /nfs/dbraw/zinc/99/36/30/496993630.db2.gz JPZRFGUQSKTNFU-UHFFFAOYSA-N 1 0 352.482 3.280 40 0 FGABRO CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c1C ZINC000223263506 497034489 /nfs/dbraw/zinc/03/44/89/497034489.db2.gz QMHSLANSMXULGU-MOPGFXCFSA-N 1 0 371.554 3.054 40 0 FGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc2c(c1)OCCO2 ZINC000225582141 497068458 /nfs/dbraw/zinc/06/84/58/497068458.db2.gz NHTUPYHHXKMJRD-INIZCTEOSA-N 1 0 363.527 3.399 40 0 FGABRO O=C(c1cc2ccccc2[nH]1)N1CC2(C1)CC[C@@H](C[NH+]1CCCCC1)CO2 ZINC000575402906 505972441 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CC[N@@H+]1CC[C@](O)(c2ccc(OC)cc2)[C@H](C(=O)c2ccc(OC)cc2)C1 ZINC000005807729 204226170 /nfs/dbraw/zinc/22/61/70/204226170.db2.gz KMCQMCWQIHWGTK-UNMCSNQZSA-N 1 0 369.461 3.116 40 0 FGABRO CC[NH+](CC)C/C(C)=C(\c1ccccc1)c1ccccc1S(N)(=O)=O ZINC000012410632 204459664 /nfs/dbraw/zinc/45/96/64/204459664.db2.gz XNSRSQRZHIOLTM-CAPFRKAQSA-N 1 0 358.507 3.498 40 0 FGABRO O=C(c1c[nH]nc1C1CC[NH+](CC2CC2)CC1)N1CCc2ccccc2C1 ZINC000019375337 204682937 /nfs/dbraw/zinc/68/29/37/204682937.db2.gz MXIKRFBHUMTDIN-UHFFFAOYSA-N 1 0 364.493 3.198 40 0 FGABRO O=C(CCc1ccc2c(c1)OCO2)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000046375449 205136365 /nfs/dbraw/zinc/13/63/65/205136365.db2.gz HJDPCNRENZIMAK-UHFFFAOYSA-N 1 0 366.461 3.260 40 0 FGABRO Cc1cccc(C(=O)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccco4)[C@H]3C2)n1 ZINC000107746108 206023673 /nfs/dbraw/zinc/02/36/73/206023673.db2.gz WNSPPFIOWBRUPQ-QRFRQXIXSA-N 1 0 353.466 3.356 40 0 FGABRO Cc1ccc(C[N@@H+]2CC[C@]3(CCC[C@@H]3C(=O)NC3CC(F)(F)C3)C2)o1 ZINC000108534782 206034578 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Cc1cc2nc([C@@H]3CCC[N@H+](Cc4ccc(F)c(F)c4)C3)cc(N)n2n1 ZINC000072339782 494153493 /nfs/dbraw/zinc/15/34/93/494153493.db2.gz CGANWPPWLRNVSL-CQSZACIVSA-N 1 0 357.408 3.278 40 0 FGABRO COc1cc2c(cc1OC)[C@@H](C)N([C@@H]1CCC[N@H+](C[C@@H]3CCOC3)C1)CC2 ZINC000072342500 494154602 /nfs/dbraw/zinc/15/46/02/494154602.db2.gz CTQLUGWXNRBAFM-ZIFCJYIRSA-N 1 0 374.525 3.124 40 0 FGABRO Cc1cccc(Cc2cccc([C@H]3CCCN(C(=O)C[NH+](C)C)C3)n2)c1 ZINC000072350118 494156394 /nfs/dbraw/zinc/15/63/94/494156394.db2.gz WLIRIMDEJDTVFY-IBGZPJMESA-N 1 0 351.494 3.248 40 0 FGABRO NC(=O)c1cccc(-c2nccnc2[C@H]2CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000072358584 494157280 /nfs/dbraw/zinc/15/72/80/494157280.db2.gz AWDTVYYWYIEXNU-IBGZPJMESA-N 1 0 373.460 3.017 40 0 FGABRO O=C(C[NH+]1CCCC1)N1CCC[C@@H](c2nccnc2-c2cccc(F)c2)C1 ZINC000072358995 494157315 /nfs/dbraw/zinc/15/73/15/494157315.db2.gz IIRKANLYBPKESS-QGZVFWFLSA-N 1 0 368.456 3.085 40 0 FGABRO COc1ccc(-c2cc(C(=O)N3CCCC[C@H]3CC[NH+](C)C)[nH]n2)cc1 ZINC000072391806 494161833 /nfs/dbraw/zinc/16/18/33/494161833.db2.gz IURAGYOURRYKCM-INIZCTEOSA-N 1 0 356.470 3.032 40 0 FGABRO Fc1ccc(-c2cc(C[N@@H+]3CCc4ccccc4C3)c3nnnn3c2)cc1 ZINC000072392334 494162015 /nfs/dbraw/zinc/16/20/15/494162015.db2.gz MQNURPBEFKDVIV-UHFFFAOYSA-N 1 0 359.408 3.489 40 0 FGABRO CC[C@H](C[NH+]1CCCCC1)NC(=O)Cc1csc(-c2cccnc2)n1 ZINC000012239752 494216917 /nfs/dbraw/zinc/21/69/17/494216917.db2.gz UNLNUGQZZZJTIM-MRXNPFEDSA-N 1 0 358.511 3.128 40 0 FGABRO O=C1CCCN1c1ccc(C[NH+]2CCC(O)(c3ccccc3F)CC2)cc1 ZINC000012240525 494217088 /nfs/dbraw/zinc/21/70/88/494217088.db2.gz IHTFXJNJRFOPCT-UHFFFAOYSA-N 1 0 368.452 3.436 40 0 FGABRO COc1ccc(CN2Cc3ccccc3O[C@H](C[NH+](C)C)C2)cc1OC ZINC000012407689 494230028 /nfs/dbraw/zinc/23/00/28/494230028.db2.gz BZCOURFDRGROFF-GOSISDBHSA-N 1 0 356.466 3.029 40 0 FGABRO COc1ccccc1C[N@@H+]1CCC[C@H](c2cc(N)n3nc(C)cc3n2)C1 ZINC000019129335 494436100 /nfs/dbraw/zinc/43/61/00/494436100.db2.gz NGJINJLYZJVVAZ-HNNXBMFYSA-N 1 0 351.454 3.008 40 0 FGABRO Cc1ccc([C@@]2(O)CC[C@@H]3C[N@@H+](Cc4ccc5c(c4)C[C@@H](C)O5)C[C@@H]32)nc1 ZINC000019216127 494437868 /nfs/dbraw/zinc/43/78/68/494437868.db2.gz YCKBCEYCRKRPFO-KALSDKHNSA-N 1 0 364.489 3.443 40 0 FGABRO Cc1cc(C)n(C[C@H](O)C[N@H+](Cc2ccco2)Cc2cccc(C)c2)n1 ZINC000019234932 494439307 /nfs/dbraw/zinc/43/93/07/494439307.db2.gz WURBKRLTTFIDPC-HXUWFJFHSA-N 1 0 353.466 3.465 40 0 FGABRO Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000019290159 494440866 /nfs/dbraw/zinc/44/08/66/494440866.db2.gz KINPUSIBTDTGEC-QGZVFWFLSA-N 1 0 366.513 3.067 40 0 FGABRO Cn1nccc1C(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)C[N@@H+]2C ZINC000019289143 494441143 /nfs/dbraw/zinc/44/11/43/494441143.db2.gz IGZYRSFNMGYCKH-NSHGMRRFSA-N 1 0 370.472 3.042 40 0 FGABRO COc1ccc(C[NH+]2CCC(c3noc(-c4ccc(=O)[nH]c4)n3)CC2)cc1 ZINC000019555047 494448904 /nfs/dbraw/zinc/44/89/04/494448904.db2.gz OYJZJZWMRJULHN-UHFFFAOYSA-N 1 0 366.421 3.225 40 0 FGABRO C[NH+](C)CCN(Cc1cccnc1)Cc1cccc(Oc2ncccn2)c1 ZINC000019582602 494451499 /nfs/dbraw/zinc/45/14/99/494451499.db2.gz YNDSSPIJWKDKRU-UHFFFAOYSA-N 1 0 363.465 3.228 40 0 FGABRO COCC[NH+]1CCN(Cc2c3cccnc3[nH]c2-c2cccs2)CC1 ZINC000019593424 494452327 /nfs/dbraw/zinc/45/23/27/494452327.db2.gz SSGUUBVKQSXSDA-UHFFFAOYSA-N 1 0 356.495 3.055 40 0 FGABRO CCN(C(=O)[C@H](C)Oc1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000019655391 494452723 /nfs/dbraw/zinc/45/27/23/494452723.db2.gz TXUKNXIMLZLNND-ZDUSSCGKSA-N 1 0 358.404 3.415 40 0 FGABRO Cc1nccn1C[C@H]1CCC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000019656790 494453699 /nfs/dbraw/zinc/45/36/99/494453699.db2.gz ZIPFSOSEGZLZHA-KRWDZBQOSA-N 1 0 353.445 3.429 40 0 FGABRO Cc1ncc(C[N@@H+]2CC[C@H](c3c4cccnc4sc3C(N)=O)C2)s1 ZINC000019702521 494455499 /nfs/dbraw/zinc/45/54/99/494455499.db2.gz LRLOXYFLRFDRST-NSHDSACASA-N 1 0 358.492 3.150 40 0 FGABRO O=C(c1cc(-n2cccn2)ccc1Cl)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000019715120 494457674 /nfs/dbraw/zinc/45/76/74/494457674.db2.gz KUGRMKMCPZYGAH-MRXNPFEDSA-N 1 0 358.873 3.226 40 0 FGABRO COc1ccc(/C=C/C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000023134180 494551819 /nfs/dbraw/zinc/55/18/19/494551819.db2.gz YRZXEMGISZWZOM-LFYBBSHMSA-N 1 0 351.450 3.099 40 0 FGABRO O[C@@H](COCc1ccccc1)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000027530885 494871141 /nfs/dbraw/zinc/87/11/41/494871141.db2.gz DHISJGRVBKTTED-OAQYLSRUSA-N 1 0 374.912 3.035 40 0 FGABRO O=C(Cc1cccnc1)N1CCC[C@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000096047111 494998658 /nfs/dbraw/zinc/99/86/58/494998658.db2.gz MXZAONUWQZMQPU-HXUWFJFHSA-N 1 0 355.507 3.200 40 0 FGABRO CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3cccnc3)CC2)Oc2ccccc21 ZINC000096053263 495000209 /nfs/dbraw/zinc/00/02/09/495000209.db2.gz CLXLNQNUXUEXSA-GOSISDBHSA-N 1 0 365.477 3.119 40 0 FGABRO c1nc2c(n1CC1CC1)[C@H](COCC1CCOCC1)C[N@H+](CC1CC1)C2 ZINC000096068675 495000871 /nfs/dbraw/zinc/00/08/71/495000871.db2.gz QDJTZBDSTWCNFR-IBGZPJMESA-N 1 0 359.514 3.046 40 0 FGABRO Cc1nc(CO[C@@H]2COC3(C2)CC[NH+](Cc2cccnc2)CC3)cs1 ZINC000096106799 495002104 /nfs/dbraw/zinc/00/21/04/495002104.db2.gz PEKJBZOHBVPERI-SFHVURJKSA-N 1 0 359.495 3.187 40 0 FGABRO Cc1cccc(CN2CC[C@@]3(CCC[N@H+](Cc4cccs4)C3)C2=O)n1 ZINC000096224715 495007370 /nfs/dbraw/zinc/00/73/70/495007370.db2.gz MWNUBGQPFGXHDD-HXUWFJFHSA-N 1 0 355.507 3.466 40 0 FGABRO COc1ncccc1C[N@@H+]1CC[C@]2(C1)CCCN(Cc1nccs1)C2 ZINC000096215736 495007874 /nfs/dbraw/zinc/00/78/74/495007874.db2.gz DIQHBGJIMFQGJG-LJQANCHMSA-N 1 0 358.511 3.035 40 0 FGABRO Cc1cccc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2ncccc2F)C3)n1 ZINC000096229070 495008007 /nfs/dbraw/zinc/00/80/07/495008007.db2.gz PQZZJOCUGGGHLP-OAQYLSRUSA-N 1 0 370.472 3.043 40 0 FGABRO [NH3+]C[C@H]1CC[C@H]([C@H](NC(=O)Cc2ccc(F)cc2)c2ccccn2)CC1 ZINC000100749982 495066016 /nfs/dbraw/zinc/06/60/16/495066016.db2.gz LFJUWSOXZKTHRJ-FVJLSDCUSA-N 1 0 355.457 3.386 40 0 FGABRO Cc1nc(CN2CC[C@@H]3OCCC[C@@]3(COc3cccnc3)C2)cs1 ZINC000247922949 496927300 /nfs/dbraw/zinc/92/73/00/496927300.db2.gz AAAFICBANUMLNC-OALUTQOASA-N 1 0 359.495 3.297 40 0 FGABRO Cc1cc(CN2CC3(C2)C[C@H](OCc2csc(C)n2)CS3)no1 ZINC000247948520 496931634 /nfs/dbraw/zinc/93/16/34/496931634.db2.gz XOJYYTGARLJBGP-HNNXBMFYSA-N 1 0 351.497 3.025 40 0 FGABRO CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c1C ZINC000223263616 497034211 /nfs/dbraw/zinc/03/42/11/497034211.db2.gz QMHSLANSMXULGU-OALUTQOASA-N 1 0 371.554 3.054 40 0 FGABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCCOc2ccccc2)CC1 ZINC000224526197 497050039 /nfs/dbraw/zinc/05/00/39/497050039.db2.gz ANEGFIYLDLBKMJ-UHFFFAOYSA-N 1 0 352.478 3.402 40 0 FGABRO Cc1ccnc(NC(=S)NCCNc2cc(C)[nH+]c3ccccc23)n1 ZINC000225215611 497058617 /nfs/dbraw/zinc/05/86/17/497058617.db2.gz MQVNCORNXFHXLV-UHFFFAOYSA-N 1 0 352.467 3.040 40 0 FGABRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000193130392 497309412 /nfs/dbraw/zinc/30/94/12/497309412.db2.gz UVPSKLPNUSQDCM-QAPCUYQASA-N 1 0 352.544 3.429 40 0 FGABRO Cc1ccsc1C[N@H+]1Cc2ccnn2C[C@@H](CNc2ccccn2)C1 ZINC000253598473 497345118 /nfs/dbraw/zinc/34/51/18/497345118.db2.gz BVQAEJKQGAFTAR-INIZCTEOSA-N 1 0 353.495 3.392 40 0 FGABRO O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1 ZINC000257216657 497391969 /nfs/dbraw/zinc/39/19/69/497391969.db2.gz CVOCAOPIVUSTAN-LJQANCHMSA-N 1 0 353.466 3.415 40 0 FGABRO COc1ccc(Oc2cncc(C3CC[NH+]([C@H]4CCOC4)CC3)n2)cc1 ZINC000257228115 497393597 /nfs/dbraw/zinc/39/35/97/497393597.db2.gz FSIUCCVAJMDVAE-INIZCTEOSA-N 1 0 355.438 3.246 40 0 FGABRO Cc1cccc(Nc2cc(C[C@@H]3CCCN(Cc4cc[nH]n4)C3)ncn2)n1 ZINC000257300729 497400818 /nfs/dbraw/zinc/40/08/18/497400818.db2.gz RVLYITXJRKMMSR-INIZCTEOSA-N 1 0 363.469 3.101 40 0 FGABRO C[NH+](C)Cc1ccnc([C@@H]2CCCN2C(=O)C2CCC(F)(F)CC2)n1 ZINC000257297771 497400975 /nfs/dbraw/zinc/40/09/75/497400975.db2.gz RISSFPTVVXZLFZ-HNNXBMFYSA-N 1 0 352.429 3.027 40 0 FGABRO Cc1csc(Nc2nccnc2[C@H]2CCCN(Cc3c[nH]cn3)C2)n1 ZINC000257301808 497401397 /nfs/dbraw/zinc/40/13/97/497401397.db2.gz RZZDUPZLVLOIKY-ZDUSSCGKSA-N 1 0 355.471 3.088 40 0 FGABRO Cc1cccn2cc(C(=O)N3[C@H]4C[C@@]5(C)[C@@H]3CCCC[C@H]5[N@H+](C)C4)nc12 ZINC000257312723 497402824 /nfs/dbraw/zinc/40/28/24/497402824.db2.gz UPGXMZIYSAKIKD-CQSHLORDSA-N 1 0 352.482 3.120 40 0 FGABRO Cn1cc(C[N@@H+]2[C@H](c3ccc(F)cc3)C[C@]3(C)NC(=O)CCCC[C@H]23)cn1 ZINC000257334688 497403222 /nfs/dbraw/zinc/40/32/22/497403222.db2.gz YGZRUOACEUZDND-ZJOUEHCJSA-N 1 0 370.472 3.324 40 0 FGABRO Cc1ncsc1C(=O)N1CCC[C@@H]1c1ccnc(C[NH+]2CCCC2)c1 ZINC000257327192 497403315 /nfs/dbraw/zinc/40/33/15/497403315.db2.gz XAJDHMZINCWJBI-QGZVFWFLSA-N 1 0 356.495 3.420 40 0 FGABRO Cc1ncsc1C(=O)N1CCC[C@H]1c1ccnc(C[NH+]2CCCC2)c1 ZINC000257327191 497403329 /nfs/dbraw/zinc/40/33/29/497403329.db2.gz XAJDHMZINCWJBI-KRWDZBQOSA-N 1 0 356.495 3.420 40 0 FGABRO Cc1cccc(Nc2cnc([C@H]3CCC[N@@H+](Cc4ccnn4C)C3)cn2)n1 ZINC000257331770 497403828 /nfs/dbraw/zinc/40/38/28/497403828.db2.gz XUEZTNOEBQFENA-INIZCTEOSA-N 1 0 363.469 3.037 40 0 FGABRO O=C(C1CC1)N1Cc2ccccc2[C@H](c2nccn2Cc2cccnc2)C1 ZINC000306124494 498736056 /nfs/dbraw/zinc/73/60/56/498736056.db2.gz BRNDCQJKYBZXTA-HXUWFJFHSA-N 1 0 358.445 3.211 40 0 FGABRO Fc1ccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4ccncc4)C2)OC3)cc1 ZINC000306130663 498738494 /nfs/dbraw/zinc/73/84/94/498738494.db2.gz JMLPMSOPVSEZTK-NRFANRHFSA-N 1 0 364.424 3.259 40 0 FGABRO COc1ccc(CN2CCO[C@@]3(CCCC[C@@H]3[NH+]3CCCC3)C2)cc1O ZINC000306137560 498740966 /nfs/dbraw/zinc/74/09/66/498740966.db2.gz QZVBOWIBYPGUCF-SFTDATJTSA-N 1 0 360.498 3.010 40 0 FGABRO COc1ccc(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000408608934 499593166 /nfs/dbraw/zinc/59/31/66/499593166.db2.gz NCEHVVPTAGUBHE-UHFFFAOYSA-N 1 0 350.462 3.358 40 0 FGABRO O=C1C[C@]2(CN1c1ccc(F)cc1)COCC[N@H+](Cc1cccc(F)c1)C2 ZINC000585104967 507570587 /nfs/dbraw/zinc/57/05/87/507570587.db2.gz WRMPLBDBNRMKRB-NRFANRHFSA-N 1 0 372.415 3.220 40 0 FGABRO c1nc(Nc2cncc(CC[C@@H]3CCC[NH2+]3)n2)sc1-c1ccccc1 ZINC000585262967 507581796 /nfs/dbraw/zinc/58/17/96/507581796.db2.gz GHIMGOIWJHHWGX-HNNXBMFYSA-N 1 0 351.479 3.450 40 0 FGABRO OC[C@@H]1[C@H](O)[C@@H](c2ccc(Cl)cc2)C[N@@H+]1Cc1ccc(Cl)cc1 ZINC000585292375 507587087 /nfs/dbraw/zinc/58/70/87/507587087.db2.gz IFFSUVNBOVOYBU-KZNAEPCWSA-N 1 0 352.261 3.315 40 0 FGABRO O=C(COc1ccc(Cl)cc1)N1CC[NH+](C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019888746 526951230 /nfs/dbraw/zinc/95/12/30/526951230.db2.gz NFKLZXLSUYXVJK-IXDOHACOSA-N 1 0 360.885 3.075 40 0 FGABRO COc1cc2c[n+]3c(c(C)c2cc1OC)-c1cc2c(cc1CC3)OCO2 ZINC000001562608 204012867 /nfs/dbraw/zinc/01/28/67/204012867.db2.gz HCECJQIJKAQINT-UHFFFAOYSA-N 1 0 350.394 3.405 40 0 FGABRO CC[N@@H+]1CC[C@@](O)(c2ccc(OC)cc2)[C@H](C(=O)c2ccc(OC)cc2)C1 ZINC000001628524 204014867 /nfs/dbraw/zinc/01/48/67/204014867.db2.gz KMCQMCWQIHWGTK-RBBKRZOGSA-N 1 0 369.461 3.116 40 0 FGABRO CC(C)C[NH2+][C@@H](c1ccc2c(c1)OCO2)[C@H](O)c1ccc2c(c1)OCO2 ZINC000001767503 204018072 /nfs/dbraw/zinc/01/80/72/204018072.db2.gz OGUAXMGIUWGECD-VQTJNVASSA-N 1 0 357.406 3.164 40 0 FGABRO Cc1cc2nc(C3CC[NH+](CC(=O)N4CCCCC4)CC3)[nH]c2cc1C ZINC000035292243 204230050 /nfs/dbraw/zinc/23/00/50/204230050.db2.gz TXJPTXSIZAXBLF-UHFFFAOYSA-N 1 0 354.498 3.372 40 0 FGABRO COc1ccc(CC[NH2+]C[C@H](O)CSc2cccc(C)c2)cc1OC ZINC000008628052 204338073 /nfs/dbraw/zinc/33/80/73/204338073.db2.gz DILPEEZGAVOXDI-KRWDZBQOSA-N 1 0 361.507 3.298 40 0 FGABRO CCCOc1cc2c(cc1C[N@@H+]1CC[C@@](O)(c3ccccc3)C1)OCO2 ZINC000012364340 204455265 /nfs/dbraw/zinc/45/52/65/204455265.db2.gz ITTZQXACBJGTLW-NRFANRHFSA-N 1 0 355.434 3.298 40 0 FGABRO O=C(NC1CC[NH+](CC2(c3ccc(Cl)cc3)CCC2)CC1)c1ccn[nH]1 ZINC000019332837 204677541 /nfs/dbraw/zinc/67/75/41/204677541.db2.gz CPEWZJLJEGRJDB-UHFFFAOYSA-N 1 0 372.900 3.379 40 0 FGABRO O=C(c1ccccc1)[C@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@]1(O)c1ccccc1 ZINC000054073041 205198041 /nfs/dbraw/zinc/19/80/41/205198041.db2.gz OXNBIVVBRPSTQX-XJUOHMSHSA-N 1 0 365.473 3.258 40 0 FGABRO CN1CCn2c(-c3ccccc3)cnc2C12CC[NH+](Cc1ccncc1)CC2 ZINC000096036988 205804334 /nfs/dbraw/zinc/80/43/34/205804334.db2.gz IOYQKQXVHAPDAO-UHFFFAOYSA-N 1 0 373.504 3.382 40 0 FGABRO COCCN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](Cc1ccoc1)CC2 ZINC000096061340 205815259 /nfs/dbraw/zinc/81/52/59/205815259.db2.gz PPTQWJAQUIMIEH-FQEVSTJZSA-N 1 0 368.477 3.277 40 0 FGABRO c1cc(C[NH+]2CCC3(C[C@@H](OCC4CCOCC4)CO3)CC2)cs1 ZINC000096106681 205823971 /nfs/dbraw/zinc/82/39/71/205823971.db2.gz HFBNUDCTPCQQQU-GOSISDBHSA-N 1 0 351.512 3.315 40 0 FGABRO COc1ccc(CN2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC000107746908 206023481 /nfs/dbraw/zinc/02/34/81/206023481.db2.gz LATIFVFCHPNAAX-NQIIRXRSSA-N 1 0 356.441 3.172 40 0 FGABRO CN(C)C(=O)N[C@H]1CCOC2(CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000108527951 206033066 /nfs/dbraw/zinc/03/30/66/206033066.db2.gz RNWXETWDPUYXMT-INIZCTEOSA-N 1 0 365.905 3.125 40 0 FGABRO Cc1c(F)cccc1C[N@@H+]1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 ZINC000108527675 206033304 /nfs/dbraw/zinc/03/33/04/206033304.db2.gz YAHNMGIZIIJLFF-SFTDATJTSA-N 1 0 355.457 3.004 40 0 FGABRO O=c1c(C2CCCCC2)ccc2n1C[C@H]1C[C@@H]2C[N@@H+](C2CCOCC2)C1 ZINC000008296324 206216350 /nfs/dbraw/zinc/21/63/50/206216350.db2.gz TYFJGMRRVOQUEK-FUHWJXTLSA-N 1 0 356.510 3.494 40 0 biogenic,in-vitro FGABRO COc1cc2cc(C[NH2+]Cc3ccc(Cl)cc3)c(=O)[nH]c2cc1OC ZINC000013999243 206307020 /nfs/dbraw/zinc/30/70/20/206307020.db2.gz SFDFPTDKWMTSKE-UHFFFAOYSA-N 1 0 358.825 3.489 40 0 FGABRO CC(C)n1nnnc1[C@@H](c1ccc(F)cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000019454640 206326032 /nfs/dbraw/zinc/32/60/32/206326032.db2.gz KIVYCCZHJVYDQL-LJQANCHMSA-N 1 0 372.492 3.043 40 0 FGABRO CCOC[C@@]1(C[NH3+])[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218542198 206371210 /nfs/dbraw/zinc/37/12/10/206371210.db2.gz XFDUMIFOQNTHGJ-HKBOAZHASA-N 1 0 373.518 3.170 40 0 FGABRO Cc1cc2cc(C(=O)N3CCO[C@H](c4cc(N)cc(C)[nH+]4)C3)ccc2o1 ZINC000257272270 206612740 /nfs/dbraw/zinc/61/27/40/206612740.db2.gz NBSLSNBSRZWXRO-IBGZPJMESA-N 1 0 351.406 3.241 40 0 FGABRO CCc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(N[C@H](C)CC)[nH+]1 ZINC000328956517 132371757 /nfs/dbraw/zinc/37/17/57/132371757.db2.gz AGRVVDYZUQZLOJ-OAHLLOKOSA-N 1 0 368.525 3.461 40 0 FGABRO CC(C)c1cc(N2Cc3ccccc3C(C)(C)C2)nc(NCCCO)[nH+]1 ZINC000329070940 132373333 /nfs/dbraw/zinc/37/33/33/132373333.db2.gz ZLSKOZIBMPRFSH-UHFFFAOYSA-N 1 0 354.498 3.114 40 0 FGABRO Cc1cccc2cc(CNc3ccc(N4CC[NH+](C)CC4)cc3)c(=O)[nH]c12 ZINC000072396111 136144761 /nfs/dbraw/zinc/14/47/61/136144761.db2.gz PGPVUJLKCNGQCD-UHFFFAOYSA-N 1 0 362.477 3.200 40 0 FGABRO COc1cccc(CN2CCN(C(=O)Cc3ccccc3F)[C@@H](C)C2)c1 ZINC000019575590 263374029 /nfs/dbraw/zinc/37/40/29/263374029.db2.gz NJCWPSMOPZCWNL-INIZCTEOSA-N 1 0 356.441 3.110 40 0 FGABRO COc1cccc(CN2CCN(C(=O)Cc3ccc(F)cc3)[C@@H](C)C2)c1 ZINC000019575586 263374830 /nfs/dbraw/zinc/37/48/30/263374830.db2.gz GCZLDQPWDJBQFZ-INIZCTEOSA-N 1 0 356.441 3.110 40 0 FGABRO CCCCOC(=O)c1ccc(NC(=O)CC[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000031924579 493966187 /nfs/dbraw/zinc/96/61/87/493966187.db2.gz KWVRQBPNVMQZIP-MRXNPFEDSA-N 1 0 362.470 3.083 40 0 FGABRO COCCOc1cccc(C[N@@H+]2C[C@@H]3ON=C(c4ccc(C)cc4)[C@H]3C2)c1 ZINC000072343295 494154663 /nfs/dbraw/zinc/15/46/63/494154663.db2.gz XATJFCRVNCOWKF-SFTDATJTSA-N 1 0 366.461 3.255 40 0 FGABRO COc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)cc1OC ZINC000012089065 494203588 /nfs/dbraw/zinc/20/35/88/494203588.db2.gz MJAFMEOVFPKCGT-VSOVRNOCSA-N 1 0 368.477 3.219 40 0 FGABRO C[C@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(c2ccc3c(c2)OCO3)CC1 ZINC000012113987 494205236 /nfs/dbraw/zinc/20/52/36/494205236.db2.gz UJUJZXXDKOFPPD-HOTGVXAUSA-N 1 0 358.482 3.384 40 0 FGABRO CCc1c(C)nc2cc(-c3cc(C)on3)nn2c1N1CC[NH+](C(C)C)CC1 ZINC000012276306 494218912 /nfs/dbraw/zinc/21/89/12/494218912.db2.gz UKPGLGXRBUXZST-UHFFFAOYSA-N 1 0 368.485 3.094 40 0 FGABRO COc1ccc([C@@H](O)C[NH+]2CCC(O)(c3ccccc3C)CC2)cc1OC ZINC000012292406 494219022 /nfs/dbraw/zinc/21/90/22/494219022.db2.gz PLJNUSNFLPWVPW-IBGZPJMESA-N 1 0 371.477 3.029 40 0 FGABRO Cc1cc(C(=O)NCC[NH+]2CCC(O)(c3ccc(C)cc3)CC2)cs1 ZINC000012291126 494219166 /nfs/dbraw/zinc/21/91/66/494219166.db2.gz IHPYRHBZOQUDJE-UHFFFAOYSA-N 1 0 358.507 3.078 40 0 FGABRO COc1ccc([C@@H](O)C[NH+]2CCC(O)(c3cccc(C)c3)CC2)cc1OC ZINC000012292412 494219199 /nfs/dbraw/zinc/21/91/99/494219199.db2.gz QCAFHRJMHFRTIJ-IBGZPJMESA-N 1 0 371.477 3.029 40 0 FGABRO O=C(N[C@H](c1nccs1)[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccccn1 ZINC000012365840 494227641 /nfs/dbraw/zinc/22/76/41/494227641.db2.gz SEYSFPTUOOVIPS-WBVHZDCISA-N 1 0 356.495 3.131 40 0 FGABRO COc1cccc(C[NH+]2CCC([C@@H](NC(C)=O)c3ccccn3)CC2)c1 ZINC000019020554 494434342 /nfs/dbraw/zinc/43/43/42/494434342.db2.gz OBFHEZHQHIXETK-OAQYLSRUSA-N 1 0 353.466 3.180 40 0 FGABRO COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCC[N@H+](Cc4ccccn4)[C@@H]32)cc1 ZINC000019019375 494434674 /nfs/dbraw/zinc/43/46/74/494434674.db2.gz BYYHEMUXIIEEGO-YPAWHYETSA-N 1 0 365.477 3.069 40 0 FGABRO Cc1ccc(CC(=O)N2CCC[C@H]3[NH2+]C[C@H](c4ccc(F)cc4)[C@H]32)cc1 ZINC000019209783 494438169 /nfs/dbraw/zinc/43/81/69/494438169.db2.gz WJYGHJMGIXMTKC-KCZVDYSFSA-N 1 0 352.453 3.423 40 0 FGABRO O=c1cc(-c2ccncc2)nc([C@H]2CCC[N@@H+](Cc3ccccc3F)C2)[nH]1 ZINC000019349027 494443837 /nfs/dbraw/zinc/44/38/37/494443837.db2.gz TURXVACHTATUBW-KRWDZBQOSA-N 1 0 364.424 3.351 40 0 FGABRO C[C@H]1Cc2cc(C[NH+]3CCC(c4nn(C)c5nccnc45)CC3)ccc2O1 ZINC000019498182 494446603 /nfs/dbraw/zinc/44/66/03/494446603.db2.gz CIACCCUCEKXEQM-AWEZNQCLSA-N 1 0 363.465 3.066 40 0 FGABRO CCn1ncc(CN2CC[NH+](CC3(c4ccc(C)cc4)CC3)CC2)c1C ZINC000019523969 494447111 /nfs/dbraw/zinc/44/71/11/494447111.db2.gz PSEJNRIZLZNOMK-UHFFFAOYSA-N 1 0 352.526 3.369 40 0 FGABRO CCOc1cc(C[N@@H+]2CCC[C@@H](c3nc(CC)cc(=O)[nH]3)C2)ccc1OC ZINC000019522504 494447842 /nfs/dbraw/zinc/44/78/42/494447842.db2.gz DAPXGPFIEBHXTK-MRXNPFEDSA-N 1 0 371.481 3.119 40 0 FGABRO CCN1CC[N@H+](CC2CC2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527442 494448113 /nfs/dbraw/zinc/44/81/13/494448113.db2.gz IYDVYPGDFGOZTB-JOCHJYFZSA-N 1 0 363.505 3.481 40 0 FGABRO Cc1cc2nc([C@@H]3CCC[N@H+](Cc4cc(C)c(O)c(C)c4)C3)cc(N)n2n1 ZINC000019569996 494449769 /nfs/dbraw/zinc/44/97/69/494449769.db2.gz YHEBFVWHMBAVIJ-QGZVFWFLSA-N 1 0 365.481 3.322 40 0 FGABRO C[N@@H+]1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)CCn1cccn1 ZINC000019589078 494451375 /nfs/dbraw/zinc/45/13/75/494451375.db2.gz JTMNRENTQQXHRN-VWPQPMDRSA-N 1 0 366.509 3.142 40 0 FGABRO C[N@@H+]1CCc2nc([C@@H]3CCCCN3C(=O)CCc3ccccc3)ncc2C1 ZINC000019590288 494451548 /nfs/dbraw/zinc/45/15/48/494451548.db2.gz ATBCUTLYEUHENS-FQEVSTJZSA-N 1 0 364.493 3.151 40 0 FGABRO C[N@@H+]1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)c1ccc(=O)oc1 ZINC000019590192 494451798 /nfs/dbraw/zinc/45/17/98/494451798.db2.gz JLKSVNGSLMNXDC-SFHLNBCPSA-N 1 0 366.461 3.122 40 0 FGABRO COCCc1ncc(C[N@@H+]2CCC[C@H](COc3ccc(F)cc3)C2)cn1 ZINC000019658582 494453638 /nfs/dbraw/zinc/45/36/38/494453638.db2.gz ADKBNFXKDLJJQF-INIZCTEOSA-N 1 0 359.445 3.096 40 0 FGABRO CCN(C(=O)Cn1c(CC(C)C)nc2ccccc21)C1CC[NH+](C)CC1 ZINC000019666619 494454018 /nfs/dbraw/zinc/45/40/18/494454018.db2.gz CWNZUEUVCRSXDR-UHFFFAOYSA-N 1 0 356.514 3.178 40 0 FGABRO CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCC[N@@H+]2C2CCCCC2)n1 ZINC000019709793 494456302 /nfs/dbraw/zinc/45/63/02/494456302.db2.gz ZVBMGWLGWQEAPL-SFHVURJKSA-N 1 0 359.518 3.356 40 0 FGABRO COc1cc(CN2CC[NH+]([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cc(OC)c1OC ZINC000019789477 494459729 /nfs/dbraw/zinc/45/97/29/494459729.db2.gz LZSQOPTVZODGAM-CGTJXYLNSA-N 1 0 360.498 3.019 40 0 FGABRO CCOC[C@@H](C[NH+](CC)CC)N(CC)CC(=O)Nc1c(C)cccc1C ZINC000022581401 494528003 /nfs/dbraw/zinc/52/80/03/494528003.db2.gz DIWYWVXXZQKSHS-LJQANCHMSA-N 1 0 363.546 3.311 40 0 FGABRO CC(=O)N1CCn2c(-c3ccccc3)cnc2C12CC[NH+](CC1CC1)CC2 ZINC000096036944 494997742 /nfs/dbraw/zinc/99/77/42/494997742.db2.gz HXHAXTMBTKCMPL-UHFFFAOYSA-N 1 0 364.493 3.113 40 0 FGABRO COc1ccc(C[NH+]2CCC3(CC2)CN(Cc2nccs2)CCO3)cc1 ZINC000096048981 494999396 /nfs/dbraw/zinc/99/93/96/494999396.db2.gz VLPINCUWQWQPLP-UHFFFAOYSA-N 1 0 373.522 3.019 40 0 FGABRO O=C(CC1CCC2(CC1)CC[NH+](Cc1ccoc1)CC2)N1CCOCC1 ZINC000096049288 495000066 /nfs/dbraw/zinc/00/00/66/495000066.db2.gz LGPCMFFYGFCPKQ-UHFFFAOYSA-N 1 0 360.498 3.301 40 0 FGABRO COc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(F)c4)C3)C2)cc1 ZINC000096050728 495000321 /nfs/dbraw/zinc/00/03/21/495000321.db2.gz BDUCPEYQZFOXIJ-OAQYLSRUSA-N 1 0 354.425 3.463 40 0 FGABRO Cn1ccnc1CN[C@@H]1CC2(CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000096079039 495000601 /nfs/dbraw/zinc/00/06/01/495000601.db2.gz NBCJOGDDSFCUTR-HXUWFJFHSA-N 1 0 350.510 3.398 40 0 FGABRO Fc1cccc(C[N@@H+]2CCC[C@]3(C[C@H](CNc4ncccn4)CO3)C2)c1 ZINC000096075791 495001220 /nfs/dbraw/zinc/00/12/20/495001220.db2.gz GTDIKBTVPGVICA-XLIONFOSSA-N 1 0 356.445 3.099 40 0 FGABRO Cc1ccc(C[N@@H+]2CC[C@H]3C[C@@H](C(=O)Nc4cccnc4)O[C@H]3C2)s1 ZINC000096065491 495001292 /nfs/dbraw/zinc/00/12/92/495001292.db2.gz WJJDPDNFVBIZSD-WBAXXEDZSA-N 1 0 357.479 3.070 40 0 FGABRO COCCn1c(C(=O)NCC[NH+](C)C)cc2c1c1ccccc1n2C(C)C ZINC000096146344 495004412 /nfs/dbraw/zinc/00/44/12/495004412.db2.gz DTNYOFQAARFLSH-UHFFFAOYSA-N 1 0 370.497 3.115 40 0 FGABRO Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@H+](Cc3nccs3)C[C@H]21 ZINC000096145669 495004982 /nfs/dbraw/zinc/00/49/82/495004982.db2.gz UBURKPNXHCWEQO-HIFRSBDPSA-N 1 0 354.454 3.454 40 0 FGABRO COC[C@@H]1CC2(C[N@@H+]1C)CCN(C(=O)c1ccc(F)c(Cl)c1)CC2 ZINC000096207816 495006404 /nfs/dbraw/zinc/00/64/04/495006404.db2.gz JSODJDMRBXNRTH-AWEZNQCLSA-N 1 0 354.853 3.052 40 0 FGABRO CCOC[C@@H]1CCC2(CCN(C(=O)c3cc(C)c(C)s3)CC2)[N@@H+]1C ZINC000096207262 495006615 /nfs/dbraw/zinc/00/66/15/495006615.db2.gz ZFOTWBNUNDFGLM-INIZCTEOSA-N 1 0 350.528 3.470 40 0 FGABRO Cc1ccc(CN2CCO[C@@]3(CCC[N@H+](Cc4ccccn4)C3)C2)s1 ZINC000096226741 495007858 /nfs/dbraw/zinc/00/78/58/495007858.db2.gz WGLHHNSNKPXSTC-HXUWFJFHSA-N 1 0 357.523 3.319 40 0 FGABRO O=C(c1ccc2cc[nH]c2c1)N1CCC[C@@]2(C1)COCC[N@H+](CC1CC1)C2 ZINC000096228791 495007911 /nfs/dbraw/zinc/00/79/11/495007911.db2.gz LGSLXNBGEBFELV-JOCHJYFZSA-N 1 0 367.493 3.133 40 0 FGABRO CC(C)(C)OC(=O)N[C@H]1CCN([C@H](C[NH3+])c2ccc(C(F)(F)F)cc2)C1 ZINC000101039236 495067527 /nfs/dbraw/zinc/06/75/27/495067527.db2.gz ASGBDICQONEGBH-LSDHHAIUSA-N 1 0 373.419 3.304 40 0 FGABRO c1ccc(C[N@@H+]2C[C@@H]3CN(C4CC[NH+](Cc5ccccc5)CC4)[C@@H]3C2)cc1 ZINC000248135668 496959741 /nfs/dbraw/zinc/95/97/41/496959741.db2.gz ZPFGVAAOABTWTR-ISKFKSNPSA-N 1 0 361.533 3.467 40 0 FGABRO COc1ccc(NC(=S)NCCC[NH+]2CCCCC2)c2cccnc12 ZINC000225411753 497061362 /nfs/dbraw/zinc/06/13/62/497061362.db2.gz KTFRZVJRJKPAJF-UHFFFAOYSA-N 1 0 358.511 3.406 40 0 FGABRO O=C(C[NH+]1CCCC1)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1 ZINC000257216656 497392246 /nfs/dbraw/zinc/39/22/46/497392246.db2.gz CVOCAOPIVUSTAN-IBGZPJMESA-N 1 0 353.466 3.415 40 0 FGABRO C[NH+](C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2cccnc2)CC1 ZINC000257237076 497394024 /nfs/dbraw/zinc/39/40/24/497394024.db2.gz HFBNROMBRVZSAM-SFGWALBWSA-N 1 0 366.509 3.245 40 0 FGABRO CCCCn1cc(CN2CCC[C@@H]2c2nccc(C[NH+](C)C)n2)c(C)n1 ZINC000257250164 497394393 /nfs/dbraw/zinc/39/43/93/497394393.db2.gz JLHZJNAEVYSNFI-LJQANCHMSA-N 1 0 356.518 3.180 40 0 FGABRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccnc(N(C)C)c2)cc1CO ZINC000257266788 497395985 /nfs/dbraw/zinc/39/59/85/497395985.db2.gz MENUXHXZRJMWLS-LJQANCHMSA-N 1 0 355.482 3.376 40 0 FGABRO [NH3+]Cc1cn(-c2ccccc2C(=O)NCc2cccc(C(F)(F)F)c2)cn1 ZINC000257279319 497397608 /nfs/dbraw/zinc/39/76/08/497397608.db2.gz OGAYIMGHPSGDFQ-UHFFFAOYSA-N 1 0 374.366 3.280 40 0 FGABRO Cc1n[nH]cc1CN1CCCC[C@@H]1c1cc(Nc2ncccn2)nc(C)n1 ZINC000257277259 497397676 /nfs/dbraw/zinc/39/76/76/497397676.db2.gz NXCKNJISGXYTQU-QGZVFWFLSA-N 1 0 364.457 3.077 40 0 FGABRO C[NH+](C)Cc1cc([C@H]2CCCN2C(=O)CCOc2ccccc2)ccn1 ZINC000257299332 497400302 /nfs/dbraw/zinc/40/03/02/497400302.db2.gz RPOZQWBTUHJODF-HXUWFJFHSA-N 1 0 353.466 3.276 40 0 FGABRO Cc1nc2cc([C@H]3CCCC[NH2+]3)nn2c(C)c1CCC(=O)NC(C)(C)C ZINC000257334826 497403463 /nfs/dbraw/zinc/40/34/63/497403463.db2.gz YHMXOWLWGOJLFK-MRXNPFEDSA-N 1 0 357.502 3.008 40 0 FGABRO Cc1cccc(C[N@@H+]2C[C@@H]3[C@@H](C2)N(Cc2ccccn2)C(=O)c2cccn23)c1 ZINC000306123397 498736190 /nfs/dbraw/zinc/73/61/90/498736190.db2.gz AMAWWDVYRWPEMD-FGZHOGPDSA-N 1 0 372.472 3.273 40 0 FGABRO COCCn1ccnc1[C@@H]1CN(Cc2nccs2)Cc2ccccc21 ZINC000306124100 498736970 /nfs/dbraw/zinc/73/69/70/498736970.db2.gz BGDHMPQXDPCTQJ-QGZVFWFLSA-N 1 0 354.479 3.134 40 0 FGABRO Cc1ccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4cccnc4)C2)OC3)cc1 ZINC000306128478 498737965 /nfs/dbraw/zinc/73/79/65/498737965.db2.gz HBFCMTMGYPKPJF-QFIPXVFZSA-N 1 0 360.461 3.428 40 0 FGABRO c1csc(-c2cnc3n2C[C@]2(CC[N@@H+](Cc4ccccn4)C2)OC3)c1 ZINC000306135589 498740329 /nfs/dbraw/zinc/74/03/29/498740329.db2.gz OVGUWQZTWAXCAR-LJQANCHMSA-N 1 0 352.463 3.182 40 0 FGABRO Cc1cc(F)ccc1Nc1cc(-c2ccncc2)nc(NCC[NH+](C)C)n1 ZINC000329007569 499013318 /nfs/dbraw/zinc/01/33/18/499013318.db2.gz LKTGIZKPUSRWJL-UHFFFAOYSA-N 1 0 366.444 3.125 40 0 FGABRO Cc1cc(Nc2cc(-c3cccnc3)nc(NCC[NH+](C)C)n2)ccc1F ZINC000329023500 499018313 /nfs/dbraw/zinc/01/83/13/499018313.db2.gz OUGAORSVMCNQSC-UHFFFAOYSA-N 1 0 366.444 3.125 40 0 FGABRO Cc1ccc(Nc2cc(C3CC3)nc(N[C@@H](C)CO)n2)cc1C(F)(F)F ZINC000329047669 499025044 /nfs/dbraw/zinc/02/50/44/499025044.db2.gz UGHHCEXYEVNSCE-NSHDSACASA-N 1 0 366.387 3.061 40 0 FGABRO COc1ccc(CCC(=O)N2CCC[C@@]3(CCC[N@@H+]3C)CC2)c(OC)c1 ZINC000585100173 507566700 /nfs/dbraw/zinc/56/67/00/507566700.db2.gz HCEWXCVUJPJAIA-NRFANRHFSA-N 1 0 360.498 3.113 40 0 FGABRO Cc1cccc(OC[C@@H](O)C[NH2+]Cc2cc3cc(C)cc(C)c3[nH]c2=O)c1 ZINC000585284290 507584638 /nfs/dbraw/zinc/58/46/38/507584638.db2.gz JLZNDKODRFGQSI-IBGZPJMESA-N 1 0 366.461 3.395 40 0 FGABRO CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2C[N@H+](C3CCCC3)C[C@H]21 ZINC000514288566 560034558 /nfs/dbraw/zinc/03/45/58/560034558.db2.gz ACEKPDATJYYAEZ-ZBFHGGJFSA-N 1 0 354.372 3.165 40 0 biogenic,in-vitro FGABRO CC(C)[C@H](CO)Nc1nc(NCc2ccc(Cl)cc2)cc(C2CC2)[nH+]1 ZINC000329054764 203848694 /nfs/dbraw/zinc/84/86/94/203848694.db2.gz VLEQJTCFYBODAI-KRWDZBQOSA-N 1 0 360.889 3.470 40 0 FGABRO CCC[NH2+]C[C@H](O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1 ZINC000001853520 204020402 /nfs/dbraw/zinc/02/04/02/204020402.db2.gz KRBRHCLLOOCWQF-INIZCTEOSA-N 1 0 353.418 3.199 40 0 in-man FGABRO CC(C)C(=[NH2+])N[C@@H](NC(=O)c1ccc(F)cc1)C(Cl)(Cl)Cl ZINC000003109677 204078674 /nfs/dbraw/zinc/07/86/74/204078674.db2.gz YFBJGKPCQRRASC-LBPRGKRZSA-N 1 0 354.640 3.475 40 0 FGABRO CCOC(=O)[C@@H]1C(c2ccccc2Cl)[C@@H](C(=O)OCC)[C@@H](C)[NH2+][C@@H]1C ZINC000005328095 204203248 /nfs/dbraw/zinc/20/32/48/204203248.db2.gz NEWAJILYNWSANI-MPTQWLOMSA-N 1 0 367.873 3.162 40 0 FGABRO O=C(/C=C/c1ccc2c(c1)OCO2)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000008429960 204330954 /nfs/dbraw/zinc/33/09/54/204330954.db2.gz YHRAPMTYDWVPEF-CSKARUKUSA-N 1 0 364.445 3.341 40 0 FGABRO CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1N(C(=O)OC(C)(C)C)C(C)C ZINC000079410319 205066945 /nfs/dbraw/zinc/06/69/45/205066945.db2.gz HPAOBEHLYZCSDI-JYJNAYRXSA-N 1 0 355.523 3.043 40 0 FGABRO COc1cccc(O[C@H](C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000044872868 205113404 /nfs/dbraw/zinc/11/34/04/205113404.db2.gz BIJGENDWPRPPCK-QGZVFWFLSA-N 1 0 368.477 3.375 40 0 FGABRO CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC[C@](O)(c2ccc(F)cc2)CC1 ZINC000060016380 205284121 /nfs/dbraw/zinc/28/41/21/205284121.db2.gz ZLPHSYRSKUEUAT-TZIWHRDSSA-N 1 0 362.489 3.290 40 0 FGABRO Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3OCCN(Cc4cccnc4)[C@H]3C2)c1 ZINC000108526856 206032619 /nfs/dbraw/zinc/03/26/19/206032619.db2.gz QBETYZDBRIAHCL-SFTDATJTSA-N 1 0 355.457 3.004 40 0 FGABRO Cc1c(C(=O)N2CCCC[C@@H]2C)c(C(F)(F)F)nn1C1CC[NH+](C)CC1 ZINC000049362631 206086592 /nfs/dbraw/zinc/08/65/92/206086592.db2.gz ZNGJKMYQLJPENF-LBPRGKRZSA-N 1 0 372.435 3.492 40 0 FGABRO CN1CCC([N@H+]2C[C@H]3C[C@H](Cn4c(=O)c(-c5cccs5)ccc43)C2)CC1 ZINC000004237304 206172690 /nfs/dbraw/zinc/17/26/90/206172690.db2.gz MSCTWVKFALLTQY-JKSUJKDBSA-N 1 0 369.534 3.090 40 0 biogenic,in-vitro FGABRO CCOc1c(Br)cc(CNCC[NH+](CC)CC)cc1OC ZINC000022076020 206327649 /nfs/dbraw/zinc/32/76/49/206327649.db2.gz RUWPPARXBUCEAM-UHFFFAOYSA-N 1 0 359.308 3.288 40 0 FGABRO COc1cccc([C@H]2C[N@H+](Cc3ccccc3)[C@@H]3CCCC(=O)N[C@@H]32)c1 ZINC000212420147 206341948 /nfs/dbraw/zinc/34/19/48/206341948.db2.gz WPDDQIBJIMWRFP-KCZVDYSFSA-N 1 0 350.462 3.332 40 0 FGABRO C[C@@H]1Cc2ccccc2CN1c1cc(NCC[NH+](C)C)nc(C2CC2)n1 ZINC000328996717 132372451 /nfs/dbraw/zinc/37/24/51/132372451.db2.gz JMKUWUGJFDKADU-OAHLLOKOSA-N 1 0 351.498 3.279 40 0 FGABRO Cc1ccccc1N1CC[NH+](C[C@@H](O)c2ccc3c(c2)C[C@H](C)O3)CC1 ZINC000057823061 136130221 /nfs/dbraw/zinc/13/02/21/136130221.db2.gz IMNOYRGGLCBYRV-LAUBAEHRSA-N 1 0 352.478 3.174 40 0 FGABRO O[C@@H](c1cccnc1)c1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000072340644 136144569 /nfs/dbraw/zinc/14/45/69/136144569.db2.gz HSQRQOAXXPSVBI-QHCPKHFHSA-N 1 0 359.473 3.486 40 0 FGABRO COc1cc(C[NH2+]Cc2ccccc2Cl)cc(Cl)c1OCC(N)=O ZINC000008470042 263355003 /nfs/dbraw/zinc/35/50/03/263355003.db2.gz FTSQYJOJPNYDMZ-UHFFFAOYSA-N 1 0 369.248 3.156 40 0 FGABRO CC[C@@H]1C[C@H]2C[N@@H+]3CCc4c5cc(OC)ccc5[nH]c4[C@@](C(=O)OC)(C2)[C@H]13 ZINC000002008830 493800073 /nfs/dbraw/zinc/80/00/73/493800073.db2.gz MMAYTCMMKJYIAM-WNSHACJQSA-N 1 0 368.477 3.264 40 0 FGABRO C[n+]1ccc(/C=C/c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)cc1 ZINC000004932924 493900621 /nfs/dbraw/zinc/90/06/21/493900621.db2.gz JZLPWWIUVXBVIM-UHFFFAOYSA-N 1 0 359.449 3.487 40 0 FGABRO COC(=O)c1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000030946485 493914247 /nfs/dbraw/zinc/91/42/47/493914247.db2.gz OBBYTMZDPCAYJL-QGZVFWFLSA-N 1 0 370.424 3.463 40 0 FGABRO C[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc(I)c1 ZINC000031772640 493960206 /nfs/dbraw/zinc/96/02/06/493960206.db2.gz YPGSEFDICUTVAP-INIZCTEOSA-N 1 0 367.230 3.457 40 0 FGABRO C[N@@H+]1CCCC[C@@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216417 494144311 /nfs/dbraw/zinc/14/43/11/494144311.db2.gz YQRHMXNHUSYCBS-QGZVFWFLSA-N 1 0 360.502 3.296 40 0 FGABRO COc1ccc(-c2cccc([C@@H]3CCC[N@H+](CC(=O)N(C)C)C3)n2)cc1 ZINC000072349512 494156265 /nfs/dbraw/zinc/15/62/65/494156265.db2.gz ATTLXBFZMQSXEE-QGZVFWFLSA-N 1 0 353.466 3.025 40 0 FGABRO Cc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)C(C)(C)[NH3+])C3)n2)c1 ZINC000072363072 494158241 /nfs/dbraw/zinc/15/82/41/494158241.db2.gz YICOZZKRCFKCEZ-OAHLLOKOSA-N 1 0 354.454 3.021 40 0 FGABRO COc1cccc([C@@H]2C[NH2+]C[C@H]2c2cc(=O)[nH]c(NC3CCCC3)n2)c1 ZINC000012163732 494210140 /nfs/dbraw/zinc/21/01/40/494210140.db2.gz ZFUPAHHGFWTLBR-DLBZAZTESA-N 1 0 354.454 3.016 40 0 FGABRO COc1cc2c(cc1OC)[C@H](C)[N@@H+]([C@H]1CCCN(C(=O)C(C)C)C1)CC2 ZINC000012232941 494215916 /nfs/dbraw/zinc/21/59/16/494215916.db2.gz BBANAOAFNNVANU-RDJZCZTQSA-N 1 0 360.498 3.270 40 0 FGABRO CCn1ncc(C[NH+]2CCC(c3nnsc3-c3cc(C)no3)CC2)c1C ZINC000012224001 494216273 /nfs/dbraw/zinc/21/62/73/494216273.db2.gz XYYKIKWIDSESNU-UHFFFAOYSA-N 1 0 372.498 3.406 40 0 FGABRO COc1ccc([C@H](O)C[NH+]2CCC(O)(c3cccc(C)c3)CC2)cc1OC ZINC000012292413 494219604 /nfs/dbraw/zinc/21/96/04/494219604.db2.gz QCAFHRJMHFRTIJ-LJQANCHMSA-N 1 0 371.477 3.029 40 0 FGABRO COc1ccccc1C1(O)CC[NH+](C[C@@H](O)c2ccc3c(c2)CCC3)CC1 ZINC000012292564 494220437 /nfs/dbraw/zinc/22/04/37/494220437.db2.gz SHVUQXNNQBSXKG-OAQYLSRUSA-N 1 0 367.489 3.201 40 0 FGABRO COc1cccc(N2CC[NH+](C[C@H](O)c3cn(C)c4ccccc34)CC2)c1 ZINC000019290384 494440583 /nfs/dbraw/zinc/44/05/83/494440583.db2.gz DJLMCFFGMCLRIG-QFIPXVFZSA-N 1 0 365.477 3.043 40 0 FGABRO O=c1oc2ccc(Cl)cc2n1[C@@H]1CCCN(CC[NH+]2CCCCC2)C1 ZINC000019346003 494442622 /nfs/dbraw/zinc/44/26/22/494442622.db2.gz UCDHMCNUSYMBOL-MRXNPFEDSA-N 1 0 363.889 3.371 40 0 FGABRO COc1ccc(C[N@@H+]2CCC[C@H](c3cc(C(=O)N4CCCC4)on3)C2)cc1 ZINC000019555161 494448934 /nfs/dbraw/zinc/44/89/34/494448934.db2.gz NDFNRWOTAPRCRP-KRWDZBQOSA-N 1 0 369.465 3.299 40 0 FGABRO C[NH+](C)C1CCC2(CC1)CN(C(=O)c1ccccn1)Cc1ccccc1O2 ZINC000019583936 494450969 /nfs/dbraw/zinc/45/09/69/494450969.db2.gz YIIHKVJGZRXXJC-UHFFFAOYSA-N 1 0 365.477 3.359 40 0 FGABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3cc(=O)nc4n3CCC4)C2)c(C)c1C ZINC000019577357 494451416 /nfs/dbraw/zinc/45/14/16/494451416.db2.gz FEGDWTLJORPNSZ-GOSISDBHSA-N 1 0 367.493 3.195 40 0 FGABRO Cc1nn(C)cc1C[N@@H+]1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccccc1 ZINC000019713197 494456294 /nfs/dbraw/zinc/45/62/94/494456294.db2.gz UQHWTNNDGNMUAA-RTWAWAEBSA-N 1 0 366.509 3.274 40 0 FGABRO Cc1nccn1CC1CC[NH+](Cc2cnc(N3CCC[C@H](C)C3)nc2)CC1 ZINC000019715675 494457640 /nfs/dbraw/zinc/45/76/40/494457640.db2.gz XNZULNFLLWDXHL-KRWDZBQOSA-N 1 0 368.529 3.130 40 0 FGABRO Cc1nc([C@H]2CCC[N@H+]2C(C)C)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019754134 494460160 /nfs/dbraw/zinc/46/01/60/494460160.db2.gz WOGZJRPGPVDBHD-GOSISDBHSA-N 1 0 356.445 3.399 40 0 FGABRO CC(C)(C)OC(=O)N1CC(C[NH2+]Cc2ccc(Br)cc2)C1 ZINC000090635720 494490214 /nfs/dbraw/zinc/49/02/14/494490214.db2.gz PZVHHVOQXKKLOY-UHFFFAOYSA-N 1 0 355.276 3.406 40 0 FGABRO C[NH+]1CCN(c2ccc(NC(=O)CSCc3ccccc3)cc2)CC1 ZINC000023134033 494551164 /nfs/dbraw/zinc/55/11/64/494551164.db2.gz NYFQINGPLCWTIF-UHFFFAOYSA-N 1 0 355.507 3.310 40 0 FGABRO O=S(=O)(Cc1c(Cl)cccc1Cl)NCC[NH+]1CCCCCC1 ZINC000026111109 494801508 /nfs/dbraw/zinc/80/15/08/494801508.db2.gz LCYVJQDEELDZPS-UHFFFAOYSA-N 1 0 365.326 3.289 40 0 FGABRO COc1ccc(C[NH+]2CCC3(C[C@H](CC(=O)N4CCCC4)CO3)CC2)cc1 ZINC000096048176 494998126 /nfs/dbraw/zinc/99/81/26/494998126.db2.gz FBXOGMWKFXCVMG-IBGZPJMESA-N 1 0 372.509 3.079 40 0 FGABRO CCOC(=O)[C@@]12C[N@H+](Cc3ccoc3)C[C@@H]1CN(Cc1ccco1)CCC2 ZINC000096056026 494999407 /nfs/dbraw/zinc/99/94/07/494999407.db2.gz FWBRHEMMMRHPAV-RXVVDRJESA-N 1 0 372.465 3.150 40 0 FGABRO COc1ccc(C[NH+]2CCC3(CCC(=O)N3Cc3ccncc3)CC2)cc1 ZINC000096049395 494999505 /nfs/dbraw/zinc/99/95/05/494999505.db2.gz RUQJKSLGOVVEON-UHFFFAOYSA-N 1 0 365.477 3.247 40 0 FGABRO COc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(Cc4csc(C)n4)C3)C2)cc1 ZINC000096050912 494999636 /nfs/dbraw/zinc/99/96/36/494999636.db2.gz CJDWWJUYVYJTIE-FQEVSTJZSA-N 1 0 371.506 3.085 40 0 FGABRO Cc1ncsc1C[NH+]1CCC2(CO[C@H](COc3cccnc3)C2)CC1 ZINC000096106111 495001713 /nfs/dbraw/zinc/00/17/13/495001713.db2.gz RJGIDOKZTXYWNL-KRWDZBQOSA-N 1 0 359.495 3.297 40 0 FGABRO Fc1cccc(-c2nc3c(c(NC4CC4)n2)C[N@H+](C[C@H]2CCOC2)CC3)c1 ZINC000096254240 495008915 /nfs/dbraw/zinc/00/89/15/495008915.db2.gz SZGJDXZONNXHSZ-CQSZACIVSA-N 1 0 368.456 3.252 40 0 FGABRO COc1ccc2c3c1O[C@@]1(C)[C@]34CC[N@@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H](C)C2 ZINC000096316380 495009921 /nfs/dbraw/zinc/00/99/21/495009921.db2.gz HNGQYCCVBUYBHG-IYLYHHGGSA-N 1 0 367.489 3.326 40 0 biogenic,in-vitro FGABRO Cc1ccsc1C[N@@H+]1CC[C@H]2C[C@H](C(=O)Nc3cccnc3)O[C@@H]2C1 ZINC000097953808 495046479 /nfs/dbraw/zinc/04/64/79/495046479.db2.gz SUCXTXDTVQHTOX-USXIJHARSA-N 1 0 357.479 3.070 40 0 FGABRO [NH3+]C[C@H]1CC[C@H]([C@@H](NC(=O)Cc2cccc(F)c2)c2ccccn2)CC1 ZINC000100749999 495066109 /nfs/dbraw/zinc/06/61/09/495066109.db2.gz YRPPMPPGADEFAZ-LDBYXDLTSA-N 1 0 355.457 3.386 40 0 FGABRO O=C1C[C@@H]([NH2+]CCc2c[nH]c3ccc(Cl)cc23)C(=O)N1c1ccccc1 ZINC000105331238 495356327 /nfs/dbraw/zinc/35/63/27/495356327.db2.gz ODIHKORNWOSIJW-GOSISDBHSA-N 1 0 367.836 3.286 40 0 FGABRO Cc1cccc(CO[C@H]2Cn3cccc3C[N@H+](CC3CCOCC3)C2)n1 ZINC000247873026 496923578 /nfs/dbraw/zinc/92/35/78/496923578.db2.gz MFFVHQTVKIVILS-OAQYLSRUSA-N 1 0 355.482 3.019 40 0 FGABRO COc1ccc(CN2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cc1 ZINC000247886583 496925693 /nfs/dbraw/zinc/92/56/93/496925693.db2.gz LATIFVFCHPNAAX-RXVVDRJESA-N 1 0 356.441 3.172 40 0 FGABRO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(OC)c(C)c1C ZINC000224544922 497050001 /nfs/dbraw/zinc/05/00/01/497050001.db2.gz CUAGSIOKBGBQQB-QGZVFWFLSA-N 1 0 368.543 3.245 40 0 FGABRO COc1ccc(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1C ZINC000224637644 497051239 /nfs/dbraw/zinc/05/12/39/497051239.db2.gz WDDAHBGMSKYFNR-UHFFFAOYSA-N 1 0 352.478 3.458 40 0 FGABRO O=C1CCCN1c1ccc(NC(=S)NCCC[NH+]2CCCCCC2)cc1 ZINC000225400751 497061901 /nfs/dbraw/zinc/06/19/01/497061901.db2.gz CJTHXKLJCHVTRD-UHFFFAOYSA-N 1 0 374.554 3.366 40 0 FGABRO COc1ccc(C[N@@H+]2CC[C@H]3COC(=O)N3c3ccc(OC)cc3C2)cc1 ZINC000225490504 497065250 /nfs/dbraw/zinc/06/52/50/497065250.db2.gz CDIWSMQZLNIQCY-KRWDZBQOSA-N 1 0 368.433 3.435 40 0 biogenic,in-vitro FGABRO COc1cccc(Cc2cnc([C@@H]3CC[N@H+](Cc4cnccn4)C3)o2)c1 ZINC000257218911 497392199 /nfs/dbraw/zinc/39/21/99/497392199.db2.gz DEVCEQOCGCQVOT-MRXNPFEDSA-N 1 0 350.422 3.054 40 0 FGABRO Cc1cccnc1Nc1cc([C@H]2CCCN2Cc2nccn2C)nc(C)n1 ZINC000257262201 497396509 /nfs/dbraw/zinc/39/65/09/497396509.db2.gz LKOIDMAGOAURPJ-QGZVFWFLSA-N 1 0 363.469 3.303 40 0 FGABRO Cc1n[nH]c(C)c1CC(=O)N1[C@H](c2ccccc2)C[C@@H]2[C@@H]1CCCC[N@H+]2C ZINC000257316065 497401936 /nfs/dbraw/zinc/40/19/36/497401936.db2.gz VDYWGMPYGZCGFL-PCCBWWKXSA-N 1 0 366.509 3.396 40 0 FGABRO C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)[N@H+](CCO)[C@H]1CCCCC(=O)N2 ZINC000257319820 497402723 /nfs/dbraw/zinc/40/27/23/497402723.db2.gz VUFAHCKTIWBGMW-BQFCYCMXSA-N 1 0 370.415 3.262 40 0 FGABRO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CC[N@H+](Cc2cncs2)C1 ZINC000257330479 497403759 /nfs/dbraw/zinc/40/37/59/497403759.db2.gz XOPMYJJMARBIFK-GFCCVEGCSA-N 1 0 372.519 3.444 40 0 FGABRO Cc1n[nH]cc1C[N@H+]1CC[C@@H](c2c3cccnc3sc2C(=O)N(C)C)C1 ZINC000257330391 497403944 /nfs/dbraw/zinc/40/39/44/497403944.db2.gz XODZWUOEMACPQA-CYBMUJFWSA-N 1 0 369.494 3.019 40 0 FGABRO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2N1Cc1cccnc1 ZINC000306127806 498738168 /nfs/dbraw/zinc/73/81/68/498738168.db2.gz GICBLRYLTASSDI-OALUTQOASA-N 1 0 364.474 3.026 40 0 FGABRO CC(C)Cn1cc2c(n1)C1(CC[NH+](Cc3cccs3)CC1)CN(C)C2=O ZINC000306144041 498743034 /nfs/dbraw/zinc/74/30/34/498743034.db2.gz YUHHONZYKIIFAO-UHFFFAOYSA-N 1 0 372.538 3.220 40 0 FGABRO C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000333330155 498981514 /nfs/dbraw/zinc/98/15/14/498981514.db2.gz WBOVMJQNKKNZCX-QWQRMKEZSA-N 1 0 356.445 3.095 40 0 FGABRO CC[C@H](C)Nc1nc(N2CCc3cc(C(C)(C)O)ccc3C2)cc(C)[nH+]1 ZINC000329044956 499024054 /nfs/dbraw/zinc/02/40/54/499024054.db2.gz SZGIHEYLPGFHIE-AWEZNQCLSA-N 1 0 354.498 3.207 40 0 FGABRO CC(=O)N1C[C@@H](COCC2CC2)C2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC000585103185 507568766 /nfs/dbraw/zinc/56/87/66/507568766.db2.gz LZLJUOQZDJFBFO-IBGZPJMESA-N 1 0 362.539 3.235 40 0 FGABRO C[C@@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CCN(C(=O)c2ccccc2)CC3)C1 ZINC000585104200 507570423 /nfs/dbraw/zinc/57/04/23/507570423.db2.gz MONDMLSWEQFHRZ-QUCCMNQESA-N 1 0 356.510 3.430 40 0 FGABRO Cc1ccc(OC[C@@H](O)C[NH2+]Cc2cc3cc(C)ccc3[nH]c2=O)c(C)c1 ZINC000585284491 507584977 /nfs/dbraw/zinc/58/49/77/507584977.db2.gz LIJHDXKPPIURTO-IBGZPJMESA-N 1 0 366.461 3.395 40 0 FGABRO O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1[NH2+]CCN1CCCCC1 ZINC000585289392 507586637 /nfs/dbraw/zinc/58/66/37/507586637.db2.gz IWWMAKSFMUZFCP-IPMKNSEASA-N 1 0 352.906 3.076 40 0 FGABRO Cc1cccc(N2CC[NH+](C[C@H](O)COc3ccc(Cl)cc3)CC2)c1 ZINC000019923697 524557592 /nfs/dbraw/zinc/55/75/92/524557592.db2.gz SLTABGUSYZRALD-IBGZPJMESA-N 1 0 360.885 3.210 40 0 FGABRO COc1ccccc1C1(O)CC[NH+](C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000012292423 219975376 /nfs/dbraw/zinc/97/53/76/219975376.db2.gz WGNBFJKNAYQOTJ-GOSISDBHSA-N 1 0 361.869 3.366 40 0 FGABRO CC(C)C[NH2+][C@@H](c1ccc2c(c1)OCO2)[C@@H](O)c1ccc2c(c1)OCO2 ZINC000001767508 204017933 /nfs/dbraw/zinc/01/79/33/204017933.db2.gz OGUAXMGIUWGECD-PMACEKPBSA-N 1 0 357.406 3.164 40 0 FGABRO CC1(C)CC(O)CC(C)(C)[NH+]1C[C@H](O)COCc1ccc(Cl)cc1 ZINC000005644943 204220066 /nfs/dbraw/zinc/22/00/66/204220066.db2.gz FEDNJLVHRWIFHX-KRWDZBQOSA-N 1 0 355.906 3.231 40 0 FGABRO COc1cccc(C[N@H+](C)C[C@@H](O)COCC2=CC[C@@H]3C[C@H]2C3(C)C)c1 ZINC000006605245 204255851 /nfs/dbraw/zinc/25/58/51/204255851.db2.gz WSKOWHSLJSBACL-SFHLNBCPSA-N 1 0 359.510 3.497 40 0 FGABRO O=C(/C=C/c1ccc2c(c1)OCO2)NCc1ccccc1C[NH+]1CCCC1 ZINC000008011767 204315076 /nfs/dbraw/zinc/31/50/76/204315076.db2.gz PTMIUOZBKWHUAR-CSKARUKUSA-N 1 0 364.445 3.341 40 0 FGABRO CN(C(=O)OCc1ccccc1)[C@@H](C[N@@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000008375042 204329304 /nfs/dbraw/zinc/32/93/04/204329304.db2.gz XXJCJEOBWAOPCT-PMACEKPBSA-N 1 0 354.450 3.063 40 0 FGABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3cc4cccnc4[nH]3)C2)cc1CO ZINC000019559318 204690925 /nfs/dbraw/zinc/69/09/25/204690925.db2.gz PMYUKQIMGRQRMA-QGZVFWFLSA-N 1 0 351.450 3.443 40 0 FGABRO Cc1c([C@@H](C)NC(=O)CC2CC[NH+](CCc3ccccc3)CC2)cnn1C ZINC000019748368 204706198 /nfs/dbraw/zinc/70/61/98/204706198.db2.gz AQHGTHUQDGTWTM-QGZVFWFLSA-N 1 0 368.525 3.251 40 0 FGABRO CCOc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000026842970 204856578 /nfs/dbraw/zinc/85/65/78/204856578.db2.gz JHLVSOCCUJZCML-UHFFFAOYSA-N 1 0 374.506 3.160 40 0 FGABRO O=C(Nc1ccc2c(c1)OCO2)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038849342 205042529 /nfs/dbraw/zinc/04/25/29/205042529.db2.gz AKBJRKKUPZQZPA-HNNXBMFYSA-N 1 0 356.397 3.405 40 0 FGABRO C[NH+](C)C1(CNC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)CCCC1 ZINC000042764754 205097996 /nfs/dbraw/zinc/09/79/96/205097996.db2.gz XPJYLJKKPCYSSG-UHFFFAOYSA-N 1 0 366.889 3.034 40 0 FGABRO COc1ccc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000046103188 205133443 /nfs/dbraw/zinc/13/34/43/205133443.db2.gz PNSSJOQGTIZUKU-UHFFFAOYSA-N 1 0 355.507 3.430 40 0 FGABRO Cc1ccccc1CCC(=O)N1CC[C@]2(C1)C[C@H]([NH+]1CCCC1)CCO2 ZINC000096216236 205855616 /nfs/dbraw/zinc/85/56/16/205855616.db2.gz JYYQEBXWXRMHPC-IFMALSPDSA-N 1 0 356.510 3.174 40 0 FGABRO c1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COCc3ccncc3)C2)nc1 ZINC000107712416 206022089 /nfs/dbraw/zinc/02/20/89/206022089.db2.gz SQNPUZHTVDNRGL-SFTDATJTSA-N 1 0 353.466 3.065 40 0 FGABRO CC[NH+](CC)CCCNC(=S)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000012480925 206291928 /nfs/dbraw/zinc/29/19/28/206291928.db2.gz AQNYZVWJRPYODG-UHFFFAOYSA-N 1 0 373.570 3.349 40 0 FGABRO Cc1ccc(C[N@H+](CCCN2CCOCC2)Cc2cccnc2)cc1C ZINC000013569031 206303757 /nfs/dbraw/zinc/30/37/57/206303757.db2.gz UYBOHBZNGFYXOX-UHFFFAOYSA-N 1 0 353.510 3.423 40 0 FGABRO CC(C)C[C@@H](c1nnnn1C1CCCC1)N1CC[NH+](C2CCCC2)CC1 ZINC000019446795 206325702 /nfs/dbraw/zinc/32/57/02/206325702.db2.gz AEKDRLNJOTUSGS-IBGZPJMESA-N 1 0 360.550 3.436 40 0 FGABRO CCC(C)(C)n1nnnc1[C@H](CC(C)C)N1CC[NH+](C2CCCC2)CC1 ZINC000019499522 206326252 /nfs/dbraw/zinc/32/62/52/206326252.db2.gz YQEHKTOZHCRAFF-SFHVURJKSA-N 1 0 362.566 3.466 40 0 FGABRO CCc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(N[C@@H](C)CC)[nH+]1 ZINC000328956515 132371768 /nfs/dbraw/zinc/37/17/68/132371768.db2.gz AGRVVDYZUQZLOJ-HNNXBMFYSA-N 1 0 368.525 3.461 40 0 FGABRO CCc1cc(N2Cc3ccccc3C[C@@H]2C)nc(N[C@H](CO)C(C)C)[nH+]1 ZINC000328986165 132371977 /nfs/dbraw/zinc/37/19/77/132371977.db2.gz HWVLCGZVEFYMRL-HNAYVOBHSA-N 1 0 354.498 3.419 40 0 FGABRO COc1ccc2c(c1)CCN(c1cc(C)[nH+]c(NCc3ccccc3)n1)C2 ZINC000329072206 132373288 /nfs/dbraw/zinc/37/32/88/132373288.db2.gz ZVXPUVCUPUDVJZ-UHFFFAOYSA-N 1 0 360.461 3.390 40 0 FGABRO COc1ccc(CC[NH2+]C[C@@H](O)CSc2ccc(C)cc2)cc1OC ZINC000001718155 493797933 /nfs/dbraw/zinc/79/79/33/493797933.db2.gz MJYLWFRVOQFGEO-QGZVFWFLSA-N 1 0 361.507 3.298 40 0 FGABRO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc(Br)c1 ZINC000005671010 493939573 /nfs/dbraw/zinc/93/95/73/493939573.db2.gz KBULQBFCVZUFBT-GOEBONIOSA-N 1 0 351.288 3.443 40 0 FGABRO CC(C)Oc1cccc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)c1 ZINC000006349348 493960197 /nfs/dbraw/zinc/96/01/97/493960197.db2.gz LZJMNTUQXRNYMT-UHFFFAOYSA-N 1 0 353.466 3.478 40 0 FGABRO COc1cc(OC)cc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000032462006 493990905 /nfs/dbraw/zinc/99/09/05/493990905.db2.gz WUOXIWBVKFILEL-UHFFFAOYSA-N 1 0 354.450 3.230 40 0 FGABRO C[NH+](C)CC(=O)N1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000072350119 494155642 /nfs/dbraw/zinc/15/56/42/494155642.db2.gz QSEQXIAUUVMNNR-KRWDZBQOSA-N 1 0 355.457 3.079 40 0 FGABRO COc1ccccc1-c1cccc([C@@H]2CCC[N@H+](CC(=O)N(C)C)C2)n1 ZINC000072349510 494155680 /nfs/dbraw/zinc/15/56/80/494155680.db2.gz QAFAZOLZVVOFPV-MRXNPFEDSA-N 1 0 353.466 3.025 40 0 FGABRO Cc1nccn1-c1nccnc1C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000072350502 494156102 /nfs/dbraw/zinc/15/61/02/494156102.db2.gz AJNFZCCGBPYGSM-UHFFFAOYSA-N 1 0 351.429 3.489 40 0 FGABRO C[NH+](C)CC(=O)N1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072359096 494157323 /nfs/dbraw/zinc/15/73/23/494157323.db2.gz NOPHKGYTZZEJHW-OAHLLOKOSA-N 1 0 358.873 3.065 40 0 FGABRO Cc1cccc(-c2cncc([C@H]3CCCN(C(=O)C[NH+]4CCCC4)C3)n2)c1 ZINC000072359674 494157597 /nfs/dbraw/zinc/15/75/97/494157597.db2.gz ARRPCGLQMWWRSZ-IBGZPJMESA-N 1 0 364.493 3.254 40 0 FGABRO Cc1ccc(Oc2nccnc2C2CCN(C(=O)C(C)(C)[NH3+])CC2)cc1 ZINC000072363071 494158818 /nfs/dbraw/zinc/15/88/18/494158818.db2.gz VEJQVUBXILDHTA-UHFFFAOYSA-N 1 0 354.454 3.021 40 0 FGABRO CCN(CC)C(=O)C[N@@H+]1CCCC[C@@H]1c1nc(N)ncc1-c1ccccc1 ZINC000072376825 494159586 /nfs/dbraw/zinc/15/95/86/494159586.db2.gz DFCUCUYWKVAMDW-GOSISDBHSA-N 1 0 367.497 3.121 40 0 FGABRO Cc1cc(Oc2ccccc2F)nc([C@@H]2CCCN2C(=O)C(C)(C)[NH3+])n1 ZINC000072384384 494162056 /nfs/dbraw/zinc/16/20/56/494162056.db2.gz PVRPYRJLNWXVMA-AWEZNQCLSA-N 1 0 358.417 3.117 40 0 FGABRO Cc1cccnc1[C@]1(O)CC[C@H]2C[N@H+](Cc3c[nH]nc3C(C)(C)C)C[C@H]21 ZINC000072392543 494162595 /nfs/dbraw/zinc/16/25/95/494162595.db2.gz VDHAMBCRRFAGSX-XPIZARPCSA-N 1 0 354.498 3.140 40 0 FGABRO Nc1cc2ccccc2nc1C1CCN(C(=O)C[NH+]2CCCCCC2)CC1 ZINC000012087802 494202170 /nfs/dbraw/zinc/20/21/70/494202170.db2.gz WWASRNWFUOMSIT-UHFFFAOYSA-N 1 0 366.509 3.399 40 0 FGABRO Nc1cc2ccccc2nc1C1CCN(C(=O)C[NH+]2CCCCC2)CC1 ZINC000012087797 494202821 /nfs/dbraw/zinc/20/28/21/494202821.db2.gz QOUCPULNCSUDRE-UHFFFAOYSA-N 1 0 352.482 3.009 40 0 FGABRO Cc1cc(C[N@@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)cc(C)c1O ZINC000012122140 494207258 /nfs/dbraw/zinc/20/72/58/494207258.db2.gz VNHJHXKTISPZKF-UHFFFAOYSA-N 1 0 362.433 3.125 40 0 FGABRO COc1ccc(OC)c(C[NH+]2CCC(c3[nH]nc4ncccc43)CC2)c1 ZINC000012143425 494208184 /nfs/dbraw/zinc/20/81/84/494208184.db2.gz FKVIGVCDZJKMAK-UHFFFAOYSA-N 1 0 352.438 3.355 40 0 FGABRO C[NH+](C)[C@H](CNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1ccc(F)cc1 ZINC000012198395 494213664 /nfs/dbraw/zinc/21/36/64/494213664.db2.gz XTEPIYJYJSFDFK-AEFFLSMTSA-N 1 0 362.832 3.202 40 0 FGABRO COc1ccccc1[C@@]1(O)CCC[N@H+](C[C@@H](O)c2ccc3c(c2)CCC3)C1 ZINC000012292576 494220285 /nfs/dbraw/zinc/22/02/85/494220285.db2.gz WLTDFPCOGHSCOJ-FYYLOGMGSA-N 1 0 367.489 3.201 40 0 FGABRO Fc1ccccc1C[N@@H+]1CCC[C@H](Cn2nnc(-c3cccs3)n2)C1 ZINC000012471609 494235843 /nfs/dbraw/zinc/23/58/43/494235843.db2.gz RLGXILIDWRDGNF-AWEZNQCLSA-N 1 0 357.458 3.453 40 0 FGABRO Cn1nc(-c2ccc(CNC(=O)[C@H]3CC=CCC3)cc2)cc1C[NH+](C)C ZINC000019288866 494439368 /nfs/dbraw/zinc/43/93/68/494439368.db2.gz NCABWSYDQCNTMH-SFHVURJKSA-N 1 0 352.482 3.121 40 0 FGABRO Cc1nccn1C[C@@H](C)C(=O)NC1(C[NH+]2CCC(C)CC2)CCCCC1 ZINC000019287758 494439396 /nfs/dbraw/zinc/43/93/96/494439396.db2.gz AEYAPZFHTMSYPR-GOSISDBHSA-N 1 0 360.546 3.379 40 0 FGABRO COc1ccc(OC)c(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C2)c1 ZINC000019237849 494439715 /nfs/dbraw/zinc/43/97/15/494439715.db2.gz YIPWGJRUFQRDMC-NBCNXNJRSA-N 1 0 368.477 3.137 40 0 FGABRO Clc1cccc(CN2CCc3nc([C@@H]4CC[NH2+]C4)ncc3C2)c1Cl ZINC000019292620 494440808 /nfs/dbraw/zinc/44/08/08/494440808.db2.gz UOQARPORGBLUKR-GFCCVEGCSA-N 1 0 363.292 3.419 40 0 FGABRO O=C(c1ccc(Cn2ccnc2)o1)N1CCCC[C@H]1C[NH+]1CCCCCC1 ZINC000019342580 494441932 /nfs/dbraw/zinc/44/19/32/494441932.db2.gz AMISVNICPXAZFQ-SFHVURJKSA-N 1 0 370.497 3.395 40 0 FGABRO O=C(c1ccccn1)N1C[C@@H](c2cccc(F)c2)[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019400291 494444507 /nfs/dbraw/zinc/44/45/07/494444507.db2.gz WDOBSIHYXQFSBJ-SXLOBPIMSA-N 1 0 353.441 3.361 40 0 FGABRO O=c1cc([C@H]2CC[N@@H+](Cc3cccc(F)c3F)C2)nc(-c2ccccn2)[nH]1 ZINC000019402883 494444990 /nfs/dbraw/zinc/44/49/90/494444990.db2.gz YHIMURNJTRWYCE-ZDUSSCGKSA-N 1 0 368.387 3.100 40 0 FGABRO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccccn1 ZINC000019400442 494445036 /nfs/dbraw/zinc/44/50/36/494445036.db2.gz MAAKULUYKHYINJ-XLIONFOSSA-N 1 0 350.466 3.070 40 0 FGABRO COc1ccc(OC[C@H](C)[NH2+]Cc2cnc(N3CCC[C@@H](C)C3)nc2)cc1 ZINC000019496656 494445815 /nfs/dbraw/zinc/44/58/15/494445815.db2.gz ARRIVEKUSOJVQK-SJORKVTESA-N 1 0 370.497 3.279 40 0 FGABRO COc1ccc(CN2CC[NH+](C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)c(OC)c1OC ZINC000019552808 494448533 /nfs/dbraw/zinc/44/85/33/494448533.db2.gz HXPUHVSTHVLUKG-AOIWGVFYSA-N 1 0 372.509 3.042 40 0 FGABRO COc1cc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2CCO)ccc1OC1CCCC1 ZINC000019550125 494448888 /nfs/dbraw/zinc/44/88/88/494448888.db2.gz VGDIWGVIUBUVLH-MOPGFXCFSA-N 1 0 374.525 3.048 40 0 FGABRO Cc1c(C[NH2+][C@@H](C)c2cc(=O)[nH]c(-c3ccncc3)n2)[nH]c2ccccc12 ZINC000019565951 494449736 /nfs/dbraw/zinc/44/97/36/494449736.db2.gz OROKKRYOSZGIIW-AWEZNQCLSA-N 1 0 359.433 3.472 40 0 FGABRO COc1ccccc1C[N@@H+]1CCC[C@H](c2cc(C(F)F)n3ncnc3n2)C1 ZINC000019570270 494449996 /nfs/dbraw/zinc/44/99/96/494449996.db2.gz GGOGGEZBXDLDLE-ZDUSSCGKSA-N 1 0 373.407 3.450 40 0 FGABRO CNc1cc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)nc(-c2ccncc2)n1 ZINC000019592282 494450946 /nfs/dbraw/zinc/45/09/46/494450946.db2.gz RNVXMSXQWDTYDZ-QGZVFWFLSA-N 1 0 360.465 3.355 40 0 FGABRO CNc1cc([C@@H]2CCC[N@H+](CC3=CCCOC3)C2)nc(-c2cccnc2)n1 ZINC000019592199 494451076 /nfs/dbraw/zinc/45/10/76/494451076.db2.gz YAULDPLOTNKGKX-GOSISDBHSA-N 1 0 365.481 3.106 40 0 FGABRO COc1ccccc1CN(C(=O)CCc1ccncc1)C1CC[NH+](C)CC1 ZINC000019588150 494451575 /nfs/dbraw/zinc/45/15/75/494451575.db2.gz MJIZOQZDXBZPKK-UHFFFAOYSA-N 1 0 367.493 3.146 40 0 FGABRO Cc1cc(C)n(-c2ccc(C(=O)N3CCC([NH+]4CCCC4)CC3)cc2)n1 ZINC000019659973 494453824 /nfs/dbraw/zinc/45/38/24/494453824.db2.gz YXBXJLIWMPDUJV-UHFFFAOYSA-N 1 0 352.482 3.190 40 0 FGABRO COc1ccc([C@H]2CCC[N@@H+]2Cc2cnc(N3CCOCC3)s2)cc1 ZINC000019715697 494457263 /nfs/dbraw/zinc/45/72/63/494457263.db2.gz RXXDIPVOYMXTHO-GOSISDBHSA-N 1 0 359.495 3.325 40 0 FGABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](CC(=O)N4CCCC4)CO3)CC2)s1 ZINC000096048175 494998405 /nfs/dbraw/zinc/99/84/05/494998405.db2.gz FDCVWQJXVNVUQX-QGZVFWFLSA-N 1 0 362.539 3.440 40 0 FGABRO Fc1cccnc1OC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccccn1)C2 ZINC000096040470 494998863 /nfs/dbraw/zinc/99/88/63/494998863.db2.gz CEEHZBBGFWBMMO-UYAOXDASSA-N 1 0 357.429 3.066 40 0 FGABRO Cn1ccnc1CN[C@H]1CC2(CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000096079040 495000566 /nfs/dbraw/zinc/00/05/66/495000566.db2.gz NBCJOGDDSFCUTR-FQEVSTJZSA-N 1 0 350.510 3.398 40 0 FGABRO c1csc(C[N@H+]2CCOC[C@@]3(C[C@@H](CNc4ccccc4)CO3)C2)c1 ZINC000096078414 495000787 /nfs/dbraw/zinc/00/07/87/495000787.db2.gz HVBNDLXQJSLXKK-FXAWDEMLSA-N 1 0 358.507 3.468 40 0 FGABRO CCS(=O)(=O)N1CCC2(CC[C@H]([NH+]3CCCC3)c3ccccc32)CC1 ZINC000096079652 495001093 /nfs/dbraw/zinc/00/10/93/495001093.db2.gz FJWSDEPMIFJJEK-IBGZPJMESA-N 1 0 362.539 3.301 40 0 FGABRO COc1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@@H]3C2)cc1 ZINC000096100388 495001252 /nfs/dbraw/zinc/00/12/52/495001252.db2.gz VQJUEBUEHMVUOB-PKTZIBPZSA-N 1 0 364.489 3.460 40 0 FGABRO O=C(C[C@@H]1OC[C@H]2C[N@H+](Cc3cccs3)CC[C@H]21)Nc1cccnc1 ZINC000096206084 495006383 /nfs/dbraw/zinc/00/63/83/495006383.db2.gz WWZQJWYWELXYBO-OLMNPRSZSA-N 1 0 357.479 3.009 40 0 FGABRO Cn1cccc1C(=O)N1C[C@H]2[C@@H](C1)CCC[C@H]2[N@H+](C)Cc1cccs1 ZINC000096183118 495006916 /nfs/dbraw/zinc/00/69/16/495006916.db2.gz UXHDDXAEKQYLKU-BPQIPLTHSA-N 1 0 357.523 3.459 40 0 FGABRO c1cncc(OC[C@H]2COCCC23CC[NH+](Cc2ccncc2)CC3)c1 ZINC000096215585 495007924 /nfs/dbraw/zinc/00/79/24/495007924.db2.gz SDISEFMXTUZTDZ-LJQANCHMSA-N 1 0 353.466 3.174 40 0 FGABRO CC(C)[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)C1 ZINC000096228740 495008048 /nfs/dbraw/zinc/00/80/48/495008048.db2.gz VQPFWFQWFVMVSF-OAQYLSRUSA-N 1 0 355.482 3.131 40 0 FGABRO Cc1cccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2ncccc2F)C3)n1 ZINC000096229071 495008055 /nfs/dbraw/zinc/00/80/55/495008055.db2.gz PQZZJOCUGGGHLP-NRFANRHFSA-N 1 0 370.472 3.043 40 0 FGABRO O=C(Cc1ccsc1)N1CC[C@@]2(C1)CCC[N@H+](CC1CCOCC1)C2 ZINC000096215440 495008064 /nfs/dbraw/zinc/00/80/64/495008064.db2.gz LETBDPCLGNISFC-FQEVSTJZSA-N 1 0 362.539 3.032 40 0 FGABRO Clc1cncc(OC[C@H]2CO[C@@H]3C[N@H+](Cc4cccs4)C[C@H]23)c1 ZINC000096219097 495008092 /nfs/dbraw/zinc/00/80/92/495008092.db2.gz JSSMGINXTRLTQL-JCURWCKSSA-N 1 0 350.871 3.322 40 0 FGABRO c1nc2n(c1-c1ccccc1)CCNC21CC[NH+](Cc2ccncc2)CC1 ZINC000096263404 495008709 /nfs/dbraw/zinc/00/87/09/495008709.db2.gz SCARHXDAHKBOKL-UHFFFAOYSA-N 1 0 359.477 3.040 40 0 FGABRO CC(=O)N1C[C@H](COCC2CC2)C2(C1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC000247915218 496926506 /nfs/dbraw/zinc/92/65/06/496926506.db2.gz FSMDWPYUEPHJNZ-HXUWFJFHSA-N 1 0 374.500 3.313 40 0 FGABRO [NH3+]Cc1ccc(NC(=O)c2ccc(I)cc2)cc1 ZINC000199826740 496972854 /nfs/dbraw/zinc/97/28/54/496972854.db2.gz BVMJRIYYSJDYFQ-UHFFFAOYSA-N 1 0 352.175 3.002 40 0 FGABRO O=C(COc1cccc(C(F)(F)F)c1)NCCC[NH+]1CCCCCC1 ZINC000225811652 497076245 /nfs/dbraw/zinc/07/62/45/497076245.db2.gz NRHRPCRVFJLJJP-UHFFFAOYSA-N 1 0 358.404 3.467 40 0 FGABRO CCOC[C@]1(C[NH3+])[C@@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000242495417 497354572 /nfs/dbraw/zinc/35/45/72/497354572.db2.gz GENZUWQEDZYTAD-PWRODBHTSA-N 1 0 373.518 3.225 40 0 FGABRO CN(CCc1ccccc1)C(=O)c1ccccc1-n1cc(C[NH+](C)C)cn1 ZINC000257201706 497389365 /nfs/dbraw/zinc/38/93/65/497389365.db2.gz AIRRONXNOLLSQT-UHFFFAOYSA-N 1 0 362.477 3.249 40 0 FGABRO Cc1ccsc1C(=O)N1CCC(Cc2cnc(C[NH+](C)C)cn2)CC1 ZINC000257229094 497393801 /nfs/dbraw/zinc/39/38/01/497393801.db2.gz FWQSPFVKZIRHPN-UHFFFAOYSA-N 1 0 358.511 3.003 40 0 FGABRO CC(C)c1cc(C(=O)N2CCO[C@@H](CCc3cc[nH+]c(N)c3)C2)cs1 ZINC000257246468 497394415 /nfs/dbraw/zinc/39/44/15/497394415.db2.gz IUFZHEDQOHDUFW-INIZCTEOSA-N 1 0 359.495 3.323 40 0 FGABRO C[N@@H+]1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)COc1ccc(F)c(Cl)c1 ZINC000257282906 497399159 /nfs/dbraw/zinc/39/91/59/497399159.db2.gz OVVLXKVKHLEOSH-WMZOPIPTSA-N 1 0 354.853 3.333 40 0 FGABRO c1ccc(CC[NH+]2CCC(c3cncc(Nc4ncccn4)n3)CC2)cc1 ZINC000257283576 497399634 /nfs/dbraw/zinc/39/96/34/497399634.db2.gz OYWZLLFZFSVSOV-UHFFFAOYSA-N 1 0 360.465 3.432 40 0 FGABRO C[NH2+]Cc1cc([C@H]2CC[C@H](CN(C)C(=O)C[C@@H]3C=CCC3)CC2)nn1C ZINC000257332730 497404257 /nfs/dbraw/zinc/40/42/57/497404257.db2.gz XYKYWDWTDGVVSZ-KZNAEPCWSA-N 1 0 358.530 3.228 40 0 FGABRO Cc1ncc(-c2nccnc2C2CC[NH+](Cc3cncs3)CC2)n1C ZINC000257341948 497405051 /nfs/dbraw/zinc/40/50/51/497405051.db2.gz ZMNHWEPNNAACMH-UHFFFAOYSA-N 1 0 354.483 3.022 40 0 FGABRO Cc1ccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4ccncc4)C2)OC3)cc1 ZINC000306133140 498739359 /nfs/dbraw/zinc/73/93/59/498739359.db2.gz MDBRDYGOVNYVNN-QFIPXVFZSA-N 1 0 360.461 3.428 40 0 FGABRO CCOC[C@H]1CC[N@H+](CC2CC2)C2(CN(C(=O)c3sccc3C)C2)C1 ZINC000306144336 498742242 /nfs/dbraw/zinc/74/22/42/498742242.db2.gz ZCVRCNVHOLGTMK-KRWDZBQOSA-N 1 0 362.539 3.410 40 0 FGABRO Cc1cc(F)ccc1Nc1cc(-c2cccnc2)nc(NCC[NH+](C)C)n1 ZINC000328987048 499007966 /nfs/dbraw/zinc/00/79/66/499007966.db2.gz IAGSXBQDSUAXHO-UHFFFAOYSA-N 1 0 366.444 3.125 40 0 FGABRO CC(C)[C@@H](CO)Nc1nc(NCc2ccc(Cl)cc2)cc(C2CC2)[nH+]1 ZINC000329054765 499028627 /nfs/dbraw/zinc/02/86/27/499028627.db2.gz VLEQJTCFYBODAI-QGZVFWFLSA-N 1 0 360.889 3.470 40 0 FGABRO c1ccc(C[NH+]2C[C@@H]3CN(c4ccc(-c5ccccn5)nn4)C[C@H]3C2)cc1 ZINC000409430447 499596247 /nfs/dbraw/zinc/59/62/47/499596247.db2.gz VOGYHLIKGCYEQY-RTBURBONSA-N 1 0 357.461 3.107 40 0 FGABRO O=C(c1nccc2ccccc21)N1CCC[C@]2(CC[N@@H+]2C[C@H]2CCCO2)C1 ZINC000585102106 507568603 /nfs/dbraw/zinc/56/86/03/507568603.db2.gz RVRDORXXJHDBFO-GCJKJVERSA-N 1 0 365.477 3.094 40 0 FGABRO C[C@@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CCN(C(=O)c2ccc(O)cc2)CC3)C1 ZINC000585103073 507568915 /nfs/dbraw/zinc/56/89/15/507568915.db2.gz CDAIHZRRAVLUQB-XLIONFOSSA-N 1 0 372.509 3.135 40 0 FGABRO C[C@H](c1ccccc1)[N@@H+]1CCOC[C@@]2(CC(=O)N(Cc3ccccc3)C2)C1 ZINC000585104443 507570669 /nfs/dbraw/zinc/57/06/69/507570669.db2.gz NFMDMGGFVSHBOI-XXBNENTESA-N 1 0 364.489 3.499 40 0 FGABRO O=C1C[C@]2(CN1c1ccc(F)cc1)COCC[N@H+](Cc1ccccc1)C2 ZINC000585104565 507571388 /nfs/dbraw/zinc/57/13/88/507571388.db2.gz QNTILDBIOUPZHH-NRFANRHFSA-N 1 0 354.425 3.081 40 0 FGABRO Cc1cncc(C(=O)N2CC[N@@H+](C)C[C@@H](Cc3ccc4ncccc4c3)C2)c1 ZINC000585261163 507580461 /nfs/dbraw/zinc/58/04/61/507580461.db2.gz VZMYIMDXXCODRY-LJQANCHMSA-N 1 0 374.488 3.185 40 0 FGABRO c1ccc(CC[NH+]2CCC(c3cncc(Nc4ccccn4)n3)CC2)cc1 ZINC000585176634 507580770 /nfs/dbraw/zinc/58/07/70/507580770.db2.gz RSSHTMTYZFVLNM-UHFFFAOYSA-N 1 0 359.477 3.459 40 0 FGABRO c1nc(Nc2cncc(CC[C@H]3CCC[NH2+]3)n2)sc1-c1ccccc1 ZINC000585262969 507582801 /nfs/dbraw/zinc/58/28/01/507582801.db2.gz GHIMGOIWJHHWGX-OAHLLOKOSA-N 1 0 351.479 3.450 40 0 FGABRO CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020105307 523053154 /nfs/dbraw/zinc/05/31/54/523053154.db2.gz RGPWJQRNVGIHFY-FUHIMQAGSA-N 1 0 362.514 3.337 40 0 FGABRO C[NH+]1CCC(Oc2ccc(CNC(=O)/C=C/c3ccccc3)cc2)CC1 ZINC000078578697 523783222 /nfs/dbraw/zinc/78/32/22/523783222.db2.gz IYOSDFUTVUYZHR-FMIVXFBMSA-N 1 0 350.462 3.489 40 0 FGABRO COc1cc([C@](O)(c2ccccc2)[C@@H]2CCCC[NH2+]2)cc(OC)c1OC ZINC000001604299 204013533 /nfs/dbraw/zinc/01/35/33/204013533.db2.gz WJNADZRAMWNFKF-PZJWPPBQSA-N 1 0 357.450 3.090 40 0 FGABRO C[C@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)[C@H]1CCCC[N@@H+]1C ZINC000005065142 204189479 /nfs/dbraw/zinc/18/94/79/204189479.db2.gz AYEXHPIWIMINEM-FXAWDEMLSA-N 1 0 353.462 3.339 40 0 FGABRO COc1cc2c(cc1OC)[C@H](c1cc3ccc(C)c(C)c3[nH]c1=O)[NH2+]CC2 ZINC000035316169 204238799 /nfs/dbraw/zinc/23/87/99/204238799.db2.gz GKOXMIWLCAMOOP-OAQYLSRUSA-N 1 0 364.445 3.397 40 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O=C(C[N@H+]1CCC[C@H](c2nccnc2-c2cccc(F)c2)C1)N1CCCC1 ZINC000072358550 494157188 /nfs/dbraw/zinc/15/71/88/494157188.db2.gz SZACVRZQIYUNGL-KRWDZBQOSA-N 1 0 368.456 3.085 40 0 FGABRO O=C(NCCO)c1sc2ccccc2c1C[C@@H]1CCCC[N@@H+]1CC1CC1 ZINC000072370435 494158282 /nfs/dbraw/zinc/15/82/82/494158282.db2.gz GFTJMTZBWDFSSJ-INIZCTEOSA-N 1 0 372.534 3.430 40 0 FGABRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccnc(Nc3cnccn3)n2)cc1 ZINC000072377440 494159743 /nfs/dbraw/zinc/15/97/43/494159743.db2.gz FAQISDHPJNTDTR-GOSISDBHSA-N 1 0 362.437 3.356 40 0 FGABRO O=c1cc([C@@H]2CCC[N@H+](Cc3ccsc3)C2)nc(-c2cccnc2)[nH]1 ZINC000072393084 494163041 /nfs/dbraw/zinc/16/30/41/494163041.db2.gz IOLBLEZOBLKVAP-MRXNPFEDSA-N 1 0 352.463 3.273 40 0 FGABRO O=c1cc([C@H]2CCC[N@H+](Cc3cccs3)C2)nc(-c2cccnc2)[nH]1 ZINC000072393047 494163180 /nfs/dbraw/zinc/16/31/80/494163180.db2.gz URPDTQOSZZEGMY-HNNXBMFYSA-N 1 0 352.463 3.273 40 0 FGABRO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)COCCOC23CC4CC(CC(C4)C2)C3)C1 ZINC000041689915 494173628 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O=C(NC1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372519 494443107 /nfs/dbraw/zinc/44/31/07/494443107.db2.gz NTHHKWWTXUIDLL-WOJBJXKFSA-N 1 0 366.436 3.035 40 0 FGABRO CCC(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C1CCC(C)CC1)CC2 ZINC000019498798 494445638 /nfs/dbraw/zinc/44/56/38/494445638.db2.gz OGLYBJQRNAPTIQ-JMLCCBQJSA-N 1 0 372.513 3.193 40 0 FGABRO COc1cc(C)c(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)cc1C ZINC000019567206 494449747 /nfs/dbraw/zinc/44/97/47/494449747.db2.gz CCFZLUJNJGMGPN-QIDMFYOTSA-N 1 0 369.509 3.165 40 0 FGABRO C[NH+](C)Cc1cc(-c2ccccc2F)nn1CCNC(=O)[C@@H]1CC=CCC1 ZINC000019583423 494451709 /nfs/dbraw/zinc/45/17/09/494451709.db2.gz FOCLYDHUXMPBSH-MRXNPFEDSA-N 1 0 370.472 3.223 40 0 FGABRO COCCn1cc(C[N@@H+]2CC[C@@H]3[C@H]2CCCCN3C(C)=O)c2ccccc21 ZINC000019712451 494456463 /nfs/dbraw/zinc/45/64/63/494456463.db2.gz UEBAKDVGRYULNL-FGZHOGPDSA-N 1 0 369.509 3.263 40 0 FGABRO CCOC(=O)C1CCN(C(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000022514597 494525765 /nfs/dbraw/zinc/52/57/65/494525765.db2.gz GWZUSCQFRPISKA-QGZVFWFLSA-N 1 0 372.509 3.334 40 0 FGABRO Cc1ccc([C@H](O)C[N@@H+]2CCCN(Cc3ncccc3C)CC2)c(C)c1 ZINC000022887463 494540445 /nfs/dbraw/zinc/54/04/45/494540445.db2.gz PNALMXWLBIBGGR-JOCHJYFZSA-N 1 0 353.510 3.248 40 0 FGABRO O=C(Cc1cccnc1)N1CCC[C@@]2(CC[N@H+](Cc3ccsc3)C2)C1 ZINC000096047116 494998199 /nfs/dbraw/zinc/99/81/99/494998199.db2.gz RRNYYRMAHZOTLC-FQEVSTJZSA-N 1 0 355.507 3.200 40 0 FGABRO COc1cccc(C[NH+]2CCC3(CCN(C(=O)c4ccc[nH]4)C3)CC2)c1 ZINC000096046640 494998673 /nfs/dbraw/zinc/99/86/73/494998673.db2.gz NFXDHRKUIJWJBH-UHFFFAOYSA-N 1 0 353.466 3.152 40 0 FGABRO COc1ccc(C[NH+]2CCC3(CC2)NC(=O)C[C@@H]3c2ccccc2)cc1 ZINC000096061419 494999442 /nfs/dbraw/zinc/99/94/42/494999442.db2.gz FBDABUSOFSRPAA-HXUWFJFHSA-N 1 0 350.462 3.334 40 0 FGABRO Cc1nc(CO[C@@H]2C[N@H+](Cc3cccs3)[C@@H]3CCCO[C@H]23)cs1 ZINC000096058119 494999894 /nfs/dbraw/zinc/99/98/94/494999894.db2.gz AFQLCHDAUXTPOY-ZACQAIPSSA-N 1 0 350.509 3.462 40 0 FGABRO COc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C)[C@H]3c2ccccc2)cc1 ZINC000096100249 495001053 /nfs/dbraw/zinc/00/10/53/495001053.db2.gz GSHOBOIBVSJNEY-FQEVSTJZSA-N 1 0 350.462 3.491 40 0 FGABRO Cc1nc(N(C)C)nc2c1COC[C@]21CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000096080392 495001067 /nfs/dbraw/zinc/00/10/67/495001067.db2.gz YRGVRTBNWTUAEF-HXUWFJFHSA-N 1 0 372.900 3.178 40 0 FGABRO Cc1cccc(C[N@@H+]2CCC[C@]3(C[C@@H](Oc4ncccc4F)CO3)C2)n1 ZINC000096110851 495002214 /nfs/dbraw/zinc/00/22/14/495002214.db2.gz PEKRHMVSXCGXLQ-XLIONFOSSA-N 1 0 357.429 3.127 40 0 FGABRO Cc1ccc2c(c1)nc1n2[C@@H](C[NH2+]Cc2nc3ccccc3n2C)COC1 ZINC000096112815 495002773 /nfs/dbraw/zinc/00/27/73/495002773.db2.gz FRKHQCWAXUOJKM-HNNXBMFYSA-N 1 0 361.449 3.093 40 0 biogenic,in-vitro FGABRO Cc1ccccc1C(=O)N1CCC2(CC[C@@H](COCC3CC3)[N@H+]2C)CC1 ZINC000096207818 495006504 /nfs/dbraw/zinc/00/65/04/495006504.db2.gz YLYURPNCUUQQDG-IBGZPJMESA-N 1 0 356.510 3.491 40 0 FGABRO c1csc(C[N@H+]2Cc3cncn3C[C@H](COCc3ccccn3)C2)c1 ZINC000096217255 495007361 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3.201 40 0 FGABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1COc2ccccc2O1 ZINC000224656826 497051780 /nfs/dbraw/zinc/05/17/80/497051780.db2.gz MQAIFDNNFQBARM-NRFANRHFSA-N 1 0 366.461 3.129 40 0 FGABRO Cc1cc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)ccc1F ZINC000224804961 497053078 /nfs/dbraw/zinc/05/30/78/497053078.db2.gz XQQWJOWWZQHLJD-UHFFFAOYSA-N 1 0 362.470 3.208 40 0 FGABRO Cc1ccc2[nH+]c(C)cc(NCCNC(=S)Nc3nccc(C)n3)c2c1 ZINC000225215669 497058294 /nfs/dbraw/zinc/05/82/94/497058294.db2.gz MBWLSXZRBYFGMJ-UHFFFAOYSA-N 1 0 366.494 3.349 40 0 FGABRO COC[C@H]1C[N@H+](C)CC12CCN(C(=O)CCc1ccccc1Cl)CC2 ZINC000253612775 497346434 /nfs/dbraw/zinc/34/64/34/497346434.db2.gz CLCCCEVGWKGDRB-QGZVFWFLSA-N 1 0 364.917 3.089 40 0 FGABRO CC(C)(C)c1ccc2c(c1)[C@@H]1O[C@@H]3CCN(CC(N)=O)[C@H]3C[C@H]1C(C)(C)O2 ZINC000257219504 497391399 /nfs/dbraw/zinc/39/13/99/497391399.db2.gz DHAFZFRQGAPRHN-HNAWSFBYSA-N 1 0 372.509 3.161 40 0 FGABRO Cc1c[nH]c(-c2nccnc2[C@H]2CCC[N@H+](Cc3scnc3C)C2)n1 ZINC000257225173 497392382 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c1ccc(C[N@@H+]2CC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)nc1 ZINC000306127046 498738517 /nfs/dbraw/zinc/73/85/17/498738517.db2.gz FMNSYUGXZZRUTP-GOSISDBHSA-N 1 0 356.433 3.176 40 0 FGABRO Cc1occc1C(=O)N1CC2(C1)C[C@@H](COCC1CC1)CC[N@@H+]2CC1CC1 ZINC000306137845 498740857 /nfs/dbraw/zinc/74/08/57/498740857.db2.gz RHWVSJHJCCNOOG-IBGZPJMESA-N 1 0 372.509 3.331 40 0 FGABRO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2N1Cc1ccccn1 ZINC000306138740 498741562 /nfs/dbraw/zinc/74/15/62/498741562.db2.gz SGFHTLQATKTBJO-OALUTQOASA-N 1 0 364.474 3.026 40 0 FGABRO CC(C)n1cc2c(n1)C1(CC[NH+](Cc3ccc(F)cc3)CC1)CN(C)C2=O ZINC000306141748 498742426 /nfs/dbraw/zinc/74/24/26/498742426.db2.gz WFHNXLQTVRNKBC-UHFFFAOYSA-N 1 0 370.472 3.223 40 0 FGABRO CC(C)[C@H](CO)Nc1nc(Nc2cccc(O)c2)cc(-c2ccccc2)n1 ZINC000329050148 499026458 /nfs/dbraw/zinc/02/64/58/499026458.db2.gz UTKMKLHFBXJCSU-IBGZPJMESA-N 1 0 364.449 3.444 40 0 FGABRO Cc1ccc(Nc2cc(-c3ccncc3)nc(NCCC[NH+](C)C)n2)cc1 ZINC000329066630 499031692 /nfs/dbraw/zinc/03/16/92/499031692.db2.gz YCSMLBPBHVAZBI-UHFFFAOYSA-N 1 0 362.481 3.376 40 0 FGABRO Cc1noc(C)c1CN1C(=O)CC[C@]12CCC[N@H+](Cc1cccnc1)CC2 ZINC000585099887 507566648 /nfs/dbraw/zinc/56/66/48/507566648.db2.gz QQJDMHHNCJLYID-NRFANRHFSA-N 1 0 368.481 3.234 40 0 FGABRO CC(C)C[N@@H+]1CC[C@]12CCCN(C(=O)c1ccc(NC(=O)C3CC3)cc1)C2 ZINC000585102324 507568638 /nfs/dbraw/zinc/56/86/38/507568638.db2.gz XCGQKYAWIVCLAF-QFIPXVFZSA-N 1 0 369.509 3.372 40 0 FGABRO CC(=O)N1C[C@@H](COCC2CC2)C2(C1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC000585103196 507568959 /nfs/dbraw/zinc/56/89/59/507568959.db2.gz MQRFQEVDHAEMPJ-QFIPXVFZSA-N 1 0 370.537 3.482 40 0 FGABRO C[C@H](c1ccccc1)[N@@H+]1CCOC[C@]2(CC(=O)N(Cc3ccccc3)C2)C1 ZINC000585104431 507569912 /nfs/dbraw/zinc/56/99/12/507569912.db2.gz NFMDMGGFVSHBOI-AUSIDOKSSA-N 1 0 364.489 3.499 40 0 FGABRO Cc1ccccc1S(=O)(=O)N1CC[C@H]2[C@@H](C[N@@H+]2CC2CCCCC2)C1 ZINC000585107964 507573887 /nfs/dbraw/zinc/57/38/87/507573887.db2.gz NGENNOOBWPBCDV-OALUTQOASA-N 1 0 362.539 3.270 40 0 FGABRO Cn1ccnc1COc1ccc(C[N@H+](C)C[C@H](O)c2ccccc2)cc1 ZINC000585270304 507581995 /nfs/dbraw/zinc/58/19/95/507581995.db2.gz UHWOKEPCUJRTOM-FQEVSTJZSA-N 1 0 351.450 3.165 40 0 FGABRO C[NH+](C)C/C=C/C(=O)N1CCC[C@@H](c2csc(Nc3ccccn3)n2)C1 ZINC000585292658 507587050 /nfs/dbraw/zinc/58/70/50/507587050.db2.gz PZZPGQSAYFVIEH-RZIFZGNASA-N 1 0 371.510 3.106 40 0 FGABRO CC(C)(C)OC(=O)N1CCC(OC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000306145188 534803428 /nfs/dbraw/zinc/80/34/28/534803428.db2.gz FPZAUOUVATUDQY-UHFFFAOYSA-N 1 0 361.486 3.467 40 0 FGABRO O=C(Nc1cc(Br)ccc1Br)C1CC[NH2+]CC1 ZINC000037047028 527101751 /nfs/dbraw/zinc/10/17/51/527101751.db2.gz HVZZIUBXMIUMKD-UHFFFAOYSA-N 1 0 362.065 3.150 40 0 FGABRO COc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1OC ZINC000008011663 204315102 /nfs/dbraw/zinc/31/51/02/204315102.db2.gz VZLNOISJUVAPNT-UHFFFAOYSA-N 1 0 354.450 3.230 40 0 FGABRO COC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038834509 205043066 /nfs/dbraw/zinc/04/30/66/205043066.db2.gz MFJLJFKCQRYKTP-QGZVFWFLSA-N 1 0 352.434 3.324 40 0 FGABRO COc1ccc(CCNC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000038848934 205042682 /nfs/dbraw/zinc/04/26/82/205042682.db2.gz CTWPQEHQTBXFPK-LJQANCHMSA-N 1 0 370.468 3.405 40 0 FGABRO Cc1cccc(-c2cncc([C@@H]3CCCN(C(=O)C[NH+]4CCCC4)C3)n2)c1 ZINC000072359673 205519970 /nfs/dbraw/zinc/51/99/70/205519970.db2.gz ARRPCGLQMWWRSZ-LJQANCHMSA-N 1 0 364.493 3.254 40 0 FGABRO O=C(C[C@@H]1CC2(CC[NH+](CC3CC3)CC2)Oc2ccccc21)NC1CC1 ZINC000096053450 205812379 /nfs/dbraw/zinc/81/23/79/205812379.db2.gz CWNMULPZNTXCQN-QGZVFWFLSA-N 1 0 354.494 3.466 40 0 FGABRO O=C(NCc1cccs1)[C@@H]1C[C@]2(CO1)c1ccccc1C[N@H+]2CC1CC1 ZINC000107181296 206017926 /nfs/dbraw/zinc/01/79/26/206017926.db2.gz RMEJOMFJHNTONG-FPOVZHCZSA-N 1 0 368.502 3.274 40 0 FGABRO C[NH+](C)CCCN1C(=O)c2cccc3c(Br)ccc(c32)C1=O ZINC000004714237 206181745 /nfs/dbraw/zinc/18/17/45/206181745.db2.gz AHKXOJFLQCOBFD-UHFFFAOYSA-N 1 0 361.239 3.150 40 0 FGABRO COc1ccccc1OCC(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224644367 206462451 /nfs/dbraw/zinc/46/24/51/206462451.db2.gz PWJRYSJCRHAYEV-UHFFFAOYSA-N 1 0 368.477 3.376 40 0 FGABRO COc1cccc(C[N@@H+]2CCC3(C2)CCN(c2ncc(F)cn2)CC3)c1 ZINC000096157461 132221027 /nfs/dbraw/zinc/22/10/27/132221027.db2.gz GBQSREVDAILVEU-UHFFFAOYSA-N 1 0 356.445 3.117 40 0 FGABRO COc1cc(N2CCC[C@]3(CC[N@H+](Cc4ccc(C)cc4)C3)C2)ncn1 ZINC000096216518 132222571 /nfs/dbraw/zinc/22/25/71/132222571.db2.gz HKQCIBMKVDFHQQ-OAQYLSRUSA-N 1 0 352.482 3.286 40 0 FGABRO COc1cc(N2CCC[C@@]3(CC[N@H+](Cc4ccc(C)s4)C3)C2)ncn1 ZINC000096216515 132222658 /nfs/dbraw/zinc/22/26/58/132222658.db2.gz UVQGWLMQEPYWAG-IBGZPJMESA-N 1 0 358.511 3.348 40 0 FGABRO c1coc(C[N@@H+]2C[C@@H]3CN(c4ncccn4)CC[C@@]3(c3ccccc3)C2)c1 ZINC000247878632 132292130 /nfs/dbraw/zinc/29/21/30/132292130.db2.gz BHOFFDZNVARFKO-KNQAVFIVSA-N 1 0 360.461 3.350 40 0 FGABRO CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001437865 493794136 /nfs/dbraw/zinc/79/41/36/493794136.db2.gz WKRBIEGHCJQYMX-RBUKOAKNSA-N 1 0 354.406 3.374 40 0 FGABRO C[NH+]1CCN(c2ncccc2[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000072216610 494145241 /nfs/dbraw/zinc/14/52/41/494145241.db2.gz UCTNQVLGEXVYSK-QGZVFWFLSA-N 1 0 360.502 3.296 40 0 FGABRO [NH3+]CCc1nc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)no1 ZINC000072220487 494145494 /nfs/dbraw/zinc/14/54/94/494145494.db2.gz MURCGAKDOAQNJV-UHFFFAOYSA-N 1 0 350.300 3.444 40 0 FGABRO C[NH+](C)CC(=O)N1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 ZINC000072359764 494158724 /nfs/dbraw/zinc/15/87/24/494158724.db2.gz XBKUYSSODFACKT-UHFFFAOYSA-N 1 0 358.873 3.065 40 0 FGABRO Cc1cccc(C[NH+]2CCC(c3cc(=O)[nH]c(-c4ccccn4)n3)CC2)n1 ZINC000072392837 494162609 /nfs/dbraw/zinc/16/26/09/494162609.db2.gz XUBVPHPIFIGYIJ-UHFFFAOYSA-N 1 0 361.449 3.327 40 0 FGABRO O=c1cc([C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)nc(-c2ccccn2)[nH]1 ZINC000072393196 494163115 /nfs/dbraw/zinc/16/31/15/494163115.db2.gz QPNLPVLZBKFVLL-MRXNPFEDSA-N 1 0 364.424 3.351 40 0 FGABRO C[C@H]1CCC[N@H+](Cc2c3cccnc3n(CC(=O)N(C)C)c2C2CC2)C1 ZINC000072395396 494163219 /nfs/dbraw/zinc/16/32/19/494163219.db2.gz OMXNLQNFCJWKJB-HNNXBMFYSA-N 1 0 354.498 3.234 40 0 FGABRO CC[NH+]1CCN(c2ncc(-c3ccsc3)c(-c3cccnc3)n2)CC1 ZINC000012144367 494208409 /nfs/dbraw/zinc/20/84/09/494208409.db2.gz ATVCMEHWQMUSKK-UHFFFAOYSA-N 1 0 351.479 3.409 40 0 FGABRO O=C(NC1CC[NH+](Cc2cccc(F)c2)CC1)c1n[nH]c2c1CCCCC2 ZINC000012147359 494209597 /nfs/dbraw/zinc/20/95/97/494209597.db2.gz AEUOTXADNHYGAJ-UHFFFAOYSA-N 1 0 370.472 3.212 40 0 FGABRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000012188368 494211264 /nfs/dbraw/zinc/21/12/64/494211264.db2.gz CCEGAMZWPXUJBG-FQEVSTJZSA-N 1 0 374.431 3.126 40 0 FGABRO CCOc1ccc([C@@H](O)C[NH+]2CCC(O)(c3ccccc3C)CC2)cc1 ZINC000012327726 494224656 /nfs/dbraw/zinc/22/46/56/494224656.db2.gz MRLILVPXHCEKNO-NRFANRHFSA-N 1 0 355.478 3.411 40 0 FGABRO Cc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3c[nH]c4ccccc34)C2=O)c(C)c1 ZINC000014671957 494322688 /nfs/dbraw/zinc/32/26/88/494322688.db2.gz ASDGJGNMSKPMGD-LJQANCHMSA-N 1 0 361.445 3.249 40 0 FGABRO CC(=O)N1CCC(c2ncc3c(n2)CC[N@@H+](CC2CCCCC2)C3)CC1 ZINC000019016860 494434843 /nfs/dbraw/zinc/43/48/43/494434843.db2.gz GTOUOIPJSDIHPC-UHFFFAOYSA-N 1 0 356.514 3.141 40 0 FGABRO CCOC(=O)C1=C(C)Nc2[nH+]c3c(c(N)c2[C@H]1c1cccnc1)CCCC3 ZINC000045506748 494435117 /nfs/dbraw/zinc/43/51/17/494435117.db2.gz ONYCNUPACZTCCG-KRWDZBQOSA-N 1 0 364.449 3.332 40 0 FGABRO Cc1ccc(C[N@@H+]2CCC[C@H](Cn3nnc(-c4ccncc4)n3)C2)cc1C ZINC000019213994 494437888 /nfs/dbraw/zinc/43/78/88/494437888.db2.gz NHDRSBVESGHADV-IBGZPJMESA-N 1 0 362.481 3.264 40 0 FGABRO Cc1ccc(C2(O)C[C@H]3CC[C@@H](C2)[N@H+]3CC(C)(C)CN2CCOCC2)cc1 ZINC000019208452 494438217 /nfs/dbraw/zinc/43/82/17/494438217.db2.gz HGYNZVODVQVRNK-TYABSZSSSA-N 1 0 372.553 3.168 40 0 FGABRO Cc1cccc(CC(=O)N2CCC[C@H]3[NH2+]C[C@H](c4ccc(F)cc4)[C@H]32)c1 ZINC000019234774 494439629 /nfs/dbraw/zinc/43/96/29/494439629.db2.gz WZIFBHAVEMJFJY-KCZVDYSFSA-N 1 0 352.453 3.423 40 0 FGABRO O=C(NC1CC[NH+](CC2(c3cccc(F)c3)CCCC2)CC1)c1ccn[nH]1 ZINC000019293635 494440778 /nfs/dbraw/zinc/44/07/78/494440778.db2.gz BHCLOUCWJLBKMG-UHFFFAOYSA-N 1 0 370.472 3.255 40 0 FGABRO c1ccc2c(C[NH+]3CCC(c4nnc(-c5cnccn5)o4)CC3)ccnc2c1 ZINC000019376073 494443087 /nfs/dbraw/zinc/44/30/87/494443087.db2.gz TZMWOTPZBZPXMJ-UHFFFAOYSA-N 1 0 372.432 3.454 40 0 FGABRO COc1cccc([C@H]2CN(C(=O)c3cc(C(C)C)no3)[C@@H]3CCC[NH2+][C@@H]32)c1 ZINC000019452979 494445234 /nfs/dbraw/zinc/44/52/34/494445234.db2.gz KFBYQQKLJCCNBT-YVWKXTFCSA-N 1 0 369.465 3.167 40 0 FGABRO O=C(C[NH+]1CCCCCC1)N1CCCC[C@H]1c1n[nH]cc1-c1ccncc1 ZINC000019405454 494445434 /nfs/dbraw/zinc/44/54/34/494445434.db2.gz XTCPYGYXIGNPIL-IBGZPJMESA-N 1 0 367.497 3.401 40 0 FGABRO CC1CCN(C(=O)c2cc([C@@H]3CCC[N@H+](Cc4ccccn4)C3)no2)CC1 ZINC000019496762 494446144 /nfs/dbraw/zinc/44/61/44/494446144.db2.gz XTXCKSZTSKCFSM-QGZVFWFLSA-N 1 0 368.481 3.321 40 0 FGABRO CCC[NH+]1CCN(c2ncc(-c3nccn3C)c(-c3cccs3)n2)CC1 ZINC000019503485 494446388 /nfs/dbraw/zinc/44/63/88/494446388.db2.gz JYVIJBNVIDFNNU-UHFFFAOYSA-N 1 0 368.510 3.138 40 0 FGABRO CCn1c(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2ccccc2F)nc2ccccc21 ZINC000019524379 494447767 /nfs/dbraw/zinc/44/77/67/494447767.db2.gz UXETYMAMVZKLAU-UTKZUKDTSA-N 1 0 366.440 3.305 40 0 FGABRO CC(C)[C@H](CNC(=O)c1ccc2c(c1)nnn2C1CCCCC1)[NH+](C)C ZINC000019659416 494453729 /nfs/dbraw/zinc/45/37/29/494453729.db2.gz GEODJRVYPMNSET-IBGZPJMESA-N 1 0 357.502 3.253 40 0 FGABRO Cn1nccc1C(=O)N1CCCCC[C@@H]2[NH2+][C@H](Cc3ccccc3)C[C@@]21C ZINC000019713493 494456560 /nfs/dbraw/zinc/45/65/60/494456560.db2.gz BDVNBVMCFHYBHZ-CBQOVEMMSA-N 1 0 366.509 3.168 40 0 FGABRO CCN1C(=O)CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000019713130 494456591 /nfs/dbraw/zinc/45/65/91/494456591.db2.gz VETLLDICNFJSRV-RTBURBONSA-N 1 0 368.481 3.061 40 0 FGABRO CC[NH+](CC)Cc1ccccc1NC(=O)c1sc2[nH]cnc(=O)c2c1C ZINC000019717824 494457329 /nfs/dbraw/zinc/45/73/29/494457329.db2.gz SNOUMGBQIHELEP-UHFFFAOYSA-N 1 0 370.478 3.387 40 0 FGABRO COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cccnc2)C3)cc1 ZINC000096047047 494997952 /nfs/dbraw/zinc/99/79/52/494997952.db2.gz ZXWXGHIQCOTINM-JOCHJYFZSA-N 1 0 365.477 3.219 40 0 FGABRO c1nc2c(n1CC1CC1)[C@@H](COCC1CCOCC1)C[N@@H+](C1CCC1)C2 ZINC000096045173 494998471 /nfs/dbraw/zinc/99/84/71/494998471.db2.gz HJLMQCOPRUSYRI-GOSISDBHSA-N 1 0 359.514 3.188 40 0 FGABRO Cc1ccc(C[NH+]2CCC3(CCN(C(=O)Cc4cccnc4)CC3)CC2)o1 ZINC000096047331 494998662 /nfs/dbraw/zinc/99/86/62/494998662.db2.gz RZIVAWYMEYLOLF-UHFFFAOYSA-N 1 0 367.493 3.430 40 0 FGABRO CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3c(C)noc3C)CC2)c2ccccc21 ZINC000096052578 495000240 /nfs/dbraw/zinc/00/02/40/495000240.db2.gz KSGGGCNLNGKGCR-QGZVFWFLSA-N 1 0 367.493 3.449 40 0 FGABRO c1nc2c(n1CC1CC1)[C@@H](COCc1cccnc1)C[N@H+](CC1CC1)C2 ZINC000096068678 495001024 /nfs/dbraw/zinc/00/10/24/495001024.db2.gz SVUTWROJDIVMFG-LJQANCHMSA-N 1 0 352.482 3.214 40 0 FGABRO COc1cccc(C[N@@H+]2CCC3(C2)CCN(C(=O)C2CC=CC2)CC3)c1 ZINC000096157465 495005446 /nfs/dbraw/zinc/00/54/46/495005446.db2.gz UENLCSHHCPYCOX-UHFFFAOYSA-N 1 0 354.494 3.476 40 0 FGABRO C[N@H+](Cc1cccnc1)C1CC2(C1)CCN(C(=O)c1cscn1)CC2 ZINC000096159249 495005745 /nfs/dbraw/zinc/00/57/45/495005745.db2.gz NHYMCODHUDPIQS-UHFFFAOYSA-N 1 0 356.495 3.055 40 0 FGABRO Cc1ccc(C[N@H+]2CCc3cc(C(=O)N(C)C)c(NC(C)C)nc3CC2)o1 ZINC000096260430 495008958 /nfs/dbraw/zinc/00/89/58/495008958.db2.gz UGQSDSSVZBYBSL-UHFFFAOYSA-N 1 0 370.497 3.106 40 0 FGABRO CC(C)[NH+]1CCC2(CC1)C[C@@H](NC(=O)[C@H]1CCCO1)c1ccccc1O2 ZINC000096242726 495009011 /nfs/dbraw/zinc/00/90/11/495009011.db2.gz RLSQPVNOMDUGCA-IEBWSBKVSA-N 1 0 358.482 3.048 40 0 FGABRO CC(C)n1ccc(-c2cc(C(=O)N3CCC[N@H+](C)CC3)c3ccccn23)n1 ZINC000096266678 495009114 /nfs/dbraw/zinc/00/91/14/495009114.db2.gz UNNOKLXQNYDGLE-UHFFFAOYSA-N 1 0 365.481 3.161 40 0 FGABRO COC[C@H]1C[N@H+](C)CC12CCN(C(=O)Cc1csc3ccccc13)CC2 ZINC000248027546 496945207 /nfs/dbraw/zinc/94/52/07/496945207.db2.gz MYVLLXMHSZWDCU-QGZVFWFLSA-N 1 0 372.534 3.261 40 0 FGABRO C[NH+](C)CC[C@H]1CN(C(=O)c2cc3ccccc3s2)Cc2ccnn21 ZINC000248110139 496955236 /nfs/dbraw/zinc/95/52/36/496955236.db2.gz KAXUABRWZPNRCI-INIZCTEOSA-N 1 0 354.479 3.247 40 0 FGABRO COC[C@@H]1C[N@H+](CC(C)C)CC12CCN(C(=O)c1cccc(OC)c1)CC2 ZINC000248225741 496973790 /nfs/dbraw/zinc/97/37/90/496973790.db2.gz JEAMHHDUHLEFIX-IBGZPJMESA-N 1 0 374.525 3.152 40 0 FGABRO Cc1cc(-c2cnc(N3CC[N@@H+]4CCC[C@H]4C3)nc2-c2cccs2)on1 ZINC000253599993 497345260 /nfs/dbraw/zinc/34/52/60/497345260.db2.gz BOGRBGYMYWSEAW-AWEZNQCLSA-N 1 0 367.478 3.453 40 0 FGABRO C[N@@H+](Cc1ccc(OCCF)cc1)C[C@@H](O)Cn1ccc2ccccc21 ZINC000257212998 497390717 /nfs/dbraw/zinc/39/07/17/497390717.db2.gz CFTVXMMKVNSIHM-LJQANCHMSA-N 1 0 356.441 3.483 40 0 FGABRO C[NH2+]C[C@H]1CC[C@H](c2cc(CN(C)C(=O)C[C@@H]3C=CCC3)n(C)n2)CC1 ZINC000257203252 497390924 /nfs/dbraw/zinc/39/09/24/497390924.db2.gz APFTXEGDHXAHMH-KZNAEPCWSA-N 1 0 358.530 3.228 40 0 FGABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccccc3)C2)cc1 ZINC000257214080 497391615 /nfs/dbraw/zinc/39/16/15/497391615.db2.gz CKLDIGJYAVIGIJ-NRFANRHFSA-N 1 0 354.450 3.051 40 0 FGABRO Cc1ncsc1C[N@@H+]1CC[C@@H]2O[C@@](C)(COc3cccnc3)C[C@@H]2C1 ZINC000257220491 497391660 /nfs/dbraw/zinc/39/16/60/497391660.db2.gz DLAYYGYKCLUMGB-HHXXYDBFSA-N 1 0 359.495 3.295 40 0 FGABRO O=C(c1c[nH]nc1C1CC[NH+](Cc2ccccn2)CC1)N1CCCCCC1 ZINC000257236138 497393119 /nfs/dbraw/zinc/39/31/19/497393119.db2.gz HAYIQPQTOXFORJ-UHFFFAOYSA-N 1 0 367.497 3.201 40 0 FGABRO Cc1ncsc1C[N@H+]1CCC[C@H](c2nc(C)cc(-c3nccn3C)n2)C1 ZINC000257227863 497393131 /nfs/dbraw/zinc/39/31/31/497393131.db2.gz FRGWSSCCQGFTND-HNNXBMFYSA-N 1 0 368.510 3.330 40 0 FGABRO C[NH2+]Cc1cc([C@H]2CC[C@H](CN(C)C(=O)[C@@H]3CC=CCC3)CC2)nn1C ZINC000257234276 497394030 /nfs/dbraw/zinc/39/40/30/497394030.db2.gz GSVRWQBJGISZPS-KZNAEPCWSA-N 1 0 358.530 3.228 40 0 FGABRO Cc1nc(Nc2nccnc2C2CCN(Cc3cc[nH]n3)CC2)sc1C ZINC000257261148 497396126 /nfs/dbraw/zinc/39/61/26/497396126.db2.gz LFYLREBDWDEGGY-UHFFFAOYSA-N 1 0 369.498 3.396 40 0 FGABRO Cc1cc2cc(C(=O)N3CCO[C@@H](c4cc(N)cc(C)[nH+]4)C3)ccc2o1 ZINC000257272271 497397473 /nfs/dbraw/zinc/39/74/73/497397473.db2.gz NBSLSNBSRZWXRO-LJQANCHMSA-N 1 0 351.406 3.241 40 0 FGABRO Fc1ccccc1C[N@@H+]1CCC[C@@H](Cc2cncc(-c3ncc[nH]3)n2)C1 ZINC000257291840 497399875 /nfs/dbraw/zinc/39/98/75/497399875.db2.gz QIVDPSITIOXHQF-HNNXBMFYSA-N 1 0 351.429 3.461 40 0 FGABRO CN(C)c1cc([C@@H]2CCCN(C(=O)c3cc(C(C)(C)C)n[nH]3)C2)ccn1 ZINC000257300499 497400997 /nfs/dbraw/zinc/40/09/97/497400997.db2.gz RUNVENYAGRXRPP-OAHLLOKOSA-N 1 0 355.486 3.188 40 0 FGABRO O=C(Cc1ccccc1)N1CC[C@@H]2[C@H](C1)CCCC[N@@H+]2CC1CCOCC1 ZINC000257308167 497401955 /nfs/dbraw/zinc/40/19/55/497401955.db2.gz TVRLXIOKJWUWDW-FCHUYYIVSA-N 1 0 370.537 3.359 40 0 FGABRO CC(C)[C@@H]([NH3+])C(=O)N1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]2C1 ZINC000257317266 497402523 /nfs/dbraw/zinc/40/25/23/497402523.db2.gz VJBRXPGKXKKFIP-UZKILMIQSA-N 1 0 372.509 3.136 40 0 FGABRO CCn1ccnc1CN1[C@H](c2ccccc2F)C[C@H]2NC(=O)CCCC[C@@H]21 ZINC000257325855 497403720 /nfs/dbraw/zinc/40/37/20/497403720.db2.gz WUSVEVULYZYMSS-QYZOEREBSA-N 1 0 370.472 3.417 40 0 FGABRO CCN(CC)C(=O)C[NH+]1CCC(c2cccc(Nc3ccccn3)n2)CC1 ZINC000257333948 497403923 /nfs/dbraw/zinc/40/39/23/497403923.db2.gz YDVCALHFRHQMOP-UHFFFAOYSA-N 1 0 367.497 3.268 40 0 FGABRO [NH3+]C[C@H]1CC[C@H]([C@H](NC(=O)Cc2cccc(F)c2)c2ccccn2)CC1 ZINC000257337150 497405335 /nfs/dbraw/zinc/40/53/35/497405335.db2.gz YRPPMPPGADEFAZ-WJPUGNRLSA-N 1 0 355.457 3.386 40 0 FGABRO CC[NH+](CC)C[C@H]1CCC2(CN(C(=O)c3cc4ccccc4[nH]3)C2)OC1 ZINC000575405739 505973292 /nfs/dbraw/zinc/97/32/92/505973292.db2.gz ZPBFZGZQXREIRW-MRXNPFEDSA-N 1 0 355.482 3.131 40 0 FGABRO Fc1cccnc1OCC[C@H]1Cn2cccc2C[N@@H+](C2CCOCC2)C1 ZINC000585095251 507566968 /nfs/dbraw/zinc/56/69/68/507566968.db2.gz JXAFGNDZRRJAAD-INIZCTEOSA-N 1 0 359.445 3.102 40 0 FGABRO Cc1ccc(C2(C(=O)N3CCC[C@@]4(CC[N@@H+]4C[C@@H]4CCCO4)C3)CC2)cc1 ZINC000585102051 507567857 /nfs/dbraw/zinc/56/78/57/507567857.db2.gz OPSRTHRDMXKSCO-RBBKRZOGSA-N 1 0 368.521 3.273 40 0 FGABRO C[N@@H+]1CCN(Cc2cncs2)C[C@H](Cc2cncc3ccccc32)C1 ZINC000585261157 507579957 /nfs/dbraw/zinc/57/99/57/507579957.db2.gz UQDWREQTYJBZJL-MRXNPFEDSA-N 1 0 352.507 3.298 40 0 FGABRO Cc1ccncc1C[N@@H+]1CCC[C@@H](c2ccnc(Nc3cnccn3)c2)C1 ZINC000585182518 507580087 /nfs/dbraw/zinc/58/00/87/507580087.db2.gz XFPVNLKOMIXARD-GOSISDBHSA-N 1 0 360.465 3.120 40 0 FGABRO O=C1CCCC[C@@H]2[C@H](CC[N@H+]2C[C@@]2(O)CC[C@H](c3ccccc3)CC2)N1 ZINC000585282294 507583555 /nfs/dbraw/zinc/58/35/55/507583555.db2.gz CXKCVNXLTOGDHQ-ITTUMRLJSA-N 1 0 356.510 3.208 40 0 FGABRO Cc1ccc2[nH]c(=O)c(C[NH2+]C[C@@H](O)COc3cccc(C)c3C)cc2c1 ZINC000585285668 507587041 /nfs/dbraw/zinc/58/70/41/507587041.db2.gz RQHZJMFQQIZNBY-LJQANCHMSA-N 1 0 366.461 3.395 40 0 FGABRO CC[C@H](OC[C@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000023224652 536033950 /nfs/dbraw/zinc/03/39/50/536033950.db2.gz QTJLKSUHKYWLJD-YADHBBJMSA-N 1 0 372.484 3.477 40 0 FGABRO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@@H+](C(C)C)C[C@H]2N(C)C3=O)c1 ZINC000514290063 560030857 /nfs/dbraw/zinc/03/08/57/560030857.db2.gz RMTIJCKNMNSIFL-CTNGQTDRSA-N 1 0 366.461 3.288 40 0 biogenic,in-vitro FGABRO CCCC[NH2+][C@H](c1ccc2c(c1)OCO2)[C@@H](O)c1ccc2c(c1)OCO2 ZINC000001667307 204016301 /nfs/dbraw/zinc/01/63/01/204016301.db2.gz HVRXOTZKIFBAIX-UXHICEINSA-N 1 0 357.406 3.308 40 0 FGABRO CCOc1ccc(NC(=O)CC[NH+]2CCC(O)(c3ccccc3)CC2)cc1 ZINC000001726861 204018078 /nfs/dbraw/zinc/01/80/78/204018078.db2.gz ZOOCPGGPTLKXGE-UHFFFAOYSA-N 1 0 368.477 3.398 40 0 FGABRO CC[NH+](CC)CCSc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 ZINC000001872287 204021636 /nfs/dbraw/zinc/02/16/36/204021636.db2.gz SWVOGYGBJDEOSK-UHFFFAOYSA-N 1 0 367.471 3.196 40 0 FGABRO CCOC(=O)[C@@H]1C(c2ccccc2Cl)[C@@H](C(=O)OCC)[C@H](C)[NH2+][C@@H]1C ZINC000005328093 204203470 /nfs/dbraw/zinc/20/34/70/204203470.db2.gz NEWAJILYNWSANI-WNCCPSPASA-N 1 0 367.873 3.162 40 0 FGABRO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(Br)cc1 ZINC000005672812 204221176 /nfs/dbraw/zinc/22/11/76/204221176.db2.gz BSMSXZZANUSLQQ-GDBMZVCRSA-N 1 0 351.288 3.443 40 0 FGABRO COc1ccc(C)cc1C[N@@H+]1C[C@@H]2CC[C@](O)(c3ccc(C)cn3)[C@@H]2C1 ZINC000036734783 204386657 /nfs/dbraw/zinc/38/66/57/204386657.db2.gz LPAQBXVYIBNNSL-LRXVAGHRSA-N 1 0 352.478 3.437 40 0 FGABRO Cc1cccc(CS(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000044872241 205112515 /nfs/dbraw/zinc/11/25/15/205112515.db2.gz QIFFENQOEGFUPM-UHFFFAOYSA-N 1 0 358.507 3.210 40 0 FGABRO CCCOc1ccc(N2C(=O)C[C@@H]([NH+]3C[C@H]4CCCC[C@@H]4C3)C2=O)cc1 ZINC000015084259 205570756 /nfs/dbraw/zinc/57/07/56/205570756.db2.gz SGNKJFGZXJBOKV-GPMSIDNRSA-N 1 0 356.466 3.229 40 0 FGABRO CC[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=S)Nc1cc(OC)cc(OC)c1 ZINC000008254553 206214266 /nfs/dbraw/zinc/21/42/66/206214266.db2.gz KJTANPQTPGUKEA-OFQRWUPVSA-N 1 0 363.527 3.111 40 0 biogenic,in-vitro FGABRO COc1ccc(CC[NH2+]Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1OC ZINC000013998567 206306928 /nfs/dbraw/zinc/30/69/28/206306928.db2.gz BLVUJGUTJOFMLD-UHFFFAOYSA-N 1 0 366.461 3.494 40 0 FGABRO C[NH+](C)C[C@H]1Cn2nccc2CN(C(=O)c2cc3cc(Cl)ccc3o2)C1 ZINC000248139265 206570576 /nfs/dbraw/zinc/57/05/76/206570576.db2.gz SSBBDXPWSUJTRN-CYBMUJFWSA-N 1 0 372.856 3.117 40 0 FGABRO c1coc(C[N@@H+]2C[C@H]3CN(c4ncccn4)CC[C@@]3(c3ccccc3)C2)c1 ZINC000096083306 132218661 /nfs/dbraw/zinc/21/86/61/132218661.db2.gz BHOFFDZNVARFKO-UGKGYDQZSA-N 1 0 360.461 3.350 40 0 FGABRO Cc1cccc(N2CC[NH+](C[C@@H](O)c3ccc4c(c3)OCCCO4)CC2)c1 ZINC000019235122 136152351 /nfs/dbraw/zinc/15/23/51/136152351.db2.gz BJCHHSMZSXEWDG-HXUWFJFHSA-N 1 0 368.477 3.012 40 0 FGABRO COc1ccccc1OCc1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000002763662 493818177 /nfs/dbraw/zinc/81/81/77/493818177.db2.gz JEXTZQCTSOIZIM-LJQANCHMSA-N 1 0 366.461 3.194 40 0 FGABRO CCN1CCN(C(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)CC1 ZINC000006953415 493989532 /nfs/dbraw/zinc/98/95/32/493989532.db2.gz SSYHVZUNDDYWRN-UHFFFAOYSA-N 1 0 363.505 3.023 40 0 FGABRO O=C(C[NH2+]Cc1ccc2c(c1)OCO2)Nc1ccccc1N1CCCCC1 ZINC000035311437 494074381 /nfs/dbraw/zinc/07/43/81/494074381.db2.gz UFXISIGJVQEGOD-UHFFFAOYSA-N 1 0 367.449 3.134 40 0 FGABRO COc1ccc(-c2c(C)nn3c2nc(C)c(C)c3NCC[NH+](C)C)cc1 ZINC000072341716 494154641 /nfs/dbraw/zinc/15/46/41/494154641.db2.gz QVQCPRLXPQYGEP-UHFFFAOYSA-N 1 0 353.470 3.304 40 0 FGABRO CCc1ncc(C[N@@H+]2C[C@H]3CCC[C@](O)(c4ccccc4OC)[C@@H]3C2)cn1 ZINC000072340981 494155075 /nfs/dbraw/zinc/15/50/75/494155075.db2.gz RAEYJWJNGGKLRB-JUXOCIIHSA-N 1 0 367.493 3.167 40 0 FGABRO CN(C)C(=O)C[N@@H+]1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000072349525 494156148 /nfs/dbraw/zinc/15/61/48/494156148.db2.gz LEZLGUGRCZYHQJ-KRWDZBQOSA-N 1 0 355.457 3.079 40 0 FGABRO Cc1ccc([C@]2(O)CC[C@H]3C[N@H+](Cc4cc(C)c(O)c(C)c4)C[C@H]32)nc1 ZINC000072392565 494162251 /nfs/dbraw/zinc/16/22/51/494162251.db2.gz AJEXAIJBQNNJCU-JQVVWYNYSA-N 1 0 352.478 3.442 40 0 FGABRO O=c1cc([C@H]2CCC[N@H+](Cc3ccsc3)C2)nc(-c2ccccn2)[nH]1 ZINC000072393217 494163250 /nfs/dbraw/zinc/16/32/50/494163250.db2.gz SOXTVRREHGMXIS-HNNXBMFYSA-N 1 0 352.463 3.273 40 0 FGABRO Cc1cccc(C[N@@H+]2CCCC[C@H]3CN(c4ncnc5nc[nH]c54)C[C@H]32)c1 ZINC000072399189 494163814 /nfs/dbraw/zinc/16/38/14/494163814.db2.gz FNVOTESIAURNHP-ZWKOTPCHSA-N 1 0 362.481 3.152 40 0 FGABRO C[C@H](C(=O)N1CCC(c2nc3ccccc3cc2N)CC1)[NH+]1CCCC1 ZINC000012087814 494202755 /nfs/dbraw/zinc/20/27/55/494202755.db2.gz QJUQFUIRMHQWBC-OAHLLOKOSA-N 1 0 352.482 3.007 40 0 FGABRO C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(c2ccc3c(c2)OCO3)CC1 ZINC000012113986 494204827 /nfs/dbraw/zinc/20/48/27/494204827.db2.gz UJUJZXXDKOFPPD-IYBDPMFKSA-N 1 0 358.482 3.384 40 0 FGABRO CCCOc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1nccn1C)C2 ZINC000012117024 494205774 /nfs/dbraw/zinc/20/57/74/494205774.db2.gz KEZNMZKTSSOTKA-HTZLVSCSSA-N 1 0 355.482 3.224 40 0 FGABRO COc1cccc(C[NH+]2CCC(c3cc(N)n4nc(C)cc4n3)CC2)c1 ZINC000012121492 494207317 /nfs/dbraw/zinc/20/73/17/494207317.db2.gz GHMMKJKKRYZLNJ-UHFFFAOYSA-N 1 0 351.454 3.008 40 0 FGABRO Cc1cc(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)c(C)s1 ZINC000012122607 494207422 /nfs/dbraw/zinc/20/74/22/494207422.db2.gz PWJXYNPQLHBIDN-UHFFFAOYSA-N 1 0 352.463 3.481 40 0 FGABRO O[C@@]1(c2ccccc2)CC[N@H+](Cc2ccccc2OC[C@@H]2CCCO2)C1 ZINC000012241347 494217199 /nfs/dbraw/zinc/21/71/99/494217199.db2.gz NENIBONWCBTBBS-UNMCSNQZSA-N 1 0 353.462 3.338 40 0 FGABRO Cc1cccc(C2(O)CC[NH+](C[C@@H](O)c3ccc4c(c3)C[C@@H](C)O4)CC2)c1 ZINC000012361312 494226381 /nfs/dbraw/zinc/22/63/81/494226381.db2.gz LOGIFICAZOISOG-DYESRHJHSA-N 1 0 367.489 3.335 40 0 FGABRO CC(C)(C)Nc1c(C2CCN(C(=O)[C@H]3CCOC3)CC2)[nH+]c2ccccn21 ZINC000019083125 494435846 /nfs/dbraw/zinc/43/58/46/494435846.db2.gz SHRFLCVTQYKWRB-INIZCTEOSA-N 1 0 370.497 3.287 40 0 FGABRO Cc1cc(N2CCN(C(=O)CCC[NH+]3CCCC3)CC2)nc2ccccc12 ZINC000019118951 494436036 /nfs/dbraw/zinc/43/60/36/494436036.db2.gz MZXGRRFHAYWDAX-UHFFFAOYSA-N 1 0 366.509 3.068 40 0 FGABRO CC1CCN(C(=O)c2cc([C@H]3CCC[N@H+](Cc4ccncc4)C3)no2)CC1 ZINC000019496769 494446343 /nfs/dbraw/zinc/44/63/43/494446343.db2.gz RTFXRUONLCABEP-SFHVURJKSA-N 1 0 368.481 3.321 40 0 FGABRO CCn1c(CCC(=O)NCC[N@H+](C)C2CCCCC2)nc2ccccc21 ZINC000019524286 494448043 /nfs/dbraw/zinc/44/80/43/494448043.db2.gz GGGLHSPHUZYTNZ-UHFFFAOYSA-N 1 0 356.514 3.370 40 0 FGABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000019575924 494451524 /nfs/dbraw/zinc/45/15/24/494451524.db2.gz ZIENODVQWPXTOT-NWANDNLSSA-N 1 0 364.848 3.378 40 0 FGABRO CC[N@H+](C)[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2)C2(C1)CCCCC2 ZINC000019704918 494455472 /nfs/dbraw/zinc/45/54/72/494455472.db2.gz DJUIPWZGTUVHCG-INIZCTEOSA-N 1 0 354.491 3.243 40 0 FGABRO Cc1cc(C)n(-c2ccc(C(=O)N3CCCC[C@H]3CC[NH+](C)C)cc2)n1 ZINC000019714022 494456173 /nfs/dbraw/zinc/45/61/73/494456173.db2.gz VCCNCLHINDLTGC-IBGZPJMESA-N 1 0 354.498 3.436 40 0 FGABRO Cc1cccc(CN(C)Cc2cc(N(C)C)nc([C@H]3CCCC[NH2+]3)n2)c1 ZINC000019709864 494456428 /nfs/dbraw/zinc/45/64/28/494456428.db2.gz SJEBAFDTWGFOBG-LJQANCHMSA-N 1 0 353.514 3.298 40 0 FGABRO COc1ccc(C[NH+]2CCC3(CC2)CN(c2ccsc2)C(=O)CO3)cc1 ZINC000096049251 494999719 /nfs/dbraw/zinc/99/97/19/494999719.db2.gz SQDWBEDUQBQMPN-UHFFFAOYSA-N 1 0 372.490 3.155 40 0 FGABRO COc1ccc(C[N@@H+]2CCC[C@]3(CCN(Cc4ccncc4)C3=O)C2)cc1 ZINC000096048662 494999872 /nfs/dbraw/zinc/99/98/72/494999872.db2.gz PZNUNHMQWGDSHP-QFIPXVFZSA-N 1 0 365.477 3.105 40 0 FGABRO O=C1CCC2(CC[NH+](Cc3ccc(F)cc3)CC2)N1Cc1cccnc1 ZINC000096049378 495000170 /nfs/dbraw/zinc/00/01/70/495000170.db2.gz BNOIPFYDWXFANV-UHFFFAOYSA-N 1 0 353.441 3.378 40 0 FGABRO Cc1cncc(C(=O)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccco4)[C@@H]3C2)c1 ZINC000096054588 495000282 /nfs/dbraw/zinc/00/02/82/495000282.db2.gz ZYPHREITWGMBIL-DBVUQKKJSA-N 1 0 353.466 3.356 40 0 FGABRO FC(F)(F)c1ccc(C[NH2+]C[C@H]2COCc3nc4cccnc4n32)cc1 ZINC000096112794 495001868 /nfs/dbraw/zinc/00/18/68/495001868.db2.gz DBWFKLZERHBDOU-AWEZNQCLSA-N 1 0 362.355 3.311 40 0 biogenic,in-vitro FGABRO COc1ccccc1C[NH+]1CCC2(C[C@@H](Oc3ccccn3)CO2)CC1 ZINC000096106997 495002019 /nfs/dbraw/zinc/00/20/19/495002019.db2.gz BQOWMKGDRQKYDX-GOSISDBHSA-N 1 0 354.450 3.293 40 0 FGABRO Cc1csc(C[NH+]2CCC3(CCOC[C@H]3COCC3CC3)CC2)n1 ZINC000096209037 495006637 /nfs/dbraw/zinc/00/66/37/495006637.db2.gz ZXZAXYYBZZIZJP-KRWDZBQOSA-N 1 0 350.528 3.497 40 0 FGABRO CC(C)[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1 ZINC000096228736 495007502 /nfs/dbraw/zinc/00/75/02/495007502.db2.gz VVHIYJKMENPWBG-OAQYLSRUSA-N 1 0 355.482 3.131 40 0 FGABRO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4ccc[nH]4)C3)C2)c1 ZINC000096215625 495007991 /nfs/dbraw/zinc/00/79/91/495007991.db2.gz AAUFDWDIEWHLSZ-NRFANRHFSA-N 1 0 353.466 3.152 40 0 FGABRO C[NH+]1CCC2(CC1)CN(C(=O)c1ccc3c(c1)OCO3)Cc1ccccc12 ZINC000096242397 495008853 /nfs/dbraw/zinc/00/88/53/495008853.db2.gz SFNNNSSHAIVIRS-UHFFFAOYSA-N 1 0 364.445 3.035 40 0 FGABRO C[NH+](C)CC[C@@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)Cc2ccnn21 ZINC000248148177 496963796 /nfs/dbraw/zinc/96/37/96/496963796.db2.gz WOBIPRZQGKAHBU-MRXNPFEDSA-N 1 0 372.856 3.432 40 0 FGABRO Cc1cc(S(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)ccc1F ZINC000224520321 497049830 /nfs/dbraw/zinc/04/98/30/497049830.db2.gz FSQPZPOKDUCODC-UHFFFAOYSA-N 1 0 362.470 3.208 40 0 FGABRO CC(C)C[NH+]1CCC(O)(c2csc(CN(C)Cc3cccnc3)n2)CC1 ZINC000225475937 497063576 /nfs/dbraw/zinc/06/35/76/497063576.db2.gz XFZTXIUTWMCUHS-UHFFFAOYSA-N 1 0 374.554 3.110 40 0 biogenic,in-vitro FGABRO CN(Cc1nc(C2(O)CC[NH+](C3CCC3)CC2)cs1)Cc1cccnc1 ZINC000225475608 497063952 /nfs/dbraw/zinc/06/39/52/497063952.db2.gz GRKFFOKXAUQWKB-UHFFFAOYSA-N 1 0 372.538 3.006 40 0 biogenic,in-vitro FGABRO COc1cc2c(cc1OC)[C@H](C)N([C@@H]1CCC[N@H+](C[C@H]3CCOC3)C1)CC2 ZINC000253588977 497344055 /nfs/dbraw/zinc/34/40/55/497344055.db2.gz CTQLUGWXNRBAFM-YQVWRLOYSA-N 1 0 374.525 3.124 40 0 FGABRO CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](N(C(=O)OC(C)(C)C)C(C)C)CC1 ZINC000242548446 497354787 /nfs/dbraw/zinc/35/47/87/497354787.db2.gz LLXDYWCPBMVTED-JYJNAYRXSA-N 1 0 355.523 3.043 40 0 FGABRO O=C(/C=C/c1ccsc1)NCC1CC[NH+](C2CCSCC2)CC1 ZINC000245131279 497374673 /nfs/dbraw/zinc/37/46/73/497374673.db2.gz VMHIBZUVFTXBMP-UHFFFAOYSA-N 1 0 350.553 3.485 40 0 FGABRO Cc1cnc([C@@H]2CCCN(C(=O)CC[N@@H+](C)Cc3ccccn3)C2)s1 ZINC000257202419 497390838 /nfs/dbraw/zinc/39/08/38/497390838.db2.gz ALRXSAVBYZESGB-MRXNPFEDSA-N 1 0 358.511 3.075 40 0 FGABRO COCC(=O)N1CCC[C@H](c2cc(Nc3cccc(OC)c3)cc(C)[nH+]2)C1 ZINC000257213665 497392356 /nfs/dbraw/zinc/39/23/56/497392356.db2.gz CIPODUQYFLWTIE-INIZCTEOSA-N 1 0 369.465 3.495 40 0 FGABRO CCCCn1cc(CN2CCC[C@H]2c2nccc(C[NH+](C)C)n2)c(C)n1 ZINC000257250163 497395513 /nfs/dbraw/zinc/39/55/13/497395513.db2.gz JLHZJNAEVYSNFI-IBGZPJMESA-N 1 0 356.518 3.180 40 0 FGABRO C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)NCC[NH+](C)C)c1O)OC2(C)C ZINC000257273639 497397624 /nfs/dbraw/zinc/39/76/24/497397624.db2.gz NHNBIFDZIUCKGA-FVQBIDKESA-N 1 0 360.498 3.374 40 0 FGABRO O=C1N[C@@H](c2ccccc2)[C@H](O)CC12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000257282463 497399623 /nfs/dbraw/zinc/39/96/23/497399623.db2.gz OTVRJWJNKWNCAD-UXHICEINSA-N 1 0 368.452 3.030 40 0 FGABRO Cc1ncsc1C[N@@H+]1CCC[C@H](c2nc(C)cc(-c3ncc[nH]3)n2)C1 ZINC000257285720 497399819 /nfs/dbraw/zinc/39/98/19/497399819.db2.gz PILRLYXGYHVKHR-AWEZNQCLSA-N 1 0 354.483 3.320 40 0 FGABRO Cc1ncsc1C[NH+]1CCC(Cc2nccnc2-c2ncc[nH]2)CC1 ZINC000257307357 497400537 /nfs/dbraw/zinc/40/05/37/497400537.db2.gz SYHOJKWBOXPSEQ-UHFFFAOYSA-N 1 0 354.483 3.086 40 0 FGABRO COC(=O)c1ccc(C)c(NC(=S)NCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000260739864 497406138 /nfs/dbraw/zinc/40/61/38/497406138.db2.gz QCCUFOOCZMHVHQ-AWEZNQCLSA-N 1 0 363.527 3.190 40 0 FGABRO c1csc(-c2cnc3n2C[C@]2(CC[N@@H+](Cc4cccnc4)C2)OC3)c1 ZINC000306127503 498738842 /nfs/dbraw/zinc/73/88/42/498738842.db2.gz GAEMBYISXYIDGC-LJQANCHMSA-N 1 0 352.463 3.182 40 0 FGABRO c1ccc(C[N@@H+]2CC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)nc1 ZINC000306133190 498740473 /nfs/dbraw/zinc/74/04/73/498740473.db2.gz MEPIFNKOSHINJH-SFHVURJKSA-N 1 0 356.433 3.176 40 0 FGABRO CCOC[C@H]1CC[N@H+](CC2CC2)C2(CN(C(=O)c3cc(C)nc(C)c3)C2)C1 ZINC000306137384 498741045 /nfs/dbraw/zinc/74/10/45/498741045.db2.gz QUZBAERCXANCEC-IBGZPJMESA-N 1 0 371.525 3.052 40 0 FGABRO c1ccc(CN2C[C@@]3(CC[N@H+](Cc4ccncc4)C3)c3ncccc32)nc1 ZINC000306145049 498743488 /nfs/dbraw/zinc/74/34/88/498743488.db2.gz ZWBQWKFXPCZHJN-QFIPXVFZSA-N 1 0 357.461 3.036 40 0 FGABRO Cc1cccc(C)c1Nc1cc(C(F)(F)F)nc(NCCC[NH+](C)C)n1 ZINC000329044278 499024179 /nfs/dbraw/zinc/02/41/79/499024179.db2.gz SWEQMWXAJHYGME-UHFFFAOYSA-N 1 0 367.419 3.063 40 0 FGABRO CC(C)[C@H](CO)Nc1nc(NCc2ccccc2Cl)cc(C2CC2)[nH+]1 ZINC000329064463 499030576 /nfs/dbraw/zinc/03/05/76/499030576.db2.gz XKGRLMFVSOHUKR-KRWDZBQOSA-N 1 0 360.889 3.470 40 0 FGABRO c1ccc(C[NH+]2C[C@@H]3CN(c4ccc(-c5ccncc5)nn4)C[C@H]3C2)cc1 ZINC000409429236 499596293 /nfs/dbraw/zinc/59/62/93/499596293.db2.gz QGFRAOOKXWDGOU-WOJBJXKFSA-N 1 0 357.461 3.107 40 0 FGABRO c1ccc(C[N@H+]2C[C@H]3CN(c4ccc(-c5cccnc5)nn4)C[C@H]3C2)cc1 ZINC000409426238 499596362 /nfs/dbraw/zinc/59/63/62/499596362.db2.gz DVCXFCHGBNALLS-BGYRXZFFSA-N 1 0 357.461 3.107 40 0 FGABRO CCCn1cc(C[N@@H+]2CCC[C@](O)(COc3ccc(C)c(C)c3)C2)cn1 ZINC000585273702 507582103 /nfs/dbraw/zinc/58/21/03/507582103.db2.gz XKIUFZRQGQZZBY-OAQYLSRUSA-N 1 0 357.498 3.316 40 0 FGABRO O[C@]1(COc2ccc(F)c(F)c2)COCC[N@@H+](C2CCCCCC2)C1 ZINC000585284072 507583661 /nfs/dbraw/zinc/58/36/61/507583661.db2.gz UQOHGVSYJONBQG-IBGZPJMESA-N 1 0 355.425 3.130 40 0 FGABRO CC1(C)CCC([N@@H+]2CC[C@H](O)[C@@](O)(COc3cccc(F)c3F)C2)CC1 ZINC000585288131 507586215 /nfs/dbraw/zinc/58/62/15/507586215.db2.gz XGTMOUYBGSQJOB-PXNSSMCTSA-N 1 0 369.452 3.110 40 0 FGABRO OCC[C@@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000624289072 571145767 /nfs/dbraw/zinc/14/57/67/571145767.db2.gz DBOAYYGZVBRDJX-ZWKOTPCHSA-N 1 0 373.324 3.260 40 0 FGABRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000006462778 203814933 /nfs/dbraw/zinc/81/49/33/203814933.db2.gz GNNHOJVQWWGGFE-UHFFFAOYSA-N 1 0 354.454 3.402 40 0 FGABRO CN(CC[NH+]1CCCCC1)C(=O)[C@@](O)(c1ccccc1)C1CCCCC1 ZINC000005048107 204188622 /nfs/dbraw/zinc/18/86/22/204188622.db2.gz DKIBIYZRPUJJPU-JOCHJYFZSA-N 1 0 358.526 3.399 40 0 FGABRO CCCC[NH2+][C@H](C(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 ZINC000005973608 204232362 /nfs/dbraw/zinc/23/23/62/204232362.db2.gz QYUZPLANQFRMCC-IBGZPJMESA-N 1 0 355.390 3.458 40 0 FGABRO CC[NH+](CC)CCCNC(=S)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000035310808 204236096 /nfs/dbraw/zinc/23/60/96/204236096.db2.gz YNNAPDIPNQLMNI-INIZCTEOSA-N 1 0 373.570 3.349 40 0 FGABRO CCCN(CC1CC1)C(=O)Cn1cccc2cc(C3CC[NH2+]CC3)nc1-2 ZINC000012234116 204444667 /nfs/dbraw/zinc/44/46/67/204444667.db2.gz MWGYFAIGAAMAOY-UHFFFAOYSA-N 1 0 354.498 3.104 40 0 FGABRO COc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1C ZINC000030325360 204908871 /nfs/dbraw/zinc/90/88/71/204908871.db2.gz COYKWFQDFFICRA-UHFFFAOYSA-N 1 0 374.506 3.078 40 0 FGABRO CN(C)C(=O)C[C@@H]1CC2(CC[NH+](C[C@H]3CCOC3)CC2)c2ccccc21 ZINC000096161236 205841423 /nfs/dbraw/zinc/84/14/23/205841423.db2.gz QWAHALJEOWKBDK-QZTJIDSGSA-N 1 0 356.510 3.022 40 0 FGABRO Cc1ccc(C[N@@H+]2CC[C@@H]3OCCN(C(=O)c4ccco4)[C@H]3C2)cc1C ZINC000108534325 206033866 /nfs/dbraw/zinc/03/38/66/206033866.db2.gz JZAVPGAYBUNIBI-OALUTQOASA-N 1 0 354.450 3.012 40 0 FGABRO CCOc1cc(CNCC[NH+](C)C)c(Br)cc1OC(C)C ZINC000022945085 206335286 /nfs/dbraw/zinc/33/52/86/206335286.db2.gz CEQRZAMHOFPJND-UHFFFAOYSA-N 1 0 359.308 3.286 40 0 FGABRO CCOC[C@]1(C[NH3+])[C@@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218542447 206372560 /nfs/dbraw/zinc/37/25/60/206372560.db2.gz XFDUMIFOQNTHGJ-PCCBWWKXSA-N 1 0 373.518 3.170 40 0 FGABRO O=C1CC2(CC[NH+](C[C@@H]3CCOC3)CC2)c2ccccc2N1CC1CC1 ZINC000096080237 132218635 /nfs/dbraw/zinc/21/86/35/132218635.db2.gz GUXAIPFJKJSBPM-SFHVURJKSA-N 1 0 354.494 3.203 40 0 FGABRO CC[NH+](CC)CCOC(=O)[C@](O)(c1ccccc1)c1c(C)cccc1C ZINC000001710852 493798121 /nfs/dbraw/zinc/79/81/21/493798121.db2.gz MDXUMQALCQXJNR-QFIPXVFZSA-N 1 0 355.478 3.424 40 0 FGABRO CC(C)(C)OC(=O)N[C@@H]1CCN([C@@H](C[NH3+])c2ccc(C(F)(F)F)cc2)C1 ZINC000035622939 494081369 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Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]CCN(C)c3ccccc3)[C@H]2O)c1 ZINC000585288442 507586094 /nfs/dbraw/zinc/58/60/94/507586094.db2.gz APSPZIIXJYCASE-BHDDXSALSA-N 1 0 354.494 3.382 40 0 FGABRO Cc1ccc2cc(C[NH2+]C[C@@H](O)COc3cccc(C)c3C)c(=O)[nH]c2c1 ZINC000585286194 507586851 /nfs/dbraw/zinc/58/68/51/507586851.db2.gz XAONUVNLPHIIDF-LJQANCHMSA-N 1 0 366.461 3.395 40 0 FGABRO OC[C@@H]1[C@H](O)[C@@H](c2ccc(Cl)cc2)C[N@@H+]1Cc1ccc(F)cc1Cl ZINC000585292925 507587009 /nfs/dbraw/zinc/58/70/09/507587009.db2.gz PXCOISQIXUDIKJ-KBAYOESNSA-N 1 0 370.251 3.454 40 0 FGABRO O[C@H]1CC[N@@H+](C2CCCCCC2)C[C@]1(O)COc1ccc(Cl)c(F)c1 ZINC000585286762 507587074 /nfs/dbraw/zinc/58/70/74/507587074.db2.gz IMIZDTCVCWUQCK-OALUTQOASA-N 1 0 371.880 3.378 40 0 FGABRO O=c1oc(CC[NH+]2CCN(c3ccccc3)CC2)c(-c2ccc(F)cc2)o1 ZINC000000537737 527498186 /nfs/dbraw/zinc/49/81/86/527498186.db2.gz NFYAWNPZCNDDOG-UHFFFAOYSA-N 1 0 368.408 3.404 40 0 in-man FGABRO COc1ccc(C2(C[NH2+][C@H]3CCC[C@@H](S(C)(=O)=O)C3)CCC2)cc1 ZINC000646158751 571106179 /nfs/dbraw/zinc/10/61/79/571106179.db2.gz RXZWYLOTMJJHQR-FUHWJXTLSA-N 1 0 351.512 3.062 40 0 FGABRO Cc1n[nH]cc1C[NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC000103345940 571151342 /nfs/dbraw/zinc/15/13/42/571151342.db2.gz HDGTZOPTTLHZRO-GOSISDBHSA-N 1 0 362.905 3.313 40 0 FGABRO Brc1ccc(-c2ccc3nnc(C4CC[NH2+]CC4)n3n2)cc1 ZINC000217559922 209658499 /nfs/dbraw/zinc/65/84/99/209658499.db2.gz CGGSWRACWHXWIR-UHFFFAOYSA-N 1 0 358.243 3.021 40 0 FGABRO O=C1N(C[C@@H]2CCCO2)c2ccccc2C12CC[NH+](Cc1ccco1)CC2 ZINC000109754235 209311580 /nfs/dbraw/zinc/31/15/80/209311580.db2.gz MGOZBLFOQYYEPH-SFHVURJKSA-N 1 0 366.461 3.339 40 0 FGABRO Cc1ccccc1C[N@@H+]1CC[C@H]2C[C@H](C(=O)Nc3cccnc3)O[C@@H]2C1 ZINC000107717913 209279533 /nfs/dbraw/zinc/27/95/33/209279533.db2.gz WYJXDRQOHOWFQC-PWIZWCRZSA-N 1 0 351.450 3.008 40 0 FGABRO CC(C)CC[N@@H+]1CCc2cc(C(=O)N(C)C)c(NCC(C)C)nc2CC1 ZINC000096260519 209145540 /nfs/dbraw/zinc/14/55/40/209145540.db2.gz FXUQOIJCWFPDDX-UHFFFAOYSA-N 1 0 360.546 3.298 40 0 FGABRO CN(C)C(=O)N1CCOC2(CC[NH+](Cc3ccco3)CC2)c2ccccc21 ZINC000096243977 209142843 /nfs/dbraw/zinc/14/28/43/209142843.db2.gz DLGNLQQUAXMSNI-UHFFFAOYSA-N 1 0 369.465 3.289 40 0 FGABRO CCC(CC)C[N@@H+]1CC[C@]2(CC(C(=O)NCc3ccc(F)cc3)=NO2)C1 ZINC000096226100 209139418 /nfs/dbraw/zinc/13/94/18/209139418.db2.gz UVUIJHWYDZTCGQ-FQEVSTJZSA-N 1 0 361.461 3.099 40 0 FGABRO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4ccccn4)C3)C2)c1 ZINC000096215632 209136008 /nfs/dbraw/zinc/13/60/08/209136008.db2.gz IMCFYVIVQKZEHD-QFIPXVFZSA-N 1 0 365.477 3.219 40 0 FGABRO Cn1cccc1C(=O)N1C[C@H]2[C@@H](C1)CCC[C@@H]2[N@H+](C)Cc1cccs1 ZINC000096183116 209131312 /nfs/dbraw/zinc/13/13/12/209131312.db2.gz UXHDDXAEKQYLKU-NJAFHUGGSA-N 1 0 357.523 3.459 40 0 FGABRO O=C1N(Cc2cccc(F)c2)CCC12CC[NH+](Cc1ccccn1)CC2 ZINC000096157993 209126532 /nfs/dbraw/zinc/12/65/32/209126532.db2.gz JDYUIGGDKPITQQ-UHFFFAOYSA-N 1 0 353.441 3.235 40 0 FGABRO O=c1ccc2c(n1Cc1cccnc1)CC[N@H+](Cc1ccc(F)cc1)CC2 ZINC000096086862 209110272 /nfs/dbraw/zinc/11/02/72/209110272.db2.gz QFBSLTWUGZMWOL-UHFFFAOYSA-N 1 0 363.436 3.032 40 0 FGABRO COc1cc(C[N@@H+]2C[C@@H]3CC[C@](O)(c4ccc(F)cc4)[C@@H]3C2)ccc1O ZINC000036739984 207291264 /nfs/dbraw/zinc/29/12/64/207291264.db2.gz VIWZXVCCPCEWEL-KLHJMIIUSA-N 1 0 357.425 3.270 40 0 FGABRO COc1cccc(C[NH+]2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)c1 ZINC000012187330 207346624 /nfs/dbraw/zinc/34/66/24/207346624.db2.gz QUFNKVBIQPKKOA-UHFFFAOYSA-N 1 0 365.437 3.223 40 0 FGABRO O=C(N[C@H](c1nccs1)[C@H]1CCC[N@H+](Cc2ccncc2)C1)C1CC1 ZINC000012088841 207336287 /nfs/dbraw/zinc/33/62/87/207336287.db2.gz GMMVPSDXOXWZHS-IRXDYDNUSA-N 1 0 356.495 3.018 40 0 FGABRO CC[C@H](C[NH+]1CCC(C)CC1)NC(=O)Cc1cc(C(C)=O)ccc1OC ZINC000012239886 207351404 /nfs/dbraw/zinc/35/14/04/207351404.db2.gz AMTWTTGYTSHQHP-LJQANCHMSA-N 1 0 360.498 3.067 40 0 FGABRO COc1cccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2ccccc2O3)c1 ZINC000012329997 207362369 /nfs/dbraw/zinc/36/23/69/207362369.db2.gz QRNVFCBDGINPCI-VQTJNVASSA-N 1 0 369.461 3.079 40 0 FGABRO CCOc1cc2c(cc1C[NH+]1CCC(O)(c3cccnc3)CC1)O[C@H](C)C2 ZINC000012363674 207365200 /nfs/dbraw/zinc/36/52/00/207365200.db2.gz HETKISADYXHSIF-MRXNPFEDSA-N 1 0 368.477 3.287 40 0 FGABRO Cc1ccc(C2(C(=O)N3Cc4ccccc4OC[C@@H]3C[NH+](C)C)CC2)cc1 ZINC000012366137 207366401 /nfs/dbraw/zinc/36/64/01/207366401.db2.gz RSTMQBUPJUNJLI-FQEVSTJZSA-N 1 0 364.489 3.378 40 0 FGABRO COc1ccc(C)cc1C[NH+]1CCC2(CC1)OCCc1cnc(C)nc12 ZINC000019133380 207644665 /nfs/dbraw/zinc/64/46/65/207644665.db2.gz RRHHHUVBYAVYJC-UHFFFAOYSA-N 1 0 353.466 3.166 40 0 FGABRO COC(=O)c1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000030946488 208007548 /nfs/dbraw/zinc/00/75/48/208007548.db2.gz OBBYTMZDPCAYJL-KRWDZBQOSA-N 1 0 370.424 3.463 40 0 FGABRO CCCc1ncc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2Cc2ccccc2)cn1 ZINC000043568704 208306966 /nfs/dbraw/zinc/30/69/66/208306966.db2.gz YTBDVJJKAAWLHF-LEWJYISDSA-N 1 0 350.510 3.320 40 0 FGABRO O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000044932682 208323427 /nfs/dbraw/zinc/32/34/27/208323427.db2.gz MOWHGWDEMAHVGM-UHFFFAOYSA-N 1 0 360.461 3.398 40 0 FGABRO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2ccc(F)cc2)cs1 ZINC000096056581 209105296 /nfs/dbraw/zinc/10/52/96/209105296.db2.gz HJJCBOYAKDDQFV-QZTJIDSGSA-N 1 0 359.470 3.356 40 0 FGABRO CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccncc3)CC2)Oc2ccccc21 ZINC000096053265 209103337 /nfs/dbraw/zinc/10/33/37/209103337.db2.gz PTBSOHYDHIKRGO-GOSISDBHSA-N 1 0 365.477 3.119 40 0 FGABRO Cc1ccc(C[NH+]2CCC3(CC2)CN(Cc2ccccn2)CCO3)s1 ZINC000096048959 209102101 /nfs/dbraw/zinc/10/21/01/209102101.db2.gz VWONISCDTRXAMM-UHFFFAOYSA-N 1 0 357.523 3.319 40 0 FGABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](CC(=O)NC(C)C)CO3)CC2)s1 ZINC000096048165 209100578 /nfs/dbraw/zinc/10/05/78/209100578.db2.gz KKOYQXPZGHKOGG-MRXNPFEDSA-N 1 0 350.528 3.342 40 0 FGABRO COc1ccc(SCC(=O)NCCC[NH+]2CCC(C)CC2)cc1OC ZINC000044841823 220960690 /nfs/dbraw/zinc/96/06/90/220960690.db2.gz RYXOXSIGTKBCFI-UHFFFAOYSA-N 1 0 366.527 3.034 40 0 FGABRO CC(C)c1cc(N2Cc3ccccc3C(C)(C)C2)nc(N[C@@H](C)CO)[nH+]1 ZINC000329025247 132372914 /nfs/dbraw/zinc/37/29/14/132372914.db2.gz PEYKSIGQYNBKQF-HNNXBMFYSA-N 1 0 354.498 3.112 40 0 FGABRO CC(C)c1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(NC2CC2)[nH+]1 ZINC000329067741 132373317 /nfs/dbraw/zinc/37/33/17/132373317.db2.gz YKOQOTSRFDVEIG-UHFFFAOYSA-N 1 0 366.509 3.386 40 0 FGABRO COc1ccccc1C(=O)NC(=S)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000006248135 263344402 /nfs/dbraw/zinc/34/44/02/263344402.db2.gz ABPAOTOHHFZYTJ-UHFFFAOYSA-N 1 0 369.490 3.418 40 0 FGABRO CCCC[NH2+][C@@H](c1ccc2c(c1)OCO2)[C@H](O)c1ccc2c(c1)OCO2 ZINC000001667304 493798247 /nfs/dbraw/zinc/79/82/47/493798247.db2.gz HVRXOTZKIFBAIX-VQTJNVASSA-N 1 0 357.406 3.308 40 0 FGABRO COc1ccccc1N1CCN(C2CC[NH+]([C@H]3C[C@@H]4CC[C@H]3C4)CC2)CC1 ZINC000005811118 493943639 /nfs/dbraw/zinc/94/36/39/493943639.db2.gz HGIWURKGWWERTO-DXIQSLLYSA-N 1 0 369.553 3.470 40 0 FGABRO Cc1cccc(Cc2cccc([C@@H]3CCC[N@@H+](CC(=O)N(C)C)C3)n2)c1 ZINC000072349519 494155994 /nfs/dbraw/zinc/15/59/94/494155994.db2.gz DKCKQUYQGJFPHY-LJQANCHMSA-N 1 0 351.494 3.248 40 0 FGABRO O=C(c1ccccc1)[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@]1(O)c1ccccc1 ZINC000054073038 494192568 /nfs/dbraw/zinc/19/25/68/494192568.db2.gz OXNBIVVBRPSTQX-FUDKSRODSA-N 1 0 365.473 3.258 40 0 FGABRO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000019081798 494435787 /nfs/dbraw/zinc/43/57/87/494435787.db2.gz ACSOWUPGCPNIGC-SCTDSRPQSA-N 1 0 359.514 3.034 40 0 FGABRO Cc1ccc(O[C@@H](C)C(=O)N(C[C@@H]2CCCO2)C2CC[NH+](C)CC2)cc1C ZINC000019214099 494437920 /nfs/dbraw/zinc/43/79/20/494437920.db2.gz BEHWTJNHLGZWKZ-RXVVDRJESA-N 1 0 374.525 3.173 40 0 FGABRO Cn1nc(C(F)(F)F)cc1C(=O)N1CCCC[C@H]1C[NH+]1CCCCCC1 ZINC000019288788 494440064 /nfs/dbraw/zinc/44/00/64/494440064.db2.gz UGYSNNHWJODKBQ-AWEZNQCLSA-N 1 0 372.435 3.310 40 0 FGABRO O=C(COc1ccc(F)cc1)N1CCC[C@@H](c2cc3c[nH+]ccc3[nH]2)C1 ZINC000019335711 494441625 /nfs/dbraw/zinc/44/16/25/494441625.db2.gz UWZKAFLFVDFFGK-CQSZACIVSA-N 1 0 353.397 3.487 40 0 FGABRO Nc1cc2ccccc2nc1[C@@H]1CCCN(C(=O)CC[NH+]2CCCC2)C1 ZINC000019376206 494443670 /nfs/dbraw/zinc/44/36/70/494443670.db2.gz OPGDSSMCPSBIJV-QGZVFWFLSA-N 1 0 352.482 3.009 40 0 FGABRO O=C1NC2(CC[NH+](Cc3ccc4ncccc4c3)CC2)Nc2ccccc21 ZINC000019374671 494443780 /nfs/dbraw/zinc/44/37/80/494443780.db2.gz DXNBSTRIJMTLER-UHFFFAOYSA-N 1 0 358.445 3.382 40 0 FGABRO CC(C)n1nnnc1[C@H](c1ccc(F)cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000019454638 494445103 /nfs/dbraw/zinc/44/51/03/494445103.db2.gz KIVYCCZHJVYDQL-IBGZPJMESA-N 1 0 372.492 3.043 40 0 FGABRO CNc1cc([C@H]2CCC[N@H+](Cc3ccccn3)C2)nc(-c2ccncc2)n1 ZINC000019592283 494451429 /nfs/dbraw/zinc/45/14/29/494451429.db2.gz RNVXMSXQWDTYDZ-KRWDZBQOSA-N 1 0 360.465 3.355 40 0 FGABRO COc1ccc([C@H]2C[N@H+](C)[C@@H]3CCCN(C(=O)Cc4ccccc4)[C@@H]32)cc1 ZINC000019590787 494451865 /nfs/dbraw/zinc/45/18/65/494451865.db2.gz AMHBKYXWMCRWKR-MQSCRBSSSA-N 1 0 364.489 3.327 40 0 FGABRO Cc1ccc2c(cc(C(=O)NC3CC[NH+](Cc4ccccn4)CC3)n2C)c1 ZINC000019661311 494454316 /nfs/dbraw/zinc/45/43/16/494454316.db2.gz ADGNSTZPLMRUMP-UHFFFAOYSA-N 1 0 362.477 3.276 40 0 FGABRO CNC(=O)[C@]1(Cc2cc(C(C)C)no2)CC[N@H+](CCCc2ccccc2)C1 ZINC000019695845 494454558 /nfs/dbraw/zinc/45/45/58/494454558.db2.gz STQVKAKJNYQWFY-QFIPXVFZSA-N 1 0 369.509 3.411 40 0 FGABRO O=C(c1cc(-n2cccn2)ccc1Cl)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000019715121 494457163 /nfs/dbraw/zinc/45/71/63/494457163.db2.gz KUGRMKMCPZYGAH-INIZCTEOSA-N 1 0 358.873 3.226 40 0 FGABRO C[C@@H]1CCCN(c2ncc(-c3cncn3CC[N@H+](C)C3CCCC3)cn2)C1 ZINC000019720000 494458316 /nfs/dbraw/zinc/45/83/16/494458316.db2.gz PQJHQMNFYKOLDI-QGZVFWFLSA-N 1 0 368.529 3.451 40 0 FGABRO CC[C@@H](C[NH+]1CCOCC1)n1cncc1-c1cnn(-c2ccc(C)cc2)c1 ZINC000019719539 494459151 /nfs/dbraw/zinc/45/91/51/494459151.db2.gz GMLGUEGFMKWAEA-IBGZPJMESA-N 1 0 365.481 3.328 40 0 FGABRO Cc1cc(F)ccc1S(=O)(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000026843304 494841274 /nfs/dbraw/zinc/84/12/74/494841274.db2.gz JVOVDODOEGYXAL-UHFFFAOYSA-N 1 0 362.470 3.208 40 0 FGABRO CC[N@@H+]1CC[C@H](CCc2ccc(NC(=O)[C@@H]3CC(=O)N(C)C3)cc2)[C@@H](C)C1 ZINC000248095839 496954035 /nfs/dbraw/zinc/95/40/35/496954035.db2.gz CXLXDKSFGIPBPR-YTQUADARSA-N 1 0 371.525 3.014 40 0 FGABRO Cc1cc(C(=O)N2CC3(C2)CC[C@@H](C[N@@H+](C)Cc2ccco2)CO3)c(C)o1 ZINC000248085951 496954059 /nfs/dbraw/zinc/95/40/59/496954059.db2.gz DNHWSJSMPKFMTL-KRWDZBQOSA-N 1 0 372.465 3.243 40 0 FGABRO CCOC[C@]1(C[NH3+])[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218542280 497003665 /nfs/dbraw/zinc/00/36/65/497003665.db2.gz XFDUMIFOQNTHGJ-QHAWAJNXSA-N 1 0 373.518 3.170 40 0 FGABRO Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)s1 ZINC000223211042 497032743 /nfs/dbraw/zinc/03/27/43/497032743.db2.gz TVYMFRYRUKIBJW-IAGOWNOFSA-N 1 0 360.552 3.376 40 0 FGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc2c(c1)OCCO2 ZINC000225582125 497068199 /nfs/dbraw/zinc/06/81/99/497068199.db2.gz NHTUPYHHXKMJRD-MRXNPFEDSA-N 1 0 363.527 3.399 40 0 FGABRO C[C@H]1CCC[N@H+](CCCNC(=S)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000225737848 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362.539 3.331 40 0 biogenic,in-vitro FGABRO Cc1noc(C)c1CN1C[C@@]2(CCC[N@@H+]([C@H](C)c3ccccc3)C2)C1=O ZINC000585099406 507566049 /nfs/dbraw/zinc/56/60/49/507566049.db2.gz ILEJYFKDIYPCKY-IERDGZPVSA-N 1 0 353.466 3.477 40 0 FGABRO Cc1ccc(C2(C(=O)N3CCC[C@@]4(CC[N@@H+]4C[C@H]4CCCO4)C3)CC2)cc1 ZINC000585102049 507567358 /nfs/dbraw/zinc/56/73/58/507567358.db2.gz OPSRTHRDMXKSCO-IFMALSPDSA-N 1 0 368.521 3.273 40 0 FGABRO C[C@@H]1CCC[N@H+](C[C@H]2CC3(CO2)CCN(C(=O)c2ccc(O)cc2)CC3)C1 ZINC000585103074 507567385 /nfs/dbraw/zinc/56/73/85/507567385.db2.gz CDAIHZRRAVLUQB-YLJYHZDGSA-N 1 0 372.509 3.135 40 0 FGABRO Cc1ccccc1C[N@@H+]1CCOC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC000585104085 507570477 /nfs/dbraw/zinc/57/04/77/507570477.db2.gz IWLDMHNSYXEZDR-QFIPXVFZSA-N 1 0 368.452 3.390 40 0 FGABRO C[C@H](c1ccccc1)N1C[C@]2(CC1=O)COCC[N@H+](Cc1ccccc1)C2 ZINC000585105028 507570761 /nfs/dbraw/zinc/57/07/61/507570761.db2.gz YWLPSBFEKCPUKP-AUSIDOKSSA-N 1 0 364.489 3.499 40 0 FGABRO 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ZINC000004980266 209434191 /nfs/dbraw/zinc/43/41/91/209434191.db2.gz SKSVYFLNGVJEEB-UHFFFAOYSA-N 1 0 353.445 3.388 40 0 FGABRO CCCc1n(CC)c2ccccc2[n+]1C[C@H](O)COc1ccc(F)cc1 ZINC000000781940 209375293 /nfs/dbraw/zinc/37/52/93/209375293.db2.gz JUFHTFJMXXVBHL-KRWDZBQOSA-N 1 0 357.449 3.480 40 0 FGABRO Cc1ccc(C[NH+]2CCC3(CC2)C[C@H](NC(=O)C2CC2)CCO3)cc1C ZINC000108526849 209288297 /nfs/dbraw/zinc/28/82/97/209288297.db2.gz VJTOSAANLFHPHO-HXUWFJFHSA-N 1 0 356.510 3.343 40 0 FGABRO CC1(C)CC(NC(=O)C(=O)Nc2ccc(Cl)cc2Cl)CC(C)(C)[NH2+]1 ZINC000042645904 209260602 /nfs/dbraw/zinc/26/06/02/209260602.db2.gz QJMJTKVCHTULTA-UHFFFAOYSA-N 1 0 372.296 3.357 40 0 FGABRO Cc1nc(-c2noc3ccc(C(=O)N4CCC[N@@H+](C)CC4)cc32)cs1 ZINC000096266543 209147383 /nfs/dbraw/zinc/14/73/83/209147383.db2.gz ZREYHDXYYIGFMB-UHFFFAOYSA-N 1 0 356.451 3.037 40 0 FGABRO CC(C)[NH+]1CCN(c2ccc3ccc(C(=O)N4CCCCC4)cn32)CC1 ZINC000096267414 209147042 /nfs/dbraw/zinc/14/70/42/209147042.db2.gz XMEXOJRLTSMDGB-UHFFFAOYSA-N 1 0 354.498 3.096 40 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/nfs/dbraw/zinc/34/65/42/207346542.db2.gz AHNHBHMYJWKXFE-OAHLLOKOSA-N 1 0 362.424 3.061 40 0 FGABRO COc1ccccc1C[NH+]1CCC(C(=O)Nc2nc(C(C)=O)cs2)CC1 ZINC000012198214 207347673 /nfs/dbraw/zinc/34/76/73/207347673.db2.gz JIEDZMUIGNXPGG-UHFFFAOYSA-N 1 0 373.478 3.205 40 0 FGABRO CCc1c(C)nc2cc(C3CCOCC3)nn2c1NCC(C)(C)C[NH+](C)C ZINC000012155431 207343199 /nfs/dbraw/zinc/34/31/99/207343199.db2.gz GBYXQWIBWKXHNG-UHFFFAOYSA-N 1 0 373.545 3.494 40 0 FGABRO CC(C)Oc1cccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)c1 ZINC000012220300 207349335 /nfs/dbraw/zinc/34/93/35/207349335.db2.gz BEFZVXRNKXYLSM-QIDMFYOTSA-N 1 0 369.509 3.327 40 0 FGABRO COc1cc(C)c(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4ccccn4)[C@@H]3C2)cc1C ZINC000012222959 207350472 /nfs/dbraw/zinc/35/04/72/207350472.db2.gz NHNUQJGKIQPUQL-KPLVRAHFSA-N 1 0 352.478 3.437 40 0 FGABRO Cc1ccc2c(c1)CN(C(=O)c1ccc(C)nc1)CC1(CC[NH+](C)CC1)O2 ZINC000012228276 207350556 /nfs/dbraw/zinc/35/05/56/207350556.db2.gz FIDRCDJFOCLQDL-UHFFFAOYSA-N 1 0 365.477 3.198 40 0 FGABRO O[C@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1cc(F)ccc1O2)c1ccccc1 ZINC000012329265 207362317 /nfs/dbraw/zinc/36/23/17/207362317.db2.gz XFDAIEMYKLXDJO-RTBURBONSA-N 1 0 357.425 3.210 40 0 FGABRO COc1ccc(C[NH+]2CCC(c3noc(-c4ccccn4)n3)CC2)cc1O ZINC000012329058 207362543 /nfs/dbraw/zinc/36/25/43/207362543.db2.gz UEYIGQQKMVXRMM-UHFFFAOYSA-N 1 0 366.421 3.225 40 0 FGABRO COc1cc(OC)cc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000030555783 208001836 /nfs/dbraw/zinc/00/18/36/208001836.db2.gz ZBBRTKIGTHMRLL-UHFFFAOYSA-N 1 0 354.450 3.230 40 0 FGABRO COC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000038835137 208205411 /nfs/dbraw/zinc/20/54/11/208205411.db2.gz HKJLJHQQCXZBRJ-QGZVFWFLSA-N 1 0 370.424 3.463 40 0 FGABRO Cc1ccc(CN2CC[N@@H+]3C[C@H](OCc4cccc(C)n4)C[C@H]3C2)s1 ZINC000096055088 209102669 /nfs/dbraw/zinc/10/26/69/209102669.db2.gz URJOYYSFRMYGFF-RBUKOAKNSA-N 1 0 357.523 3.235 40 0 FGABRO O=C1N(Cc2cccnc2)CC[C@]12CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096048624 209100759 /nfs/dbraw/zinc/10/07/59/209100759.db2.gz UVQJPEYUAQYYPN-NRFANRHFSA-N 1 0 353.441 3.235 40 0 FGABRO COc1ccc(C[NH+]2CCC3(CCN(Cc4ccccn4)C3=O)CC2)cc1 ZINC000096046900 209100721 /nfs/dbraw/zinc/10/07/21/209100721.db2.gz QEMBEFQRDOVROQ-UHFFFAOYSA-N 1 0 365.477 3.105 40 0 FGABRO CC(C)(C)c1nc2c(nnn2C2CC[NH+](Cc3ccccc3)CC2)c(=O)[nH]1 ZINC000072337619 208834826 /nfs/dbraw/zinc/83/48/26/208834826.db2.gz MNDYRJOZWYENEI-UHFFFAOYSA-N 1 0 366.469 3.062 40 0 FGABRO C[NH+]1CCN(c2ccc3ccc(C(=O)Nc4cc(F)cc(F)c4)cn32)CC1 ZINC000096038356 209098284 /nfs/dbraw/zinc/09/82/84/209098284.db2.gz BCKAAUOTCDRTRT-UHFFFAOYSA-N 1 0 370.403 3.222 40 0 FGABRO CC(C)c1nc(N2CCc3cc([C@@H](C)O)ccc3C2)cc(NCCCO)[nH+]1 ZINC000329003930 132372335 /nfs/dbraw/zinc/37/23/35/132372335.db2.gz KPJLVNKCQYDHQI-OAHLLOKOSA-N 1 0 370.497 3.010 40 0 FGABRO OCCCNc1cc(N2CCc3cc(Cl)ccc3C2)nc(C2CC2)[nH+]1 ZINC000329026559 132372817 /nfs/dbraw/zinc/37/28/17/132372817.db2.gz PMXDCHLQEKAZFZ-UHFFFAOYSA-N 1 0 358.873 3.364 40 0 FGABRO Cc1ccc(OCC[C@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1C ZINC000028295301 132374219 /nfs/dbraw/zinc/37/42/19/132374219.db2.gz UTAPTHMADRIHIF-NRFANRHFSA-N 1 0 372.484 3.395 40 0 FGABRO c1ccc(-c2nc3c(nc(-c4ccccc4)nc3N3CC[NH2+]CC3)o2)cc1 ZINC000053994360 136125049 /nfs/dbraw/zinc/12/50/49/136125049.db2.gz VZMOALNAVCNQIF-UHFFFAOYSA-N 1 0 357.417 3.361 40 0 FGABRO C[C@H](C[N@@H+]1CCc2c(nc(N3CCC(C)CC3)[nH]c2=O)C1)c1ccccc1 ZINC000072335633 136144659 /nfs/dbraw/zinc/14/46/59/136144659.db2.gz CTWLBDKYSILCDR-QGZVFWFLSA-N 1 0 366.509 3.168 40 0 FGABRO Cc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3c[nH]c4ccccc34)C2=O)cc1C ZINC000008215700 263353086 /nfs/dbraw/zinc/35/30/86/263353086.db2.gz SYAUBRIALUEHBB-HXUWFJFHSA-N 1 0 361.445 3.249 40 0 FGABRO Cc1c(NC[C@H]2CCC[N@@H+]3CCCC[C@H]23)c(=O)n(-c2ccccc2)n1C ZINC000005921264 493945045 /nfs/dbraw/zinc/94/50/45/493945045.db2.gz ZFDYZXJCXKXKIW-IEBWSBKVSA-N 1 0 354.498 3.161 40 0 FGABRO COc1ccc(-c2cccc([C@H]3CCC[N@H+](CC(=O)N(C)C)C3)n2)cc1 ZINC000072349511 494155649 /nfs/dbraw/zinc/15/56/49/494155649.db2.gz ATTLXBFZMQSXEE-KRWDZBQOSA-N 1 0 353.466 3.025 40 0 FGABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nccnc3-n3ccnc3C)C2)cc1 ZINC000072350514 494155713 /nfs/dbraw/zinc/15/57/13/494155713.db2.gz LBRLJUXAEJVIQX-GOSISDBHSA-N 1 0 363.465 3.359 40 0 FGABRO CN(C)C(=O)C[NH+]1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1 ZINC000072349524 494156091 /nfs/dbraw/zinc/15/60/91/494156091.db2.gz BTPFRMJXFYCFHU-UHFFFAOYSA-N 1 0 355.457 3.079 40 0 FGABRO CCOc1ccc([C@@H](O)C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)cc1 ZINC000012292356 494219124 /nfs/dbraw/zinc/21/91/24/494219124.db2.gz QGDBVPNSAZMHIL-FQEVSTJZSA-N 1 0 359.441 3.241 40 0 FGABRO Cc1nc(NC(=[NH2+])Nc2ccc(F)cc2)[nH]c(=O)c1Cc1ccccc1 ZINC000017072868 494406978 /nfs/dbraw/zinc/40/69/78/494406978.db2.gz CGSVKIAYYPKSBW-UHFFFAOYSA-N 1 0 351.385 3.267 40 0 FGABRO COc1ccccc1C[NH+]1CCC(c2cc(N)n3nc(C)cc3n2)CC1 ZINC000019129427 494435636 /nfs/dbraw/zinc/43/56/36/494435636.db2.gz HYRSZTNORSLSDF-UHFFFAOYSA-N 1 0 351.454 3.008 40 0 FGABRO CC(C)Oc1cccc(CN2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)c1 ZINC000019450895 494445061 /nfs/dbraw/zinc/44/50/61/494445061.db2.gz XOTHNHHRAOICBU-FQEVSTJZSA-N 1 0 352.482 3.247 40 0 FGABRO CCOc1ccc(C[N@@H+]2CCC[C@H](c3nc(CC)cc(=O)[nH]3)C2)cc1OC ZINC000019522503 494447335 /nfs/dbraw/zinc/44/73/35/494447335.db2.gz IOHVLZHQNJBHTN-INIZCTEOSA-N 1 0 371.481 3.119 40 0 FGABRO COc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2Cc2ccccc2)cc1CO ZINC000019559359 494448783 /nfs/dbraw/zinc/44/87/83/494448783.db2.gz CZPYGJMIDPXCNN-VXKWHMMOSA-N 1 0 366.505 3.079 40 0 FGABRO Cc1cc2[nH]c(CCC(=O)N[C@@H](C)C[NH+]3CCCCCC3)nc2c(C)c1 ZINC000019568391 494449834 /nfs/dbraw/zinc/44/98/34/494449834.db2.gz UMVKPOGWIJPNHA-KRWDZBQOSA-N 1 0 356.514 3.493 40 0 FGABRO COc1ccc2c(c1)C(=O)NC[C@H]([C@@H]1CCC[N@H+](Cc3ccccc3)C1)O2 ZINC000019562120 494449978 /nfs/dbraw/zinc/44/99/78/494449978.db2.gz WBKXQMHJBQCHOG-DYESRHJHSA-N 1 0 366.461 3.098 40 0 FGABRO CN(C)C(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CC[N@H+](CC2CC2)C1 ZINC000019580277 494451134 /nfs/dbraw/zinc/45/11/34/494451134.db2.gz LKIQXUJQEAUDBT-HSZRJFAPSA-N 1 0 363.505 3.481 40 0 FGABRO Cn1ccnc1C(=O)N1[C@H](c2ccccc2)C[C@]2(C)[NH2+]CCCCC[C@H]12 ZINC000019713553 494456146 /nfs/dbraw/zinc/45/61/46/494456146.db2.gz LJZKMBDIFDHHDZ-WFXMLNOXSA-N 1 0 352.482 3.298 40 0 FGABRO O=S(=O)(Cc1ccc(F)cc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000026843322 494840885 /nfs/dbraw/zinc/84/08/85/494840885.db2.gz FTJSYMJZFKYNSS-UHFFFAOYSA-N 1 0 362.470 3.041 40 0 FGABRO Fc1ccc(-c2cnc3n2C[C@H](C[NH2+]CCc2ccccc2)OC3)cc1 ZINC000096269336 495009666 /nfs/dbraw/zinc/00/96/66/495009666.db2.gz DMHGVSMKRVOOTF-IBGZPJMESA-N 1 0 351.425 3.420 40 0 biogenic,in-vitro FGABRO COc1ccccc1-c1cn2c(n1)CO[C@@H](C[NH2+]Cc1ccccc1F)C2 ZINC000096269418 495009697 /nfs/dbraw/zinc/00/96/97/495009697.db2.gz AMQIRKAZIUNONS-INIZCTEOSA-N 1 0 367.424 3.386 40 0 biogenic,in-vitro FGABRO c1ccc(OCC[C@H]2CCOC23CC[NH+](Cc2cccnc2)CC3)nc1 ZINC000253602301 497345951 /nfs/dbraw/zinc/34/59/51/497345951.db2.gz MZKQQZIVYCMPRP-IBGZPJMESA-N 1 0 353.466 3.317 40 0 FGABRO Cc1cnc(C2(C)CC[NH+](Cc3ccnc(N4CCCC4)n3)CC2)s1 ZINC000257200342 497389537 /nfs/dbraw/zinc/38/95/37/497389537.db2.gz ACXPZUPRXGWHKK-UHFFFAOYSA-N 1 0 357.527 3.395 40 0 FGABRO C[C@@]12C[C@H]3[C@@H](Cc4ccccc4)[NH2+][C@@H]1CCC[C@@H]2N3C(=O)c1cncs1 ZINC000257210420 497390039 /nfs/dbraw/zinc/39/00/39/497390039.db2.gz BUNAHSONDFQJFM-KVNUXVDHSA-N 1 0 367.518 3.500 40 0 FGABRO C[N@@H+]1CCN(Cc2ncccc2F)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257207378 497390525 /nfs/dbraw/zinc/39/05/25/497390525.db2.gz BHMMEENFROWJTH-KRWDZBQOSA-N 1 0 364.468 3.375 40 0 FGABRO O=C(C[NH+]1CCCC1)N1CCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257206261 497391005 /nfs/dbraw/zinc/39/10/05/497391005.db2.gz BCQABUSAPLLSSI-SFHVURJKSA-N 1 0 357.429 3.164 40 0 FGABRO Cc1cccc(Nc2cc(C[C@@H]3CCC[N@H+](Cc4cnc[nH]4)C3)ncn2)n1 ZINC000257223868 497391444 /nfs/dbraw/zinc/39/14/44/497391444.db2.gz DZHHZEGQNGPGSQ-INIZCTEOSA-N 1 0 363.469 3.101 40 0 FGABRO Cc1cc(-c2nccn2C)nc([C@H]2CCC[N@H+](Cc3cncs3)C2)n1 ZINC000257215561 497391552 /nfs/dbraw/zinc/39/15/52/497391552.db2.gz CQRJLXBLRVYEPT-AWEZNQCLSA-N 1 0 354.483 3.022 40 0 FGABRO Cc1cccc(Nc2cc(C[C@H]3CCC[N@H+](Cc4cnc[nH]4)C3)ncn2)n1 ZINC000257223869 497391798 /nfs/dbraw/zinc/39/17/98/497391798.db2.gz DZHHZEGQNGPGSQ-MRXNPFEDSA-N 1 0 363.469 3.101 40 0 FGABRO C[C@]12C[C@@H](Cc3ccccc3)N(C(=O)c3cnccn3)[C@H]1CCCCC[NH2+]2 ZINC000257214134 497392508 /nfs/dbraw/zinc/39/25/08/497392508.db2.gz CKRQFLJDSXPAPL-CBQOVEMMSA-N 1 0 364.493 3.225 40 0 FGABRO Cc1ncsc1C[N@H+]1CCC[C@@H](c2cncc(-c3cncn3C)n2)C1 ZINC000257248923 497394448 /nfs/dbraw/zinc/39/44/48/497394448.db2.gz JFUXBBRCVVBIKB-CQSZACIVSA-N 1 0 354.483 3.022 40 0 FGABRO O=C(C[NH+]1CCCCC1)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1 ZINC000257241233 497394976 /nfs/dbraw/zinc/39/49/76/497394976.db2.gz HXFSFZADPNWLOQ-LJQANCHMSA-N 1 0 367.493 3.457 40 0 FGABRO Cc1c[nH]c(-c2cncc(C[C@H]3CCC[N@H+](Cc4scnc4C)C3)n2)n1 ZINC000257241395 497395184 /nfs/dbraw/zinc/39/51/84/497395184.db2.gz HXXCKTMIJOXMJI-OAHLLOKOSA-N 1 0 368.510 3.395 40 0 FGABRO Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)c3cc(CC(C)C)no3)C2)[nH+]1 ZINC000257278262 497398541 /nfs/dbraw/zinc/39/85/41/497398541.db2.gz OBNLUIXMIPEFRW-HNNXBMFYSA-N 1 0 356.470 3.272 40 0 FGABRO CC1(C)O[C@@](C)([C@H]2CC3(CO2)CC[NH+](Cc2ccccn2)CC3)CC[C@@H]1O ZINC000257316571 497401785 /nfs/dbraw/zinc/40/17/85/497401785.db2.gz VGDPGKDGQACIFO-QKNQBKEWSA-N 1 0 374.525 3.161 40 0 FGABRO CN(C(=O)c1cc(C(C)(C)C)ccc1O)[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257308032 497402799 /nfs/dbraw/zinc/40/27/99/497402799.db2.gz TVDNTPWJGAFWSI-QWFCFKBJSA-N 1 0 374.525 3.140 40 0 FGABRO CCOc1ccccc1C[N@@H+]1CCC[C@H]1c1cccc(CNC(C)=O)n1 ZINC000257322658 497403810 /nfs/dbraw/zinc/40/38/10/497403810.db2.gz WGWTZNQQQFOGBP-FQEVSTJZSA-N 1 0 353.466 3.454 40 0 FGABRO Cc1ccc(CN2Cc3ccnn3[C@@H](CCOCc3cccnc3)C2)o1 ZINC000306123286 498736114 /nfs/dbraw/zinc/73/61/14/498736114.db2.gz AJDWTSZPXHRFKY-IBGZPJMESA-N 1 0 352.438 3.343 40 0 FGABRO COc1ccc(-c2cnc3n2C[C@H]2C[N@@H+](Cc4ccccn4)C[C@@H]2C3)cc1 ZINC000306126259 498738311 /nfs/dbraw/zinc/73/83/11/498738311.db2.gz DQYZLQZDJUSFPC-ZWKOTPCHSA-N 1 0 360.461 3.258 40 0 FGABRO CC(C)(C)OC(=O)N1CCC2(C[N@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000306131588 498738631 /nfs/dbraw/zinc/73/86/31/498738631.db2.gz KJHMNIXGSDVOAX-SFHVURJKSA-N 1 0 360.498 3.128 40 0 FGABRO Fc1ccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4ccoc4)C2)OC3)cc1 ZINC000306128957 498739071 /nfs/dbraw/zinc/73/90/71/498739071.db2.gz HPFNFMALHMIIRN-HXUWFJFHSA-N 1 0 353.397 3.457 40 0 FGABRO c1coc(C[N@@H+]2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)c1 ZINC000306128899 498739133 /nfs/dbraw/zinc/73/91/33/498739133.db2.gz HNWSOQOBUNAJEE-MRXNPFEDSA-N 1 0 351.454 3.302 40 0 FGABRO c1ccc(C[N@@H+]2CCC[C@H](c3nc4ccc(N5CCCC5)cn4n3)C2)nc1 ZINC000306135308 498739934 /nfs/dbraw/zinc/73/99/34/498739934.db2.gz ONDGALBWKONZBB-KRWDZBQOSA-N 1 0 362.481 3.104 40 0 FGABRO COc1cccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4ccco4)C2)OC3)c1 ZINC000306137152 498741140 /nfs/dbraw/zinc/74/11/40/498741140.db2.gz QMUNTTMMKSXYRF-OAQYLSRUSA-N 1 0 365.433 3.327 40 0 FGABRO Cc1cccc(C[N@@H+]2CCOC[C@@]3(CC(=O)N(Cc4ccccc4)C3)C2)c1 ZINC000585103591 507571237 /nfs/dbraw/zinc/57/12/37/507571237.db2.gz DREBCVBJHYFEAV-QHCPKHFHSA-N 1 0 364.489 3.246 40 0 FGABRO Cc1ncsc1C[N@H+]1CCC[C@@H](c2cc(-c3nccn3C)nc(C)n2)C1 ZINC000585178829 507580073 /nfs/dbraw/zinc/58/00/73/507580073.db2.gz GWOKQHSJAVYODC-OAHLLOKOSA-N 1 0 368.510 3.330 40 0 FGABRO COc1ccccc1CC[NH2+][C@H]1CCC[C@@H](Oc2cccc(C)c2)[C@@H]1O ZINC000585288545 507586277 /nfs/dbraw/zinc/58/62/77/507586277.db2.gz DHAZRTBKYZFJMI-KSEOMHKRSA-N 1 0 355.478 3.497 40 0 FGABRO CC(=O)N1CCC[C@H]([NH2+]CCc2ccccn2)[C@@H]1Cc1cccc(Cl)c1 ZINC000585286287 507586877 /nfs/dbraw/zinc/58/68/77/507586877.db2.gz PNILIGBFEZUKHW-SFTDATJTSA-N 1 0 371.912 3.489 40 0 FGABRO COc1cccc(CC[NH2+][C@H]2CCN(C(C)=O)C[C@H]2Cc2ccccc2)c1 ZINC000585286505 507586919 /nfs/dbraw/zinc/58/69/19/507586919.db2.gz SOTWXRGEXYBDFH-GGAORHGYSA-N 1 0 366.505 3.307 40 0 FGABRO CCCc1ncc(C[N@@H+]2CCCC[C@@H]2CCNC(=O)C2CCCC2)cn1 ZINC000019746202 521555415 /nfs/dbraw/zinc/55/54/15/521555415.db2.gz CHXZJMQGBJRYIN-LJQANCHMSA-N 1 0 358.530 3.480 40 0 FGABRO CC[C@@H](OC[C@@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000023224649 535817752 /nfs/dbraw/zinc/81/77/52/535817752.db2.gz QTJLKSUHKYWLJD-FCHUYYIVSA-N 1 0 372.484 3.477 40 0 FGABRO C[NH+]1CCN(c2ccc(NC(=O)CSCc3ccccc3F)cc2)CC1 ZINC000222714249 536423686 /nfs/dbraw/zinc/42/36/86/536423686.db2.gz QTSABWVDYJTHMT-UHFFFAOYSA-N 1 0 373.497 3.449 40 0 FGABRO Cc1cccnc1C[NH+]1CCC2(CCC(=O)N(CC3CCOCC3)C2)CC1 ZINC000108533368 209290131 /nfs/dbraw/zinc/29/01/31/209290131.db2.gz CBZDBIBAXLZICJ-UHFFFAOYSA-N 1 0 371.525 3.021 40 0 FGABRO Cc1cccc(C)c1C[NH+]1CCC2(CC1)C[C@H](NC(=O)C1CC1)CCO2 ZINC000108535600 209289547 /nfs/dbraw/zinc/28/95/47/209289547.db2.gz RKZVJVYYUDIOMU-LJQANCHMSA-N 1 0 356.510 3.343 40 0 FGABRO Cc1occc1C(=O)N1CCC2(C[C@@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC000104962968 209262522 /nfs/dbraw/zinc/26/25/22/209262522.db2.gz CXMMVIJEVAYHJQ-MRXNPFEDSA-N 1 0 358.438 3.077 40 0 FGABRO CCOC[C@H]1CN(Cc2ccoc2)Cc2cnn(CC3CCOCC3)c21 ZINC000103948423 209256422 /nfs/dbraw/zinc/25/64/22/209256422.db2.gz OKYLUMAYNHJQJR-LJQANCHMSA-N 1 0 359.470 3.039 40 0 FGABRO Fc1cccc(-c2nc3c(c(NC4CC4)n2)C[N@H+](C[C@@H]2CCOC2)CC3)c1 ZINC000096254239 209146481 /nfs/dbraw/zinc/14/64/81/209146481.db2.gz SZGJDXZONNXHSZ-AWEZNQCLSA-N 1 0 368.456 3.252 40 0 FGABRO Cc1ccc(C[NH+]2CCC3(CCOC[C@@H]3COc3cnccn3)CC2)o1 ZINC000096218391 209137801 /nfs/dbraw/zinc/13/78/01/209137801.db2.gz PGWZKABMSPYWLF-QGZVFWFLSA-N 1 0 357.454 3.076 40 0 FGABRO COc1cccc(C[N@@H+]2CC[C@]3(C2)C[C@@H](Nc2ccccn2)CCO3)c1 ZINC000096208385 209135203 /nfs/dbraw/zinc/13/52/03/209135203.db2.gz NSHKPJBYIJJWQA-GHTZIAJQSA-N 1 0 353.466 3.326 40 0 FGABRO c1ccc(CC[N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3Cc3nnc(C4CC4)o3)C2)cc1 ZINC000096208227 209135235 /nfs/dbraw/zinc/13/52/35/209135235.db2.gz LYCOYJNWBODSRW-QRVBRYPASA-N 1 0 353.466 3.069 40 0 FGABRO Cc1ccsc1C[N@@H+]1CC[C@H]2OCC[C@@]2(CCNc2ncccn2)C1 ZINC000096206670 209134502 /nfs/dbraw/zinc/13/45/02/209134502.db2.gz XNYOPQCFJJNVEH-MJGOQNOKSA-N 1 0 358.511 3.330 40 0 FGABRO O=C(c1cccc(F)c1)N1CCC2(C1)CC[NH+](Cc1ccccn1)CC2 ZINC000096157562 209126352 /nfs/dbraw/zinc/12/63/52/209126352.db2.gz DJUBBYMZSFJRQV-UHFFFAOYSA-N 1 0 353.441 3.349 40 0 FGABRO Cc1cccc(C[NH+]2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)n1 ZINC000096107037 209113480 /nfs/dbraw/zinc/11/34/80/209113480.db2.gz HKRGPKSRVRTHLC-QGZVFWFLSA-N 1 0 357.429 3.127 40 0 FGABRO C[C@@H]1Cc2cc(C[NH+]3CCC(c4nn(C)c5nccnc45)CC3)ccc2O1 ZINC000019498181 220263310 /nfs/dbraw/zinc/26/33/10/220263310.db2.gz CIACCCUCEKXEQM-CQSZACIVSA-N 1 0 363.465 3.066 40 0 FGABRO COc1cc2c(cc1OC)[C@H](c1cc3ccc(C)cc3[nH]c1=O)[NH2+]CC2 ZINC000035314850 207130575 /nfs/dbraw/zinc/13/05/75/207130575.db2.gz JWDVFTOHWXLZIN-HXUWFJFHSA-N 1 0 350.418 3.089 40 0 FGABRO COc1cc2c(cc1OC)[C@H](c1cc3cc(C)c(C)cc3[nH]c1=O)[NH2+]CC2 ZINC000035316177 207132260 /nfs/dbraw/zinc/13/22/60/207132260.db2.gz ULUQXLSDBGMLMX-OAQYLSRUSA-N 1 0 364.445 3.397 40 0 FGABRO COc1ccccc1OCC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000007696793 207202334 /nfs/dbraw/zinc/20/23/34/207202334.db2.gz QUQJTQNBOVXQGS-UHFFFAOYSA-N 1 0 368.477 3.376 40 0 FGABRO COc1cccc(OC)c1C[N@H+]1C[C@H]2CCC[C@@H](C1)C2(O)c1ccccn1 ZINC000012089061 207337005 /nfs/dbraw/zinc/33/70/05/207337005.db2.gz AGXWLTSHHUILBB-AQKKSAQBSA-N 1 0 368.477 3.219 40 0 FGABRO CC(C)(C)c1ncc(C(=O)NC2CC[NH+](Cc3cccc(F)c3)CC2)cn1 ZINC000012201800 207347680 /nfs/dbraw/zinc/34/76/80/207347680.db2.gz YJLXYUDKJDTRJL-UHFFFAOYSA-N 1 0 370.472 3.308 40 0 FGABRO COc1cccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2cccnc2)c1OC ZINC000012134967 207340461 /nfs/dbraw/zinc/34/04/61/207340461.db2.gz RWOAJFWWVAOVEN-QIDMFYOTSA-N 1 0 368.477 3.219 40 0 FGABRO COc1nc2cc(C)ccc2cc1C[NH+]1CCC2(CCCNC2=O)CC1 ZINC000012132389 207341040 /nfs/dbraw/zinc/34/10/40/207341040.db2.gz OGOHMUOXKFYFES-UHFFFAOYSA-N 1 0 353.466 3.044 40 0 FGABRO C[NH+](C)CCN(Cc1cccnc1)C(=O)Cc1ccc2c(c1)CCCC2 ZINC000012222338 207349570 /nfs/dbraw/zinc/34/95/70/207349570.db2.gz FHWRLEBBYFHHEK-UHFFFAOYSA-N 1 0 351.494 3.093 40 0 FGABRO CCn1cc(CC(=O)N(CC[NH+](C)C)Cc2cccnc2)c2ccccc21 ZINC000012222319 207350217 /nfs/dbraw/zinc/35/02/17/207350217.db2.gz YWQIWGZVTSSZGI-UHFFFAOYSA-N 1 0 364.493 3.189 40 0 FGABRO COc1ccc(C2(O)CC[NH+](C[C@H](O)c3ccc4c(c3)CCC4)CC2)cc1 ZINC000012292598 207353175 /nfs/dbraw/zinc/35/31/75/207353175.db2.gz DPLXMYLCUJSQGL-QFIPXVFZSA-N 1 0 367.489 3.201 40 0 FGABRO COc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2[NH2+]Cc2cnn(C)c2)cc1OC ZINC000012337874 207362295 /nfs/dbraw/zinc/36/22/95/207362295.db2.gz VHFCJZIYGQSSIT-JYWFKMLOSA-N 1 0 355.482 3.499 40 0 FGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000030865451 208006170 /nfs/dbraw/zinc/00/61/70/208006170.db2.gz GYBYJZMGMOETSD-HXUWFJFHSA-N 1 0 371.525 3.193 40 0 FGABRO CCc1ncc(C[N@H+](CCCn2ccnc2)Cc2cccc(F)c2)cn1 ZINC000036740192 208172047 /nfs/dbraw/zinc/17/20/47/208172047.db2.gz HUTGRUZMZCKLHK-UHFFFAOYSA-N 1 0 353.445 3.467 40 0 FGABRO COc1ccc(C[N@@H+]2C[C@@H](OCc3csc(C)n3)[C@H]3OCCC[C@H]32)cc1 ZINC000096058124 209105134 /nfs/dbraw/zinc/10/51/34/209105134.db2.gz ZXUKWTSDGKHTNY-AQNXPRMDSA-N 1 0 374.506 3.409 40 0 FGABRO Cc1ccc(C[N@@H+]2CCOC[C@@]3(CCN(Cc4nccs4)C3)C2)s1 ZINC000096062427 209107137 /nfs/dbraw/zinc/10/71/37/209107137.db2.gz UIURYFJAWBQFKF-GOSISDBHSA-N 1 0 363.552 3.238 40 0 FGABRO CN(C)C(=O)[C@@H]1OC2(CC[NH+](Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000096058376 209104148 /nfs/dbraw/zinc/10/41/48/209104148.db2.gz VRZTXHPQUHQMJC-HXUWFJFHSA-N 1 0 368.452 3.477 40 0 FGABRO Cc1cccc(C(=O)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccco4)[C@@H]3C2)n1 ZINC000096054584 209101933 /nfs/dbraw/zinc/10/19/33/209101933.db2.gz WNSPPFIOWBRUPQ-HQRMLTQVSA-N 1 0 353.466 3.356 40 0 FGABRO COc1ccc(-c2ccc(C[C@]3(C(=O)N(C)C)CCC[NH2+]C3)cc2)cc1 ZINC000072391903 208845709 /nfs/dbraw/zinc/84/57/09/208845709.db2.gz ZCZAGIZCVMAKLK-JOCHJYFZSA-N 1 0 352.478 3.363 40 0 FGABRO CN1CCn2c(-c3cccc(F)c3)cnc2C12CC[NH+](CC1CC1)CC2 ZINC000096036972 209097710 /nfs/dbraw/zinc/09/77/10/209097710.db2.gz RYQAXAZPZDCAIW-UHFFFAOYSA-N 1 0 354.473 3.336 40 0 FGABRO COc1cc(N2CCC[C@]3(CC[N@H+](Cc4cc(C)c(C)o4)C3)C2)ncn1 ZINC000096216573 132222564 /nfs/dbraw/zinc/22/25/64/132222564.db2.gz BLECEKFMHKSPRP-HXUWFJFHSA-N 1 0 356.470 3.188 40 0 FGABRO FC(F)(F)c1cc(N2CC[NH2+]CC2)c2cc(Br)ccc2n1 ZINC000002243378 132382840 /nfs/dbraw/zinc/38/28/40/132382840.db2.gz NMODVQMGKQKWHA-UHFFFAOYSA-N 1 0 360.177 3.426 40 0 FGABRO COc1ccccc1N1CC[NH+](C[C@H](O)c2c[nH]c3ccc(C)cc32)CC1 ZINC000019220579 136152304 /nfs/dbraw/zinc/15/23/04/136152304.db2.gz XYIUZWNALNLMEH-NRFANRHFSA-N 1 0 365.477 3.341 40 0 FGABRO C[C@H](O)C[NH2+]CCNCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000022075835 263384826 /nfs/dbraw/zinc/38/48/26/263384826.db2.gz LKFBJKKTRZLALC-AWEZNQCLSA-N 1 0 366.864 3.118 40 0 FGABRO C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH+]1CCC(N2CCN(c3ccccc3)CC2)CC1 ZINC000004712111 493888682 /nfs/dbraw/zinc/88/86/82/493888682.db2.gz IDTNYARQDYXIEF-QHAWAJNXSA-N 1 0 351.538 3.485 40 0 FGABRO NC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000039763265 494123933 /nfs/dbraw/zinc/12/39/33/494123933.db2.gz GXVARAZZKDXQBN-UHFFFAOYSA-N 1 0 371.868 3.290 40 0 FGABRO C[N@@H+]1CCCC[C@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216416 494144003 /nfs/dbraw/zinc/14/40/03/494144003.db2.gz YQRHMXNHUSYCBS-KRWDZBQOSA-N 1 0 360.502 3.296 40 0 FGABRO CC[NH+](CC)CCCNc1c(C)c(C)nc2cc(C3CCOCC3)nn21 ZINC000072336876 494153949 /nfs/dbraw/zinc/15/39/49/494153949.db2.gz ATPBERWYTXZVDU-UHFFFAOYSA-N 1 0 359.518 3.384 40 0 FGABRO Cn1cc(C[N@@H+]2CCC[C@H](c3cccc(-c4cccc(CO)c4)n3)C2)cn1 ZINC000072349968 494155691 /nfs/dbraw/zinc/15/56/91/494155691.db2.gz HEFLSTRRWUVUKL-FQEVSTJZSA-N 1 0 362.477 3.354 40 0 FGABRO Cn1cc([C@@H]2CN(C(=O)c3cccc(F)c3)C[C@H]2[NH+](C)C)c2ccccc21 ZINC000072395153 494163495 /nfs/dbraw/zinc/16/34/95/494163495.db2.gz FQPOTIRIZPNNLM-PZJWPPBQSA-N 1 0 365.452 3.487 40 0 FGABRO c1ccc(OCC2CC[NH+](Cc3cnc(N4CCCCC4)nc3)CC2)nc1 ZINC000012148198 494209181 /nfs/dbraw/zinc/20/91/81/494209181.db2.gz CBSVVAYKDSDEOI-UHFFFAOYSA-N 1 0 367.497 3.153 40 0 FGABRO O[C@@H](C[NH+]1CCC(O)(c2ccc(F)cc2)CC1)c1ccc2c(c1)CCC2 ZINC000012292552 494218789 /nfs/dbraw/zinc/21/87/89/494218789.db2.gz YWELHXQJIYSYMK-NRFANRHFSA-N 1 0 355.453 3.331 40 0 FGABRO Cc1ccn(C[C@H](C)[NH2+]Cc2cc(-c3ccc(Cl)cc3)c[nH]c2=O)n1 ZINC000012670740 494249376 /nfs/dbraw/zinc/24/93/76/494249376.db2.gz PQNRHYLQKZDPEH-AWEZNQCLSA-N 1 0 356.857 3.379 40 0 FGABRO COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCC[N@H+](Cc4cccnc4)[C@@H]32)cc1 ZINC000019019378 494434759 /nfs/dbraw/zinc/43/47/59/494434759.db2.gz QTRVJKDNMMQZOY-YPAWHYETSA-N 1 0 365.477 3.069 40 0 FGABRO Cc1cc(C)n(C[C@H](O)C[N@H+](Cc2ccco2)Cc2ccc(C)cc2)n1 ZINC000019210145 494438450 /nfs/dbraw/zinc/43/84/50/494438450.db2.gz DFGCXCHZBTYGBI-HXUWFJFHSA-N 1 0 353.466 3.465 40 0 FGABRO O=C(CCc1ccc(Cl)cc1)N1CCc2nc([C@H]3CCC[NH2+]3)ncc2C1 ZINC000019333573 494442570 /nfs/dbraw/zinc/44/25/70/494442570.db2.gz XXXRFBMEHXUYJM-GOSISDBHSA-N 1 0 370.884 3.072 40 0 FGABRO O[C@]1(c2ccccc2)CC[N@H+](Cc2cccc(OC[C@@H]3CCCO3)c2)C1 ZINC000019369771 494443170 /nfs/dbraw/zinc/44/31/70/494443170.db2.gz OGKGTIPNROVSPT-FCHUYYIVSA-N 1 0 353.462 3.338 40 0 FGABRO O=C(NC1CC[NH+](Cc2cccc(F)c2)CC1)[C@@H]1OCOc2ccccc21 ZINC000019375076 494443189 /nfs/dbraw/zinc/44/31/89/494443189.db2.gz KQNYBWQFYHYLMT-HXUWFJFHSA-N 1 0 370.424 3.014 40 0 FGABRO CC1(C)S[C@@H](C[NH3+])N[C@@H]1C(=O)OC(c1ccccc1)c1ccccc1 ZINC000019365603 494443870 /nfs/dbraw/zinc/44/38/70/494443870.db2.gz VJDBJGIOWKYECA-FUHWJXTLSA-N 1 0 356.491 3.088 40 0 FGABRO COc1cccc2c1OC[C@@H](C(=O)N1CCCC[C@@H]1CC[NH+]1CCCC1)C2 ZINC000019568303 494449863 /nfs/dbraw/zinc/44/98/63/494449863.db2.gz LFRNTZMIMOCPSU-RBUKOAKNSA-N 1 0 372.509 3.113 40 0 FGABRO C[NH+](C)C1CCC2(CC1)CN(C(=O)[C@H]1CCCCO1)Cc1ccccc1O2 ZINC000019583886 494451573 /nfs/dbraw/zinc/45/15/73/494451573.db2.gz UYABVMJXXPMIJP-AATLZSDMSA-N 1 0 372.509 3.220 40 0 FGABRO CC(C)c1nnc(CC(=O)Nc2cccc(C[N@@H+]3CCCC[C@H]3C)c2)[nH]1 ZINC000019718454 494457588 /nfs/dbraw/zinc/45/75/88/494457588.db2.gz IASUWCMESKWSBO-OAHLLOKOSA-N 1 0 355.486 3.484 40 0 FGABRO CCn1nc(C)c(CN(Cc2ccccn2)C[C@@H]2CCC[N@@H+]2CC)c1C ZINC000023247782 494559132 /nfs/dbraw/zinc/55/91/32/494559132.db2.gz ABNSXFHLKTWJAM-FQEVSTJZSA-N 1 0 355.530 3.401 40 0 FGABRO O=C(c1cc2ccccc2s1)N1Cc2ccnn2[C@H](C[NH+]2CCCC2)C1 ZINC000247939649 496930294 /nfs/dbraw/zinc/93/02/94/496930294.db2.gz PEJMRVCEPWRZBI-QGZVFWFLSA-N 1 0 366.490 3.391 40 0 FGABRO Cc1ncsc1C[N@@H+]1CC[C@@H]2OCCC[C@@]2(COc2cccnc2)C1 ZINC000248000036 496941417 /nfs/dbraw/zinc/94/14/17/496941417.db2.gz BMHZUFYHTAGWDH-OALUTQOASA-N 1 0 359.495 3.297 40 0 FGABRO C[NH+](C)CC[C@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)Cc2cncn21 ZINC000248123779 496957240 /nfs/dbraw/zinc/95/72/40/496957240.db2.gz NWUDJNZVGGCVLU-HNNXBMFYSA-N 1 0 372.856 3.432 40 0 FGABRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(Cn2ccnc2)cc1 ZINC000224803391 497053530 /nfs/dbraw/zinc/05/35/30/497053530.db2.gz SSQZRNIFWIDXKC-UHFFFAOYSA-N 1 0 374.488 3.457 40 0 FGABRO Fc1ccc(NC(=S)NC2CC[NH+](C3CCOCC3)CC2)cc1Cl ZINC000225213899 497058430 /nfs/dbraw/zinc/05/84/30/497058430.db2.gz DKDQGVVZKVIBKC-UHFFFAOYSA-N 1 0 371.909 3.409 40 0 FGABRO Cc1cc(NC(=S)NCCC[NH+]2CCCCC2)ccc1N1CCCC1=O ZINC000225411184 497061493 /nfs/dbraw/zinc/06/14/93/497061493.db2.gz ZSNBGOKOIHONKV-UHFFFAOYSA-N 1 0 374.554 3.284 40 0 FGABRO Cc1cc(-c2cnc(N3CC[N@@H+]4CCC[C@H]4C3)nc2-c2ccoc2C)on1 ZINC000253600404 497344373 /nfs/dbraw/zinc/34/43/73/497344373.db2.gz ONCNAOXJHBGGMA-HNNXBMFYSA-N 1 0 365.437 3.293 40 0 FGABRO Cc1cc(CC[C@H]2CN(CCCOc3ccccc3F)CCO2)ncn1 ZINC000257200329 497388852 /nfs/dbraw/zinc/38/88/52/497388852.db2.gz ACWVLZJJGURPEC-SFHVURJKSA-N 1 0 359.445 3.027 40 0 FGABRO C[NH2+]C[C@H]1CC[C@H](c2cc(CN(C)C(=O)C[C@H]3C=CCC3)n(C)n2)CC1 ZINC000257203251 497390868 /nfs/dbraw/zinc/39/08/68/497390868.db2.gz APFTXEGDHXAHMH-BZSNNMDCSA-N 1 0 358.530 3.228 40 0 FGABRO COc1cc(C)ccc1C[N@@H+]1CC[C@@H](c2ncncc2-c2noc(C)n2)C1 ZINC000257213489 497391416 /nfs/dbraw/zinc/39/14/16/497391416.db2.gz 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O=C(c1ccc(O)cc1)N1CCC[C@@]2(CCC[N@@H+]2C[C@@H]2CCCO2)CC1 ZINC000585100434 507567763 /nfs/dbraw/zinc/56/77/63/507567763.db2.gz KNOSBLGIUSKMKL-PZJWPPBQSA-N 1 0 358.482 3.032 40 0 FGABRO Cc1cccc(C[N@@H+]2CCOC[C@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)c1 ZINC000585104770 507570042 /nfs/dbraw/zinc/57/00/42/507570042.db2.gz SYVLUUGAKWRDCG-JOCHJYFZSA-N 1 0 368.452 3.390 40 0 FGABRO c1cncc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOc2cccnc2)c1 ZINC000585104756 507570516 /nfs/dbraw/zinc/57/05/16/507570516.db2.gz MAJSJWSCRAUGMD-LJQANCHMSA-N 1 0 353.466 3.317 40 0 FGABRO O[C@]1(COc2ccccc2F)CCC[N@H+](Cc2ccc3[nH]cnc3c2)CC1 ZINC000585270761 507581489 /nfs/dbraw/zinc/58/14/89/507581489.db2.gz QEOVCSOAQVYJQP-OAQYLSRUSA-N 1 0 369.440 3.498 40 0 FGABRO Cc1ccc2ncc(-c3cccc(C[C@H]4COC5(C4)CC[NH2+]CC5)n3)n2c1 ZINC000585263072 507582782 /nfs/dbraw/zinc/58/27/82/507582782.db2.gz INBYOMLXXVGYKB-QGZVFWFLSA-N 1 0 362.477 3.406 40 0 FGABRO CC(C)(C)OC(=O)N1CC([NH2+]CCc2ccccc2Br)C1 ZINC000090635728 518799246 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370.403 3.030 40 0 FGABRO O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038858767 208207825 /nfs/dbraw/zinc/20/78/25/208207825.db2.gz ZIZUWOIDLVDRGV-KRWDZBQOSA-N 1 0 370.424 3.083 40 0 FGABRO O=C(C[C@@H]1CC2(CC[NH+](CC3CC3)CC2)c2ccccc21)N1CCOCC1 ZINC000096052843 209103027 /nfs/dbraw/zinc/10/30/27/209103027.db2.gz UUZNCSBUISLJRD-LJQANCHMSA-N 1 0 368.521 3.166 40 0 FGABRO COc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccnc2)C3)cc1 ZINC000096049556 209103046 /nfs/dbraw/zinc/10/30/46/209103046.db2.gz TXYDNGRURCAPJA-QFIPXVFZSA-N 1 0 367.493 3.209 40 0 FGABRO CCC[NH2+]C[C@@H](O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1 ZINC000001853521 493799405 /nfs/dbraw/zinc/79/94/05/493799405.db2.gz KRBRHCLLOOCWQF-MRXNPFEDSA-N 1 0 353.418 3.199 40 0 in-man FGABRO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1Br ZINC000005222299 493920241 /nfs/dbraw/zinc/92/02/41/493920241.db2.gz ARDYYLOYCMPRGQ-XJKSGUPXSA-N 1 0 351.288 3.443 40 0 FGABRO COc1cc(CC[NH+]2CCN(c3cccc(C)c3)CC2)cc(OC)c1OC ZINC000005337814 493925982 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COc1ccc(C)cc1C[N@@H+]1C[C@@H]2CC[C@@](O)(c3ncccc3C)[C@@H]2C1 ZINC000019133198 494437209 /nfs/dbraw/zinc/43/72/09/494437209.db2.gz VITLRXRNPGWSJZ-KPLVRAHFSA-N 1 0 352.478 3.437 40 0 FGABRO Fc1ccc(C[N@H+](CCCN2CCOCC2)Cc2ccncc2)cc1F ZINC000019292823 494440942 /nfs/dbraw/zinc/44/09/42/494440942.db2.gz LRBWJEQZTDUPJJ-UHFFFAOYSA-N 1 0 361.436 3.084 40 0 FGABRO O[C@@H]1C[C@H]2CN(Cc3ccc(Cl)cc3)[C@@H](Cc3ccccc3)C[N@@H+]2C1 ZINC000019372784 494443325 /nfs/dbraw/zinc/44/33/25/494443325.db2.gz HJXZQAWAEYDLOF-PCCBWWKXSA-N 1 0 356.897 3.202 40 0 FGABRO O=c1cc(-c2ccncc2)nc([C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)[nH]1 ZINC000019349025 494443707 /nfs/dbraw/zinc/44/37/07/494443707.db2.gz TURXVACHTATUBW-QGZVFWFLSA-N 1 0 364.424 3.351 40 0 FGABRO O=C(C1CCC1)N1CCC(c2[nH]c3nccnc3c2C[NH+]2CCCC2)CC1 ZINC000019404241 494444836 /nfs/dbraw/zinc/44/48/36/494444836.db2.gz XVPWTZIKGNZADI-UHFFFAOYSA-N 1 0 367.497 3.060 40 0 FGABRO O=c1cc([C@H]2CCC[N@H+](Cc3ccccn3)C2)nc(-c2cccs2)[nH]1 ZINC000019401649 494445147 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COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4ccccn4)[C@@H]3C2)c(C)c1C ZINC000019577402 494451610 /nfs/dbraw/zinc/45/16/10/494451610.db2.gz IYSPPDPWUHSGFU-JQVVWYNYSA-N 1 0 352.478 3.437 40 0 FGABRO C[N@@H+]1CCc2nc([C@H]3CCCCN3C(=O)CCc3ccccc3)ncc2C1 ZINC000019590289 494451662 /nfs/dbraw/zinc/45/16/62/494451662.db2.gz ATBCUTLYEUHENS-HXUWFJFHSA-N 1 0 364.493 3.151 40 0 FGABRO CCN(C(=O)c1ccnc(N2CCCC2)c1)[C@@H]1C[NH2+]C2(C1)CCCCC2 ZINC000019703858 494455059 /nfs/dbraw/zinc/45/50/59/494455059.db2.gz WTDBMSVHFRNAIA-SFHVURJKSA-N 1 0 356.514 3.209 40 0 FGABRO COc1ccc(-c2ncc(CN3CC[C@@H]4[NH2+]CCCCC[C@H]43)cn2)cc1 ZINC000019712496 494455859 /nfs/dbraw/zinc/45/58/59/494455859.db2.gz KXYHBRXVIZBRHG-VQTJNVASSA-N 1 0 352.482 3.259 40 0 FGABRO CC1CCN(c2ncc(-c3cncn3CCC[NH+]3CCCCC3)cn2)CC1 ZINC000019719984 494458877 /nfs/dbraw/zinc/45/88/77/494458877.db2.gz SZKLSVPHPXHIBQ-UHFFFAOYSA-N 1 0 368.529 3.452 40 0 FGABRO COc1ccc(-c2cn3c(n2)CO[C@@H](C[NH2+]Cc2ccccc2F)C3)cc1 ZINC000096269253 495008692 /nfs/dbraw/zinc/00/86/92/495008692.db2.gz GOYXPOIVIYSLSD-SFHVURJKSA-N 1 0 367.424 3.386 40 0 biogenic,in-vitro FGABRO c1ccc(COCC[C@H]2CCOC23CC[NH+](Cc2cccnc2)CC3)nc1 ZINC000247912251 496926608 /nfs/dbraw/zinc/92/66/08/496926608.db2.gz YPJAXHUCAJEMOL-FQEVSTJZSA-N 1 0 367.493 3.455 40 0 FGABRO Cc1ncsc1C[N@@H+]1CC[C@@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC000248009207 496942350 /nfs/dbraw/zinc/94/23/50/496942350.db2.gz FUZLGEQDECGAAJ-HKUYNNGSSA-N 1 0 359.495 3.297 40 0 FGABRO Cc1ccccc1C(=O)N1CC2(C1)CC[C@@H](C[N@@H+](C)Cc1ccco1)CO2 ZINC000248072631 496951701 /nfs/dbraw/zinc/95/17/01/496951701.db2.gz BGKPCNTUQDWLRI-SFHVURJKSA-N 1 0 368.477 3.341 40 0 FGABRO C[N@H+](Cc1ccco1)[C@@H]1CCC[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]21 ZINC000248125010 496957658 /nfs/dbraw/zinc/95/76/58/496957658.db2.gz OJGLYWYCPRXLMP-PWIZWCRZSA-N 1 0 374.506 3.201 40 0 FGABRO COc1cc(C)c(S(=O)(=O)NCCC[NH+]2CCCCC2)cc1C(C)C ZINC000223541649 497038857 /nfs/dbraw/zinc/03/88/57/497038857.db2.gz RRLKCBRYZPUJCW-UHFFFAOYSA-N 1 0 368.543 3.281 40 0 FGABRO C[NH+]1CCC(Oc2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2)CC1 ZINC000225404141 497062031 /nfs/dbraw/zinc/06/20/31/497062031.db2.gz KWZATXBBXIPFRB-UHFFFAOYSA-N 1 0 368.433 3.183 40 0 FGABRO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@H+](Cc1c[nH]c3ccccc13)C2 ZINC000225494147 497064759 /nfs/dbraw/zinc/06/47/59/497064759.db2.gz ZYBLVOVGXCTLBS-SFHVURJKSA-N 1 0 350.466 3.074 40 0 biogenic,in-vitro FGABRO CC(C)(Br)C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000225594254 497068779 /nfs/dbraw/zinc/06/87/79/497068779.db2.gz OOFOWGTYWDUTRF-UHFFFAOYSA-N 1 0 355.276 3.273 40 0 FGABRO CC(C)C[N@@H+]1CCN2[C@H](CN(C(=O)c3ccc(Cl)cc3)CC2(C)C)C1 ZINC000253399420 497331937 /nfs/dbraw/zinc/33/19/37/497331937.db2.gz JDUBURPJKAJJOW-SFHVURJKSA-N 1 0 363.933 3.217 40 0 biogenic,in-vitro FGABRO CCc1ncc(C[N@@H+]2C[C@@H]3CCC[C@@](O)(c4ccc(F)cc4)[C@H]3C2)cn1 ZINC000253606587 497346158 /nfs/dbraw/zinc/34/61/58/497346158.db2.gz VKTJQXSXGKQACM-NBHGPNQESA-N 1 0 355.457 3.298 40 0 FGABRO Cc1cccc(Nc2nccnc2C2CC[NH+](Cc3cncn3C)CC2)n1 ZINC000257204878 497390265 /nfs/dbraw/zinc/39/02/65/497390265.db2.gz AWQVKKPCXRUQPV-UHFFFAOYSA-N 1 0 363.469 3.037 40 0 FGABRO CC(C)[N@@H+]1CCC[C@](C)(c2ccc3c(N)c(C(=O)N(C)C)sc3n2)C1 ZINC000257220214 497391889 /nfs/dbraw/zinc/39/18/89/497391889.db2.gz DKAWXZRHHRMCQI-IBGZPJMESA-N 1 0 360.527 3.342 40 0 FGABRO Cc1noc(C)c1-c1cccc(C(=O)NCc2ccccc2C[NH+](C)C)n1 ZINC000257213873 497392281 /nfs/dbraw/zinc/39/22/81/497392281.db2.gz CJKPIBSEWUBTRS-UHFFFAOYSA-N 1 0 364.449 3.345 40 0 FGABRO Cc1cnc(Nc2nccnc2[C@@H]2CCCN(Cc3cn(C)cn3)C2)s1 ZINC000257222256 497392412 /nfs/dbraw/zinc/39/24/12/497392412.db2.gz DSOVIARJCSSXOR-CQSZACIVSA-N 1 0 369.498 3.098 40 0 FGABRO Cc1ccsc1C[N@H+]1CCC[C@H](Cc2cc(C(=O)N(C)C)nc(C)n2)C1 ZINC000257231184 497393936 /nfs/dbraw/zinc/39/39/36/497393936.db2.gz GFQLEWBSNYTNDS-MRXNPFEDSA-N 1 0 372.538 3.311 40 0 FGABRO O=C(C[NH+]1CCCC1)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257253851 497395121 /nfs/dbraw/zinc/39/51/21/497395121.db2.gz KANOEWSHPVITDZ-KRWDZBQOSA-N 1 0 371.456 3.206 40 0 FGABRO C[NH+](C)Cc1cccc([C@H]2CCCN2C(=O)CCOc2ccccc2)n1 ZINC000257243638 497395409 /nfs/dbraw/zinc/39/54/09/497395409.db2.gz IHWSKAQCWKZTQC-HXUWFJFHSA-N 1 0 353.466 3.276 40 0 FGABRO C[N@@H+]1CCC[C@@H]2N(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)CCC[C@@]21C ZINC000257281620 497397816 /nfs/dbraw/zinc/39/78/16/497397816.db2.gz OQDVQRCALHSFIS-ICSRJNTNSA-N 1 0 356.445 3.305 40 0 FGABRO COc1cc(C)ccc1OCC(=O)N1CCC[C@@]2(C)[C@@H]1CCCC[N@@H+]2C ZINC000257274815 497398467 /nfs/dbraw/zinc/39/84/67/497398467.db2.gz NMTHDRKKHIQZSO-FPOVZHCZSA-N 1 0 360.498 3.248 40 0 FGABRO Cc1ncsc1C[N@@H+]1CCC[C@@H](c2nc(C)cc(-c3ncc[nH]3)n2)C1 ZINC000257285721 497399028 /nfs/dbraw/zinc/39/90/28/497399028.db2.gz PILRLYXGYHVKHR-CQSZACIVSA-N 1 0 354.483 3.320 40 0 FGABRO Cc1nc(Nc2cc([C@H]3CCN(Cc4cc[nH]n4)C3)nc(C)n2)sc1C ZINC000257303217 497401048 /nfs/dbraw/zinc/40/10/48/497401048.db2.gz SGGKTIAFRPBXHL-AWEZNQCLSA-N 1 0 369.498 3.315 40 0 FGABRO CC1(C)C[C@H]2[C@H](CCC[N@@H+]2CC(N)=O)N1c1cccc(C(F)(F)F)c1 ZINC000257301430 497401359 /nfs/dbraw/zinc/40/13/59/497401359.db2.gz RYKHCCNDJAWIST-GJZGRUSLSA-N 1 0 355.404 3.012 40 0 FGABRO C[NH+]1CCC(n2ccc(=NC(=O)N3CCC[C@@H]3c3ccsc3)[nH]2)CC1 ZINC000330208259 498062464 /nfs/dbraw/zinc/06/24/64/498062464.db2.gz GQIHUCJEASQOSC-MRXNPFEDSA-N 1 0 359.499 3.002 40 0 FGABRO O=C1c2cccn2[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2N1Cc1cccnc1 ZINC000306125651 498736478 /nfs/dbraw/zinc/73/64/78/498736478.db2.gz CXACAWVYXMUQPZ-RBUKOAKNSA-N 1 0 364.474 3.026 40 0 FGABRO COc1ccc(-c2cnc3n2C[C@@H]2C[N@@H+](Cc4ccccn4)C[C@@H]2C3)cc1 ZINC000306126258 498739262 /nfs/dbraw/zinc/73/92/62/498739262.db2.gz DQYZLQZDJUSFPC-ROUUACIJSA-N 1 0 360.461 3.258 40 0 FGABRO CN1Cc2nnc(-c3cccs3)n2C2(CC[NH+](Cc3ccoc3)CC2)C1 ZINC000306144027 498743597 /nfs/dbraw/zinc/74/35/97/498743597.db2.gz YTTKODAOBRGSNF-UHFFFAOYSA-N 1 0 369.494 3.036 40 0 FGABRO Cc1cc(C)c(Nc2cc(C3CC3)nc(NCCC[NH+](C)C)n2)c(C)c1 ZINC000328970847 499003032 /nfs/dbraw/zinc/00/30/32/499003032.db2.gz DMTGSFHOUZJDRA-UHFFFAOYSA-N 1 0 353.514 3.230 40 0 FGABRO Cc1ccc(Cl)cc1Nc1cc(C(F)(F)F)nc(NCC[NH+](C)C)n1 ZINC000328981249 499005431 /nfs/dbraw/zinc/00/54/31/499005431.db2.gz GTPXZTQCVILMIN-UHFFFAOYSA-N 1 0 373.810 3.018 40 0 FGABRO Brc1ccccc1CNc1cc(C2CC2)[nH+]c(NC2CC2)n1 ZINC000329046581 499025594 /nfs/dbraw/zinc/02/55/94/499025594.db2.gz UCEBHJUSZOKFKF-UHFFFAOYSA-N 1 0 359.271 3.147 40 0 FGABRO Cc1nnsc1C(=O)N1CCC[C@]12CCC[N@@H+](CCC(C)C)CC2 ZINC000585100597 507567922 /nfs/dbraw/zinc/56/79/22/507567922.db2.gz PFPOOZXLSNAMQV-SFHVURJKSA-N 1 0 350.532 3.353 40 0 FGABRO COc1ccc(C[NH+]2CC3(C2)C[C@H](OCc2ccccn2)CS3)cc1 ZINC000585105368 507572056 /nfs/dbraw/zinc/57/20/56/507572056.db2.gz VJCAFFZFVSOKJZ-IBGZPJMESA-N 1 0 356.491 3.367 40 0 FGABRO CC(=O)N1CC[C@H]([NH2+]CCc2cccc(F)c2)[C@H](Cc2ccccc2)C1 ZINC000585285488 507584253 /nfs/dbraw/zinc/58/42/53/507584253.db2.gz KEFMRJTWFZKSFG-IRLDBZIGSA-N 1 0 354.469 3.438 40 0 FGABRO CC1(C)CCC([N@@H+]2CCOC[C@@](O)(COc3ccc(F)c(F)c3)C2)CC1 ZINC000585281209 507584461 /nfs/dbraw/zinc/58/44/61/507584461.db2.gz GQKAAMAREYPPIK-HXUWFJFHSA-N 1 0 369.452 3.376 40 0 FGABRO COc1ccc(Cl)c(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)c1 ZINC000228929897 571278244 /nfs/dbraw/zinc/27/82/44/571278244.db2.gz IIFCHNGMAMNOPA-UHFFFAOYSA-N 1 0 358.833 3.156 40 0 FGABRO C[NH+](C)Cc1cccc([C@@H]2CCCN2C(=O)c2cc(C(C)(C)C)n[nH]2)n1 ZINC000257340088 210001785 /nfs/dbraw/zinc/00/17/85/210001785.db2.gz ZELLKCBMDFDNEU-KRWDZBQOSA-N 1 0 355.486 3.141 40 0 FGABRO COC[C@H]1C[N@H+](C)CC12CCN(C(=O)CCc1ccc(Cl)cc1)CC2 ZINC000247960388 209919758 /nfs/dbraw/zinc/91/97/58/209919758.db2.gz DKUXOIUUNXLDIG-QGZVFWFLSA-N 1 0 364.917 3.089 40 0 FGABRO CC[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccc2ccccc2c1 ZINC000008300743 291068673 /nfs/dbraw/zinc/06/86/73/291068673.db2.gz SNCOCXJKZADMMK-ZYSHUDEJSA-N 1 0 358.507 3.239 40 0 biogenic,in-vitro FGABRO C[C@@H](Sc1nc(N)cc(N)n1)C(=O)N(c1ccccc1)c1ccccc1 ZINC000000793618 209376092 /nfs/dbraw/zinc/37/60/92/209376092.db2.gz CGKYPDOLMYHUJC-CYBMUJFWSA-N 1 0 365.462 3.487 40 0 FGABRO c1[nH]c2ccccc2c1Cc1nnc([C@H]2CC[N@@H+](C3CCOCC3)C2)o1 ZINC000049169781 209333443 /nfs/dbraw/zinc/33/34/43/209333443.db2.gz XDWJPJMZJHKZSF-AWEZNQCLSA-N 1 0 352.438 3.110 40 0 biogenic,in-vitro FGABRO Fc1ccc(OCc2nnc([C@H]3CC[N@H+](Cc4cccnc4)C3)o2)cc1 ZINC000049170405 209334841 /nfs/dbraw/zinc/33/48/41/209334841.db2.gz XGARTGSMPWXWHD-HNNXBMFYSA-N 1 0 354.385 3.172 40 0 biogenic,in-vitro FGABRO O=C1CC2(CN1Cc1ccncc1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC000108525651 209288953 /nfs/dbraw/zinc/28/89/53/209288953.db2.gz ISDLESSNWHQOHL-UHFFFAOYSA-N 1 0 353.441 3.235 40 0 FGABRO COC(=O)c1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)c1 ZINC000100809378 209217894 /nfs/dbraw/zinc/21/78/94/209217894.db2.gz TZGMKLWRZMNEFZ-CALCHBBNSA-N 1 0 362.470 3.399 40 0 FGABRO COc1ccccc1CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](C[NH3+])CC1 ZINC000100750355 209217060 /nfs/dbraw/zinc/21/70/60/209217060.db2.gz PQFVSTSXXZEYAS-HYFFOGBASA-N 1 0 367.493 3.255 40 0 FGABRO CC[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3ccc(-n4cccc4)cc3)C2)C1 ZINC000096228865 209140722 /nfs/dbraw/zinc/14/07/22/209140722.db2.gz YIPRWLTUCGKHDD-QFIPXVFZSA-N 1 0 367.493 3.052 40 0 FGABRO CC(C)[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3cc4ccccc4[nH]3)C2)C1 ZINC000096228734 209139999 /nfs/dbraw/zinc/13/99/99/209139999.db2.gz HZSNSKFAETVRCI-OAQYLSRUSA-N 1 0 355.482 3.131 40 0 FGABRO CC(C)CNC(=O)C1=NO[C@@]2(CC[N@H+](Cc3ccc(C(C)C)cc3)C2)C1 ZINC000096225471 209139528 /nfs/dbraw/zinc/13/95/28/209139528.db2.gz KGEIRWBLXKZFOB-NRFANRHFSA-N 1 0 357.498 3.303 40 0 FGABRO c1ccc2c(c1)N(C[C@@H]1CCCO1)CC21CCN(CC[NH+]2CCCC2)CC1 ZINC000096241335 209143281 /nfs/dbraw/zinc/14/32/81/209143281.db2.gz CYWVTVNIPVIPDE-FQEVSTJZSA-N 1 0 369.553 3.115 40 0 FGABRO CC[N@@H+]1C[C@@H](COCc2ccccn2)[C@]2(CCN(Cc3ccco3)C2)C1 ZINC000096215791 209136658 /nfs/dbraw/zinc/13/66/58/209136658.db2.gz QFFMAWQDQWQCPV-GHTZIAJQSA-N 1 0 355.482 3.035 40 0 FGABRO Cc1cccc(C[N@@H+]2CC[C@H]3OCC[C@@]3(CCNc3ccccn3)C2)n1 ZINC000096206109 209135085 /nfs/dbraw/zinc/13/50/85/209135085.db2.gz HUYSYLMFGNBNHT-CTNGQTDRSA-N 1 0 352.482 3.268 40 0 FGABRO Cc1nc(CO[C@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccccn2)C3)cs1 ZINC000096206971 209134263 /nfs/dbraw/zinc/13/42/63/209134263.db2.gz LOROKDYHJLVPNE-MOPGFXCFSA-N 1 0 359.495 3.187 40 0 FGABRO COC[C@H]1COCCC12CC[NH+](CCOc1ccc(Cl)cc1)CC2 ZINC000096106331 209113496 /nfs/dbraw/zinc/11/34/96/209113496.db2.gz BAJSYIDURUMULL-INIZCTEOSA-N 1 0 353.890 3.484 40 0 FGABRO Cc1cccc(C[N@@H+]2CCC[C@]3(C[C@@H](OCc4ccncc4)CO3)C2)n1 ZINC000096107299 209112993 /nfs/dbraw/zinc/11/29/93/209112993.db2.gz QRJFOLGNGCOQNA-RTWAWAEBSA-N 1 0 353.466 3.125 40 0 FGABRO COc1ccc(C[N@@H+]2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@@H]3C2)cc1 ZINC000096100387 209111730 /nfs/dbraw/zinc/11/17/30/209111730.db2.gz VQJUEBUEHMVUOB-DHIUTWEWSA-N 1 0 364.489 3.460 40 0 FGABRO COc1ccc(CN2CCO[C@]3(CCCC[C@@H]3[NH+]3CCCC3)C2)cc1O ZINC000306137557 206671238 /nfs/dbraw/zinc/67/12/38/206671238.db2.gz QZVBOWIBYPGUCF-LEWJYISDSA-N 1 0 360.498 3.010 40 0 FGABRO CCN1c2ccccc2C(=O)N(CCC[NH+](C)C)c2ccccc2C1=O ZINC000005456144 207100973 /nfs/dbraw/zinc/10/09/73/207100973.db2.gz VPKCUPPMETUPTQ-UHFFFAOYSA-N 1 0 351.450 3.265 40 0 FGABRO COCCOc1cccc(C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)c1 ZINC000012240707 207352162 /nfs/dbraw/zinc/35/21/62/207352162.db2.gz XOAIXLSHFVDHQX-UHFFFAOYSA-N 1 0 359.441 3.335 40 0 FGABRO COc1cc2c(cc1C[NH+]1CCC(O)(c3ccc(C)cc3)CC1)OCO2 ZINC000012292805 207352700 /nfs/dbraw/zinc/35/27/00/207352700.db2.gz SHTKGNMJKYTHAO-UHFFFAOYSA-N 1 0 355.434 3.216 40 0 FGABRO Cc1ccc2c(c1)C[N@@H+](C)C[C@@]1(CCCN(C(=O)Cc3ccccc3)C1)O2 ZINC000012366371 207365533 /nfs/dbraw/zinc/36/55/33/207365533.db2.gz ZBIXAIJXPJBBFR-HSZRJFAPSA-N 1 0 364.489 3.423 40 0 FGABRO O=C(/C=C/c1ccc2c(c1)OCO2)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032462162 208027032 /nfs/dbraw/zinc/02/70/32/208027032.db2.gz NKXGENLQAYCJJV-VQHVLOKHSA-N 1 0 364.445 3.341 40 0 FGABRO Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H](C(=O)N3CCCCCC3)C2)c(C)c1 ZINC000036734368 208172583 /nfs/dbraw/zinc/17/25/83/208172583.db2.gz XOZNROPNZSVZIA-PZJWPPBQSA-N 1 0 358.526 3.451 40 0 FGABRO COC(=O)c1ccc(C[NH+]2CCC(c3nnc(C(F)(F)F)o3)CC2)cc1 ZINC000077198041 208196802 /nfs/dbraw/zinc/19/68/02/208196802.db2.gz HMHMTOZQJPQPPV-UHFFFAOYSA-N 1 0 369.343 3.255 40 0 FGABRO COc1ccccc1O[C@H](C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044873110 208319073 /nfs/dbraw/zinc/31/90/73/208319073.db2.gz YPXJPJJRLWCMEL-QGZVFWFLSA-N 1 0 368.477 3.375 40 0 FGABRO CN(CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000044916752 208323264 /nfs/dbraw/zinc/32/32/64/208323264.db2.gz KJKFMTOYMRPSEG-LJQANCHMSA-N 1 0 369.484 3.290 40 0 FGABRO CCOC(=O)[C@@]12C[N@@H+](C(C)C)C[C@@H]1CN(Cc1ccc(OC)cc1)CCC2 ZINC000096055907 209105024 /nfs/dbraw/zinc/10/50/24/209105024.db2.gz FZGXUMGRNCMINM-UGKGYDQZSA-N 1 0 374.525 3.181 40 0 FGABRO Cc1ccc(C[N@@H+]2CC[C@]3(CC[C@H](C(=O)NCC4CC4)O3)[C@@H](C)C2)s1 ZINC000096061288 209104359 /nfs/dbraw/zinc/10/43/59/209104359.db2.gz LCXYALRTPJNUSN-BOUXLOLZSA-N 1 0 362.539 3.342 40 0 FGABRO Cn1cc(C[NH+]2CCC3(CCN(C(=O)c4cccs4)CC3)CC2)cn1 ZINC000096047295 209100560 /nfs/dbraw/zinc/10/05/60/209100560.db2.gz GOWUTFQIYLCOBK-UHFFFAOYSA-N 1 0 358.511 3.000 40 0 FGABRO c1ccc(C[N@H+]2CC[C@H]3OCCC[C@]3(COCc3cccnc3)C2)nc1 ZINC000096040098 209098727 /nfs/dbraw/zinc/09/87/27/209098727.db2.gz ISSPGGPHHDAFOE-NHCUHLMSSA-N 1 0 353.466 3.065 40 0 FGABRO c1cncc(COC[C@@]23CCCO[C@H]2CC[N@H+](Cc2ccncc2)C3)c1 ZINC000096040104 209097554 /nfs/dbraw/zinc/09/75/54/209097554.db2.gz PHLHKOLRWDDKET-SFTDATJTSA-N 1 0 353.466 3.065 40 0 FGABRO CNc1nc(N2CCc3ccc(Br)cc3C2)cc(C(C)C)[nH+]1 ZINC000328987029 132372411 /nfs/dbraw/zinc/37/24/11/132372411.db2.gz IABYYBRYKUAVSU-UHFFFAOYSA-N 1 0 361.287 3.389 40 0 FGABRO CC(C)c1nc(N2CCc3cc([C@@H](C)O)ccc3C2)cc(N[C@@H](C)CO)[nH+]1 ZINC000329019898 132372582 /nfs/dbraw/zinc/37/25/82/132372582.db2.gz NYXFIDQVYQTSII-LSDHHAIUSA-N 1 0 370.497 3.009 40 0 FGABRO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)CO[C@@H]2CCC[C@@H]2C)CC1 ZINC000023993791 132374092 /nfs/dbraw/zinc/37/40/92/132374092.db2.gz ASGBNDDPSCZXIH-XKGZKEIXSA-N 1 0 366.933 3.337 40 0 FGABRO C[C@@H](Cn1cncc1-c1cnc(N2CCC(C)CC2)nc1)[NH+]1CCCCC1 ZINC000019719987 132891704 /nfs/dbraw/zinc/89/17/04/132891704.db2.gz XCUUKZOFZTWIKV-SFHVURJKSA-N 1 0 368.529 3.451 40 0 FGABRO Nc1cc(N)[nH+]c(SCC(=O)Nc2ccccc2Oc2ccccc2)n1 ZINC000003524850 493851510 /nfs/dbraw/zinc/85/15/10/493851510.db2.gz VAPAWTAZCARLTH-UHFFFAOYSA-N 1 0 367.434 3.164 40 0 FGABRO C[NH+](C)CCCNC(=S)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000004966811 493904651 /nfs/dbraw/zinc/90/46/51/493904651.db2.gz DFNDRGLOLXHLMY-UHFFFAOYSA-N 1 0 367.946 3.061 40 0 FGABRO COCCOc1cccc(C[N@@H+]2C[C@H]3ON=C(c4ccc(C)cc4)[C@@H]3C2)c1 ZINC000072343298 494154921 /nfs/dbraw/zinc/15/49/21/494154921.db2.gz XATJFCRVNCOWKF-NHCUHLMSSA-N 1 0 366.461 3.255 40 0 FGABRO O=C(CCc1ccc(F)cc1)N1CC[NH2+]C[C@@H](COCc2ccccc2)C1 ZINC000072354537 494157099 /nfs/dbraw/zinc/15/70/99/494157099.db2.gz CNJUCPWYDCTQCM-HXUWFJFHSA-N 1 0 370.468 3.023 40 0 FGABRO CN(C)C(=O)C[N@@H+]1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359615 494157296 /nfs/dbraw/zinc/15/72/96/494157296.db2.gz YPCHDXVIGXZTLV-OAHLLOKOSA-N 1 0 358.873 3.065 40 0 FGABRO c1ccc(CC[N@@H+]2CCC[C@H](c3ccnc(Nc4cnccn4)n3)C2)cc1 ZINC000072377575 494159325 /nfs/dbraw/zinc/15/93/25/494159325.db2.gz LHFVSVKOXZQIIZ-SFHVURJKSA-N 1 0 360.465 3.432 40 0 FGABRO O=c1cc([C@H]2CCC[N@@H+](Cc3ccccc3F)C2)nc(-c2cccnc2)[nH]1 ZINC000072393048 494163352 /nfs/dbraw/zinc/16/33/52/494163352.db2.gz QLDHLSZCGKGHSP-KRWDZBQOSA-N 1 0 364.424 3.351 40 0 FGABRO COc1ccc(C[NH+]2CCC(c3cc(N)n4nc(C)cc4n3)CC2)cc1 ZINC000012121494 494207230 /nfs/dbraw/zinc/20/72/30/494207230.db2.gz ONDVVZWWSSRTBE-UHFFFAOYSA-N 1 0 351.454 3.008 40 0 FGABRO Cn1cccc1C[NH+]1CCC(c2cc(N)n3nc(C(C)(C)C)cc3n2)CC1 ZINC000012120856 494207363 /nfs/dbraw/zinc/20/73/63/494207363.db2.gz HGTYTOUSJKFHHN-UHFFFAOYSA-N 1 0 366.513 3.327 40 0 FGABRO CCc1ncc(C[N@@H+]2C[C@@H]3CCC[C@@](O)(c4ccccc4OC)[C@@H]3C2)cn1 ZINC000012276708 494219093 /nfs/dbraw/zinc/21/90/93/494219093.db2.gz RAEYJWJNGGKLRB-LRXVAGHRSA-N 1 0 367.493 3.167 40 0 FGABRO Cn1c2ccc(C[N@@H+](Cc3ccccc3)C[C@H]3CCCO3)cc2n(C)c1=O ZINC000013993392 494298866 /nfs/dbraw/zinc/29/88/66/494298866.db2.gz SDOMACRRJBQABF-LJQANCHMSA-N 1 0 365.477 3.058 40 0 FGABRO O=c1[nH]c2cc3c(cc2cc1C[NH2+]Cc1ccc(Cl)cc1)OCCO3 ZINC000013999195 494299475 /nfs/dbraw/zinc/29/94/75/494299475.db2.gz OCKRSSKPGMELHU-UHFFFAOYSA-N 1 0 356.809 3.243 40 0 FGABRO COc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3CC3CCCCC3)n2)cc1 ZINC000015674681 494364970 /nfs/dbraw/zinc/36/49/70/494364970.db2.gz IXJPYQFKYGFZRF-AEFFLSMTSA-N 1 0 357.454 3.433 40 0 biogenic,in-vitro FGABRO COc1ccc(C[N@H+]2C[C@H]3[C@H](CC[C@]3(O)c3ccc(C)cn3)C2)c(F)c1 ZINC000019216125 494438284 /nfs/dbraw/zinc/43/82/84/494438284.db2.gz OJFNCFNNAUZZTK-FYINFDKHSA-N 1 0 356.441 3.267 40 0 FGABRO Clc1ccc(CN2CCc3nc([C@@H]4CC[NH2+]C4)ncc3C2)cc1Cl ZINC000019292970 494440741 /nfs/dbraw/zinc/44/07/41/494440741.db2.gz SNWGECACNIXILE-CYBMUJFWSA-N 1 0 363.292 3.419 40 0 FGABRO NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CC[N@H+](Cc2ccccn2)C1 ZINC000019348477 494442362 /nfs/dbraw/zinc/44/23/62/494442362.db2.gz SXFYWJASYVIFAB-QHCPKHFHSA-N 1 0 372.472 3.064 40 0 FGABRO CCCC(=O)NC1CC[NH+](Cc2cc(-c3ccccc3F)nn2C)CC1 ZINC000019501738 494446531 /nfs/dbraw/zinc/44/65/31/494446531.db2.gz MYCLPBHTNPOPOY-UHFFFAOYSA-N 1 0 358.461 3.107 40 0 FGABRO CC[NH+]1CCN([C@@H](c2nnnn2C2CCCCC2)c2ccc(C)cc2)CC1 ZINC000019527989 494447303 /nfs/dbraw/zinc/44/73/03/494447303.db2.gz KTMXUTNBVQXFDH-HXUWFJFHSA-N 1 0 368.529 3.214 40 0 FGABRO CCn1c(CCC(=O)N[C@@H](C)C[NH+]2CCCCCC2)nc2ccccc21 ZINC000019524284 494447915 /nfs/dbraw/zinc/44/79/15/494447915.db2.gz QCXBULYFAHECBQ-KRWDZBQOSA-N 1 0 356.514 3.370 40 0 FGABRO COc1cccc2c1OC[C@@H](C(=O)N1CCCC[C@H]1CC[NH+]1CCCC1)C2 ZINC000019568308 494450089 /nfs/dbraw/zinc/45/00/89/494450089.db2.gz LFRNTZMIMOCPSU-OALUTQOASA-N 1 0 372.509 3.113 40 0 FGABRO COc1ccccc1C[N@@H+]1CCC[C@@H](c2cc(C(=O)N3CCCC3)on2)C1 ZINC000019570285 494450519 /nfs/dbraw/zinc/45/05/19/494450519.db2.gz WOIBNPSQNIWXAH-MRXNPFEDSA-N 1 0 369.465 3.299 40 0 FGABRO CCN(C(=O)c1ccnc(N2CCCC2)c1)[C@H]1C[NH2+]C2(C1)CCCCC2 ZINC000019703859 494455221 /nfs/dbraw/zinc/45/52/21/494455221.db2.gz WTDBMSVHFRNAIA-GOSISDBHSA-N 1 0 356.514 3.209 40 0 FGABRO Cc1nc([C@@H]2CCC[N@H+]2C(C)C)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019754136 494460270 /nfs/dbraw/zinc/46/02/70/494460270.db2.gz WOGZJRPGPVDBHD-SFHVURJKSA-N 1 0 356.445 3.399 40 0 FGABRO Cc1ccccc1N1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000025227107 494710191 /nfs/dbraw/zinc/71/01/91/494710191.db2.gz DWCYMFYXKFCWTH-SFHVURJKSA-N 1 0 360.885 3.210 40 0 FGABRO C[NH+](C)C[C@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)Cc2cncn21 ZINC000248120875 496955905 /nfs/dbraw/zinc/95/59/05/496955905.db2.gz NAEJXMMVDFNIBM-HNNXBMFYSA-N 1 0 358.829 3.041 40 0 FGABRO [NH3+]CCCNc1ccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1 ZINC000223222658 497032861 /nfs/dbraw/zinc/03/28/61/497032861.db2.gz UYYZTTPXKIYERF-UHFFFAOYSA-N 1 0 364.457 3.325 40 0 FGABRO CSc1nnc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)s1 ZINC000223211425 497033546 /nfs/dbraw/zinc/03/35/46/497033546.db2.gz HTOQQBUSLVKCGL-UHFFFAOYSA-N 1 0 366.487 3.250 40 0 FGABRO Cc1ccc(CS(=O)(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000224615268 497051032 /nfs/dbraw/zinc/05/10/32/497051032.db2.gz ASBJBHZIXRYQJX-UHFFFAOYSA-N 1 0 358.507 3.210 40 0 FGABRO COC(=O)c1cccc(NC(=S)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000225729715 497073088 /nfs/dbraw/zinc/07/30/88/497073088.db2.gz XAEHFFSMHXPOQL-GASCZTMLSA-N 1 0 363.527 3.128 40 0 FGABRO Cc1ccc(NC(=S)NCc2ccc(OC3CC[NH+](C)CC3)cc2)nc1 ZINC000225773810 497074891 /nfs/dbraw/zinc/07/48/91/497074891.db2.gz UWIWYINSTUMSOO-UHFFFAOYSA-N 1 0 370.522 3.350 40 0 FGABRO c1cc(COCC[C@@H]2CCOC23CC[NH+](CC2CCOCC2)CC3)ccn1 ZINC000253477196 497334901 /nfs/dbraw/zinc/33/49/01/497334901.db2.gz DKZCJHWHZCODLC-OAQYLSRUSA-N 1 0 374.525 3.286 40 0 FGABRO Cc1c[nH]c(-c2cncc([C@H]3CCC[N@H+](Cc4scnc4C)C3)n2)n1 ZINC000257221215 497392531 /nfs/dbraw/zinc/39/25/31/497392531.db2.gz DOAAOOCXFQYQSA-AWEZNQCLSA-N 1 0 354.483 3.320 40 0 FGABRO C[NH2+]Cc1cc([C@H]2CC[C@H](CN(C)C(=O)[C@H]3CC=CCC3)CC2)nn1C ZINC000257234275 497393430 /nfs/dbraw/zinc/39/34/30/497393430.db2.gz GSVRWQBJGISZPS-BZSNNMDCSA-N 1 0 358.530 3.228 40 0 FGABRO Fc1ccccc1C[N@@H+]1CCC[C@H](Cc2cnc(-c3ncc[nH]3)cn2)C1 ZINC000257319885 497402099 /nfs/dbraw/zinc/40/20/99/497402099.db2.gz VULDZSNBYJEQOV-OAHLLOKOSA-N 1 0 351.429 3.461 40 0 FGABRO COc1ccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4ccoc4)C2)OC3)cc1 ZINC000306136008 498740688 /nfs/dbraw/zinc/74/06/88/498740688.db2.gz PGJSAWQUEOMXBW-NRFANRHFSA-N 1 0 365.433 3.327 40 0 FGABRO C[N@@H+](Cc1cccnc1)C[C@H]1CCC2(CN(C(=O)C3=CCCCC3)C2)OC1 ZINC000306141921 498742968 /nfs/dbraw/zinc/74/29/68/498742968.db2.gz WJZXBBGVJFIVRX-LJQANCHMSA-N 1 0 369.509 3.021 40 0 FGABRO c1ccc(-c2cc(NCCC3CC[NH2+]CC3)nc(NC3CCCC3)n2)cc1 ZINC000328999270 499010630 /nfs/dbraw/zinc/01/06/30/499010630.db2.gz JVLVQMSLGGRAQP-UHFFFAOYSA-N 1 0 365.525 3.144 40 0 FGABRO Cc1ccc(C)c(Nc2cc(C(F)(F)F)nc(NCCC[NH+](C)C)n2)c1 ZINC000329036485 499021858 /nfs/dbraw/zinc/02/18/58/499021858.db2.gz RJKVSRLLWWUETR-UHFFFAOYSA-N 1 0 367.419 3.063 40 0 FGABRO CC(C)(C)C1CCC(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000408710171 499594403 /nfs/dbraw/zinc/59/44/03/499594403.db2.gz RCYQIXOHQWYGNZ-UHFFFAOYSA-N 1 0 365.562 3.133 40 0 FGABRO COc1cc([C@H]2C=C(c3ccc(Cl)cc3)[NH+]=C3N=CNN32)ccc1O ZINC000408917701 499595270 /nfs/dbraw/zinc/59/52/70/499595270.db2.gz AEQSTQOUEJHTFC-OAHLLOKOSA-N 1 0 354.797 3.355 40 0 FGABRO Cc1nc(C[N@@H+]2CCC3(C2)CCN(C(=O)c2ccnc(F)c2)CC3)cs1 ZINC000585099789 507565684 /nfs/dbraw/zinc/56/56/84/507565684.db2.gz ZJURLKFAZVYYFU-UHFFFAOYSA-N 1 0 374.485 3.114 40 0 FGABRO O=C(c1ccc(O)cc1)N1CCC[C@]2(CCC[N@@H+]2C[C@H]2CCCO2)CC1 ZINC000585100335 507567942 /nfs/dbraw/zinc/56/79/42/507567942.db2.gz KNOSBLGIUSKMKL-CTNGQTDRSA-N 1 0 358.482 3.032 40 0 FGABRO c1ccc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOCc2cccnc2)nc1 ZINC000585105089 507570532 /nfs/dbraw/zinc/57/05/32/507570532.db2.gz PEVRZVXOTGZHNQ-HXUWFJFHSA-N 1 0 367.493 3.455 40 0 FGABRO O[C@@]1(COc2cc(F)cc(F)c2)COCC[N@@H+](C2CCCCCC2)C1 ZINC000585281813 507584773 /nfs/dbraw/zinc/58/47/73/507584773.db2.gz BJYYKKWQQHNZBQ-LJQANCHMSA-N 1 0 355.425 3.130 40 0 FGABRO Cc1cnc(Nc2nccnc2[C@H]2CCC[N@H+](Cc3c[nH]nc3C)C2)s1 ZINC000257279767 526097763 /nfs/dbraw/zinc/09/77/63/526097763.db2.gz OICHWMRUVAULAI-AWEZNQCLSA-N 1 0 369.498 3.396 40 0 FGABRO Cc1cccnc1Nc1nccnc1[C@@H]1CCC[N@@H+](Cc2ccnn2C)C1 ZINC000257341132 210004264 /nfs/dbraw/zinc/00/42/64/210004264.db2.gz ZIXUGAKETOWPPA-MRXNPFEDSA-N 1 0 363.469 3.037 40 0 FGABRO Brc1cccc(-c2ccc3nnc(C4CC[NH2+]CC4)n3n2)c1 ZINC000217560028 209659506 /nfs/dbraw/zinc/65/95/06/209659506.db2.gz DJHPLIMATHSSAJ-UHFFFAOYSA-N 1 0 358.243 3.021 40 0 FGABRO Cc1cccnc1Nc1nccnc1[C@H]1CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000257296437 223055681 /nfs/dbraw/zinc/05/56/81/223055681.db2.gz RCVVZNIEJCKYCE-KRWDZBQOSA-N 1 0 363.469 3.037 40 0 FGABRO CC(C)C[C@@H]1[NH2+][C@H](C(=O)NCc2cccnc2)Cc2c[nH]c3cccc1c23 ZINC000049171417 209334823 /nfs/dbraw/zinc/33/48/23/209334823.db2.gz NGLQXQNGRLNJTN-PMACEKPBSA-N 1 0 362.477 3.481 40 0 biogenic,in-vitro FGABRO O=C(c1c[nH]c2ccccc12)N1CCC[C@]2(C[C@@H](C[NH+]3CCCC3)CO2)C1 ZINC000096228346 209141181 /nfs/dbraw/zinc/14/11/81/209141181.db2.gz PYTGIERHORANNY-JTSKRJEESA-N 1 0 367.493 3.275 40 0 FGABRO Cc1cccc(CN2CC[C@]3(CCC[N@H+](Cc4ccsc4)C3)C2=O)n1 ZINC000096224712 209139428 /nfs/dbraw/zinc/13/94/28/209139428.db2.gz RFMNQDJSOCETHK-FQEVSTJZSA-N 1 0 355.507 3.466 40 0 FGABRO Cc1ccc(C(=O)N2CCC3(CC[C@H](COCC4CC4)[N@H+]3C)CC2)cc1 ZINC000096208676 209136877 /nfs/dbraw/zinc/13/68/77/209136877.db2.gz PGYBJKOVVBGFHB-HXUWFJFHSA-N 1 0 356.510 3.491 40 0 FGABRO Cc1oncc1C(=O)N1C[C@H]2[C@@H](C1)CCC[C@@H]2[N@H+](C)Cc1cccs1 ZINC000096183111 209132062 /nfs/dbraw/zinc/13/20/62/209132062.db2.gz XFPCJLZNVOLBGH-JLSDUUJJSA-N 1 0 359.495 3.417 40 0 FGABRO CCC(CC)NC(=O)c1ccc2ccc(N3CC[NH+](C(C)C)CC3)n2c1 ZINC000096156094 209125869 /nfs/dbraw/zinc/12/58/69/209125869.db2.gz RYIXRLYNRAQUHX-UHFFFAOYSA-N 1 0 356.514 3.388 40 0 FGABRO c1ccc(CC[NH+]2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)cc1 ZINC000096106769 209112683 /nfs/dbraw/zinc/11/26/83/209112683.db2.gz JXYJUUQQGLMAKK-OAQYLSRUSA-N 1 0 352.478 3.464 40 0 FGABRO COc1cccc(CN2CC[C@]3(CC[N@H+](Cc4ccc(F)cc4)C3)C2=O)c1 ZINC000096077350 209108566 /nfs/dbraw/zinc/10/85/66/209108566.db2.gz NJVYCWPAIAEVQG-QFIPXVFZSA-N 1 0 368.452 3.459 40 0 FGABRO CC(C)[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3cnc4ccccc4c3)C2)C1 ZINC000096076225 209108345 /nfs/dbraw/zinc/10/83/45/209108345.db2.gz HZQCTQPVIPUIEW-JOCHJYFZSA-N 1 0 367.493 3.198 40 0 FGABRO Cc1noc(C)c1C[N@@H+]1CC[C@H]2OCCC[C@]2(COc2cccnc2)C1 ZINC000096065076 209107204 /nfs/dbraw/zinc/10/72/04/209107204.db2.gz UYFFQAXTGXRTJR-WOJBJXKFSA-N 1 0 357.454 3.137 40 0 FGABRO CC1(C)C=C(CC(=O)Nc2ccc(Cn3cncn3)cc2)CC(C)(C)[NH2+]1 ZINC000019460839 220260508 /nfs/dbraw/zinc/26/05/08/220260508.db2.gz ALKJMEDKRYADDQ-UHFFFAOYSA-N 1 0 353.470 3.132 40 0 FGABRO Cc1ccsc1C[N@@H+]1CC[C@H]2C[C@H](C(=O)Nc3cccnc3)O[C@H]2C1 ZINC000096066312 209106796 /nfs/dbraw/zinc/10/67/96/209106796.db2.gz SUCXTXDTVQHTOX-UAGQMJEPSA-N 1 0 357.479 3.070 40 0 FGABRO Cc1nc(CN2CCOC[C@]3(CC[N@H+](Cc4cccs4)C3)C2)cs1 ZINC000096062400 209106753 /nfs/dbraw/zinc/10/67/53/209106753.db2.gz PRGMHPYKINQAQH-SFHVURJKSA-N 1 0 363.552 3.238 40 0 FGABRO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1Br ZINC000005636685 207108881 /nfs/dbraw/zinc/10/88/81/207108881.db2.gz ARDYYLOYCMPRGQ-CJNGLKHVSA-N 1 0 351.288 3.443 40 0 FGABRO COc1cccc(C[N@H+](C)C[C@@H](O)COCC2=CC[C@H]3C[C@@H]2C3(C)C)c1 ZINC000006605238 207148857 /nfs/dbraw/zinc/14/88/57/207148857.db2.gz WSKOWHSLJSBACL-ZVDOUQERSA-N 1 0 359.510 3.497 40 0 FGABRO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1cccc(Cl)c1 ZINC000010544238 207302927 /nfs/dbraw/zinc/30/29/27/207302927.db2.gz IPSCAOJXRDDLQJ-QGZVFWFLSA-N 1 0 358.935 3.414 40 0 FGABRO CC(C)(C)c1cc2nc(C3CC[NH+](Cc4ccccn4)CC3)cc(N)n2n1 ZINC000012088788 207336685 /nfs/dbraw/zinc/33/66/85/207336685.db2.gz ZFQQRYSSMVDOME-UHFFFAOYSA-N 1 0 364.497 3.384 40 0 FGABRO CC(C)C(=O)N[C@@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000012089231 207337543 /nfs/dbraw/zinc/33/75/43/207337543.db2.gz KWTNRZXSRYNGQH-IAGOWNOFSA-N 1 0 358.511 3.264 40 0 FGABRO CC(=O)N1Cc2ccccc2O[C@@H]([C@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000012135396 207340526 /nfs/dbraw/zinc/34/05/26/207340526.db2.gz KOQHNMOEEYUCJR-SIKLNZKXSA-N 1 0 365.477 3.103 40 0 FGABRO CCCc1ncc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(OC)cc2)C3)cn1 ZINC000012242177 207352142 /nfs/dbraw/zinc/35/21/42/207352142.db2.gz BEEDBMFQOISGFX-QIDMFYOTSA-N 1 0 367.493 3.452 40 0 FGABRO Cc1ncsc1C(=O)N1Cc2cc(C)ccc2OC2(CC[NH+](C)CC2)C1 ZINC000012365217 207365391 /nfs/dbraw/zinc/36/53/91/207365391.db2.gz NUBUHBISRGBSHI-UHFFFAOYSA-N 1 0 371.506 3.259 40 0 FGABRO C[NH+](C)C[C@H]1COc2ccccc2CN1C(=O)C1(c2ccccc2F)CC1 ZINC000012366173 207366490 /nfs/dbraw/zinc/36/64/90/207366490.db2.gz RYSGSDGJAMFQJV-KRWDZBQOSA-N 1 0 368.452 3.209 40 0 FGABRO COc1ccc(CC[NH2+]C[C@@H](O)COCC2=CC[C@@H]3C[C@H]2C3(C)C)cc1 ZINC000035269009 208122477 /nfs/dbraw/zinc/12/24/77/208122477.db2.gz WLNQZNJOYYZTHB-SFHLNBCPSA-N 1 0 359.510 3.197 40 0 FGABRO CC(C)(C)OC(=O)N[C@H]1CCN([C@@H](C[NH3+])c2ccc(C(F)(F)F)cc2)C1 ZINC000035622940 208133193 /nfs/dbraw/zinc/13/31/93/208133193.db2.gz ASGBDICQONEGBH-GJZGRUSLSA-N 1 0 373.419 3.304 40 0 FGABRO COC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038834536 208205317 /nfs/dbraw/zinc/20/53/17/208205317.db2.gz PESXULKPAHJOOP-INIZCTEOSA-N 1 0 370.424 3.463 40 0 FGABRO COc1ccc(C[N@@H+]2C[C@@H](OCc3cccnc3)[C@H]3OCCC[C@@H]32)cc1 ZINC000096058098 209105385 /nfs/dbraw/zinc/10/53/85/209105385.db2.gz JLYZIMSNZJAOAF-HBMCJLEFSA-N 1 0 354.450 3.039 40 0 FGABRO COc1ccc(C[N@@H+]2CCC(F)(F)[C@@]3(CCN(c4ncccn4)C3)C2)cc1 ZINC000096051172 209102923 /nfs/dbraw/zinc/10/29/23/209102923.db2.gz HCXVSBUZVLIRMK-IBGZPJMESA-N 1 0 374.435 3.223 40 0 FGABRO COc1cccc(CN2CC[C@]3(CC[N@H+](Cc4ccc(C)o4)C3)C2=O)c1 ZINC000096050657 209102159 /nfs/dbraw/zinc/10/21/59/209102159.db2.gz MWNQMVHNCWFELP-NRFANRHFSA-N 1 0 354.450 3.221 40 0 FGABRO FC1(F)CC[N@H+](Cc2cccs2)C[C@@]12CCN(c1ncccn1)C2 ZINC000096051163 209101707 /nfs/dbraw/zinc/10/17/07/209101707.db2.gz BLPHMHGAGUSMEV-MRXNPFEDSA-N 1 0 350.438 3.276 40 0 FGABRO Fc1cccnc1OC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccncc1)C2 ZINC000096040475 209097822 /nfs/dbraw/zinc/09/78/22/209097822.db2.gz ZBWJZMOHNWESKS-UYAOXDASSA-N 1 0 357.429 3.066 40 0 FGABRO [NH3+]Cc1cccc(-c2cccnc2C(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000257302540 132296842 /nfs/dbraw/zinc/29/68/42/132296842.db2.gz SDGUENRAZKWQLU-UHFFFAOYSA-N 1 0 372.472 3.170 40 0 FGABRO C[NH+](C)CCNc1nc(C2CC2)cc(N2Cc3ccccc3C(C)(C)C2)n1 ZINC000328995806 132372330 /nfs/dbraw/zinc/37/23/30/132372330.db2.gz JIJQLBJFUDQSKW-UHFFFAOYSA-N 1 0 365.525 3.047 40 0 FGABRO COc1ccc(CCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1OC ZINC000010338957 263365178 /nfs/dbraw/zinc/36/51/78/263365178.db2.gz ZLYQAFOMSIZTGC-UHFFFAOYSA-N 1 0 368.477 3.272 40 0 FGABRO CC(C)OCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220667 493780277 /nfs/dbraw/zinc/78/02/77/493780277.db2.gz HYJNJIPYSOCGRM-KRWDZBQOSA-N 1 0 352.906 3.483 40 0 FGABRO COc1ccccc1C1(O)CCN(CC(C)(C)C[NH+]2CCCCC2)CC1 ZINC000057822734 493803000 /nfs/dbraw/zinc/80/30/00/493803000.db2.gz MJURQFPKWSBXKZ-UHFFFAOYSA-N 1 0 360.542 3.491 40 0 FGABRO CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCC[C@](O)(c2ccc(F)cc2)CC1 ZINC000060016381 493912150 /nfs/dbraw/zinc/91/21/50/493912150.db2.gz ZLPHSYRSKUEUAT-PZJWPPBQSA-N 1 0 362.489 3.290 40 0 FGABRO CC1CC[NH+](C[C@H](O)COc2c(F)cc(Br)cc2F)CC1 ZINC000005307024 493924302 /nfs/dbraw/zinc/92/43/02/493924302.db2.gz BQPSDYNEQPFMBN-LBPRGKRZSA-N 1 0 364.230 3.199 40 0 FGABRO Cn1cc(C[N@@H+]2CCC[C@@H](c3nccnc3-c3cccc(F)c3)C2)cn1 ZINC000072359056 494157690 /nfs/dbraw/zinc/15/76/90/494157690.db2.gz JBMOMZHHQROTGJ-QGZVFWFLSA-N 1 0 351.429 3.396 40 0 FGABRO COc1ccc(-c2c(C)nn3c2nc(C)c(C)c3N2CC[NH+](C)CC2)cc1 ZINC000012113352 494203496 /nfs/dbraw/zinc/20/34/96/494203496.db2.gz ZOVISLCZGNWGGT-UHFFFAOYSA-N 1 0 365.481 3.082 40 0 FGABRO CC(=O)N1Cc2ccccc2O[C@@H]([C@@H]2CCC[N@H+](Cc3ccccn3)C2)C1 ZINC000019019666 494434579 /nfs/dbraw/zinc/43/45/79/494434579.db2.gz DAYGVGPYVOLATK-XMSQKQJNSA-N 1 0 365.477 3.103 40 0 FGABRO Cn1nc(-c2ccc(CNC(=O)[C@@H]3CC=CCC3)cc2)cc1C[NH+](C)C ZINC000019288867 494439100 /nfs/dbraw/zinc/43/91/00/494439100.db2.gz NCABWSYDQCNTMH-GOSISDBHSA-N 1 0 352.482 3.121 40 0 FGABRO Cc1cccnc1[C@]1(O)CC[C@H]2C[N@@H+](Cc3cc4c(cc3C)OCO4)C[C@H]21 ZINC000019237850 494439594 /nfs/dbraw/zinc/43/95/94/494439594.db2.gz FABPCOJZGWAMGB-CECAUBDESA-N 1 0 366.461 3.157 40 0 FGABRO O=S(=O)(c1ccc(F)cc1)N1C[C@H]2CCC[C@@H](C1)C2[NH+]1CCCCC1 ZINC000019335056 494441764 /nfs/dbraw/zinc/44/17/64/494441764.db2.gz PCHOUNRZALMLLS-MCPYQZEQSA-N 1 0 366.502 3.101 40 0 FGABRO [NH3+]CCC(=O)N1[C@@H]2CC[C@H]1c1c(nc(C3CC3)nc1Nc1ccccc1)C2 ZINC000019373007 494443685 /nfs/dbraw/zinc/44/36/85/494443685.db2.gz PVGYDZHJUJSICL-WBVHZDCISA-N 1 0 363.465 3.035 40 0 FGABRO CCCC(=O)NC1CC[NH+](Cc2cc(-c3ccc(F)cc3)nn2C)CC1 ZINC000019501737 494445765 /nfs/dbraw/zinc/44/57/65/494445765.db2.gz BVZCOGPGAXPJQW-UHFFFAOYSA-N 1 0 358.461 3.107 40 0 FGABRO C[C@@H]1CCC[N@@H+](C2CCN(Cc3cnc(N4CCCCC4)nc3)CC2)C1 ZINC000019496488 494446566 /nfs/dbraw/zinc/44/65/66/494446566.db2.gz TYSKNXHEJJJTLP-GOSISDBHSA-N 1 0 357.546 3.163 40 0 FGABRO COc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1Cn1nc(C)cc1C ZINC000019574401 494450509 /nfs/dbraw/zinc/45/05/09/494450509.db2.gz JRNXFJBOBMAFPX-GHTZIAJQSA-N 1 0 368.525 3.225 40 0 FGABRO C[NH2+]C1CCC2(CC1)CN(C(=O)c1scnc1C)Cc1ccccc1O2 ZINC000019562212 494450562 /nfs/dbraw/zinc/45/05/62/494450562.db2.gz BRCRVYCTCYBSHY-UHFFFAOYSA-N 1 0 371.506 3.387 40 0 FGABRO CN(C)C(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCc1ccccc1C2=O ZINC000019581347 494451623 /nfs/dbraw/zinc/45/16/23/494451623.db2.gz APZGEAVGWZJPKC-OFNKIYASSA-N 1 0 362.473 3.022 40 0 FGABRO C[C@H]1C[C@H](OC[C@H](O)C[NH+]2CCN(Cc3ccccc3)CC2)CC(C)(C)C1 ZINC000022588949 494528354 /nfs/dbraw/zinc/52/83/54/494528354.db2.gz SFIMEMADLNGLGG-NNWRFLSQSA-N 1 0 374.569 3.397 40 0 FGABRO C[N@H+]1[C@@H]2CC[C@H]1CC(N1CCO[C@H]1c1ccc(Br)cc1)C2 ZINC000100925510 495066965 /nfs/dbraw/zinc/06/69/65/495066965.db2.gz OTGHLIKJDISSBZ-WFVVYAPDSA-N 1 0 351.288 3.405 40 0 FGABRO Cc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@@H+]3C[C@H]3CCOC3)cc2n1 ZINC000247813515 496917292 /nfs/dbraw/zinc/91/72/92/496917292.db2.gz BAZADTNOPZEOSW-OCCSQVGLSA-N 1 0 354.376 3.230 40 0 FGABRO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1c(C)cc(OC)cc1C ZINC000223105364 497032580 /nfs/dbraw/zinc/03/25/80/497032580.db2.gz HWXHNPLGQGSSIA-KRWDZBQOSA-N 1 0 368.543 3.245 40 0 FGABRO Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(Br)cc3)[C@@H]2[NH3+])cc1 ZINC000252516803 497309514 /nfs/dbraw/zinc/30/95/14/497309514.db2.gz WZSVTYVQNACFCI-PMPSAXMXSA-N 1 0 366.280 3.025 40 0 FGABRO O=C(C[NH+]1CCCC1)N1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257206260 497390828 /nfs/dbraw/zinc/39/08/28/497390828.db2.gz BCQABUSAPLLSSI-GOSISDBHSA-N 1 0 357.429 3.164 40 0 FGABRO Cc1c[nH]c(-c2nccnc2CC2CCN(Cc3cscn3)CC2)n1 ZINC000257224221 497391709 /nfs/dbraw/zinc/39/17/09/497391709.db2.gz FAVRKALGBLFDBP-UHFFFAOYSA-N 1 0 354.483 3.086 40 0 FGABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccccc3)C2)cc1 ZINC000257214081 497392564 /nfs/dbraw/zinc/39/25/64/497392564.db2.gz CKLDIGJYAVIGIJ-OAQYLSRUSA-N 1 0 354.450 3.051 40 0 FGABRO Cc1noc(C)c1-c1cc(C2CC[NH+](Cc3cnccn3)CC2)nc(C)n1 ZINC000257249596 497394884 /nfs/dbraw/zinc/39/48/84/497394884.db2.gz JJAFVYCVINTQSQ-UHFFFAOYSA-N 1 0 364.453 3.226 40 0 FGABRO Cc1cccc2nc(C(=O)N3C[C@@H]4C[C@@]5(C)[C@H](CCCC[C@@H]35)[N@@H+]4C)cn21 ZINC000257248752 497395628 /nfs/dbraw/zinc/39/56/28/497395628.db2.gz JFAJVAZRGWWNOT-JWVYWZTKSA-N 1 0 352.482 3.120 40 0 FGABRO Cn1cc(CN2CCO[C@H](c3cccc(Cc4ccccc4F)n3)C2)cn1 ZINC000257275235 497397507 /nfs/dbraw/zinc/39/75/07/497397507.db2.gz NOMGRKPOQCJBFI-NRFANRHFSA-N 1 0 366.440 3.119 40 0 FGABRO Cc1nc(Nc2ccccn2)cc([C@@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)n1 ZINC000257280301 497397541 /nfs/dbraw/zinc/39/75/41/497397541.db2.gz OKIORLFZKPSHOI-QGZVFWFLSA-N 1 0 363.469 3.037 40 0 FGABRO Fc1ccccc1C[N@@H+]1CCC[C@H](Cc2cncc(-c3ncc[nH]3)n2)C1 ZINC000257291841 497399646 /nfs/dbraw/zinc/39/96/46/497399646.db2.gz QIVDPSITIOXHQF-OAHLLOKOSA-N 1 0 351.429 3.461 40 0 FGABRO C[C@]1(COc2cccnc2)C[C@@H]2C[N@H+](Cc3ncccc3F)CC[C@@H]2O1 ZINC000257286460 497399781 /nfs/dbraw/zinc/39/97/81/497399781.db2.gz PLQUTYOCPRIMCX-UIAACRFSSA-N 1 0 357.429 3.064 40 0 FGABRO [NH3+]Cc1cccc(-c2cccnc2C(=O)NCCOc2ccc(F)cc2)c1 ZINC000257287810 497399842 /nfs/dbraw/zinc/39/98/42/497399842.db2.gz PROZMKTXWAMWCP-UHFFFAOYSA-N 1 0 365.408 3.155 40 0 FGABRO COc1ccccc1CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](C[NH3+])CC1 ZINC000257287499 497399963 /nfs/dbraw/zinc/39/99/63/497399963.db2.gz PQFVSTSXXZEYAS-DRSNIGMVSA-N 1 0 367.493 3.255 40 0 FGABRO Cc1ccc(-c2cc(C(=O)N3CCC[C@@H]4[N@H+](C)CCC[C@@]43C)[nH]n2)cc1 ZINC000257317169 497401970 /nfs/dbraw/zinc/40/19/70/497401970.db2.gz VIRADEVYGLPDJZ-FPOVZHCZSA-N 1 0 352.482 3.474 40 0 FGABRO CC[NH+](CC)CCCN(Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000575422854 505975460 /nfs/dbraw/zinc/97/54/60/505975460.db2.gz WVYSWGLYGSLZHY-KRWDZBQOSA-N 1 0 372.962 3.061 40 0 FGABRO c1cnc2c(c1)N(Cc1cccnc1)C[C@@]21CC[N@H+](Cc2cccnc2)C1 ZINC000306124555 498736251 /nfs/dbraw/zinc/73/62/51/498736251.db2.gz BTNGITUORWVNJP-QFIPXVFZSA-N 1 0 357.461 3.036 40 0 FGABRO c1ccc(CN2C[C@@]3(CC[N@H+](Cc4cccnc4)C3)c3ncccc32)nc1 ZINC000306136641 498740136 /nfs/dbraw/zinc/74/01/36/498740136.db2.gz PYYVSYXWVQWVJM-QFIPXVFZSA-N 1 0 357.461 3.036 40 0 FGABRO Cc1ccc(C[NH+]2CCC3(CC2)c2ccccc2N(C)S3(=O)=O)s1 ZINC000306143903 498742659 /nfs/dbraw/zinc/74/26/59/498742659.db2.gz YQKDWMHMJNPFPC-UHFFFAOYSA-N 1 0 362.520 3.327 40 0 FGABRO c1cncc(C[N@@H+]2CC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 ZINC000306141766 498742943 /nfs/dbraw/zinc/74/29/43/498742943.db2.gz WFSVJNVGVQKKMX-IBGZPJMESA-N 1 0 356.433 3.176 40 0 FGABRO C[NH+](C)CCNc1nc(Nc2ccc(Cl)c(Cl)c2)cc(C2CC2)n1 ZINC000328988255 499007943 /nfs/dbraw/zinc/00/79/43/499007943.db2.gz IFOUUZGHWIBAPX-UHFFFAOYSA-N 1 0 366.296 3.222 40 0 FGABRO O=C(c1nccc2ccccc21)N1CCC[C@]2(CC[N@@H+]2C[C@@H]2CCCO2)C1 ZINC000585102105 507567828 /nfs/dbraw/zinc/56/78/28/507567828.db2.gz RVRDORXXJHDBFO-AVRDEDQJSA-N 1 0 365.477 3.094 40 0 FGABRO CCn1cc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOc2cccnc2)cn1 ZINC000585103668 507570861 /nfs/dbraw/zinc/57/08/61/507570861.db2.gz CLVBYBOEHFDWNX-LJQANCHMSA-N 1 0 370.497 3.138 40 0 FGABRO COc1cccc(C[NH2+][C@H]2CCN(C(C)=O)C[C@H]2Cc2ccccc2)c1 ZINC000585268812 507581692 /nfs/dbraw/zinc/58/16/92/507581692.db2.gz AEDKZUOEFNYSMG-IRLDBZIGSA-N 1 0 352.478 3.265 40 0 FGABRO FC(F)(F)Cc1cnc(Nc2cc(C[C@H]3C[NH2+]CCOC3)ccn2)s1 ZINC000585262809 507582865 /nfs/dbraw/zinc/58/28/65/507582865.db2.gz IAACECYEKHXMLR-LBPRGKRZSA-N 1 0 372.416 3.165 40 0 FGABRO Cc1ccccc1OCC[NH2+][C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585289197 507586034 /nfs/dbraw/zinc/58/60/34/507586034.db2.gz NUZLNYGZKGOBGJ-CEWLAPEOSA-N 1 0 359.441 3.464 40 0 FGABRO CCNc1cc(N2CCc3cc(C(=O)OC)ccc3C2)nc(C2CC2)[nH+]1 ZINC000329063457 535522789 /nfs/dbraw/zinc/52/27/89/535522789.db2.gz XERFUHCHTZSXCW-UHFFFAOYSA-N 1 0 352.438 3.135 40 0 FGABRO O=C(Cc1ccsc1)N1Cc2ccnn2C[C@H](CC[NH+]2CCCCC2)C1 ZINC000247886264 209918891 /nfs/dbraw/zinc/91/88/91/209918891.db2.gz XELVRTLUGRCVTA-GOSISDBHSA-N 1 0 372.538 3.022 40 0 FGABRO O=S(=O)(Cc1ccccc1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224671975 209790602 /nfs/dbraw/zinc/79/06/02/209790602.db2.gz WPYLKDXEKWHHMC-UHFFFAOYSA-N 1 0 358.507 3.292 40 0 FGABRO COc1ccccc1C[NH+]1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 ZINC000108528662 209288937 /nfs/dbraw/zinc/28/89/37/209288937.db2.gz JONXQLPFKZBIRK-SFHVURJKSA-N 1 0 368.481 3.111 40 0 FGABRO Cc1ccc(C[NH+]2CCC3(CC2)C[C@H](Nc2ncccn2)CCO3)s1 ZINC000108528675 209289059 /nfs/dbraw/zinc/28/90/59/209289059.db2.gz QBNBQLWBKJPGHL-MRXNPFEDSA-N 1 0 358.511 3.472 40 0 FGABRO COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](C[NH3+])CC1 ZINC000100750284 209217177 /nfs/dbraw/zinc/21/71/77/209217177.db2.gz GPPUOYCDVFMQDC-GQIGUUNPSA-N 1 0 353.466 3.326 40 0 FGABRO CC(C)C[N@@H+]1CCc2cc(C(=O)N3CCCC3)c(NCC3CC3)nc2CC1 ZINC000096260617 209146358 /nfs/dbraw/zinc/14/63/58/209146358.db2.gz CHXQYZAWCJVWEH-UHFFFAOYSA-N 1 0 370.541 3.196 40 0 FGABRO COC[C@@H]1CC2(C[N@@H+]1C(C)C)CCN(C(=O)c1cc(C)nc(C)c1)CC2 ZINC000096208360 209134040 /nfs/dbraw/zinc/13/40/40/209134040.db2.gz KTWLMWADWIRMSL-IBGZPJMESA-N 1 0 359.514 3.050 40 0 FGABRO Cc1ccc(C[N@@H+]2CC[C@]3(C[C@H](OCC4CCOCC4)CO3)C2)s1 ZINC000096206813 209133924 /nfs/dbraw/zinc/13/39/24/209133924.db2.gz IGWGERXHMCTDNT-HKUYNNGSSA-N 1 0 351.512 3.233 40 0 FGABRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC000012188392 207346090 /nfs/dbraw/zinc/34/60/90/207346090.db2.gz XMQJTKGHYZKCSB-FQEVSTJZSA-N 1 0 374.431 3.126 40 0 FGABRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](C[C@@H](O)c2ccc(C)cc2)CC1 ZINC000012188312 207346536 /nfs/dbraw/zinc/34/65/36/207346536.db2.gz WCLREPAHNKINIR-OAQYLSRUSA-N 1 0 370.468 3.295 40 0 FGABRO CC(=O)N1Cc2ccccc2O[C@H]([C@@H]2CCC[N@H+](Cc3ccncc3)C2)C1 ZINC000012135399 207341491 /nfs/dbraw/zinc/34/14/91/207341491.db2.gz XITMNRCWFXXLED-KNQAVFIVSA-N 1 0 365.477 3.103 40 0 FGABRO COc1ccccc1C1(O)CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000012330713 207363248 /nfs/dbraw/zinc/36/32/48/207363248.db2.gz WVJPKMGFTZQULN-UHFFFAOYSA-N 1 0 363.461 3.365 40 0 FGABRO C[NH+](C)CCCN(Cc1cnn(-c2ccc(F)cc2)c1)Cc1ccccn1 ZINC000019582214 207688788 /nfs/dbraw/zinc/68/87/88/207688788.db2.gz MTHYARKAEYIKAX-UHFFFAOYSA-N 1 0 367.472 3.360 40 0 FGABRO Cc1cc(C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)nc2ccccc12 ZINC000019656470 207693499 /nfs/dbraw/zinc/69/34/99/207693499.db2.gz QTQQKPMRGWIOAW-UHFFFAOYSA-N 1 0 367.493 3.118 40 0 FGABRO Cc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000031666898 208015438 /nfs/dbraw/zinc/01/54/38/208015438.db2.gz YYEGWUYPTYSALH-LJQANCHMSA-N 1 0 360.885 3.210 40 0 FGABRO COc1ccccc1NC(=S)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000044222034 208313379 /nfs/dbraw/zinc/31/33/79/208313379.db2.gz YGMXIZTYEUNYKJ-UHFFFAOYSA-N 1 0 356.495 3.041 40 0 FGABRO Cc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](C(=O)NCc4ccco4)CC[C@H]32)s1 ZINC000096057548 209105067 /nfs/dbraw/zinc/10/50/67/209105067.db2.gz MBMSCBXUQCNTJN-KZNAEPCWSA-N 1 0 360.479 3.088 40 0 FGABRO Cc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(Cc4c(C)noc4C)C3)C2)s1 ZINC000096050949 209103234 /nfs/dbraw/zinc/10/32/34/209103234.db2.gz CYBHWRGPGAVTDQ-LJQANCHMSA-N 1 0 359.495 3.286 40 0 FGABRO COc1cccc(CN2CC[C@@]3(CC[N@H+](Cc4ccc(C)o4)C3)C2=O)c1 ZINC000096050658 209101989 /nfs/dbraw/zinc/10/19/89/209101989.db2.gz MWNQMVHNCWFELP-OAQYLSRUSA-N 1 0 354.450 3.221 40 0 FGABRO Cc1ccc(C[N@@H+]2CCC[C@]3(CCN(Cc4cccc(C)n4)C3=O)C2)o1 ZINC000096048792 209100935 /nfs/dbraw/zinc/10/09/35/209100935.db2.gz KUYMHWKDMZMYCH-NRFANRHFSA-N 1 0 353.466 3.306 40 0 FGABRO O=C(Nc1cccnc1)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3ccsc3)C[C@H]21 ZINC000096043364 209099174 /nfs/dbraw/zinc/09/91/74/209099174.db2.gz ATRSGOKMHKMUJF-FGTMMUONSA-N 1 0 357.479 3.009 40 0 FGABRO C[NH+](C)C1CCN(C(=O)c2nc3c(s2)CCCN3c2ccccc2)CC1 ZINC000096146850 132220377 /nfs/dbraw/zinc/22/03/77/132220377.db2.gz AXVUJRYBVFPEMN-UHFFFAOYSA-N 1 0 370.522 3.394 40 0 FGABRO COc1cccc(C[N@@H+]2CCC3(C2)CCN(c2ncc(C)cn2)CC3)c1 ZINC000096157462 132220983 /nfs/dbraw/zinc/22/09/83/132220983.db2.gz OVSFUHXHQCRZIA-UHFFFAOYSA-N 1 0 352.482 3.286 40 0 FGABRO COc1cccc(-c2cnc3c(N4CC[NH+](C5CCC5)CC4)nccn23)c1 ZINC000306129676 132301575 /nfs/dbraw/zinc/30/15/75/132301575.db2.gz IJGGTUAAXOPOOD-UHFFFAOYSA-N 1 0 363.465 3.079 40 0 FGABRO COc1cccc(CN2CCN(C(=O)[C@@H](OC)c3ccccc3)[C@@H](C)C2)c1 ZINC000019575568 263374769 /nfs/dbraw/zinc/37/47/69/263374769.db2.gz KPXZAACUKXDTNO-UWJYYQICSA-N 1 0 368.477 3.116 40 0 FGABRO CC[NH+](CC)C[C@H](C)NC(=O)c1cnn2c1nc(C1CC1)cc2C(F)F ZINC000002780748 493819468 /nfs/dbraw/zinc/81/94/68/493819468.db2.gz PBHCBNJLPOLGON-NSHDSACASA-N 1 0 365.428 3.004 40 0 FGABRO Cc1cccc(N2CC[NH+](C[C@H](O)COc3ccccc3Cl)CC2)c1 ZINC000029589818 493845400 /nfs/dbraw/zinc/84/54/00/493845400.db2.gz BZTWUIFSUMJSOF-SFHVURJKSA-N 1 0 360.885 3.210 40 0 FGABRO O=C(CCCCC[NH+]1CCOCC1)Nc1ccc(Br)cc1 ZINC000071256252 494090137 /nfs/dbraw/zinc/09/01/37/494090137.db2.gz CHBHOOMBTKCXHO-UHFFFAOYSA-N 1 0 355.276 3.280 40 0 FGABRO C[NH+](C)[C@@H](CNC(=O)C1(c2ccccc2)CCOCC1)c1ccccc1 ZINC000038628579 494115903 /nfs/dbraw/zinc/11/59/03/494115903.db2.gz MGFFJCUWCJKARW-FQEVSTJZSA-N 1 0 352.478 3.154 40 0 FGABRO Cc1cc(C)n2nc(C3=CC[N@H+](C[C@@H](O)c4ccc(F)cc4)CC3)cc2n1 ZINC000072342774 494155173 /nfs/dbraw/zinc/15/51/73/494155173.db2.gz SOKUSVMZRBZFFL-HXUWFJFHSA-N 1 0 366.440 3.308 40 0 FGABRO Cc1ccccc1Cc1cccc(C2CC[NH+](CC(=O)N(C)C)CC2)n1 ZINC000072349518 494155882 /nfs/dbraw/zinc/15/58/82/494155882.db2.gz PVRFMFMVPQBMKA-UHFFFAOYSA-N 1 0 351.494 3.248 40 0 FGABRO O=c1cc([C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)nc(-c2cccnc2)[nH]1 ZINC000072393051 494163612 /nfs/dbraw/zinc/16/36/12/494163612.db2.gz OENVYWXVSGMIOP-QGZVFWFLSA-N 1 0 364.424 3.351 40 0 FGABRO Cc1ccc([C@@H](O)C[N@H+]2CC=C(c3cc4nc(C)cc(C)n4n3)CC2)cc1 ZINC000012233104 494215982 /nfs/dbraw/zinc/21/59/82/494215982.db2.gz PVGPVPRFOJAMST-NRFANRHFSA-N 1 0 362.477 3.477 40 0 FGABRO CC(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCC(C(F)(F)F)CC3)ccc21 ZINC000012291269 494219006 /nfs/dbraw/zinc/21/90/06/494219006.db2.gz WYRAZYJXYVWJNU-SFHVURJKSA-N 1 0 370.415 3.293 40 0 FGABRO COc1cccc(CC[NH2+]Cc2cc3cc(C)cc(C)c3[nH]c2=O)c1OC ZINC000013998850 494299273 /nfs/dbraw/zinc/29/92/73/494299273.db2.gz OELJLDOHADBOLW-UHFFFAOYSA-N 1 0 366.461 3.494 40 0 FGABRO COc1cccc(CC[NH2+]Cc2cc3cccc(C)c3[nH]c2=O)c1OC ZINC000013998802 494299371 /nfs/dbraw/zinc/29/93/71/494299371.db2.gz BJNZGJJSULNZHD-UHFFFAOYSA-N 1 0 352.434 3.186 40 0 FGABRO Cc1ccc(C2(C[NH+]3CCC(NC(=O)c4[nH]ncc4Cl)CC3)CC2)cc1 ZINC000019208386 494438008 /nfs/dbraw/zinc/43/80/08/494438008.db2.gz MUMUQDJXXSQOIZ-UHFFFAOYSA-N 1 0 372.900 3.298 40 0 FGABRO O=c1cc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)nc(-c2cccs2)[nH]1 ZINC000019344640 494441876 /nfs/dbraw/zinc/44/18/76/494441876.db2.gz CFQORKXCLMEGQU-OAHLLOKOSA-N 1 0 352.463 3.273 40 0 FGABRO c1cnc2c(c1)cccc2C[NH+]1CCC(c2nnc(-c3cnccn3)o2)CC1 ZINC000019347303 494442021 /nfs/dbraw/zinc/44/20/21/494442021.db2.gz SGAVEICGQOXHON-UHFFFAOYSA-N 1 0 372.432 3.454 40 0 FGABRO CCCN(CC1CC1)C(=O)Cn1c([C@@H]2CCC[NH2+]C2)cc2cccnc21 ZINC000019502459 494446591 /nfs/dbraw/zinc/44/65/91/494446591.db2.gz JOPJVPYLDPOYKA-GOSISDBHSA-N 1 0 354.498 3.152 40 0 FGABRO CC[NH+]1CCN([C@@H](c2nnnn2C2CCCCC2)c2ccc(F)cc2)CC1 ZINC000019528005 494447622 /nfs/dbraw/zinc/44/76/22/494447622.db2.gz YZEVFYRIRKYRDZ-LJQANCHMSA-N 1 0 372.492 3.044 40 0 FGABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)c(OC)c1)Cc1ccccn1 ZINC000019527123 494447959 /nfs/dbraw/zinc/44/79/59/494447959.db2.gz GDWAMTFGGPCSSO-LJQANCHMSA-N 1 0 355.482 3.282 40 0 FGABRO COc1ccc(CN2CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)c(OC)c1OC ZINC000019552811 494448672 /nfs/dbraw/zinc/44/86/72/494448672.db2.gz HXPUHVSTHVLUKG-ZIFCJYIRSA-N 1 0 372.509 3.042 40 0 FGABRO COc1ccc(CN2CC[NH+]([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)c(OC)c1OC ZINC000019552797 494449089 /nfs/dbraw/zinc/44/90/89/494449089.db2.gz HNQGOVXRLJJCDW-LZLYRXPVSA-N 1 0 360.498 3.019 40 0 FGABRO COc1ccc2c(c1)C(=O)NC[C@@H]([C@@H]1CCC[N@H+](Cc3ccccc3)C1)O2 ZINC000019562123 494449868 /nfs/dbraw/zinc/44/98/68/494449868.db2.gz WBKXQMHJBQCHOG-UTKZUKDTSA-N 1 0 366.461 3.098 40 0 FGABRO Cc1c2cc(F)ccc2[nH]c1C[N@H+]1C[C@@H]2c3nc(C)[nH]c(=O)c3CC[C@@H]2C1 ZINC000019565529 494449955 /nfs/dbraw/zinc/44/99/55/494449955.db2.gz XKBXTAFYUMABTO-DYVFJYSZSA-N 1 0 366.440 3.169 40 0 FGABRO O=C(C[NH+]1CCC(c2ccccc2)CC1)Nc1cccc(-c2nc[nH]n2)c1 ZINC000019661258 494453957 /nfs/dbraw/zinc/45/39/57/494453957.db2.gz QTDNLIUFQGNCAG-UHFFFAOYSA-N 1 0 361.449 3.290 40 0 FGABRO Cn1c2ccccc2nc1C[N@@H+]1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000019656989 494454274 /nfs/dbraw/zinc/45/42/74/494454274.db2.gz NFUOJOOYMLVJGR-QGZVFWFLSA-N 1 0 354.498 3.188 40 0 FGABRO Cn1cnc2ccc(NC(=O)CC3CC[NH+](Cc4ccccn4)CC3)cc21 ZINC000019748338 494458253 /nfs/dbraw/zinc/45/82/53/494458253.db2.gz VAXKRACEOOPNFH-UHFFFAOYSA-N 1 0 363.465 3.209 40 0 FGABRO O=S(=O)(Cc1ccc(F)cc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000025371001 494729909 /nfs/dbraw/zinc/72/99/09/494729909.db2.gz QOIHHVFNYWBHBT-UHFFFAOYSA-N 1 0 362.470 3.041 40 0 FGABRO COc1ccc(C[NH2+]C[C@H]2Cn3c(-c4ccc(F)cc4)cnc3CO2)cc1 ZINC000096112930 495002602 /nfs/dbraw/zinc/00/26/02/495002602.db2.gz KSPVMPYIIMQBIR-IBGZPJMESA-N 1 0 367.424 3.386 40 0 biogenic,in-vitro FGABRO CC(=O)Nc1ccc(C[NH2+]C[C@H]2COCc3nc4ccc(C)cc4n32)cc1 ZINC000096112832 495002687 /nfs/dbraw/zinc/00/26/87/495002687.db2.gz GQHIHGJUTJDKIB-SFHVURJKSA-N 1 0 364.449 3.164 40 0 biogenic,in-vitro FGABRO COc1ccccc1-c1cn2c(n1)CO[C@@H](C[NH2+]Cc1ccc(F)cc1)C2 ZINC000096112895 495002913 /nfs/dbraw/zinc/00/29/13/495002913.db2.gz LELYRTBJRWRPSQ-KRWDZBQOSA-N 1 0 367.424 3.386 40 0 biogenic,in-vitro FGABRO Cc1ccsc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCC[NH+](C)C ZINC000223210885 497033099 /nfs/dbraw/zinc/03/30/99/497033099.db2.gz PPLYKAGJGPYXLS-HOTGVXAUSA-N 1 0 360.552 3.376 40 0 FGABRO COc1ccc(OCC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224642485 497050998 /nfs/dbraw/zinc/05/09/98/497050998.db2.gz BJTVTDWHFOMBAX-UHFFFAOYSA-N 1 0 368.477 3.376 40 0 FGABRO COc1ccc(CC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1C ZINC000224801693 497052894 /nfs/dbraw/zinc/05/28/94/497052894.db2.gz PKXPVBYIJIQUQL-UHFFFAOYSA-N 1 0 352.478 3.458 40 0 FGABRO COc1cccc(C[N@@H+]2CC[C@H]3COC(=O)N3c3ccc(OC)cc3C2)c1 ZINC000225492105 497065119 /nfs/dbraw/zinc/06/51/19/497065119.db2.gz FPDOMCKSXVTCSH-KRWDZBQOSA-N 1 0 368.433 3.435 40 0 biogenic,in-vitro FGABRO c1cc2n(c1)[C@H](CCOCC1CCOCC1)C[N@H+](CC1CCOCC1)C2 ZINC000253478512 497335006 /nfs/dbraw/zinc/33/50/06/497335006.db2.gz LLVPDFPJBNFVCC-OAQYLSRUSA-N 1 0 362.514 3.105 40 0 FGABRO c1ccc(OCC[C@@H]2CCOC23CC[NH+](Cc2cccnc2)CC3)nc1 ZINC000253602302 497345964 /nfs/dbraw/zinc/34/59/64/497345964.db2.gz MZKQQZIVYCMPRP-LJQANCHMSA-N 1 0 353.466 3.317 40 0 FGABRO C[NH+](CCOC(=O)NC1CCCCC1)CCOC(=O)NC1CCCCC1 ZINC000255188967 497360944 /nfs/dbraw/zinc/36/09/44/497360944.db2.gz MWCRWBCULZUOCH-UHFFFAOYSA-N 1 0 369.506 3.036 40 0 FGABRO COc1cccc(Cc2cnc([C@H]3CC[N@H+](Cc4cnccn4)C3)o2)c1 ZINC000257218910 497392142 /nfs/dbraw/zinc/39/21/42/497392142.db2.gz DEVCEQOCGCQVOT-INIZCTEOSA-N 1 0 350.422 3.054 40 0 FGABRO Cc1c[nH]c(-c2cncc(C[C@@H]3CCCN(Cc4cscn4)C3)n2)n1 ZINC000257223966 497392438 /nfs/dbraw/zinc/39/24/38/497392438.db2.gz DZSCPIRVPSQSAM-AWEZNQCLSA-N 1 0 354.483 3.086 40 0 FGABRO C[C@@]12C[C@H]3[C@@H](Cc4ccccc4)[NH2+][C@@H]1CCC[C@@H]2N3C(=O)c1cnco1 ZINC000257231439 497393664 /nfs/dbraw/zinc/39/36/64/497393664.db2.gz GGRAHMYLUNGDLE-KVNUXVDHSA-N 1 0 351.450 3.031 40 0 FGABRO Cc1ccsc1C[N@H+]1CCC[C@](C)(c2nc3c(c(C)n2)CC(=O)N3C)C1 ZINC000257232231 497393902 /nfs/dbraw/zinc/39/39/02/497393902.db2.gz GJXMRONOBKEOBF-FQEVSTJZSA-N 1 0 370.522 3.228 40 0 FGABRO C[NH+](C)Cc1ccnc([C@H]2CCCN2CC2=Cc3ccccc3OC2)n1 ZINC000257245764 497394675 /nfs/dbraw/zinc/39/46/75/497394675.db2.gz IQZHJYBWIHPNEV-LJQANCHMSA-N 1 0 350.466 3.151 40 0 FGABRO Cn1cncc1-c1cncc(C2CC[NH+](Cc3ccccc3F)CC2)n1 ZINC000257271494 497397450 /nfs/dbraw/zinc/39/74/50/497397450.db2.gz MYOQTFGHCZNTTO-UHFFFAOYSA-N 1 0 351.429 3.396 40 0 FGABRO Cc1cccc(Nc2nccnc2[C@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)n1 ZINC000257287004 497399535 /nfs/dbraw/zinc/39/95/35/497399535.db2.gz PNZUXHJEIBBVLL-KRWDZBQOSA-N 1 0 363.469 3.037 40 0 FGABRO C[C@@]1(c2ncc(Cc3cccc(F)c3)o2)CCCN1C(=O)C[NH+]1CCCC1 ZINC000257324746 497403744 /nfs/dbraw/zinc/40/37/44/497403744.db2.gz WPZDBWGKFNOBOI-NRFANRHFSA-N 1 0 371.456 3.338 40 0 FGABRO COc1ccc(NC(=S)NCCC[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000260737487 497405947 /nfs/dbraw/zinc/40/59/47/497405947.db2.gz KTDZVZUJZBONQG-AWEZNQCLSA-N 1 0 351.516 3.112 40 0 FGABRO CC(C)n1cnc([C@H]2C[N@@H+](C3CCC3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306129319 498738905 /nfs/dbraw/zinc/73/89/05/498738905.db2.gz IAMHDMGPRYUSLX-WIYYLYMNSA-N 1 0 356.514 3.044 40 0 FGABRO Cc1ccc(C(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c(F)c1Cl ZINC000333237243 498947979 /nfs/dbraw/zinc/94/79/79/498947979.db2.gz DFBCLBVHVAOONS-UKRRQHHQSA-N 1 0 354.853 3.146 40 0 FGABRO Cc1ccc(S(=O)(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000408613036 499593017 /nfs/dbraw/zinc/59/30/17/499593017.db2.gz WPNTVFWEUGEPTG-UHFFFAOYSA-N 1 0 370.518 3.206 40 0 FGABRO C[C@@]1(O)CC[N@H+](CC2CC2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 ZINC000604383322 506809350 /nfs/dbraw/zinc/80/93/50/506809350.db2.gz WAEITXBTIFRCSE-JAXLGGSGSA-N 1 0 356.510 3.269 40 0 biogenic,in-vitro FGABRO COC[C@@H]1C[N@H+](Cc2cccs2)CC12CCN(C(=O)C(C)(C)C)CC2 ZINC000585102744 507568348 /nfs/dbraw/zinc/56/83/48/507568348.db2.gz CVBKMZMKRCWVBR-INIZCTEOSA-N 1 0 364.555 3.481 40 0 FGABRO COc1ccc(C[NH+]2CC3(C2)C[C@@H](OCC2CCOCC2)CS3)cc1 ZINC000585103929 507570624 /nfs/dbraw/zinc/57/06/24/507570624.db2.gz DWHKGEPNVUBQPY-LJQANCHMSA-N 1 0 363.523 3.198 40 0 FGABRO Cc1ccsc1C[N@H+]1CC[C@@H](Cc2cnc(-c3nccn3C)cn2)C1 ZINC000585182453 507579645 /nfs/dbraw/zinc/57/96/45/507579645.db2.gz WVDONXQFJJNDGP-HNNXBMFYSA-N 1 0 353.495 3.312 40 0 FGABRO COc1ccccc1C[N@@H+]1C[C@@H](c2ccccc2)[C@]2(C1)CCCC(=O)N2 ZINC000585260832 507579729 /nfs/dbraw/zinc/57/97/29/507579729.db2.gz IMUCGBIBJZNRCP-SIKLNZKXSA-N 1 0 350.462 3.334 40 0 FGABRO C[N@@H+]1CCN(Cc2cncs2)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000585261156 507580753 /nfs/dbraw/zinc/58/07/53/507580753.db2.gz UQDWREQTYJBZJL-INIZCTEOSA-N 1 0 352.507 3.298 40 0 FGABRO CCCn1cc(C[N@@H+]2CCC[C@@](O)(COc3ccc(C)c(C)c3)C2)cn1 ZINC000585273659 507582471 /nfs/dbraw/zinc/58/24/71/507582471.db2.gz XKIUFZRQGQZZBY-NRFANRHFSA-N 1 0 357.498 3.316 40 0 FGABRO Cc1ccc(OC[C@H](O)C[NH2+]Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 ZINC000585284979 507584943 /nfs/dbraw/zinc/58/49/43/507584943.db2.gz MRKFDYQQWHHOIB-GOSISDBHSA-N 1 0 366.461 3.395 40 0 FGABRO C[N@H+](CCOc1ccccc1)[C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585289908 507585609 /nfs/dbraw/zinc/58/56/09/507585609.db2.gz XDZLGCIHOFEADO-PWRODBHTSA-N 1 0 359.441 3.497 40 0 FGABRO COc1ccc(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000078578668 523712920 /nfs/dbraw/zinc/71/29/20/523712920.db2.gz VQIMPJBAYMPGMN-UHFFFAOYSA-N 1 0 354.450 3.098 40 0 FGABRO CCc1cnc(N2CCC3(CC([N@H+](C)Cc4ccccn4)C3)CC2)nc1 ZINC000096159265 536056356 /nfs/dbraw/zinc/05/63/56/536056356.db2.gz AOXOKJCSVUIMEC-UHFFFAOYSA-N 1 0 351.498 3.315 40 0 FGABRO OCC[C@@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000624289070 571145675 /nfs/dbraw/zinc/14/56/75/571145675.db2.gz DBOAYYGZVBRDJX-QZTJIDSGSA-N 1 0 373.324 3.260 40 0 FGABRO Cc1ncc(-c2cc(CC3CC[NH+](C4CCOCC4)CC3)ccn2)n1C ZINC000257342734 210004183 /nfs/dbraw/zinc/00/41/83/210004183.db2.gz ZPXUNERTZXBNDZ-UHFFFAOYSA-N 1 0 354.498 3.224 40 0 FGABRO O=C(C[NH+]1CCCC1)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1 ZINC000257306407 209992804 /nfs/dbraw/zinc/99/28/04/209992804.db2.gz SUENDDJEXUQCGX-SFHVURJKSA-N 1 0 353.466 3.067 40 0 FGABRO C[C@H](Sc1nc(N)cc(N)n1)C(=O)N(c1ccccc1)c1ccccc1 ZINC000000793617 209376341 /nfs/dbraw/zinc/37/63/41/209376341.db2.gz CGKYPDOLMYHUJC-ZDUSSCGKSA-N 1 0 365.462 3.487 40 0 FGABRO Cc1cccnc1C[NH+]1CCC2(CCCN(Cc3ccncc3)C2=O)CC1 ZINC000108527886 209288896 /nfs/dbraw/zinc/28/88/96/209288896.db2.gz JSAAQHZSRZWVLT-UHFFFAOYSA-N 1 0 364.493 3.190 40 0 FGABRO COCC[N@@H+]1C[C@@H]2CN(Cc3cccc(C)n3)CC[C@@]2(c2ccccc2)C1 ZINC000096251766 209144000 /nfs/dbraw/zinc/14/40/00/209144000.db2.gz KTQCJPQBBIUQQF-GMAHTHKFSA-N 1 0 365.521 3.112 40 0 FGABRO COc1ccc(C[C@H]2C[N@@H+](Cc3cccnc3OC)CC[C@H]2OC)cc1 ZINC000096209450 209135660 /nfs/dbraw/zinc/13/56/60/209135660.db2.gz SEMGATBJGHOXSN-AZUAARDMSA-N 1 0 356.466 3.178 40 0 FGABRO O=C(Nc1ccccc1)N1CC[C@]2(C1)CCC[N@H+](CC1CCOCC1)C2 ZINC000096215419 209135762 /nfs/dbraw/zinc/13/57/62/209135762.db2.gz JFQIAVVEUHAHRS-OAQYLSRUSA-N 1 0 357.498 3.433 40 0 FGABRO CCc1ccc(C[N@@H+]2CC[C@H]3OCC[C@@]3(CCNC(=O)C(C)C)C2)cc1 ZINC000096209753 209136220 /nfs/dbraw/zinc/13/62/20/209136220.db2.gz NGAZVHGJNPUSGC-IRLDBZIGSA-N 1 0 358.526 3.392 40 0 FGABRO Cn1c(C(=O)N2CC[C@H]([NH+](C)C)C2)cc2c1c1ccccc1n2CC1CC1 ZINC000096146501 209122297 /nfs/dbraw/zinc/12/22/97/209122297.db2.gz VDHMWIYSFHNSKA-INIZCTEOSA-N 1 0 364.493 3.319 40 0 FGABRO Cc1ccc(C[N@@H+]2CCOC[C@]3(CCN(Cc4nccs4)C3)C2)s1 ZINC000096062426 209106369 /nfs/dbraw/zinc/10/63/69/209106369.db2.gz UIURYFJAWBQFKF-SFHVURJKSA-N 1 0 363.552 3.238 40 0 FGABRO CCOC(=O)[C@@H]1C(c2ccccc2Cl)[C@H](C(=O)OCC)[C@@H](C)[NH2+][C@@H]1C ZINC000005328094 207094675 /nfs/dbraw/zinc/09/46/75/207094675.db2.gz NEWAJILYNWSANI-WVKAWXBWSA-N 1 0 367.873 3.162 40 0 FGABRO CC[NH+](CC)CCOC(=O)[C@](O)(c1ccccc1)c1ccc(C)cc1C ZINC000005572745 207106761 /nfs/dbraw/zinc/10/67/61/207106761.db2.gz SNKBOBDWDBNOPR-QFIPXVFZSA-N 1 0 355.478 3.424 40 0 FGABRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)NC2CCCCC2)cc1 ZINC000006462769 207140608 /nfs/dbraw/zinc/14/06/08/207140608.db2.gz QOYGAZQRKMGGOQ-UHFFFAOYSA-N 1 0 360.502 3.212 40 0 FGABRO Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000006787497 207164789 /nfs/dbraw/zinc/16/47/89/207164789.db2.gz GOKFYDFNDAVBLV-NSHDSACASA-N 1 0 360.424 3.197 40 0 FGABRO COc1ccc(C[N@H+](C)C[C@@H](O)COCC2=CC[C@H]3C[C@@H]2C3(C)C)cc1 ZINC000007063393 207185340 /nfs/dbraw/zinc/18/53/40/207185340.db2.gz LXVDMUCOTJZXFF-ZVDOUQERSA-N 1 0 359.510 3.497 40 0 FGABRO COc1cc(C[N@@H+]2CCC[C@@H](n3c4ccccc4oc3=O)C2)cc(OC)c1 ZINC000012119161 207339543 /nfs/dbraw/zinc/33/95/43/207339543.db2.gz IOFAJYXRMKMZSH-MRXNPFEDSA-N 1 0 368.433 3.449 40 0 FGABRO COc1cccc(C[NH+]2CCC(O)(Cn3ccc4ccncc43)CC2)c1 ZINC000012222682 207349602 /nfs/dbraw/zinc/34/96/02/207349602.db2.gz DFUGMWUAUJYISZ-UHFFFAOYSA-N 1 0 351.450 3.072 40 0 FGABRO O[C@]1(c2ccccc2)CC[N@H+](Cc2ccccc2OC[C@@H]2CCCO2)C1 ZINC000012241351 207351564 /nfs/dbraw/zinc/35/15/64/207351564.db2.gz NENIBONWCBTBBS-RBBKRZOGSA-N 1 0 353.462 3.338 40 0 FGABRO COc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@@H](O)c3ccccc3)CC1)O2 ZINC000012293319 207353341 /nfs/dbraw/zinc/35/33/41/207353341.db2.gz WRNMOFLGJASCSV-VQTJNVASSA-N 1 0 369.461 3.079 40 0 FGABRO COc1cccc([C@@H]2C[NH2+]C[C@H]2c2cc(=O)[nH]c(N3CCCCCC3)n2)c1 ZINC000012329869 207363633 /nfs/dbraw/zinc/36/36/33/207363633.db2.gz BUUXUSDQGFKFCL-ZWKOTPCHSA-N 1 0 368.481 3.042 40 0 FGABRO Cc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1 ZINC000012329424 207363696 /nfs/dbraw/zinc/36/36/96/207363696.db2.gz JJEXCFPEDNMFBP-VQTJNVASSA-N 1 0 353.462 3.379 40 0 FGABRO Cc1cccc(NC(=O)c2ccc(CSc3nc(N)cc(N)[nH+]3)cc2)c1 ZINC000036646438 208169291 /nfs/dbraw/zinc/16/92/91/208169291.db2.gz HWKOCAYIQNXLMB-UHFFFAOYSA-N 1 0 365.462 3.494 40 0 FGABRO CC(C)[C@H]([NH3+])C(=O)N(C(C)C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000079391473 208247728 /nfs/dbraw/zinc/24/77/28/208247728.db2.gz IBJIRJWFTKLTPW-GPANFISMSA-N 1 0 355.523 3.043 40 0 FGABRO COc1ccc(C[N@@H+]2C[C@@H](OCc3ccccn3)[C@@H]3OCCC[C@@H]32)cc1 ZINC000096058151 209105217 /nfs/dbraw/zinc/10/52/17/209105217.db2.gz VWUAEVUQHBUERG-PWRODBHTSA-N 1 0 354.450 3.039 40 0 FGABRO Cc1nc(CO[C@@H]2C[N@H+](Cc3ccsc3)[C@@H]3CCCO[C@H]23)cs1 ZINC000096058120 209105095 /nfs/dbraw/zinc/10/50/95/209105095.db2.gz KQGHZNLBPFWVFM-ZACQAIPSSA-N 1 0 350.509 3.462 40 0 FGABRO FC1(F)CC[N@H+](Cc2cccs2)C[C@]12CCN(c1ncccn1)C2 ZINC000096051164 209103350 /nfs/dbraw/zinc/10/33/50/209103350.db2.gz BLPHMHGAGUSMEV-INIZCTEOSA-N 1 0 350.438 3.276 40 0 FGABRO FC1(F)CC[N@H+](CC2CCOCC2)C[C@]12CCN(c1ccccn1)C2 ZINC000096051161 209101803 /nfs/dbraw/zinc/10/18/03/209101803.db2.gz MJPXJLUGIYQJES-SFHVURJKSA-N 1 0 351.441 3.046 40 0 FGABRO CNC(=O)C[C@H]1CC2(CC[NH+](Cc3nccs3)CC2)c2ccccc21 ZINC000096052572 209101680 /nfs/dbraw/zinc/10/16/80/209101680.db2.gz NPRGOFLZLVGJME-HNNXBMFYSA-N 1 0 355.507 3.300 40 0 FGABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)s1 ZINC000096048623 209099941 /nfs/dbraw/zinc/09/99/41/209099941.db2.gz HRQGMOZROLJSAI-HXUWFJFHSA-N 1 0 355.507 3.466 40 0 FGABRO COc1ccc(C[N@@H+]2CCC[C@]3(C[C@@H](Nc4ccc(C)nn4)CO3)C2)cc1 ZINC000096048468 209099319 /nfs/dbraw/zinc/09/93/19/209099319.db2.gz HUUGNFFMTNKIER-NQIIRXRSSA-N 1 0 368.481 3.029 40 0 FGABRO CCc1cc(N2CCc3cc(C(=O)OC)ccc3C2)nc(N[C@H](C)CC)[nH+]1 ZINC000328966987 132371948 /nfs/dbraw/zinc/37/19/48/132371948.db2.gz CQDDNOUETRWWHZ-CQSZACIVSA-N 1 0 368.481 3.021 40 0 FGABRO CC(C)c1cc(N2CCc3cc([C@@H](C)O)ccc3C2)nc(NC2CC2)[nH+]1 ZINC000329031281 132372830 /nfs/dbraw/zinc/37/28/30/132372830.db2.gz QIGGAPZRRHHZQI-CQSZACIVSA-N 1 0 352.482 3.212 40 0 FGABRO Cc1ccccc1N1CC[NH+](C[C@@H](O)c2ccc3c(c2)C[C@@H](C)O3)CC1 ZINC000057823067 136130174 /nfs/dbraw/zinc/13/01/74/136130174.db2.gz IMNOYRGGLCBYRV-DYESRHJHSA-N 1 0 352.478 3.174 40 0 FGABRO Cc1[nH]c2cc(C)ccc2c1[C@H](O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000019219639 136152153 /nfs/dbraw/zinc/15/21/53/136152153.db2.gz UBMVYDDGXZAUQU-LJQANCHMSA-N 1 0 350.466 3.035 40 0 FGABRO C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1c(F)cc(Br)cc1F ZINC000003893514 493859174 /nfs/dbraw/zinc/85/91/74/493859174.db2.gz JUCCUWNVDDWOLY-PWSUYJOCSA-N 1 0 364.230 3.341 40 0 FGABRO Cc1cccc(OCC(=O)Nc2ccccc2N2CC[NH+](C)CC2)c1C ZINC000007105579 494000678 /nfs/dbraw/zinc/00/06/78/494000678.db2.gz KSMPGLLWJRCNOZ-UHFFFAOYSA-N 1 0 353.466 3.073 40 0 FGABRO CCOc1cc(C[NH2+]C2CCCCCC2)cc(Cl)c1OCC(N)=O ZINC000008253749 494079477 /nfs/dbraw/zinc/07/94/77/494079477.db2.gz DAXOBBWXBOMUGV-UHFFFAOYSA-N 1 0 354.878 3.415 40 0 FGABRO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCN(c2ccccc2)CC1 ZINC000038835964 494119160 /nfs/dbraw/zinc/11/91/60/494119160.db2.gz MQHKVLNBNAXHLJ-OAQYLSRUSA-N 1 0 363.505 3.247 40 0 FGABRO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)COCCOC23CC4CC(CC(C4)C2)C3)C1 ZINC000072238835 494146452 /nfs/dbraw/zinc/14/64/52/494146452.db2.gz LDSVOMWXCKXKQC-OWFIIGRXSA-N 1 0 365.558 3.327 40 0 FGABRO Cc1cc2nc([C@H]3CCC[N@H+](Cc4cc(F)ccc4F)C3)cc(N)n2n1 ZINC000072339788 494153624 /nfs/dbraw/zinc/15/36/24/494153624.db2.gz QYVLARWLGQRONQ-ZDUSSCGKSA-N 1 0 357.408 3.278 40 0 FGABRO NC(=O)c1cccc(-c2nccnc2[C@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC000072358327 494157158 /nfs/dbraw/zinc/15/71/58/494157158.db2.gz JSIVTGAPDOOQIR-KRWDZBQOSA-N 1 0 350.466 3.365 40 0 FGABRO O=C(C[N@H+]1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1)N1CCCC1 ZINC000072358545 494157621 /nfs/dbraw/zinc/15/76/21/494157621.db2.gz CYHQKADEFLIKSU-QGZVFWFLSA-N 1 0 368.456 3.085 40 0 FGABRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccnc(Nc3cncnc3)n2)cc1 ZINC000072377448 494159568 /nfs/dbraw/zinc/15/95/68/494159568.db2.gz RILKHPFTBLNJIY-LJQANCHMSA-N 1 0 362.437 3.356 40 0 FGABRO O=c1cc([C@H]2CCC[N@H+](Cc3cccs3)C2)nc(-c2ccccn2)[nH]1 ZINC000072393193 494163162 /nfs/dbraw/zinc/16/31/62/494163162.db2.gz MJSDRHDSOXQFQK-AWEZNQCLSA-N 1 0 352.463 3.273 40 0 FGABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)Cc2ccccc2Cl)C1 ZINC000013674999 494292277 /nfs/dbraw/zinc/29/22/77/494292277.db2.gz UDZUYLAPGIFGQW-GASCZTMLSA-N 1 0 358.935 3.127 40 0 FGABRO C[C@@H]1CCC[N@H+](CC(C)(C)NC(=O)c2cccc(N3CCCC3=O)c2)C1 ZINC000013996120 494298739 /nfs/dbraw/zinc/29/87/39/494298739.db2.gz XYSOAJLIOSPWJA-MRXNPFEDSA-N 1 0 357.498 3.054 40 0 FGABRO O=C(CCc1[nH]nc2c1CCCC2)N1CCCC[C@@H]1C[NH+]1CCCCCC1 ZINC000019014945 494434799 /nfs/dbraw/zinc/43/47/99/494434799.db2.gz HWYXFXQODGEJLV-GOSISDBHSA-N 1 0 372.557 3.478 40 0 FGABRO Cc1ccc(O[C@H](C)C(=O)N(C[C@H]2CCCO2)C2CC[NH+](C)CC2)cc1C ZINC000019214101 494437657 /nfs/dbraw/zinc/43/76/57/494437657.db2.gz BEHWTJNHLGZWKZ-WIYYLYMNSA-N 1 0 374.525 3.173 40 0 FGABRO Cc1cc(C)n(C[C@@H](O)C[N@H+](Cc2ccco2)Cc2cccc(C)c2)n1 ZINC000019234933 494439080 /nfs/dbraw/zinc/43/90/80/494439080.db2.gz WURBKRLTTFIDPC-FQEVSTJZSA-N 1 0 353.466 3.465 40 0 FGABRO OCCOc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)cc1 ZINC000019293622 494440893 /nfs/dbraw/zinc/44/08/93/494440893.db2.gz YBTFVTGJMOMHNH-RLAPIPATSA-N 1 0 371.452 3.211 40 0 FGABRO O=c1cc([C@H]2CCC[N@H+](Cc3cccnc3)C2)nc(-c2cccs2)[nH]1 ZINC000019339062 494441698 /nfs/dbraw/zinc/44/16/98/494441698.db2.gz MEIALXYGMXAQBS-HNNXBMFYSA-N 1 0 352.463 3.273 40 0 FGABRO O=C(NC1CC[NH+](CC2(c3ccccc3F)CCCC2)CC1)c1ccn[nH]1 ZINC000019347919 494442508 /nfs/dbraw/zinc/44/25/08/494442508.db2.gz LLAGZMCABMXHPH-UHFFFAOYSA-N 1 0 370.472 3.255 40 0 FGABRO OCC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(OCc2ccccc2)c1 ZINC000019372720 494443888 /nfs/dbraw/zinc/44/38/88/494443888.db2.gz GAGPURKYKQUPBC-VXKWHMMOSA-N 1 0 366.505 3.297 40 0 FGABRO COc1cc2[nH]c(C(=O)N[C@@H](C)C[NH+]3CCCCCC3)cc2c(OC)c1 ZINC000019456147 494444656 /nfs/dbraw/zinc/44/46/56/494444656.db2.gz BHAZPSGCCAVKKW-AWEZNQCLSA-N 1 0 359.470 3.179 40 0 FGABRO C[C@@H]1CCCN(c2ncc(CN3CCC([N@@H+]4CCC[C@@H](C)C4)CC3)cn2)C1 ZINC000019496653 494446020 /nfs/dbraw/zinc/44/60/20/494446020.db2.gz BHMOFUVINGKZKI-RTBURBONSA-N 1 0 371.573 3.409 40 0 FGABRO C[C@H]1CCC[N@@H+](C2CCN(Cc3cnc(N4CCCCC4)nc3)CC2)C1 ZINC000019496489 494446554 /nfs/dbraw/zinc/44/65/54/494446554.db2.gz TYSKNXHEJJJTLP-SFHVURJKSA-N 1 0 357.546 3.163 40 0 FGABRO CCc1nccn1C[C@H](C)C(=O)N1CCCC[C@H]1C[NH+]1CCCCCC1 ZINC000019523556 494447417 /nfs/dbraw/zinc/44/74/17/494447417.db2.gz XYRNGZFQEOGKTI-OALUTQOASA-N 1 0 360.546 3.339 40 0 FGABRO CCOc1ccc(CN2CCc3nc([C@H]4CCC[N@H+](C)C4)ncc3C2)cc1 ZINC000019533366 494447647 /nfs/dbraw/zinc/44/76/47/494447647.db2.gz CZLCWJHWNNONNS-SFHVURJKSA-N 1 0 366.509 3.243 40 0 FGABRO CCOc1ccc(C[N@@H+]2CCC[C@H](c3nc(C)c(C)c(=O)[nH]3)C2)cc1OC ZINC000019533816 494449117 /nfs/dbraw/zinc/44/91/17/494449117.db2.gz QBDMHTTZECGOOW-KRWDZBQOSA-N 1 0 371.481 3.174 40 0 FGABRO COc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1Cn1nc(C)cc1C ZINC000019574413 494449783 /nfs/dbraw/zinc/44/97/83/494449783.db2.gz JRNXFJBOBMAFPX-WIYYLYMNSA-N 1 0 368.525 3.225 40 0 FGABRO C[NH+](C)CC[C@@H](NC(=O)c1cn2cc(Cl)ccc2n1)c1ccccc1 ZINC000019716753 494457251 /nfs/dbraw/zinc/45/72/51/494457251.db2.gz UYDKZFZIHIXRRQ-MRXNPFEDSA-N 1 0 356.857 3.411 40 0 FGABRO Cc1nccn1CC1CC[NH+](Cc2cnc(N3CCC[C@@H](C)C3)nc2)CC1 ZINC000019715674 494457449 /nfs/dbraw/zinc/45/74/49/494457449.db2.gz XNZULNFLLWDXHL-QGZVFWFLSA-N 1 0 368.529 3.130 40 0 FGABRO Cc1ccc(OCC[NH+](C)C)c(NC(=O)c2cn3cccc(C)c3n2)c1 ZINC000019718773 494457666 /nfs/dbraw/zinc/45/76/66/494457666.db2.gz RAJJZQYWONUZOT-UHFFFAOYSA-N 1 0 352.438 3.144 40 0 FGABRO COc1cc(C=O)ccc1OCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000019798126 494461933 /nfs/dbraw/zinc/46/19/33/494461933.db2.gz SNJOUWNSNDZQIQ-UHFFFAOYSA-N 1 0 368.477 3.094 40 0 FGABRO COc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3cccc4ccccc43)C2=O)cc1 ZINC000075252324 494713548 /nfs/dbraw/zinc/71/35/48/494713548.db2.gz SMHLSKKCDRMLRI-HXUWFJFHSA-N 1 0 360.413 3.270 40 0 FGABRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2OC(=O)[C@](O)(c1ccccc1)C1CCCC1 ZINC000146990127 495571145 /nfs/dbraw/zinc/57/11/45/495571145.db2.gz ROZOEEGFKDFEFP-AXRVMRSRSA-N 1 0 357.494 3.338 40 0 FGABRO COC[C@@H]1C[N@H+](Cc2ccsc2)CC12CCN(C(=O)C1CC=CC1)CC2 ZINC000247818564 496918846 /nfs/dbraw/zinc/91/88/46/496918846.db2.gz CJORNUZJHBWRQL-IBGZPJMESA-N 1 0 374.550 3.401 40 0 FGABRO C[NH+](C)CC[C@@H]1CN(C(=O)CCc2ccc(Cl)cc2)Cc2cncn21 ZINC000248091061 496953929 /nfs/dbraw/zinc/95/39/29/496953929.db2.gz FPRDNLHDQGVFPD-QGZVFWFLSA-N 1 0 360.889 3.004 40 0 FGABRO C[NH+](C)CC[C@@H]1CN(C(=O)c2csc3ccccc23)Cc2cncn21 ZINC000248137376 496962105 /nfs/dbraw/zinc/96/21/05/496962105.db2.gz RZZTYRKDWQEYQD-CQSZACIVSA-N 1 0 354.479 3.247 40 0 FGABRO CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c1C ZINC000223263457 497034085 /nfs/dbraw/zinc/03/40/85/497034085.db2.gz QMHSLANSMXULGU-RTBURBONSA-N 1 0 371.554 3.054 40 0 FGABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Cl)s1 ZINC000223253509 497034742 /nfs/dbraw/zinc/03/47/42/497034742.db2.gz UZBMNNJJKJTRCZ-LSDHHAIUSA-N 1 0 366.943 3.331 40 0 FGABRO CC1CC[NH+](CCCNC(=S)Nc2ccc(N3CCCC3=O)cc2)CC1 ZINC000225437046 497062708 /nfs/dbraw/zinc/06/27/08/497062708.db2.gz ZUZPQJNRVXOUPN-UHFFFAOYSA-N 1 0 374.554 3.222 40 0 FGABRO C[NH+](C)CCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cn1 ZINC000225931154 497079537 /nfs/dbraw/zinc/07/95/37/497079537.db2.gz KJBFFPMJJPCTKK-UHFFFAOYSA-N 1 0 353.466 3.473 40 0 FGABRO COC1CCN(C(=O)c2ncccc2-c2cccc(C[NH+](C)C)c2)CC1 ZINC000257212819 497390441 /nfs/dbraw/zinc/39/04/41/497390441.db2.gz CFBVJXWYPMQBLK-UHFFFAOYSA-N 1 0 353.466 3.061 40 0 FGABRO O=C(Nc1nccs1)c1cccc([C@@H]2CCC[N@@H+]2CC2CCOCC2)n1 ZINC000257224072 497391716 /nfs/dbraw/zinc/39/17/16/497391716.db2.gz FAFBHTKRGLDNCG-KRWDZBQOSA-N 1 0 372.494 3.354 40 0 FGABRO CCNc1nc(C)c(C(=O)N2CCCC[C@@H]3[N@H+](C)CCC[C@@]32C)s1 ZINC000257219627 497391824 /nfs/dbraw/zinc/39/18/24/497391824.db2.gz DHMBZJPOSRXVIE-KSSFIOAISA-N 1 0 350.532 3.362 40 0 FGABRO CCn1cc(C[N@@H+]2CC[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)cn1 ZINC000257250837 497394817 /nfs/dbraw/zinc/39/48/17/497394817.db2.gz JOEYZELJKJNLRZ-SFTDATJTSA-N 1 0 355.482 3.243 40 0 FGABRO O=C1c2ccccc2CCN1C1CC[NH+](Cc2cnc3ccccc3n2)CC1 ZINC000257254628 497394935 /nfs/dbraw/zinc/39/49/35/497394935.db2.gz KEASGFIMXHEIOM-UHFFFAOYSA-N 1 0 372.472 3.293 40 0 FGABRO C[NH+](C)Cc1cc([C@@H]2CCCN2C(=O)COc2ccc(F)cc2)ccn1 ZINC000257267475 497396212 /nfs/dbraw/zinc/39/62/12/497396212.db2.gz MHLXOBHFAGJDRQ-IBGZPJMESA-N 1 0 357.429 3.025 40 0 FGABRO C[C@@]12C[C@H]3[C@H](Cc4ccccc4)[NH2+][C@@H]1CCC[C@@H]2N3C(=O)c1cccnc1 ZINC000257273868 497397497 /nfs/dbraw/zinc/39/74/97/497397497.db2.gz NINXWLYXGXAIQA-KHYDEXNFSA-N 1 0 361.489 3.438 40 0 FGABRO Cc1nc(Nc2ccccn2)cc([C@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)n1 ZINC000257280300 497397568 /nfs/dbraw/zinc/39/75/68/497397568.db2.gz OKIORLFZKPSHOI-KRWDZBQOSA-N 1 0 363.469 3.037 40 0 FGABRO CO[C@H]1CN(CC(=O)Nc2cccc3ccccc32)CC[C@]12CCCO2 ZINC000257273996 497398133 /nfs/dbraw/zinc/39/81/33/497398133.db2.gz NJBWGBOYSIFWPR-PZJWPPBQSA-N 1 0 354.450 3.048 40 0 FGABRO C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCC[N@@H+]3C[C@H]3CCOC3)cc2N1 ZINC000257294176 497399215 /nfs/dbraw/zinc/39/92/15/497399215.db2.gz QSXDIHZYCFTLOZ-RJZRQDKASA-N 1 0 358.408 3.364 40 0 FGABRO Cc1ncsc1-c1ncccc1C(=O)N1CCC[C@H]2[NH2+]CCC[C@@]21C ZINC000257289959 497399833 /nfs/dbraw/zinc/39/98/33/497399833.db2.gz QAXNKNWHGCQBRE-BEFAXECRSA-N 1 0 356.495 3.260 40 0 FGABRO C[NH+](C)CC(=O)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257307206 497400603 /nfs/dbraw/zinc/40/06/03/497400603.db2.gz SXQSGPICVNVYLU-OAHLLOKOSA-N 1 0 361.873 3.186 40 0 FGABRO CC(C)[N@H+](Cc1ccccc1)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1O ZINC000257297721 497400883 /nfs/dbraw/zinc/40/08/83/497400883.db2.gz RIOXUNPPENBUPW-SFTDATJTSA-N 1 0 368.477 3.279 40 0 FGABRO c1cncc(-c2ccc3nc([C@@H]4CC[N@@H+](Cc5ccncc5)C4)nn3c2)c1 ZINC000306134836 498741067 /nfs/dbraw/zinc/74/10/67/498741067.db2.gz NZJWUXJZYWXFAX-LJQANCHMSA-N 1 0 356.433 3.176 40 0 FGABRO c1csc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4ccccn4)C2)OC3)c1 ZINC000306135588 498741093 /nfs/dbraw/zinc/74/10/93/498741093.db2.gz OVGUWQZTWAXCAR-IBGZPJMESA-N 1 0 352.463 3.182 40 0 FGABRO Cc1ccc(CN2CCO[C@@]3(CCCC[C@@H]3[NH2+]Cc3cccnc3)C2)o1 ZINC000306140309 498741205 /nfs/dbraw/zinc/74/12/05/498741205.db2.gz UPLGBIPQGMCRFW-SFTDATJTSA-N 1 0 355.482 3.286 40 0 FGABRO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000333330154 498981163 /nfs/dbraw/zinc/98/11/63/498981163.db2.gz WBOVMJQNKKNZCX-LBTNJELSSA-N 1 0 356.445 3.095 40 0 FGABRO O=C(Nc1nc2c(s1)CCCCCC2)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000333816159 499081732 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3.143 40 0 FGABRO C=CC(=O)N1CCC[C@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)[nH+]2)C1 ZINC000585292802 507586953 /nfs/dbraw/zinc/58/69/53/507586953.db2.gz SKJXTPGMEOUOQX-INIZCTEOSA-N 1 0 351.454 3.432 40 0 FGABRO C[NH+]1CCN(c2c3c(nc4cc(-c5ccc(F)cc5)nn42)CCCC3)CC1 ZINC000004980616 536417710 /nfs/dbraw/zinc/41/77/10/536417710.db2.gz LOPHWCUILXCJRT-UHFFFAOYSA-N 1 0 365.456 3.166 40 0 FGABRO C[NH+](C)CCNc1nc(Nc2ccc(Cl)cc2)cc(-c2cccnc2)n1 ZINC000328976900 210126303 /nfs/dbraw/zinc/12/63/03/210126303.db2.gz FRDWKZJZRHAYHG-UHFFFAOYSA-N 1 0 368.872 3.331 40 0 FGABRO CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](N(C(=O)OC(C)(C)C)C(C)C)CC1 ZINC000100177777 210084646 /nfs/dbraw/zinc/08/46/46/210084646.db2.gz LLXDYWCPBMVTED-XHSDSOJGSA-N 1 0 355.523 3.043 40 0 FGABRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cnn2c1nc(C1CC1)cc2C(F)F ZINC000002780747 210077894 /nfs/dbraw/zinc/07/78/94/210077894.db2.gz PBHCBNJLPOLGON-LLVKDONJSA-N 1 0 365.428 3.004 40 0 FGABRO CCOC[C@H]1CC[N@H+](CC2CC2)C2(CN(C(=O)c3cc(C)oc3C)C2)C1 ZINC000306144536 210058125 /nfs/dbraw/zinc/05/81/25/210058125.db2.gz ZICKSACICDLPPF-SFHVURJKSA-N 1 0 360.498 3.250 40 0 FGABRO COc1ncccc1C[N@H+]1C[C@H]2Cc3ncc(-c4ccccc4)n3C[C@@H]2C1 ZINC000306129164 210051234 /nfs/dbraw/zinc/05/12/34/210051234.db2.gz HWGOUQUQAYZHKI-MOPGFXCFSA-N 1 0 360.461 3.258 40 0 FGABRO COC[C@H]1CN(C(=O)c2ccco2)CC12CC[NH+](Cc1cccs1)CC2 ZINC000247846096 222952130 /nfs/dbraw/zinc/95/21/30/222952130.db2.gz MRMGBLFDEDGTFB-MRXNPFEDSA-N 1 0 374.506 3.342 40 0 FGABRO Cc1nc(Nc2nccnc2C2CC[NH+]([C@@H]3CCOC3)CC2)sc1C ZINC000257262373 223042258 /nfs/dbraw/zinc/04/22/58/223042258.db2.gz LLDSKLSXPUDJJB-OAHLLOKOSA-N 1 0 359.499 3.262 40 0 FGABRO Cc1ccc(C(=O)N2CCC(Cc3cnc(C[NH+](C)C)cn3)CC2)s1 ZINC000257320512 223064894 /nfs/dbraw/zinc/06/48/94/223064894.db2.gz VXEAQBHXVHPBPY-UHFFFAOYSA-N 1 0 358.511 3.003 40 0 FGABRO CCOc1ccccc1C[N@@H+]1CCC[C@@H]1c1cccc(CNC(C)=O)n1 ZINC000257322659 223065420 /nfs/dbraw/zinc/06/54/20/223065420.db2.gz WGWTZNQQQFOGBP-HXUWFJFHSA-N 1 0 353.466 3.454 40 0 FGABRO Clc1ccc(C[N@H+](CCCN2CCOCC2)Cc2ccncc2)cc1 ZINC000013989974 220099634 /nfs/dbraw/zinc/09/96/34/220099634.db2.gz BAWZMTKTGJXMIJ-UHFFFAOYSA-N 1 0 359.901 3.460 40 0 FGABRO C[N@@H+]1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)[C@H]1CCCCO1 ZINC000019589066 211238304 /nfs/dbraw/zinc/23/83/04/211238304.db2.gz CTXYVHOQOIYLEN-BQJUDKOJSA-N 1 0 356.510 3.425 40 0 FGABRO COc1ccc2c(c1)C=C(CN1C[C@@H]3CCC[N@@H+]3C[C@H]1CCSC)CO2 ZINC000019562282 211233372 /nfs/dbraw/zinc/23/33/72/211233372.db2.gz FWRWUFOWGFYNOE-RBUKOAKNSA-N 1 0 374.550 3.373 40 0 FGABRO COc1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CCO)ccc1OC1CCCC1 ZINC000019550123 211230842 /nfs/dbraw/zinc/23/08/42/211230842.db2.gz VGDIWGVIUBUVLH-OALUTQOASA-N 1 0 374.525 3.048 40 0 FGABRO CCOc1cc2c(cc1CN(CC[NH+](C)C)Cc1ccccn1)O[C@H](C)C2 ZINC000019532382 211230409 /nfs/dbraw/zinc/23/04/09/211230409.db2.gz WIKBVCGISUOZNN-QGZVFWFLSA-N 1 0 369.509 3.368 40 0 FGABRO CCOc1cc2c(cc1CN(CC[NH+](C)C)Cc1cccnc1)O[C@H](C)C2 ZINC000019532386 211229490 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0 FGABRO COc1cc([C@@](O)(c2ccccc2)[C@@H]2CCCC[NH2+]2)cc(OC)c1OC ZINC000001604298 210361455 /nfs/dbraw/zinc/36/14/55/210361455.db2.gz WJNADZRAMWNFKF-FPOVZHCZSA-N 1 0 357.450 3.090 40 0 FGABRO CC(C)Nc1nc(N2CCc3cc([C@H](C)O)ccc3C2)cc(C(C)C)[nH+]1 ZINC000328965512 132371823 /nfs/dbraw/zinc/37/18/23/132371823.db2.gz CDIGHLOYSXEVEU-HNNXBMFYSA-N 1 0 354.498 3.458 40 0 FGABRO Cc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(NC(C)C)[nH+]1 ZINC000329051383 132372967 /nfs/dbraw/zinc/37/29/67/132372967.db2.gz UVUAGZRIPJDTDP-UHFFFAOYSA-N 1 0 366.387 3.489 40 0 FGABRO Cc1ccccc1N1CC[NH+](C[C@H](O)c2ccc3c(c2)C[C@H](C)O3)CC1 ZINC000057823057 136130145 /nfs/dbraw/zinc/13/01/45/136130145.db2.gz IMNOYRGGLCBYRV-UWJYYQICSA-N 1 0 352.478 3.174 40 0 FGABRO Cc1cccc(C[NH+]2CCC3(CO[C@@H](COc4cccnc4)C3)CC2)n1 ZINC000096106090 222025244 /nfs/dbraw/zinc/02/52/44/222025244.db2.gz LUJMZLLGKJFYSP-HXUWFJFHSA-N 1 0 353.466 3.235 40 0 FGABRO CNC(=O)C[C@@H]1CC2(CC[NH+](CC3CCOCC3)CC2)c2ccccc21 ZINC000096052595 222002730 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Fc1cccnc1N1CC[C@@]2(C1)C[N@H+](Cc1cccnc1)CCC2(F)F ZINC000096239647 222094864 /nfs/dbraw/zinc/09/48/64/222094864.db2.gz VWYIPAJKEOTHIG-SFHVURJKSA-N 1 0 362.399 3.353 40 0 FGABRO COCC[NH+]1CCC2(CC1)C[C@H](NC(=O)c1ccco1)c1ccccc1O2 ZINC000096242765 222097007 /nfs/dbraw/zinc/09/70/07/222097007.db2.gz FJYGYQAFPVQETL-KRWDZBQOSA-N 1 0 370.449 3.014 40 0 FGABRO C[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@]12CCN(Cc1cccnc1)C2=O ZINC000096201721 222073288 /nfs/dbraw/zinc/07/32/88/222073288.db2.gz NXDWOZHFGCPNRI-IIBYNOLFSA-N 1 0 353.441 3.091 40 0 FGABRO Cc1nc(CO[C@H]2COC3(C2)CC[NH+](Cc2ccccn2)CC3)cs1 ZINC000096206276 222076198 /nfs/dbraw/zinc/07/61/98/222076198.db2.gz SWTWAFVZDCRHTB-GOSISDBHSA-N 1 0 359.495 3.187 40 0 FGABRO Cn1cccc1C(=O)N1CC[C@]2(C1)CCC[N@H+](CCOc1ccccc1)C2 ZINC000096216325 222081159 /nfs/dbraw/zinc/08/11/59/222081159.db2.gz XBDMPGJSMXGGBP-JOCHJYFZSA-N 1 0 367.493 3.032 40 0 FGABRO Cc1ccc(C[N@@H+]2CC[C@@]3(CC(C(=O)Nc4cccnc4C)=NO3)C2)s1 ZINC000096226113 222088637 /nfs/dbraw/zinc/08/86/37/222088637.db2.gz GQSATYKJMWYLGA-LJQANCHMSA-N 1 0 370.478 3.119 40 0 FGABRO CC(C)[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3cc4ccccc4[nH]3)C2)C1 ZINC000096228735 222089168 /nfs/dbraw/zinc/08/91/68/222089168.db2.gz HZSNSKFAETVRCI-NRFANRHFSA-N 1 0 355.482 3.131 40 0 FGABRO c1csc(C[N@H+]2CCC[C@]3(C2)COCCN(Cc2ccccn2)C3)c1 ZINC000096229317 222090825 /nfs/dbraw/zinc/09/08/25/222090825.db2.gz GKWXDZYIMJVOSE-HXUWFJFHSA-N 1 0 357.523 3.258 40 0 FGABRO CCOc1ncc(C2(O)CC[NH+](Cc3ccc(C)cc3)CC2)c(OCC)n1 ZINC000012186394 263369733 /nfs/dbraw/zinc/36/97/33/263369733.db2.gz YTOQZBHTLYXNPL-UHFFFAOYSA-N 1 0 371.481 3.066 40 0 FGABRO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)CO[C@@H]2CCC[C@H]2C)CC1 ZINC000012414250 263370636 /nfs/dbraw/zinc/37/06/36/263370636.db2.gz ASGBNDDPSCZXIH-IMFGXOCKSA-N 1 0 366.933 3.337 40 0 FGABRO Cc1ccc(OCCOC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1C ZINC000004942396 493902102 /nfs/dbraw/zinc/90/21/02/493902102.db2.gz JWCPBPCISMFPBK-OAQYLSRUSA-N 1 0 355.478 3.118 40 0 FGABRO C[C@@H](c1ccccc1F)n1cc(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)nn1 ZINC000004986369 493905863 /nfs/dbraw/zinc/90/58/63/493905863.db2.gz WVUUNZKCQDVQMJ-XHSDSOJGSA-N 1 0 373.476 3.019 40 0 FGABRO COc1cc(CC[NH+]2CCN(c3ccccc3C)CC2)cc(OC)c1OC ZINC000005337866 493926005 /nfs/dbraw/zinc/92/60/05/493926005.db2.gz JLDKVTJUIVFOOF-UHFFFAOYSA-N 1 0 370.493 3.386 40 0 FGABRO C[NH+]1CCN(c2ncccc2[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000072216611 494145835 /nfs/dbraw/zinc/14/58/35/494145835.db2.gz UCTNQVLGEXVYSK-KRWDZBQOSA-N 1 0 360.502 3.296 40 0 FGABRO COc1ccc(C[N@@H+]2CCC[C@H](c3nccnc3-n3ccnc3C)C2)cc1 ZINC000072350515 494155589 /nfs/dbraw/zinc/15/55/89/494155589.db2.gz LBRLJUXAEJVIQX-SFHVURJKSA-N 1 0 363.465 3.359 40 0 FGABRO Cc1cccc(Nc2cncc([C@@H]3CCC[N@@H+](C4CCOCC4)C3)n2)n1 ZINC000072354356 494156455 /nfs/dbraw/zinc/15/64/55/494156455.db2.gz ZXASALPOVCEOBV-MRXNPFEDSA-N 1 0 353.470 3.282 40 0 FGABRO O=C(C[NH+]1CCC(c2cncc(-c3cccc(F)c3)n2)CC1)N1CCCC1 ZINC000072359388 494157370 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CCOC(=O)C1CCN(C(=O)c2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000044786631 494381062 /nfs/dbraw/zinc/38/10/62/494381062.db2.gz HTPVRSNFYDPRRF-UHFFFAOYSA-N 1 0 372.509 3.478 40 0 FGABRO Fc1cccnc1OC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccccn1)C2 ZINC000107712744 494589840 /nfs/dbraw/zinc/58/98/40/494589840.db2.gz CEEHZBBGFWBMMO-ICSRJNTNSA-N 1 0 357.429 3.066 40 0 FGABRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)Cc2cccnc2)C3)o1 ZINC000096047118 494998677 /nfs/dbraw/zinc/99/86/77/494998677.db2.gz JEWWMYVEJSAHGX-NRFANRHFSA-N 1 0 353.466 3.040 40 0 FGABRO COc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](Nc4ccc(C)nn4)CO3)C2)cc1 ZINC000096048467 495000199 /nfs/dbraw/zinc/00/01/99/495000199.db2.gz HUUGNFFMTNKIER-GHTZIAJQSA-N 1 0 368.481 3.029 40 0 FGABRO Cc1nc(CO[C@H]2CCOC3(CN(Cc4scnc4C)C3)C2)cs1 ZINC000248026633 496943102 /nfs/dbraw/zinc/94/31/02/496943102.db2.gz KJUHCPOVJRSDCA-HNNXBMFYSA-N 1 0 365.524 3.167 40 0 FGABRO Brc1ccc(-c2ccc3nnc([C@H]4CCCC[NH2+]4)n3n2)cc1 ZINC000217563957 496998050 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ZINC000257254693 223038619 /nfs/dbraw/zinc/03/86/19/223038619.db2.gz KEGSXRWFIZYVNK-KRWDZBQOSA-N 1 0 351.454 3.467 40 0 FGABRO C[NH+](C)Cc1cc([C@H]2CCCN2C(=O)COc2ccc(F)cc2)ccn1 ZINC000257267476 223043444 /nfs/dbraw/zinc/04/34/44/223043444.db2.gz MHLXOBHFAGJDRQ-LJQANCHMSA-N 1 0 357.429 3.025 40 0 FGABRO C[NH+](C)Cc1cccc([C@@H]2CCCN2C(=O)COc2cccc(F)c2)n1 ZINC000257276970 223047139 /nfs/dbraw/zinc/04/71/39/223047139.db2.gz NVXLZCTZRLZGMY-IBGZPJMESA-N 1 0 357.429 3.025 40 0 FGABRO CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCC[N@@H+]2C2CCCCC2)n1 ZINC000019709794 211247312 /nfs/dbraw/zinc/24/73/12/211247312.db2.gz ZVBMGWLGWQEAPL-GOSISDBHSA-N 1 0 359.518 3.356 40 0 FGABRO O=C(c1ccncc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](CC3CC3)CC[C@@H]21 ZINC000019405003 211221991 /nfs/dbraw/zinc/22/19/91/211221991.db2.gz PJMSMTLQVPRZSW-UFYCRDLUSA-N 1 0 367.518 3.483 40 0 FGABRO COc1cccc(C[N@@H+]2CCC[C@H](c3cc(C(=O)N4CCCC4)on3)C2)c1 ZINC000019565123 211233485 /nfs/dbraw/zinc/23/34/85/211233485.db2.gz KHWKIJGJWWXLNX-KRWDZBQOSA-N 1 0 369.465 3.299 40 0 FGABRO COc1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2Cc2ccccc2)ccc1O ZINC000019550097 211231134 /nfs/dbraw/zinc/23/11/34/211231134.db2.gz HGDQBJWEIVWYPB-VQTJNVASSA-N 1 0 352.478 3.292 40 0 FGABRO COc1cc(CN2CC[NH+](C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc(OC)c1OC ZINC000019549840 211230214 /nfs/dbraw/zinc/23/02/14/211230214.db2.gz ACUYWIJYRNMARV-NEWSRXKRSA-N 1 0 372.509 3.042 40 0 FGABRO CC(C)CSc1ncc(C[NH2+]CCc2nc3ccccc3n2C)cn1 ZINC000019447381 211221300 /nfs/dbraw/zinc/22/13/00/211221300.db2.gz GQEFVNXWKDXAGJ-UHFFFAOYSA-N 1 0 355.511 3.444 40 0 FGABRO O=C(Cc1cccc(F)c1)N1CCC[C@H]2[NH2+]C[C@H](c3ccc(F)cc3)[C@H]21 ZINC000019293729 211213952 /nfs/dbraw/zinc/21/39/52/211213952.db2.gz KMCMADASTQKQDN-SFHLNBCPSA-N 1 0 356.416 3.254 40 0 FGABRO CC[NH+](CC)CCOC(=O)[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000001671205 210364964 /nfs/dbraw/zinc/36/49/64/210364964.db2.gz HSSAWUQXYHLJOI-LJQANCHMSA-N 1 0 354.450 3.294 40 0 FGABRO Cc1nc([C@H]2CCC[NH2+]C2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000257223342 132295015 /nfs/dbraw/zinc/29/50/15/132295015.db2.gz DWXOCMNKKBUNCA-SFHVURJKSA-N 1 0 364.493 3.164 40 0 FGABRO CC[C@H](C)Nc1cc(N2CCc3cc(C(=O)OC)ccc3C2)nc(C)[nH+]1 ZINC000328960977 132371939 /nfs/dbraw/zinc/37/19/39/132371939.db2.gz AZVPCWNHWDWIRF-ZDUSSCGKSA-N 1 0 354.454 3.345 40 0 FGABRO Cc1cc(N2CCc3ccc(Br)cc3C2)nc(NC(C)C)[nH+]1 ZINC000329054027 132373013 /nfs/dbraw/zinc/37/30/13/132373013.db2.gz VJCSVLNVJGXEAF-UHFFFAOYSA-N 1 0 361.287 3.352 40 0 FGABRO Clc1ccc2c(c1)nccc2N1CCN([C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000020494339 132896818 /nfs/dbraw/zinc/89/68/18/132896818.db2.gz UHNSJAUKQWTSDS-HXUWFJFHSA-N 1 0 356.901 3.104 40 0 FGABRO Cc1ncsc1C[NH+]1CCC2(CCOC[C@H]2COCC2CC2)CC1 ZINC000096106489 222025382 /nfs/dbraw/zinc/02/53/82/222025382.db2.gz CQEZNNWGLJZPMO-KRWDZBQOSA-N 1 0 350.528 3.497 40 0 FGABRO Cc1nc(CO[C@@H]2CO[C@@]3(CC[N@H+](Cc4ccsc4)C3)C2)cs1 ZINC000096107624 222026820 /nfs/dbraw/zinc/02/68/20/222026820.db2.gz WLNITLAHRCHDPK-IRXDYDNUSA-N 1 0 350.509 3.463 40 0 FGABRO Cc1cccc(C[NH+]2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)n1 ZINC000096107036 222027084 /nfs/dbraw/zinc/02/70/84/222027084.db2.gz HKRGPKSRVRTHLC-KRWDZBQOSA-N 1 0 357.429 3.127 40 0 FGABRO Cn1cc(C[N@@H+]2CCC[C@]3(CCC(=O)N3Cc3cccc(F)c3)CC2)cn1 ZINC000096047551 222000097 /nfs/dbraw/zinc/00/00/97/222000097.db2.gz BXNAJNNGGCGOGX-NRFANRHFSA-N 1 0 370.472 3.107 40 0 FGABRO O=C(CC1CCC2(CC1)CC[NH+](Cc1ccco1)CC2)N1CCOCC1 ZINC000096049286 222001462 /nfs/dbraw/zinc/00/14/62/222001462.db2.gz USTWFQADXLODLF-UHFFFAOYSA-N 1 0 360.498 3.301 40 0 FGABRO CCCCC[NH+]1CCC2(CCCN2S(=O)(=O)c2ccccc2)CC1 ZINC000096075188 222012653 /nfs/dbraw/zinc/01/26/53/222012653.db2.gz BQQTWALFLROJQB-UHFFFAOYSA-N 1 0 350.528 3.496 40 0 FGABRO O=C(CCc1cccnc1)N1C[C@@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC000096245517 222100310 /nfs/dbraw/zinc/10/03/10/222100310.db2.gz IIEGMLLZJXFTFE-KDURUIRLSA-N 1 0 369.896 3.258 40 0 FGABRO Cc1noc(C)c1C[N@@H+]1CCc2ncnc(-c3ccc(F)cc3)c2CC1 ZINC000096255275 222102327 /nfs/dbraw/zinc/10/23/27/222102327.db2.gz JAWUBSLANHYJKB-UHFFFAOYSA-N 1 0 352.413 3.488 40 0 FGABRO O=S1(=O)c2ccccc2[C@]2(CC[N@H+](CC3CC3)C2)N1Cc1ccccc1 ZINC000096261916 222104737 /nfs/dbraw/zinc/10/47/37/222104737.db2.gz FVVUSFLYSWKBAN-OAQYLSRUSA-N 1 0 368.502 3.202 40 0 FGABRO O=C(NCc1cccs1)[C@H]1C[C@]2(CO1)c1ccccc1C[N@H+]2CC1CC1 ZINC000096143906 222047378 /nfs/dbraw/zinc/04/73/78/222047378.db2.gz RMEJOMFJHNTONG-CTNGQTDRSA-N 1 0 368.502 3.274 40 0 FGABRO CC(C)n1c(C(=O)N2CCC[N@H+](C)CC2)cc2c1c1ccccc1n2C ZINC000096146289 222048770 /nfs/dbraw/zinc/04/87/70/222048770.db2.gz CXSQUVPYAYCVKM-UHFFFAOYSA-N 1 0 352.482 3.492 40 0 FGABRO CC(C)[NH+]1CCN(c2ccc3ccc(C(=O)NC4CCCC4)cn32)CC1 ZINC000096156082 222056327 /nfs/dbraw/zinc/05/63/27/222056327.db2.gz YRYHWODSBCZIBC-UHFFFAOYSA-N 1 0 354.498 3.142 40 0 FGABRO O=C(c1cscn1)N1CCC2(CCC[N@H+](Cc3ccccn3)C2)CC1 ZINC000096158497 222057622 /nfs/dbraw/zinc/05/76/22/222057622.db2.gz ARXLWTHQRQLOKV-UHFFFAOYSA-N 1 0 356.495 3.057 40 0 FGABRO COC[C@@H]1CC2(C[N@@H+]1C)CCN(C(=O)c1cc3ccccc3s1)CC2 ZINC000096207576 222075822 /nfs/dbraw/zinc/07/58/22/222075822.db2.gz QZEXDRYXNANCKJ-INIZCTEOSA-N 1 0 358.507 3.474 40 0 FGABRO COc1ccccc1C[N@@H+]1CC[C@]2(C1)C[C@H](Nc1ccccn1)CCO2 ZINC000096206028 222076473 /nfs/dbraw/zinc/07/64/73/222076473.db2.gz RZKLKBJOAYHMDZ-WIYYLYMNSA-N 1 0 353.466 3.326 40 0 FGABRO O=c1ccc(-c2ccc(OC(F)(F)F)cc2)c2n1C[C@@H]1C[NH2+]C[C@H]2C1 ZINC000004237462 493869366 /nfs/dbraw/zinc/86/93/66/493869366.db2.gz XFLGEZFLCFYXQY-WCQYABFASA-N 1 0 350.340 3.121 40 0 biogenic,in-vitro FGABRO CCOc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000030498173 493893129 /nfs/dbraw/zinc/89/31/29/493893129.db2.gz MKTIYUARGPLPFG-UHFFFAOYSA-N 1 0 374.506 3.160 40 0 FGABRO COc1cc(CC[NH+]2CCN(c3ccccc3)CC2)cc(OC)c1OC ZINC000005335093 493926073 /nfs/dbraw/zinc/92/60/73/493926073.db2.gz XVTWPBXEXCAEMB-UHFFFAOYSA-N 1 0 356.466 3.077 40 0 FGABRO O=C(C[NH2+]Cc1ccccc1)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000035311556 494073919 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Cc1nccn1-c1nccnc1[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000072350504 494156171 /nfs/dbraw/zinc/15/61/71/494156171.db2.gz CAEBPYLBWQWKCJ-KRWDZBQOSA-N 1 0 351.429 3.489 40 0 FGABRO Cc1cccnc1Nc1nccc([C@@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)n1 ZINC000072378014 494160680 /nfs/dbraw/zinc/16/06/80/494160680.db2.gz KXONFXABXDVIHM-QGZVFWFLSA-N 1 0 363.469 3.037 40 0 FGABRO COc1ccccc1C[N@@H+]1CCC[C@H]([C@@H](NC(C)=O)c2nccs2)C1 ZINC000012157611 494210428 /nfs/dbraw/zinc/21/04/28/494210428.db2.gz MXVZUPFHVQXZCO-FUHWJXTLSA-N 1 0 359.495 3.241 40 0 FGABRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H](O)c2ccc(C)c(C)c2)CC1 ZINC000012188318 494211133 /nfs/dbraw/zinc/21/11/33/494211133.db2.gz DHEGDKQALFVIBT-JOCHJYFZSA-N 1 0 366.505 3.464 40 0 FGABRO CC[NH+]1CCN(c2ncc(-c3ccncc3)c(-c3cccs3)n2)CC1 ZINC000012222139 494215162 /nfs/dbraw/zinc/21/51/62/494215162.db2.gz XBAYVEMSLJXICE-UHFFFAOYSA-N 1 0 351.479 3.409 40 0 FGABRO Cc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3ccccc3)CC1)O2 ZINC000012293332 494220691 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Cc1cc(C)c(OC[C@H](O)C[NH+]2CCN(c3ccccc3)CC2)c(C)c1 ZINC000027531000 494871177 /nfs/dbraw/zinc/87/11/77/494871177.db2.gz JJSWXARDAJJOIP-OAQYLSRUSA-N 1 0 354.494 3.174 40 0 FGABRO Cc1ncsc1C[N@@H+]1CC[C@H]2OCCC[C@]2(COc2cccnc2)C1 ZINC000096040048 494997683 /nfs/dbraw/zinc/99/76/83/494997683.db2.gz BMHZUFYHTAGWDH-RTBURBONSA-N 1 0 359.495 3.297 40 0 FGABRO COc1ccc(C[N@@H+]2CCC[C@]3(CCN(Cc4cccnc4)C3=O)C2)cc1 ZINC000096048626 494999614 /nfs/dbraw/zinc/99/96/14/494999614.db2.gz ZJARVPJVDZHVNG-QFIPXVFZSA-N 1 0 365.477 3.105 40 0 FGABRO C[N@@H+]1C[C@@H](COCC2CC2)C2(C1)CCN(C(=O)CCc1ccccc1)CC2 ZINC000247960335 496933226 /nfs/dbraw/zinc/93/32/26/496933226.db2.gz DELPNPFKSOANGR-NRFANRHFSA-N 1 0 370.537 3.216 40 0 FGABRO COc1cc2c(cc1OC)[C@@H](C)[N@@H+]([C@H]1CCCN(C(=O)C(C)C)C1)CC2 ZINC000248138766 496961771 /nfs/dbraw/zinc/96/17/71/496961771.db2.gz BBANAOAFNNVANU-WBVHZDCISA-N 1 0 360.498 3.270 40 0 FGABRO Brc1cccc(-c2ccc3nnc([C@H]4CCCC[NH2+]4)n3n2)c1 ZINC000217564148 496998651 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534410156 /nfs/dbraw/zinc/41/01/56/534410156.db2.gz FIBPHVVBVHDNOI-HNNXBMFYSA-N 1 0 358.511 3.003 40 0 FGABRO CC[C@H](Oc1ccc(F)cc1)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020038196 522874143 /nfs/dbraw/zinc/87/41/43/522874143.db2.gz BGAWWIFNYXYLOD-FCEWJHQRSA-N 1 0 350.478 3.467 40 0 FGABRO COc1cccc(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000078578719 525820690 /nfs/dbraw/zinc/82/06/90/525820690.db2.gz RRDNSDHRGCGBNR-UHFFFAOYSA-N 1 0 354.450 3.098 40 0 FGABRO Cc1cnc(Nc2nccnc2[C@@H]2CCC[N@H+](Cc3c[nH]nc3C)C2)s1 ZINC000257279768 526096623 /nfs/dbraw/zinc/09/66/23/526096623.db2.gz OICHWMRUVAULAI-CQSZACIVSA-N 1 0 369.498 3.396 40 0 FGABRO O=C(Nc1cc(C(F)(F)F)ccc1Br)C1CC[NH2+]CC1 ZINC000228845243 527102450 /nfs/dbraw/zinc/10/24/50/527102450.db2.gz PCEKERWPUCYWMA-UHFFFAOYSA-N 1 0 351.166 3.406 40 0 FGABRO CC(C)c1cc(C(=O)N2CCO[C@H](CCc3cc[nH+]c(N)c3)C2)cs1 ZINC000257246469 528021271 /nfs/dbraw/zinc/02/12/71/528021271.db2.gz IUFZHEDQOHDUFW-MRXNPFEDSA-N 1 0 359.495 3.323 40 0 FGABRO CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1OC[C@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000095532902 535037506 /nfs/dbraw/zinc/03/75/06/535037506.db2.gz MEQDLZDIBGJZGI-LPOZWGFCSA-N 1 0 372.553 3.401 40 0 FGABRO Cc1ccc(S(=O)(=O)N2CCC3(CC[N@@H+]3Cc3ccccc3)CC2)cc1 ZINC000216646404 568133190 /nfs/dbraw/zinc/13/31/90/568133190.db2.gz AYIBHUKUVUPEII-UHFFFAOYSA-N 1 0 370.518 3.424 40 0 FGABRO OCC[C@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000624289071 571145752 /nfs/dbraw/zinc/14/57/52/571145752.db2.gz DBOAYYGZVBRDJX-ROUUACIJSA-N 1 0 373.324 3.260 40 0 FGABRO C[N@@H+]1CCN(Cc2cscn2)C[C@@H](Cc2cccc3ncccc23)C1 ZINC000257286235 529775100 /nfs/dbraw/zinc/77/51/00/529775100.db2.gz PKVASMSXXAVPRV-INIZCTEOSA-N 1 0 352.507 3.298 40 0 FGABRO CCOc1ccc(CCC(=O)NCCC[NH+]2CCCCC2)cc1OCC ZINC000216460827 222667295 /nfs/dbraw/zinc/66/72/95/222667295.db2.gz BGHLARNKYAGRER-UHFFFAOYSA-N 1 0 362.514 3.409 40 0 FGABRO CC(C)[C@H](CO)Nc1nc(NCc2cc(F)cc(F)c2)cc(C2CC2)[nH+]1 ZINC000329056700 210133280 /nfs/dbraw/zinc/13/32/80/210133280.db2.gz VTPBIJGYCUCWSW-KRWDZBQOSA-N 1 0 362.424 3.095 40 0 FGABRO C[NH+](C)CCNc1nc(Nc2ccc(Cl)cc2Cl)cc(C2CC2)n1 ZINC000329014384 210131554 /nfs/dbraw/zinc/13/15/54/210131554.db2.gz MVQUXKXRYKUIGU-UHFFFAOYSA-N 1 0 366.296 3.222 40 0 FGABRO COc1ccccc1-c1cnc2n1C[C@@]1(CC[N@H+](Cc3ccccn3)C1)C2 ZINC000306143685 210058665 /nfs/dbraw/zinc/05/86/65/210058665.db2.gz YIXZZYWRJMQNTR-QFIPXVFZSA-N 1 0 360.461 3.402 40 0 FGABRO COc1ccccc1-c1cnc2n1C[C@]1(CC[N@H+](Cc3cccnc3)C1)C2 ZINC000306143666 210057197 /nfs/dbraw/zinc/05/71/97/210057197.db2.gz YIMBSWNVORRCCR-JOCHJYFZSA-N 1 0 360.461 3.402 40 0 FGABRO c1cc2n(n1)C[C@@H](C[NH+]1CCCC1)CN(Cc1ccc3ccccc3n1)C2 ZINC000306125953 210048899 /nfs/dbraw/zinc/04/88/99/210048899.db2.gz DGXKXJXNQHCZCQ-SFHVURJKSA-N 1 0 361.493 3.159 40 0 FGABRO C[C@@H]1C[N@@H+](C[C@H](O)COCC(c2ccccc2)c2ccccc2)C[C@H](C)O1 ZINC000040373073 210043496 /nfs/dbraw/zinc/04/34/96/210043496.db2.gz DKCREKPEBXMOPS-JQVVWYNYSA-N 1 0 369.505 3.305 40 0 FGABRO c1cc2n(n1)C[C@H](C[NH+]1CCCCC1)CN(CCOCc1ccccc1)C2 ZINC000253603829 222995846 /nfs/dbraw/zinc/99/58/46/222995846.db2.gz NLZYRBQVRJBRDA-OAQYLSRUSA-N 1 0 368.525 3.018 40 0 FGABRO Cc1ncc(-c2nccnc2CC2CC[NH+](Cc3cccnc3)CC2)n1C ZINC000257271892 223046217 /nfs/dbraw/zinc/04/62/17/223046217.db2.gz NAFOGGRPVDDWIR-UHFFFAOYSA-N 1 0 362.481 3.035 40 0 FGABRO Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)c3cc(CC(C)C)no3)C2)[nH+]1 ZINC000257278263 223048161 /nfs/dbraw/zinc/04/81/61/223048161.db2.gz OBNLUIXMIPEFRW-OAHLLOKOSA-N 1 0 356.470 3.272 40 0 FGABRO Cc1ncsc1C[NH+]1CCC(Cc2cnc(-c3ncc[nH]3)cn2)CC1 ZINC000257292385 223054385 /nfs/dbraw/zinc/05/43/85/223054385.db2.gz QLFSCADKPZCLNC-UHFFFAOYSA-N 1 0 354.483 3.086 40 0 FGABRO Cc1c[nH]c(-c2cc(C)nc(C3CC[NH+](Cc4cncs4)CC3)n2)n1 ZINC000257331464 223067907 /nfs/dbraw/zinc/06/79/07/223067907.db2.gz XSZMCVJMZNFKOB-UHFFFAOYSA-N 1 0 354.483 3.320 40 0 FGABRO CN(C)C(=O)c1sc2ncccc2c1[C@H]1CC[N@H+](Cc2cncs2)C1 ZINC000257330480 223067950 /nfs/dbraw/zinc/06/79/50/223067950.db2.gz XOPMYJJMARBIFK-LBPRGKRZSA-N 1 0 372.519 3.444 40 0 FGABRO COc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3cccs3)n2)cc1 ZINC000015674706 220158779 /nfs/dbraw/zinc/15/87/79/220158779.db2.gz MHTICMJHURUMQR-CJNGLKHVSA-N 1 0 357.435 3.115 40 0 biogenic,in-vitro FGABRO CC(C)(C)c1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)Nc2nccs2)no1 ZINC000015673242 220159656 /nfs/dbraw/zinc/15/96/56/220159656.db2.gz PCAYAOIMNXTSNF-STQMWFEESA-N 1 0 362.499 3.226 40 0 biogenic,in-vitro FGABRO Nc1n[nH]c2nc([C@@H]3CCC[N@H+](Cc4ccnc5ccccc45)C3)ccc12 ZINC000019742825 211253594 /nfs/dbraw/zinc/25/35/94/211253594.db2.gz RADDXMLYAFOSBO-OAHLLOKOSA-N 1 0 358.449 3.468 40 0 FGABRO C[NH+](C)Cc1cc(-c2ccccc2F)nn1CCNC(=O)C[C@H]1C=CCC1 ZINC000019583437 211237770 /nfs/dbraw/zinc/23/77/70/211237770.db2.gz IQZJGSKDZHDKPN-INIZCTEOSA-N 1 0 370.472 3.223 40 0 FGABRO Cc1cc(C)cc(C2(C(=O)NCC[N@@H+](C)C3CCCC3)CCOCC2)c1 ZINC000019662005 211245781 /nfs/dbraw/zinc/24/57/81/211245781.db2.gz ZTLDNHFIJZDJQR-UHFFFAOYSA-N 1 0 358.526 3.342 40 0 FGABRO CCN(C(=O)CCCc1nc(-c2ccc(F)cc2)no1)C1CC[NH+](C)CC1 ZINC000019656535 211243099 /nfs/dbraw/zinc/24/30/99/211243099.db2.gz CWCUBRMNAVXZOU-UHFFFAOYSA-N 1 0 374.460 3.141 40 0 FGABRO CC(C)c1cc(C(=O)N2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)cs1 ZINC000019452206 211223296 /nfs/dbraw/zinc/22/32/96/211223296.db2.gz BJMKLJWVPYFJOQ-MRXNPFEDSA-N 1 0 356.495 3.285 40 0 FGABRO CCOc1ccc(C[N@@H+]2CCC[C@@H](c3nc(CC)cc(=O)[nH]3)C2)cc1OC ZINC000019522502 211227558 /nfs/dbraw/zinc/22/75/58/211227558.db2.gz IOHVLZHQNJBHTN-MRXNPFEDSA-N 1 0 371.481 3.119 40 0 FGABRO O[C@@]1(c2ccccn2)CC[C@H]2C[N@H+](Cc3c[nH]nc3-c3cccs3)C[C@H]21 ZINC000019402282 211220801 /nfs/dbraw/zinc/22/08/01/211220801.db2.gz YCBFYGLYHCSMMH-NBQZKYEYSA-N 1 0 366.490 3.263 40 0 FGABRO O=C(CCc1ccc(Cl)cc1)N1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1 ZINC000019333569 211215831 /nfs/dbraw/zinc/21/58/31/211215831.db2.gz XXXRFBMEHXUYJM-SFHVURJKSA-N 1 0 370.884 3.072 40 0 FGABRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1ccc(F)cc1 ZINC000012198391 210928101 /nfs/dbraw/zinc/92/81/01/210928101.db2.gz XTEPIYJYJSFDFK-WMZOPIPTSA-N 1 0 362.832 3.202 40 0 FGABRO COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@H]([NH3+])CC2 ZINC000005327908 210613973 /nfs/dbraw/zinc/61/39/73/210613973.db2.gz NUNCOHUMTCDISK-CQSZACIVSA-N 1 0 373.474 3.408 40 0 FGABRO COc1cccc(-c2cc(C(=O)N3CCC[C@@H]4[N@H+](C)CCC[C@@]43C)[nH]n2)c1 ZINC000257333980 533367199 /nfs/dbraw/zinc/36/71/99/533367199.db2.gz YDZJDMDZADLHAF-FPOVZHCZSA-N 1 0 368.481 3.174 40 0 FGABRO Cc1nc([C@@H]2CCC[NH2+]2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000257290510 132296820 /nfs/dbraw/zinc/29/68/20/132296820.db2.gz QDFSWTWCWXEGTP-SFHVURJKSA-N 1 0 350.466 3.122 40 0 FGABRO Cc1cccc(CO[C@H]2COC3(C2)CC[NH+](Cc2cccnc2)CC3)n1 ZINC000096106804 222025427 /nfs/dbraw/zinc/02/54/27/222025427.db2.gz SPWDDPXIVQZZMT-HXUWFJFHSA-N 1 0 353.466 3.125 40 0 FGABRO COc1ccc(O[C@H]2COCC[N@H+](Cc3c[nH]c4ccccc34)C2)cc1 ZINC000096113226 222031162 /nfs/dbraw/zinc/03/11/62/222031162.db2.gz VOMVVSQPDWIECJ-LJQANCHMSA-N 1 0 352.434 3.456 40 0 biogenic,in-vitro FGABRO O=C1C[C@]2(CC[N@H+](Cc3ccsc3)C2)CN1c1ccc2c(c1)OCO2 ZINC000096050765 222002078 /nfs/dbraw/zinc/00/20/78/222002078.db2.gz HXLNDTYQYJXUSI-IBGZPJMESA-N 1 0 356.447 3.106 40 0 FGABRO Cn1ccc(C(=O)N[C@@H]2CCC23CC[NH+](Cc2ccc(F)cc2)CC3)c1 ZINC000096051698 222002392 /nfs/dbraw/zinc/00/23/92/222002392.db2.gz CJUOXRNNGGGPMX-LJQANCHMSA-N 1 0 355.457 3.339 40 0 FGABRO O=C(Nc1ccccc1)[C@H]1C[N@H+](Cc2nccs2)CC12CCOCC2 ZINC000096052252 222002840 /nfs/dbraw/zinc/00/28/40/222002840.db2.gz SQDINICZNUUZDV-MRXNPFEDSA-N 1 0 357.479 3.010 40 0 FGABRO COC[C@@H]1CC2(CN1c1ncccn1)CC[NH+](Cc1ccc(C)s1)CC2 ZINC000096051805 222003571 /nfs/dbraw/zinc/00/35/71/222003571.db2.gz JHGWAGZIGPIEBC-KRWDZBQOSA-N 1 0 372.538 3.354 40 0 FGABRO O=C(Nc1ccccc1)[C@@H]1C[N@H+](Cc2nccs2)CC12CCOCC2 ZINC000096052251 222003588 /nfs/dbraw/zinc/00/35/88/222003588.db2.gz SQDINICZNUUZDV-INIZCTEOSA-N 1 0 357.479 3.010 40 0 FGABRO Fc1ccc(C[N@H+]2C[C@H]3c4ccccc4[C@H](N4CCOCC4)[C@H]3C2)cc1 ZINC000096058345 222006647 /nfs/dbraw/zinc/00/66/47/222006647.db2.gz KXEIOMGFPBFSSC-FKBYEOEOSA-N 1 0 352.453 3.428 40 0 FGABRO COc1ccc(CN2CCOC[C@]3(CC[N@H+](Cc4cccs4)C3)C2)cc1 ZINC000096062404 222008703 /nfs/dbraw/zinc/00/87/03/222008703.db2.gz HOGMRNNLBUQERZ-NRFANRHFSA-N 1 0 372.534 3.481 40 0 FGABRO Cc1ccc(C[NH+]2CCC3(CC2)OCCN(CCO)c2ccccc23)s1 ZINC000096243972 222099140 /nfs/dbraw/zinc/09/91/40/222099140.db2.gz ALVXRIJOPYBLPL-UHFFFAOYSA-N 1 0 372.534 3.377 40 0 FGABRO CCc1nc(-c2noc3ccc(C(=O)N4CCC([NH+](C)C)CC4)cc32)co1 ZINC000096154398 222056989 /nfs/dbraw/zinc/05/69/89/222056989.db2.gz HHPWUAZBJPQIPR-UHFFFAOYSA-N 1 0 368.437 3.211 40 0 FGABRO COc1cccc(C[NH+]2CCC3(CCN(c4ncc(C)cn4)C3)CC2)c1 ZINC000096157607 222058875 /nfs/dbraw/zinc/05/88/75/222058875.db2.gz LHAOLTGJEGDQSF-UHFFFAOYSA-N 1 0 352.482 3.286 40 0 FGABRO Cc1cccc(C(=O)N2CCC3(CC[C@H](COCC4CC4)[N@H+]3C)CC2)c1 ZINC000096209128 222078472 /nfs/dbraw/zinc/07/84/72/222078472.db2.gz JLRAENZGORLHCP-HXUWFJFHSA-N 1 0 356.510 3.491 40 0 FGABRO c1cc(C[NH+]2CCC3(CCOC[C@@H]3COc3cnccn3)CC2)cs1 ZINC000096209746 222080362 /nfs/dbraw/zinc/08/03/62/222080362.db2.gz HTBAKOCAHLFWOK-QGZVFWFLSA-N 1 0 359.495 3.236 40 0 FGABRO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4ccc[nH]4)C3)C2)c1 ZINC000096215628 222080534 /nfs/dbraw/zinc/08/05/34/222080534.db2.gz AAUFDWDIEWHLSZ-OAQYLSRUSA-N 1 0 353.466 3.152 40 0 FGABRO Cc1ccc2c(c1)CN(C(=O)C1(c3ccccc3)CC1)[C@@H](C[NH+](C)C)CO2 ZINC000100738667 222251118 /nfs/dbraw/zinc/25/11/18/222251118.db2.gz CTCQRGXBVVJAIM-FQEVSTJZSA-N 1 0 364.489 3.378 40 0 FGABRO c1ccc(C[N@@H+]2CC[C@]3(C2)COCc2cnc(-c4cccnc4)nc23)cc1 ZINC000101150357 222263050 /nfs/dbraw/zinc/26/30/50/222263050.db2.gz SVLVBPZYBXWCGJ-QFIPXVFZSA-N 1 0 358.445 3.213 40 0 FGABRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000019456339 263374608 /nfs/dbraw/zinc/37/46/08/263374608.db2.gz AEXHWJTVSJBTBQ-GVVDHYSOSA-N 1 0 356.510 3.043 40 0 FGABRO O=C(Cn1c2ccccc2nc1CCC[NH+]1CCCCC1)N1CCCCC1 ZINC000076556385 493921505 /nfs/dbraw/zinc/92/15/05/493921505.db2.gz IWWOTJDBEJCADH-UHFFFAOYSA-N 1 0 368.525 3.467 40 0 FGABRO COc1cc2c(cc1OC)[C@@H](c1cc3cc(C)cc(C)c3[nH]c1=O)[NH2+]CC2 ZINC000035316187 494075519 /nfs/dbraw/zinc/07/55/19/494075519.db2.gz WURRIVINXSMKDW-NRFANRHFSA-N 1 0 364.445 3.397 40 0 FGABRO Cc1ccc(C[NH+]2CCC(C(=O)N3CC(=O)Nc4ccccc43)CC2)cc1 ZINC000009063169 494114068 /nfs/dbraw/zinc/11/40/68/494114068.db2.gz WQGQVATXVXXKHR-UHFFFAOYSA-N 1 0 363.461 3.192 40 0 FGABRO CC(=O)N1Cc2ccccc2OC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC000072394333 494163408 /nfs/dbraw/zinc/16/34/08/494163408.db2.gz BGJNGRZDKVRXBN-UHFFFAOYSA-N 1 0 350.462 3.462 40 0 FGABRO O=c1cc([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)nc(-c2ccccn2)[nH]1 ZINC000072393188 494163660 /nfs/dbraw/zinc/16/36/60/494163660.db2.gz TXCCNYYNVSLXHS-MRXNPFEDSA-N 1 0 364.424 3.351 40 0 FGABRO COc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2cccnc2)c(F)c1 ZINC000012135033 494207188 /nfs/dbraw/zinc/20/71/88/494207188.db2.gz DNETVNRYWUPQSX-HTZLVSCSSA-N 1 0 356.441 3.349 40 0 FGABRO CC(=O)NC1(c2ccccc2F)CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000012188384 494211343 /nfs/dbraw/zinc/21/13/43/494211343.db2.gz MYDPVRSWJLBRSM-HXUWFJFHSA-N 1 0 374.431 3.126 40 0 FGABRO COc1ccccc1[C@]1(O)CCC[N@H+](C[C@@H](O)c2ccc3c(c2)CCC3)C1 ZINC000012292580 494220056 /nfs/dbraw/zinc/22/00/56/494220056.db2.gz WLTDFPCOGHSCOJ-GGAORHGYSA-N 1 0 367.489 3.201 40 0 FGABRO COc1ccc(C[NH+]2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)cc1 ZINC000012337360 494225461 /nfs/dbraw/zinc/22/54/61/494225461.db2.gz SJWAPWLKHPUAEC-UHFFFAOYSA-N 1 0 365.437 3.223 40 0 FGABRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cc1c(C)oc2c1C(=O)CC(C)(C)C2 ZINC000012362814 494226777 /nfs/dbraw/zinc/22/67/77/494226777.db2.gz YAWJAMWIEJBPAN-OAHLLOKOSA-N 1 0 360.498 3.276 40 0 FGABRO Cc1ccc2c(c1)CN(C(=O)CCc1ccccc1)[C@H](C[NH+](C)C)CO2 ZINC000012406637 494229770 /nfs/dbraw/zinc/22/97/70/494229770.db2.gz BABHTGHUOVDXPU-HXUWFJFHSA-N 1 0 352.478 3.279 40 0 FGABRO Cc1ccn(C[C@@H](C)[NH2+]Cc2cc(-c3ccc(Cl)cc3)c[nH]c2=O)n1 ZINC000012670746 494249306 /nfs/dbraw/zinc/24/93/06/494249306.db2.gz PQNRHYLQKZDPEH-CQSZACIVSA-N 1 0 356.857 3.379 40 0 FGABRO COc1ccc2c(c1)C=C(C[N@@H+]1CC[C@H]3[C@H]1CCCCCN3C(C)=O)CO2 ZINC000019712172 494455840 /nfs/dbraw/zinc/45/58/40/494455840.db2.gz WXEXFIBOJWTMKF-RTWAWAEBSA-N 1 0 370.493 3.336 40 0 FGABRO Cn1nccc1C[N@@H+]1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccccc1F ZINC000019713108 494456348 /nfs/dbraw/zinc/45/63/48/494456348.db2.gz NFGJJNUEPNXAHU-UXHICEINSA-N 1 0 370.472 3.105 40 0 FGABRO C[NH+](C)CCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 ZINC000046724190 494556960 /nfs/dbraw/zinc/55/69/60/494556960.db2.gz VRXPTDFEAFEIHA-UHFFFAOYSA-N 1 0 368.477 3.314 40 0 FGABRO O=C1N(C[C@H]2CCCO2)c2ccccc2C12CC[NH+](Cc1ccco1)CC2 ZINC000109754237 494914260 /nfs/dbraw/zinc/91/42/60/494914260.db2.gz MGOZBLFOQYYEPH-GOSISDBHSA-N 1 0 366.461 3.339 40 0 FGABRO Cc1ccsc1C[N@@H+]1CC[C@H]2C[C@@H](C(=O)Nc3cccnc3)O[C@@H]2C1 ZINC000096043072 494998593 /nfs/dbraw/zinc/99/85/93/494998593.db2.gz SUCXTXDTVQHTOX-BHYGNILZSA-N 1 0 357.479 3.070 40 0 FGABRO CCn1cc(C[N@@H+]2C[C@@H]3CCC[C@](O)(c4ccc(F)cc4)[C@H]3C2)c(C)n1 ZINC000248046940 496947209 /nfs/dbraw/zinc/94/72/09/496947209.db2.gz VUTKKGDZKVMGFB-NDXORKPFSA-N 1 0 357.473 3.470 40 0 FGABRO Cc1c2ccccc2oc1C(=O)N1Cc2ccnn2[C@@H](CC[NH+](C)C)C1 ZINC000248138300 496961397 /nfs/dbraw/zinc/96/13/97/496961397.db2.gz SJNOPSZKCWUUQW-INIZCTEOSA-N 1 0 352.438 3.087 40 0 FGABRO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1cc(Cl)ccc1OC ZINC000222896761 497029575 /nfs/dbraw/zinc/02/95/75/497029575.db2.gz RNTRTQHSNOVVIB-OAHLLOKOSA-N 1 0 374.934 3.282 40 0 FGABRO O=C1N(Cc2ccc(F)cc2)[C@@H](c2ccccc2)[C@H](O)CC12CC[NH2+]CC2 ZINC000257241268 497395306 /nfs/dbraw/zinc/39/53/06/497395306.db2.gz HXJLVFGFNRLGLM-UXHICEINSA-N 1 0 368.452 3.030 40 0 FGABRO COc1ccc(NC(=S)NCCC[N@@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC000260735489 497406643 /nfs/dbraw/zinc/40/66/43/497406643.db2.gz JDWZYVCPVXGEIZ-AWEZNQCLSA-N 1 0 351.516 3.112 40 0 FGABRO C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000333330152 498980889 /nfs/dbraw/zinc/98/08/89/498980889.db2.gz WBOVMJQNKKNZCX-GLJUWKHASA-N 1 0 356.445 3.095 40 0 FGABRO Cc1ccsc1C[N@H+]1Cc2cccn2C[C@@H](CC(=O)NCC2CC2)C1 ZINC000585099001 507566907 /nfs/dbraw/zinc/56/69/07/507566907.db2.gz AJAMKVMODURMQO-KRWDZBQOSA-N 1 0 357.523 3.406 40 0 FGABRO Cc1ccc(CN2CC3(C2)C[C@H](COCc2ccncc2)CC[N@H+]3C)o1 ZINC000585102826 507568092 /nfs/dbraw/zinc/56/80/92/507568092.db2.gz JBJXIFDQSZCBHM-LJQANCHMSA-N 1 0 355.482 3.096 40 0 FGABRO O=C(c1cc(Cl)ccc1F)N1CCC[C@@]2(CC[N@@H+]2C[C@H]2CCCO2)C1 ZINC000585101832 507568976 /nfs/dbraw/zinc/56/89/76/507568976.db2.gz IKFISZCAJDJKJL-DNVCBOLYSA-N 1 0 366.864 3.339 40 0 FGABRO Fc1ccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4cccnc4)C2)OC3)cc1 ZINC000306137223 534454528 /nfs/dbraw/zinc/45/45/28/534454528.db2.gz QPRFBYLMJLAYBH-NRFANRHFSA-N 1 0 364.424 3.259 40 0 FGABRO CCNc1nc(C)c(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@H+](C)C3)s1 ZINC000257341675 528441225 /nfs/dbraw/zinc/44/12/25/528441225.db2.gz ZLKCUGNRDIWBJK-QCUYGVNKSA-N 1 0 362.543 3.361 40 0 FGABRO Cc1cccc(Cl)c1Nc1cc(C2CC2)nc(NCCC[NH+](C)C)n1 ZINC000329029751 210131369 /nfs/dbraw/zinc/13/13/69/210131369.db2.gz QATQLKSXIZXWAU-UHFFFAOYSA-N 1 0 359.905 3.267 40 0 FGABRO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3ccsc3)C[C@H]2N1Cc1ccccn1 ZINC000306138742 210055971 /nfs/dbraw/zinc/05/59/71/210055971.db2.gz SGFHTLQATKTBJO-RTBURBONSA-N 1 0 364.474 3.026 40 0 FGABRO CN1CCN(Cc2ccoc2)C[C@H]1c1cn2c(cccc2N2CCCC2)n1 ZINC000306140086 210055793 /nfs/dbraw/zinc/05/57/93/210055793.db2.gz UJQAOCKOVXUHSU-IBGZPJMESA-N 1 0 365.481 3.016 40 0 FGABRO c1ccc(CN2C[C@]3(CC[N@H+](Cc4ccncc4)C3)c3ncccc32)nc1 ZINC000306145048 210060525 /nfs/dbraw/zinc/06/05/25/210060525.db2.gz ZWBQWKFXPCZHJN-JOCHJYFZSA-N 1 0 357.461 3.036 40 0 FGABRO c1csc(C[NH2+][C@H]2CCc3nc(NCc4ccccc4)ncc3C2)n1 ZINC000306129527 210051019 /nfs/dbraw/zinc/05/10/19/210051019.db2.gz IGDCPDAUGRBRTK-INIZCTEOSA-N 1 0 351.479 3.192 40 0 FGABRO Cc1cccc(C[N@@H+]2CC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)n1 ZINC000306124243 210049777 /nfs/dbraw/zinc/04/97/77/210049777.db2.gz BKKCQDSPNFDOIA-LJQANCHMSA-N 1 0 370.460 3.484 40 0 FGABRO c1cc2n(n1)C[C@H](C[NH+]1CCCC1)CN(Cc1ccc3ccccc3n1)C2 ZINC000306125952 210048789 /nfs/dbraw/zinc/04/87/89/210048789.db2.gz DGXKXJXNQHCZCQ-GOSISDBHSA-N 1 0 361.493 3.159 40 0 FGABRO c1ccc(C[NH+]2CCN(Cc3cnc([C@@H]4CCCCO4)nc3)CC2)cc1 ZINC000257220577 223024855 /nfs/dbraw/zinc/02/48/55/223024855.db2.gz DLGWWXJLDMHVHK-FQEVSTJZSA-N 1 0 352.482 3.036 40 0 FGABRO Cc1ncsc1C[N@H+]1CCC[C@@H](c2nc(C)cc(-c3nccn3C)n2)C1 ZINC000257227864 223029692 /nfs/dbraw/zinc/02/96/92/223029692.db2.gz FRGWSSCCQGFTND-OAHLLOKOSA-N 1 0 368.510 3.330 40 0 FGABRO Cc1nc2sccn2c1C[NH+]1CCC(c2ccnc3ccnn32)CC1 ZINC000257263247 223043002 /nfs/dbraw/zinc/04/30/02/223043002.db2.gz LPAFRJDRDPAEET-UHFFFAOYSA-N 1 0 352.467 3.127 40 0 FGABRO C[NH+](C)Cc1cc([C@@H]2CCCN2C(=O)CCOc2ccccc2)ccn1 ZINC000257299331 223056672 /nfs/dbraw/zinc/05/66/72/223056672.db2.gz RPOZQWBTUHJODF-FQEVSTJZSA-N 1 0 353.466 3.276 40 0 FGABRO COc1ccc2c(c1)C=C(CN(CCC[NH+](C)C)Cc1ccccn1)CO2 ZINC000013990762 220101342 /nfs/dbraw/zinc/10/13/42/220101342.db2.gz KSIKCBPSHSMCKS-UHFFFAOYSA-N 1 0 367.493 3.320 40 0 FGABRO CN(C(=O)OCc1ccccc1)[C@H](C[N@@H+]1CC[C@H](O)C1)c1ccc(F)cc1 ZINC000044137872 211797558 /nfs/dbraw/zinc/79/75/58/211797558.db2.gz CANMXLMXAXKRII-VQTJNVASSA-N 1 0 372.440 3.202 40 0 FGABRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000030551611 211522914 /nfs/dbraw/zinc/52/29/14/211522914.db2.gz CLTOTAZSPSZOJM-UHFFFAOYSA-N 1 0 366.461 3.374 40 0 FGABRO C[NH+](C)[C@H](CNC(=O)C1(c2ccccc2)CCOCC1)c1ccccc1 ZINC000038628581 211444023 /nfs/dbraw/zinc/44/40/23/211444023.db2.gz MGFFJCUWCJKARW-HXUWFJFHSA-N 1 0 352.478 3.154 40 0 FGABRO CC(C)c1nnc(CC(=O)Nc2cccc(C[N@@H+]3CCCC[C@@H]3C)c2)[nH]1 ZINC000019718453 211251223 /nfs/dbraw/zinc/25/12/23/211251223.db2.gz IASUWCMESKWSBO-HNNXBMFYSA-N 1 0 355.486 3.484 40 0 FGABRO C[NH2+]C1CCC2(CC1)CN(C(=O)c1ccccn1)Cc1ccccc1O2 ZINC000019592007 211240919 /nfs/dbraw/zinc/24/09/19/211240919.db2.gz CAWMUKYCZOVRPL-UHFFFAOYSA-N 1 0 351.450 3.017 40 0 FGABRO COCC(=O)N1CCC(c2[nH+]c3ccccn3c2NC2CCCC2)CC1 ZINC000019592736 211241269 /nfs/dbraw/zinc/24/12/69/211241269.db2.gz ZTGREQIOLMWVPK-UHFFFAOYSA-N 1 0 356.470 3.041 40 0 FGABRO C[C@@H](Cn1cc(Cl)cn1)C(=O)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000019457338 211223232 /nfs/dbraw/zinc/22/32/32/211223232.db2.gz YTWXHFUONUQYLR-RDJZCZTQSA-N 1 0 352.910 3.040 40 0 FGABRO Cc1cc(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3CC2)c(C)s1 ZINC000019567990 211234779 /nfs/dbraw/zinc/23/47/79/211234779.db2.gz RPYLELIMTQKFTO-UHFFFAOYSA-N 1 0 366.490 3.111 40 0 FGABRO Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(C[NH2+]CCc3ccco3)cc12 ZINC000019565289 211234167 /nfs/dbraw/zinc/23/41/67/211234167.db2.gz FVQRACCCSBWYCD-UHFFFAOYSA-N 1 0 366.396 3.087 40 0 FGABRO Cc1nc2ccccn2c1C[N@@H+]1C[C@@H](c2ccccc2)[C@]2(C1)CCCC(=O)N2 ZINC000019555011 211230644 /nfs/dbraw/zinc/23/06/44/211230644.db2.gz CVHJBPGJRPWEIY-WMZHIEFXSA-N 1 0 374.488 3.281 40 0 FGABRO Cc1nccn1C[C@H](C)C(=O)NC1(C[NH+]2CCC(C)CC2)CCCCC1 ZINC000019287756 211211945 /nfs/dbraw/zinc/21/19/45/211211945.db2.gz AEYAPZFHTMSYPR-SFHVURJKSA-N 1 0 360.546 3.379 40 0 FGABRO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C2)cc1OC ZINC000019237714 211209667 /nfs/dbraw/zinc/20/96/67/211209667.db2.gz HFHUVBGTTNBFTC-SVMVAKDDSA-N 1 0 368.477 3.137 40 0 FGABRO Clc1ccc(C[N@@H+]2CCC[C@H](Cn3nnc(-c4cccnc4)n3)C2)cc1 ZINC000019341583 211216932 /nfs/dbraw/zinc/21/69/32/211216932.db2.gz SNJCSECZZHFTON-INIZCTEOSA-N 1 0 368.872 3.301 40 0 FGABRO O=c1cc(-c2ccncc2)nc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)[nH]1 ZINC000019334058 211216352 /nfs/dbraw/zinc/21/63/52/211216352.db2.gz UTZQJQHDFKYZDK-KRWDZBQOSA-N 1 0 364.424 3.351 40 0 FGABRO Cc1ccc(C(=O)Nc2ccccc2C[NH+]2CCCCCC2)c(=O)n1C ZINC000019131878 211204906 /nfs/dbraw/zinc/20/49/06/211204906.db2.gz XMWQRYCPKKYSOE-UHFFFAOYSA-N 1 0 353.466 3.322 40 0 FGABRO O=S(=O)(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000015360755 211128206 /nfs/dbraw/zinc/12/82/06/211128206.db2.gz AKWDTPKCNYIDMY-UHFFFAOYSA-N 1 0 362.470 3.290 40 0 FGABRO C[NH+](C)[C@@H](CNC(=O)C1(c2ccccc2F)CC1)c1ccc2c(c1)OCO2 ZINC000012203719 210929640 /nfs/dbraw/zinc/92/96/40/210929640.db2.gz BEYXSIQTTACUKO-KRWDZBQOSA-N 1 0 370.424 3.005 40 0 FGABRO COc1ccc(O[C@H](C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000011714580 210892378 /nfs/dbraw/zinc/89/23/78/210892378.db2.gz FIVYXVWWYKUINR-QGZVFWFLSA-N 1 0 368.477 3.375 40 0 FGABRO O=C(CSCc1ccccc1Br)NCCC[NH+]1CCCC1 ZINC000010450013 210872732 /nfs/dbraw/zinc/87/27/32/210872732.db2.gz QOGBPLSXHDBPPG-UHFFFAOYSA-N 1 0 371.344 3.284 40 0 FGABRO COc1cccc(-c2cc(C(=O)N3CCC[C@]4(C)[NH2+]CCC[C@@H]34)on2)c1 ZINC000257301701 533368226 /nfs/dbraw/zinc/36/82/26/533368226.db2.gz RZMUZAMNEONHBY-QUCCMNQESA-N 1 0 355.438 3.097 40 0 FGABRO COc1cccc(C[NH+]2CCC3(CCN(c4ncccn4)CC3)CC2)c1 ZINC000096158416 132221087 /nfs/dbraw/zinc/22/10/87/132221087.db2.gz YPRPRQIBJLEJDV-UHFFFAOYSA-N 1 0 352.482 3.368 40 0 FGABRO CC(C)c1cc(N2CCc3cc(Cl)ccc3C2)nc(N[C@H](C)CO)[nH+]1 ZINC000329064503 132373082 /nfs/dbraw/zinc/37/30/82/132373082.db2.gz XKLGPIIFHBQZFA-CYBMUJFWSA-N 1 0 360.889 3.031 40 0 FGABRO Cc1csc(C[NH+]2CCC3(CO[C@@H](COc4ccccn4)C3)CC2)n1 ZINC000096106232 222024714 /nfs/dbraw/zinc/02/47/14/222024714.db2.gz LQEUSQRKTKSAIO-MRXNPFEDSA-N 1 0 359.495 3.297 40 0 FGABRO Cc1nc(CO[C@H]2COC3(C2)CC[NH+](Cc2cccnc2)CC3)cs1 ZINC000096106798 222025609 /nfs/dbraw/zinc/02/56/09/222025609.db2.gz PEKJBZOHBVPERI-GOSISDBHSA-N 1 0 359.495 3.187 40 0 FGABRO COc1ccc2c(c1)nc1n2[C@@H](C[NH2+]Cc2cnc3ccccc3c2)COC1 ZINC000096112675 222030165 /nfs/dbraw/zinc/03/01/65/222030165.db2.gz KMEWRISBXHUIRV-KRWDZBQOSA-N 1 0 374.444 3.454 40 0 biogenic,in-vitro FGABRO FC1(F)CC[N@H+](CC2CCOCC2)C[C@@]12CCN(c1ccccn1)C2 ZINC000096051162 222001686 /nfs/dbraw/zinc/00/16/86/222001686.db2.gz MJPXJLUGIYQJES-GOSISDBHSA-N 1 0 351.441 3.046 40 0 FGABRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1nccs1)CC2 ZINC000096051792 222002665 /nfs/dbraw/zinc/00/26/65/222002665.db2.gz KQVKXZXULUHXTN-SFHVURJKSA-N 1 0 372.538 3.041 40 0 FGABRO O=C(C[C@H]1CC2(CC[NH+](CC3CC3)CC2)Oc2ccccc21)NC1CC1 ZINC000096053451 222003716 /nfs/dbraw/zinc/00/37/16/222003716.db2.gz CWNMULPZNTXCQN-KRWDZBQOSA-N 1 0 354.494 3.466 40 0 FGABRO Cc1ccc(C[N@H+]2Cc3ccnn3C[C@@H](COCc3ccccn3)C2)s1 ZINC000096059248 222007735 /nfs/dbraw/zinc/00/77/35/222007735.db2.gz LAUNVFSZYZHAQC-KRWDZBQOSA-N 1 0 368.506 3.497 40 0 FGABRO COCCN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](Cc1ccco1)CC2 ZINC000096061337 222007927 /nfs/dbraw/zinc/00/79/27/222007927.db2.gz WTFDWZTXVIPGNL-HXUWFJFHSA-N 1 0 368.477 3.277 40 0 FGABRO Cc1noc(C)c1CN1CCOC[C@@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000096062399 222009512 /nfs/dbraw/zinc/00/95/12/222009512.db2.gz OKXHOKGTJVQQHC-LJQANCHMSA-N 1 0 361.511 3.077 40 0 FGABRO O=C(c1cccc2cccnc21)N1CCC2(C[C@H]([NH+]3CCCC3)CO2)CC1 ZINC000096074142 222012610 /nfs/dbraw/zinc/01/26/10/222012610.db2.gz ISHDMRMDSIPHLO-SFHVURJKSA-N 1 0 365.477 3.094 40 0 FGABRO Cc1cccc(S(=O)(=O)N2Cc3ccccc3C3(CC[NH+](C)CC3)C2)c1 ZINC000096242391 222096932 /nfs/dbraw/zinc/09/69/32/222096932.db2.gz ZSUANYFOQUFBND-UHFFFAOYSA-N 1 0 370.518 3.163 40 0 FGABRO CC(C)CC[N@@H+]1CCc2cc(C(=O)N(C)C)c(NCC3CC3)nc2CC1 ZINC000096260584 222103507 /nfs/dbraw/zinc/10/35/07/222103507.db2.gz WNLVTGJBHWPAFA-UHFFFAOYSA-N 1 0 358.530 3.052 40 0 FGABRO CCC[N@@H+]1CC[C@@]2(C1)c1ccccc1S(=O)(=O)N2Cc1ccccc1 ZINC000096143110 222046845 /nfs/dbraw/zinc/04/68/45/222046845.db2.gz FLTXCXBGMUDNMP-HXUWFJFHSA-N 1 0 356.491 3.202 40 0 FGABRO CN(C)C(=O)C[C@H]1CC2(CC[NH+](C[C@H]3CCOC3)CC2)c2ccccc21 ZINC000096161238 222062189 /nfs/dbraw/zinc/06/21/89/222062189.db2.gz QWAHALJEOWKBDK-MSOLQXFVSA-N 1 0 356.510 3.022 40 0 FGABRO O=C(Cc1ccsc1)N1CC[C@]2(C1)CCC[N@H+](CC1CCOCC1)C2 ZINC000096215442 222080799 /nfs/dbraw/zinc/08/07/99/222080799.db2.gz LETBDPCLGNISFC-HXUWFJFHSA-N 1 0 362.539 3.032 40 0 FGABRO Cc1noc(C)c1C[NH+]1CCC2(CCC(=O)N2Cc2ccccc2)CC1 ZINC000096228239 222089958 /nfs/dbraw/zinc/08/99/58/222089958.db2.gz MULOGRGBNPACRC-UHFFFAOYSA-N 1 0 353.466 3.449 40 0 FGABRO [NH3+]C[C@H]1CC[C@H]([C@H](NC(=O)Cc2cccc(F)c2)c2ccccn2)CC1 ZINC000100749998 222251435 /nfs/dbraw/zinc/25/14/35/222251435.db2.gz YRPPMPPGADEFAZ-XPIZARPCSA-N 1 0 355.457 3.386 40 0 FGABRO O=C(CSCc1ccc(Br)cc1)NCCC[NH+]1CCCC1 ZINC000010450027 263365739 /nfs/dbraw/zinc/36/57/39/263365739.db2.gz JOHAMTZSOBIBNH-UHFFFAOYSA-N 1 0 371.344 3.284 40 0 FGABRO COc1ccc(CCNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000039749261 263399257 /nfs/dbraw/zinc/39/92/57/263399257.db2.gz QARKAVMDGZCEAW-UHFFFAOYSA-N 1 0 370.468 3.405 40 0 FGABRO C[N@H+]1C[C@H]2CCC[C@@H](C1)C2OC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000001488561 493795307 /nfs/dbraw/zinc/79/53/07/493795307.db2.gz OCKCTOZWEUYWBW-HTZLVSCSSA-N 1 0 365.473 3.196 40 0 FGABRO Cc1ccccc1OC[C@H](O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000029589822 493845850 /nfs/dbraw/zinc/84/58/50/493845850.db2.gz ZDDFFRJBIPXMRV-LJQANCHMSA-N 1 0 360.885 3.210 40 0 FGABRO Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000029589820 493845895 /nfs/dbraw/zinc/84/58/95/493845895.db2.gz ZDDFFRJBIPXMRV-IBGZPJMESA-N 1 0 360.885 3.210 40 0 FGABRO Oc1ccc(CC[NH2+]Cc2cc3c(cc2Br)OCO3)cc1 ZINC000031719558 493957553 /nfs/dbraw/zinc/95/75/53/493957553.db2.gz QZNVRCIXEYLABT-UHFFFAOYSA-N 1 0 350.212 3.216 40 0 in-vitro FGABRO O=C(C[NH+]1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1)NC1CCCC1 ZINC000035291789 494073894 /nfs/dbraw/zinc/07/38/94/494073894.db2.gz JZIDAXLBLUQVGW-UHFFFAOYSA-N 1 0 360.889 3.455 40 0 FGABRO Cc1ccccc1Cc1cccc(C2CCN(C(=O)C[NH+](C)C)CC2)n1 ZINC000072350116 494155581 /nfs/dbraw/zinc/15/55/81/494155581.db2.gz VGQLKDPQRUWZMN-UHFFFAOYSA-N 1 0 351.494 3.248 40 0 FGABRO Cc1ccc(-c2cccc(C[C@@]3(C(=O)NC(C)C)C[NH2+]CCO3)c2)cc1 ZINC000072389360 494162510 /nfs/dbraw/zinc/16/25/10/494162510.db2.gz FQAZKAHONSZZFS-QFIPXVFZSA-N 1 0 352.478 3.088 40 0 FGABRO C[C@@H]1CCC[N@H+](Cc2c3cccnc3n(CC(=O)N(C)C)c2C2CC2)C1 ZINC000072395395 494163761 /nfs/dbraw/zinc/16/37/61/494163761.db2.gz OMXNLQNFCJWKJB-OAHLLOKOSA-N 1 0 354.498 3.234 40 0 FGABRO O=C1NC[C@@]2(CCC[N@H+](CCCOc3ccccc3)C2)Oc2ccccc21 ZINC000012087284 494202331 /nfs/dbraw/zinc/20/23/31/494202331.db2.gz ILYSKFULPLYKFE-JOCHJYFZSA-N 1 0 366.461 3.113 40 0 FGABRO CC(C)C(=O)N[C@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000012089230 494203544 /nfs/dbraw/zinc/20/35/44/494203544.db2.gz KWTNRZXSRYNGQH-SJORKVTESA-N 1 0 358.511 3.264 40 0 FGABRO O=C(N[C@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2ccncc2)C1)C1CC1 ZINC000012088839 494203939 /nfs/dbraw/zinc/20/39/39/494203939.db2.gz GMMVPSDXOXWZHS-SJORKVTESA-N 1 0 356.495 3.018 40 0 FGABRO CC(=O)N1Cc2cc(C)ccc2OC2(CC[NH+](Cc3ccncc3)CC2)C1 ZINC000012133564 494207088 /nfs/dbraw/zinc/20/70/88/494207088.db2.gz FORRVGRFDLZHKC-UHFFFAOYSA-N 1 0 365.477 3.166 40 0 FGABRO CC1CC[NH+](CCCNCc2cc(-c3ccccc3)cn3nnnc23)CC1 ZINC000012224206 494216095 /nfs/dbraw/zinc/21/60/95/494216095.db2.gz QHLIYTVMZAEQPI-UHFFFAOYSA-N 1 0 364.497 3.003 40 0 FGABRO COc1cc2c(cc1OC)[C@H](C)[N@@H+]([C@@H]1CCCN(C(=O)C(C)C)C1)CC2 ZINC000012232938 494216254 /nfs/dbraw/zinc/21/62/54/494216254.db2.gz BBANAOAFNNVANU-DOTOQJQBSA-N 1 0 360.498 3.270 40 0 FGABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)Cc2ccccc2Cl)C1 ZINC000013674994 494292406 /nfs/dbraw/zinc/29/24/06/494292406.db2.gz UDZUYLAPGIFGQW-HUUCEWRRSA-N 1 0 358.935 3.127 40 0 FGABRO FC(F)(F)c1ccc2c(c1)ncc(Br)c2N1CC[NH2+]CC1 ZINC000044628731 494370299 /nfs/dbraw/zinc/37/02/99/494370299.db2.gz YTXYEWOQYJBJDF-UHFFFAOYSA-N 1 0 360.177 3.426 40 0 FGABRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1[C@@H]2CCCC[C@@H]2[C@@H]1c1ccccc1 ZINC000019456335 494444743 /nfs/dbraw/zinc/44/47/43/494444743.db2.gz AEXHWJTVSJBTBQ-VLQCVTHLSA-N 1 0 356.510 3.043 40 0 FGABRO Cc1c(CN2[C@H](Cc3ccccc3)C[C@@H]3[NH2+]CCCCC[C@H]32)cnn1C ZINC000019712910 494455801 /nfs/dbraw/zinc/45/58/01/494455801.db2.gz DHDVLABAYJDSQP-BHIFYINESA-N 1 0 352.526 3.446 40 0 FGABRO CN(C)CC(=O)N1[C@H](Cc2ccccc2)C[C@@]2(C)[C@@H]1CCCCC[N@@H+]2C ZINC000019713479 494456206 /nfs/dbraw/zinc/45/62/06/494456206.db2.gz UYJBPQNGHHOJQT-URVUXULASA-N 1 0 357.542 3.025 40 0 FGABRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000019717114 494457245 /nfs/dbraw/zinc/45/72/45/494457245.db2.gz HBGRXRJODYPIBS-UHFFFAOYSA-N 1 0 365.477 3.371 40 0 FGABRO Cc1ccc(C[NH+]2CCC3(CC2)C[C@@H](NC(=O)C2CC2)CCO3)cc1C ZINC000108526854 494730470 /nfs/dbraw/zinc/73/04/70/494730470.db2.gz VJTOSAANLFHPHO-FQEVSTJZSA-N 1 0 356.510 3.343 40 0 FGABRO COc1ccc(N2C(=O)C[C@H]([NH2+]Cc3cccc4ccccc43)C2=O)cc1 ZINC000109003120 494820216 /nfs/dbraw/zinc/82/02/16/494820216.db2.gz SMHLSKKCDRMLRI-FQEVSTJZSA-N 1 0 360.413 3.270 40 0 FGABRO c1cncc(COC[C@]23CCCO[C@@H]2CC[N@H+](Cc2cccnc2)C3)c1 ZINC000096040100 494997373 /nfs/dbraw/zinc/99/73/73/494997373.db2.gz OXJBSEONSREVAP-NHCUHLMSSA-N 1 0 353.466 3.065 40 0 FGABRO COC[C@@H]1CN(C(=O)c2ccsc2)CC12CC[NH+](CC1CCC1)CC2 ZINC000247882924 496924668 /nfs/dbraw/zinc/92/46/68/496924668.db2.gz QORLDNBGUKOWLU-SFHVURJKSA-N 1 0 362.539 3.349 40 0 FGABRO Cc1cc(C(=O)N2CC3(C2)CC[C@H](C[N@@H+](C)Cc2ccco2)CO3)c(C)o1 ZINC000248085956 496954257 /nfs/dbraw/zinc/95/42/57/496954257.db2.gz DNHWSJSMPKFMTL-QGZVFWFLSA-N 1 0 372.465 3.243 40 0 FGABRO Cc1ccsc1C(=O)N1CC2(C1)CC[C@@H](C[N@@H+](C)Cc1ccco1)CO2 ZINC000248116095 496955212 /nfs/dbraw/zinc/95/52/12/496955212.db2.gz LPQFOEAHEMUHAX-INIZCTEOSA-N 1 0 374.506 3.403 40 0 FGABRO Brc1ccc(-c2ccc3nnc([C@@H]4CCCC[NH2+]4)n3n2)cc1 ZINC000217563873 496998242 /nfs/dbraw/zinc/99/82/42/496998242.db2.gz PRYIADISPJUMLE-AWEZNQCLSA-N 1 0 358.243 3.368 40 0 FGABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C(C)(C)C)c1 ZINC000223262609 497034625 /nfs/dbraw/zinc/03/46/25/497034625.db2.gz XJTSCTYIYWHIQW-QZTJIDSGSA-N 1 0 371.554 3.172 40 0 FGABRO c1cc(COCC[C@H]2CCOC23CC[NH+](CC2CCOCC2)CC3)ccn1 ZINC000253477195 497334755 /nfs/dbraw/zinc/33/47/55/497334755.db2.gz DKZCJHWHZCODLC-NRFANRHFSA-N 1 0 374.525 3.286 40 0 FGABRO CN(CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@H+](C)C2)Cc1ccccc1F ZINC000257320135 497401728 /nfs/dbraw/zinc/40/17/28/497401728.db2.gz VVMYQSXPRXJGCJ-ZJDLJICXSA-N 1 0 373.516 3.121 40 0 FGABRO CCOC(=O)C1CCN(C(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)CC1 ZINC000408710396 499594268 /nfs/dbraw/zinc/59/42/68/499594268.db2.gz GDYYOJNADRQALF-UHFFFAOYSA-N 1 0 372.509 3.009 40 0 FGABRO c1cc2n(c1)C[C@H](CCNc1ccccn1)C[N@@H+](CC1CCOCC1)C2 ZINC000585095308 507566677 /nfs/dbraw/zinc/56/66/77/507566677.db2.gz ORHPRBKXWFQEQX-LJQANCHMSA-N 1 0 354.498 3.244 40 0 FGABRO CC(=O)N1C[C@H](COCC2CC2)C2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC000585103186 507568993 /nfs/dbraw/zinc/56/89/93/507568993.db2.gz LZLJUOQZDJFBFO-LJQANCHMSA-N 1 0 362.539 3.235 40 0 FGABRO CCc1ccccc1C(=O)N1CCC2(CO[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000585105319 507571962 /nfs/dbraw/zinc/57/19/62/507571962.db2.gz SYOIEHOHNVBPIP-LJQANCHMSA-N 1 0 356.510 3.356 40 0 FGABRO O=C(N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](CC3CCCCC3)C[C@@H]21)C1CC(O)C1 ZINC000585109606 507574527 /nfs/dbraw/zinc/57/45/27/507574527.db2.gz CZFJPEIGHLMVAA-VJWFBQCVSA-N 1 0 368.521 3.224 40 0 FGABRO CCOCCOc1ccc(C[N@H+](C)C[C@@H](O)COC2CCCCC2)cc1 ZINC000585270275 507582438 /nfs/dbraw/zinc/58/24/38/507582438.db2.gz SHLQWUKFHUSELT-LJQANCHMSA-N 1 0 365.514 3.244 40 0 FGABRO Cc1ccc2cc(C[NH2+]C[C@@H](O)COc3c(C)cccc3C)c(=O)[nH]c2c1 ZINC000585284518 507584598 /nfs/dbraw/zinc/58/45/98/507584598.db2.gz LQEJMDGTPGEBLD-LJQANCHMSA-N 1 0 366.461 3.395 40 0 FGABRO Cc1ccc(OC[C@@H](O)C[NH2+]Cc2cc3ccc(C)cc3[nH]c2=O)c(C)c1 ZINC000585282994 507584854 /nfs/dbraw/zinc/58/48/54/507584854.db2.gz AKUJQTUZWLBXEE-IBGZPJMESA-N 1 0 366.461 3.395 40 0 FGABRO Cc1nc([C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)cc2c[nH+]cn21 ZINC000257206131 534558415 /nfs/dbraw/zinc/55/84/15/534558415.db2.gz BBZSWZBLFIRWRG-MRXNPFEDSA-N 1 0 352.413 3.126 40 0 FGABRO Cc1cccc(C(=O)N2CC[N@@H+](C)C[C@@H](Cc3cccc4cccnc43)C2)n1 ZINC000257224080 534593923 /nfs/dbraw/zinc/59/39/23/534593923.db2.gz FAFHNQXLXXIHPI-GOSISDBHSA-N 1 0 374.488 3.185 40 0 FGABRO COc1cc(OC)c(OC)cc1CN1CC[NH+](C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019789268 522822243 /nfs/dbraw/zinc/82/22/43/522822243.db2.gz LGLXDKDKXSRHFV-SQNIBIBYSA-N 1 0 372.509 3.042 40 0 FGABRO CC1(C(=O)N2CC[NH2+]C[C@H](Cc3ccnc4cccnc34)C2)CCCCC1 ZINC000257260769 528849577 /nfs/dbraw/zinc/84/95/77/528849577.db2.gz LEGPGLWXPQQWQO-KRWDZBQOSA-N 1 0 366.509 3.191 40 0 FGABRO C[N@H+](Cc1cnc[nH]1)[C@@H]1CC[C@@]2(C)C[C@H](c3ccccc3)C[C@](C)(O2)[C@H]1O ZINC000257325985 529974784 /nfs/dbraw/zinc/97/47/84/529974784.db2.gz WVHJZTZASQRXRC-KVEDYDLGSA-N 1 0 369.509 3.476 40 0 FGABRO CCOC[C@@H]1CC[N@H+](CC2CC2)C2(CN(C(=O)c3ccccc3F)C2)C1 ZINC000306137414 210056316 /nfs/dbraw/zinc/05/63/16/210056316.db2.gz QVQRLNCNNOWOSI-QGZVFWFLSA-N 1 0 360.473 3.179 40 0 FGABRO COc1ccc([C@H]2COC3(CCN(C(=O)OC(C)(C)C)CC3)C[NH2+]2)cc1 ZINC000306145453 210059825 /nfs/dbraw/zinc/05/98/25/210059825.db2.gz FRORXIFIMBLZJY-QGZVFWFLSA-N 1 0 362.470 3.126 40 0 FGABRO COc1cccc(CNc2[nH+]cc(-c3ccc4c(c3)OCO4)n2C)c1OC ZINC000000819129 219326002 /nfs/dbraw/zinc/32/60/02/219326002.db2.gz VJMSKLTZAGTRAG-UHFFFAOYSA-N 1 0 367.405 3.445 40 0 FGABRO O=c1c2ccccc2nc(SCC[NH+]2CCCCC2)n1C[C@H]1CCCO1 ZINC000000933526 219341942 /nfs/dbraw/zinc/34/19/42/219341942.db2.gz WHHAMHIESPDCNL-MRXNPFEDSA-N 1 0 373.522 3.154 40 0 FGABRO CC1CC[NH+](CCCNC(=S)Nc2cccc(N3CCCC3=O)c2)CC1 ZINC000225437651 222840986 /nfs/dbraw/zinc/84/09/86/222840986.db2.gz VKYDHXKELNLTAJ-UHFFFAOYSA-N 1 0 374.554 3.222 40 0 FGABRO C[NH+](C)CC[C@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)Cc2ccnn21 ZINC000248148175 222963456 /nfs/dbraw/zinc/96/34/56/222963456.db2.gz WOBIPRZQGKAHBU-INIZCTEOSA-N 1 0 372.856 3.432 40 0 FGABRO Cc1nc([C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)cc2c[nH+]cn21 ZINC000257206130 223018672 /nfs/dbraw/zinc/01/86/72/223018672.db2.gz BBZSWZBLFIRWRG-INIZCTEOSA-N 1 0 352.413 3.126 40 0 FGABRO CN(C)C(=O)c1cnn2c1nccc2[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000257214020 223022452 /nfs/dbraw/zinc/02/24/52/223022452.db2.gz CKEPSHGPDFRAQF-SFHVURJKSA-N 1 0 363.465 3.158 40 0 FGABRO Cn1cc(C[NH+]2CCC3(CC2)Oc2c(O)cccc2[C@H]2OCCC[C@@H]23)cn1 ZINC000257214204 223023187 /nfs/dbraw/zinc/02/31/87/223023187.db2.gz CLALPOKRUUPBBC-PKOBYXMFSA-N 1 0 369.465 3.021 40 0 FGABRO C[C@]12CCCN(C(=O)c3cccnc3-c3cncs3)[C@H]1CCCC[NH2+]2 ZINC000257215414 223024206 /nfs/dbraw/zinc/02/42/06/223024206.db2.gz CPZQNZSSAUQTSU-LPHOPBHVSA-N 1 0 356.495 3.342 40 0 FGABRO O=C(C[NH+]1CCCC1)N1CCC[C@@H]1c1ncc(Cc2ccccc2F)o1 ZINC000257312905 223062117 /nfs/dbraw/zinc/06/21/17/223062117.db2.gz UQDOLLQBUURTEU-GOSISDBHSA-N 1 0 357.429 3.164 40 0 FGABRO CN(C)C(=O)c1cnc(C2(C)CC[NH+](CCc3ccccc3)CC2)s1 ZINC000257315486 223063224 /nfs/dbraw/zinc/06/32/24/223063224.db2.gz VBPGXTIIWHGIPQ-UHFFFAOYSA-N 1 0 357.523 3.441 40 0 FGABRO Cn1nccc1C(=O)N1[C@H](Cc2ccccc2)C[C@]2(C)[NH2+]CCCCC[C@H]12 ZINC000257343746 223073243 /nfs/dbraw/zinc/07/32/43/223073243.db2.gz ZUGDMHIOHZEPGR-CBQOVEMMSA-N 1 0 366.509 3.168 40 0 FGABRO C[C@H]1CCC[N@H+](CCCNC(=O)COc2cccc(C(F)(F)F)c2)C1 ZINC000058955114 212014695 /nfs/dbraw/zinc/01/46/95/212014695.db2.gz SVUIIHYJGKSGOH-AWEZNQCLSA-N 1 0 358.404 3.322 40 0 FGABRO COc1ccc(CC[NH2+]Cc2cc3cc(C)ccc3[nH]c2=O)cc1OC ZINC000013998961 220101765 /nfs/dbraw/zinc/10/17/65/220101765.db2.gz KRZOCFSNJQYYOS-UHFFFAOYSA-N 1 0 352.434 3.186 40 0 FGABRO COc1ccc(-c2cc(C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)on2)cc1 ZINC000019718920 211250388 /nfs/dbraw/zinc/25/03/88/211250388.db2.gz YZBARBCLJUDFGC-MRXNPFEDSA-N 1 0 355.438 3.051 40 0 FGABRO C[N@@H+]1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)CCn1cccn1 ZINC000019590184 211237724 /nfs/dbraw/zinc/23/77/24/211237724.db2.gz OUIBYPQAYXBZLZ-KCZVDYSFSA-N 1 0 366.509 3.142 40 0 FGABRO COc1ccccc1CN(Cc1cccnc1N(C)C)C1CC[NH+](C)CC1 ZINC000019714044 211247472 /nfs/dbraw/zinc/24/74/72/211247472.db2.gz BOVRTGKHRSZOKE-UHFFFAOYSA-N 1 0 368.525 3.253 40 0 FGABRO COCc1c(C)onc1C(=O)NCC1([NH+]2CCCCC2)CCC(C)CC1 ZINC000019666830 211245602 /nfs/dbraw/zinc/24/56/02/211245602.db2.gz YWUQMKXQDTVESI-UHFFFAOYSA-N 1 0 363.502 3.294 40 0 FGABRO Cn1c2ccccc2nc1C[N@@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000019656991 211241970 /nfs/dbraw/zinc/24/19/70/211241970.db2.gz NFUOJOOYMLVJGR-KRWDZBQOSA-N 1 0 354.498 3.188 40 0 FGABRO COc1cc2[nH]c(C(=O)N[C@H](C)C[NH+]3CCCCCC3)cc2c(OC)c1 ZINC000019456149 211223197 /nfs/dbraw/zinc/22/31/97/211223197.db2.gz BHAZPSGCCAVKKW-CQSZACIVSA-N 1 0 359.470 3.179 40 0 FGABRO CCOC(=O)C1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CC[NH+](CC)CC1 ZINC000019527039 211228100 /nfs/dbraw/zinc/22/81/00/211228100.db2.gz IGWWRNVBKRBFRR-KRWDZBQOSA-N 1 0 362.445 3.374 40 0 FGABRO COc1ccc(C[N@@H+]2C[C@@H](c3cccc(C)n3)[C@]3(C2)CCCC(=O)N3)cc1 ZINC000019236368 211210564 /nfs/dbraw/zinc/21/05/64/211210564.db2.gz JVQUXSHLPJUGID-SIKLNZKXSA-N 1 0 365.477 3.037 40 0 FGABRO O=c1cc(-c2cccnc2)nc(C2CC[NH+](Cc3cccc(F)c3)CC2)[nH]1 ZINC000019293811 211213728 /nfs/dbraw/zinc/21/37/28/211213728.db2.gz GRJWVDRTQWQKIX-UHFFFAOYSA-N 1 0 364.424 3.351 40 0 FGABRO CCOc1cc(C[NH2+][C@H](C)c2ccccc2)c(Cl)cc1OCC(N)=O ZINC000036612934 211126143 /nfs/dbraw/zinc/12/61/43/211126143.db2.gz FZIPBKMZGIZFKE-CYBMUJFWSA-N 1 0 362.857 3.454 40 0 FGABRO CCC(C)(C)n1nnnc1[C@@H](CC(C)C)N1CC[NH+](C2CCCC2)CC1 ZINC000019499521 220263966 /nfs/dbraw/zinc/26/39/66/220263966.db2.gz YQEHKTOZHCRAFF-GOSISDBHSA-N 1 0 362.566 3.466 40 0 FGABRO O=c1cc(C2CC[NH+](Cc3ccccc3F)CC2)nc(-c2cnccn2)[nH]1 ZINC000013266963 211028068 /nfs/dbraw/zinc/02/80/68/211028068.db2.gz WNOFFNNLZCFHJW-UHFFFAOYSA-N 1 0 365.412 3.158 40 0 FGABRO CC[NH+](CC)CCOC(=O)[C@](O)(c1ccccc1)c1cc(C)ccc1C ZINC000001710830 210367861 /nfs/dbraw/zinc/36/78/61/210367861.db2.gz ZHWURNQSWYLVPL-QFIPXVFZSA-N 1 0 355.478 3.424 40 0 FGABRO COc1cccc(CCNC(=O)c2ncccc2-c2cccc(C[NH3+])c2)c1 ZINC000257212569 533465388 /nfs/dbraw/zinc/46/53/88/533465388.db2.gz CDZIWCKPMPAPOZ-UHFFFAOYSA-N 1 0 361.445 3.188 40 0 FGABRO Cc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)nc(NCc2ccccc2)[nH+]1 ZINC000329007191 132372370 /nfs/dbraw/zinc/37/23/70/132372370.db2.gz LIIIALLLQPZMHT-QGZVFWFLSA-N 1 0 374.488 3.435 40 0 FGABRO COc1ccc(C[NH+]2CCC3(C[C@@H](Oc4ccccn4)CO3)CC2)cc1 ZINC000096106959 222027113 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3.246 40 0 FGABRO C[NH+](C)CCCNc1nc(Nc2c(F)cccc2Cl)cc(C2CC2)n1 ZINC000328957087 210124506 /nfs/dbraw/zinc/12/45/06/210124506.db2.gz AJDFOYCSMUSERB-UHFFFAOYSA-N 1 0 363.868 3.098 40 0 FGABRO c1cncc(C[N@@H+]2CC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 ZINC000306144077 210057224 /nfs/dbraw/zinc/05/72/24/210057224.db2.gz YVOUIPPHRBSXTM-LJQANCHMSA-N 1 0 356.433 3.176 40 0 FGABRO Cc1occc1C(=O)N1CC2(C1)C[C@H](COCC1CC1)CC[N@@H+]2CC1CC1 ZINC000306137846 210055691 /nfs/dbraw/zinc/05/56/91/210055691.db2.gz RHWVSJHJCCNOOG-LJQANCHMSA-N 1 0 372.509 3.331 40 0 FGABRO Fc1cccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4cccnc4)C2)OC3)c1 ZINC000306123946 210049287 /nfs/dbraw/zinc/04/92/87/210049287.db2.gz BBEBWAYOXMRRCW-NRFANRHFSA-N 1 0 364.424 3.259 40 0 FGABRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(Cn2ccnc2)cc1 ZINC000060626476 212023518 /nfs/dbraw/zinc/02/35/18/212023518.db2.gz ZMIKWBYZZDIJRP-UHFFFAOYSA-N 1 0 374.488 3.110 40 0 FGABRO Cc1cccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ccc(F)cc3)n2)c1 ZINC000015674375 220158827 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357.429 3.133 40 0 FGABRO COc1ccc2c(c1)OCC(C[N@@H+]1CC[C@@](O)(c3ccc(C)cc3)C1)=C2 ZINC000019715758 211248894 /nfs/dbraw/zinc/24/88/94/211248894.db2.gz MLFAGNFDGIPYEK-QFIPXVFZSA-N 1 0 351.446 3.373 40 0 FGABRO CCc1nc2ccccc2n1[C@@H](C)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000019666271 211245621 /nfs/dbraw/zinc/24/56/21/211245621.db2.gz FEKOCYUMHYXNHY-INIZCTEOSA-N 1 0 356.514 3.350 40 0 FGABRO CC(C)c1nc2c(nnn2C[C@H]2CCC[N@H+](Cc3cccs3)C2)c(=O)[nH]1 ZINC000019453799 211224158 /nfs/dbraw/zinc/22/41/58/211224158.db2.gz WFNNNFOLTKWTQY-ZDUSSCGKSA-N 1 0 372.498 3.024 40 0 FGABRO COc1ccc(C[N@@H+]2CCC[C@H](c3cc(=O)nc4n3CCC4)C2)c(C)c1C ZINC000019577359 211235280 /nfs/dbraw/zinc/23/52/80/211235280.db2.gz FEGDWTLJORPNSZ-SFHVURJKSA-N 1 0 367.493 3.195 40 0 FGABRO CC[NH+]1CCC2(CC1)c1[nH]c3ccc(OC)cc3c1CCN2C(=O)C1CC1 ZINC000019527067 211227945 /nfs/dbraw/zinc/22/79/45/211227945.db2.gz UWLFGHOQMCJUMH-UHFFFAOYSA-N 1 0 367.493 3.282 40 0 FGABRO O=c1cc(-c2ccccn2)nc([C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)[nH]1 ZINC000019402439 211220701 /nfs/dbraw/zinc/22/07/01/211220701.db2.gz WSCVFVLNQQNLMK-MRXNPFEDSA-N 1 0 364.424 3.351 40 0 FGABRO CC(C)(C)c1cc(CN2CC[NH+](CCCO)CC2)cc(C(C)(C)C)c1O ZINC000019204035 211206684 /nfs/dbraw/zinc/20/66/84/211206684.db2.gz GUQBNVMLVCUDAE-UHFFFAOYSA-N 1 0 362.558 3.487 40 0 FGABRO Cc1ccc([C@@]2(O)CC[C@@H]3C[N@@H+](Cc4ccc5c(c4)C[C@H](C)O5)C[C@@H]32)nc1 ZINC000019216130 211205324 /nfs/dbraw/zinc/20/53/24/211205324.db2.gz YCKBCEYCRKRPFO-KZHMMYNISA-N 1 0 364.489 3.443 40 0 FGABRO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccc(Br)c1 ZINC000017466990 211186707 /nfs/dbraw/zinc/18/67/07/211186707.db2.gz KBULQBFCVZUFBT-ZBFHGGJFSA-N 1 0 351.288 3.443 40 0 FGABRO COc1ccc(Oc2nccnc2C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000257242193 533036148 /nfs/dbraw/zinc/03/61/48/533036148.db2.gz IBLXPVJWAVARLR-MRXNPFEDSA-N 1 0 355.438 3.246 40 0 FGABRO CNc1ncccc1C[NH+]1CCC(CCc2ccnc(NC(C)=O)c2)CC1 ZINC000257236969 533088802 /nfs/dbraw/zinc/08/88/02/533088802.db2.gz HEQDAGLTVFBLDM-UHFFFAOYSA-N 1 0 367.497 3.322 40 0 FGABRO Cc1cccc(CCN2C(=O)CCc3c(C)nc([C@H]4CCC[NH2+]C4)nc32)c1 ZINC000257232552 132295157 /nfs/dbraw/zinc/29/51/57/132295157.db2.gz GLIWUDVRHYWDRD-SFHVURJKSA-N 1 0 364.493 3.082 40 0 FGABRO CC(C)c1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc(NC2CC2)[nH+]1 ZINC000329031279 132372924 /nfs/dbraw/zinc/37/29/24/132372924.db2.gz QIGGAPZRRHHZQI-AWEZNQCLSA-N 1 0 352.482 3.212 40 0 FGABRO Cc1ccc(N2CC[NH+](CCCNC(=S)Nc3ccccc3)CC2)cc1 ZINC000001561596 132382143 /nfs/dbraw/zinc/38/21/43/132382143.db2.gz VRDZHYDOSKCRFI-UHFFFAOYSA-N 1 0 368.550 3.494 40 0 FGABRO Cc1ccc(C)c(N2CC[NH+](C[C@H](O)c3ccc4c(c3)CCO4)CC2)c1 ZINC000057823043 136130235 /nfs/dbraw/zinc/13/02/35/136130235.db2.gz AMRCOSSJZWAMIY-NRFANRHFSA-N 1 0 352.478 3.094 40 0 FGABRO Cc1nc(COC[C@@]23CCO[C@@H]2CC[N@H+](Cc2ccncc2)C3)cs1 ZINC000096110403 222027989 /nfs/dbraw/zinc/02/79/89/222027989.db2.gz IDXOAPKPDPFCCJ-MOPGFXCFSA-N 1 0 359.495 3.044 40 0 FGABRO Cn1cc(C[NH+]2CCC3(CCN(C(=O)c4ccsc4)CC3)CC2)cn1 ZINC000096047270 221998756 /nfs/dbraw/zinc/99/87/56/221998756.db2.gz XTYSFMPZPAXLKP-UHFFFAOYSA-N 1 0 358.511 3.000 40 0 FGABRO COc1ccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4ccncc4)C3=O)C2)cc1 ZINC000096048663 221999212 /nfs/dbraw/zinc/99/92/12/221999212.db2.gz PZNUNHMQWGDSHP-JOCHJYFZSA-N 1 0 365.477 3.105 40 0 FGABRO Fc1ccc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccnc2)C3)cc1 ZINC000096049554 222000704 /nfs/dbraw/zinc/00/07/04/222000704.db2.gz NQOGOMSMSKNGOZ-OAQYLSRUSA-N 1 0 355.457 3.340 40 0 FGABRO CNC(=O)C[C@H]1CC2(CC[NH+](Cc3ccccn3)CC2)Oc2ccccc21 ZINC000096053262 222002500 /nfs/dbraw/zinc/00/25/00/222002500.db2.gz JKQWAQPSWZCWLT-KRWDZBQOSA-N 1 0 365.477 3.119 40 0 FGABRO CN(C)C(=O)[C@H]1OC2(CC[NH+](Cc3ccsc3)CC2)c2ccccc21 ZINC000096058369 222008041 /nfs/dbraw/zinc/00/80/41/222008041.db2.gz RKNNJAQLWQRLNN-SFHVURJKSA-N 1 0 356.491 3.399 40 0 FGABRO CC(C)n1c2cc(C(=O)N3CCC[N@H+](C)CC3)n(C)c2c2ccccc21 ZINC000096146406 222049212 /nfs/dbraw/zinc/04/92/12/222049212.db2.gz IDLUYRVCNBXBOD-UHFFFAOYSA-N 1 0 352.482 3.492 40 0 FGABRO Cc1nc(CO[C@@H]2COC3(C2)CC[NH+](Cc2ccccn2)CC3)cs1 ZINC000096206277 222076714 /nfs/dbraw/zinc/07/67/14/222076714.db2.gz SWTWAFVZDCRHTB-SFHVURJKSA-N 1 0 359.495 3.187 40 0 FGABRO O=C(N[C@H]1CCO[C@]2(CC[N@H+](Cc3ccsc3)C2)C1)c1ccccc1 ZINC000096208285 222078667 /nfs/dbraw/zinc/07/86/67/222078667.db2.gz GLSRILFUASFUSD-AZUAARDMSA-N 1 0 356.491 3.302 40 0 FGABRO C[N@@H+]1C[C@H](COCc2ccccn2)[C@]2(CCN(Cc3cccs3)C2)C1 ZINC000096220199 222084050 /nfs/dbraw/zinc/08/40/50/222084050.db2.gz USACSPZLWATONC-YLJYHZDGSA-N 1 0 357.523 3.114 40 0 FGABRO O=C(N[C@H]1COC2(C1)CC[NH+](Cc1cccs1)CC2)c1cccs1 ZINC000096221219 222085927 /nfs/dbraw/zinc/08/59/27/222085927.db2.gz AMEJWOHRNZDBEA-CQSZACIVSA-N 1 0 362.520 3.363 40 0 FGABRO Cn1cncc1C[NH+]1CCC2(CC1)c1ccccc1N(c1ccoc1)C2=O ZINC000106796836 222387674 /nfs/dbraw/zinc/38/76/74/222387674.db2.gz KSISVZOAUAGKQJ-UHFFFAOYSA-N 1 0 362.433 3.225 40 0 FGABRO O[C@@H]1C[C@@](C[NH2+]Cc2cccc(Cl)c2)(COc2ccccc2)C[C@@H]1O ZINC000107430311 222393356 /nfs/dbraw/zinc/39/33/56/222393356.db2.gz AYUIEWAXGREMNN-ACDBMABISA-N 1 0 361.869 3.011 40 0 biogenic,in-vitro FGABRO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)CO[C@H]2CCC[C@H]2C)CC1 ZINC000012414249 263370875 /nfs/dbraw/zinc/37/08/75/263370875.db2.gz ASGBNDDPSCZXIH-KPFFTGBYSA-N 1 0 366.933 3.337 40 0 FGABRO Cc1cc(C)n(-c2cccc(CN(CC[NH+](C)C)Cc3cccnc3)c2)n1 ZINC000019574780 263374290 /nfs/dbraw/zinc/37/42/90/263374290.db2.gz ULZOGHAKNCMXSF-UHFFFAOYSA-N 1 0 363.509 3.448 40 0 FGABRO C[C@H](O)C[NH2+]CCNCc1cc(Cl)ccc1OCc1ccccc1F ZINC000022075845 263385550 /nfs/dbraw/zinc/38/55/50/263385550.db2.gz VTQSXVWTKBHNCY-AWEZNQCLSA-N 1 0 366.864 3.118 40 0 FGABRO Cc1ccc(N2CC[NH+](C[C@@H](O)COc3ccccc3Cl)CC2)cc1 ZINC000031671546 493954816 /nfs/dbraw/zinc/95/48/16/493954816.db2.gz XWBQUFMPQWNAMO-GOSISDBHSA-N 1 0 360.885 3.210 40 0 FGABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)COc2ccccc2)cc1 ZINC000006629867 493971024 /nfs/dbraw/zinc/97/10/24/493971024.db2.gz HCDSVZYAVUJXQD-UHFFFAOYSA-N 1 0 371.506 3.420 40 0 FGABRO COc1cc2c(cc1OC)[C@H](c1cc3c(C)ccc(C)c3[nH]c1=O)[NH2+]CC2 ZINC000035316183 494075557 /nfs/dbraw/zinc/07/55/57/494075557.db2.gz BCMIUYFHCIPIJU-OAQYLSRUSA-N 1 0 364.445 3.397 40 0 FGABRO NC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000009063265 494114133 /nfs/dbraw/zinc/11/41/33/494114133.db2.gz CMUZYYVDLPSOPY-UHFFFAOYSA-N 1 0 371.868 3.290 40 0 FGABRO COCCOc1ccc(C[N@@H+]2C[C@H]3ON=C(c4cccc(C)c4)[C@@H]3C2)cc1 ZINC000072343246 494155099 /nfs/dbraw/zinc/15/50/99/494155099.db2.gz ZJGKHUBLIFQSFF-NHCUHLMSSA-N 1 0 366.461 3.255 40 0 FGABRO COc1ccccc1-c1cccc([C@H]2CCCN(C(=O)C[NH+](C)C)C2)n1 ZINC000072350108 494155619 /nfs/dbraw/zinc/15/56/19/494155619.db2.gz KBSVWJJLLCZKPR-INIZCTEOSA-N 1 0 353.466 3.025 40 0 FGABRO CN(C)C(=O)C[N@@H+]1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000072349522 494155662 /nfs/dbraw/zinc/15/56/62/494155662.db2.gz SEFRZLGRGZXPTQ-KRWDZBQOSA-N 1 0 355.457 3.079 40 0 FGABRO C[NH+](C)CC(=O)N1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1 ZINC000072350121 494155708 /nfs/dbraw/zinc/15/57/08/494155708.db2.gz PQTKEIPIYJTSOS-UHFFFAOYSA-N 1 0 355.457 3.079 40 0 FGABRO COCC[NH+]1CCC(c2nccnc2Oc2ccc(NC(C)=O)cc2)CC1 ZINC000072361789 494158375 /nfs/dbraw/zinc/15/83/75/494158375.db2.gz SHYSPLVWMCNFRF-UHFFFAOYSA-N 1 0 370.453 3.053 40 0 FGABRO CCC(=O)N[C@H]1C[N@H+](CC(C)C)C[C@@H]1c1cn(C)c2ccc(OC)cc12 ZINC000072395739 494163970 /nfs/dbraw/zinc/16/39/70/494163970.db2.gz QKAQAYXHQLMFKT-MOPGFXCFSA-N 1 0 357.498 3.137 40 0 FGABRO Cc1nn2c(nc3c(c2NCC[NH+](C)C)CCC3)c1-c1ccc(F)cc1 ZINC000012113385 494203824 /nfs/dbraw/zinc/20/38/24/494203824.db2.gz AWJZQUTWWFHYNY-UHFFFAOYSA-N 1 0 353.445 3.306 40 0 FGABRO Cc1cc(-c2cnc(N3CC[N@@H+]4CCC[C@@H]4C3)nc2-c2cccs2)on1 ZINC000012154320 494209366 /nfs/dbraw/zinc/20/93/66/494209366.db2.gz BOGRBGYMYWSEAW-CQSZACIVSA-N 1 0 367.478 3.453 40 0 FGABRO CC[NH+]1CCN(c2ncc(-c3cc(C)no3)c(-c3ccoc3C)n2)CC1 ZINC000012251522 494216865 /nfs/dbraw/zinc/21/68/65/494216865.db2.gz SYBCKKOWSCXIKQ-UHFFFAOYSA-N 1 0 353.426 3.150 40 0 FGABRO COc1ccc(CN2Cc3ccccc3O[C@@H](C[NH+](C)C)C2)cc1OC ZINC000012407691 494230219 /nfs/dbraw/zinc/23/02/19/494230219.db2.gz BZCOURFDRGROFF-SFHVURJKSA-N 1 0 356.466 3.029 40 0 FGABRO CC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000044787018 494380920 /nfs/dbraw/zinc/38/09/20/494380920.db2.gz FJQURNWQYPFYQC-GOSISDBHSA-N 1 0 351.450 3.496 40 0 FGABRO COc1ccc(OC[C@@H](C)[NH2+]Cc2cnc(N3CCC[C@@H](C)C3)nc2)cc1 ZINC000019496655 494446283 /nfs/dbraw/zinc/44/62/83/494446283.db2.gz ARRIVEKUSOJVQK-IAGOWNOFSA-N 1 0 370.497 3.279 40 0 FGABRO Cn1cc(C(=O)N2[C@H](c3ccccc3)C[C@]3(C)[NH2+]CCCCC[C@H]23)cn1 ZINC000019713547 494455873 /nfs/dbraw/zinc/45/58/73/494455873.db2.gz WYKFIIHKVWTTQF-ZJOUEHCJSA-N 1 0 352.482 3.298 40 0 FGABRO Cc1cccc(C)c1C[NH+]1CCC2(CC1)C[C@H](NC(=O)N(C)C)CCO2 ZINC000108527157 494729488 /nfs/dbraw/zinc/72/94/88/494729488.db2.gz PFHNSFARUPDYOC-GOSISDBHSA-N 1 0 359.514 3.088 40 0 FGABRO Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 ZINC000108527024 494729903 /nfs/dbraw/zinc/72/99/03/494729903.db2.gz ZUOZIZSYKDIKFL-SFTDATJTSA-N 1 0 355.457 3.004 40 0 FGABRO Cc1cccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COc3cccnc3)C2)n1 ZINC000096039996 494997693 /nfs/dbraw/zinc/99/76/93/494997693.db2.gz FHIQVXLXVBPPRB-NHCUHLMSSA-N 1 0 353.466 3.235 40 0 FGABRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2OC(=O)[C@](O)(c1ccccc1)C1CCCC1 ZINC000146989940 495571216 /nfs/dbraw/zinc/57/12/16/495571216.db2.gz ROZOEEGFKDFEFP-CIBWYJFOSA-N 1 0 357.494 3.338 40 0 FGABRO c1ccc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOCc2ccncc2)nc1 ZINC000247910953 496926632 /nfs/dbraw/zinc/92/66/32/496926632.db2.gz YKSABPWCFZCXQJ-HXUWFJFHSA-N 1 0 367.493 3.455 40 0 FGABRO C[N@@H+]1C[C@H](COCC2CC2)C2(C1)CCN(C(=O)c1ccc(F)cc1)CC2 ZINC000248026310 496944066 /nfs/dbraw/zinc/94/40/66/496944066.db2.gz MGRSZRQDSWBLPG-GOSISDBHSA-N 1 0 360.473 3.036 40 0 FGABRO C[C@H]1CCC[N@H+](CCCNC(=S)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000225737324 497073946 /nfs/dbraw/zinc/07/39/46/497073946.db2.gz ABWLSKQSAUTCSL-INIZCTEOSA-N 1 0 374.554 3.222 40 0 FGABRO CCOC[C@@]1(C[NH3+])[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(C)cc1 ZINC000242495415 497354839 /nfs/dbraw/zinc/35/48/39/497354839.db2.gz GENZUWQEDZYTAD-NJDAHSKKSA-N 1 0 373.518 3.225 40 0 FGABRO Cc1ccc(C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c(F)c1Cl ZINC000333237236 498948085 /nfs/dbraw/zinc/94/80/85/498948085.db2.gz DFBCLBVHVAOONS-DZGCQCFKSA-N 1 0 354.853 3.146 40 0 FGABRO c1cc2n(c1)C[C@@H](CCNc1ccccn1)C[N@@H+](CC1CCOCC1)C2 ZINC000585095307 507566483 /nfs/dbraw/zinc/56/64/83/507566483.db2.gz ORHPRBKXWFQEQX-IBGZPJMESA-N 1 0 354.498 3.244 40 0 FGABRO C[N@@H+]1CC[C@@H](COCc2ccncc2)CC12CN(Cc1cccs1)C2 ZINC000585102647 507567579 /nfs/dbraw/zinc/56/75/79/507567579.db2.gz DUAQZNLYEOXHLV-GOSISDBHSA-N 1 0 357.523 3.256 40 0 FGABRO CC(=O)N1C[C@@H](COCC2CC2)C2(C1)CC[NH+](Cc1cccs1)CC2 ZINC000585102710 507568300 /nfs/dbraw/zinc/56/83/00/507568300.db2.gz BGHOJESIWFUWOK-SFHVURJKSA-N 1 0 362.539 3.235 40 0 FGABRO Cc1ccc(CN2CC3(C2)C[C@@H](COCc2ccncc2)CC[N@H+]3C)o1 ZINC000585102825 507568381 /nfs/dbraw/zinc/56/83/81/507568381.db2.gz JBJXIFDQSZCBHM-IBGZPJMESA-N 1 0 355.482 3.096 40 0 FGABRO C[N@@H+]1CC[C@H](COCc2cccnc2)CC12CN(Cc1ccsc1)C2 ZINC000585103700 507570244 /nfs/dbraw/zinc/57/02/44/507570244.db2.gz YVKOLIAHMRUWDK-KRWDZBQOSA-N 1 0 357.523 3.256 40 0 FGABRO C[C@@H]1CCC[N@H+](C[C@H]2CC3(CO2)CCN(C(=O)c2ccccc2)CC3)C1 ZINC000585104202 507571139 /nfs/dbraw/zinc/57/11/39/507571139.db2.gz MONDMLSWEQFHRZ-UYAOXDASSA-N 1 0 356.510 3.430 40 0 FGABRO CC(=O)Nc1ccc(C[NH+]2CCC(O)(COc3ccccc3F)CC2)cc1 ZINC000585270541 507582298 /nfs/dbraw/zinc/58/22/98/507582298.db2.gz MFMHYFPBHWIUSM-UHFFFAOYSA-N 1 0 372.440 3.190 40 0 FGABRO Cc1ccc(OC[C@H](O)C[NH2+]Cc2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000585283675 507583869 /nfs/dbraw/zinc/58/38/69/507583869.db2.gz GPVRTTAJIXEFNM-GOSISDBHSA-N 1 0 352.434 3.087 40 0 FGABRO Cc1cccc(OC[C@H](O)C[NH2+]Cc2cc3ccc(C)cc3[nH]c2=O)c1 ZINC000585283153 507583948 /nfs/dbraw/zinc/58/39/48/507583948.db2.gz CQWCWUWGRLGZCZ-GOSISDBHSA-N 1 0 352.434 3.087 40 0 FGABRO CC(=O)N1CCC[C@H]([NH2+]CCc2ccccn2)[C@@H]1Cc1ccc(C)cc1 ZINC000585283548 507585108 /nfs/dbraw/zinc/58/51/08/507585108.db2.gz AMNULLGQZWZCOS-VXKWHMMOSA-N 1 0 351.494 3.144 40 0 FGABRO Cc1ccc2[nH]c(=O)c(C[NH2+]C[C@H](O)COc3c(C)cccc3C)cc2c1 ZINC000585286421 507587104 /nfs/dbraw/zinc/58/71/04/507587104.db2.gz ZJOQXUIKNNFOEF-IBGZPJMESA-N 1 0 366.461 3.395 40 0 FGABRO CC(C)(C)OC(=O)N1CC([NH2+]CCc2cccc(Br)c2)C1 ZINC000090550249 518800148 /nfs/dbraw/zinc/80/01/48/518800148.db2.gz DDGAECCTDPXGRP-UHFFFAOYSA-N 1 0 355.276 3.201 40 0 FGABRO Cc1ncc(-c2cncc(CC3CC[NH+](Cc4cccnc4)CC3)n2)n1C ZINC000257283699 534722371 /nfs/dbraw/zinc/72/23/71/534722371.db2.gz OZLBICBXRSLZKC-UHFFFAOYSA-N 1 0 362.481 3.035 40 0 FGABRO CCCCc1nc(CN2CCC[C@H]2c2nc(C)ncc2C[NH+](C)C)c[nH]1 ZINC000257287167 529039315 /nfs/dbraw/zinc/03/93/15/529039315.db2.gz POUDSDXZAKULEA-SFHVURJKSA-N 1 0 356.518 3.249 40 0 FGABRO C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cc(-c3ccccc3F)n[nH]1)C2 ZINC000257208469 529832265 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FGABRO Cc1c[nH]c(-c2cc(C[C@H]3CC[N@H+](Cc4ccc(F)cc4)C3)ncn2)n1 ZINC000257272038 223044947 /nfs/dbraw/zinc/04/49/47/223044947.db2.gz NAVKAPRFOZXBNM-MRXNPFEDSA-N 1 0 351.429 3.379 40 0 FGABRO C[NH+](C)CC(=O)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257309396 223060416 /nfs/dbraw/zinc/06/04/16/223060416.db2.gz UAUKDEQQMNGFLU-HNNXBMFYSA-N 1 0 361.873 3.186 40 0 FGABRO Cc1c[nH]c(-c2cc(C)nc([C@@H]3CCC[N@H+](Cc4cncs4)C3)n2)n1 ZINC000257313834 223061786 /nfs/dbraw/zinc/06/17/86/223061786.db2.gz UUHDXPHADNDBER-CQSZACIVSA-N 1 0 354.483 3.320 40 0 FGABRO CCOC(=O)C1CCN(C(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000022514598 211353321 /nfs/dbraw/zinc/35/33/21/211353321.db2.gz GWZUSCQFRPISKA-KRWDZBQOSA-N 1 0 372.509 3.334 40 0 FGABRO C[N@@H+]1CCc2nc(C3CCN(C(=O)CCC4CCCC4)CC3)ncc2C1 ZINC000019590666 211240291 /nfs/dbraw/zinc/24/02/91/211240291.db2.gz MWIFMTRJFPCWKE-UHFFFAOYSA-N 1 0 356.514 3.141 40 0 FGABRO COc1ccc(-c2cc(C(=O)NCC(C)(C)[NH+]3CCCCC3)[nH]n2)cc1 ZINC000019660063 211241792 /nfs/dbraw/zinc/24/17/92/211241792.db2.gz VBEBYCOZNQQZCG-UHFFFAOYSA-N 1 0 356.470 3.080 40 0 FGABRO O=c1cc([C@@H]2CC[N@@H+](Cc3cccc(F)c3F)C2)nc(-c2ccccn2)[nH]1 ZINC000019402880 211221964 /nfs/dbraw/zinc/22/19/64/211221964.db2.gz YHIMURNJTRWYCE-CYBMUJFWSA-N 1 0 368.387 3.100 40 0 FGABRO Cc1nc2c(c(=O)[nH]1)CC[C@@H]1C[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]21 ZINC000019576659 211236076 /nfs/dbraw/zinc/23/60/76/211236076.db2.gz CPBJHCMHADRJNG-CJNGLKHVSA-N 1 0 363.383 3.259 40 0 FGABRO COc1ccc2c(c1)O[C@@]1(CCC[N@H+](CC3CCCCC3)C1)CNC2=O ZINC000019562892 211232757 /nfs/dbraw/zinc/23/27/57/211232757.db2.gz JNYREQRAJMJDIY-NRFANRHFSA-N 1 0 358.482 3.232 40 0 FGABRO CCc1c(C)nc([C@@H]2CCC[N@H+](Cc3ccc(OC)c(OC)c3)C2)[nH]c1=O ZINC000019521548 211225239 /nfs/dbraw/zinc/22/52/39/211225239.db2.gz OJOJJJDUMUQRPN-MRXNPFEDSA-N 1 0 371.481 3.038 40 0 FGABRO CCSc1ncc(CN2CC[NH+](CC3(c4ccccc4)CC3)CC2)cn1 ZINC000019520529 211224827 /nfs/dbraw/zinc/22/48/27/211224827.db2.gz IVFRWIKTMFBKHR-UHFFFAOYSA-N 1 0 368.550 3.438 40 0 FGABRO O=C1CC[C@@H]([NH2+]Cc2cccn2-c2cccnc2)[C@H](c2ccccc2F)N1 ZINC000019368240 211217599 /nfs/dbraw/zinc/21/75/99/211217599.db2.gz VLMIUZGHMVSGHZ-CTNGQTDRSA-N 1 0 364.424 3.121 40 0 FGABRO O=c1oc2ccc(Cl)cc2n1[C@H]1CCCN(CC[NH+]2CCCCC2)C1 ZINC000019346005 211216237 /nfs/dbraw/zinc/21/62/37/211216237.db2.gz UCDHMCNUSYMBOL-INIZCTEOSA-N 1 0 363.889 3.371 40 0 FGABRO CC[NH+]1CCN([C@H](c2nnnn2C2CCCCC2)c2ccc(C)cc2)CC1 ZINC000019527988 220268415 /nfs/dbraw/zinc/26/84/15/220268415.db2.gz KTMXUTNBVQXFDH-FQEVSTJZSA-N 1 0 368.529 3.214 40 0 FGABRO COc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1 ZINC000012329876 210943597 /nfs/dbraw/zinc/94/35/97/210943597.db2.gz SJKPVXRWVPWKOM-VQTJNVASSA-N 1 0 369.461 3.079 40 0 FGABRO CCCC[NH2+][C@@H](C(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 ZINC000001668856 210365509 /nfs/dbraw/zinc/36/55/09/210365509.db2.gz QYUZPLANQFRMCC-LJQANCHMSA-N 1 0 355.390 3.458 40 0 FGABRO Cc1nc(N2CCc3cc(Cl)ccc3C2)cc(N[C@H](CO)C(C)C)[nH+]1 ZINC000329005904 132372223 /nfs/dbraw/zinc/37/22/23/132372223.db2.gz LAKSNVXRXIQUAP-QGZVFWFLSA-N 1 0 360.889 3.430 40 0 FGABRO CC(C)c1cc(N2Cc3ccccc3C(C)(C)C2)nc(N[C@H](C)CO)[nH+]1 ZINC000329025249 132372803 /nfs/dbraw/zinc/37/28/03/132372803.db2.gz PEYKSIGQYNBKQF-OAHLLOKOSA-N 1 0 354.498 3.112 40 0 FGABRO Cc1ccc(N2CC[NH+](C[C@@H](O)c3ccc4c(c3)CCO4)CC2)c(C)c1 ZINC000057823055 136130142 /nfs/dbraw/zinc/13/01/42/136130142.db2.gz ZLEVCZOAUPBFFT-OAQYLSRUSA-N 1 0 352.478 3.094 40 0 FGABRO O[C@H](c1cccnc1)c1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000072340643 136144563 /nfs/dbraw/zinc/14/45/63/136144563.db2.gz HSQRQOAXXPSVBI-HSZRJFAPSA-N 1 0 359.473 3.486 40 0 FGABRO Cc1cccc(CO[C@H]2CO[C@@]3(CC[N@H+](CCc4ccccc4)C3)C2)n1 ZINC000096107795 222025876 /nfs/dbraw/zinc/02/58/76/222025876.db2.gz NEZWMXMLONGGQV-YADHBBJMSA-N 1 0 352.478 3.383 40 0 FGABRO Cc1ncsc1C[NH+]1CCC2(C[C@@H](OCc3ccccn3)CO2)CC1 ZINC000096106917 222026794 /nfs/dbraw/zinc/02/67/94/222026794.db2.gz SSJUWPDEXGHNOK-QGZVFWFLSA-N 1 0 359.495 3.187 40 0 FGABRO O=C1C[C@]2(CC[N@H+](Cc3cccs3)C2)CN1c1ccc2c(c1)OCO2 ZINC000096050761 222000540 /nfs/dbraw/zinc/00/05/40/222000540.db2.gz QCOAGZUBGOURBJ-IBGZPJMESA-N 1 0 356.447 3.106 40 0 FGABRO FC1(F)CC[N@H+](CC2CCOCC2)C[C@@]12CCN(c1cccnc1)C2 ZINC000096051138 222001124 /nfs/dbraw/zinc/00/11/24/222001124.db2.gz JGAUYPGUJABRDP-GOSISDBHSA-N 1 0 351.441 3.046 40 0 FGABRO Cc1noc(C)c1C[NH+]1CCC2(C[C@H](OCCO)c3ccccc32)CC1 ZINC000096079247 222015120 /nfs/dbraw/zinc/01/51/20/222015120.db2.gz KYYSBOQKOQFLQJ-FQEVSTJZSA-N 1 0 356.466 3.279 40 0 FGABRO Fc1ccc(C[N@@H+]2CCC(F)(F)[C@@]3(CCN(c4ncccn4)C3)C2)cc1 ZINC000096239708 222095008 /nfs/dbraw/zinc/09/50/08/222095008.db2.gz AWJKBXDLRRSPMW-SFHVURJKSA-N 1 0 362.399 3.353 40 0 FGABRO Cn1ccnc1CN1CCC2(C[C@@H]([NH+]3CCCC3)c3ccccc32)CC1 ZINC000096241551 222096968 /nfs/dbraw/zinc/09/69/68/222096968.db2.gz NKRYATDFDKCLJD-HXUWFJFHSA-N 1 0 350.510 3.495 40 0 FGABRO CC1=N[C@@]2(CC[C@@H]3C[N@H+](Cc4ccc(F)cc4)C[C@@H]32)C(=O)N1CC1CC1 ZINC000096261464 222104302 /nfs/dbraw/zinc/10/43/02/222104302.db2.gz XGGSPVZBNYWMKN-SLYNCCJLSA-N 1 0 355.457 3.077 40 0 FGABRO Clc1ccc(-c2cnc3n2C[C@H](C[NH2+]Cc2ccccn2)OC3)cc1 ZINC000096296367 222112266 /nfs/dbraw/zinc/11/22/66/222112266.db2.gz ZLGBZFIWRWTKCN-KRWDZBQOSA-N 1 0 354.841 3.287 40 0 biogenic,in-vitro FGABRO Cc1ccsc1C[N@@H+]1CC[C@@H]2[C@@H](CO[C@H]2Cc2nnc(C3CC3)o2)C1 ZINC000096209138 222078117 /nfs/dbraw/zinc/07/81/17/222078117.db2.gz KESMYBQSGSGTDO-OAGGEKHMSA-N 1 0 359.495 3.397 40 0 FGABRO Cc1noc(C)c1C[N@@H+]1CCC[C@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC000096209885 222079690 /nfs/dbraw/zinc/07/96/90/222079690.db2.gz SZZDARFXFAHDTA-ICSRJNTNSA-N 1 0 357.454 3.027 40 0 FGABRO Cc1ccsc1C[NH+]1CCC2(CCOC[C@H]2NC(=O)C(C)C)CC1 ZINC000096209662 222080439 /nfs/dbraw/zinc/08/04/39/222080439.db2.gz KUNSUIGPZOHQGW-QGZVFWFLSA-N 1 0 350.528 3.200 40 0 FGABRO C[N@@H+]1C[C@H](COCc2cccnc2)[C@]2(CCN(Cc3ccsc3)C2)C1 ZINC000096219859 222083414 /nfs/dbraw/zinc/08/34/14/222083414.db2.gz ZAWVYFHOYNMJJE-WOJBJXKFSA-N 1 0 357.523 3.114 40 0 FGABRO CCC[NH+]1CCC2(C[C@@H](CC(=O)N3CCOCC3)c3ccccc32)CC1 ZINC000103234618 222327631 /nfs/dbraw/zinc/32/76/31/222327631.db2.gz RKLZVMKNAOGUMN-GOSISDBHSA-N 1 0 356.510 3.166 40 0 FGABRO CC(C)OCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220663 493780148 /nfs/dbraw/zinc/78/01/48/493780148.db2.gz HYJNJIPYSOCGRM-QGZVFWFLSA-N 1 0 352.906 3.483 40 0 FGABRO COc1ccc(S[C@@H](C)C(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000048270671 493810187 /nfs/dbraw/zinc/81/01/87/493810187.db2.gz OCJYVTHWAUCTEZ-INIZCTEOSA-N 1 0 350.528 3.414 40 0 FGABRO C[C@@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)[C@@H]1CCCC[N@@H+]1C ZINC000005065141 493911468 /nfs/dbraw/zinc/91/14/68/493911468.db2.gz AYEXHPIWIMINEM-XLIONFOSSA-N 1 0 353.462 3.339 40 0 FGABRO C[C@H]1CCC[C@@H]1OC[C@H](O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000035093024 494071781 /nfs/dbraw/zinc/07/17/81/494071781.db2.gz MPHGQTBMNKPRGJ-IPELMVKDSA-N 1 0 352.906 3.028 40 0 FGABRO COCCOc1ccc(-c2noc([C@@H]3CCC[N@@H+]3CC(C)(C)C)n2)cn1 ZINC000035425429 494076605 /nfs/dbraw/zinc/07/66/05/494076605.db2.gz OXYHQGCXMAIKSN-HNNXBMFYSA-N 1 0 360.458 3.340 40 0 biogenic,in-vitro FGABRO Cc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](C[NH+]3CCC(CO)CC3)C=C2C)o1 ZINC000035442613 494077481 /nfs/dbraw/zinc/07/74/81/494077481.db2.gz GMANNNGILPFSTB-UFYCRDLUSA-N 1 0 361.530 3.479 40 0 biogenic,in-vitro FGABRO CCn1cc(C[N@@H+]2C[C@H]3CCC[C@](O)(c4ccc(F)cc4)[C@@H]3C2)c(C)n1 ZINC000072340442 494153747 /nfs/dbraw/zinc/15/37/47/494153747.db2.gz VUTKKGDZKVMGFB-HBGVWJBISA-N 1 0 357.473 3.470 40 0 FGABRO CC(=O)N1Cc2ccccc2O[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000012087204 494202200 /nfs/dbraw/zinc/20/22/00/494202200.db2.gz SDSVRXAXJVBQCC-QFIPXVFZSA-N 1 0 350.462 3.462 40 0 FGABRO COc1ncccc1-c1nc(NCC[NH+](C)C)ncc1-c1ccsc1 ZINC000012144386 494208294 /nfs/dbraw/zinc/20/82/94/494208294.db2.gz QUSQWDPJIPSGIW-UHFFFAOYSA-N 1 0 355.467 3.249 40 0 FGABRO COc1ccc(C(C)=O)cc1CC(=O)N1CCCC[C@H]1C[NH+]1CCCCC1 ZINC000012219621 494215211 /nfs/dbraw/zinc/21/52/11/494215211.db2.gz SACLZXSPJIMRPQ-FQEVSTJZSA-N 1 0 372.509 3.307 40 0 FGABRO Cc1ccc(C2(C(=O)N3Cc4ccccc4OC[C@H]3C[NH+](C)C)CC2)cc1 ZINC000012366136 494227905 /nfs/dbraw/zinc/22/79/05/494227905.db2.gz RSTMQBUPJUNJLI-HXUWFJFHSA-N 1 0 364.489 3.378 40 0 FGABRO CC(=O)Nc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000044787020 494381015 /nfs/dbraw/zinc/38/10/15/494381015.db2.gz FJQURNWQYPFYQC-SFHVURJKSA-N 1 0 351.450 3.496 40 0 FGABRO Cc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000019741464 494459035 /nfs/dbraw/zinc/45/90/35/494459035.db2.gz BXZKJHXMLDTZKT-KRWDZBQOSA-N 1 0 356.514 3.454 40 0 FGABRO Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)s1 ZINC000223211151 497033053 /nfs/dbraw/zinc/03/30/53/497033053.db2.gz TVYMFRYRUKIBJW-DLBZAZTESA-N 1 0 360.552 3.376 40 0 FGABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C(C)(C)C)c1 ZINC000223262506 497034708 /nfs/dbraw/zinc/03/47/08/497034708.db2.gz XJTSCTYIYWHIQW-MSOLQXFVSA-N 1 0 371.554 3.172 40 0 FGABRO Cc1cccc(C[NH+]2CCC(C(=O)NCCOc3ccccc3)CC2)c1 ZINC000224528205 497049552 /nfs/dbraw/zinc/04/95/52/497049552.db2.gz KSIQRORLYDYADJ-UHFFFAOYSA-N 1 0 352.478 3.402 40 0 FGABRO O=C(NCCOCc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000224525620 497050093 /nfs/dbraw/zinc/05/00/93/497050093.db2.gz XIWHQOQZBCYWPC-UHFFFAOYSA-N 1 0 352.478 3.232 40 0 FGABRO COc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224664413 497052257 /nfs/dbraw/zinc/05/22/57/497052257.db2.gz WMAPOVXKXMDYOF-UHFFFAOYSA-N 1 0 374.506 3.160 40 0 FGABRO Cc1ccc(NC(=S)NCCC[NH+]2CCCCC2)cc1N1CCCC1=O ZINC000225411230 497061186 /nfs/dbraw/zinc/06/11/86/497061186.db2.gz VLONJNOZEYYCMK-UHFFFAOYSA-N 1 0 374.554 3.284 40 0 FGABRO CCOC(=O)c1cccc(NC(=S)NCCC[NH+]2CCCCCC2)c1 ZINC000225400524 497061655 /nfs/dbraw/zinc/06/16/55/497061655.db2.gz QNUDPLSBKHREBK-UHFFFAOYSA-N 1 0 363.527 3.416 40 0 FGABRO COC(=O)c1cccc(NC(=S)NCCC[NH+]2CCC(C)CC2)c1C ZINC000225436277 497063063 /nfs/dbraw/zinc/06/30/63/497063063.db2.gz BECZWDUGCRFLCY-UHFFFAOYSA-N 1 0 363.527 3.190 40 0 FGABRO CC(C)c1cccc2c1CCN(C(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1)C2 ZINC000333297654 498971019 /nfs/dbraw/zinc/97/10/19/498971019.db2.gz POJNEZNPVUYABY-MRXNPFEDSA-N 1 0 366.509 3.209 40 0 FGABRO COc1ccc(C(=O)N2CCC[C@H]([N@@H+]3CCc4ccccc4C3)C2)cc1 ZINC000408613179 499592994 /nfs/dbraw/zinc/59/29/94/499592994.db2.gz XUZMREQUMNVBEO-FQEVSTJZSA-N 1 0 350.462 3.358 40 0 FGABRO Cc1nnsc1C(=O)N1CCC[C@@]12CCC[N@@H+](CCC(C)C)CC2 ZINC000585100596 507567882 /nfs/dbraw/zinc/56/78/82/507567882.db2.gz PFPOOZXLSNAMQV-GOSISDBHSA-N 1 0 350.532 3.353 40 0 FGABRO O=C(c1cc(Cl)ccc1F)N1CCC[C@]2(CC[N@@H+]2C[C@@H]2CCCO2)C1 ZINC000585101834 507569122 /nfs/dbraw/zinc/56/91/22/507569122.db2.gz IKFISZCAJDJKJL-KXBFYZLASA-N 1 0 366.864 3.339 40 0 FGABRO O=C(c1cnc2ccccn12)N1CC[C@@H]2[C@H](C[N@@H+]2CC2CCCCC2)C1 ZINC000585107975 507574946 /nfs/dbraw/zinc/57/49/46/507574946.db2.gz OLDYLVINEUJGNT-ZWKOTPCHSA-N 1 0 352.482 3.061 40 0 FGABRO COCC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccccc1)C[N@@H+]2Cc1ccccc1 ZINC000585176332 507580676 /nfs/dbraw/zinc/58/06/76/507580676.db2.gz SWRNBIGYSXHFKU-YPAWHYETSA-N 1 0 364.489 3.150 40 0 FGABRO Cc1ccc(C[C@H]2[C@@H](O)CCCN2C(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC000585275291 507582021 /nfs/dbraw/zinc/58/20/21/507582021.db2.gz CFECTIZKIGFXRN-SFTDATJTSA-N 1 0 358.526 3.010 40 0 FGABRO Cc1cc(O[C@@H]2C[C@@H]([NH3+])[C@H](N(C)Cc3ccccc3)[C@H]2O)cc(C(C)C)c1 ZINC000257236080 534030116 /nfs/dbraw/zinc/03/01/16/534030116.db2.gz HASACLUVVIDGED-LUKWVAJMSA-N 1 0 368.521 3.458 40 0 FGABRO CCOc1cc(CN2CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)ccc1OC ZINC000019789398 520700118 /nfs/dbraw/zinc/70/01/18/520700118.db2.gz STRVWEOMXYDPHU-YZGWKJHDSA-N 1 0 356.510 3.424 40 0 FGABRO COc1ccc2c3c1O[C@]1(C)[C@]34CC[N@@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@H](C)C2 ZINC000253504600 525618244 /nfs/dbraw/zinc/61/82/44/525618244.db2.gz HNGQYCCVBUYBHG-MUMDQCHOSA-N 1 0 367.489 3.326 40 0 biogenic,in-vitro FGABRO CC(=O)Nc1nc2nc(C3CC[NH+](Cc4ccccn4)CC3)ccc2s1 ZINC000257299378 527103334 /nfs/dbraw/zinc/10/33/34/527103334.db2.gz RPURIEPCBBXODP-UHFFFAOYSA-N 1 0 367.478 3.424 40 0 FGABRO CCNc1nc(C)c(C(=O)N2CCC[C@@]3(C)[C@@H]2CCCC[N@@H+]3C)s1 ZINC000257314600 528440834 /nfs/dbraw/zinc/44/08/34/528440834.db2.gz UXRCXASIYPCDSF-KSSFIOAISA-N 1 0 350.532 3.362 40 0 FGABRO CC1(C)NC(=[NH2+])NC(=N)N1c1cccc(CCCCOc2ccccc2)c1 ZINC000001716434 534961699 /nfs/dbraw/zinc/96/16/99/534961699.db2.gz IHIHTZZDMBOPNY-UHFFFAOYSA-N 1 0 365.481 3.274 40 0 FGABRO CC1(C)CN(C(=O)c2ccccc2F)C[C@@H]2C[N@@H+](C3CCCCC3)CCN21 ZINC000253407977 210214701 /nfs/dbraw/zinc/21/47/01/210214701.db2.gz WYWCMRHIHZKSEH-SFHVURJKSA-N 1 0 373.516 3.379 40 0 biogenic,in-vitro FGABRO Cc1cccc(C[N@@H+]2C[C@H]3[C@H](C2)N(Cc2ccccn2)C(=O)c2cccn23)c1 ZINC000306123398 210049511 /nfs/dbraw/zinc/04/95/11/210049511.db2.gz AMAWWDVYRWPEMD-VXKWHMMOSA-N 1 0 372.472 3.273 40 0 FGABRO COc1cccc(O[C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000224623594 222817117 /nfs/dbraw/zinc/81/71/17/222817117.db2.gz UISUOSGISFDSEK-KRWDZBQOSA-N 1 0 368.477 3.375 40 0 FGABRO Cc1c[nH]c(-c2nccnc2[C@@H]2CCC[N@H+](Cc3scnc3C)C2)n1 ZINC000257225174 223028419 /nfs/dbraw/zinc/02/84/19/223028419.db2.gz FFDZLHPZWJBJCL-CQSZACIVSA-N 1 0 354.483 3.320 40 0 FGABRO Cc1c[nH]c(-c2cnc(CC3CC[NH+](Cc4scnc4C)CC3)cn2)n1 ZINC000257221210 223026487 /nfs/dbraw/zinc/02/64/87/223026487.db2.gz DNYVZTGYNQAFPU-UHFFFAOYSA-N 1 0 368.510 3.395 40 0 FGABRO CCOc1ccccc1C[N@@H+]1CCC[C@H]1c1ccnc(CNC(C)=O)c1 ZINC000257235223 223032360 /nfs/dbraw/zinc/03/23/60/223032360.db2.gz GWYHJJVSUAAIRU-FQEVSTJZSA-N 1 0 353.466 3.454 40 0 FGABRO COc1cc(CN2CCC[C@H]2c2nc(C)ncc2C[NH+](C)C)ccc1F ZINC000257241813 223034641 /nfs/dbraw/zinc/03/46/41/223034641.db2.gz HZSFPPZGVUKXAQ-SFHVURJKSA-N 1 0 358.461 3.331 40 0 FGABRO Cc1noc(C)c1-c1cc(C2CC[NH+](Cc3ccn(C)n3)CC2)ccn1 ZINC000257265449 223042089 /nfs/dbraw/zinc/04/20/89/223042089.db2.gz LYSIKIIKEXGBGG-UHFFFAOYSA-N 1 0 351.454 3.467 40 0 FGABRO C[C@]12CC[N@H+](Cc3ccncc3)[C@H]1CCC(=O)N2Cc1ccccc1F ZINC000257268340 223044318 /nfs/dbraw/zinc/04/43/18/223044318.db2.gz MLGLOIMQKFWHMP-FPOVZHCZSA-N 1 0 353.441 3.376 40 0 FGABRO Cc1cccc(Nc2cnc([C@@H]3CCC[N@@H+](Cc4cncn4C)C3)cn2)n1 ZINC000257299945 223056616 /nfs/dbraw/zinc/05/66/16/223056616.db2.gz RSGWZDGKYMITGX-MRXNPFEDSA-N 1 0 363.469 3.037 40 0 FGABRO O[C@@H]1C[C@@H](c2nc(-c3ccccn3)no2)N(Cc2cc3ccccc3o2)C1 ZINC000015674218 220159751 /nfs/dbraw/zinc/15/97/51/220159751.db2.gz DBDPBRLETLUUES-PBHICJAKSA-N 1 0 362.389 3.186 40 0 biogenic,in-vitro FGABRO COc1ccccc1OCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000021637689 211318256 /nfs/dbraw/zinc/31/82/56/211318256.db2.gz LCYXZMJLIQTDQQ-UHFFFAOYSA-N 1 0 368.477 3.376 40 0 FGABRO C[N@@H+]1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)[C@@H]1CCCCO1 ZINC000019589064 211239123 /nfs/dbraw/zinc/23/91/23/211239123.db2.gz CTXYVHOQOIYLEN-WOZUAGRISA-N 1 0 356.510 3.425 40 0 FGABRO Cc1cc(C)n([C@@H](C)C(=O)NCCNc2cc(C)[nH+]c3ccccc23)n1 ZINC000019660600 211243007 /nfs/dbraw/zinc/24/30/07/211243007.db2.gz RVDPCOYHQVIZKP-INIZCTEOSA-N 1 0 351.454 3.146 40 0 FGABRO COc1cccc([C@H]2CN(C(=O)C3CC3)[C@@H]3CC[N@H+](CC4CC4)C[C@@H]32)c1 ZINC000019566319 211235988 /nfs/dbraw/zinc/23/59/88/211235988.db2.gz RBMMSIMELQCDTM-NJDAHSKKSA-N 1 0 354.494 3.132 40 0 FGABRO C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCC[N@@H+]3C[C@@H]3CCOC3)cc2N1 ZINC000019574849 211236175 /nfs/dbraw/zinc/23/61/75/211236175.db2.gz QSXDIHZYCFTLOZ-AYRXBEOTSA-N 1 0 358.408 3.364 40 0 FGABRO CNc1nc(C)c(C(=O)N2CCCC[C@@H]2C[NH+]2CCCCCC2)s1 ZINC000019560887 211233250 /nfs/dbraw/zinc/23/32/50/211233250.db2.gz ABQDTQVKBKPYFY-OAHLLOKOSA-N 1 0 350.532 3.364 40 0 FGABRO CC1CCN(C(=O)c2cc([C@H]3CCC[N@H+](Cc4ccccn4)C3)no2)CC1 ZINC000019496763 211226455 /nfs/dbraw/zinc/22/64/55/211226455.db2.gz XTXCKSZTSKCFSM-KRWDZBQOSA-N 1 0 368.481 3.321 40 0 FGABRO C[C@H]1Cc2cc(CC(=O)N3CCCC[C@@H]3CC[NH+]3CCCC3)ccc2O1 ZINC000019498090 211225837 /nfs/dbraw/zinc/22/58/37/211225837.db2.gz KGHYFKKYFSULCJ-FXAWDEMLSA-N 1 0 356.510 3.420 40 0 FGABRO Cc1cnc(-c2nnc([C@H]3CC[N@H+](Cc4ccc5ccccc5n4)C3)o2)cn1 ZINC000019239182 211208786 /nfs/dbraw/zinc/20/87/86/211208786.db2.gz KBOPSMACBGIKGP-INIZCTEOSA-N 1 0 372.432 3.373 40 0 FGABRO O=c1cc([C@H]2CC[N@@H+](Cc3cccc(F)c3F)C2)nc(-c2ccncc2)[nH]1 ZINC000019292693 211214016 /nfs/dbraw/zinc/21/40/16/211214016.db2.gz PWBMGKUSZRZHMK-AWEZNQCLSA-N 1 0 368.387 3.100 40 0 FGABRO Cc1cccc([C@@H]2C[N@H+](Cc3ccc(F)c(F)c3)C[C@]23CCCC(=O)N3)n1 ZINC000019236366 211208670 /nfs/dbraw/zinc/20/86/70/211208670.db2.gz GXNDFEZQPWUKJC-HRAATJIYSA-N 1 0 371.431 3.307 40 0 FGABRO COc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000015360752 211129577 /nfs/dbraw/zinc/12/95/77/211129577.db2.gz HKOKFGMUHRABDM-UHFFFAOYSA-N 1 0 374.506 3.160 40 0 FGABRO CC[C@@H](C)Nc1cc(N2CCc3cc(C(=O)OC)ccc3C2)nc(C)[nH+]1 ZINC000328960976 132371747 /nfs/dbraw/zinc/37/17/47/132371747.db2.gz AZVPCWNHWDWIRF-CYBMUJFWSA-N 1 0 354.454 3.345 40 0 FGABRO COc1ccccc1N1CC[NH+](CCC[C@@H](O)c2ccc(F)cc2)CC1 ZINC000002040279 132382485 /nfs/dbraw/zinc/38/24/85/132382485.db2.gz LCZRXFYSMJIDQQ-HXUWFJFHSA-N 1 0 358.457 3.470 40 0 in-man FGABRO Cc1[nH]c2cc(C)ccc2c1[C@@H](O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000019219635 136152302 /nfs/dbraw/zinc/15/23/02/136152302.db2.gz UBMVYDDGXZAUQU-IBGZPJMESA-N 1 0 350.466 3.035 40 0 FGABRO Cc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(Cc4c(C)noc4C)C3)C2)s1 ZINC000096050948 222001062 /nfs/dbraw/zinc/00/10/62/222001062.db2.gz CYBHWRGPGAVTDQ-IBGZPJMESA-N 1 0 359.495 3.286 40 0 FGABRO COc1cccc(CN2CC[C@@]3(CC[N@H+](Cc4ccsc4)C3)C2=O)c1 ZINC000096050654 222001895 /nfs/dbraw/zinc/00/18/95/222001895.db2.gz DBEYJXIPLDRXGN-HXUWFJFHSA-N 1 0 356.491 3.381 40 0 FGABRO COc1ccc(C[N@@H+]2CC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)cc1 ZINC000096050627 222001948 /nfs/dbraw/zinc/00/19/48/222001948.db2.gz XECIQHSCFKBUGL-QFIPXVFZSA-N 1 0 368.452 3.459 40 0 FGABRO Cc1noc(C)c1C[N@@H+]1CC[C@@H]2OCCC[C@]2(COc2cccnc2)C1 ZINC000096065077 222011245 /nfs/dbraw/zinc/01/12/45/222011245.db2.gz UYFFQAXTGXRTJR-VQTJNVASSA-N 1 0 357.454 3.137 40 0 FGABRO Cc1ccc(C[N@@H+]2CCc3ccc(=O)n(Cc4cccnc4)c3CC2)s1 ZINC000096086861 222017903 /nfs/dbraw/zinc/01/79/03/222017903.db2.gz QQHXOAIXYVAITP-UHFFFAOYSA-N 1 0 365.502 3.262 40 0 FGABRO CCC1=N[C@@]2(CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C(=O)N1CC1CC1 ZINC000096261633 222104161 /nfs/dbraw/zinc/10/41/61/222104161.db2.gz CBZRQLNLGBOSQF-XQBPLPMBSA-N 1 0 351.494 3.328 40 0 FGABRO O=C(c1cnccn1)N1CCCC2(CC[NH+](CC3CCCCC3)CC2)C1 ZINC000096158531 222058941 /nfs/dbraw/zinc/05/89/41/222058941.db2.gz QTNBBODKGDHYNQ-UHFFFAOYSA-N 1 0 356.514 3.375 40 0 FGABRO O=C(C[C@@H]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2O1)NCc1cccs1 ZINC000096206657 222076843 /nfs/dbraw/zinc/07/68/43/222076843.db2.gz DHVNIBZXWSQYEN-JENIJYKNSA-N 1 0 356.491 3.044 40 0 FGABRO Cc1ccc(C[N@H+]2CC[C@@]3(C[C@@H](N(C)Cc4ccccn4)CO3)C2)s1 ZINC000107226804 222392875 /nfs/dbraw/zinc/39/28/75/222392875.db2.gz VPRXMYIKZUOSJM-UYAOXDASSA-N 1 0 357.523 3.317 40 0 FGABRO COc1cccc(CN2CCN(C(=O)NCc3ccccc3)[C@@H](C)C2)c1 ZINC000019575610 263374839 /nfs/dbraw/zinc/37/48/39/263374839.db2.gz IDPWANVSTKTQRA-KRWDZBQOSA-N 1 0 353.466 3.111 40 0 FGABRO C[C@@H](O)C[NH2+]CCNCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000022075833 263385252 /nfs/dbraw/zinc/38/52/52/263385252.db2.gz LKFBJKKTRZLALC-CQSZACIVSA-N 1 0 366.864 3.118 40 0 FGABRO O=C1CCCN1CCOc1ccc(C[NH+]2CCCCC2)c2cccnc12 ZINC000059474721 493906288 /nfs/dbraw/zinc/90/62/88/493906288.db2.gz YKOOKQMDIRTOAR-UHFFFAOYSA-N 1 0 353.466 3.222 40 0 FGABRO O=C(NCC[NH+]1CCCCC1)C(O)(C1CCCCC1)C1CCCCC1 ZINC000005048136 493910491 /nfs/dbraw/zinc/91/04/91/493910491.db2.gz VRIITQUZMPYHDD-UHFFFAOYSA-N 1 0 350.547 3.480 40 0 FGABRO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(Br)cc1 ZINC000005633832 493938368 /nfs/dbraw/zinc/93/83/68/493938368.db2.gz BSMSXZZANUSLQQ-ZBFHGGJFSA-N 1 0 351.288 3.443 40 0 FGABRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(OC)cc2)cc1 ZINC000006462781 493964450 /nfs/dbraw/zinc/96/44/50/493964450.db2.gz LPJFTPBPFFZIQJ-UHFFFAOYSA-N 1 0 369.465 3.019 40 0 FGABRO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@@H+]2CC(C)(C)C)n1 ZINC000035424903 494076456 /nfs/dbraw/zinc/07/64/56/494076456.db2.gz DINDGXRBPOCIQG-HNNXBMFYSA-N 1 0 359.474 3.373 40 0 biogenic,in-vitro FGABRO Cc1cc2nc([C@H]3CCC[N@H+](Cc4cccc(F)c4F)C3)cc(N)n2n1 ZINC000072339799 494153721 /nfs/dbraw/zinc/15/37/21/494153721.db2.gz XOQHVDIJJNXRMI-ZDUSSCGKSA-N 1 0 357.408 3.278 40 0 FGABRO COc1ccccc1-c1cccc([C@H]2CCC[N@H+](CC(=O)N(C)C)C2)n1 ZINC000072349509 494155827 /nfs/dbraw/zinc/15/58/27/494155827.db2.gz QAFAZOLZVVOFPV-INIZCTEOSA-N 1 0 353.466 3.025 40 0 FGABRO Cc1cc(Oc2ccccc2)nc(C2CCN(C(=O)C(C)(C)[NH3+])CC2)n1 ZINC000072363076 494158564 /nfs/dbraw/zinc/15/85/64/494158564.db2.gz GAEQRJFCHBFMAW-UHFFFAOYSA-N 1 0 354.454 3.021 40 0 FGABRO Cc1cc(C)n(C[C@H](O)C[N@H+](Cc2ccco2)Cc2ccc(F)cc2)n1 ZINC000012185907 494211422 /nfs/dbraw/zinc/21/14/22/494211422.db2.gz OCQCFORUJFREMJ-LJQANCHMSA-N 1 0 357.429 3.295 40 0 FGABRO CC(C)Oc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)cc1 ZINC000012220279 494214879 /nfs/dbraw/zinc/21/48/79/494214879.db2.gz JXZOINWIAKWYLU-QIDMFYOTSA-N 1 0 369.509 3.327 40 0 FGABRO COc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1 ZINC000012329873 494225263 /nfs/dbraw/zinc/22/52/63/494225263.db2.gz SJKPVXRWVPWKOM-PMACEKPBSA-N 1 0 369.461 3.079 40 0 FGABRO CC[NH+](CC)CCCNS(=O)(=O)c1cc(C)c(Cl)cc1Cl ZINC000054362923 494225706 /nfs/dbraw/zinc/22/57/06/494225706.db2.gz QIFCTURNAXEIRT-UHFFFAOYSA-N 1 0 353.315 3.312 40 0 FGABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1ccccc1I)C(C)C ZINC000079421035 494450808 /nfs/dbraw/zinc/45/08/08/494450808.db2.gz GCRAHFAZBIQRET-AWEZNQCLSA-N 1 0 374.266 3.012 40 0 FGABRO O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1cccc(F)c1)C[N@@H+]2Cc1cccnc1 ZINC000019712636 494456256 /nfs/dbraw/zinc/45/62/56/494456256.db2.gz CZDIYMRBMQARTI-ZVDOUQERSA-N 1 0 353.441 3.248 40 0 FGABRO C[C@H]1CCCN(c2nc(C3CC[NH+](Cc4cccnc4)CC3)cc(=O)[nH]2)C1 ZINC000019717515 494457549 /nfs/dbraw/zinc/45/75/49/494457549.db2.gz YNAOFVRBXGGCHF-INIZCTEOSA-N 1 0 367.497 3.193 40 0 FGABRO Clc1ccc2c(c1)nccc2N1CCN([C@H]2C[NH+]3CCC2CC3)CC1 ZINC000020494342 494474585 /nfs/dbraw/zinc/47/45/85/494474585.db2.gz UHNSJAUKQWTSDS-FQEVSTJZSA-N 1 0 356.901 3.104 40 0 FGABRO Fc1ccccc1C[NH+]1CCC2(CC1)C[C@H](Nc1ncccn1)CCO2 ZINC000108534720 494731156 /nfs/dbraw/zinc/73/11/56/494731156.db2.gz DIUAOSWIKPXGAX-QGZVFWFLSA-N 1 0 356.445 3.241 40 0 FGABRO Cc1cccnc1C[N@@H+]1CCC[C@]2(CCN(CC3CCOCC3)C2=O)CC1 ZINC000108532462 494731815 /nfs/dbraw/zinc/73/18/15/494731815.db2.gz IBGXLTRSYHPCSZ-JOCHJYFZSA-N 1 0 371.525 3.021 40 0 FGABRO COc1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)cc1 ZINC000096100386 495001104 /nfs/dbraw/zinc/00/11/04/495001104.db2.gz VQJUEBUEHMVUOB-GOTSBHOMSA-N 1 0 364.489 3.460 40 0 FGABRO Cc1cc(C(=O)N2CC3(C2)OCC[C@H]3CCNc2ccccn2)c(C)o1 ZINC000247830093 496920102 /nfs/dbraw/zinc/92/01/02/496920102.db2.gz KUOUFNOKRFTEJS-MRXNPFEDSA-N 1 0 355.438 3.025 40 0 FGABRO Cc1ccccc1C(=O)N1CCC2(C[N@H+](C)C[C@@H]2COCC2CC2)CC1 ZINC000248081854 496952286 /nfs/dbraw/zinc/95/22/86/496952286.db2.gz QGFUIKNQZWBDPX-LJQANCHMSA-N 1 0 356.510 3.206 40 0 FGABRO Cc1nc2ccccc2n1[C@H](C)C(=O)N1CCN(C)C[C@H]1c1ccccc1 ZINC000248082614 496953416 /nfs/dbraw/zinc/95/34/16/496953416.db2.gz AQLZRZVJOJXQQV-IERDGZPVSA-N 1 0 362.477 3.421 40 0 FGABRO C[N@@H+](Cc1ccco1)C[C@H]1CCC2(CN(C(=O)c3ccccc3F)C2)OC1 ZINC000248110119 496955084 /nfs/dbraw/zinc/95/50/84/496955084.db2.gz KAQUESWBTISWSB-MRXNPFEDSA-N 1 0 372.440 3.172 40 0 FGABRO C[NH+](C)CC[C@H]1CN(C(=O)c2csc3ccccc23)Cc2cncn21 ZINC000248137370 496962148 /nfs/dbraw/zinc/96/21/48/496962148.db2.gz RZZTYRKDWQEYQD-AWEZNQCLSA-N 1 0 354.479 3.247 40 0 FGABRO COC(=O)c1cccc(NC(=S)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000225729748 497072633 /nfs/dbraw/zinc/07/26/33/497072633.db2.gz XAEHFFSMHXPOQL-HUUCEWRRSA-N 1 0 363.527 3.128 40 0 FGABRO C[NH+](C)CCCNc1nc(NC[C@H]2CCCO2)cc(-c2ccccc2)n1 ZINC000243330379 497358314 /nfs/dbraw/zinc/35/83/14/497358314.db2.gz LOMQBLGGFQCHHD-QGZVFWFLSA-N 1 0 355.486 3.098 40 0 FGABRO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)c1ccncc1Br ZINC000262049030 497499084 /nfs/dbraw/zinc/49/90/84/497499084.db2.gz MJUXQBYHOVTIIU-UHFFFAOYSA-N 1 0 367.272 3.020 40 0 FGABRO c1cncc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOc2cccnc2)c1 ZINC000585104753 507569869 /nfs/dbraw/zinc/56/98/69/507569869.db2.gz MAJSJWSCRAUGMD-IBGZPJMESA-N 1 0 353.466 3.317 40 0 FGABRO C[C@@H](c1ccccc1)N1C[C@]2(CC1=O)COCC[N@H+](Cc1ccccc1)C2 ZINC000585105033 507570331 /nfs/dbraw/zinc/57/03/31/507570331.db2.gz YWLPSBFEKCPUKP-WMZHIEFXSA-N 1 0 364.489 3.499 40 0 FGABRO O[C@H]1C[N@H+](Cc2ccc(OCCF)cc2)C[C@@H]1Oc1cccc(Cl)c1 ZINC000585268704 507582199 /nfs/dbraw/zinc/58/21/99/507582199.db2.gz HWZFLEICTXSOFB-OALUTQOASA-N 1 0 365.832 3.312 40 0 FGABRO CC(=O)Nc1ccc(C[NH+]2CCC(O)(COc3ccc(F)cc3)CC2)cc1 ZINC000585272711 507582705 /nfs/dbraw/zinc/58/27/05/507582705.db2.gz PSMTZWJCNSXAIS-UHFFFAOYSA-N 1 0 372.440 3.190 40 0 FGABRO O[C@H]1[C@H](Oc2cccc(F)c2)CCC[C@@H]1[NH2+]CCc1ccc2c(c1)OCO2 ZINC000585289705 507586155 /nfs/dbraw/zinc/58/61/55/507586155.db2.gz MFTIRKHTFWUNOY-FBBABVLZSA-N 1 0 373.424 3.048 40 0 FGABRO COc1ccc(N2CN(CCC[NH+](C)C)CN=C2c2ccccc2)cc1 ZINC000038784194 536707242 /nfs/dbraw/zinc/70/72/42/536707242.db2.gz AUEOEBLULBYXRS-UHFFFAOYSA-N 1 0 352.482 3.131 40 0 FGABRO C[C@@]1(O)CC[N@H+](Cc2cccs2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 ZINC000514289963 560030983 /nfs/dbraw/zinc/03/09/83/560030983.db2.gz QTELTSFVFKSHAT-IRFCIJBXSA-N 1 0 370.518 3.341 40 0 biogenic,in-vitro FGABRO [NH3+][C@@H](CO)CCCCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000521825361 571277906 /nfs/dbraw/zinc/27/79/06/571277906.db2.gz HJRZNPYDRQZGER-OAHLLOKOSA-N 1 0 354.450 3.015 40 0 FGABRO CC[C@H](C)CNC(=O)c1nc(-c2ccn(CC[NH+](C)C)c2)n2ccccc12 ZINC000306138990 529667360 /nfs/dbraw/zinc/66/73/60/529667360.db2.gz SMODLBHODHCURM-INIZCTEOSA-N 1 0 367.497 3.140 40 0 FGABRO COc1ccc(NC(=S)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1OC ZINC000225727548 222863914 /nfs/dbraw/zinc/86/39/14/222863914.db2.gz OTLZASMVNSZFEP-HUUCEWRRSA-N 1 0 365.543 3.358 40 0 FGABRO O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@@H+](CC2CCCCC2)C1)C1CC1 ZINC000004236215 291073486 /nfs/dbraw/zinc/07/34/86/291073486.db2.gz MBSATXZCKZVAEF-FUHWJXTLSA-N 1 0 369.509 3.196 40 0 biogenic,in-vitro FGABRO O=C(CC1CCCCC1)N1CC[NH2+]C[C@H](Cc2ccnc3cccnc23)C1 ZINC000257210103 223019899 /nfs/dbraw/zinc/01/98/99/223019899.db2.gz BTENXQVQGWREBJ-SFHVURJKSA-N 1 0 366.509 3.191 40 0 FGABRO COCCC(=O)N1CCC(c2cc(Nc3ccccn3)cc(C)[nH+]2)CC1 ZINC000257212104 223020978 /nfs/dbraw/zinc/02/09/78/223020978.db2.gz CBYXXEGMMADNHT-UHFFFAOYSA-N 1 0 354.454 3.271 40 0 FGABRO Cc1c[nH]c(-c2cncc(CC3CC[NH+](Cc4cncs4)CC3)n2)n1 ZINC000257230432 223028868 /nfs/dbraw/zinc/02/88/68/223028868.db2.gz GCHFEESIWRHGJJ-UHFFFAOYSA-N 1 0 354.483 3.086 40 0 FGABRO Cc1ncsc1C[N@@H+]1CCC[C@H](c2nccnc2Nc2cnccn2)C1 ZINC000257264337 223042977 /nfs/dbraw/zinc/04/29/77/223042977.db2.gz LTYMRAKRTDQTKY-AWEZNQCLSA-N 1 0 367.482 3.155 40 0 FGABRO Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000006787542 219770327 /nfs/dbraw/zinc/77/03/27/219770327.db2.gz GOKFYDFNDAVBLV-LLVKDONJSA-N 1 0 360.424 3.197 40 0 FGABRO Cc1cc(C)nc(Nc2nccnc2[C@H]2CCC[N@@H+]2CC2CCOCC2)n1 ZINC000257309513 223060466 /nfs/dbraw/zinc/06/04/66/223060466.db2.gz UBFKMHOVHKGEPN-QGZVFWFLSA-N 1 0 368.485 3.191 40 0 FGABRO Cc1csc(Nc2nccnc2[C@H]2CCC[N@H+](Cc3c[nH]nc3C)C2)n1 ZINC000257340709 223071586 /nfs/dbraw/zinc/07/15/86/223071586.db2.gz ZHGLMQUCZYKOBS-AWEZNQCLSA-N 1 0 369.498 3.396 40 0 FGABRO Cc1[nH+]cc2cncc(C3CCN(C(=O)c4cc(F)cc(F)c4)CC3)n12 ZINC000257342837 223073298 /nfs/dbraw/zinc/07/32/98/223073298.db2.gz ZQIKGVGHIUEYNF-UHFFFAOYSA-N 1 0 356.376 3.336 40 0 FGABRO C[NH+](C)CCNc1nc(Nc2ccc(Cl)cc2)cc(-c2ccccn2)n1 ZINC000328966944 223127365 /nfs/dbraw/zinc/12/73/65/223127365.db2.gz CPJOGKCPENKCNL-UHFFFAOYSA-N 1 0 368.872 3.331 40 0 FGABRO O[C@@H](C[NH+]1CCC(O)(c2ccccc2F)CC1)c1ccc2c(c1)CCC2 ZINC000012292558 219975264 /nfs/dbraw/zinc/97/52/64/219975264.db2.gz MKEUSTPRGRMTEO-NRFANRHFSA-N 1 0 355.453 3.331 40 0 FGABRO Cc1cc(-c2cnc(NCCC[NH+](C)C)nc2-c2c(C)noc2C)on1 ZINC000012337110 219983230 /nfs/dbraw/zinc/98/32/30/219983230.db2.gz ZRPXPZROHLTSOT-UHFFFAOYSA-N 1 0 356.430 3.075 40 0 FGABRO COc1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000015674073 220158879 /nfs/dbraw/zinc/15/88/79/220158879.db2.gz WRNWMEYVCHIALX-AEFFLSMTSA-N 1 0 351.406 3.053 40 0 biogenic,in-vitro FGABRO COc1c(C)cccc1C[N@@H+]1CC[C@@]2(C1)CCc1ccccc1C(=O)N2 ZINC000019235939 220243362 /nfs/dbraw/zinc/24/33/62/220243362.db2.gz LHZBUYCBYWUYNP-JOCHJYFZSA-N 1 0 350.462 3.324 40 0 FGABRO Cn1nc(C2CC[NH+](Cc3ccc4ncccc4c3)CC2)c2nccnc21 ZINC000019289446 220246515 /nfs/dbraw/zinc/24/65/15/220246515.db2.gz WHWQAFZQWXSDCV-UHFFFAOYSA-N 1 0 358.449 3.291 40 0 FGABRO O=C(COc1ccc(F)cc1)N1CCC(c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000019335697 220251738 /nfs/dbraw/zinc/25/17/38/220251738.db2.gz DGFIXRBDUAPZMJ-UHFFFAOYSA-N 1 0 353.397 3.487 40 0 FGABRO CCC(=O)N1CCC[C@H](c2[nH]c3ncccc3c2C[NH+]2CCSCC2)C1 ZINC000019498700 220264569 /nfs/dbraw/zinc/26/45/69/220264569.db2.gz GRNMCNJFHFIBJI-HNNXBMFYSA-N 1 0 372.538 3.228 40 0 FGABRO CCc1nc2ccccc2n1C[C@H](C)C(=O)N1CCC[C@@H](C[NH+](C)C)C1 ZINC000019523266 220265267 /nfs/dbraw/zinc/26/52/67/220265267.db2.gz BUTSSRPTLWDRTJ-IRXDYDNUSA-N 1 0 356.514 3.035 40 0 FGABRO CCOc1cc2c(cc1CN(CC[NH+](C)C)Cc1ccccn1)O[C@@H](C)C2 ZINC000019532384 220269433 /nfs/dbraw/zinc/26/94/33/220269433.db2.gz WIKBVCGISUOZNN-KRWDZBQOSA-N 1 0 369.509 3.368 40 0 FGABRO COc1cc(CN2CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc(OC)c1OC ZINC000019549842 220269680 /nfs/dbraw/zinc/26/96/80/220269680.db2.gz ACUYWIJYRNMARV-NZSAHSFTSA-N 1 0 372.509 3.042 40 0 FGABRO COc1cccc(C[N@@H+]2CCC[C@@H](c3cc(C(=O)N4CCCC4)on3)C2)c1 ZINC000019565120 220272989 /nfs/dbraw/zinc/27/29/89/220272989.db2.gz KHWKIJGJWWXLNX-QGZVFWFLSA-N 1 0 369.465 3.299 40 0 FGABRO C[N@@H+]1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)Cc1cccnc1 ZINC000019589094 220277762 /nfs/dbraw/zinc/27/77/62/220277762.db2.gz GXVOASMTKJPMQP-XJUOHMSHSA-N 1 0 363.505 3.493 40 0 FGABRO COCCc1ncc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3[C@H]2c2ccc(OC)cc2)cn1 ZINC000019593861 220278181 /nfs/dbraw/zinc/27/81/81/220278181.db2.gz ZKZGUBXMSZHZFR-YVNJGZBMSA-N 1 0 367.493 3.346 40 0 FGABRO CC1(C)Cc2cc(C[N@@H+]3CC[C@H](C(=O)Nc4ccccn4)C3)ccc2O1 ZINC000019747788 220293313 /nfs/dbraw/zinc/29/33/13/220293313.db2.gz XSSCQCHYQMFWOW-INIZCTEOSA-N 1 0 351.450 3.256 40 0 FGABRO O=c1cc(C2CC[NH+](Cc3cccnc3)CC2)nc(N2CCCCCC2)[nH]1 ZINC000019717433 220290468 /nfs/dbraw/zinc/29/04/68/220290468.db2.gz GKKDEUNYDVXDES-UHFFFAOYSA-N 1 0 367.497 3.337 40 0 FGABRO COc1ccc2nc(CN(CC[NH+](C)C)Cc3ccncc3)ccc2c1 ZINC000022913842 220403639 /nfs/dbraw/zinc/40/36/39/220403639.db2.gz OLIOEPMTVZFFTI-UHFFFAOYSA-N 1 0 350.466 3.202 40 0 FGABRO COc1cccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4ccco4)C2)OC3)c1 ZINC000306137151 533370742 /nfs/dbraw/zinc/37/07/42/533370742.db2.gz QMUNTTMMKSXYRF-NRFANRHFSA-N 1 0 365.433 3.327 40 0 FGABRO COc1cc(N2CCC[C@@]3(CC[N@H+](Cc4ccc(C)cc4)C3)C2)ncn1 ZINC000096216521 132222517 /nfs/dbraw/zinc/22/25/17/132222517.db2.gz HKQCIBMKVDFHQQ-NRFANRHFSA-N 1 0 352.482 3.286 40 0 FGABRO Cc1cccc(N2CC[NH+](C[C@H](O)c3ccc4c(c3)OCCCO4)CC2)c1 ZINC000019235123 136152315 /nfs/dbraw/zinc/15/23/15/136152315.db2.gz BJCHHSMZSXEWDG-FQEVSTJZSA-N 1 0 368.477 3.012 40 0 FGABRO COCCC(=O)N1CCCC12CC[NH+](Cc1ccc(Cl)cc1)CC2 ZINC000096075195 222014124 /nfs/dbraw/zinc/01/41/24/222014124.db2.gz ZHEUUVDKPGUGJO-UHFFFAOYSA-N 1 0 350.890 3.334 40 0 FGABRO COC[C@H]1CC2(C[N@@H+]1C(C)C)CCN(C(=O)Cc1cccs1)CC2 ZINC000096078394 222014465 /nfs/dbraw/zinc/01/44/65/222014465.db2.gz MXGYOHQEMVTAGY-MRXNPFEDSA-N 1 0 350.528 3.029 40 0 FGABRO CN(C)c1cc([C@H]2c3ccccc3CCCN2C(=O)[C@H]2CCOC2)ccn1 ZINC000096087144 222018362 /nfs/dbraw/zinc/01/83/62/222018362.db2.gz RFCXIUNISPGZOO-RXVVDRJESA-N 1 0 365.477 3.048 40 0 FGABRO FC1(F)CCN(Cc2ccncc2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC000096239800 222094927 /nfs/dbraw/zinc/09/49/27/222094927.db2.gz UIVNGWMALJSRNJ-IBGZPJMESA-N 1 0 358.436 3.210 40 0 FGABRO Fc1cccnc1N1CC[C@@]2(C1)C[N@H+](Cc1ccncc1)CCC2(F)F ZINC000096239648 222096204 /nfs/dbraw/zinc/09/62/04/222096204.db2.gz OJAOQTPDXIRCTQ-SFHVURJKSA-N 1 0 362.399 3.353 40 0 FGABRO CCC(CC)NC(=O)c1ncn2c1nccc2C1CC[NH+](CC2CC2)CC1 ZINC000096267218 222106823 /nfs/dbraw/zinc/10/68/23/222106823.db2.gz RAJIXXMMXWCNNC-UHFFFAOYSA-N 1 0 369.513 3.237 40 0 FGABRO Cc1nc(C[N@@H+]2CCC3(C2)CCN(C(=O)c2ccoc2C)CC3)cs1 ZINC000096157434 222057968 /nfs/dbraw/zinc/05/79/68/222057968.db2.gz QBWXGXNFQKYVLZ-UHFFFAOYSA-N 1 0 359.495 3.481 40 0 FGABRO O=C1N(c2ccccc2)CC12CC[NH+](Cc1ccc3c(c1)OCO3)CC2 ZINC000096202916 222074475 /nfs/dbraw/zinc/07/44/75/222074475.db2.gz HELGNQWMAJYRIU-UHFFFAOYSA-N 1 0 350.418 3.044 40 0 FGABRO Fc1cccc(C[N@@H+]2CC[C@H]3OCC[C@@]3(CCNc3ncccn3)C2)c1 ZINC000096208477 222078655 /nfs/dbraw/zinc/07/86/55/222078655.db2.gz FYEWOASVRHCTCE-QUCCMNQESA-N 1 0 356.445 3.099 40 0 FGABRO COc1cccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC2CCOCC2)C3)c1 ZINC000096215443 222079972 /nfs/dbraw/zinc/07/99/72/222079972.db2.gz BVVBCEPJWIJCKD-QFIPXVFZSA-N 1 0 372.509 3.050 40 0 FGABRO c1ccc(CC[N@@H+]2CCC[C@]3(C[C@H](OCc4ccncc4)CO3)C2)cc1 ZINC000096209869 222079992 /nfs/dbraw/zinc/07/99/92/222079992.db2.gz BOFAYRLAMOZWJY-VXKWHMMOSA-N 1 0 352.478 3.464 40 0 FGABRO c1cc(CN2CC[C@@]3(C2)CCC[N@@H+](CC2CCOCC2)C3)cc2c1OCO2 ZINC000096215382 222080080 /nfs/dbraw/zinc/08/00/80/222080080.db2.gz NQYICAJOUNIOJP-QFIPXVFZSA-N 1 0 372.509 3.130 40 0 FGABRO Cc1ccccc1C[NH+]1CCC2(CCOC[C@@H]2NC(=O)CC2CC2)CC1 ZINC000096209841 222080229 /nfs/dbraw/zinc/08/02/29/222080229.db2.gz ZSRDMAMAFRAKTP-FQEVSTJZSA-N 1 0 356.510 3.282 40 0 FGABRO O=C(C[C@H]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2O1)NCc1cccs1 ZINC000096216873 222081290 /nfs/dbraw/zinc/08/12/90/222081290.db2.gz DHVNIBZXWSQYEN-YQVWRLOYSA-N 1 0 356.491 3.044 40 0 FGABRO COc1ncccc1C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1nccs1)C2 ZINC000096215731 222081489 /nfs/dbraw/zinc/08/14/89/222081489.db2.gz DIQHBGJIMFQGJG-IBGZPJMESA-N 1 0 358.511 3.035 40 0 FGABRO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)N4CCCC4)C3)C2)c1 ZINC000096215690 222082600 /nfs/dbraw/zinc/08/26/00/222082600.db2.gz SXZCZHWMJWKEMZ-NRFANRHFSA-N 1 0 357.498 3.199 40 0 FGABRO O=C(c1cc2ccccc2[nH]1)N1CCC[C@]2(C[C@H](C[NH+]3CCCC3)CO2)C1 ZINC000096228340 222089366 /nfs/dbraw/zinc/08/93/66/222089366.db2.gz RRALABDFEJQXSE-VGSWGCGISA-N 1 0 367.493 3.275 40 0 FGABRO CC(C)[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1 ZINC000096228737 222089430 /nfs/dbraw/zinc/08/94/30/222089430.db2.gz VVHIYJKMENPWBG-NRFANRHFSA-N 1 0 355.482 3.131 40 0 FGABRO O=C(c1ccc2cc[nH]c2c1)N1CCC[C@]2(C1)COCC[N@H+](CC1CC1)C2 ZINC000096228790 222090011 /nfs/dbraw/zinc/09/00/11/222090011.db2.gz LGSLXNBGEBFELV-QFIPXVFZSA-N 1 0 367.493 3.133 40 0 FGABRO COCCN1c2ccccc2C2(CC[NH+](Cc3cccs3)CC2)C1=O ZINC000105524867 222369998 /nfs/dbraw/zinc/36/99/98/222369998.db2.gz PJZHJPFQLYRPNK-UHFFFAOYSA-N 1 0 356.491 3.275 40 0 FGABRO COc1ccc(S[C@H](C)C(=O)NCCC[NH+]2CCCCC2)cc1OC ZINC000020458938 263381596 /nfs/dbraw/zinc/38/15/96/263381596.db2.gz ITULBCUDOYOJLM-OAHLLOKOSA-N 1 0 366.527 3.177 40 0 FGABRO CCc1ccc(N2C(=O)C[C@H]([NH2+]CCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000025224552 263388711 /nfs/dbraw/zinc/38/87/11/263388711.db2.gz DKFZJPIYEHWWEU-FQEVSTJZSA-N 1 0 361.445 3.195 40 0 FGABRO CC[C@H]1C[C@@H]2C[N@@H+]3CCc4c5cc(OC)ccc5[nH]c4[C@](C(=O)OC)(C2)[C@@H]13 ZINC000001609907 493796992 /nfs/dbraw/zinc/79/69/92/493796992.db2.gz MMAYTCMMKJYIAM-CDAWJECPSA-N 1 0 368.477 3.264 40 0 biogenic,in-vitro FGABRO CCOC(=O)C1CC[NH+](C[C@H](O)COc2ccccc2[C@H](C)CC)CC1 ZINC000002694459 493815493 /nfs/dbraw/zinc/81/54/93/493815493.db2.gz HMGVYESLOZTFDG-AEFFLSMTSA-N 1 0 363.498 3.215 40 0 FGABRO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccc(Br)c1 ZINC000004482465 493878208 /nfs/dbraw/zinc/87/82/08/493878208.db2.gz KBULQBFCVZUFBT-HOCLYGCPSA-N 1 0 351.288 3.443 40 0 FGABRO COc1ccccc1N1CC[NH+](CCc2ccc3cccc(O)c3n2)CC1 ZINC000059474700 493906446 /nfs/dbraw/zinc/90/64/46/493906446.db2.gz ZHAVTRHJMGGJJA-UHFFFAOYSA-N 1 0 363.461 3.314 40 0 FGABRO COc1cc2c(cc1OC)[C@H](c1cc3cc(C)ccc3[nH]c1=O)[NH2+]CC2 ZINC000035316155 494074893 /nfs/dbraw/zinc/07/48/93/494074893.db2.gz ZYZWRFWJXRDQRK-HXUWFJFHSA-N 1 0 350.418 3.089 40 0 FGABRO CC(=O)Nc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000009062817 494112744 /nfs/dbraw/zinc/11/27/44/494112744.db2.gz CWHGKYIVUIWDPT-UHFFFAOYSA-N 1 0 351.450 3.496 40 0 FGABRO O=C([C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1)N1CCOCC1 ZINC000038832732 494118513 /nfs/dbraw/zinc/11/85/13/494118513.db2.gz ORAKMRBXTUXVSD-CQSZACIVSA-N 1 0 357.281 3.064 40 0 FGABRO COC(=O)[C@@]1(Cc2ccccc2)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1 ZINC000072341110 494154608 /nfs/dbraw/zinc/15/46/08/494154608.db2.gz LVJACXWVFKPSDY-ZRCGQRJVSA-N 1 0 363.457 3.395 40 0 FGABRO CN(CCO)C(=O)c1cc([C@H]2CC[N@@H+](C3CCCC3)C2)nc2ccccc21 ZINC000072352657 494155606 /nfs/dbraw/zinc/15/56/06/494155606.db2.gz FSFHYOOISHEYOS-INIZCTEOSA-N 1 0 367.493 3.031 40 0 FGABRO CN(C)C(=O)C[N@@H+]1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1 ZINC000072349529 494155815 /nfs/dbraw/zinc/15/58/15/494155815.db2.gz NGNFHDIKDRSYPL-QGZVFWFLSA-N 1 0 355.457 3.079 40 0 FGABRO CC(C)[N@@H+]1CC[C@@](Cc2ccc(-c3ccccc3)cc2)(C(=O)NCCO)C1 ZINC000072391132 494162026 /nfs/dbraw/zinc/16/20/26/494162026.db2.gz TZYSGWFJGPRMRT-QHCPKHFHSA-N 1 0 366.505 3.105 40 0 FGABRO O=c1cc([C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)nc(-c2ccncc2)[nH]1 ZINC000072392896 494162288 /nfs/dbraw/zinc/16/22/88/494162288.db2.gz FTHYFVVABNRIAZ-KRWDZBQOSA-N 1 0 364.424 3.351 40 0 FGABRO O=c1cc([C@H]2CCC[N@H+](Cc3ccsc3)C2)nc(-c2cccnc2)[nH]1 ZINC000072393085 494163026 /nfs/dbraw/zinc/16/30/26/494163026.db2.gz IOLBLEZOBLKVAP-INIZCTEOSA-N 1 0 352.463 3.273 40 0 FGABRO CCc1[nH]nc(C(=O)NC2CC[NH+](CC3(c4ccccc4)CC3)CC2)c1C ZINC000012087753 494202383 /nfs/dbraw/zinc/20/23/83/494202383.db2.gz UVCIVBZGZSZVNH-UHFFFAOYSA-N 1 0 366.509 3.207 40 0 FGABRO CC(=O)N1Cc2ccccc2O[C@H]([C@H]2CCC[N@H+](Cc3ccncc3)C2)C1 ZINC000012135404 494207330 /nfs/dbraw/zinc/20/73/30/494207330.db2.gz XITMNRCWFXXLED-UGKGYDQZSA-N 1 0 365.477 3.103 40 0 FGABRO CC[N@@H+]1CC[C@H](CCc2ccc(NC(=O)[C@H]3CC(=O)N(C)C3)cc2)[C@@H](C)C1 ZINC000012144921 494208473 /nfs/dbraw/zinc/20/84/73/494208473.db2.gz CXLXDKSFGIPBPR-WDSOQIARSA-N 1 0 371.525 3.014 40 0 FGABRO C[NH+](C)Cc1ccc(CN2C[C@@H](CN3CCOCC3)c3ccccc32)cc1 ZINC000012148201 494209472 /nfs/dbraw/zinc/20/94/72/494209472.db2.gz BSSWAECRIMRGCQ-OAQYLSRUSA-N 1 0 365.521 3.184 40 0 FGABRO C[NH+](C)[C@@H](CNC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1ccc(F)cc1 ZINC000012198398 494213596 /nfs/dbraw/zinc/21/35/96/494213596.db2.gz XTEPIYJYJSFDFK-FUHWJXTLSA-N 1 0 362.832 3.202 40 0 FGABRO Cc1[nH]c2ccc(F)cc2c1CC(=O)N(CC[NH+](C)C)Cc1cccnc1 ZINC000012222761 494215949 /nfs/dbraw/zinc/21/59/49/494215949.db2.gz RNIGDDWQCIROMD-UHFFFAOYSA-N 1 0 368.456 3.143 40 0 FGABRO O=C1CCCN1c1ccc(C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)cc1 ZINC000012363588 494226584 /nfs/dbraw/zinc/22/65/84/494226584.db2.gz CDOVJQGJVSKLSW-UHFFFAOYSA-N 1 0 368.452 3.436 40 0 FGABRO CC1(C)CC(NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CC(C)(C)[NH2+]1 ZINC000042646042 494233669 /nfs/dbraw/zinc/23/36/69/494233669.db2.gz MJARHQVZNVCMKK-UHFFFAOYSA-N 1 0 372.296 3.357 40 0 FGABRO COc1cc(C[N@@H+]2CCCC[C@@H]3[C@H]2CCN3C(C)=O)ccc1OC(C)C ZINC000019712539 494456107 /nfs/dbraw/zinc/45/61/07/494456107.db2.gz DOOKVBDFWPVMMN-RTBURBONSA-N 1 0 360.498 3.458 40 0 FGABRO CC(=O)N1CC[C@H]2[C@H]1CCCCC[N@@H+]2Cc1ccc(-n2cccn2)cc1 ZINC000019712318 494456489 /nfs/dbraw/zinc/45/64/89/494456489.db2.gz VIBZAVCNXWZFMU-LEWJYISDSA-N 1 0 352.482 3.238 40 0 FGABRO C[C@H]1CCCN(c2ncc(-c3cncn3CC[N@H+](C)C3CCCC3)cn2)C1 ZINC000019720001 494458856 /nfs/dbraw/zinc/45/88/56/494458856.db2.gz PQJHQMNFYKOLDI-KRWDZBQOSA-N 1 0 368.529 3.451 40 0 FGABRO CNc1cc(CN(C)Cc2ccnc3ccccc23)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019759880 494459846 /nfs/dbraw/zinc/45/98/46/494459846.db2.gz DVWIJVCZOFSBEU-IBGZPJMESA-N 1 0 362.481 3.123 40 0 FGABRO Cc1cccnc1C[NH+]1CCC2(CCCN(CC3CCOCC3)C2=O)CC1 ZINC000108529067 494731032 /nfs/dbraw/zinc/73/10/32/494731032.db2.gz AAMAFLYYNOYYTB-UHFFFAOYSA-N 1 0 371.525 3.021 40 0 FGABRO Fc1ccccc1C[NH+]1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 ZINC000108534716 494732018 /nfs/dbraw/zinc/73/20/18/494732018.db2.gz DIUAOSWIKPXGAX-KRWDZBQOSA-N 1 0 356.445 3.241 40 0 FGABRO O=C(C[NH+]1CCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000026439197 494824884 /nfs/dbraw/zinc/82/48/84/494824884.db2.gz GAOKHFOVOWJXSU-UHFFFAOYSA-N 1 0 363.505 3.016 40 0 FGABRO [NH3+][C@@H](Cc1ccccc1)c1nc(-c2cc(Br)ccc2O)n[nH]1 ZINC000095534882 494989046 /nfs/dbraw/zinc/98/90/46/494989046.db2.gz UDSPKQKIKALGMR-ZDUSSCGKSA-N 1 0 359.227 3.182 40 0 FGABRO C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CCN(C(=O)c1ccsc1)CC2 ZINC000096048025 494998393 /nfs/dbraw/zinc/99/83/93/494998393.db2.gz QRBZBOFBXXIJTA-INIZCTEOSA-N 1 0 360.479 3.237 40 0 FGABRO COc1ccc(C[NH+]2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)cc1 ZINC000096047892 494998555 /nfs/dbraw/zinc/99/85/55/494998555.db2.gz HWCZMNNKJWEVIU-FQEVSTJZSA-N 1 0 354.450 3.293 40 0 FGABRO Cc1ccc(C[NH+]2CCC3(C[C@H](CC(=O)N4CCCC4)CO3)CC2)s1 ZINC000096048174 494998724 /nfs/dbraw/zinc/99/87/24/494998724.db2.gz FDCVWQJXVNVUQX-KRWDZBQOSA-N 1 0 362.539 3.440 40 0 FGABRO Cc1ccc(C[NH+]2CCC3(CC2)CN(Cc2nccs2)CCO3)s1 ZINC000096048979 494999757 /nfs/dbraw/zinc/99/97/57/494999757.db2.gz CHDUDSLSRZPTHQ-UHFFFAOYSA-N 1 0 363.552 3.380 40 0 FGABRO CSc1nnc(NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)s1 ZINC000225644997 497069678 /nfs/dbraw/zinc/06/96/78/497069678.db2.gz DTUYFEWUZSZOLF-UHFFFAOYSA-N 1 0 362.524 3.419 40 0 FGABRO c1cc2n(n1)C[C@@H](C[NH+]1CCCCC1)CN(CCOCc1ccccc1)C2 ZINC000253603828 497345769 /nfs/dbraw/zinc/34/57/69/497345769.db2.gz NLZYRBQVRJBRDA-NRFANRHFSA-N 1 0 368.525 3.018 40 0 FGABRO Cc1ccc(C(=O)N2CC[C@]3(Cc4ncc(-c5cccnc5)n4C3)C2)s1 ZINC000306123141 498736762 /nfs/dbraw/zinc/73/67/62/498736762.db2.gz AFNSUOGCYJYMPS-FQEVSTJZSA-N 1 0 364.474 3.404 40 0 FGABRO O=C(C[C@@H]1Cn2cccc2C[N@H+](Cc2ccsc2)C1)NCc1ccco1 ZINC000585099115 507566771 /nfs/dbraw/zinc/56/67/71/507566771.db2.gz MUFSOJCIJQEVBG-KRWDZBQOSA-N 1 0 369.490 3.481 40 0 FGABRO C[C@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CCN(C(=O)c2ccccc2)CC3)C1 ZINC000585104199 507570357 /nfs/dbraw/zinc/57/03/57/507570357.db2.gz MONDMLSWEQFHRZ-ICSRJNTNSA-N 1 0 356.510 3.430 40 0 FGABRO O=C(N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21)c1ccncc1 ZINC000585109806 507574854 /nfs/dbraw/zinc/57/48/54/507574854.db2.gz VYULYCVUFJPHNF-FDFHNCONSA-N 1 0 370.456 3.177 40 0 FGABRO Fc1ccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4ccncc4)C2)OC3)cc1 ZINC000306130664 534454009 /nfs/dbraw/zinc/45/40/09/534454009.db2.gz JMLPMSOPVSEZTK-OAQYLSRUSA-N 1 0 364.424 3.259 40 0 FGABRO CC(=O)NCc1cccc([C@@H]2CCC[N@@H+]2CCOc2ccc(F)cc2)n1 ZINC000257302177 526813448 /nfs/dbraw/zinc/81/34/48/526813448.db2.gz SBUSYMIGSFYRLS-FQEVSTJZSA-N 1 0 357.429 3.073 40 0 FGABRO CCCn1nc(C)c(C(=O)N2CC[C@H](c3cc(NC)cc(C)[nH+]3)C2)c1C ZINC000257305073 528871724 /nfs/dbraw/zinc/87/17/24/528871724.db2.gz SOICYESNDNWJPP-INIZCTEOSA-N 1 0 355.486 3.285 40 0 FGABRO CCc1c(C)nc2cc(-c3cccs3)nn2c1N1CC[NH+](CC)CC1 ZINC000004980821 536070461 /nfs/dbraw/zinc/07/04/61/536070461.db2.gz VHZXRFDJYRALPD-UHFFFAOYSA-N 1 0 355.511 3.471 40 0 FGABRO CCC[N@@H+]1CC[C@@](C)(O)[C@@H](NC(=O)c2ccccc2)[C@@H]1c1cccs1 ZINC000514289676 560032070 /nfs/dbraw/zinc/03/20/70/560032070.db2.gz BDVGHNIMJWKMPW-CMKODMSKSA-N 1 0 358.507 3.455 40 0 biogenic,in-vitro FGABRO Cc1n[nH]cc1C[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC000103345937 571151275 /nfs/dbraw/zinc/15/12/75/571151275.db2.gz HDGTZOPTTLHZRO-SFHVURJKSA-N 1 0 362.905 3.313 40 0 FGABRO C[N@@H+]1CCN(Cc2cscn2)C[C@H](Cc2cnc3ccccc3c2)C1 ZINC000257271836 529775360 /nfs/dbraw/zinc/77/53/60/529775360.db2.gz MZYYADBHVXNTRD-QGZVFWFLSA-N 1 0 352.507 3.298 40 0 FGABRO C[N@@H+]1CCN(C(=O)CC2CCCC2)C[C@H](Cc2ccnc3cccnc23)C1 ZINC000257273208 530066767 /nfs/dbraw/zinc/06/67/67/530066767.db2.gz NFRVJIGDNMBSDS-GOSISDBHSA-N 1 0 366.509 3.143 40 0 FGABRO CCn1c(C)[n+](CC)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc21 ZINC000000823312 219327159 /nfs/dbraw/zinc/32/71/59/219327159.db2.gz FWPLHWULTDYWPZ-UHFFFAOYSA-N 1 0 358.487 3.386 40 0 FGABRO Cn1nccc1C[N@@H+]1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]21 ZINC000257200700 223016597 /nfs/dbraw/zinc/01/65/97/223016597.db2.gz AENKXWANGKQXMW-LFGUQSLTSA-N 1 0 353.466 3.312 40 0 FGABRO O=C(C[NH+]1CCCC1)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257220308 223025635 /nfs/dbraw/zinc/02/56/35/223025635.db2.gz DKINXFZGPBXIMI-GOSISDBHSA-N 1 0 357.429 3.164 40 0 FGABRO Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@H]1c1ccnc(Nc2ncccn2)c1 ZINC000257243355 223034595 /nfs/dbraw/zinc/03/45/95/223034595.db2.gz IGOVFQHSOKJXRL-SFHVURJKSA-N 1 0 363.469 3.303 40 0 FGABRO c1cnc(Nc2cc(CCC3CC[NH+]([C@H]4CCOC4)CC3)ccn2)cn1 ZINC000257246095 223035481 /nfs/dbraw/zinc/03/54/81/223035481.db2.gz ISLWANHDNMBUEQ-SFHVURJKSA-N 1 0 353.470 3.049 40 0 FGABRO C[NH+](C)Cc1cccc(-c2cccnc2C(=O)NCCc2ccncc2)c1 ZINC000257276252 223046637 /nfs/dbraw/zinc/04/66/37/223046637.db2.gz NSZOVVOXGPPLFI-UHFFFAOYSA-N 1 0 360.461 3.178 40 0 FGABRO Cc1ncsc1C[NH+]1CCC(c2cc(-c3nccn3C)nc(C)n2)CC1 ZINC000257295471 223055217 /nfs/dbraw/zinc/05/52/17/223055217.db2.gz QYKVWUMDRRUMGA-UHFFFAOYSA-N 1 0 368.510 3.330 40 0 FGABRO NC(=O)c1sc2ncccc2c1C1CC[NH+](Cc2ccccn2)CC1 ZINC000257331398 223068212 /nfs/dbraw/zinc/06/82/12/223068212.db2.gz XSROECBPKHGHAF-UHFFFAOYSA-N 1 0 352.463 3.170 40 0 FGABRO C[NH+](C)Cc1cnn(-c2ccccc2C(=O)NCc2ccc(F)cc2)c1 ZINC000257329365 223068544 /nfs/dbraw/zinc/06/85/44/223068544.db2.gz XJRCYSAVDPOSPZ-UHFFFAOYSA-N 1 0 352.413 3.003 40 0 FGABRO Cn1cc2c(n1)[C@]1(CC[N@H+](Cc3ccccc3)C1)CN(Cc1ccoc1)C2 ZINC000306125332 223107022 /nfs/dbraw/zinc/10/70/22/223107022.db2.gz CMROMPQVBBXNJS-QFIPXVFZSA-N 1 0 362.477 3.173 40 0 FGABRO Cc1nc2c(n1CC1CC1)CN(Cc1ccoc1)CC21CC[NH+](C)CC1 ZINC000306132294 223109804 /nfs/dbraw/zinc/10/98/04/223109804.db2.gz LEHQVNXTMXOIHH-UHFFFAOYSA-N 1 0 354.498 3.174 40 0 FGABRO C[NH+](C)CCCNc1nc(Nc2cccc(Cl)c2)cc(C(F)(F)F)n1 ZINC000328976548 223127072 /nfs/dbraw/zinc/12/70/72/223127072.db2.gz FOMLOMLDBPPJSG-UHFFFAOYSA-N 1 0 373.810 3.100 40 0 FGABRO Cc1ncc(C[NH+]2CCC(c3nc4ccc(F)cc4cc3N)CC2)cn1 ZINC000012087928 219951933 /nfs/dbraw/zinc/95/19/33/219951933.db2.gz OHMFROAQRYTXDG-UHFFFAOYSA-N 1 0 351.429 3.434 40 0 FGABRO COc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ccccc3)n2)cc1 ZINC000015674675 220159680 /nfs/dbraw/zinc/15/96/80/220159680.db2.gz PQLHAMBRXRZYQJ-AEFFLSMTSA-N 1 0 351.406 3.053 40 0 biogenic,in-vitro FGABRO COc1ccc2[nH]c(CN3CCC([NH+]4C[C@@H](C)O[C@H](C)C4)CC3)cc2c1 ZINC000019497378 220263592 /nfs/dbraw/zinc/26/35/92/220263592.db2.gz QXJUVXWLNPJYJH-HZPDHXFCSA-N 1 0 357.498 3.250 40 0 FGABRO COc1cccc(CC(=O)N2CCC[C@H]3[NH2+]C[C@H](c4ccc(F)cc4)[C@H]32)c1 ZINC000019564343 220274168 /nfs/dbraw/zinc/27/41/68/220274168.db2.gz SCMLLDSPQDFYSO-KCZVDYSFSA-N 1 0 368.452 3.123 40 0 FGABRO CNc1cc(C)[nH+]c([C@H]2CN(C(=O)C3CCC(F)(F)CC3)CCO2)c1 ZINC000257261381 533047277 /nfs/dbraw/zinc/04/72/77/533047277.db2.gz LHARPCMLTSUKDL-MRXNPFEDSA-N 1 0 353.413 3.157 40 0 FGABRO CCN(C(=O)[C@@H](C)Oc1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000019655389 220280721 /nfs/dbraw/zinc/28/07/21/220280721.db2.gz TXUKNXIMLZLNND-CYBMUJFWSA-N 1 0 358.404 3.415 40 0 FGABRO Cc1nc2ccccc2n1Cc1cc(NC[C@@H]2CCC[N@@H+](C)C2)nc(C)n1 ZINC000019655895 220281404 /nfs/dbraw/zinc/28/14/04/220281404.db2.gz DHLRTRNMQMIEKP-KRWDZBQOSA-N 1 0 364.497 3.245 40 0 FGABRO COc1cccc([C@@H]2CCC[N@@H+]2Cc2cnc(N3CCOCC3)s2)c1 ZINC000019715683 220289694 /nfs/dbraw/zinc/28/96/94/220289694.db2.gz DSRUWMSJEAWZMP-SFHVURJKSA-N 1 0 359.495 3.325 40 0 FGABRO COc1ccc(-c2cc(C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)on2)cc1 ZINC000019718921 220290122 /nfs/dbraw/zinc/29/01/22/220290122.db2.gz YZBARBCLJUDFGC-INIZCTEOSA-N 1 0 355.438 3.051 40 0 FGABRO CCc1cc(N2CCc3cc(OC)c(OC)cc3C2)nc(N[C@@H](C)CC)[nH+]1 ZINC000328961063 132371964 /nfs/dbraw/zinc/37/19/64/132371964.db2.gz BAUXLWSQEAXHMF-AWEZNQCLSA-N 1 0 370.497 3.251 40 0 FGABRO Cc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(NC(C)C)[nH+]1 ZINC000328972617 132372114 /nfs/dbraw/zinc/37/21/14/132372114.db2.gz DVXMFIZPTICCNG-UHFFFAOYSA-N 1 0 366.387 3.489 40 0 FGABRO Cc1cc(N2CCc3cc(Br)ccc3C2)nc(NC(C)C)[nH+]1 ZINC000328972685 132372190 /nfs/dbraw/zinc/37/21/90/132372190.db2.gz DXXHKXYQMACTRI-UHFFFAOYSA-N 1 0 361.287 3.352 40 0 FGABRO CCNc1nc(N2CCc3ccc(Br)cc3C2)cc(CC)[nH+]1 ZINC000329067591 132373291 /nfs/dbraw/zinc/37/32/91/132373291.db2.gz YIWACGZIQJFMFM-UHFFFAOYSA-N 1 0 361.287 3.218 40 0 FGABRO COc1ccc(C[NH+]2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)cc1 ZINC000096047881 222000012 /nfs/dbraw/zinc/00/00/12/222000012.db2.gz QMUOHCKNMUDBNX-OAQYLSRUSA-N 1 0 368.477 3.431 40 0 FGABRO O=S(=O)(N[C@H]1CCC12CC[NH+](Cc1ccoc1)CC2)c1ccccc1 ZINC000096051617 222002469 /nfs/dbraw/zinc/00/24/69/222002469.db2.gz USJNCFAFKLFNSG-SFHVURJKSA-N 1 0 360.479 3.003 40 0 FGABRO Cc1ccc(C[NH+]2CCC3(CC[C@@H]3NS(=O)(=O)c3ccccc3)CC2)o1 ZINC000096051624 222002532 /nfs/dbraw/zinc/00/25/32/222002532.db2.gz CACDAPYEOPRFQB-IBGZPJMESA-N 1 0 374.506 3.311 40 0 FGABRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1nccs1)CC2 ZINC000096051793 222002870 /nfs/dbraw/zinc/00/28/70/222002870.db2.gz KQVKXZXULUHXTN-GOSISDBHSA-N 1 0 372.538 3.041 40 0 FGABRO COC[C@H]1CC2(CN1c1ncccn1)CC[NH+](Cc1cccs1)CC2 ZINC000096051803 222003558 /nfs/dbraw/zinc/00/35/58/222003558.db2.gz PUSUNDDXMXQFRE-MRXNPFEDSA-N 1 0 358.511 3.046 40 0 FGABRO COc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](C(=O)N4CCC(C)CC4)CC[C@H]32)cc1 ZINC000096057541 222004769 /nfs/dbraw/zinc/00/47/69/222004769.db2.gz NWEKPMOOXGDUAI-NJDAHSKKSA-N 1 0 372.509 3.076 40 0 FGABRO COc1ccc(C[N@H+]2C[C@@H](N(C)Cc3ccco3)[C@H]3OCCC[C@H]3C2)cc1 ZINC000096057145 222005381 /nfs/dbraw/zinc/00/53/81/222005381.db2.gz JKEHKZHYOTUOGR-BWAGFHJFSA-N 1 0 370.493 3.400 40 0 FGABRO Cc1nc(N(C)C)nc2c1COC[C@@]21CC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000096244439 222098849 /nfs/dbraw/zinc/09/88/49/222098849.db2.gz LVDHEOJOQXCURS-FQEVSTJZSA-N 1 0 372.900 3.178 40 0 FGABRO Cc1cc(C)cc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2cccc(C)n2)c1 ZINC000096248834 222099992 /nfs/dbraw/zinc/09/99/92/222099992.db2.gz CAJORZCFEMWRPL-YADHBBJMSA-N 1 0 351.494 3.092 40 0 FGABRO CC(C)[N@@H+]1CC[C@H](c2nnc3ccc(C(=O)Nc4ccccc4F)cn32)C1 ZINC000096267462 222106638 /nfs/dbraw/zinc/10/66/38/222106638.db2.gz CGTQTBGBBZUDQR-AWEZNQCLSA-N 1 0 367.428 3.318 40 0 FGABRO O=C(CC(F)(F)F)N1CCC2(CC1)CC[NH+](Cc1ccccn1)CC2 ZINC000096158386 222057591 /nfs/dbraw/zinc/05/75/91/222057591.db2.gz CJHAIGABUAACAC-UHFFFAOYSA-N 1 0 355.404 3.239 40 0 FGABRO O=C(c1cnccn1)N1CCCC2(CC[NH+](Cc3ccsc3)CC2)C1 ZINC000096158529 222058059 /nfs/dbraw/zinc/05/80/59/222058059.db2.gz MKEKPXRRTCWEQZ-UHFFFAOYSA-N 1 0 356.495 3.057 40 0 FGABRO Fc1ccc(C[N@@H+]2CC[C@H]3OCC[C@@]3(CCNc3ncccn3)C2)cc1 ZINC000096208198 222078615 /nfs/dbraw/zinc/07/86/15/222078615.db2.gz JLLBDMYTVRKFHG-QUCCMNQESA-N 1 0 356.445 3.099 40 0 FGABRO CN(C)C(=O)N1CCC[C@]2(CC[N@H+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000096215559 222080520 /nfs/dbraw/zinc/08/05/20/222080520.db2.gz UOORAPIJEPVMOM-GOSISDBHSA-N 1 0 353.869 3.449 40 0 FGABRO Cc1cc(=O)oc2cc(NC(=O)[C@H]([NH3+])Cc3c[nH]c4ccccc34)ccc12 ZINC000098044208 222223071 /nfs/dbraw/zinc/22/30/71/222223071.db2.gz DPZFMVUUWDFHFI-QGZVFWFLSA-N 1 0 361.401 3.091 40 0 FGABRO CSc1ccccc1N1C(=O)C[C@H](Nc2ccc(N(C)C)cc2)C1=O ZINC000101130773 222264147 /nfs/dbraw/zinc/26/41/47/222264147.db2.gz IYZSFJQZHULLHN-HNNXBMFYSA-N 1 0 355.463 3.219 40 0 FGABRO Cc1cc(=O)oc2cc(NC(=O)[C@@H]([NH3+])CSCc3ccccc3)ccc12 ZINC000002391145 493806650 /nfs/dbraw/zinc/80/66/50/493806650.db2.gz WSBODWFAIQZWSU-KRWDZBQOSA-N 1 0 368.458 3.301 40 0 FGABRO COc1ccc(CCC(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000029837732 493860629 /nfs/dbraw/zinc/86/06/29/493860629.db2.gz SAQJHCUSDMUVCK-UHFFFAOYSA-N 1 0 352.478 3.192 40 0 FGABRO CCc1ccc(OCC(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC000006247167 493956243 /nfs/dbraw/zinc/95/62/43/493956243.db2.gz CPDJPDMRSIPYRI-UHFFFAOYSA-N 1 0 353.466 3.018 40 0 FGABRO Cc1cc(OCC(=O)Nc2ccccc2N2CC[NH+](C)CC2)ccc1Cl ZINC000006613158 493970332 /nfs/dbraw/zinc/97/03/32/493970332.db2.gz RUMGTZSYAAICEQ-UHFFFAOYSA-N 1 0 373.884 3.418 40 0 FGABRO CC[C@H](Oc1ccc(F)cc1)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000036092684 494086321 /nfs/dbraw/zinc/08/63/21/494086321.db2.gz BGAWWIFNYXYLOD-BXWFABGCSA-N 1 0 350.478 3.467 40 0 FGABRO O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038853737 494118336 /nfs/dbraw/zinc/11/83/36/494118336.db2.gz HSZLPUHFGAWLSS-INIZCTEOSA-N 1 0 370.424 3.448 40 0 FGABRO COc1ccc([C@@H](C)[NH2+]CC(=O)NC[C@@H](C)c2ccccc2)cc1OC ZINC000041105116 494148463 /nfs/dbraw/zinc/14/84/63/494148463.db2.gz MBZMUGXRTFJWEK-HZPDHXFCSA-N 1 0 356.466 3.274 40 0 FGABRO Cc1nccn1-c1nccnc1[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000072350503 494155763 /nfs/dbraw/zinc/15/57/63/494155763.db2.gz CAEBPYLBWQWKCJ-QGZVFWFLSA-N 1 0 351.429 3.489 40 0 FGABRO O=C(C[NH+]1CCC(c2cccc(Cc3ccccc3)n2)CC1)N1CCCC1 ZINC000072348776 494156348 /nfs/dbraw/zinc/15/63/48/494156348.db2.gz SWPFAABTPWGLCY-UHFFFAOYSA-N 1 0 363.505 3.474 40 0 FGABRO Cn1cc(C[N@@H+]2CCC[C@@H](c3nccnc3-c3ccc(F)cc3)C2)cn1 ZINC000072359052 494157567 /nfs/dbraw/zinc/15/75/67/494157567.db2.gz CHPOIXNMMGRVCX-QGZVFWFLSA-N 1 0 351.429 3.396 40 0 FGABRO CCNC(=O)[C@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCC[NH2+]C1 ZINC000072391900 494162152 /nfs/dbraw/zinc/16/21/52/494162152.db2.gz UPRLQDYIYOSTNA-QFIPXVFZSA-N 1 0 352.478 3.411 40 0 FGABRO Clc1ccc2c(c1)NC1(CC[NH+](Cc3cccnc3)CC1)N1CCN=C21 ZINC000012086107 494202652 /nfs/dbraw/zinc/20/26/52/494202652.db2.gz FLBXZPKIJCKQCT-UHFFFAOYSA-N 1 0 367.884 3.215 40 0 FGABRO COc1ccc(C(=O)N2C[C@H]3CCC[N@H+](Cc4ccc(C)o4)[C@H]3C2)cc1 ZINC000012188436 494212802 /nfs/dbraw/zinc/21/28/02/494212802.db2.gz IZFLGORVMDQUQA-XLIONFOSSA-N 1 0 354.450 3.333 40 0 FGABRO Cc1cnc2[nH]c(-c3cccs3)c(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2c1 ZINC000012223076 494216122 /nfs/dbraw/zinc/21/61/22/494216122.db2.gz WVJBPZGQEOIKFS-ZDUSSCGKSA-N 1 0 354.479 3.297 40 0 FGABRO OC1(Cn2ccc3nc(Cl)ccc32)CC[NH+](Cc2ccccn2)CC1 ZINC000012337939 494225141 /nfs/dbraw/zinc/22/51/41/494225141.db2.gz CEOKVRSWDCEDNT-UHFFFAOYSA-N 1 0 356.857 3.112 40 0 FGABRO O=C1C[C@@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1c1ccccc1Cl ZINC000014671962 494323247 /nfs/dbraw/zinc/32/32/47/494323247.db2.gz WDTXDDHQSOQRCW-QGZVFWFLSA-N 1 0 367.836 3.286 40 0 FGABRO CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1N(C(=O)OC(C)(C)C)C(C)C ZINC000079427468 494452381 /nfs/dbraw/zinc/45/23/81/494452381.db2.gz HPAOBEHLYZCSDI-OAGGEKHMSA-N 1 0 355.523 3.043 40 0 FGABRO Cn1c2ccc(Cl)cc2nc1CCC(=O)N1CC[C@@H]2[C@H]1CCCC[N@@H+]2C ZINC000019712455 494456411 /nfs/dbraw/zinc/45/64/11/494456411.db2.gz CCXSSNRFAAKVHA-QZTJIDSGSA-N 1 0 374.916 3.245 40 0 FGABRO O=S(=O)(c1cccc(Cl)c1Cl)N(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000091363811 494588212 /nfs/dbraw/zinc/58/82/12/494588212.db2.gz WNIHEOVSJWITRI-LLVKDONJSA-N 1 0 363.310 3.146 40 0 FGABRO Cc1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+]CCc3ccccc3)cc12 ZINC000026440777 494826205 /nfs/dbraw/zinc/82/62/05/494826205.db2.gz OBKIYAGDWPOION-UHFFFAOYSA-N 1 0 358.445 3.355 40 0 FGABRO COc1ccc(C[N@@H+]2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)cc1 ZINC000096100385 495001156 /nfs/dbraw/zinc/00/11/56/495001156.db2.gz VQJUEBUEHMVUOB-XZOQPEGZSA-N 1 0 364.489 3.460 40 0 FGABRO COC[C@@H]1CN(C(=O)c2ccco2)CC12CC[NH+](Cc1ccsc1)CC2 ZINC000247817671 496919378 /nfs/dbraw/zinc/91/93/78/496919378.db2.gz CBBXAILFQKMCBY-KRWDZBQOSA-N 1 0 374.506 3.342 40 0 FGABRO COc1ccc(C)cc1C[N@@H+]1C[C@@H]2CC[C@](O)(c3ccc(C)cn3)[C@H]2C1 ZINC000247914317 496927084 /nfs/dbraw/zinc/92/70/84/496927084.db2.gz LPAQBXVYIBNNSL-LQBOVUBWSA-N 1 0 352.478 3.437 40 0 FGABRO COC[C@@H]1C[N@H+](C)CC12CCN(C(=O)Cc1csc3ccccc13)CC2 ZINC000248027545 496945378 /nfs/dbraw/zinc/94/53/78/496945378.db2.gz MYVLLXMHSZWDCU-KRWDZBQOSA-N 1 0 372.534 3.261 40 0 FGABRO CCOC[C@@]1(C[NH3+])[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218461060 497001868 /nfs/dbraw/zinc/00/18/68/497001868.db2.gz GENZUWQEDZYTAD-HKBOAZHASA-N 1 0 373.518 3.225 40 0 FGABRO CC(C)n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCC[NH+](C)C ZINC000223234604 497033557 /nfs/dbraw/zinc/03/35/57/497033557.db2.gz IZZIBUNKRBGPFU-OALUTQOASA-N 1 0 371.554 3.388 40 0 FGABRO O=C(NCCOc1ccc(F)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000224553700 497049774 /nfs/dbraw/zinc/04/97/74/497049774.db2.gz FTFIVCGYCWNXRW-UHFFFAOYSA-N 1 0 374.431 3.372 40 0 FGABRO Cc1ccc(CS(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000224779579 497053137 /nfs/dbraw/zinc/05/31/37/497053137.db2.gz OVBIJKUDPCOAMN-UHFFFAOYSA-N 1 0 358.507 3.210 40 0 FGABRO CCOc1ccc(NC(=S)NC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000225214614 497058562 /nfs/dbraw/zinc/05/85/62/497058562.db2.gz UBLCCDZYBAQJGS-UHFFFAOYSA-N 1 0 363.527 3.015 40 0 FGABRO COC(=O)c1cc(NC(=S)NCCC[NH+]2CCCCC2)ccc1Cl ZINC000225410443 497062106 /nfs/dbraw/zinc/06/21/06/497062106.db2.gz PPXJZCBWJXWJIW-UHFFFAOYSA-N 1 0 369.918 3.289 40 0 FGABRO COc1ccc(NC(=S)NCCC[NH+]2CCC(C)CC2)c(OC)c1 ZINC000225435630 497062949 /nfs/dbraw/zinc/06/29/49/497062949.db2.gz QHBDPVBBFUJKKV-UHFFFAOYSA-N 1 0 351.516 3.112 40 0 FGABRO COC(=O)c1cccc(NC(=S)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000225729775 497072924 /nfs/dbraw/zinc/07/29/24/497072924.db2.gz XAEHFFSMHXPOQL-GJZGRUSLSA-N 1 0 363.527 3.128 40 0 FGABRO C[NH+]1CCC(NC(=S)Nc2ccc(Br)c(Cl)c2)CC1 ZINC000225799970 497075951 /nfs/dbraw/zinc/07/59/51/497075951.db2.gz JURWXILTRCXAJA-UHFFFAOYSA-N 1 0 362.724 3.483 40 0 FGABRO CCn1cc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOc2ccccn2)cn1 ZINC000249681485 497230952 /nfs/dbraw/zinc/23/09/52/497230952.db2.gz BIMHTULBYRSACT-IBGZPJMESA-N 1 0 370.497 3.138 40 0 FGABRO c1ccc(C[N@@H+]2CC[C@@H](c3nnn4cc(-c5ccncc5)ccc34)C2)nc1 ZINC000306122966 498737104 /nfs/dbraw/zinc/73/71/04/498737104.db2.gz AAYCDEJNOPXLHI-GOSISDBHSA-N 1 0 356.433 3.176 40 0 FGABRO Cc1ccc(C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c(F)c1Cl ZINC000333237241 498947676 /nfs/dbraw/zinc/94/76/76/498947676.db2.gz DFBCLBVHVAOONS-HIFRSBDPSA-N 1 0 354.853 3.146 40 0 FGABRO CC(=O)N[C@H]1[C@H](c2ccccc2)[N@H+](CCCc2ccccc2)CC[C@@]1(C)O ZINC000604382638 506808951 /nfs/dbraw/zinc/80/89/51/506808951.db2.gz WLBDPBPKMGZHHX-RJGXRXQPSA-N 1 0 366.505 3.322 40 0 biogenic,in-vitro FGABRO C[C@H]1CCC[N@H+](C[C@H]2CC3(CO2)CCN(C(=O)c2ccc(O)cc2)CC3)C1 ZINC000585103070 507568543 /nfs/dbraw/zinc/56/85/43/507568543.db2.gz CDAIHZRRAVLUQB-FXAWDEMLSA-N 1 0 372.509 3.135 40 0 FGABRO O=C(c1ccc(O)cc1)N1CCC[C@]2(CCC[N@@H+]2C[C@@H]2CCCO2)CC1 ZINC000585100338 507568891 /nfs/dbraw/zinc/56/88/91/507568891.db2.gz KNOSBLGIUSKMKL-FPOVZHCZSA-N 1 0 358.482 3.032 40 0 FGABRO CC(C)(C)[C@H]1CC[C@](O)(C[N@@H+]2CCC[C@]3(C)NC(=O)CCC[C@H]23)CC1 ZINC000585284605 507584068 /nfs/dbraw/zinc/58/40/68/507584068.db2.gz UBVYVUOLYHNSKT-IDPBPBMLSA-N 1 0 350.547 3.477 40 0 FGABRO CC1(C)CCC([N@@H+]2CCOC[C@](O)(COc3cc(F)cc(F)c3)C2)CC1 ZINC000585281741 507584999 /nfs/dbraw/zinc/58/49/99/507584999.db2.gz ADTLOCAAPPZAON-FQEVSTJZSA-N 1 0 369.452 3.376 40 0 FGABRO Cc1ccc2cc(C[NH2+]C[C@@H](O)COc3ccc(C)c(C)c3)c(=O)[nH]c2c1 ZINC000585286452 507585802 /nfs/dbraw/zinc/58/58/02/507585802.db2.gz ZYMRPYLNVFYZIQ-LJQANCHMSA-N 1 0 366.461 3.395 40 0 FGABRO CC(C)N1CC[NH+]([C@H]2CCC[C@@H](Oc3ccccc3Cl)[C@@H]2O)CC1 ZINC000585289025 507587063 /nfs/dbraw/zinc/58/70/63/507587063.db2.gz CYNXAWKJFWMJDQ-QXAKKESOSA-N 1 0 352.906 3.027 40 0 FGABRO Cc1cc2c[nH+]cn2c([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)n1 ZINC000257324370 534126649 /nfs/dbraw/zinc/12/66/49/534126649.db2.gz WOKSFCNNHXHTDB-SFHVURJKSA-N 1 0 352.413 3.473 40 0 FGABRO Cc1cccc(C[N@@H+]2CC[C@H](c3ccnc(Nc4cc(F)ccn4)n3)C2)n1 ZINC000257276604 534712360 /nfs/dbraw/zinc/71/23/60/534712360.db2.gz NULMBEQLXZSMGC-HNNXBMFYSA-N 1 0 364.428 3.447 40 0 FGABRO CC(C)CNC(=O)c1cnn2c1nccc2[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000306131093 528065211 /nfs/dbraw/zinc/06/52/11/528065211.db2.gz JWNUWSPDBARFHC-MRXNPFEDSA-N 1 0 369.513 3.237 40 0 FGABRO CCOc1ccccc1-c1cc(C(=O)N2CCC[C@]3(C)[NH2+]CCC[C@@H]23)[nH]n1 ZINC000257324251 528700840 /nfs/dbraw/zinc/70/08/40/528700840.db2.gz WNVSFVFHKOFOFT-CTNGQTDRSA-N 1 0 368.481 3.222 40 0 FGABRO C[N@@H+]1CCN(Cc2cscn2)C[C@@H](Cc2cnc3ccccc3c2)C1 ZINC000257271835 529775330 /nfs/dbraw/zinc/77/53/30/529775330.db2.gz MZYYADBHVXNTRD-KRWDZBQOSA-N 1 0 352.507 3.298 40 0 FGABRO C[NH+]1CCC(C(=O)N2CCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)CC1 ZINC000257265551 530047734 /nfs/dbraw/zinc/04/77/34/530047734.db2.gz LZDJSBIOYXQDEX-IBGZPJMESA-N 1 0 371.456 3.410 40 0 FGABRO CC(C)(C)c1cc(C[C@@H]2CC[C@H](O)[C@@H](C[NH2+]Cc3ccccc3)O2)no1 ZINC000077262486 291067106 /nfs/dbraw/zinc/06/71/06/291067106.db2.gz WVQUGJIWMWXKTP-GBESFXJTSA-N 1 0 358.482 3.213 40 0 biogenic,in-vitro FGABRO Cc1noc(C)c1-c1cc(C[C@H]2CC[N@H+](Cc3nccs3)C2)ncn1 ZINC000257287311 223050732 /nfs/dbraw/zinc/05/07/32/223050732.db2.gz PPJZHIZPAMKPJR-CQSZACIVSA-N 1 0 355.467 3.270 40 0 FGABRO C[NH+](C)Cc1ccnc([C@H]2CCCN2C(=O)C2CCC(F)(F)CC2)n1 ZINC000257297772 223056692 /nfs/dbraw/zinc/05/66/92/223056692.db2.gz RISSFPTVVXZLFZ-OAHLLOKOSA-N 1 0 352.429 3.027 40 0 FGABRO Cc1ncc(CNC(=O)Cc2ccc(Cl)cc2)c([C@H]2CCC[N@H+]2C)n1 ZINC000257336938 223070853 /nfs/dbraw/zinc/07/08/53/223070853.db2.gz YQRIWTBUAAANPV-QGZVFWFLSA-N 1 0 358.873 3.064 40 0 FGABRO COc1ccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4ccco4)C2)OC3)cc1 ZINC000306129335 223109177 /nfs/dbraw/zinc/10/91/77/223109177.db2.gz IAXJNHCWLZLRIH-NRFANRHFSA-N 1 0 365.433 3.327 40 0 FGABRO C[NH+](C)CCCNc1nc(Nc2ccc(F)c(Cl)c2)cc(C2CC2)n1 ZINC000329052657 223131194 /nfs/dbraw/zinc/13/11/94/223131194.db2.gz VDSPTPMUXSXFNE-UHFFFAOYSA-N 1 0 363.868 3.098 40 0 FGABRO Cc1ccc(Nc2cc(C(F)(F)F)nc(NCC[NH+](C)C)n2)c(Cl)c1 ZINC000329056732 223130724 /nfs/dbraw/zinc/13/07/24/223130724.db2.gz VUFNWOBOHVADDG-UHFFFAOYSA-N 1 0 373.810 3.018 40 0 FGABRO CCC(=O)N(c1ccccc1)C1CC[NH+]([C@H](O)Cc2ccccc2)CC1 ZINC000012649936 220015541 /nfs/dbraw/zinc/01/55/41/220015541.db2.gz SFGPUNPRPAPHFW-JOCHJYFZSA-N 1 0 352.478 3.455 40 0 FGABRO O=S(=O)(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)cc1 ZINC000015357115 220152339 /nfs/dbraw/zinc/15/23/39/220152339.db2.gz ZIIGBTCLIFNQRE-UHFFFAOYSA-N 1 0 362.470 3.290 40 0 FGABRO COc1ccccc1/C=C/C[N@H+]1C[C@H]2CCC[C@@H](C1)C2(O)c1nccn1C ZINC000019291357 220245567 /nfs/dbraw/zinc/24/55/67/220245567.db2.gz DDPMXSRHYSTGIU-MCVNZZMPSA-N 1 0 367.493 3.062 40 0 FGABRO Cn1nc(C(F)(F)F)cc1C(=O)N1CCCC[C@@H]1C[NH+]1CCCCCC1 ZINC000019288787 220246589 /nfs/dbraw/zinc/24/65/89/220246589.db2.gz UGYSNNHWJODKBQ-CQSZACIVSA-N 1 0 372.435 3.310 40 0 FGABRO CC(C)NC(=O)Cn1cc(C[NH+](C)C)c2ccnc(-c3cccs3)c21 ZINC000019449927 220258711 /nfs/dbraw/zinc/25/87/11/220258711.db2.gz UWNLPYISGAYUQJ-UHFFFAOYSA-N 1 0 356.495 3.351 40 0 FGABRO C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC(c2nc3ccccc3cc2N)CC1 ZINC000019496337 220261898 /nfs/dbraw/zinc/26/18/98/220261898.db2.gz BBLAZTQPRHNJLW-MRXNPFEDSA-N 1 0 366.509 3.397 40 0 FGABRO CN(C(=O)c1ccncc1)C1CCC2(CC1)C[N@H+](C)Cc1ccccc1O2 ZINC000019590889 220279142 /nfs/dbraw/zinc/27/91/42/220279142.db2.gz PXQQSWWEVYVQRX-UHFFFAOYSA-N 1 0 365.477 3.359 40 0 FGABRO Cc1cccc(CN(C)Cc2cc(N(C)C)nc([C@@H]3CCCC[NH2+]3)n2)c1 ZINC000019709863 220288850 /nfs/dbraw/zinc/28/88/50/220288850.db2.gz SJEBAFDTWGFOBG-IBGZPJMESA-N 1 0 353.514 3.298 40 0 FGABRO CC1(C)S[C@@H](C[NH3+])N[C@H]1C(=O)OC(c1ccccc1)c1ccccc1 ZINC000022796896 220398861 /nfs/dbraw/zinc/39/88/61/220398861.db2.gz VJDBJGIOWKYECA-WMZOPIPTSA-N 1 0 356.491 3.088 40 0 FGABRO CCOC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1ccccc1 ZINC000059616882 221126104 /nfs/dbraw/zinc/12/61/04/221126104.db2.gz WBPLFGZLXPQFKC-OAQYLSRUSA-N 1 0 352.478 3.326 40 0 FGABRO COc1cc(C)ccc1C[N@@H+]1CC[C@H](c2ncncc2-c2noc(C)n2)C1 ZINC000257213488 533655314 /nfs/dbraw/zinc/65/53/14/533655314.db2.gz CHUCKIADRIABGH-INIZCTEOSA-N 1 0 365.437 3.142 40 0 FGABRO Cn1cc(C[NH+]2CCC3(CC2)CC(=O)N(CC2CC2)c2ccccc23)cn1 ZINC000096080239 132218605 /nfs/dbraw/zinc/21/86/05/132218605.db2.gz OCEWFICHPLPUKU-UHFFFAOYSA-N 1 0 364.493 3.101 40 0 FGABRO CCC[NH+]1CCN(c2ncnc3c(-c4ccc(OC)cc4)nsc32)CC1 ZINC000004894961 132255409 /nfs/dbraw/zinc/25/54/09/132255409.db2.gz LFIXHLJITLVXKX-UHFFFAOYSA-N 1 0 369.494 3.294 40 0 FGABRO CCc1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc(N[C@@H](C)CC)[nH+]1 ZINC000328986978 132372382 /nfs/dbraw/zinc/37/23/82/132372382.db2.gz HZPQXIIMZOSBFM-GJZGRUSLSA-N 1 0 354.498 3.287 40 0 FGABRO CCc1cc(N2CCc3cc(OC)ccc3C2)nc(N[C@H](CO)C(C)C)[nH+]1 ZINC000329013938 132372667 /nfs/dbraw/zinc/37/26/67/132372667.db2.gz MRXFSRXMSYXFOY-LJQANCHMSA-N 1 0 370.497 3.039 40 0 FGABRO CC(C)c1nc(N2CCc3cc([C@H](C)O)ccc3C2)cc(N[C@@H](C)CO)[nH+]1 ZINC000329019896 132372686 /nfs/dbraw/zinc/37/26/86/132372686.db2.gz NYXFIDQVYQTSII-GJZGRUSLSA-N 1 0 370.497 3.009 40 0 FGABRO c1ccc(COC[C@H]2CC3(CO2)CC[NH+](Cc2ccccn2)CC3)nc1 ZINC000096106174 222025395 /nfs/dbraw/zinc/02/53/95/222025395.db2.gz ONSJLKRUBLSOGX-HXUWFJFHSA-N 1 0 353.466 3.065 40 0 FGABRO c1ccc(CC[N@@H+]2CCC[C@]3(C[C@@H](OCc4cccnc4)CO3)C2)cc1 ZINC000096107282 222025808 /nfs/dbraw/zinc/02/58/08/222025808.db2.gz XZGFTYLWPZAWHK-YADHBBJMSA-N 1 0 352.478 3.464 40 0 FGABRO Cc1ccc(C[NH+]2CCC3(CC[C@@H]3NC(=O)c3cnccn3)CC2)s1 ZINC000096051490 222003062 /nfs/dbraw/zinc/00/30/62/222003062.db2.gz PRWPEYBVRHPOLY-KRWDZBQOSA-N 1 0 356.495 3.021 40 0 FGABRO COc1ccc(C[N@@H+]2C[C@@H](OCc3ccncc3)[C@@H]3OCCC[C@@H]32)cc1 ZINC000096058130 222005352 /nfs/dbraw/zinc/00/53/52/222005352.db2.gz IEGIDXYZAOMDKD-PWRODBHTSA-N 1 0 354.450 3.039 40 0 FGABRO C[C@H]1C[N@H+](Cc2ccc(F)cc2)CC[C@]12CC[C@H](C(=O)NCC1CC1)O2 ZINC000096061290 222006600 /nfs/dbraw/zinc/00/66/00/222006600.db2.gz ASWYRJQGYYSZCZ-NYSBEXSLSA-N 1 0 360.473 3.112 40 0 FGABRO c1nc2c(n1CC1CC1)[C@H](COCc1cccnc1)C[N@H+](CC1CC1)C2 ZINC000096068677 222010457 /nfs/dbraw/zinc/01/04/57/222010457.db2.gz SVUTWROJDIVMFG-IBGZPJMESA-N 1 0 352.482 3.214 40 0 FGABRO O=C(Cc1cccnc1)N1CCC2(CC1)CC[NH+](Cc1ccoc1)CC2 ZINC000096071766 222012409 /nfs/dbraw/zinc/01/24/09/222012409.db2.gz CGVUIIWXJANABW-UHFFFAOYSA-N 1 0 353.466 3.122 40 0 FGABRO CN1C[C@@H](COCC2CC2)[C@H]2CC[N@H+](Cc3ccccc3)CC[C@H]2C1=O ZINC000096100526 222022545 /nfs/dbraw/zinc/02/25/45/222022545.db2.gz MACUWKKBKAGAAX-PWRODBHTSA-N 1 0 356.510 3.030 40 0 FGABRO Cc1ccccc1C[N@@H+]1CC[C@@]2(C1)COCc1cnc(NCC3CC3)nc12 ZINC000096244096 222099258 /nfs/dbraw/zinc/09/92/58/222099258.db2.gz FVZIIJNLDISDRH-JOCHJYFZSA-N 1 0 364.493 3.281 40 0 FGABRO CCN(CC)C(=O)c1nc2c(s1)CC[N@H+](Cc1cccc(OC)c1)CC2 ZINC000096147054 222048317 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Cc1ccccc1-c1cncc(C2CC[NH+](CC(=O)N3CCCC3)CC2)n1 ZINC000072359387 494157474 /nfs/dbraw/zinc/15/74/74/494157474.db2.gz YHDVJKKEVRBWAU-UHFFFAOYSA-N 1 0 364.493 3.254 40 0 FGABRO O=c1cc([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)nc(-c2ccncc2)[nH]1 ZINC000072392883 494161801 /nfs/dbraw/zinc/16/18/01/494161801.db2.gz HCGCSMCADAWSHO-QGZVFWFLSA-N 1 0 364.424 3.351 40 0 FGABRO O=c1cc([C@H]2CCC[N@H+](Cc3cccs3)C2)nc(-c2ccncc2)[nH]1 ZINC000072392890 494161904 /nfs/dbraw/zinc/16/19/04/494161904.db2.gz OQQPEFKGQDFBAZ-HNNXBMFYSA-N 1 0 352.463 3.273 40 0 FGABRO CCNC(=O)[C@@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCC[NH2+]C1 ZINC000072391901 494162066 /nfs/dbraw/zinc/16/20/66/494162066.db2.gz UPRLQDYIYOSTNA-JOCHJYFZSA-N 1 0 352.478 3.411 40 0 FGABRO O=c1cc([C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)nc(-c2ccccn2)[nH]1 ZINC000072393195 494163422 /nfs/dbraw/zinc/16/34/22/494163422.db2.gz TWIQMJOAMFABET-MRXNPFEDSA-N 1 0 364.424 3.351 40 0 FGABRO COc1c(C)cnc(C[N@@H+]2CCC[C@@H](n3c4ccccc4oc3=O)C2)c1C ZINC000012087599 494202964 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CNC(=O)[C@@]1(Cc2cc(C(C)C)no2)CC[N@H+](CCCc2ccccc2)C1 ZINC000019695844 494454550 /nfs/dbraw/zinc/45/45/50/494454550.db2.gz STQVKAKJNYQWFY-JOCHJYFZSA-N 1 0 369.509 3.411 40 0 FGABRO COc1ccc(C[N@@H+]2CC[C@@]3(C[C@@H](Nc4ncccc4F)CO3)C2)cc1 ZINC000107728589 494591346 /nfs/dbraw/zinc/59/13/46/494591346.db2.gz JUBQICUQWMOVFS-OXQOHEQNSA-N 1 0 357.429 3.075 40 0 FGABRO O[C@@H]1C[C@H]2CN(Cc3ccccc3Cl)[C@H](Cc3ccccc3)C[N@@H+]2C1 ZINC000095499961 494981102 /nfs/dbraw/zinc/98/11/02/494981102.db2.gz KKZOXUZTTJUWMY-HSALFYBXSA-N 1 0 356.897 3.202 40 0 FGABRO COc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)c2cccnc2)C3)cc1 ZINC000096047048 494997936 /nfs/dbraw/zinc/99/79/36/494997936.db2.gz ZXWXGHIQCOTINM-QFIPXVFZSA-N 1 0 365.477 3.219 40 0 FGABRO O=C(Cc1cccnc1)N1CCC[C@]2(CC[N@H+](Cc3ccsc3)C2)C1 ZINC000096047115 494998613 /nfs/dbraw/zinc/99/86/13/494998613.db2.gz RRNYYRMAHZOTLC-HXUWFJFHSA-N 1 0 355.507 3.200 40 0 FGABRO COc1ccc(C[NH+]2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)cc1 ZINC000096047893 494998984 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CC(C)c1nc(N2CCc3cc([C@H](C)O)ccc3C2)cc(NCCCO)[nH+]1 ZINC000329003927 499012341 /nfs/dbraw/zinc/01/23/41/499012341.db2.gz KPJLVNKCQYDHQI-HNNXBMFYSA-N 1 0 370.497 3.010 40 0 FGABRO O=C(c1nccc2ccccc21)N1CCC[C@@]2(CC[N@@H+]2C[C@@H]2CCCO2)C1 ZINC000585102107 507569068 /nfs/dbraw/zinc/56/90/68/507569068.db2.gz RVRDORXXJHDBFO-PGRDOPGGSA-N 1 0 365.477 3.094 40 0 FGABRO CC(=O)Nc1ccc(C[NH+]2CCC(O)(COc3ccc(C)cc3)CC2)cc1 ZINC000585272734 507581772 /nfs/dbraw/zinc/58/17/72/507581772.db2.gz QQQJJIFYJOAEEY-UHFFFAOYSA-N 1 0 368.477 3.359 40 0 FGABRO CCCC(CCC)[N@@H+]1CC[C@H](O)[C@@](O)(COc2cccc(Cl)c2)C1 ZINC000585282371 507583926 /nfs/dbraw/zinc/58/39/26/507583926.db2.gz ILUAQOLUQGPGLV-OALUTQOASA-N 1 0 355.906 3.485 40 0 FGABRO Cc1nn(CC[NH2+][C@@H]2CC[C@@H](Oc3ccc(Cl)cc3)[C@H]2O)c(C)c1C ZINC000585283729 507584196 /nfs/dbraw/zinc/58/41/96/507584196.db2.gz CECYBHXCHCIDHB-QRVBRYPASA-N 1 0 363.889 3.022 40 0 FGABRO c1ncc(C[NH+]2CCC(c3ccnc(Nc4cnccn4)c3)CC2)s1 ZINC000257273739 534541319 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FGABRO CC(C)CC[N@H+]1C[C@@H]2[C@H](C1)Oc1ccc(C(F)(F)F)cc1C(=O)N2C ZINC000514288641 560034351 /nfs/dbraw/zinc/03/43/51/560034351.db2.gz KSPHQLJUVYASFE-ZBFHGGJFSA-N 1 0 356.388 3.269 40 0 biogenic,in-vitro FGABRO C[N@@H+]1CCN(Cc2cncs2)C[C@@H](Cc2cccc3cccnc32)C1 ZINC000257295232 529775290 /nfs/dbraw/zinc/77/52/90/529775290.db2.gz QXNLXUXMTVMUDB-INIZCTEOSA-N 1 0 352.507 3.298 40 0 FGABRO CNC(=O)c1sc2ncccc2c1C1CC[NH+](Cc2cncs2)CC1 ZINC000257220948 529954820 /nfs/dbraw/zinc/95/48/20/529954820.db2.gz DMXNHLIEDYPSRT-UHFFFAOYSA-N 1 0 372.519 3.492 40 0 FGABRO CN(C)c1cc([C@@H]2CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)ccn1 ZINC000257219032 223025066 /nfs/dbraw/zinc/02/50/66/223025066.db2.gz DFIPMMKNIRNLFP-IBGZPJMESA-N 1 0 352.482 3.187 40 0 FGABRO Cc1cccnc1Nc1nccnc1[C@@H]1CCC[N@@H+](Cc2cncn2C)C1 ZINC000257257743 223039999 /nfs/dbraw/zinc/03/99/99/223039999.db2.gz KQWYNXRWAMYJPF-MRXNPFEDSA-N 1 0 363.469 3.037 40 0 FGABRO C[NH+](C)Cc1cccc([C@H]2CCCN2C(=O)COc2cccc(F)c2)n1 ZINC000257276971 223046810 /nfs/dbraw/zinc/04/68/10/223046810.db2.gz NVXLZCTZRLZGMY-LJQANCHMSA-N 1 0 357.429 3.025 40 0 FGABRO Cc1ccc(Nc2cc(C)[nH+]c([C@H]3CCN(S(=O)(=O)N(C)C)C3)c2)cc1 ZINC000257278841 223049011 /nfs/dbraw/zinc/04/90/11/223049011.db2.gz ODWDIMYFARNORB-INIZCTEOSA-N 1 0 374.510 3.038 40 0 FGABRO Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@H]1c1ccnc(Nc2cnccn2)c1 ZINC000257281613 223049634 /nfs/dbraw/zinc/04/96/34/223049634.db2.gz OQCWFBZADQRZEE-SFHVURJKSA-N 1 0 363.469 3.303 40 0 FGABRO Cn1ccnc1C(=O)N1[C@H](Cc2ccccc2)C[C@]2(C)[NH2+]CCCCC[C@H]12 ZINC000257326505 223067017 /nfs/dbraw/zinc/06/70/17/223067017.db2.gz WXKYHGHRANMUEQ-DXIQSLLYSA-N 1 0 366.509 3.168 40 0 FGABRO Cc1csc(Nc2nccnc2[C@@H]2CCC[N@H+](Cc3c[nH]nc3C)C2)n1 ZINC000257340710 223071642 /nfs/dbraw/zinc/07/16/42/223071642.db2.gz ZHGLMQUCZYKOBS-CQSZACIVSA-N 1 0 369.498 3.396 40 0 FGABRO c1ccc(CN2C[C@]3(CC[N@H+](Cc4cccnc4)C3)c3ncccc32)nc1 ZINC000306136640 223111958 /nfs/dbraw/zinc/11/19/58/223111958.db2.gz PYYVSYXWVQWVJM-JOCHJYFZSA-N 1 0 357.461 3.036 40 0 FGABRO C[NH+](C)CCCNc1nc(Nc2cc(Cl)ccc2F)cc(C2CC2)n1 ZINC000329042603 223130883 /nfs/dbraw/zinc/13/08/83/223130883.db2.gz SOWSPJGVTXKZLW-UHFFFAOYSA-N 1 0 363.868 3.098 40 0 FGABRO Cc1cc(F)ccc1Nc1cc(-c2ccccn2)nc(NCC[NH+](C)C)n1 ZINC000328957283 223126587 /nfs/dbraw/zinc/12/65/87/223126587.db2.gz AJVLPAKIPSHYCR-UHFFFAOYSA-N 1 0 366.444 3.125 40 0 FGABRO COc1ccc(CC[NH2+]C[C@@H](O)COCC2=CC[C@H]3C[C@@H]2C3(C)C)cc1 ZINC000012791970 220030544 /nfs/dbraw/zinc/03/05/44/220030544.db2.gz WLNQZNJOYYZTHB-ZVDOUQERSA-N 1 0 359.510 3.197 40 0 FGABRO COc1ccc(CC[NH2+]Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1OC ZINC000013998914 220101145 /nfs/dbraw/zinc/10/11/45/220101145.db2.gz XEXDPJWGSOOMCZ-UHFFFAOYSA-N 1 0 366.461 3.494 40 0 FGABRO COc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ccc(C)cc3)n2)cc1 ZINC000015674708 220159003 /nfs/dbraw/zinc/15/90/03/220159003.db2.gz KLFVKEUMLMEIGX-MJGOQNOKSA-N 1 0 365.433 3.362 40 0 biogenic,in-vitro FGABRO CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)C[N@@H+]2Cc1cccnc1 ZINC000019017780 220233643 /nfs/dbraw/zinc/23/36/43/220233643.db2.gz XMDLBIJFHDTVNY-NJDAHSKKSA-N 1 0 353.441 3.200 40 0 FGABRO CC(=O)N1Cc2ccccc2O[C@@H]([C@H]2CCC[N@H+](Cc3ccccn3)C2)C1 ZINC000019019671 220233925 /nfs/dbraw/zinc/23/39/25/220233925.db2.gz DAYGVGPYVOLATK-PGRDOPGGSA-N 1 0 365.477 3.103 40 0 FGABRO COc1ccccc1CC[NH2+]Cc1cc(-c2cccc(C)c2)cn2nnnc12 ZINC000019235296 220241904 /nfs/dbraw/zinc/24/19/04/220241904.db2.gz OFAYQGXZQAHGQV-UHFFFAOYSA-N 1 0 373.460 3.441 40 0 FGABRO O=c1cc(-c2ccccn2)nc([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)[nH]1 ZINC000019402433 220254893 /nfs/dbraw/zinc/25/48/93/220254893.db2.gz RILXQDZZXMMNKM-MRXNPFEDSA-N 1 0 364.424 3.351 40 0 FGABRO CC1CCN(C(=O)c2cc([C@@H]3CCC[N@H+](Cc4ccncc4)C3)no2)CC1 ZINC000019496768 220262076 /nfs/dbraw/zinc/26/20/76/220262076.db2.gz RTFXRUONLCABEP-GOSISDBHSA-N 1 0 368.481 3.321 40 0 FGABRO CCC[C@@H](c1nnnn1Cc1cccs1)N1CC[NH+](C2CCCC2)CC1 ZINC000019501957 220263431 /nfs/dbraw/zinc/26/34/31/220263431.db2.gz DEIOWZXJOVAWES-SFHVURJKSA-N 1 0 374.558 3.184 40 0 FGABRO COc1ccc2[nH]c(CN3CCC([NH+]4C[C@H](C)O[C@@H](C)C4)CC3)cc2c1 ZINC000019497377 220264099 /nfs/dbraw/zinc/26/40/99/220264099.db2.gz QXJUVXWLNPJYJH-HOTGVXAUSA-N 1 0 357.498 3.250 40 0 FGABRO CCCn1ncc(C(=O)N(CCc2ccccc2)C2CC[NH+](C)CC2)c1C ZINC000019525853 220268490 /nfs/dbraw/zinc/26/84/90/220268490.db2.gz CFQAVAGLLADHRR-UHFFFAOYSA-N 1 0 368.525 3.381 40 0 FGABRO CCOc1ccc(CN2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)cc1 ZINC000019533385 220268611 /nfs/dbraw/zinc/26/86/11/220268611.db2.gz MNMCRZDRCDMOGH-UHFFFAOYSA-N 1 0 362.433 3.201 40 0 FGABRO COCCC(=O)NC1CC[NH+](CC2(c3cccc(F)c3)CCCC2)CC1 ZINC000019593243 220279154 /nfs/dbraw/zinc/27/91/54/220279154.db2.gz HYUSSBOXXORGOU-UHFFFAOYSA-N 1 0 362.489 3.255 40 0 FGABRO CNc1cc(C)[nH+]c([C@@H]2CN(C(=O)CCc3cccc(F)c3)CCO2)c1 ZINC000257234596 533046321 /nfs/dbraw/zinc/04/63/21/533046321.db2.gz GUHASZYFARHUKM-IBGZPJMESA-N 1 0 357.429 3.104 40 0 FGABRO Cc1cc(C)c2cc(C[NH2+]Cc3cccs3)c3nn(C)c(=O)n3c2c1 ZINC000057811692 221094586 /nfs/dbraw/zinc/09/45/86/221094586.db2.gz ZTEXWRJNMVXJQX-UHFFFAOYSA-N 1 0 352.463 3.154 40 0 FGABRO COc1ccc(-c2cccc([C@H]3CCCN(C(=O)C[NH+](C)C)C3)n2)cc1 ZINC000072350112 221476983 /nfs/dbraw/zinc/47/69/83/221476983.db2.gz ZKTNISOICHDEGM-KRWDZBQOSA-N 1 0 353.466 3.025 40 0 FGABRO COc1ccc(C(=O)N2CCC[C@H]2c2ccc(C[NH+](C)C)cn2)cc1F ZINC000257226909 533301707 /nfs/dbraw/zinc/30/17/07/533301707.db2.gz FMRYZVSENJEMNS-SFHVURJKSA-N 1 0 357.429 3.268 40 0 FGABRO CC(C)c1cc(N2CCc3cc(Cl)ccc3C2)nc(N[C@@H](C)CO)[nH+]1 ZINC000329064505 132373139 /nfs/dbraw/zinc/37/31/39/132373139.db2.gz XKLGPIIFHBQZFA-ZDUSSCGKSA-N 1 0 360.889 3.031 40 0 FGABRO Cc1cccc(CO[C@@H]2COC3(C2)CC[NH+](Cc2cccnc2)CC3)n1 ZINC000096106805 222024686 /nfs/dbraw/zinc/02/46/86/222024686.db2.gz SPWDDPXIVQZZMT-FQEVSTJZSA-N 1 0 353.466 3.125 40 0 FGABRO c1ccc(CC[NH+]2CCC3(C[C@H](OCc4cccnc4)CO3)CC2)cc1 ZINC000096106768 222025480 /nfs/dbraw/zinc/02/54/80/222025480.db2.gz JXYJUUQQGLMAKK-NRFANRHFSA-N 1 0 352.478 3.464 40 0 FGABRO COc1ccccc1C[NH+]1CCC2(C[C@H](Oc3ccccn3)CO2)CC1 ZINC000096106996 222026195 /nfs/dbraw/zinc/02/61/95/222026195.db2.gz BQOWMKGDRQKYDX-SFHVURJKSA-N 1 0 354.450 3.293 40 0 FGABRO COc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(F)c4)C3)C2)cc1 ZINC000096050727 222001795 /nfs/dbraw/zinc/00/17/95/222001795.db2.gz BDUCPEYQZFOXIJ-NRFANRHFSA-N 1 0 354.425 3.463 40 0 FGABRO Cc1ccc(CN2CC[N@@H+]3C[C@H](OCc4cccc(C)n4)C[C@@H]3C2)s1 ZINC000096055086 222005775 /nfs/dbraw/zinc/00/57/75/222005775.db2.gz URJOYYSFRMYGFF-RTBURBONSA-N 1 0 357.523 3.235 40 0 FGABRO CC(C)[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3cccc4ncccc43)C2)C1 ZINC000096076228 222013805 /nfs/dbraw/zinc/01/38/05/222013805.db2.gz HFGZCIUEANNHLP-QFIPXVFZSA-N 1 0 367.493 3.198 40 0 FGABRO CN(C)c1cc([C@@H]2c3ccccc3CCCN2C(=O)[C@@H]2CCOC2)ccn1 ZINC000096087141 222017861 /nfs/dbraw/zinc/01/78/61/222017861.db2.gz RFCXIUNISPGZOO-WIYYLYMNSA-N 1 0 365.477 3.048 40 0 FGABRO CC(C)CNc1nc2c(cc1C(=O)N1CCCC1)CC[N@H+](CC(C)C)CC2 ZINC000096260544 222103698 /nfs/dbraw/zinc/10/36/98/222103698.db2.gz HYMNYJUUZDYZIG-UHFFFAOYSA-N 1 0 372.557 3.442 40 0 FGABRO CC(C)[N@@H+]1CC[C@@H](c2nnc3ccc(C(=O)Nc4ccccc4F)cn32)C1 ZINC000096267463 222107640 /nfs/dbraw/zinc/10/76/40/222107640.db2.gz CGTQTBGBBZUDQR-CQSZACIVSA-N 1 0 367.428 3.318 40 0 FGABRO COc1cccc(C[N@H+]2CCc3nc(C(=O)NCC(C)C)sc3CC2)c1 ZINC000096146983 222048551 /nfs/dbraw/zinc/04/85/51/222048551.db2.gz YDTXNPXKCIJELS-UHFFFAOYSA-N 1 0 373.522 3.138 40 0 FGABRO COC[C@H]1CCC2(CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)[N@@H+]1C ZINC000096207880 222077669 /nfs/dbraw/zinc/07/76/69/222077669.db2.gz FLONCDTVJJAPRP-CQSZACIVSA-N 1 0 354.853 3.195 40 0 FGABRO c1cncc(OC[C@@H]2COCCC23CC[NH+](Cc2ccncc2)CC3)c1 ZINC000096215583 222079682 /nfs/dbraw/zinc/07/96/82/222079682.db2.gz SDISEFMXTUZTDZ-IBGZPJMESA-N 1 0 353.466 3.174 40 0 FGABRO c1csc(CN2CCC[C@]3(CC[N@H+](Cc4ccc5c(c4)OCO5)C3)C2)n1 ZINC000096215725 222082341 /nfs/dbraw/zinc/08/23/41/222082341.db2.gz GRAWCLSPSHWNJL-FQEVSTJZSA-N 1 0 371.506 3.360 40 0 FGABRO O=C(c1cc2ccccc2[nH]1)N1CCC[C@]2(C[C@@H](C[NH+]3CCCC3)CO2)C1 ZINC000096228342 222089633 /nfs/dbraw/zinc/08/96/33/222089633.db2.gz RRALABDFEJQXSE-JTSKRJEESA-N 1 0 367.493 3.275 40 0 FGABRO C[NH2+]Cc1cc([C@H]2CC[C@H](CN(C)C(=O)C[C@H]3C=CCC3)CC2)nn1C ZINC000100687617 222249565 /nfs/dbraw/zinc/24/95/65/222249565.db2.gz XYKYWDWTDGVVSZ-OKZBNKHCSA-N 1 0 358.530 3.228 40 0 FGABRO C[NH2+]C[C@H]1CC[C@H](c2cc(CN(C)C(=O)C[C@@H]3C=CCC3)n(C)n2)CC1 ZINC000100687679 222249705 /nfs/dbraw/zinc/24/97/05/222249705.db2.gz APFTXEGDHXAHMH-KURKYZTESA-N 1 0 358.530 3.228 40 0 FGABRO CCCC[NH2+][C@@H](c1ccc2c(c1)OCO2)[C@@H](O)c1ccc2c(c1)OCO2 ZINC000001667306 493797530 /nfs/dbraw/zinc/79/75/30/493797530.db2.gz HVRXOTZKIFBAIX-PMACEKPBSA-N 1 0 357.406 3.308 40 0 FGABRO Cc1ccc([C@H](C)n2cc(C(=O)NCCC[NH+]3CCC(C)CC3)nn2)cc1 ZINC000004993911 493906851 /nfs/dbraw/zinc/90/68/51/493906851.db2.gz FXMAPLCJPTYHSW-SFHVURJKSA-N 1 0 369.513 3.048 40 0 FGABRO CN1CCC([N@@H+]2CC[C@H](c3nc4cc(C(F)(F)F)ccc4[nH]3)C2)CC1 ZINC000035446696 494077604 /nfs/dbraw/zinc/07/76/04/494077604.db2.gz FSEWQFCCBYYDSS-LBPRGKRZSA-N 1 0 352.404 3.465 40 0 biogenic,in-vitro FGABRO O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCN(c2ccccc2)CC1 ZINC000038835961 494118939 /nfs/dbraw/zinc/11/89/39/494118939.db2.gz MQHKVLNBNAXHLJ-NRFANRHFSA-N 1 0 363.505 3.247 40 0 FGABRO CC(C)(C)OC(=O)N1CCN(c2ccc([C@H]([NH3+])c3ccccc3)cn2)CC1 ZINC000072225575 494145689 /nfs/dbraw/zinc/14/56/89/494145689.db2.gz UXIXLCVUHHMEQZ-LJQANCHMSA-N 1 0 368.481 3.187 40 0 FGABRO COCCOc1ccc(C[N@@H+]2C[C@@H]3ON=C(c4ccc(C)cc4)[C@@H]3C2)cc1 ZINC000072343281 494154565 /nfs/dbraw/zinc/15/45/65/494154565.db2.gz HFJSOHIMRVEYOZ-RTWAWAEBSA-N 1 0 366.461 3.255 40 0 FGABRO COc1cc2c(cc1OC)[C@@H](C)[N@@H+]([C@@H]1CCCN(C(=O)C(C)C)C1)CC2 ZINC000072342511 494154580 /nfs/dbraw/zinc/15/45/80/494154580.db2.gz BBANAOAFNNVANU-NVXWUHKLSA-N 1 0 360.498 3.270 40 0 FGABRO COc1cccc(-c2cccc([C@H]3CCCN(C(=O)C[NH+](C)C)C3)n2)c1 ZINC000072350110 494156216 /nfs/dbraw/zinc/15/62/16/494156216.db2.gz LBKRIKVAGWFITJ-KRWDZBQOSA-N 1 0 353.466 3.025 40 0 FGABRO Cc1ccccc1-c1cncc(C2CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000072359672 494157163 /nfs/dbraw/zinc/15/71/63/494157163.db2.gz AMCROVWATXISGT-UHFFFAOYSA-N 1 0 364.493 3.254 40 0 FGABRO CC(=O)N1CC[N@H+](Cc2ccc(Cl)cc2)C[C@H](Cc2ccccn2)C1 ZINC000072355077 494157382 /nfs/dbraw/zinc/15/73/82/494157382.db2.gz CAWJNYJIIGRYBG-SFHVURJKSA-N 1 0 357.885 3.258 40 0 FGABRO CC(=O)NCc1cnc([C@@H]2CCC[N@@H+]2C2CCOCC2)cc1C(F)(F)F ZINC000072356201 494157608 /nfs/dbraw/zinc/15/76/08/494157608.db2.gz INMCJLFTVDXKFY-KRWDZBQOSA-N 1 0 371.403 3.052 40 0 FGABRO c1cc(CN2CCn3c(nnc3[C@@H]3CCC[NH2+]3)C2)cc(OC2CCCC2)c1 ZINC000072373968 494159873 /nfs/dbraw/zinc/15/98/73/494159873.db2.gz PMOPDVNGRVQIHP-IBGZPJMESA-N 1 0 367.497 3.040 40 0 FGABRO CCCc1ncc(C[N@@H+]2CCCC[C@H]3CN(C(=O)C4CCCC4)C[C@H]32)cn1 ZINC000072399156 494163797 /nfs/dbraw/zinc/16/37/97/494163797.db2.gz UIKSRZTVTDJOAX-VQTJNVASSA-N 1 0 370.541 3.432 40 0 FGABRO O[C@H](c1cccnc1)c1ccccc1N1CC[NH+](CC2CCCC2)CC1 ZINC000012089526 494203913 /nfs/dbraw/zinc/20/39/13/494203913.db2.gz LBMQDJRRIQMIGG-JOCHJYFZSA-N 1 0 351.494 3.476 40 0 FGABRO COc1ccc(-c2ocnc2C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000012115168 494205222 /nfs/dbraw/zinc/20/52/22/494205222.db2.gz JAEYVLJZZZSCCD-UHFFFAOYSA-N 1 0 369.465 3.441 40 0 FGABRO Cc1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccc3c4ccccc4n(C)c3c1)CC2 ZINC000012117857 494206342 /nfs/dbraw/zinc/20/63/42/494206342.db2.gz XLCDFHWAMLZLPL-UHFFFAOYSA-N 1 0 358.445 3.282 40 0 FGABRO COc1ccc([C@H]2[C@H]([NH2+]Cc3cnc(N(C)C)nc3)[C@@H]3CCC[C@@H]32)cc1 ZINC000012235184 494215584 /nfs/dbraw/zinc/21/55/84/494215584.db2.gz XGSSGNKOZAQNNX-MTQWCTHYSA-N 1 0 352.482 3.223 40 0 FGABRO COc1ccc([C@H]2[C@H]([NH2+]Cc3cnc(N(C)C)nc3)[C@H]3CCC[C@@H]32)cc1 ZINC000012235179 494216282 /nfs/dbraw/zinc/21/62/82/494216282.db2.gz XGSSGNKOZAQNNX-VNTMZGSJSA-N 1 0 352.482 3.223 40 0 FGABRO COc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1 ZINC000012329868 494225881 /nfs/dbraw/zinc/22/58/81/494225881.db2.gz SJKPVXRWVPWKOM-UXHICEINSA-N 1 0 369.461 3.079 40 0 FGABRO Cc1ccc([C@H](C)CC[N@@H+]2C[C@H]3NC(=O)c4ccccc4C(=O)[C@@]3(C)C2)o1 ZINC000012366426 494227822 /nfs/dbraw/zinc/22/78/22/494227822.db2.gz KVNQJJKUNQIILX-WTGRHJARSA-N 1 0 366.461 3.398 40 0 FGABRO Cc1ccc2c(c1)C[N@@H+](C)C[C@]1(CCCN(C(=O)Cc3ccccc3)C1)O2 ZINC000012366370 494227937 /nfs/dbraw/zinc/22/79/37/494227937.db2.gz ZBIXAIJXPJBBFR-QHCPKHFHSA-N 1 0 364.489 3.423 40 0 FGABRO CC1CC[NH+](CCCNC(=O)CN2c3cccc4cccc(c34)C2=O)CC1 ZINC000013675937 494292663 /nfs/dbraw/zinc/29/26/63/494292663.db2.gz WJIOKZHMLGTZIN-UHFFFAOYSA-N 1 0 365.477 3.038 40 0 FGABRO CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CC[N@@H+](C2CCCC2)C1 ZINC000019703354 494455303 /nfs/dbraw/zinc/45/53/03/494455303.db2.gz BVGYMGMKUFTYOA-OAQYLSRUSA-N 1 0 353.466 3.265 40 0 FGABRO COc1cc(C[N@@H+]2CC[C@H]3NC(=O)CCC[C@H]32)ccc1OC1CCCC1 ZINC000019713243 494456549 /nfs/dbraw/zinc/45/65/49/494456549.db2.gz CFAMIRXWKMPODI-QZTJIDSGSA-N 1 0 358.482 3.260 40 0 FGABRO CCOC[C@H](C[NH+](CC)CC)N(CC)CC(=O)Nc1c(C)cccc1C ZINC000022871036 494539672 /nfs/dbraw/zinc/53/96/72/494539672.db2.gz DIWYWVXXZQKSHS-IBGZPJMESA-N 1 0 363.546 3.311 40 0 FGABRO c1cncc(COC[C@]23CCCO[C@H]2CC[N@H+](Cc2ccncc2)C3)c1 ZINC000096040105 494997711 /nfs/dbraw/zinc/99/77/11/494997711.db2.gz PHLHKOLRWDDKET-LEWJYISDSA-N 1 0 353.466 3.065 40 0 FGABRO Fc1cccnc1OC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccncc1)C2 ZINC000096040477 494998238 /nfs/dbraw/zinc/99/82/38/494998238.db2.gz ZBWJZMOHNWESKS-AZUAARDMSA-N 1 0 357.429 3.066 40 0 FGABRO Cc1ccc(C[N@@H+]2CCC[C@]3(CCN(Cc4cccnc4)C3=O)C2)s1 ZINC000096048622 494999564 /nfs/dbraw/zinc/99/95/64/494999564.db2.gz HRQGMOZROLJSAI-FQEVSTJZSA-N 1 0 355.507 3.466 40 0 FGABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4ccncc4)C3=O)C2)s1 ZINC000096048659 495000046 /nfs/dbraw/zinc/00/00/46/495000046.db2.gz LFZSXTKAUDNGPH-HXUWFJFHSA-N 1 0 355.507 3.466 40 0 FGABRO COc1ccc(C)cc1C[N@@H+]1C[C@@H]2CC[C@](O)(c3ncccc3C)[C@H]2C1 ZINC000247942432 496930122 /nfs/dbraw/zinc/93/01/22/496930122.db2.gz VITLRXRNPGWSJZ-LQBOVUBWSA-N 1 0 352.478 3.437 40 0 FGABRO CCn1cc(C[N@@H+]2C[C@@H]3CCC[C@@](O)(c4ccc(F)cc4)[C@H]3C2)c(C)n1 ZINC000248046944 496947542 /nfs/dbraw/zinc/94/75/42/496947542.db2.gz VUTKKGDZKVMGFB-ORYQWCPZSA-N 1 0 357.473 3.470 40 0 FGABRO Cc1ccccc1C(=O)N1CCC2(C[N@H+](C)C[C@H]2COCC2CC2)CC1 ZINC000248081848 496952824 /nfs/dbraw/zinc/95/28/24/496952824.db2.gz QGFUIKNQZWBDPX-IBGZPJMESA-N 1 0 356.510 3.206 40 0 FGABRO CC[NH+]1CCN(c2cc(NC(=O)c3ccccc3C)c(N)cc2C)CC1 ZINC000216867812 496992841 /nfs/dbraw/zinc/99/28/41/496992841.db2.gz QIWJLCIBSGUVCA-UHFFFAOYSA-N 1 0 352.482 3.280 40 0 FGABRO COc1cccc(O[C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000224787251 497052975 /nfs/dbraw/zinc/05/29/75/497052975.db2.gz NKKZROGNFGCEPO-KRWDZBQOSA-N 1 0 368.477 3.375 40 0 FGABRO COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](C[NH3+])CC1 ZINC000257233520 497392967 /nfs/dbraw/zinc/39/29/67/497392967.db2.gz GPPUOYCDVFMQDC-FTRWYGJKSA-N 1 0 353.466 3.326 40 0 FGABRO Cc1ccc(C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c(F)c1Cl ZINC000333237245 498948078 /nfs/dbraw/zinc/94/80/78/498948078.db2.gz DFBCLBVHVAOONS-ZFWWWQNUSA-N 1 0 354.853 3.146 40 0 FGABRO c1ccc(C[NH+]2C[C@H]3CN(c4ccc(-c5ccncc5)nn4)C[C@@H]3C2)cc1 ZINC000409429235 499596237 /nfs/dbraw/zinc/59/62/37/499596237.db2.gz QGFRAOOKXWDGOU-PMACEKPBSA-N 1 0 357.461 3.107 40 0 FGABRO COc1cccc(C[NH+]2CC3(C2)C[C@H](OCC2CCOCC2)CS3)c1 ZINC000585104653 507569956 /nfs/dbraw/zinc/56/99/56/507569956.db2.gz KGZPKAOXNBOJET-IBGZPJMESA-N 1 0 363.523 3.198 40 0 FGABRO Cc1ccsc1C[N@H+]1CC[C@H](Cc2cnc(-c3nccn3C)cn2)C1 ZINC000585182454 507579918 /nfs/dbraw/zinc/57/99/18/507579918.db2.gz WVDONXQFJJNDGP-OAHLLOKOSA-N 1 0 353.495 3.312 40 0 FGABRO Cc1cc(OC[C@@]2(O)COCC[N@@H+](C3CCCCCC3)C2)ccc1F ZINC000585282354 507584081 /nfs/dbraw/zinc/58/40/81/507584081.db2.gz IFDUJPADTFCKNJ-FQEVSTJZSA-N 1 0 351.462 3.299 40 0 FGABRO CCCC(CCC)[N@@H+]1CC[C@H](O)[C@@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585284742 507584663 /nfs/dbraw/zinc/58/46/63/507584663.db2.gz ZOPKITCEXRGBPZ-PMACEKPBSA-N 1 0 353.478 3.279 40 0 FGABRO Cc1n[nH]c(C)c1CCC[NH2+][C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585288859 507585505 /nfs/dbraw/zinc/58/55/05/507585505.db2.gz AZXRJONWJVWMMM-XUVXKRRUSA-N 1 0 361.461 3.049 40 0 FGABRO COc1ccccc1-c1cnc2n1C[C@]1(CC[N@H+](Cc3ccccn3)C1)C2 ZINC000306143684 533913393 /nfs/dbraw/zinc/91/33/93/533913393.db2.gz YIXZZYWRJMQNTR-JOCHJYFZSA-N 1 0 360.461 3.402 40 0 FGABRO C[C@]12C[C@@H]3[NH2+][C@H]1CCC[C@H]2N(C(=O)c1ccccn1)[C@@H]3Cc1ccccc1 ZINC000257203455 534189735 /nfs/dbraw/zinc/18/97/35/534189735.db2.gz AQDDHYHOYZTPFU-FPQOSCNCSA-N 1 0 361.489 3.438 40 0 FGABRO Cc1cccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4cccnc4)C2)OC3)c1 ZINC000306139916 534551018 /nfs/dbraw/zinc/55/10/18/534551018.db2.gz UDTBLUNWCHRVGU-QFIPXVFZSA-N 1 0 360.461 3.428 40 0 FGABRO Cc1cnc([C@@H]2CCCN(C(=O)CC[N@@H+](C)Cc3cccnc3)C2)s1 ZINC000257282650 534627063 /nfs/dbraw/zinc/62/70/63/534627063.db2.gz OUQHXRGHNQEYJL-QGZVFWFLSA-N 1 0 358.511 3.075 40 0 FGABRO O=C1N[C@@H](c2ccccc2)[C@H](O)CC12CC[NH+](Cc1ccccc1F)CC2 ZINC000257204035 534794463 /nfs/dbraw/zinc/79/44/63/534794463.db2.gz ASTUIKRMMJQHEK-UXHICEINSA-N 1 0 368.452 3.030 40 0 FGABRO CC(=O)N[C@@H]1C[C@H](c2ccc(OCC[NH+](C)C)cc2)O[C@@H]2CCCC[C@@H]12 ZINC000257227090 526865568 /nfs/dbraw/zinc/86/55/68/526865568.db2.gz FNOJJILBEMLFCW-DOIPELPJSA-N 1 0 360.498 3.152 40 0 FGABRO CCNc1nc(C)c(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)[N@@H+]3C)s1 ZINC000257307197 528440771 /nfs/dbraw/zinc/44/07/71/528440771.db2.gz SXPHSYGCLKLUSW-ZTENYAIWSA-N 1 0 362.543 3.361 40 0 FGABRO CC(C)n1cnc([C@@H]2C[N@@H+](C3CCC3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306129316 528619255 /nfs/dbraw/zinc/61/92/55/528619255.db2.gz IAMHDMGPRYUSLX-GHTZIAJQSA-N 1 0 356.514 3.044 40 0 FGABRO CC(C)[N@@H+]1CCC[C@@](C)(c2ccc3c(N)c(C(=O)N(C)C)sc3n2)C1 ZINC000257220215 529018885 /nfs/dbraw/zinc/01/88/85/529018885.db2.gz DKAWXZRHHRMCQI-LJQANCHMSA-N 1 0 360.527 3.342 40 0 FGABRO CC(C)CC[N@H+]1C[C@@H]2[C@H](C1)Oc1cc(-c3cccnc3)ccc1C(=O)N2C ZINC000514290291 560029700 /nfs/dbraw/zinc/02/97/00/560029700.db2.gz XHGLXBYUBNHUCK-CTNGQTDRSA-N 1 0 365.477 3.312 40 0 biogenic,in-vitro FGABRO CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C[NH3+])COC)cc1 ZINC000218519756 222682724 /nfs/dbraw/zinc/68/27/24/222682724.db2.gz LIOYCOABXWMXEA-NJYVYQBISA-N 1 0 373.518 3.089 40 0 FGABRO C[NH+](C)Cc1cccc(-c2cccnc2C(=O)NCCc2ccccn2)c1 ZINC000257203770 223016928 /nfs/dbraw/zinc/01/69/28/223016928.db2.gz ARPDFNRRMCMRPP-UHFFFAOYSA-N 1 0 360.461 3.178 40 0 FGABRO CN(C)c1cc([C@H]2CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)ccn1 ZINC000257219033 223024694 /nfs/dbraw/zinc/02/46/94/223024694.db2.gz DFIPMMKNIRNLFP-LJQANCHMSA-N 1 0 352.482 3.187 40 0 FGABRO Cc1nccc(C[N@@H+]2CC[C@@H]3O[C@@](C)(COc4ccccc4)C[C@@H]3C2)n1 ZINC000257290331 223052240 /nfs/dbraw/zinc/05/22/40/223052240.db2.gz QCLNAZIPAYQBDN-JRGCBEDISA-N 1 0 353.466 3.234 40 0 FGABRO Cc1cc(C)nc(Nc2nccnc2[C@@H]2CCC[N@@H+]2CC2CCOCC2)n1 ZINC000257309512 223060384 /nfs/dbraw/zinc/06/03/84/223060384.db2.gz UBFKMHOVHKGEPN-KRWDZBQOSA-N 1 0 368.485 3.191 40 0 FGABRO Cc1cnc(Nc2nccnc2[C@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)s1 ZINC000257342525 223072732 /nfs/dbraw/zinc/07/27/32/223072732.db2.gz ZPAVRAJWMJKLHH-HNNXBMFYSA-N 1 0 369.498 3.098 40 0 FGABRO c1ccc(C[N@@H+]2CC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)nc1 ZINC000306127047 223106962 /nfs/dbraw/zinc/10/69/62/223106962.db2.gz FMNSYUGXZZRUTP-SFHVURJKSA-N 1 0 356.433 3.176 40 0 FGABRO Cc1cc(-c2cnc(NCCC[NH+](C)C)nc2-c2ccc(C)nc2)on1 ZINC000012337053 219983248 /nfs/dbraw/zinc/98/32/48/219983248.db2.gz RVTKHDZBTIOBFH-UHFFFAOYSA-N 1 0 352.442 3.174 40 0 FGABRO O=S(=O)(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccs1 ZINC000015357109 220152492 /nfs/dbraw/zinc/15/24/92/220152492.db2.gz YKKFRSCGMATHAC-UHFFFAOYSA-N 1 0 350.509 3.213 40 0 FGABRO O[C@@H]1C[C@@H](c2nc(-c3cccnc3)no2)N(Cc2ccc(Cl)cc2)C1 ZINC000015674486 220159532 /nfs/dbraw/zinc/15/95/32/220159532.db2.gz PIBYYHDGMBXHDP-CVEARBPZSA-N 1 0 356.813 3.093 40 0 biogenic,in-vitro FGABRO Cc1cnc(-c2nnc([C@@H]3CC[N@H+](Cc4ccccc4Cl)C3)o2)cn1 ZINC000019239189 220243302 /nfs/dbraw/zinc/24/33/02/220243302.db2.gz PVPICOALNLXFHR-CQSZACIVSA-N 1 0 355.829 3.478 40 0 FGABRO COc1ccc(C[N@H+]2C[C@H]3[C@H](CC[C@]3(O)c3ncccc3C)C2)c(F)c1 ZINC000019237865 220243402 /nfs/dbraw/zinc/24/34/02/220243402.db2.gz RGWXIAMOUJLHSV-FYINFDKHSA-N 1 0 356.441 3.267 40 0 FGABRO COc1cc2c(cc1OC)[C@@H]([C@H]1CCOC1)[NH2+][C@@H](c1ccc(C)cn1)C2 ZINC000019216057 220241361 /nfs/dbraw/zinc/24/13/61/220241361.db2.gz ATEWXAWKKULLCO-FIKMYACPSA-N 1 0 354.450 3.372 40 0 FGABRO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccccn1 ZINC000019400445 220254984 /nfs/dbraw/zinc/25/49/84/220254984.db2.gz MAAKULUYKHYINJ-YLJYHZDGSA-N 1 0 350.466 3.070 40 0 FGABRO CCc1c(C)nc([C@H]2CCC[N@H+](Cc3ccc(OC)c(OC)c3)C2)[nH]c1=O ZINC000019521549 220265303 /nfs/dbraw/zinc/26/53/03/220265303.db2.gz OJOJJJDUMUQRPN-INIZCTEOSA-N 1 0 371.481 3.038 40 0 FGABRO COc1cccc2c1OC[C@H](C(=O)N1CCCC[C@@H]1CC[NH+]1CCCC1)C2 ZINC000019568301 220274789 /nfs/dbraw/zinc/27/47/89/220274789.db2.gz LFRNTZMIMOCPSU-RTBURBONSA-N 1 0 372.509 3.113 40 0 FGABRO CNc1cc([C@@H]2CCCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)ccn1 ZINC000257225065 533053642 /nfs/dbraw/zinc/05/36/42/533053642.db2.gz FERHUDWIFPXEMW-LJQANCHMSA-N 1 0 352.482 3.205 40 0 FGABRO Cc1cc(C)n([C@H](C)C(=O)NCCNc2cc(C)[nH+]c3ccccc23)n1 ZINC000019660602 220282997 /nfs/dbraw/zinc/28/29/97/220282997.db2.gz RVDPCOYHQVIZKP-MRXNPFEDSA-N 1 0 351.454 3.146 40 0 FGABRO Cc1cc(C)n(C2CC[NH+](Cc3ccc(N4CCCC4=O)cc3)CC2)n1 ZINC000019657936 220283378 /nfs/dbraw/zinc/28/33/78/220283378.db2.gz TXIPSHOHXOPAGA-UHFFFAOYSA-N 1 0 352.482 3.464 40 0 FGABRO Cc1nn(C)cc1[C@@H](C)NC(=O)CC1CC[NH+](CCc2ccccc2)CC1 ZINC000019748247 220293740 /nfs/dbraw/zinc/29/37/40/220293740.db2.gz MZCFJINBHUNWIP-QGZVFWFLSA-N 1 0 368.525 3.251 40 0 FGABRO O=C(NCc1ccccc1-n1ccnc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000030873198 220629581 /nfs/dbraw/zinc/62/95/81/220629581.db2.gz HGNMPVKVSWDYES-UHFFFAOYSA-N 1 0 360.461 3.398 40 0 FGABRO CCN(C(=O)CCc1c(C)nn(-c2ccccc2)c1C)C1CC[NH+](C)CC1 ZINC000072391808 221492470 /nfs/dbraw/zinc/49/24/70/221492470.db2.gz GHGBOLZSYTWKMD-UHFFFAOYSA-N 1 0 368.525 3.364 40 0 FGABRO Cc1ccc(C[N@H+]2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)s1 ZINC000096050251 132217509 /nfs/dbraw/zinc/21/75/09/132217509.db2.gz QHJPFFRHYHTUCB-HXUWFJFHSA-N 1 0 373.497 3.119 40 0 FGABRO Cc1ccc(C[NH+]2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)s1 ZINC000096049230 132217513 /nfs/dbraw/zinc/21/75/13/132217513.db2.gz JMAWUGDHDAQZOI-UHFFFAOYSA-N 1 0 356.491 3.455 40 0 FGABRO Cc1ccc(C[N@H+]2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)s1 ZINC000096050252 132217539 /nfs/dbraw/zinc/21/75/39/132217539.db2.gz QHJPFFRHYHTUCB-FQEVSTJZSA-N 1 0 373.497 3.119 40 0 FGABRO c1coc(C[N@@H+]2C[C@@H]3CN(c4ncccn4)CC[C@]3(c3ccccc3)C2)c1 ZINC000247878628 132292067 /nfs/dbraw/zinc/29/20/67/132292067.db2.gz BHOFFDZNVARFKO-DENIHFKCSA-N 1 0 360.461 3.350 40 0 FGABRO Cc1nc([C@@H]2CCC[NH2+]C2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000257223341 132295220 /nfs/dbraw/zinc/29/52/20/132295220.db2.gz DWXOCMNKKBUNCA-GOSISDBHSA-N 1 0 364.493 3.164 40 0 FGABRO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)CO[C@H]2CCC[C@@H]2C)CC1 ZINC000023993788 132374117 /nfs/dbraw/zinc/37/41/17/132374117.db2.gz ASGBNDDPSCZXIH-QRFRQXIXSA-N 1 0 366.933 3.337 40 0 FGABRO Cc1ccc(OCC[C@@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1C ZINC000028295300 132374221 /nfs/dbraw/zinc/37/42/21/132374221.db2.gz UTAPTHMADRIHIF-OAQYLSRUSA-N 1 0 372.484 3.395 40 0 FGABRO Cc1ccc(C[N@@H+]2CC[C@]3(C[C@@H](OCC4CCOCC4)CO3)C2)s1 ZINC000096107736 222026151 /nfs/dbraw/zinc/02/61/51/222026151.db2.gz IGWGERXHMCTDNT-MJGOQNOKSA-N 1 0 351.512 3.233 40 0 FGABRO Cc1nc(CO[C@H]2CO[C@@]3(CC[N@H+](Cc4ccsc4)C3)C2)cs1 ZINC000096107783 222026605 /nfs/dbraw/zinc/02/66/05/222026605.db2.gz WLNITLAHRCHDPK-SJORKVTESA-N 1 0 350.509 3.463 40 0 FGABRO FC(F)(F)c1ccc2c(c1)nc1n2[C@@H](C[NH2+]Cc2cccnc2)COC1 ZINC000096112694 222029179 /nfs/dbraw/zinc/02/91/79/222029179.db2.gz ZCZXWFXBFLFKAG-AWEZNQCLSA-N 1 0 362.355 3.311 40 0 biogenic,in-vitro FGABRO Cc1ccc(C(=O)N2CCOC[C@@]3(CC[N@H+](Cc4cccs4)C3)C2)o1 ZINC000096062411 222009388 /nfs/dbraw/zinc/00/93/88/222009388.db2.gz WBXDWWYOPBSOCQ-LJQANCHMSA-N 1 0 360.479 3.014 40 0 FGABRO COCC[NH+]1CCC2(CC1)C[C@H](NCc1ccoc1)c1ccccc1O2 ZINC000096242755 222096978 /nfs/dbraw/zinc/09/69/78/222096978.db2.gz ZZVLDYPWFFEXDI-IBGZPJMESA-N 1 0 356.466 3.374 40 0 FGABRO O=S1(=O)c2ccccc2[C@@]2(CC[N@H+](CC3CC3)C2)N1Cc1ccccc1 ZINC000096261917 222104770 /nfs/dbraw/zinc/10/47/70/222104770.db2.gz FVVUSFLYSWKBAN-NRFANRHFSA-N 1 0 368.502 3.202 40 0 FGABRO Cc1nc(CO[C@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccncc2)C3)cs1 ZINC000096206970 222076769 /nfs/dbraw/zinc/07/67/69/222076769.db2.gz WFMFEJZCCKZYBF-MOPGFXCFSA-N 1 0 359.495 3.187 40 0 FGABRO C[N@@H+]1C[C@@H](COCc2cccnc2)[C@]2(CCN(Cc3cccs3)C2)C1 ZINC000096216622 222081362 /nfs/dbraw/zinc/08/13/62/222081362.db2.gz XFBUEYJTABYDNP-AZUAARDMSA-N 1 0 357.523 3.114 40 0 FGABRO Cc1ccc(C[N@H+]2CCC[C@@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)s1 ZINC000107228838 222392343 /nfs/dbraw/zinc/39/23/43/222392343.db2.gz USTHHVVYJDPNIW-VQIMIIECSA-N 1 0 358.511 3.106 40 0 FGABRO CCc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000008215670 263353118 /nfs/dbraw/zinc/35/31/18/263353118.db2.gz DKFZJPIYEHWWEU-HXUWFJFHSA-N 1 0 361.445 3.195 40 0 FGABRO CC[NH+](CC)CCOC(=O)[C@@](O)(c1ccccc1)c1ccc(C)cc1C ZINC000001710829 493797892 /nfs/dbraw/zinc/79/78/92/493797892.db2.gz SNKBOBDWDBNOPR-JOCHJYFZSA-N 1 0 355.478 3.424 40 0 FGABRO CC[NH+](CC)CCOC(=O)C(O)(c1ccccc1C)c1ccccc1C ZINC000001768930 493797940 /nfs/dbraw/zinc/79/79/40/493797940.db2.gz PUBCKQRENFVXBA-UHFFFAOYSA-N 1 0 355.478 3.424 40 0 FGABRO O=C(CN1CCC([NH+]2CCCCC2)CC1)Nc1ccccc1-n1cccc1 ZINC000004926771 493901021 /nfs/dbraw/zinc/90/10/21/493901021.db2.gz SQKXPFRBPDQSEU-UHFFFAOYSA-N 1 0 366.509 3.366 40 0 FGABRO C[NH+](C)CCNC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000005557597 493935098 /nfs/dbraw/zinc/93/50/98/493935098.db2.gz HBOMEZQHAGZWGL-UHFFFAOYSA-N 1 0 357.237 3.457 40 0 FGABRO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@H](O)C[N@H+](CCO)Cc1ccccc1 ZINC000006617318 493971279 /nfs/dbraw/zinc/97/12/79/493971279.db2.gz GLAIIEFQDDCTQE-GPQLQYNLSA-N 1 0 361.526 3.073 40 0 FGABRO COc1ccccc1[C@]1(O)CCC[N@H+](C[C@H](O)c2ccc3c(c2)CCC3)C1 ZINC000036741295 494097889 /nfs/dbraw/zinc/09/78/89/494097889.db2.gz WLTDFPCOGHSCOJ-GMAHTHKFSA-N 1 0 367.489 3.201 40 0 FGABRO O=S(=O)(Cc1ccc(Cl)cc1Cl)NCCC[NH+]1CCCCC1 ZINC000010280021 494148186 /nfs/dbraw/zinc/14/81/86/494148186.db2.gz JDWCMLCUBUWVGB-UHFFFAOYSA-N 1 0 365.326 3.289 40 0 FGABRO CCOc1ccc(C[NH+]2CCC(c3cc(N)n4nc(C)cc4n3)CC2)cc1 ZINC000072337305 494154025 /nfs/dbraw/zinc/15/40/25/494154025.db2.gz DIVUZIFPNBMDNP-UHFFFAOYSA-N 1 0 365.481 3.398 40 0 FGABRO NC(=O)c1cccc(-c2nccnc2[C@H]2CCC[N@H+](Cc3ccccn3)C2)c1 ZINC000072358621 494156695 /nfs/dbraw/zinc/15/66/95/494156695.db2.gz IURAIEUDTBBQFQ-SFHVURJKSA-N 1 0 373.460 3.017 40 0 FGABRO CCN(CC)C(=O)C[N@@H+]1CCCC[C@H]1c1nc(N)ncc1-c1ccccc1 ZINC000072376826 494159281 /nfs/dbraw/zinc/15/92/81/494159281.db2.gz DFCUCUYWKVAMDW-SFHVURJKSA-N 1 0 367.497 3.121 40 0 FGABRO Cc1cccnc1[C@]1(O)CC[C@H]2C[N@H+](Cc3ccc4c(c3)CCO4)C[C@H]21 ZINC000072392531 494161707 /nfs/dbraw/zinc/16/17/07/494161707.db2.gz YBOVBXYDJIPRTJ-JQVVWYNYSA-N 1 0 350.462 3.055 40 0 FGABRO CC(C)[N@@H+]1CC[C@](Cc2ccc(-c3ccccc3)cc2)(C(=O)NCCO)C1 ZINC000072391133 494162163 /nfs/dbraw/zinc/16/21/63/494162163.db2.gz TZYSGWFJGPRMRT-HSZRJFAPSA-N 1 0 366.505 3.105 40 0 FGABRO O=c1cc([C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)nc(-c2cccnc2)[nH]1 ZINC000072393050 494163997 /nfs/dbraw/zinc/16/39/97/494163997.db2.gz OENVYWXVSGMIOP-KRWDZBQOSA-N 1 0 364.424 3.351 40 0 FGABRO COc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2cccnc2)c(OC)c1 ZINC000012134956 494207284 /nfs/dbraw/zinc/20/72/84/494207284.db2.gz VJFNQGAQVLEKEO-QIDMFYOTSA-N 1 0 368.477 3.219 40 0 FGABRO COc1cccc(OC)c1C[NH+]1CCC(c2[nH]nc3ncccc32)CC1 ZINC000012143424 494208312 /nfs/dbraw/zinc/20/83/12/494208312.db2.gz XNQMZHZKSHKNCG-UHFFFAOYSA-N 1 0 352.438 3.355 40 0 FGABRO CCn1c(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4ccccn4)[C@@H]3C2)nc2ccccc21 ZINC000012221303 494215047 /nfs/dbraw/zinc/21/50/47/494215047.db2.gz HIQJVESEBJQOBH-JKSBSHDWSA-N 1 0 362.477 3.181 40 0 FGABRO Cc1cccc(C2(O)CC[NH+](C[C@H](O)c3ccc4c(c3)C[C@H](C)O4)CC2)c1 ZINC000012361310 494226561 /nfs/dbraw/zinc/22/65/61/494226561.db2.gz LOGIFICAZOISOG-UWJYYQICSA-N 1 0 367.489 3.335 40 0 FGABRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cc1csc(-c2ccccc2F)n1 ZINC000012362878 494226720 /nfs/dbraw/zinc/22/67/20/494226720.db2.gz IJHLHCXJCXRBJC-CQSZACIVSA-N 1 0 361.486 3.482 40 0 FGABRO Cc1nc([C@H]2CC[N@H+](Cc3ccccc3N3CCCCC3)C2)cc(=O)[nH]1 ZINC000019285274 494439427 /nfs/dbraw/zinc/43/94/27/494439427.db2.gz HIPMLQZNNPVJGQ-KRWDZBQOSA-N 1 0 352.482 3.058 40 0 FGABRO Cc1nc([C@@H]2CCC[N@@H+](C)C2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000019741462 494458273 /nfs/dbraw/zinc/45/82/73/494458273.db2.gz BXZKJHXMLDTZKT-QGZVFWFLSA-N 1 0 356.514 3.454 40 0 FGABRO CNc1cc(CN(C)Cc2cccc3cccnc32)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019759849 494459745 /nfs/dbraw/zinc/45/97/45/494459745.db2.gz ROEXSMXWLRIDLC-SFHVURJKSA-N 1 0 362.481 3.123 40 0 FGABRO O=S(=O)(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(Cl)cc1 ZINC000026843025 494841159 /nfs/dbraw/zinc/84/11/59/494841159.db2.gz ATQIABQGKBHGJV-UHFFFAOYSA-N 1 0 364.898 3.414 40 0 FGABRO Cn1c(C(=O)NCCC[NH+](C)C)cc2c1c1ccccc1n2CC1CC1 ZINC000096037423 494997424 /nfs/dbraw/zinc/99/74/24/494997424.db2.gz LXNHJMGVBMMSRH-UHFFFAOYSA-N 1 0 352.482 3.225 40 0 FGABRO Cc1cccc(CS(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000170657223 495549043 /nfs/dbraw/zinc/54/90/43/495549043.db2.gz YEAFQQDCITYUQE-UHFFFAOYSA-N 1 0 358.507 3.210 40 0 FGABRO CSc1nnc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)s1 ZINC000222606518 497025775 /nfs/dbraw/zinc/02/57/75/497025775.db2.gz HOPDYDXDZLRHPN-LBPRGKRZSA-N 1 0 366.487 3.250 40 0 FGABRO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1cc(Cl)ccc1OC ZINC000222896827 497029017 /nfs/dbraw/zinc/02/90/17/497029017.db2.gz RNTRTQHSNOVVIB-HNNXBMFYSA-N 1 0 374.934 3.282 40 0 FGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(N2CCCC2=O)c1 ZINC000224994847 497054981 /nfs/dbraw/zinc/05/49/81/497054981.db2.gz NTIHQWAYVIGEDI-GOSISDBHSA-N 1 0 357.498 3.198 40 0 FGABRO COc1ccc(NC(=S)NCCC[NH+]2CCCCCC2)cc1OC ZINC000225399174 497060820 /nfs/dbraw/zinc/06/08/20/497060820.db2.gz ILLBIYMISCGZPB-UHFFFAOYSA-N 1 0 351.516 3.256 40 0 FGABRO COC[C@@H]1C[N@H+](C)CC12CCN(C(=O)CCc1ccccc1Cl)CC2 ZINC000253612774 497346738 /nfs/dbraw/zinc/34/67/38/497346738.db2.gz CLCCCEVGWKGDRB-KRWDZBQOSA-N 1 0 364.917 3.089 40 0 FGABRO Cc1nc[nH]c1C[NH+]1CCC([C@]2(C)CN(c3ccc(F)cc3)C(=O)O2)CC1 ZINC000257319981 497402672 /nfs/dbraw/zinc/40/26/72/497402672.db2.gz VUVUBLCCPGTZHN-FQEVSTJZSA-N 1 0 372.444 3.485 40 0 FGABRO CCOC(=O)c1cccc(NC(=S)NCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000260739926 497405999 /nfs/dbraw/zinc/40/59/99/497405999.db2.gz QPRRIKJGLLGXDO-HNNXBMFYSA-N 1 0 363.527 3.272 40 0 FGABRO Cc1cccc(Cl)c1Nc1cc(C(F)(F)F)nc(NCC[NH+](C)C)n1 ZINC000329023894 499019007 /nfs/dbraw/zinc/01/90/07/499019007.db2.gz OWABFUYREUNWEW-UHFFFAOYSA-N 1 0 373.810 3.018 40 0 FGABRO Cc1cccc(C[N@@H+]2CCOC[C@]3(CC(=O)N(Cc4ccccc4)C3)C2)c1 ZINC000585103583 507570302 /nfs/dbraw/zinc/57/03/02/507570302.db2.gz DREBCVBJHYFEAV-HSZRJFAPSA-N 1 0 364.489 3.246 40 0 FGABRO C[C@@H](c1ccccc1)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccccc1)C2 ZINC000585105031 507570642 /nfs/dbraw/zinc/57/06/42/507570642.db2.gz YWLPSBFEKCPUKP-CVDCTZTESA-N 1 0 364.489 3.499 40 0 FGABRO O=C1C[C@@]2(CN1c1ccc(F)cc1)COCC[N@H+](Cc1ccccc1)C2 ZINC000585104569 507570811 /nfs/dbraw/zinc/57/08/11/507570811.db2.gz QNTILDBIOUPZHH-OAQYLSRUSA-N 1 0 354.425 3.081 40 0 FGABRO Cc1ccc2[nH]c(=O)c(C[NH2+]C[C@H](O)COc3cccc(C)c3C)cc2c1 ZINC000585285666 507583698 /nfs/dbraw/zinc/58/36/98/507583698.db2.gz RQHZJMFQQIZNBY-IBGZPJMESA-N 1 0 366.461 3.395 40 0 FGABRO COC1(COc2ccc(C)cc2C)CC[NH+](C2CCN(C(C)=O)CC2)CC1 ZINC000585281489 507584031 /nfs/dbraw/zinc/58/40/31/507584031.db2.gz JXYIYDRXWKNDMQ-UHFFFAOYSA-N 1 0 374.525 3.174 40 0 FGABRO Cc1ccc2[nH]c(=O)c(C[NH2+]C[C@@H](O)COc3c(C)cccc3C)cc2c1 ZINC000585286423 507586350 /nfs/dbraw/zinc/58/63/50/507586350.db2.gz ZJOQXUIKNNFOEF-LJQANCHMSA-N 1 0 366.461 3.395 40 0 FGABRO C[NH+](C)C/C=C/C(=O)N1CCC[C@@H]1c1csc(Nc2ccccn2)n1 ZINC000585292459 507586865 /nfs/dbraw/zinc/58/68/65/507586865.db2.gz MWGWFIPVOATJIK-RZIFZGNASA-N 1 0 357.483 3.063 40 0 FGABRO Cc1n[nH]cc1C[NH+]1CCC(c2nccnc2Nc2cccc(C)n2)CC1 ZINC000257210772 534852903 /nfs/dbraw/zinc/85/29/03/534852903.db2.gz BWCLBQICHFBSFM-UHFFFAOYSA-N 1 0 363.469 3.335 40 0 FGABRO Cc1nc(-c2noc3cc(Cl)ccc32)sc1C(=O)NCC[NH+](C)C ZINC000206345310 222625868 /nfs/dbraw/zinc/62/58/68/222625868.db2.gz UELGNMCVUZPJJW-UHFFFAOYSA-N 1 0 364.858 3.205 40 0 FGABRO C[N@@H+]1CC[C@@H](COCC2CCCC2)CC12CN(C(=O)C1CC(F)(F)C1)C2 ZINC000306143152 529794294 /nfs/dbraw/zinc/79/42/94/529794294.db2.gz XURYKJDUQAUCRP-MRXNPFEDSA-N 1 0 370.484 3.161 40 0 FGABRO CNC(=O)c1sc2ncccc2c1C1CC[NH+](Cc2cccnc2)CC1 ZINC000257281379 529954896 /nfs/dbraw/zinc/95/48/96/529954896.db2.gz OOXHMZYINMVSDN-UHFFFAOYSA-N 1 0 366.490 3.431 40 0 FGABRO C[NH+](C)Cc1ccc([C@@H]2CCCN2C(=O)c2cc(C(C)(C)C)n[nH]2)nc1 ZINC000257303894 223057949 /nfs/dbraw/zinc/05/79/49/223057949.db2.gz SJEHQTZLTBMJBS-KRWDZBQOSA-N 1 0 355.486 3.141 40 0 FGABRO Cc1cnc(Nc2nccnc2[C@@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)s1 ZINC000257342526 223073385 /nfs/dbraw/zinc/07/33/85/223073385.db2.gz ZPAVRAJWMJKLHH-OAHLLOKOSA-N 1 0 369.498 3.098 40 0 FGABRO COc1ccc(-c2cnc3n2C[C@@H]2C[N@@H+](Cc4ccccn4)C[C@H]2C3)cc1 ZINC000306126256 223106908 /nfs/dbraw/zinc/10/69/08/223106908.db2.gz DQYZLQZDJUSFPC-MSOLQXFVSA-N 1 0 360.461 3.258 40 0 FGABRO c1cc(C[N@@H+]2CC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)ccn1 ZINC000306128783 223108774 /nfs/dbraw/zinc/10/87/74/223108774.db2.gz HKGSRXPVUUJLOE-IBGZPJMESA-N 1 0 356.433 3.176 40 0 FGABRO COc1ccc(-c2cnc3n2C[C@@H]2C[N@@H+](Cc4cccnc4)C[C@H]2C3)cc1 ZINC000306142753 223114870 /nfs/dbraw/zinc/11/48/70/223114870.db2.gz XIJXTRFPPCNVSN-MOPGFXCFSA-N 1 0 360.461 3.258 40 0 FGABRO C[NH+](C)CCCNc1nc(Nc2ccc(O)cc2)cc(-c2ccccc2)n1 ZINC000329018365 223129441 /nfs/dbraw/zinc/12/94/41/223129441.db2.gz NQXLJODTMCLUJJ-UHFFFAOYSA-N 1 0 363.465 3.378 40 0 FGABRO CCCCn1nc(C)c2c1nc(C)cc2C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000017075780 220205852 /nfs/dbraw/zinc/20/58/52/220205852.db2.gz NUCVUUILXNRQHW-ALOPSCKCSA-N 1 0 369.513 3.203 40 0 FGABRO O=C(CCc1cccc(Cl)c1)N1CCC[C@@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019293373 220246798 /nfs/dbraw/zinc/24/67/98/220246798.db2.gz SCDOQOASCLOOLX-GOSISDBHSA-N 1 0 370.884 3.072 40 0 FGABRO NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CC[N@H+](Cc2cccnc2)C1 ZINC000019348481 220251214 /nfs/dbraw/zinc/25/12/14/220251214.db2.gz APNRVLOBICSDOG-QHCPKHFHSA-N 1 0 372.472 3.064 40 0 FGABRO O[C@@]1(c2ccccc2)CC[N@H+](Cc2cccc(OC[C@@H]3CCCO3)c2)C1 ZINC000019369769 220253160 /nfs/dbraw/zinc/25/31/60/220253160.db2.gz OGKGTIPNROVSPT-VXKWHMMOSA-N 1 0 353.462 3.338 40 0 FGABRO Fc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 ZINC000019348979 220254008 /nfs/dbraw/zinc/25/40/08/220254008.db2.gz JSVVPJGMTBTDQO-CWRNSKLLSA-N 1 0 365.403 3.320 40 0 FGABRO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](CC2CC2)C1)c1ccccn1 ZINC000019400448 220255087 /nfs/dbraw/zinc/25/50/87/220255087.db2.gz MAAKULUYKHYINJ-PXNSSMCTSA-N 1 0 350.466 3.070 40 0 FGABRO O=C1CCCC[C@]2(C[N@@H+](Cc3ccncc3)C[C@H]2c2cc(F)cc(F)c2)N1 ZINC000019405394 220256040 /nfs/dbraw/zinc/25/60/40/220256040.db2.gz DUJBGLQVXDVDLU-PZJWPPBQSA-N 1 0 371.431 3.388 40 0 FGABRO CC(C)[N@@H+]1CCC[C@@](Cc2cc(-c3ccccc3)no2)(C(=O)N(C)C)C1 ZINC000019447902 220257517 /nfs/dbraw/zinc/25/75/17/220257517.db2.gz BXJWOAGBAYGYBJ-NRFANRHFSA-N 1 0 355.482 3.463 40 0 FGABRO CCOc1ccccc1C[N@@H+]1CCC[C@H](c2cc(N)n3nc(C)cc3n2)C1 ZINC000019520176 220266544 /nfs/dbraw/zinc/26/65/44/220266544.db2.gz XNIAJWKRFYIBOY-INIZCTEOSA-N 1 0 365.481 3.398 40 0 FGABRO COc1ccc2c(c1)O[C@]1(CCC[N@H+](CC3CCCCC3)C1)CNC2=O ZINC000019562889 220272924 /nfs/dbraw/zinc/27/29/24/220272924.db2.gz JNYREQRAJMJDIY-OAQYLSRUSA-N 1 0 358.482 3.232 40 0 FGABRO COc1cccc(C[N@@H+]2CC[C@@]3(C2)CCc2ccccc2C(=O)N3)c1OC ZINC000019567712 220273563 /nfs/dbraw/zinc/27/35/63/220273563.db2.gz BZRSURDFVIIJIL-JOCHJYFZSA-N 1 0 366.461 3.025 40 0 FGABRO Cc1ncsc1C(=O)N(C)C1CCC2(CC1)C[NH2+]Cc1ccccc1O2 ZINC000019561978 220274684 /nfs/dbraw/zinc/27/46/84/220274684.db2.gz FTLFJDRWOVKKDZ-UHFFFAOYSA-N 1 0 371.506 3.387 40 0 FGABRO COc1ccc2c(c1)C(=O)NC[C@H]([C@H]1CCC[N@H+](Cc3ccccc3)C1)O2 ZINC000019562126 220274707 /nfs/dbraw/zinc/27/47/07/220274707.db2.gz WBKXQMHJBQCHOG-LAUBAEHRSA-N 1 0 366.461 3.098 40 0 FGABRO C[NH+](C)CCN(Cc1cccc(Oc2ncccn2)c1)Cc1ccccn1 ZINC000019582599 220275138 /nfs/dbraw/zinc/27/51/38/220275138.db2.gz AOWGFSYJNQBCDR-UHFFFAOYSA-N 1 0 363.465 3.228 40 0 FGABRO C[NH+](C)C1CCC2(CC1)CN(C(=O)[C@@H]1CCCCO1)Cc1ccccc1O2 ZINC000019583883 220276050 /nfs/dbraw/zinc/27/60/50/220276050.db2.gz UYABVMJXXPMIJP-JGBTYHIZSA-N 1 0 372.509 3.220 40 0 FGABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nn(C)c4nccnc34)C2)c(C)c1C ZINC000019577353 220276583 /nfs/dbraw/zinc/27/65/83/220276583.db2.gz NPCNGCRNOMEWNP-QGZVFWFLSA-N 1 0 365.481 3.368 40 0 FGABRO C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCC[N@@H+]3C[C@@H]3CCOC3)cc2N1 ZINC000019574847 220276415 /nfs/dbraw/zinc/27/64/15/220276415.db2.gz QSXDIHZYCFTLOZ-PAPYEOQZSA-N 1 0 358.408 3.364 40 0 FGABRO COc1c(C[N@@H+]2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)c(C)nn1C ZINC000019654488 220280042 /nfs/dbraw/zinc/28/00/42/220280042.db2.gz BTGDAQSNBSBHKP-OAHLLOKOSA-N 1 0 353.470 3.068 40 0 FGABRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cnc(N3CCOCC3)s2)cc1 ZINC000019715696 220290193 /nfs/dbraw/zinc/29/01/93/220290193.db2.gz RXXDIPVOYMXTHO-SFHVURJKSA-N 1 0 359.495 3.325 40 0 FGABRO Cc1cc(N2CCc3cc(Cl)ccc3C2)nc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000329051434 132373128 /nfs/dbraw/zinc/37/31/28/132373128.db2.gz UXEKBTFVUDWGGQ-KRWDZBQOSA-N 1 0 360.889 3.430 40 0 FGABRO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H](O)CO[C@@H]2CCC[C@@H]2C)CC1 ZINC000035093041 132374524 /nfs/dbraw/zinc/37/45/24/132374524.db2.gz ASGBNDDPSCZXIH-ILZDJORESA-N 1 0 366.933 3.337 40 0 FGABRO CC(=O)N1CCCc2cc([C@H](O)C[NH+]3CCC(C(F)(F)F)CC3)ccc21 ZINC000012291273 132855123 /nfs/dbraw/zinc/85/51/23/132855123.db2.gz WYRAZYJXYVWJNU-GOSISDBHSA-N 1 0 370.415 3.293 40 0 FGABRO Cc1ncsc1C[N@@H+]1CCC[C@]2(C[C@@H](OCc3ccncc3)CO2)C1 ZINC000096107308 222026651 /nfs/dbraw/zinc/02/66/51/222026651.db2.gz DDKJPRPSNWADQS-MJGOQNOKSA-N 1 0 359.495 3.187 40 0 FGABRO CCOC(=O)[C@@]12C[N@H+](CC(C)C)C[C@@H]1CN(Cc1ccsc1)CCC2 ZINC000096055926 222004497 /nfs/dbraw/zinc/00/44/97/222004497.db2.gz SEGQCQOWCKEPCO-ICSRJNTNSA-N 1 0 364.555 3.481 40 0 FGABRO Fc1ccccc1C[N@@H+]1CC[C@@]2(C1)COCc1cnc(NCC3CC3)nc12 ZINC000096080344 222016735 /nfs/dbraw/zinc/01/67/35/222016735.db2.gz MWXNNFWRVRZDAQ-OAQYLSRUSA-N 1 0 368.456 3.112 40 0 FGABRO c1cnc(N2CC3(CC[NH+](C4CCOCC4)CC3)c3ccccc32)nc1 ZINC000096241320 222096955 /nfs/dbraw/zinc/09/69/55/222096955.db2.gz JCRSQGBXAOXQTB-UHFFFAOYSA-N 1 0 350.466 3.141 40 0 FGABRO COCC[NH+]1CCC2(CC1)C[C@@H](NCc1ccoc1)c1ccccc1O2 ZINC000096242756 222097244 /nfs/dbraw/zinc/09/72/44/222097244.db2.gz ZZVLDYPWFFEXDI-LJQANCHMSA-N 1 0 356.466 3.374 40 0 FGABRO Cn1ccnc1C[NH+]1CCC2(CCC(CC(=O)N3CCCC3)CC2)CC1 ZINC000096159367 222057926 /nfs/dbraw/zinc/05/79/26/222057926.db2.gz HBHAEVPQSPJFPL-UHFFFAOYSA-N 1 0 358.530 3.205 40 0 FGABRO COc1cccc(C[NH+]2CCC3(CCN(c4ncc(F)cn4)C3)CC2)c1 ZINC000096157606 222058887 /nfs/dbraw/zinc/05/88/87/222058887.db2.gz VOHOETBSYRYSDN-UHFFFAOYSA-N 1 0 356.445 3.117 40 0 FGABRO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4ccccn4)C3)C2)c1 ZINC000096215635 222080592 /nfs/dbraw/zinc/08/05/92/222080592.db2.gz IMCFYVIVQKZEHD-JOCHJYFZSA-N 1 0 365.477 3.219 40 0 FGABRO O=C(CO[C@@H]1CC[N@@H+](C2CCC2)C[C@@H]1Cc1ccccc1)N1CCCC1 ZINC000096217301 222082636 /nfs/dbraw/zinc/08/26/36/222082636.db2.gz ABPDYNWBEKCWTA-PZJWPPBQSA-N 1 0 356.510 3.111 40 0 FGABRO O=C(c1c[nH]c2ccccc12)N1CCC[C@]2(C[C@H](C[NH+]3CCCC3)CO2)C1 ZINC000096228344 222089614 /nfs/dbraw/zinc/08/96/14/222089614.db2.gz PYTGIERHORANNY-VGSWGCGISA-N 1 0 367.493 3.275 40 0 FGABRO CCN1c2ccccc2C[C@](CCC[NH+](C)C)(C(N)=O)c2ccccc21 ZINC000001565846 493796973 /nfs/dbraw/zinc/79/69/73/493796973.db2.gz XMICEUIBPFXSGM-QFIPXVFZSA-N 1 0 351.494 3.466 40 0 FGABRO COc1cc2c(c(OC)c1OC)C[C@@H]1c3c(cc4c(c3-2)OCO4)CCN1C ZINC000002048887 493800329 /nfs/dbraw/zinc/80/03/29/493800329.db2.gz SQAYCDKOCYEIQZ-CQSZACIVSA-N 1 0 369.417 3.193 40 0 FGABRO CCOC(=O)C1CC[NH+](C[C@@H](O)COc2ccccc2[C@@H](C)CC)CC1 ZINC000002694457 493815300 /nfs/dbraw/zinc/81/53/00/493815300.db2.gz HMGVYESLOZTFDG-FUHWJXTLSA-N 1 0 363.498 3.215 40 0 FGABRO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc(Br)c1 ZINC000005671011 493939681 /nfs/dbraw/zinc/93/96/81/493939681.db2.gz KBULQBFCVZUFBT-GDBMZVCRSA-N 1 0 351.288 3.443 40 0 FGABRO COc1ccc(CCNC(=O)C[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000005720770 493940121 /nfs/dbraw/zinc/94/01/21/493940121.db2.gz LAWMEIHZZNVQFV-QZTJIDSGSA-N 1 0 360.498 3.017 40 0 FGABRO COc1ccc(C[N@H+](C)C[C@@H](O)COCC2=CC[C@@H]3C[C@H]2C3(C)C)cc1 ZINC000007063399 493998936 /nfs/dbraw/zinc/99/89/36/493998936.db2.gz LXVDMUCOTJZXFF-SFHLNBCPSA-N 1 0 359.510 3.497 40 0 FGABRO CCOC(=O)C1CCN(C(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)CC1 ZINC000035818574 494081187 /nfs/dbraw/zinc/08/11/87/494081187.db2.gz HABIYMSRTLRCAS-UHFFFAOYSA-N 1 0 372.509 3.334 40 0 FGABRO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)cc1 ZINC000036740092 494097958 /nfs/dbraw/zinc/09/79/58/494097958.db2.gz OHFCUSUNBNSSCT-QUCCMNQESA-N 1 0 373.403 3.033 40 0 FGABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000009062949 494113524 /nfs/dbraw/zinc/11/35/24/494113524.db2.gz RERTZDXKIRWFAM-UHFFFAOYSA-N 1 0 366.461 3.252 40 0 FGABRO Cc1cc2nc([C@@H]3CCC[N@H+](Cc4cc(F)ccc4F)C3)cc(N)n2n1 ZINC000072339787 494153794 /nfs/dbraw/zinc/15/37/94/494153794.db2.gz QYVLARWLGQRONQ-CYBMUJFWSA-N 1 0 357.408 3.278 40 0 FGABRO Cn1cc(C[N@@H+]2CCC[C@@H](c3cccc(-c4cccc(CO)c4)n3)C2)cn1 ZINC000072349969 494156377 /nfs/dbraw/zinc/15/63/77/494156377.db2.gz HEFLSTRRWUVUKL-HXUWFJFHSA-N 1 0 362.477 3.354 40 0 FGABRO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccnc(Nc3cnccn3)n2)cc1 ZINC000072377441 494159504 /nfs/dbraw/zinc/15/95/04/494159504.db2.gz FAQISDHPJNTDTR-SFHVURJKSA-N 1 0 362.437 3.356 40 0 FGABRO FC(F)(F)c1cc([C@@H]2CCC[NH2+]2)nc2[nH]nc(NCc3ccccn3)c21 ZINC000072380746 494161242 /nfs/dbraw/zinc/16/12/42/494161242.db2.gz ACPKCVCLSCPHII-LBPRGKRZSA-N 1 0 362.359 3.408 40 0 FGABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2nnc(-c3ccc(C)s3)o2)C1 ZINC000072390098 494162401 /nfs/dbraw/zinc/16/24/01/494162401.db2.gz HZGJQNHVSRUWJH-CQSZACIVSA-N 1 0 362.499 3.154 40 0 FGABRO Cc1cc(Oc2ccccc2F)nc([C@H]2CCCN2C(=O)C(C)(C)[NH3+])n1 ZINC000072384385 494162536 /nfs/dbraw/zinc/16/25/36/494162536.db2.gz PVRPYRJLNWXVMA-CQSZACIVSA-N 1 0 358.417 3.117 40 0 FGABRO CC(=O)N1Cc2ccccc2O[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000012087203 494202426 /nfs/dbraw/zinc/20/24/26/494202426.db2.gz SDSVRXAXJVBQCC-JOCHJYFZSA-N 1 0 350.462 3.462 40 0 FGABRO COc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)c(OC)c1 ZINC000012089063 494204033 /nfs/dbraw/zinc/20/40/33/494204033.db2.gz MOVJPCZSZRORGS-VSOVRNOCSA-N 1 0 368.477 3.219 40 0 FGABRO COc1ccc(C[N@@H+]2CCC[C@H](n3c4ccccc4oc3=O)C2)cc1OC ZINC000012119130 494205885 /nfs/dbraw/zinc/20/58/85/494205885.db2.gz HYUKNMATNFBKKI-INIZCTEOSA-N 1 0 368.433 3.449 40 0 FGABRO COc1cccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2ccccc2O3)c1 ZINC000012329993 494225895 /nfs/dbraw/zinc/22/58/95/494225895.db2.gz QRNVFCBDGINPCI-PMACEKPBSA-N 1 0 369.461 3.079 40 0 FGABRO Cc1cccc(C2(O)CC[NH+](C[C@@H](O)c3ccc4c(c3)C[C@H](C)O4)CC2)c1 ZINC000012361313 494226438 /nfs/dbraw/zinc/22/64/38/494226438.db2.gz LOGIFICAZOISOG-LAUBAEHRSA-N 1 0 367.489 3.335 40 0 FGABRO CCOc1cc2c(cc1C[NH+]1CCC(O)(c3cccnc3)CC1)O[C@@H](C)C2 ZINC000012363676 494226992 /nfs/dbraw/zinc/22/69/92/494226992.db2.gz HETKISADYXHSIF-INIZCTEOSA-N 1 0 368.477 3.287 40 0 FGABRO COc1cccc(N2CC[NH+](C[C@@H](O)c3cn(C)c4ccccc34)CC2)c1 ZINC000019290383 494440762 /nfs/dbraw/zinc/44/07/62/494440762.db2.gz DJLMCFFGMCLRIG-JOCHJYFZSA-N 1 0 365.477 3.043 40 0 FGABRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(OC)c(O)c1)Cc1ccccn1 ZINC000022912545 494542559 /nfs/dbraw/zinc/54/25/59/494542559.db2.gz GLBSPPUFVJFSNW-IBGZPJMESA-N 1 0 355.482 3.282 40 0 FGABRO Cc1csc(CN2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)n1 ZINC000247947815 496931674 /nfs/dbraw/zinc/93/16/74/496931674.db2.gz IYIJXWXQHHTWGO-LPHOPBHVSA-N 1 0 359.495 3.297 40 0 FGABRO Brc1ccc(-c2ccc3nnc([C@H]4CCC[NH2+]C4)n3n2)cc1 ZINC000217560236 496997969 /nfs/dbraw/zinc/99/79/69/496997969.db2.gz GGZSXUFWALUXJC-LBPRGKRZSA-N 1 0 358.243 3.021 40 0 FGABRO O=C(NCCOc1ccccc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000224550655 497050051 /nfs/dbraw/zinc/05/00/51/497050051.db2.gz NVUKQKSWGOZUOG-UHFFFAOYSA-N 1 0 356.441 3.233 40 0 FGABRO O=C(c1ccc(NC(=S)NCCC[NH+]2CCCC2)cc1)N1CCCCC1 ZINC000225434956 497062564 /nfs/dbraw/zinc/06/25/64/497062564.db2.gz QAGISFUKTSLVKZ-UHFFFAOYSA-N 1 0 374.554 3.085 40 0 FGABRO COc1ccc(NC(=S)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(OC)c1 ZINC000225727338 497072536 /nfs/dbraw/zinc/07/25/36/497072536.db2.gz NKNYGQSSWWINEY-GASCZTMLSA-N 1 0 365.543 3.358 40 0 FGABRO COc1ccc(NC(=S)NCCC[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000225735881 497073807 /nfs/dbraw/zinc/07/38/07/497073807.db2.gz KTDZVZUJZBONQG-CQSZACIVSA-N 1 0 351.516 3.112 40 0 FGABRO C[C@@H]1CCC[N@H+](CCCNC(=S)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000225737297 497074273 /nfs/dbraw/zinc/07/42/73/497074273.db2.gz ABWLSKQSAUTCSL-MRXNPFEDSA-N 1 0 374.554 3.222 40 0 FGABRO COc1cccc(OC)c1CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000225900948 497078713 /nfs/dbraw/zinc/07/87/13/497078713.db2.gz AUCUMCUVONHNJO-GOSISDBHSA-N 1 0 368.477 3.232 40 0 FGABRO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@@H](O)C[N@H+](CCO)Cc1ccccc1 ZINC000226721443 497085690 /nfs/dbraw/zinc/08/56/90/497085690.db2.gz GLAIIEFQDDCTQE-ITTUMRLJSA-N 1 0 361.526 3.073 40 0 FGABRO [NH3+]C[C@H]1CC[C@H]([C@@H](NC(=O)Cc2cccc(F)c2)c2ccccn2)CC1 ZINC000257337149 497405699 /nfs/dbraw/zinc/40/56/99/497405699.db2.gz YRPPMPPGADEFAZ-QLVMHMETSA-N 1 0 355.457 3.386 40 0 FGABRO Cc1ccc(Nc2cc(C(F)(F)F)nc(NCCC[NH+](C)C)n2)cc1 ZINC000328988996 499008045 /nfs/dbraw/zinc/00/80/45/499008045.db2.gz IHIJSTVVWDZIBU-UHFFFAOYSA-N 1 0 353.392 3.333 40 0 FGABRO c1ccc(OCC[C@@H]2CCOC23CC[NH+](CC2CCOCC2)CC3)nc1 ZINC000585105249 507572987 /nfs/dbraw/zinc/57/29/87/507572987.db2.gz RMSNUFNAKOUOBW-LJQANCHMSA-N 1 0 360.498 3.148 40 0 FGABRO Cn1ccnc1-c1cc(C[C@H]2CC[N@H+](Cc3cccc4[nH]ccc43)C2)ncn1 ZINC000585182568 507580582 /nfs/dbraw/zinc/58/05/82/507580582.db2.gz SGKKVXPGRKCSIM-MRXNPFEDSA-N 1 0 372.476 3.423 40 0 FGABRO O[C@@]1(COc2ccccc2F)CCC[N@H+](Cc2ccc3[nH]cnc3c2)CC1 ZINC000585270756 507582610 /nfs/dbraw/zinc/58/26/10/507582610.db2.gz QEOVCSOAQVYJQP-NRFANRHFSA-N 1 0 369.440 3.498 40 0 FGABRO Fc1cccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4cccnc4)C2)OC3)c1 ZINC000306123947 534512825 /nfs/dbraw/zinc/51/28/25/534512825.db2.gz BBEBWAYOXMRRCW-OAQYLSRUSA-N 1 0 364.424 3.259 40 0 FGABRO Cn1cc(-c2cnc3ncn(C4CC[NH+](CCC(C)(C)C)CC4)c3n2)cn1 ZINC000306126746 534718175 /nfs/dbraw/zinc/71/81/75/534718175.db2.gz FDYLNSFCRDTDBS-UHFFFAOYSA-N 1 0 367.501 3.300 40 0 FGABRO C[C@@H]1C[N@H+](C[C@H](Cc2ccccc2)C(N)=O)CC[C@]1(C)c1cccc(O)c1 ZINC000390823265 524974224 /nfs/dbraw/zinc/97/42/24/524974224.db2.gz XIXMDCGNWYDFMB-FHJLPGHOSA-N 1 0 366.505 3.336 40 0 FGABRO C[C@H](c1ccccc1F)n1cc(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)nn1 ZINC000245227861 526118843 /nfs/dbraw/zinc/11/88/43/526118843.db2.gz WVUUNZKCQDVQMJ-BZUAXINKSA-N 1 0 373.476 3.019 40 0 FGABRO O=C(Nc1ccc(Br)cc1Br)C1CC[NH2+]CC1 ZINC000037016018 527157827 /nfs/dbraw/zinc/15/78/27/527157827.db2.gz WMDCSRFWAFWJHU-UHFFFAOYSA-N 1 0 362.065 3.150 40 0 FGABRO CCCCCNC(=O)c1nc(-c2ccn(CC[NH+](C)C)c2)n2ccccc12 ZINC000306126642 528213811 /nfs/dbraw/zinc/21/38/11/528213811.db2.gz FASWCXBAPXAUCW-UHFFFAOYSA-N 1 0 367.497 3.284 40 0 FGABRO O=C(CSCc1ccccc1F)N1CCN(Cc2ccccc2)CC1 ZINC000222699637 568555096 /nfs/dbraw/zinc/55/50/96/568555096.db2.gz VCJPRSVGUXMTBD-UHFFFAOYSA-N 1 0 358.482 3.403 40 0 FGABRO CCN(CC)c1ccc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)cc1 ZINC000228937381 571278251 /nfs/dbraw/zinc/27/82/51/571278251.db2.gz XZDFCVFYWNHKGR-UHFFFAOYSA-N 1 0 365.485 3.341 40 0 FGABRO CCCc1n(CC)c2ccccc2[n+]1C[C@@H](O)COc1ccc(F)cc1 ZINC000000781941 219320562 /nfs/dbraw/zinc/32/05/62/219320562.db2.gz JUFHTFJMXXVBHL-QGZVFWFLSA-N 1 0 357.449 3.480 40 0 FGABRO c1ccc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOCc2ccncc2)nc1 ZINC000247910950 222954209 /nfs/dbraw/zinc/95/42/09/222954209.db2.gz YKSABPWCFZCXQJ-FQEVSTJZSA-N 1 0 367.493 3.455 40 0 FGABRO Cc1cc(-c2nccn2C)nc([C@@H]2CCC[N@H+](Cc3cncs3)C2)n1 ZINC000257215562 223023932 /nfs/dbraw/zinc/02/39/32/223023932.db2.gz CQRJLXBLRVYEPT-CQSZACIVSA-N 1 0 354.483 3.022 40 0 FGABRO C[NH+](C)Cc1cnn(-c2ccccc2C(=O)N2CCc3ccccc3C2)c1 ZINC000257251794 223037292 /nfs/dbraw/zinc/03/72/92/223037292.db2.gz JSGPDFMCGLUVFW-UHFFFAOYSA-N 1 0 360.461 3.132 40 0 FGABRO Cc1nc(Nc2nccnc2C2CC[NH+]([C@H]3CCOC3)CC2)sc1C ZINC000257262372 223043082 /nfs/dbraw/zinc/04/30/82/223043082.db2.gz LLDSKLSXPUDJJB-HNNXBMFYSA-N 1 0 359.499 3.262 40 0 FGABRO c1cc(C[NH+]2CCC(n3cnc4ncc(-c5cccnc5)nc43)CC2)co1 ZINC000306127760 223107098 /nfs/dbraw/zinc/10/70/98/223107098.db2.gz GGSFIQUQMVETIA-UHFFFAOYSA-N 1 0 360.421 3.318 40 0 FGABRO C[NH+](C)CCCNc1nc(Nc2ccc(F)cc2)cc(-c2ccccn2)n1 ZINC000329059585 223131120 /nfs/dbraw/zinc/13/11/20/223131120.db2.gz WHUDKOLFWSVBGC-UHFFFAOYSA-N 1 0 366.444 3.207 40 0 FGABRO C[NH+](C)CCNc1nc(Nc2ccc(Cl)cc2)cc(-c2ccncc2)n1 ZINC000328962069 223126700 /nfs/dbraw/zinc/12/67/00/223126700.db2.gz BGXKTCNLKMMEBD-UHFFFAOYSA-N 1 0 368.872 3.331 40 0 FGABRO O=S(=O)(Cc1ccccc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000015357167 220152333 /nfs/dbraw/zinc/15/23/33/220152333.db2.gz NHEDISGIBNLJQF-UHFFFAOYSA-N 1 0 358.507 3.292 40 0 FGABRO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000019081804 220235269 /nfs/dbraw/zinc/23/52/69/220235269.db2.gz ACSOWUPGCPNIGC-JENIJYKNSA-N 1 0 359.514 3.034 40 0 FGABRO CC(C)(C)Nc1c(C2CCN(C(=O)[C@@H]3CCOC3)CC2)[nH+]c2ccccn21 ZINC000019083122 220236197 /nfs/dbraw/zinc/23/61/97/220236197.db2.gz SHRFLCVTQYKWRB-MRXNPFEDSA-N 1 0 370.497 3.287 40 0 FGABRO Cc1cc2nc([C@H]3CCC[N@H+](Cc4cc(F)cc(F)c4)C3)cc(N)n2n1 ZINC000019129201 220238138 /nfs/dbraw/zinc/23/81/38/220238138.db2.gz SHIHVLQPMNESHV-AWEZNQCLSA-N 1 0 357.408 3.278 40 0 FGABRO Fc1ccc(C[N@@H+]2CCC[C@H](c3nnc(-c4cnccn4)o3)C2)cc1F ZINC000019292929 220247325 /nfs/dbraw/zinc/24/73/25/220247325.db2.gz ICNRSURGFCJITQ-ZDUSSCGKSA-N 1 0 357.364 3.184 40 0 FGABRO O=c1cc(-c2ccsc2)nc(C2CC[NH+](Cc3cccnc3)CC2)[nH]1 ZINC000019338985 220251602 /nfs/dbraw/zinc/25/16/02/220251602.db2.gz WNBZHJHLPHZHNN-UHFFFAOYSA-N 1 0 352.463 3.273 40 0 FGABRO c1ccc(C[C@@H]2C[N@@H+]3CCC[C@H]3CN2Cc2[nH]nnc2-c2ccccc2)cc1 ZINC000019372752 220252736 /nfs/dbraw/zinc/25/27/36/220252736.db2.gz ZWJDBHDRBSPPLE-LEWJYISDSA-N 1 0 373.504 3.363 40 0 FGABRO CC(C)C[C@H](c1nnnn1C1CCCC1)N1CC[NH+](C2CCCC2)CC1 ZINC000019446793 220257371 /nfs/dbraw/zinc/25/73/71/220257371.db2.gz AEKDRLNJOTUSGS-LJQANCHMSA-N 1 0 360.550 3.436 40 0 FGABRO CCCCn1nc(C)c(C[N@@H+]2CCc3nc(C(C)C)[nH]c(=O)c3CC2)c1C ZINC000019502409 220263894 /nfs/dbraw/zinc/26/38/94/220263894.db2.gz LIXASGRFIQXIJR-UHFFFAOYSA-N 1 0 371.529 3.108 40 0 FGABRO CCn1cc(CN2CC[NH+](CC3(c4ccc(C)cc4)CC3)CC2)c(C)n1 ZINC000019524586 220266403 /nfs/dbraw/zinc/26/64/03/220266403.db2.gz OEBYDEVKWLBDQC-UHFFFAOYSA-N 1 0 352.526 3.369 40 0 FGABRO CN(C(=O)c1ccccn1)C1CCC2(CC1)C[NH2+]Cc1ccccc1O2 ZINC000019586670 220278038 /nfs/dbraw/zinc/27/80/38/220278038.db2.gz JUELCTHOXXVHEX-UHFFFAOYSA-N 1 0 351.450 3.017 40 0 FGABRO Brc1ccc(-c2nc3ccccn3c2CN2CC[NH2+]CC2)cc1 ZINC000022464900 220386459 /nfs/dbraw/zinc/38/64/59/220386459.db2.gz XCNAIIPASDTWSP-UHFFFAOYSA-N 1 0 371.282 3.169 40 0 FGABRO CN1CCC([N@@H+]2CC[C@H](c3nnc(Cc4c[nH]c5ccccc45)o3)C2)CC1 ZINC000049169763 221020132 /nfs/dbraw/zinc/02/01/32/221020132.db2.gz RGTUGISRLXOOQI-HNNXBMFYSA-N 1 0 365.481 3.025 40 0 biogenic,in-vitro FGABRO COc1cccc(-c2ccc3nc([C@@H]4CCC[N@H+](C)C4)nn3c2)c1OC ZINC000306134120 533371113 /nfs/dbraw/zinc/37/11/13/533371113.db2.gz NDXBGJLOJVZUEA-OAHLLOKOSA-N 1 0 352.438 3.223 40 0 FGABRO c1coc(C[N@@H+]2C[C@H]3CN(c4ncccn4)CC[C@]3(c3ccccc3)C2)c1 ZINC000096083307 132218569 /nfs/dbraw/zinc/21/85/69/132218569.db2.gz BHOFFDZNVARFKO-SIKLNZKXSA-N 1 0 360.461 3.350 40 0 FGABRO COCCN1C(=O)CC2(CC[NH+](Cc3ccco3)CC2)c2ccccc21 ZINC000096080223 132218693 /nfs/dbraw/zinc/21/86/93/132218693.db2.gz QMBJCMACIFBDSL-UHFFFAOYSA-N 1 0 354.450 3.197 40 0 FGABRO CCNc1nc(N2CCc3cc(OC)c(OC)cc3C2)cc(C(C)C)[nH+]1 ZINC000329057229 132372947 /nfs/dbraw/zinc/37/29/47/132372947.db2.gz VWFTYLZWENCHCG-UHFFFAOYSA-N 1 0 356.470 3.034 40 0 FGABRO Cc1cccc(N2CC[NH+](C[C@H](O)c3c[nH]c4ccc(F)cc43)CC2)c1 ZINC000019235112 136152322 /nfs/dbraw/zinc/15/23/22/136152322.db2.gz KFRQIVSIHDGELR-NRFANRHFSA-N 1 0 353.441 3.471 40 0 FGABRO Cc1ccccc1N1CC[NH+](C[C@H](O)c2ccc3c(c2)OCCCO3)CC1 ZINC000019237305 136152344 /nfs/dbraw/zinc/15/23/44/136152344.db2.gz OUJGCIRNRQEYML-FQEVSTJZSA-N 1 0 368.477 3.012 40 0 FGABRO c1cc(C[NH+]2CCC3(C[C@H](OCC4CCOCC4)CO3)CC2)cs1 ZINC000096106680 222025491 /nfs/dbraw/zinc/02/54/91/222025491.db2.gz HFBNUDCTPCQQQU-SFHVURJKSA-N 1 0 351.512 3.315 40 0 FGABRO Cc1ccc(C[N@H+]2CC[C@H]3O[C@@H](C(=O)N4CCC(C)CC4)CC[C@H]32)s1 ZINC000096057539 222005260 /nfs/dbraw/zinc/00/52/60/222005260.db2.gz UIQOMTGXKWRFEH-GUDVDZBRSA-N 1 0 362.539 3.437 40 0 FGABRO Cn1ccnc1CN1CCC2(C[C@H]([NH+]3CCCC3)c3ccccc32)CC1 ZINC000096241550 222097367 /nfs/dbraw/zinc/09/73/67/222097367.db2.gz NKRYATDFDKCLJD-FQEVSTJZSA-N 1 0 350.510 3.495 40 0 FGABRO CC(C)Nc1nc2c(cc1C(=O)N(C)C)CC[N@H+](Cc1ccccc1)CC2 ZINC000096260431 222102970 /nfs/dbraw/zinc/10/29/70/222102970.db2.gz HOZHCPYGQALDHC-UHFFFAOYSA-N 1 0 366.509 3.205 40 0 FGABRO Cn1cccc1C(=O)N1CCC2(C1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096157586 222058909 /nfs/dbraw/zinc/05/89/09/222058909.db2.gz IODGXDWKCFFBRI-UHFFFAOYSA-N 1 0 355.457 3.293 40 0 FGABRO CN(C)C(=O)C[C@H]1CC2(CC[NH+](C3CCOCC3)CC2)c2ccccc21 ZINC000096161241 222062148 /nfs/dbraw/zinc/06/21/48/222062148.db2.gz IXTBVNQNAWDNMI-KRWDZBQOSA-N 1 0 356.510 3.165 40 0 FGABRO c1csc(C[N@H+]2CCC[C@]3(C[C@@H](OCC4CCOCC4)CO3)C2)c1 ZINC000096207993 222078520 /nfs/dbraw/zinc/07/85/20/222078520.db2.gz NIDYRTVIRQRXRG-MJGOQNOKSA-N 1 0 351.512 3.315 40 0 FGABRO c1ccc(OCC[N@@H+]2CCC[C@]3(CCN(Cc4ccccn4)C3)C2)cc1 ZINC000096216292 222081440 /nfs/dbraw/zinc/08/14/40/222081440.db2.gz ZPLOXTOUWXKXDZ-QFIPXVFZSA-N 1 0 351.494 3.449 40 0 FGABRO O=C(C1=CCCC1)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC000096217662 222082814 /nfs/dbraw/zinc/08/28/14/222082814.db2.gz FTERTRZUUCOPNI-RBBKRZOGSA-N 1 0 358.526 3.084 40 0 FGABRO C[N@@H+]1C[C@@H](COCc2ccccn2)[C@]2(CCN(Cc3cccs3)C2)C1 ZINC000096220453 222083137 /nfs/dbraw/zinc/08/31/37/222083137.db2.gz USACSPZLWATONC-FXAWDEMLSA-N 1 0 357.523 3.114 40 0 FGABRO Cc1ccc(C[N@H+]2CC[C@]3(C[C@@H](N(C)Cc4ccccn4)CO3)C2)s1 ZINC000107226808 222392285 /nfs/dbraw/zinc/39/22/85/222392285.db2.gz VPRXMYIKZUOSJM-QUCCMNQESA-N 1 0 357.523 3.317 40 0 FGABRO Cc1cc(C)n(Cc2ccc(C(=O)NCCC[NH+]3CCC(C)CC3)cc2)n1 ZINC000139643602 222545446 /nfs/dbraw/zinc/54/54/46/222545446.db2.gz IQJZQTTVFWUQGG-UHFFFAOYSA-N 1 0 368.525 3.400 40 0 FGABRO Cc1ccc([C@@H](C)n2cc(C(=O)NCCC[NH+]3CCC(C)CC3)nn2)cc1 ZINC000004993910 493906778 /nfs/dbraw/zinc/90/67/78/493906778.db2.gz FXMAPLCJPTYHSW-GOSISDBHSA-N 1 0 369.513 3.048 40 0 FGABRO NC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000030946254 493914468 /nfs/dbraw/zinc/91/44/68/493914468.db2.gz DYWVRAKOMCKWOJ-OAHLLOKOSA-N 1 0 371.868 3.290 40 0 FGABRO NC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000030946256 493914754 /nfs/dbraw/zinc/91/47/54/493914754.db2.gz DYWVRAKOMCKWOJ-HNNXBMFYSA-N 1 0 371.868 3.290 40 0 FGABRO CCCCOC(=O)c1ccc(NC(=O)CC[C@H](C)[NH+]2CCOCC2)cc1 ZINC000031924582 493966262 /nfs/dbraw/zinc/96/62/62/493966262.db2.gz KWVRQBPNVMQZIP-INIZCTEOSA-N 1 0 362.470 3.083 40 0 FGABRO COCCOc1ccnc(-c2noc([C@@H]3CCC[N@@H+]3CC(C)(C)C)n2)c1 ZINC000035425092 494076254 /nfs/dbraw/zinc/07/62/54/494076254.db2.gz KWADWTSQKBBZFY-INIZCTEOSA-N 1 0 360.458 3.340 40 0 biogenic,in-vitro FGABRO Cc1ccccc1C[N@@H+]1CCN2C(=O)N(Cc3ccc(F)cc3)C[C@H]2C1 ZINC000085436186 494125169 /nfs/dbraw/zinc/12/51/69/494125169.db2.gz JXLXJXGWGFWPJY-HXUWFJFHSA-N 1 0 353.441 3.256 40 0 biogenic,in-vitro FGABRO CC1(C)[C@H]2CC[C@]1(C)[C@H](OC[C@H](O)C[N@H+](CCO)Cc1ccccc1)C2 ZINC000009970713 494138193 /nfs/dbraw/zinc/13/81/93/494138193.db2.gz NWYPYGCCRUVMTM-GPQLQYNLSA-N 1 0 361.526 3.073 40 0 FGABRO COc1ccc([C@H](C)[NH2+]CC(=O)NC[C@H](C)c2ccccc2)cc1OC ZINC000041105113 494148170 /nfs/dbraw/zinc/14/81/70/494148170.db2.gz MBZMUGXRTFJWEK-HOTGVXAUSA-N 1 0 356.466 3.274 40 0 FGABRO Cc1nc([C@@H]2CCCC[N@@H+]2CCc2ccccc2)ncc1C(=O)N(C)C ZINC000072345461 494155022 /nfs/dbraw/zinc/15/50/22/494155022.db2.gz VUJQFRACVVKXCI-IBGZPJMESA-N 1 0 352.482 3.257 40 0 FGABRO COc1ccccc1-c1nccnc1[C@@H]1CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000072359058 494157265 /nfs/dbraw/zinc/15/72/65/494157265.db2.gz WNLDLYYYEDREKV-QGZVFWFLSA-N 1 0 363.465 3.265 40 0 FGABRO Nc1cc(-c2c[nH]nc2[C@@H]2CC[N@H+](CCOCc3ccccc3)C2)ccn1 ZINC000072370834 494159768 /nfs/dbraw/zinc/15/97/68/494159768.db2.gz OGRUSMPENHMUHG-GOSISDBHSA-N 1 0 363.465 3.060 40 0 FGABRO COc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](c3cc[nH]n3)C2)cc1CO ZINC000072395183 494163096 /nfs/dbraw/zinc/16/30/96/494163096.db2.gz MKVYTTYLWLGTNR-VQTJNVASSA-N 1 0 363.461 3.294 40 0 FGABRO COc1ccc(C2(C[NH+]3CCC(NC(=O)C4CC4)CC3)CCCC2)cc1 ZINC000072393436 494163570 /nfs/dbraw/zinc/16/35/70/494163570.db2.gz GMBPLPNFCDRBFM-UHFFFAOYSA-N 1 0 356.510 3.498 40 0 FGABRO COc1ccc(O[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000011714564 494188338 /nfs/dbraw/zinc/18/83/38/494188338.db2.gz FIVYXVWWYKUINR-KRWDZBQOSA-N 1 0 368.477 3.375 40 0 FGABRO CC(=O)N1Cc2cc(C)ccc2O[C@]2(CCC[N@H+](Cc3ccccn3)C2)C1 ZINC000012133247 494207338 /nfs/dbraw/zinc/20/73/38/494207338.db2.gz LKBYRHMCIMERBY-QFIPXVFZSA-N 1 0 365.477 3.166 40 0 FGABRO CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1 ZINC000012147458 494209325 /nfs/dbraw/zinc/20/93/25/494209325.db2.gz VLKZUSFRWCCRDU-QGZVFWFLSA-N 1 0 352.482 3.226 40 0 FGABRO c1ccc(-c2cnc(-c3ccncc3)c(C[NH2+]C[C@H]3COCCO3)c2)cc1 ZINC000012233852 494215820 /nfs/dbraw/zinc/21/58/20/494215820.db2.gz WTHKDJODOAJFIY-NRFANRHFSA-N 1 0 361.445 3.316 40 0 FGABRO Cc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@@H](O)c3ccccc3)CC1)O2 ZINC000012293339 494220322 /nfs/dbraw/zinc/22/03/22/494220322.db2.gz RHBAEUWDTMCWSD-VQTJNVASSA-N 1 0 353.462 3.379 40 0 FGABRO CC(C)(C)c1ccccc1NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000042646552 494233358 /nfs/dbraw/zinc/23/33/58/494233358.db2.gz MWSUHSAKYVNDAB-UHFFFAOYSA-N 1 0 359.514 3.348 40 0 FGABRO O=S(=O)(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Cl)cc1 ZINC000044871803 494385039 /nfs/dbraw/zinc/38/50/39/494385039.db2.gz HUJYKZPOTZWMHN-UHFFFAOYSA-N 1 0 364.898 3.414 40 0 FGABRO COc1ccc(OC[C@@H](C)[NH2+]Cc2cnc(N3CCC(C)CC3)nc2)cc1 ZINC000019497092 494445863 /nfs/dbraw/zinc/44/58/63/494445863.db2.gz GIPXDTKLMCBXGH-QGZVFWFLSA-N 1 0 370.497 3.279 40 0 FGABRO Cn1cc(C(=O)N2CCCCC[C@@H]3[NH2+][C@H](Cc4ccccc4)C[C@@]32C)cn1 ZINC000019713490 494455983 /nfs/dbraw/zinc/45/59/83/494455983.db2.gz ANVXFIWCQUGYJP-URVUXULASA-N 1 0 366.509 3.168 40 0 FGABRO CC1(C)S[C@H](C[NH3+])N[C@H]1C(=O)OC(c1ccccc1)c1ccccc1 ZINC000022862818 494538755 /nfs/dbraw/zinc/53/87/55/494538755.db2.gz VJDBJGIOWKYECA-AEFFLSMTSA-N 1 0 356.491 3.088 40 0 FGABRO CCN1CCn2c(C)cnc2C12CC[NH+](Cc1ccc(OC)cc1)CC2 ZINC000096037060 494997559 /nfs/dbraw/zinc/99/75/59/494997559.db2.gz PIGHVUDLIIANPP-UHFFFAOYSA-N 1 0 354.498 3.027 40 0 FGABRO O=C(c1cccnc1)N1CCC[C@@]2(CC[N@@H+](Cc3ccc(F)cc3)C2)C1 ZINC000096047046 494998071 /nfs/dbraw/zinc/99/80/71/494998071.db2.gz WJQSWWSLLPZXDX-NRFANRHFSA-N 1 0 353.441 3.349 40 0 FGABRO Fc1cccnc1OCC[C@H]1CCOC12CC[NH+](Cc1cccnc1)CC2 ZINC000247496232 496872757 /nfs/dbraw/zinc/87/27/57/496872757.db2.gz CZTSBRIEVWIJPN-SFHVURJKSA-N 1 0 371.456 3.456 40 0 FGABRO Cc1cncc(COCC[C@H]2CCOC3(C[NH+](CC4CCOCC4)C3)C2)c1 ZINC000247854058 496921611 /nfs/dbraw/zinc/92/16/11/496921611.db2.gz WVIBOBMWCNIESR-IBGZPJMESA-N 1 0 374.525 3.204 40 0 FGABRO c1ccc(C[N@@H+]2C[C@H]3CN(C4CC[NH+](Cc5ccccc5)CC4)[C@@H]3C2)cc1 ZINC000248135671 496960583 /nfs/dbraw/zinc/96/05/83/496960583.db2.gz ZPFGVAAOABTWTR-LADGPHEKSA-N 1 0 361.533 3.467 40 0 FGABRO Brc1ccc(-c2ccc3nnc([C@@H]4CCC[NH2+]C4)n3n2)cc1 ZINC000217560131 496998275 /nfs/dbraw/zinc/99/82/75/496998275.db2.gz GGZSXUFWALUXJC-GFCCVEGCSA-N 1 0 358.243 3.021 40 0 FGABRO S=C(Nc1ccccc1Cl)NC1CC[NH+](C2CCOCC2)CC1 ZINC000225212831 497058451 /nfs/dbraw/zinc/05/84/51/497058451.db2.gz FBUVGCPAIKVNMX-UHFFFAOYSA-N 1 0 353.919 3.270 40 0 FGABRO Cc1ccc(N2NC3(CC[NH+](Cc4ccccc4)CC3)NC2=S)cc1 ZINC000225350136 497060746 /nfs/dbraw/zinc/06/07/46/497060746.db2.gz NTCGFDAAPKGJRQ-UHFFFAOYSA-N 1 0 352.507 3.186 40 0 FGABRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000193130407 497309709 /nfs/dbraw/zinc/30/97/09/497309709.db2.gz UVPSKLPNUSQDCM-YJBOKZPZSA-N 1 0 352.544 3.429 40 0 FGABRO C[C@@H]1CCC[N@@H+](C2CCN(Cc3cnc(N4CCC[C@H](C)C4)nc3)CC2)C1 ZINC000253603139 497345414 /nfs/dbraw/zinc/34/54/14/497345414.db2.gz BHMOFUVINGKZKI-MOPGFXCFSA-N 1 0 371.573 3.409 40 0 FGABRO CC(C)C[N@@H+]1CC[C@@]12CCCN(C(=O)c1ccnc(C(F)(F)F)c1)C2 ZINC000585102076 507567613 /nfs/dbraw/zinc/56/76/13/507567613.db2.gz QIMCHCZMGAOITE-QGZVFWFLSA-N 1 0 355.404 3.437 40 0 FGABRO Cc1ccc(C2(C(=O)N3CCC[C@]4(CC[N@@H+]4C[C@@H]4CCCO4)C3)CC2)cc1 ZINC000585102052 507569157 /nfs/dbraw/zinc/56/91/57/507569157.db2.gz OPSRTHRDMXKSCO-UNMCSNQZSA-N 1 0 368.521 3.273 40 0 FGABRO Cc1ccc(OC[C@@H](O)C[NH2+]Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 ZINC000585284980 507583733 /nfs/dbraw/zinc/58/37/33/507583733.db2.gz MRKFDYQQWHHOIB-SFHVURJKSA-N 1 0 366.461 3.395 40 0 FGABRO Cc1ccccc1O[C@@H]1CCC[C@H]([NH2+]CCOc2cccc(F)c2)[C@H]1O ZINC000585288567 507585663 /nfs/dbraw/zinc/58/56/63/507585663.db2.gz DVHAFEDQYUDZJD-CEWLAPEOSA-N 1 0 359.441 3.464 40 0 FGABRO COc1ccccc1CC[NH2+][C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585289301 507586301 /nfs/dbraw/zinc/58/63/01/507586301.db2.gz HSZCYNRNCZMMMT-CEWLAPEOSA-N 1 0 359.441 3.327 40 0 FGABRO Cc1ccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4cccnc4)C2)OC3)cc1 ZINC000306128477 534197038 /nfs/dbraw/zinc/19/70/38/534197038.db2.gz HBFCMTMGYPKPJF-JOCHJYFZSA-N 1 0 360.461 3.428 40 0 FGABRO Fc1ccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4ccccn4)C2)OC3)cc1 ZINC000306125272 534453759 /nfs/dbraw/zinc/45/37/59/534453759.db2.gz CLCRNHWTWBDIKB-OAQYLSRUSA-N 1 0 364.424 3.259 40 0 FGABRO Cc1cccc(C[N@@H+]2CC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)n1 ZINC000306124242 534712101 /nfs/dbraw/zinc/71/21/01/534712101.db2.gz BKKCQDSPNFDOIA-IBGZPJMESA-N 1 0 370.460 3.484 40 0 FGABRO Cc1n[nH]cc1C[N@H+]1CC[C@H](c2c3cccnc3sc2C(=O)N(C)C)C1 ZINC000257330392 534855479 /nfs/dbraw/zinc/85/54/79/534855479.db2.gz XODZWUOEMACPQA-ZDUSSCGKSA-N 1 0 369.494 3.019 40 0 FGABRO Cc1nc(-c2nccn2C)cc(C2CC[NH+](Cc3cncs3)CC2)n1 ZINC000257245556 534867398 /nfs/dbraw/zinc/86/73/98/534867398.db2.gz IQBYSQSLSOZLPY-UHFFFAOYSA-N 1 0 354.483 3.022 40 0 FGABRO CC[NH+](CC)C[C@H]1CO[C@@H]2CN(C(=O)CCc3ccccc3Cl)C[C@H]12 ZINC000306136144 528185984 /nfs/dbraw/zinc/18/59/84/528185984.db2.gz PKSDJKFLBKTTKF-YQVWRLOYSA-N 1 0 364.917 3.088 40 0 FGABRO CCc1cc(N2CCOCC2)nc(C2=CC[N@H+](Cc3ccccc3)CC2)n1 ZINC000072339569 536146176 /nfs/dbraw/zinc/14/61/76/536146176.db2.gz KTFCGBQLFUAHIU-UHFFFAOYSA-N 1 0 364.493 3.165 40 0 FGABRO CN1C(=O)c2ccc(-c3cccnc3)cc2O[C@H]2C[N@H+](C3CCCC3)C[C@H]21 ZINC000514289211 560032926 /nfs/dbraw/zinc/03/29/26/560032926.db2.gz GEJOSUOQHROTKU-CTNGQTDRSA-N 1 0 363.461 3.208 40 0 biogenic,in-vitro FGABRO C[NH+](C)CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cn1 ZINC000225941165 222880232 /nfs/dbraw/zinc/88/02/32/222880232.db2.gz PQAAEYRQSZENRB-UHFFFAOYSA-N 1 0 359.857 3.346 40 0 FGABRO Cc1c[nH]c(-c2cncc(C3CC[NH+](Cc4scnc4C)CC3)n2)n1 ZINC000257263323 223042194 /nfs/dbraw/zinc/04/21/94/223042194.db2.gz LPHWCTOQQPCJSE-UHFFFAOYSA-N 1 0 354.483 3.320 40 0 FGABRO Cc1ncsc1C[NH+]1CCC(Cc2cncc(-c3ncc[nH]3)n2)CC1 ZINC000257269832 223045846 /nfs/dbraw/zinc/04/58/46/223045846.db2.gz MROSZACXMBZYKE-UHFFFAOYSA-N 1 0 354.483 3.086 40 0 FGABRO [NH3+]Cc1cnn(-c2ccccc2C(=O)NCc2cccc3ccccc32)c1 ZINC000257271198 223045871 /nfs/dbraw/zinc/04/58/71/223045871.db2.gz MXHCAYHJNXFXKQ-UHFFFAOYSA-N 1 0 356.429 3.414 40 0 FGABRO Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H](Cc3cncc4ccccc43)C2)cn1 ZINC000257284052 223050075 /nfs/dbraw/zinc/05/00/75/223050075.db2.gz PBBOIBAUGAQCSB-GOSISDBHSA-N 1 0 374.488 3.185 40 0 FGABRO C[C@@]12C[C@H]3[C@@H](Cc4ccccc4)[NH2+][C@@H]1CCC[C@@H]2N3C(=O)c1cccnc1 ZINC000257273867 223047183 /nfs/dbraw/zinc/04/71/83/223047183.db2.gz NINXWLYXGXAIQA-HVJVJISESA-N 1 0 361.489 3.438 40 0 FGABRO Cc1cc(F)ccc1Nc1cc(C(F)(F)F)nc(NCCC[NH+](C)C)n1 ZINC000328974224 223126797 /nfs/dbraw/zinc/12/67/97/223126797.db2.gz FEHJSZAOLZSPSX-UHFFFAOYSA-N 1 0 371.382 3.472 40 0 FGABRO C[NH+](C)CCNc1nc(Nc2ccc(Cl)cc2)cc(C(F)(F)F)n1 ZINC000329020802 223129150 /nfs/dbraw/zinc/12/91/50/223129150.db2.gz OCTHRBKPBJWUEQ-UHFFFAOYSA-N 1 0 359.783 3.288 40 0 FGABRO C[NH+](C)[C@H](CNC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1ccc(F)cc1 ZINC000012198403 219966203 /nfs/dbraw/zinc/96/62/03/219966203.db2.gz XTEPIYJYJSFDFK-SJLPKXTDSA-N 1 0 362.832 3.202 40 0 FGABRO CCCOc1ccc(N2C(=O)C[C@@H]([N@H+]3C[C@@H]4CCCC[C@@H]4C3)C2=O)cc1 ZINC000015084255 220146893 /nfs/dbraw/zinc/14/68/93/220146893.db2.gz SGNKJFGZXJBOKV-JTDSTZFVSA-N 1 0 356.466 3.229 40 0 FGABRO COc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ccc(F)cc3)n2)cc1 ZINC000015674686 220158766 /nfs/dbraw/zinc/15/87/66/220158766.db2.gz RFUXIVXEYDEMOZ-AEFFLSMTSA-N 1 0 369.396 3.192 40 0 biogenic,in-vitro FGABRO Cc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ccccc3)n2)cc1F ZINC000015674298 220159632 /nfs/dbraw/zinc/15/96/32/220159632.db2.gz WBZNZYKVWVPMHL-AEFFLSMTSA-N 1 0 353.397 3.492 40 0 biogenic,in-vitro FGABRO O=C(C[NH2+]Cc1ccc(F)cc1)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000015935899 220171983 /nfs/dbraw/zinc/17/19/83/220171983.db2.gz JOIRGDMMEFWVGF-UHFFFAOYSA-N 1 0 369.440 3.180 40 0 FGABRO COc1cc2c(cc1OC)[C@@H]([C@@H]1CCOC1)[NH2+][C@@H](c1ccc(C)cn1)C2 ZINC000019216054 220241696 /nfs/dbraw/zinc/24/16/96/220241696.db2.gz ATEWXAWKKULLCO-CFCCAZDESA-N 1 0 354.450 3.372 40 0 FGABRO Clc1ccc(CN2CCc3nc([C@H]4CC[NH2+]C4)ncc3C2)cc1Cl ZINC000019292972 220245629 /nfs/dbraw/zinc/24/56/29/220245629.db2.gz SNWGECACNIXILE-ZDUSSCGKSA-N 1 0 363.292 3.419 40 0 FGABRO COc1cc2c(cc1C[NH+]1CCC(O)(Cn3ccnc3C)CC1)CCCC2 ZINC000019287964 220245846 /nfs/dbraw/zinc/24/58/46/220245846.db2.gz IUGRFACMMXODHF-UHFFFAOYSA-N 1 0 369.509 3.106 40 0 FGABRO O=C(COc1ccc(F)cc1)N1CCC[C@H](c2cc3c[nH+]ccc3[nH]2)C1 ZINC000019335715 220251696 /nfs/dbraw/zinc/25/16/96/220251696.db2.gz UWZKAFLFVDFFGK-AWEZNQCLSA-N 1 0 353.397 3.487 40 0 FGABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3C(N)=O)cc2)CC1 ZINC000020044723 220309601 /nfs/dbraw/zinc/30/96/01/220309601.db2.gz XASIKVILAWQDPD-UHFFFAOYSA-N 1 0 351.450 3.270 40 0 FGABRO CCOc1cc(CNCC[NH+](CC)CC)cc(Br)c1OC ZINC000022076090 220377382 /nfs/dbraw/zinc/37/73/82/220377382.db2.gz IYIHXGMASITNMG-UHFFFAOYSA-N 1 0 359.308 3.288 40 0 FGABRO CCCn1ncc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2Cc2ccccc2)c1C ZINC000043568687 220948041 /nfs/dbraw/zinc/94/80/41/220948041.db2.gz GNRKDDUBLFBBEB-FCHUYYIVSA-N 1 0 352.526 3.493 40 0 FGABRO CC(C)C[C@@H]1[NH2+][C@H](C(=O)NCc2ccccn2)Cc2c[nH]c3cccc1c23 ZINC000049171415 221020906 /nfs/dbraw/zinc/02/09/06/221020906.db2.gz NKVLRNRDNLVPKV-PMACEKPBSA-N 1 0 362.477 3.481 40 0 biogenic,in-vitro FGABRO c1ccc2c(c1)C[N@@H+](Cc1cccnc1)CC21CCN(c2cnccn2)CC1 ZINC000096079547 132218616 /nfs/dbraw/zinc/21/86/16/132218616.db2.gz ILDXDEDYOXSVQP-UHFFFAOYSA-N 1 0 371.488 3.426 40 0 FGABRO COc1ccc(C[NH+]2CCC3(CCN(c4ncccn4)CC3)CC2)cc1 ZINC000096158455 132220991 /nfs/dbraw/zinc/22/09/91/132220991.db2.gz GFYWRYQTMGDCAC-UHFFFAOYSA-N 1 0 352.482 3.368 40 0 FGABRO CC1(C)CN(c2cc(NCCCO)[nH+]c(C3CC3)n2)Cc2ccccc21 ZINC000329068002 132373199 /nfs/dbraw/zinc/37/31/99/132373199.db2.gz YLWNBEBOPNGNGX-UHFFFAOYSA-N 1 0 352.482 3.446 40 0 FGABRO Cn1ccc(C(=O)N[C@H]2CCC23CC[NH+](Cc2ccc(F)cc2)CC3)c1 ZINC000096051699 222002764 /nfs/dbraw/zinc/00/27/64/222002764.db2.gz CJUOXRNNGGGPMX-IBGZPJMESA-N 1 0 355.457 3.339 40 0 FGABRO Cc1ccc(C[N@@H+]2C[C@@H](C(=O)Nc3cccnc3)C[C@H]3OCC[C@H]32)s1 ZINC000096057736 222005390 /nfs/dbraw/zinc/00/53/90/222005390.db2.gz RDCRBCFHXUIXOJ-BMGDILEWSA-N 1 0 357.479 3.070 40 0 FGABRO COc1ccc(C[N@@H+]2CC[C@]3(CC[C@H](C(=O)N4CCCC4)O3)[C@@H](C)C2)cc1 ZINC000096061318 222006587 /nfs/dbraw/zinc/00/65/87/222006587.db2.gz CTAAXVOODBLYKY-UCNVEGJOSA-N 1 0 372.509 3.077 40 0 FGABRO Cc1nnc([C@@H]2C[C@H]3OCC[C@H]3[N@H+](Cc3ccc4ccccc4n3)C2)o1 ZINC000096064976 222011133 /nfs/dbraw/zinc/01/11/33/222011133.db2.gz WPAKTELXEIIQTG-ATZDWAIDSA-N 1 0 350.422 3.073 40 0 FGABRO c1csc(C[N@H+]2CCOC[C@]3(C[C@@H](CNc4ccccc4)CO3)C2)c1 ZINC000096078412 222013333 /nfs/dbraw/zinc/01/33/33/222013333.db2.gz HVBNDLXQJSLXKK-PXNSSMCTSA-N 1 0 358.507 3.468 40 0 FGABRO CCS(=O)(=O)N1CCC2(CC[C@@H]([NH+]3CCCC3)c3ccccc32)CC1 ZINC000096079653 222015070 /nfs/dbraw/zinc/01/50/70/222015070.db2.gz FJWSDEPMIFJJEK-LJQANCHMSA-N 1 0 362.539 3.301 40 0 FGABRO COC[C@@H]1CC2(CN1c1ncccn1)CC[NH+](Cc1ccsc1)CC2 ZINC000096240381 222095498 /nfs/dbraw/zinc/09/54/98/222095498.db2.gz FTUUSGFZJVHJSL-KRWDZBQOSA-N 1 0 358.511 3.046 40 0 FGABRO COCC(=O)N[C@H]1CC2(CC[NH+](Cc3ccco3)CC2)c2ccccc21 ZINC000096241485 222097357 /nfs/dbraw/zinc/09/73/57/222097357.db2.gz OKLYXRWCZUYMHJ-IBGZPJMESA-N 1 0 354.450 3.021 40 0 FGABRO Cn1cc(C[NH+]2CCC3(CCC(CC(=O)N4CCCC4)CC3)CC2)cn1 ZINC000096159366 222058958 /nfs/dbraw/zinc/05/89/58/222058958.db2.gz VDFXKASTDKLYJT-UHFFFAOYSA-N 1 0 358.530 3.205 40 0 FGABRO O=C(Cc1cccs1)N1CC[C@@]2(C1)CCC[N@H+](CC1CCOCC1)C2 ZINC000096215435 222080066 /nfs/dbraw/zinc/08/00/66/222080066.db2.gz XNLPADIMVDBNEJ-FQEVSTJZSA-N 1 0 362.539 3.032 40 0 FGABRO c1ccc(C[N@@H+]2CC[C@@]3(C2)COCc2cnc(-c4cccnc4)nc23)cc1 ZINC000101150356 222263897 /nfs/dbraw/zinc/26/38/97/222263897.db2.gz SVLVBPZYBXWCGJ-JOCHJYFZSA-N 1 0 358.445 3.213 40 0 FGABRO CCc1ccccc1N1C(=O)C[C@H]([NH2+]CCc2c[nH]c3ccccc23)C1=O ZINC000025224563 263388707 /nfs/dbraw/zinc/38/87/07/263388707.db2.gz SSCDIJLWHFYWPE-IBGZPJMESA-N 1 0 361.445 3.195 40 0 FGABRO CCOC(=O)C1CC[NH+](C[C@H](O)COc2ccccc2[C@@H](C)CC)CC1 ZINC000002694460 493814975 /nfs/dbraw/zinc/81/49/75/493814975.db2.gz HMGVYESLOZTFDG-WMZOPIPTSA-N 1 0 363.498 3.215 40 0 FGABRO C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1c(F)cc(Br)cc1F ZINC000006007989 493948568 /nfs/dbraw/zinc/94/85/68/493948568.db2.gz JUCCUWNVDDWOLY-CMPLNLGQSA-N 1 0 364.230 3.341 40 0 FGABRO COc1cc2c(cc1OC)[C@H](c1cc3cccc(C)c3[nH]c1=O)[NH2+]CC2 ZINC000035316174 494075578 /nfs/dbraw/zinc/07/55/78/494075578.db2.gz WRLOGBHRTKIQCS-HXUWFJFHSA-N 1 0 350.418 3.089 40 0 FGABRO COc1ccccc1[C@@]1(O)CCC[N@H+](C[C@H](O)c2ccc(C)c(C)c2)C1 ZINC000036741284 494097269 /nfs/dbraw/zinc/09/72/69/494097269.db2.gz JTCGSYDFKVFFNL-RBBKRZOGSA-N 1 0 355.478 3.329 40 0 FGABRO COc1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000038848884 494118780 /nfs/dbraw/zinc/11/87/80/494118780.db2.gz ATRAEAQJQRXOBN-SFHVURJKSA-N 1 0 356.441 3.363 40 0 FGABRO COCCOc1cccc(C[N@H+]2C[C@@H]3C(c4ccc(C)cc4)=NO[C@@H]3C2)c1 ZINC000072343296 494154539 /nfs/dbraw/zinc/15/45/39/494154539.db2.gz XATJFCRVNCOWKF-LEWJYISDSA-N 1 0 366.461 3.255 40 0 FGABRO CN(C)C(=O)C[N@@H+]1CCC[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000072349526 494155901 /nfs/dbraw/zinc/15/59/01/494155901.db2.gz LEZLGUGRCZYHQJ-QGZVFWFLSA-N 1 0 355.457 3.079 40 0 FGABRO CN(C)C(=O)C[NH+]1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1 ZINC000072349527 494156113 /nfs/dbraw/zinc/15/61/13/494156113.db2.gz LSEOCFRZYXOAEJ-UHFFFAOYSA-N 1 0 355.457 3.079 40 0 FGABRO O=c1cc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)nc(-c2ccncc2)[nH]1 ZINC000072392882 494161946 /nfs/dbraw/zinc/16/19/46/494161946.db2.gz HCGCSMCADAWSHO-KRWDZBQOSA-N 1 0 364.424 3.351 40 0 FGABRO COc1ccc(C(=O)N2C[C@H]3CCC[N@H+](Cc4cccc(C)n4)[C@H]3C2)cc1 ZINC000012144169 494208423 /nfs/dbraw/zinc/20/84/23/494208423.db2.gz OOOYMRKHPZABQB-NQIIRXRSSA-N 1 0 365.477 3.135 40 0 FGABRO CC[N@@H+]1CCC[C@@H]1Cn1cnc2c(-c3ccc(OC)cc3)nsc2c1=O ZINC000012185475 494211517 /nfs/dbraw/zinc/21/15/17/494211517.db2.gz BLWFFDDQAGOAAH-CQSZACIVSA-N 1 0 370.478 3.013 40 0 FGABRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000012188389 494212415 /nfs/dbraw/zinc/21/24/15/494212415.db2.gz XMQJTKGHYZKCSB-HXUWFJFHSA-N 1 0 374.431 3.126 40 0 FGABRO COc1ccc([C@@H]2[C@@H]3CCC[C@H]3[C@H]2[NH2+]Cc2cnc(N(C)C)nc2)cc1 ZINC000012235180 494215836 /nfs/dbraw/zinc/21/58/36/494215836.db2.gz XGSSGNKOZAQNNX-UAFMIMERSA-N 1 0 352.482 3.223 40 0 FGABRO COc1ccc(OCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000073024961 494307785 /nfs/dbraw/zinc/30/77/85/494307785.db2.gz ZABRKIOGXRTEEW-UHFFFAOYSA-N 1 0 354.450 3.100 40 0 FGABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCN(C)c3ccccc3)CC2)cc1 ZINC000044916792 494388185 /nfs/dbraw/zinc/38/81/85/494388185.db2.gz OVCPUADGWHDYPZ-UHFFFAOYSA-N 1 0 365.521 3.460 40 0 FGABRO Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H](C(=O)N3CCCCCC3)C2)c(C)c1 ZINC000019132404 494437187 /nfs/dbraw/zinc/43/71/87/494437187.db2.gz XOZNROPNZSVZIA-TZIWHRDSSA-N 1 0 358.526 3.451 40 0 FGABRO C[C@@H]1CCCN(c2ncc(CN3CCC([N@@H+]4CCC[C@H](C)C4)CC3)cn2)C1 ZINC000019496654 494445779 /nfs/dbraw/zinc/44/57/79/494445779.db2.gz BHMOFUVINGKZKI-RBUKOAKNSA-N 1 0 371.573 3.409 40 0 FGABRO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4ccc(F)cc4)[C@@H]3C2)cc1O ZINC000019559696 494450111 /nfs/dbraw/zinc/45/01/11/494450111.db2.gz DRWDJBPALHWASJ-RRMPHLOHSA-N 1 0 357.425 3.270 40 0 FGABRO Cc1ncsc1-c1nc(N2CC[NH+](C)CC2)ncc1-c1ccc(F)cc1 ZINC000019562368 494450638 /nfs/dbraw/zinc/45/06/38/494450638.db2.gz SWZNQRAVNCUFKS-UHFFFAOYSA-N 1 0 369.469 3.466 40 0 FGABRO OC1(c2cccc(C(F)(F)F)c2)CCN(CC[NH+]2CCCCC2)CC1 ZINC000022920512 494541563 /nfs/dbraw/zinc/54/15/63/494541563.db2.gz NURIGIQEKFCHFE-UHFFFAOYSA-N 1 0 356.432 3.475 40 0 FGABRO Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 ZINC000108527362 494729985 /nfs/dbraw/zinc/72/99/85/494729985.db2.gz YTWILELEDPCEBH-SFTDATJTSA-N 1 0 355.457 3.004 40 0 FGABRO c1ccc(C[NH+]2CCC(c3nc4ccc(N5CCCC5)cn4n3)CC2)nc1 ZINC000096038274 494997544 /nfs/dbraw/zinc/99/75/44/494997544.db2.gz NHLZBSSGFGHHCB-UHFFFAOYSA-N 1 0 362.481 3.104 40 0 FGABRO Cc1nnc([C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3cn(C)c4ccccc34)O2)o1 ZINC000096040917 494997977 /nfs/dbraw/zinc/99/79/77/494997977.db2.gz ZBJRQPADOUOIHK-QRVBRYPASA-N 1 0 352.438 3.364 40 0 FGABRO COCC[N@@H+]1C[C@H]2CN(Cc3cccc(C)n3)CC[C@@]2(c2ccccc2)C1 ZINC000247870872 496923783 /nfs/dbraw/zinc/92/37/83/496923783.db2.gz KTQCJPQBBIUQQF-GGAORHGYSA-N 1 0 365.521 3.112 40 0 FGABRO CSc1nnc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)s1 ZINC000222606446 497025616 /nfs/dbraw/zinc/02/56/16/497025616.db2.gz HOPDYDXDZLRHPN-GFCCVEGCSA-N 1 0 366.487 3.250 40 0 FGABRO CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c1C ZINC000223263560 497034763 /nfs/dbraw/zinc/03/47/63/497034763.db2.gz QMHSLANSMXULGU-RBUKOAKNSA-N 1 0 371.554 3.054 40 0 FGABRO COC(=O)c1ccc(C)c(NC(=S)NCCC[NH+]2CCCCCC2)c1 ZINC000225399769 497062136 /nfs/dbraw/zinc/06/21/36/497062136.db2.gz XYCPPHQPCMPLPU-UHFFFAOYSA-N 1 0 363.527 3.334 40 0 FGABRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000193130422 497309611 /nfs/dbraw/zinc/30/96/11/497309611.db2.gz UVPSKLPNUSQDCM-CRAIPNDOSA-N 1 0 352.544 3.429 40 0 FGABRO CC1(C)[C@H](OC[C@H](O)C[NH+]2CCN(c3ccccc3)CC2)[C@]2(C)CC[C@H]1C2 ZINC000253478631 497334807 /nfs/dbraw/zinc/33/48/07/497334807.db2.gz MEQDLZDIBGJZGI-DEXHYYOUSA-N 1 0 372.553 3.401 40 0 FGABRO Cc1ccc(C(=O)N2CC[C@@]3(Cc4ncc(-c5cccnc5)n4C3)C2)s1 ZINC000306123142 498736211 /nfs/dbraw/zinc/73/62/11/498736211.db2.gz AFNSUOGCYJYMPS-HXUWFJFHSA-N 1 0 364.474 3.404 40 0 FGABRO Cc1cc(S(=O)(=O)N2c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@H]32)c(C)o1 ZINC000520803433 504586294 /nfs/dbraw/zinc/58/62/94/504586294.db2.gz AWXBJESYWMHIMD-FUHWJXTLSA-N 1 0 360.479 3.201 40 0 FGABRO O=C1CC[C@]2(CCC[N@H+](CCc3ccccc3)CC2)N1C[C@H]1CCCO1 ZINC000585099812 507565832 /nfs/dbraw/zinc/56/58/32/507565832.db2.gz CGEUGGZNMXRPFY-IRLDBZIGSA-N 1 0 356.510 3.255 40 0 FGABRO O=C(c1cnc2ccccn12)N1CC[C@@H]2[C@@H](C[N@@H+]2CC2CCCCC2)C1 ZINC000585107973 507574584 /nfs/dbraw/zinc/57/45/84/507574584.db2.gz OLDYLVINEUJGNT-QZTJIDSGSA-N 1 0 352.482 3.061 40 0 FGABRO FC(F)(F)Cc1cnc(Nc2cc(C[C@@H]3C[NH2+]CCOC3)ccn2)s1 ZINC000585262808 507581541 /nfs/dbraw/zinc/58/15/41/507581541.db2.gz IAACECYEKHXMLR-GFCCVEGCSA-N 1 0 372.416 3.165 40 0 FGABRO Cc1ccc(OC[C@H](O)C[NH2+]Cc2cc3cc(C)ccc3[nH]c2=O)c(C)c1 ZINC000585284493 507583989 /nfs/dbraw/zinc/58/39/89/507583989.db2.gz LIJHDXKPPIURTO-LJQANCHMSA-N 1 0 366.461 3.395 40 0 FGABRO Cc1cc(Nc2ncccn2)nc([C@H]2CCCC[N@@H+]2CC2CCOCC2)n1 ZINC000257287838 534004858 /nfs/dbraw/zinc/00/48/58/534004858.db2.gz PRRWOQHFBKWNCW-QGZVFWFLSA-N 1 0 368.485 3.272 40 0 FGABRO Fc1cccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4ccncc4)C2)OC3)c1 ZINC000306140315 534513924 /nfs/dbraw/zinc/51/39/24/534513924.db2.gz UPONHGFWEDATPR-NRFANRHFSA-N 1 0 364.424 3.259 40 0 FGABRO CC(C)[N@@H+]1CCC[C@@H](c2cccc(N3CC4(CCOCC4)OC3=O)n2)C1 ZINC000257277190 529019591 /nfs/dbraw/zinc/01/95/91/529019591.db2.gz NWULEIHBSHPWDL-MRXNPFEDSA-N 1 0 359.470 3.175 40 0 FGABRO