smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1C[C@H](C)C[N@H+](CCCc2nnc(CCC[NH+]3[C@@H](C)CCC[C@@H]3C)n2N)C1 ZINC000225149654 231033027 /nfs/dbraw/zinc/03/30/27/231033027.db2.gz QROVSTVLZBHJBS-YRPNKDGESA-N 2 1 390.620 3.098 40 0 GGABMP Cc1[nH+]ccn1-c1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H](C)O)cc1 ZINC000012116725 204372572 /nfs/dbraw/zinc/37/25/72/204372572.db2.gz WLOCZLTUWMNWSP-MRXNPFEDSA-N 2 1 379.460 3.292 40 0 GGABMP Cc1[nH+]ccn1-c1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H](C)O)cc1 ZINC000012116725 204372576 /nfs/dbraw/zinc/37/25/76/204372576.db2.gz WLOCZLTUWMNWSP-MRXNPFEDSA-N 2 1 379.460 3.292 40 0 GGABMP COc1ccc(CN2C[C@H](C[NH+]3CCOCC3)c3ccccc32)cc1C[NH+](C)C ZINC000012148206 204376339 /nfs/dbraw/zinc/37/63/39/204376339.db2.gz HDHJVHUEFMCDIA-NRFANRHFSA-N 2 1 395.547 3.193 40 0 GGABMP Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(C[NH2+]C3CC[NH+](C(C)C)CC3)cc12 ZINC000012291648 204389076 /nfs/dbraw/zinc/38/90/76/204389076.db2.gz FXQRPIGQROKGMF-UHFFFAOYSA-N 2 1 397.498 3.124 40 0 GGABMP c1cc(C[N@@H+]2CCc3nnc([C@@H]4CCCC[NH2+]4)n3CC2)cc(OC2CCCC2)c1 ZINC000072372832 205337532 /nfs/dbraw/zinc/33/75/32/205337532.db2.gz GCMGBTFLKVSEPA-NRFANRHFSA-N 2 1 395.551 3.472 40 0 GGABMP CC(C)[N@@H+]1CCOC[C@@]2(CC[C@H](C[NH2+]Cc3cc(-c4ccccc4)on3)O2)C1 ZINC000248167646 206134613 /nfs/dbraw/zinc/13/46/13/206134613.db2.gz PGSNLVIQCOQFCR-IFMALSPDSA-N 2 1 385.508 3.090 40 0 GGABMP CC(C)[N@H+]1CCOC[C@@]2(CC[C@H](C[NH2+]Cc3cc(-c4ccccc4)on3)O2)C1 ZINC000248167646 206134616 /nfs/dbraw/zinc/13/46/16/206134616.db2.gz PGSNLVIQCOQFCR-IFMALSPDSA-N 2 1 385.508 3.090 40 0 GGABMP c1ccc([C@@]23C[NH+](Cc4cccnc4)C[C@@H]2C[N@H+](C[C@H]2CCOC2)CC3)cc1 ZINC000247913153 206136671 /nfs/dbraw/zinc/13/66/71/206136671.db2.gz LYRWXWTWHFHLNQ-YFNKSVMNSA-N 2 1 377.532 3.194 40 0 GGABMP c1ccc([C@@]23C[NH+](Cc4cccnc4)C[C@@H]2C[N@@H+](C[C@H]2CCOC2)CC3)cc1 ZINC000247913153 206136676 /nfs/dbraw/zinc/13/66/76/206136676.db2.gz LYRWXWTWHFHLNQ-YFNKSVMNSA-N 2 1 377.532 3.194 40 0 GGABMP c1ccc([C@@]23C[N@H+](Cc4cccnc4)C[C@@H]2C[NH+](C[C@H]2CCOC2)CC3)cc1 ZINC000247913153 206136681 /nfs/dbraw/zinc/13/66/81/206136681.db2.gz LYRWXWTWHFHLNQ-YFNKSVMNSA-N 2 1 377.532 3.194 40 0 GGABMP c1ccc([C@@]23C[N@@H+](Cc4cccnc4)C[C@@H]2C[NH+](C[C@H]2CCOC2)CC3)cc1 ZINC000247913153 206136687 /nfs/dbraw/zinc/13/66/87/206136687.db2.gz LYRWXWTWHFHLNQ-YFNKSVMNSA-N 2 1 377.532 3.194 40 0 GGABMP Cc1cccc(C[NH+]2CCC3(CC2)C[N@H+](C)Cc2nnc(-c4ccco4)n23)c1 ZINC000306139789 206204743 /nfs/dbraw/zinc/20/47/43/206204743.db2.gz UALOVYBADMEUAN-UHFFFAOYSA-N 2 1 377.492 3.283 40 0 GGABMP Cc1cccc(C[NH+]2CCC3(CC2)C[N@@H+](C)Cc2nnc(-c4ccco4)n23)c1 ZINC000306139789 206204745 /nfs/dbraw/zinc/20/47/45/206204745.db2.gz UALOVYBADMEUAN-UHFFFAOYSA-N 2 1 377.492 3.283 40 0 GGABMP Cc1ccc(C[NH+]2CCC3(CC2)C[N@H+](C)Cc2nnc(-c4ccco4)n23)cc1 ZINC000306140254 206206056 /nfs/dbraw/zinc/20/60/56/206206056.db2.gz UODHCKZZYJTKLW-UHFFFAOYSA-N 2 1 377.492 3.283 40 0 GGABMP Cc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](C)Cc2nnc(-c4ccco4)n23)cc1 ZINC000306140254 206206061 /nfs/dbraw/zinc/20/60/61/206206061.db2.gz UODHCKZZYJTKLW-UHFFFAOYSA-N 2 1 377.492 3.283 40 0 GGABMP CCC[NH+]1CCC([N@@H+]2C[C@H]3CN(C(=O)Cc4ccc(Cl)cc4)C[C@H]3C2)CC1 ZINC000096245462 570224115 /nfs/dbraw/zinc/22/41/15/570224115.db2.gz ZIMQSGLFKXCVKQ-KDURUIRLSA-N 2 1 389.971 3.147 40 0 GGABMP CC(=O)N[C@]12C[N@H+](Cc3cc4ccccc4o3)[C@H](c3ccccc3)[C@H]1C[NH2+]CC2 ZINC000585261332 570228079 /nfs/dbraw/zinc/22/80/79/570228079.db2.gz QTKUFBBHONVIJK-GMKZXUHWSA-N 2 1 389.499 3.474 40 0 GGABMP CC(=O)N[C@]12C[N@@H+](Cc3cc4ccccc4o3)[C@H](c3ccccc3)[C@H]1C[NH2+]CC2 ZINC000585261332 570228083 /nfs/dbraw/zinc/22/80/83/570228083.db2.gz QTKUFBBHONVIJK-GMKZXUHWSA-N 2 1 389.499 3.474 40 0 GGABMP O=C(C[N@H+]1CC=C(c2c[nH]c3ccccc23)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000089866572 570917850 /nfs/dbraw/zinc/91/78/50/570917850.db2.gz LNUXYOHMUKXESH-UHFFFAOYSA-N 2 1 378.520 3.000 40 0 GGABMP O=C(C[N@@H+]1CC=C(c2c[nH]c3ccccc23)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000089866572 570917851 /nfs/dbraw/zinc/91/78/51/570917851.db2.gz LNUXYOHMUKXESH-UHFFFAOYSA-N 2 1 378.520 3.000 40 0 GGABMP COC[C@@H]1C[N@@H+](CC2CCOCC2)CC12CC[NH+](Cc1ccsc1)CC2 ZINC000585102692 570931126 /nfs/dbraw/zinc/93/11/26/570931126.db2.gz BAWFRDZVYGLIMT-FQEVSTJZSA-N 2 1 378.582 3.335 40 0 GGABMP CC(C)Oc1ccc(C[N@H+]2CC[C@H](c3nn(CC[NH3+])c4ncccc34)C2)cc1 ZINC000019450568 570985059 /nfs/dbraw/zinc/98/50/59/570985059.db2.gz PMWXGDCCIXGJOX-SFHVURJKSA-N 2 1 379.508 3.167 40 0 GGABMP CCc1[nH+]ccn1CC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CC[N@@H+]2C ZINC000019523509 570995857 /nfs/dbraw/zinc/99/58/57/570995857.db2.gz RTRVUMGMXUWXIZ-TXTKFYIRSA-N 2 1 380.536 3.315 40 0 GGABMP CCc1[nH+]ccn1CC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CC[N@H+]2C ZINC000019523509 570995860 /nfs/dbraw/zinc/99/58/60/570995860.db2.gz RTRVUMGMXUWXIZ-TXTKFYIRSA-N 2 1 380.536 3.315 40 0 GGABMP CCc1[nH+]ccn1CC(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCC[N@@H+]2C ZINC000019523510 570995958 /nfs/dbraw/zinc/99/59/58/570995958.db2.gz TXFNQBVLBRDXOH-TXTKFYIRSA-N 2 1 380.536 3.315 40 0 GGABMP CCc1[nH+]ccn1CC(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCC[N@H+]2C ZINC000019523510 570995961 /nfs/dbraw/zinc/99/59/61/570995961.db2.gz TXFNQBVLBRDXOH-TXTKFYIRSA-N 2 1 380.536 3.315 40 0 GGABMP C[N@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@@H]1C1CC[NH+](Cc2ccccn2)CC1 ZINC000019587717 571015811 /nfs/dbraw/zinc/01/58/11/571015811.db2.gz LYNQTSDWKQEHQI-XMSQKQJNSA-N 2 1 396.510 3.392 40 0 GGABMP Cc1onc(C(=O)NC2(C[NH+]3CCC(C)CC3)CCCCC2)c1C[NH+](C)C ZINC000019663464 571026499 /nfs/dbraw/zinc/02/64/99/571026499.db2.gz DOJYRGATPHKDEP-UHFFFAOYSA-N 2 1 376.545 3.209 40 0 GGABMP Cc1cc(N2CCN(Cc3cnc(C(C)C)nc3)CC2)cc([C@@H]2CCC[NH2+]2)[nH+]1 ZINC000019697956 571030494 /nfs/dbraw/zinc/03/04/94/571030494.db2.gz DJKUXBOUQUDPOY-FQEVSTJZSA-N 2 1 380.540 3.050 40 0 GGABMP CNc1nc([C@H]2CCC[NH2+]2)nc2c1CC[N@H+](Cc1c(C)cc(OC)c(C)c1C)C2 ZINC000019707470 571032748 /nfs/dbraw/zinc/03/27/48/571032748.db2.gz BRDKHOQGRRLFTA-LJQANCHMSA-N 2 1 395.551 3.435 40 0 GGABMP CNc1nc([C@H]2CCC[NH2+]2)nc2c1CC[N@@H+](Cc1c(C)cc(OC)c(C)c1C)C2 ZINC000019707470 571032751 /nfs/dbraw/zinc/03/27/51/571032751.db2.gz BRDKHOQGRRLFTA-LJQANCHMSA-N 2 1 395.551 3.435 40 0 GGABMP c1cc(OC2CCCC2)ccc1C[N@H+]1CCC[C@H](c2nnc3n2CC[NH2+]CC3)C1 ZINC000019709352 571034192 /nfs/dbraw/zinc/03/41/92/571034192.db2.gz VAMBIBHRKMYJAX-IBGZPJMESA-N 2 1 395.551 3.125 40 0 GGABMP CC[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CC[NH+](Cc1ccccn1)CC3 ZINC000096036319 571096001 /nfs/dbraw/zinc/09/60/01/571096001.db2.gz ZIIIQZBSDXKXJN-XUZZJYLKSA-N 2 1 396.579 3.018 40 0 GGABMP CC[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CC[NH+](Cc1cccnc1)CC3 ZINC000096036320 571096096 /nfs/dbraw/zinc/09/60/96/571096096.db2.gz ZMQCKDHVCUOYCY-XUZZJYLKSA-N 2 1 396.579 3.018 40 0 GGABMP COc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4cccnc4)CO3)CC2)cc1 ZINC000096047986 571097363 /nfs/dbraw/zinc/09/73/63/571097363.db2.gz SOXVLUMUHDHLFM-OAQYLSRUSA-N 2 1 381.520 3.346 40 0 GGABMP Cc1ccc(OCCC[NH+]2CCN(c3cc(C)nc([C@H]4CC[NH2+]C4)c3)CC2)cc1 ZINC000019739035 1399337409 /nfs/dbraw/zinc/33/74/09/1399337409.db2.gz ZDXQMKSSTPCLLB-NRFANRHFSA-N 2 1 394.563 3.366 40 0 GGABMP Cc1cc(N2CC[NH+](Cc3cn(C)c4ccccc34)CC2)cc([C@@H]2CC[NH2+]C2)n1 ZINC000019739070 1399338101 /nfs/dbraw/zinc/33/81/01/1399338101.db2.gz QBASPNPMIAZINT-LJQANCHMSA-N 2 1 389.547 3.281 40 0 GGABMP C[N@H+]1C[C@@H](C(=O)Nc2cccc(F)c2)C[C@H]1C1CC[NH+](Cc2cccnc2)CC1 ZINC000248145655 1433774240 /nfs/dbraw/zinc/77/42/40/1433774240.db2.gz RVUVEZYQAZZSAE-UGKGYDQZSA-N 2 1 396.510 3.392 40 0 GGABMP CC(C)(C)c1n[nH]cc1C[NH+]1CCC(O)(C[N@H+]2CCc3ccccc3C2)CC1 ZINC000019083479 207102595 /nfs/dbraw/zinc/10/25/95/207102595.db2.gz LDQCEXFDVLPASU-UHFFFAOYSA-N 2 1 382.552 3.092 40 0 GGABMP Cc1[nH+]ccn1C[C@H](C)C(=O)N(C)C1CCC2(CC1)C[NH2+]Cc1ccccc1O2 ZINC000019287652 207113137 /nfs/dbraw/zinc/11/31/37/207113137.db2.gz BOXMNWVCPNMZON-JVPSVYLMSA-N 2 1 396.535 3.150 40 0 GGABMP CCOc1ccc(C[N@H+]2CC[C@@H](c3nn(CC[NH+](C)C)c4ncccc34)C2)cc1 ZINC000019533197 207130869 /nfs/dbraw/zinc/13/08/69/207130869.db2.gz FNPYPKGBYZOTPH-LJQANCHMSA-N 2 1 393.535 3.381 40 0 GGABMP C[C@@H]1CCCC[N@H+]1CC(=O)N(C)C1CCC2(CC1)C[NH2+]Cc1ccccc1O2 ZINC000019496327 207125959 /nfs/dbraw/zinc/12/59/59/207125959.db2.gz JKBZESPCPDSKLC-TWEIKEKHSA-N 2 1 385.552 3.183 40 0 GGABMP COc1cc(C)c(C[N@H+]2CCC[C@@H](c3ncc4c(n3)CC[NH+](C)C4)C2)cc1C ZINC000019567327 207135798 /nfs/dbraw/zinc/13/57/98/207135798.db2.gz DOWVNUIATGWISB-GOSISDBHSA-N 2 1 380.536 3.470 40 0 GGABMP COc1cc(C)c(C[NH+]2CCC[C@@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)cc1C ZINC000019567327 207135803 /nfs/dbraw/zinc/13/58/03/207135803.db2.gz DOWVNUIATGWISB-GOSISDBHSA-N 2 1 380.536 3.470 40 0 GGABMP COc1cc(C)c(C[NH+]2CCC[C@@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)cc1C ZINC000019567327 207135807 /nfs/dbraw/zinc/13/58/07/207135807.db2.gz DOWVNUIATGWISB-GOSISDBHSA-N 2 1 380.536 3.470 40 0 GGABMP COc1cc(C)c(C[NH+]2CCC(c3ncc4c(n3)CC[N@H+](C)C4)CC2)cc1C ZINC000019567286 207136806 /nfs/dbraw/zinc/13/68/06/207136806.db2.gz NHJMFNRANHNOQC-UHFFFAOYSA-N 2 1 380.536 3.470 40 0 GGABMP Cc1cc(C)n(-c2cccc(C[NH+]3CCC(O)(Cn4cc[nH+]c4C)CC3)c2)n1 ZINC000019574837 207138086 /nfs/dbraw/zinc/13/80/86/207138086.db2.gz HDUSJYKTCXCOLV-UHFFFAOYSA-N 2 1 379.508 3.021 40 0 GGABMP C[N@H+]1C[C@H](C(=O)Nc2cccc(F)c2)C[C@@H]1C1CC[NH+](Cc2ccccn2)CC1 ZINC000019587725 207140532 /nfs/dbraw/zinc/14/05/32/207140532.db2.gz SOHGOSRBINNGGA-XMSQKQJNSA-N 2 1 396.510 3.392 40 0 GGABMP CNc1ncc(C[N@@H+]2Cc3ccccc3OC3(CCC([NH+](C)C)CC3)C2)cn1 ZINC000019592393 207144642 /nfs/dbraw/zinc/14/46/42/207144642.db2.gz DHPDUZJFNVGBHC-UHFFFAOYSA-N 2 1 381.524 3.156 40 0 GGABMP CNc1ncc(C[N@H+]2Cc3ccccc3OC3(CCC([NH+](C)C)CC3)C2)cn1 ZINC000019592393 207144646 /nfs/dbraw/zinc/14/46/46/207144646.db2.gz DHPDUZJFNVGBHC-UHFFFAOYSA-N 2 1 381.524 3.156 40 0 GGABMP Cc1[nH+]ccn1C[C@H]1CCCN(C(=O)CC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000019748300 207158375 /nfs/dbraw/zinc/15/83/75/207158375.db2.gz NEZVYXKXIJSOLZ-OAQYLSRUSA-N 2 1 395.551 3.127 40 0 GGABMP c1cc(C[N@@H+]2CCc3nnc([C@H]4CCCC[NH2+]4)n3CC2)cc(OC2CCCC2)c1 ZINC000072372833 208006817 /nfs/dbraw/zinc/00/68/17/208006817.db2.gz GCMGBTFLKVSEPA-OAQYLSRUSA-N 2 1 395.551 3.472 40 0 GGABMP Cn1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccncc2)Cc2ccccc23)cn1 ZINC000096242578 208294185 /nfs/dbraw/zinc/29/41/85/208294185.db2.gz JMIZZHZESHXVGR-UHFFFAOYSA-N 2 1 387.531 3.365 40 0 GGABMP c1ccc([C@@]23C[NH+](Cc4cccnc4)C[C@H]2C[N@H+](C[C@@H]2CCOC2)CC3)cc1 ZINC000096251777 208294646 /nfs/dbraw/zinc/29/46/46/208294646.db2.gz LYRWXWTWHFHLNQ-QPTUXGOLSA-N 2 1 377.532 3.194 40 0 GGABMP c1ccc([C@@]23C[NH+](Cc4cccnc4)C[C@H]2C[N@@H+](C[C@@H]2CCOC2)CC3)cc1 ZINC000096251777 208294652 /nfs/dbraw/zinc/29/46/52/208294652.db2.gz LYRWXWTWHFHLNQ-QPTUXGOLSA-N 2 1 377.532 3.194 40 0 GGABMP c1ccc([C@@]23C[N@H+](Cc4cccnc4)C[C@H]2C[NH+](C[C@@H]2CCOC2)CC3)cc1 ZINC000096251777 208294657 /nfs/dbraw/zinc/29/46/57/208294657.db2.gz LYRWXWTWHFHLNQ-QPTUXGOLSA-N 2 1 377.532 3.194 40 0 GGABMP c1ccc([C@@]23C[N@@H+](Cc4cccnc4)C[C@H]2C[NH+](C[C@@H]2CCOC2)CC3)cc1 ZINC000096251777 208294663 /nfs/dbraw/zinc/29/46/63/208294663.db2.gz LYRWXWTWHFHLNQ-QPTUXGOLSA-N 2 1 377.532 3.194 40 0 GGABMP COC[C@H]1C[N@H+](Cc2cccs2)CC12CC[NH+](Cc1cc(C)on1)CC2 ZINC000247918166 209028208 /nfs/dbraw/zinc/02/82/08/209028208.db2.gz NCAXMNKRNMFUQY-QGZVFWFLSA-N 2 1 375.538 3.405 40 0 GGABMP COC[C@H]1C[N@@H+](Cc2cccs2)CC12CC[NH+](Cc1cc(C)on1)CC2 ZINC000247918166 209028211 /nfs/dbraw/zinc/02/82/11/209028211.db2.gz NCAXMNKRNMFUQY-QGZVFWFLSA-N 2 1 375.538 3.405 40 0 GGABMP COC[C@@H]1C[N@H+](Cc2cccs2)CC12CC[NH+](Cc1cc(C)on1)CC2 ZINC000247918161 209029409 /nfs/dbraw/zinc/02/94/09/209029409.db2.gz NCAXMNKRNMFUQY-KRWDZBQOSA-N 2 1 375.538 3.405 40 0 GGABMP COC[C@@H]1C[N@@H+](Cc2cccs2)CC12CC[NH+](Cc1cc(C)on1)CC2 ZINC000247918161 209029414 /nfs/dbraw/zinc/02/94/14/209029414.db2.gz NCAXMNKRNMFUQY-KRWDZBQOSA-N 2 1 375.538 3.405 40 0 GGABMP Cc1[nH+]ccn1CCCNC(=O)c1ncccc1-c1cccc(C[NH+](C)C)c1 ZINC000257285049 209069428 /nfs/dbraw/zinc/06/94/28/209069428.db2.gz PFKLVJOXRNVXPM-UHFFFAOYSA-N 2 1 377.492 3.135 40 0 GGABMP C[NH+](C)CCn1nc([C@@H]2CC[N@@H+](Cc3cc4ccccc4o3)C2)c2nccnc21 ZINC000072391698 222249265 /nfs/dbraw/zinc/24/92/65/222249265.db2.gz ASCHVYPEEHZFHS-QGZVFWFLSA-N 2 1 390.491 3.124 40 0 GGABMP C[NH+](C)CCn1nc([C@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)c2nccnc21 ZINC000072391689 222249811 /nfs/dbraw/zinc/24/98/11/222249811.db2.gz QBIKKHYCTMDTBE-INIZCTEOSA-N 2 1 384.915 3.031 40 0 GGABMP Cc1ccccc1[C@@H](OC[C@@H](O)C[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000023408944 570361398 /nfs/dbraw/zinc/36/13/98/570361398.db2.gz MPFAKPMSMAGBCG-UPVQGACJSA-N 2 1 382.548 3.488 40 0 GGABMP Cc1ccccc1[C@@H](OC[C@@H](O)C[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000023408944 570361401 /nfs/dbraw/zinc/36/14/01/570361401.db2.gz MPFAKPMSMAGBCG-UPVQGACJSA-N 2 1 382.548 3.488 40 0 GGABMP CC(C)NC(=O)Cn1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC3)C2)c2ccccc21 ZINC000036741517 570569839 /nfs/dbraw/zinc/56/98/39/570569839.db2.gz GDTGKYFODZEAQG-FQEVSTJZSA-N 2 1 396.579 3.474 40 0 GGABMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000038831617 570584537 /nfs/dbraw/zinc/58/45/37/570584537.db2.gz DZONPCCLBXACGN-UHFFFAOYSA-N 2 1 393.531 3.045 40 0 GGABMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000038831623 570584681 /nfs/dbraw/zinc/58/46/81/570584681.db2.gz QVWQJFPJCUWBQO-UHFFFAOYSA-N 2 1 393.531 3.045 40 0 GGABMP O=C([C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000038850768 570587520 /nfs/dbraw/zinc/58/75/20/570587520.db2.gz LYIQXVWCMHGJPY-JOCHJYFZSA-N 2 1 395.522 3.382 40 0 GGABMP O=C([C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000038850768 570587526 /nfs/dbraw/zinc/58/75/26/570587526.db2.gz LYIQXVWCMHGJPY-JOCHJYFZSA-N 2 1 395.522 3.382 40 0 GGABMP O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000038850719 570587853 /nfs/dbraw/zinc/58/78/53/570587853.db2.gz PNYPIZFLKAXIHK-QHCPKHFHSA-N 2 1 377.532 3.243 40 0 GGABMP O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000038850719 570587855 /nfs/dbraw/zinc/58/78/55/570587855.db2.gz PNYPIZFLKAXIHK-QHCPKHFHSA-N 2 1 377.532 3.243 40 0 GGABMP Cc1nc2c(c(N3CC[NH+]4CCCC[C@@H]4C3)n1)CC[N@H+](Cc1ccccc1)C2 ZINC000012338368 570645276 /nfs/dbraw/zinc/64/52/76/570645276.db2.gz WRGAWXOSVNTDKQ-HXUWFJFHSA-N 2 1 377.536 3.018 40 0 GGABMP Cc1nc2c(c(N3CC[NH+]4CCCC[C@@H]4C3)n1)CC[N@@H+](Cc1ccccc1)C2 ZINC000012338368 570645280 /nfs/dbraw/zinc/64/52/80/570645280.db2.gz WRGAWXOSVNTDKQ-HXUWFJFHSA-N 2 1 377.536 3.018 40 0 GGABMP Cc1nc2c(c(N3CC[N@@H+]4CCCC[C@@H]4C3)n1)CC[NH+](Cc1ccccc1)C2 ZINC000012338368 570645282 /nfs/dbraw/zinc/64/52/82/570645282.db2.gz WRGAWXOSVNTDKQ-HXUWFJFHSA-N 2 1 377.536 3.018 40 0 GGABMP Cc1nc2c(c(N3CC[N@H+]4CCCC[C@@H]4C3)n1)CC[NH+](Cc1ccccc1)C2 ZINC000012338368 570645287 /nfs/dbraw/zinc/64/52/87/570645287.db2.gz WRGAWXOSVNTDKQ-HXUWFJFHSA-N 2 1 377.536 3.018 40 0 GGABMP COC[C@H]1C[N@@H+](Cc2cccs2)CC12CC[NH+](CC1CCOCC1)CC2 ZINC000585102913 570931016 /nfs/dbraw/zinc/93/10/16/570931016.db2.gz ICRKNOSVZQZCEA-LJQANCHMSA-N 2 1 378.582 3.335 40 0 GGABMP COC[C@@H]1C[N@@H+](Cc2cccs2)CC12CC[NH+](CC1CCOCC1)CC2 ZINC000585102912 570931131 /nfs/dbraw/zinc/93/11/31/570931131.db2.gz ICRKNOSVZQZCEA-IBGZPJMESA-N 2 1 378.582 3.335 40 0 GGABMP CC(=O)N1CCN(c2cc(C)[nH+]c([C@H]3CC[N@@H+](Cc4ccccc4F)C3)c2)CC1 ZINC000019705385 1399335601 /nfs/dbraw/zinc/33/56/01/1399335601.db2.gz FPIXJEYOICAEQX-FQEVSTJZSA-N 2 1 396.510 3.187 40 0 GGABMP C[NH+](C)CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 ZINC000057801041 1407720648 /nfs/dbraw/zinc/72/06/48/1407720648.db2.gz JBWGICXZQLQUFU-UHFFFAOYSA-N 2 1 392.503 3.352 40 0 GGABMP CC[NH+]1CCC(n2nccc2NC(=O)C[NH+]2CCC(c3ccccc3)CC2)CC1 ZINC000019527053 210256246 /nfs/dbraw/zinc/25/62/46/210256246.db2.gz SSENMMDVSUJHBD-UHFFFAOYSA-N 2 1 395.551 3.358 40 0 GGABMP CC(C)Oc1ccc(C[N@H+]2CC[C@@H](c3nn(CC[NH3+])c4ncccc34)C2)cc1 ZINC000019450566 210249493 /nfs/dbraw/zinc/24/94/93/210249493.db2.gz PMWXGDCCIXGJOX-GOSISDBHSA-N 2 1 379.508 3.167 40 0 GGABMP CC(C)Oc1ccccc1C[N@H+]1CC[C@H](c2nn(CC[NH3+])c3ncccc23)C1 ZINC000019450962 210248614 /nfs/dbraw/zinc/24/86/14/210248614.db2.gz LVCJGUBDBSIPPG-SFHVURJKSA-N 2 1 379.508 3.167 40 0 GGABMP CC(C)Oc1ccccc1C[N@H+]1CC[C@@H](c2nn(CC[NH3+])c3ncccc23)C1 ZINC000019450960 210247819 /nfs/dbraw/zinc/24/78/19/210247819.db2.gz LVCJGUBDBSIPPG-GOSISDBHSA-N 2 1 379.508 3.167 40 0 GGABMP COc1ccc2c(c1)CN(CC(C)(C)C[NH+](C)C)C[C@@]1(CCC[N@@H+](C)CC1)O2 ZINC000019084989 210225860 /nfs/dbraw/zinc/22/58/60/210225860.db2.gz BKUJQPJOTLHQOT-QHCPKHFHSA-N 2 1 389.584 3.332 40 0 GGABMP Cc1ccsc1C[NH+]1CCN(C2=NO[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000306130939 212049071 /nfs/dbraw/zinc/04/90/71/212049071.db2.gz JSXAJCKQUBLNDB-UXHICEINSA-N 2 1 396.560 3.018 40 0 GGABMP Cc1ccsc1C[NH+]1CCN(C2=NO[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000306130939 212049075 /nfs/dbraw/zinc/04/90/75/212049075.db2.gz JSXAJCKQUBLNDB-UXHICEINSA-N 2 1 396.560 3.018 40 0 GGABMP C[NH+]1CCN(C(=O)C[C@H]2CC3(CC[NH+](CC4CC4)CC3)c3ccccc32)CC1 ZINC000096052962 211296545 /nfs/dbraw/zinc/29/65/45/211296545.db2.gz VVBXLLBVVPZJSM-FQEVSTJZSA-N 2 1 381.564 3.082 40 0 GGABMP C[NH+]1CCN(C(=O)C[C@@H]2CC3(CC[NH+](CC4CC4)CC3)c3ccccc32)CC1 ZINC000096052961 211295913 /nfs/dbraw/zinc/29/59/13/211295913.db2.gz VVBXLLBVVPZJSM-HXUWFJFHSA-N 2 1 381.564 3.082 40 0 GGABMP CC[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CC[NH+](Cc1ccncc1)CC3 ZINC000096036321 211294593 /nfs/dbraw/zinc/29/45/93/211294593.db2.gz ZXZAATWXWWFNEW-XUZZJYLKSA-N 2 1 396.579 3.018 40 0 GGABMP C[NH+](C)CCn1nc([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)c2nccnc21 ZINC000072391688 211110422 /nfs/dbraw/zinc/11/04/22/211110422.db2.gz QBIKKHYCTMDTBE-MRXNPFEDSA-N 2 1 384.915 3.031 40 0 GGABMP COc1cc(-c2noc(C[NH+]3CCC(C[NH+](C)C)CC3)n2)ccc1OC(F)F ZINC000040127631 210530065 /nfs/dbraw/zinc/53/00/65/210530065.db2.gz MHZXAXPUGBVMOA-UHFFFAOYSA-N 2 1 396.438 3.120 40 0 GGABMP c1cc(C[N@@H+]2CCc3nnc([C@H]4CCC[NH2+]4)n3CC2)cc(OC2CCCC2)c1 ZINC000019706404 210284690 /nfs/dbraw/zinc/28/46/90/210284690.db2.gz PSHADBSRBWNOJF-HXUWFJFHSA-N 2 1 381.524 3.082 40 0 GGABMP C[NH+]1CCC(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)CC1 ZINC000113952423 565071762 /nfs/dbraw/zinc/07/17/62/565071762.db2.gz FOJWUFKHPKXGJM-UHFFFAOYSA-N 2 1 384.351 3.416 40 0 GGABMP C[NH+](C)Cc1ccc(NC(=O)c2cc3c(s2)CC[NH2+]C3)cc1Br ZINC000662535671 567446146 /nfs/dbraw/zinc/44/61/46/567446146.db2.gz NWIHNTHRINUYBD-UHFFFAOYSA-N 2 1 394.338 3.470 40 0 GGABMP O=C([C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000038850771 570587570 /nfs/dbraw/zinc/58/75/70/570587570.db2.gz LYIQXVWCMHGJPY-QFIPXVFZSA-N 2 1 395.522 3.382 40 0 GGABMP O=C([C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000038850771 570587574 /nfs/dbraw/zinc/58/75/74/570587574.db2.gz LYIQXVWCMHGJPY-QFIPXVFZSA-N 2 1 395.522 3.382 40 0 GGABMP C[C@@H]1C[C@H](C)C[N@H+](CCCc2nnc(CCC[NH+]3[C@H](C)CCC[C@H]3C)n2N)C1 ZINC000260574237 570920228 /nfs/dbraw/zinc/92/02/28/570920228.db2.gz QROVSTVLZBHJBS-IYWMVGAKSA-N 2 1 390.620 3.098 40 0 GGABMP COC[C@H]1C[N@@H+](CC2CCOCC2)CC12CC[NH+](Cc1ccsc1)CC2 ZINC000585102695 570931134 /nfs/dbraw/zinc/93/11/34/570931134.db2.gz BAWFRDZVYGLIMT-HXUWFJFHSA-N 2 1 378.582 3.335 40 0 GGABMP c1csc([C@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)N2CCOCC2)c1 ZINC000023257797 570997724 /nfs/dbraw/zinc/99/77/24/570997724.db2.gz INYHDSLJLLDDHF-NRFANRHFSA-N 2 1 385.577 3.376 40 0 GGABMP C[N@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@H]1C1CC[NH+](Cc2ccccn2)CC1 ZINC000248126704 1433771793 /nfs/dbraw/zinc/77/17/93/1433771793.db2.gz LYNQTSDWKQEHQI-GCJKJVERSA-N 2 1 396.510 3.392 40 0 GGABMP C[N@H+]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[C@H]1C1CC[NH+](Cc2ccccn2)CC1 ZINC000248126701 1433771896 /nfs/dbraw/zinc/77/18/96/1433771896.db2.gz LYNQTSDWKQEHQI-AVRDEDQJSA-N 2 1 396.510 3.392 40 0 GGABMP C[N@H+]1C[C@@H](C(=O)Nc2cccc(F)c2)C[C@H]1C1CC[NH+](Cc2ccccn2)CC1 ZINC000248148598 1433774646 /nfs/dbraw/zinc/77/46/46/1433774646.db2.gz SOHGOSRBINNGGA-AVRDEDQJSA-N 2 1 396.510 3.392 40 0 GGABMP COc1ccc(C[NH+]2CCC3(CC2)Nc2ccccc2C2=[NH+]CCN23)cc1OC ZINC000072327125 222228775 /nfs/dbraw/zinc/22/87/75/222228775.db2.gz FCGBRWFNWNHPMG-UHFFFAOYSA-N 2 1 392.503 3.184 40 0 GGABMP C[NH+](C)CCn1nc([C@H]2CC[N@@H+](Cc3cc4ccccc4o3)C2)c2nccnc21 ZINC000072391699 222249899 /nfs/dbraw/zinc/24/98/99/222249899.db2.gz ASCHVYPEEHZFHS-KRWDZBQOSA-N 2 1 390.491 3.124 40 0 GGABMP C[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CC[NH+](Cc1cccs1)CC3 ZINC000096036298 222372632 /nfs/dbraw/zinc/37/26/32/222372632.db2.gz BHTJWMOJOZGHLL-SIKLNZKXSA-N 2 1 387.593 3.295 40 0 GGABMP COc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4cccnc4)CO3)CC2)cc1 ZINC000096047987 222374578 /nfs/dbraw/zinc/37/45/78/222374578.db2.gz SOXVLUMUHDHLFM-NRFANRHFSA-N 2 1 381.520 3.346 40 0 GGABMP Cc1ccc(C[N@H+]2Cc3ccccc3C3(CC[NH+](CC(=O)N(C)C)CC3)C2)cc1 ZINC000096242426 570222663 /nfs/dbraw/zinc/22/26/63/570222663.db2.gz XWQONOQOZIUZSX-UHFFFAOYSA-N 2 1 391.559 3.433 40 0 GGABMP Cc1ccc(C[N@H+]2Cc3ccccc3C3(CC[NH+](CC(=O)N(C)C)CC3)C2)s1 ZINC000096242423 570222730 /nfs/dbraw/zinc/22/27/30/570222730.db2.gz LQQVYOYBZJWLBP-UHFFFAOYSA-N 2 1 397.588 3.494 40 0 GGABMP Cn1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccnc2)Cc2ccccc23)cn1 ZINC000096242577 570223168 /nfs/dbraw/zinc/22/31/68/570223168.db2.gz DKJLJOZFUIDXFL-UHFFFAOYSA-N 2 1 387.531 3.365 40 0 GGABMP C[N@H+](Cc1cccc(OCC[NH+]2CCCCC2)c1)C[C@@H](O)COc1ccccc1 ZINC000257309087 570489295 /nfs/dbraw/zinc/48/92/95/570489295.db2.gz TZMOUEUEIVKEKR-JOCHJYFZSA-N 2 1 398.547 3.423 40 0 GGABMP Cc1[nH+]ccn1Cc1ccc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000225298204 570562849 /nfs/dbraw/zinc/56/28/49/570562849.db2.gz IVNIZRQWFPHMDE-UHFFFAOYSA-N 2 1 388.515 3.418 40 0 GGABMP Cc1[nH+]ccn1Cc1ccc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000225298204 570562856 /nfs/dbraw/zinc/56/28/56/570562856.db2.gz IVNIZRQWFPHMDE-UHFFFAOYSA-N 2 1 388.515 3.418 40 0 GGABMP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225582686 570590872 /nfs/dbraw/zinc/59/08/72/570590872.db2.gz NHPZLKQSOVZCRW-UHFFFAOYSA-N 2 1 381.923 3.293 40 0 GGABMP c1ccc([C@@]23C[NH+](Cc4cccnc4)C[C@H]2C[N@H+](C[C@H]2CCOC2)CC3)cc1 ZINC000247913146 570717259 /nfs/dbraw/zinc/71/72/59/570717259.db2.gz LYRWXWTWHFHLNQ-GMKZXUHWSA-N 2 1 377.532 3.194 40 0 GGABMP c1ccc([C@@]23C[NH+](Cc4cccnc4)C[C@H]2C[N@@H+](C[C@H]2CCOC2)CC3)cc1 ZINC000247913146 570717262 /nfs/dbraw/zinc/71/72/62/570717262.db2.gz LYRWXWTWHFHLNQ-GMKZXUHWSA-N 2 1 377.532 3.194 40 0 GGABMP c1ccc([C@@]23C[N@H+](Cc4cccnc4)C[C@H]2C[NH+](C[C@H]2CCOC2)CC3)cc1 ZINC000247913146 570717267 /nfs/dbraw/zinc/71/72/67/570717267.db2.gz LYRWXWTWHFHLNQ-GMKZXUHWSA-N 2 1 377.532 3.194 40 0 GGABMP c1ccc([C@@]23C[N@@H+](Cc4cccnc4)C[C@H]2C[NH+](C[C@H]2CCOC2)CC3)cc1 ZINC000247913146 570717269 /nfs/dbraw/zinc/71/72/69/570717269.db2.gz LYRWXWTWHFHLNQ-GMKZXUHWSA-N 2 1 377.532 3.194 40 0 GGABMP Cc1[nH+]ccn1[C@@H]1CCC[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@H]1O ZINC000257263052 570771944 /nfs/dbraw/zinc/77/19/44/570771944.db2.gz LODZBSSCQFSPRK-YPAWHYETSA-N 2 1 396.535 3.062 40 0 GGABMP COC[C@@H]1C[N@@H+](CC2CCOCC2)CC12CC[NH+](Cc1cccs1)CC2 ZINC000585102954 570931086 /nfs/dbraw/zinc/93/10/86/570931086.db2.gz JVKKMBPIUREIHZ-IBGZPJMESA-N 2 1 378.582 3.335 40 0 GGABMP Cc1ccsc1C[NH+]1CCN(C2=NO[C@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000306130938 570939334 /nfs/dbraw/zinc/93/93/34/570939334.db2.gz JSXAJCKQUBLNDB-PMACEKPBSA-N 2 1 396.560 3.018 40 0 GGABMP Cc1ccsc1C[NH+]1CCN(C2=NO[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000306130938 570939337 /nfs/dbraw/zinc/93/93/37/570939337.db2.gz JSXAJCKQUBLNDB-PMACEKPBSA-N 2 1 396.560 3.018 40 0 GGABMP C[N@@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CC[NH+](Cc3ccco3)CC2)C1 ZINC000306142244 570945824 /nfs/dbraw/zinc/94/58/24/570945824.db2.gz WUMZOEHFXHGATH-UHFFFAOYSA-N 2 1 381.455 3.114 40 0 GGABMP C[N@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CC[NH+](Cc3ccco3)CC2)C1 ZINC000306142244 570945825 /nfs/dbraw/zinc/94/58/25/570945825.db2.gz WUMZOEHFXHGATH-UHFFFAOYSA-N 2 1 381.455 3.114 40 0 GGABMP Cn1cc(C[N@H+]2CCC[C@H](c3ncc4c(n3)CC[NH+](C)C4)C2)c2cc(F)ccc21 ZINC000019290346 570971707 /nfs/dbraw/zinc/97/17/07/570971707.db2.gz XIKLXUBUNCGTCG-INIZCTEOSA-N 2 1 393.510 3.475 40 0 GGABMP Cn1cc(C[NH+]2CCC[C@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)c2cc(F)ccc21 ZINC000019290346 570971713 /nfs/dbraw/zinc/97/17/13/570971713.db2.gz XIKLXUBUNCGTCG-INIZCTEOSA-N 2 1 393.510 3.475 40 0 GGABMP Cn1cc(C[NH+]2CCC[C@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)c2cc(F)ccc21 ZINC000019290346 570971718 /nfs/dbraw/zinc/97/17/18/570971718.db2.gz XIKLXUBUNCGTCG-INIZCTEOSA-N 2 1 393.510 3.475 40 0 GGABMP [NH3+]CCn1nc([C@H]2CC[N@@H+](Cc3ccc(Cl)c(Cl)c3)C2)c2nccnc21 ZINC000019292837 570972739 /nfs/dbraw/zinc/97/27/39/570972739.db2.gz PYCHGPKPWFCXIM-ZDUSSCGKSA-N 2 1 391.306 3.081 40 0 GGABMP [NH3+]CCn1nc([C@@H]2CC[N@@H+](Cc3ccc(Cl)c(Cl)c3)C2)c2nccnc21 ZINC000019292835 570972860 /nfs/dbraw/zinc/97/28/60/570972860.db2.gz PYCHGPKPWFCXIM-CYBMUJFWSA-N 2 1 391.306 3.081 40 0 GGABMP CC(C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCc1ccccc1[C@@H]2[NH3+] ZINC000019450009 570985163 /nfs/dbraw/zinc/98/51/63/570985163.db2.gz XJFHNPBCUIAJSU-WPFOTENUSA-N 2 1 377.532 3.276 40 0 GGABMP COc1ccc(C[N@H+]2CCC[C@@H](c3ncc4c(n3)CC[NH+](C)C4)C2)c(C)c1C ZINC000019577371 571012074 /nfs/dbraw/zinc/01/20/74/571012074.db2.gz LWTLWHREMLIDGK-LJQANCHMSA-N 2 1 380.536 3.470 40 0 GGABMP COc1ccc(C[NH+]2CCC[C@@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)c(C)c1C ZINC000019577371 571012076 /nfs/dbraw/zinc/01/20/76/571012076.db2.gz LWTLWHREMLIDGK-LJQANCHMSA-N 2 1 380.536 3.470 40 0 GGABMP COc1ccc(C[NH+]2CCC[C@@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)c(C)c1C ZINC000019577371 571012081 /nfs/dbraw/zinc/01/20/81/571012081.db2.gz LWTLWHREMLIDGK-LJQANCHMSA-N 2 1 380.536 3.470 40 0 GGABMP C[N@H+]1CCc2nc([C@@H]3CCC[NH+](CCCOc4ccc(F)cc4)C3)ncc2C1 ZINC000019590470 571018106 /nfs/dbraw/zinc/01/81/06/571018106.db2.gz QTNSZJACMOZVDH-QGZVFWFLSA-N 2 1 384.499 3.252 40 0 GGABMP C[NH+]1CCc2nc([C@@H]3CCC[N@H+](CCCOc4ccc(F)cc4)C3)ncc2C1 ZINC000019590470 571018108 /nfs/dbraw/zinc/01/81/08/571018108.db2.gz QTNSZJACMOZVDH-QGZVFWFLSA-N 2 1 384.499 3.252 40 0 GGABMP C[NH+]1CCc2nc([C@@H]3CCC[N@@H+](CCCOc4ccc(F)cc4)C3)ncc2C1 ZINC000019590470 571018110 /nfs/dbraw/zinc/01/81/10/571018110.db2.gz QTNSZJACMOZVDH-QGZVFWFLSA-N 2 1 384.499 3.252 40 0 GGABMP Cc1cc(N2CCN(Cc3cnc(C(C)C)nc3)CC2)cc([C@H]2CCC[NH2+]2)[nH+]1 ZINC000019697957 571030382 /nfs/dbraw/zinc/03/03/82/571030382.db2.gz DJKUXBOUQUDPOY-HXUWFJFHSA-N 2 1 380.540 3.050 40 0 GGABMP CC(=O)N1CCN(c2cc(C)[nH+]c([C@@H]3CC[N@@H+](Cc4ccccc4F)C3)c2)CC1 ZINC000019705384 1399335360 /nfs/dbraw/zinc/33/53/60/1399335360.db2.gz FPIXJEYOICAEQX-HXUWFJFHSA-N 2 1 396.510 3.187 40 0 GGABMP c1cc(OC2CCCC2)ccc1C[N@@H+]1CCc2nnc([C@H]3CCC[NH2+]3)n2CC1 ZINC000019706339 1399335718 /nfs/dbraw/zinc/33/57/18/1399335718.db2.gz XKDGJFSUGYXXSZ-HXUWFJFHSA-N 2 1 381.524 3.082 40 0 GGABMP Cc1ccc(OCCC[NH+]2CCN(c3cc(C)nc([C@@H]4CC[NH2+]C4)c3)CC2)cc1 ZINC000019739034 1399337141 /nfs/dbraw/zinc/33/71/41/1399337141.db2.gz ZDXQMKSSTPCLLB-OAQYLSRUSA-N 2 1 394.563 3.366 40 0 GGABMP Cc1nc2c(c(N3CC[NH+]4CCCC[C@H]4C3)n1)CC[N@H+](Cc1ccccc1)C2 ZINC000247979587 1433760748 /nfs/dbraw/zinc/76/07/48/1433760748.db2.gz WRGAWXOSVNTDKQ-FQEVSTJZSA-N 2 1 377.536 3.018 40 0 GGABMP Cc1nc2c(c(N3CC[NH+]4CCCC[C@H]4C3)n1)CC[N@@H+](Cc1ccccc1)C2 ZINC000247979587 1433760752 /nfs/dbraw/zinc/76/07/52/1433760752.db2.gz WRGAWXOSVNTDKQ-FQEVSTJZSA-N 2 1 377.536 3.018 40 0 GGABMP Cc1nc2c(c(N3CC[N@@H+]4CCCC[C@H]4C3)n1)CC[NH+](Cc1ccccc1)C2 ZINC000247979587 1433760758 /nfs/dbraw/zinc/76/07/58/1433760758.db2.gz WRGAWXOSVNTDKQ-FQEVSTJZSA-N 2 1 377.536 3.018 40 0 GGABMP Cc1nc2c(c(N3CC[N@H+]4CCCC[C@H]4C3)n1)CC[NH+](Cc1ccccc1)C2 ZINC000247979587 1433760765 /nfs/dbraw/zinc/76/07/65/1433760765.db2.gz WRGAWXOSVNTDKQ-FQEVSTJZSA-N 2 1 377.536 3.018 40 0 GGABMP c1nc2ccccc2n1-c1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000022812279 205964779 /nfs/dbraw/zinc/96/47/79/205964779.db2.gz MPRVUAOYVWUNBC-UHFFFAOYSA-N 2 1 389.547 3.239 40 0 GGABMP COC[C@H]1C[N@@H+](Cc2ccsc2)CC12CC[NH+](CC1CCOCC1)CC2 ZINC000247827345 206132780 /nfs/dbraw/zinc/13/27/80/206132780.db2.gz GIRXPWBXCHHWJK-HXUWFJFHSA-N 2 1 378.582 3.335 40 0 GGABMP C[N@@H+]1Cc2nnc(-c3ccco3)n2C2(CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000306142770 206207028 /nfs/dbraw/zinc/20/70/28/206207028.db2.gz XJBXKXCIPSIRTO-UHFFFAOYSA-N 2 1 381.455 3.114 40 0 GGABMP C[N@H+]1Cc2nnc(-c3ccco3)n2C2(CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000306142770 206207033 /nfs/dbraw/zinc/20/70/33/206207033.db2.gz XJBXKXCIPSIRTO-UHFFFAOYSA-N 2 1 381.455 3.114 40 0 GGABMP C[N@@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CC[NH+](Cc3ccoc3)CC2)C1 ZINC000306141793 206207151 /nfs/dbraw/zinc/20/71/51/206207151.db2.gz WGPSUCCMGWQHLO-UHFFFAOYSA-N 2 1 381.455 3.114 40 0 GGABMP C[N@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CC[NH+](Cc3ccoc3)CC2)C1 ZINC000306141793 206207154 /nfs/dbraw/zinc/20/71/54/206207154.db2.gz WGPSUCCMGWQHLO-UHFFFAOYSA-N 2 1 381.455 3.114 40 0 GGABMP C[N@@H+]1Cc2nnc(-c3ccco3)n2C2(CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000306126042 206197177 /nfs/dbraw/zinc/19/71/77/206197177.db2.gz DKNDZGULYSRTJR-UHFFFAOYSA-N 2 1 381.455 3.114 40 0 GGABMP C[N@H+]1Cc2nnc(-c3ccco3)n2C2(CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000306126042 206197181 /nfs/dbraw/zinc/19/71/81/206197181.db2.gz DKNDZGULYSRTJR-UHFFFAOYSA-N 2 1 381.455 3.114 40 0 GGABMP C[C@]1(O)C[N@@H+](Cc2ccc(OCC[NH3+])cc2)CC[C@@H]1Oc1cccc(Cl)c1 ZINC000585274539 570243773 /nfs/dbraw/zinc/24/37/73/570243773.db2.gz WFEFPURXPPGQIS-SFTDATJTSA-N 2 1 390.911 3.082 40 0 GGABMP C[N@H+](Cc1cccc(OCC[NH+]2CCCCC2)c1)C[C@H](O)COc1ccccc1 ZINC000257309088 570489484 /nfs/dbraw/zinc/48/94/84/570489484.db2.gz TZMOUEUEIVKEKR-QFIPXVFZSA-N 2 1 398.547 3.423 40 0 GGABMP CC(C)(C[N@H+]1CC[C@H](c2cc(=O)[nH]c(N3CCCC3)n2)C1)C[NH+]1CCCCC1 ZINC000012365901 570646471 /nfs/dbraw/zinc/64/64/71/570646471.db2.gz WMMKJPVPDLJFNN-SFHVURJKSA-N 2 1 387.572 3.084 40 0 GGABMP C[C@@H]1C[C@@H](C)C[NH+](CCCc2nnc(CCC[N@@H+]3[C@H](C)CCC[C@@H]3C)n2N)C1 ZINC000260574243 570920411 /nfs/dbraw/zinc/92/04/11/570920411.db2.gz QROVSTVLZBHJBS-WTGUMLROSA-N 2 1 390.620 3.098 40 0 GGABMP COc1ccc2c(c1)CN(CC(C)(C)C[NH+](C)C)C[C@]1(CCC[N@@H+](C)CC1)O2 ZINC000019084987 570956656 /nfs/dbraw/zinc/95/66/56/570956656.db2.gz BKUJQPJOTLHQOT-HSZRJFAPSA-N 2 1 389.584 3.332 40 0 GGABMP Cc1[nH+]ccn1C[C@@H](C)C(=O)N1C[C@@H](c2cccc(F)c2)[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019287737 570970619 /nfs/dbraw/zinc/97/06/19/570970619.db2.gz FAKBATGWNQWUJY-ZJMJOCHXSA-N 2 1 398.526 3.494 40 0 GGABMP Cc1[nH+]ccn1C[C@@H](C)C(=O)N(C)C1CCC2(CC1)C[NH2+]Cc1ccccc1O2 ZINC000019287653 570970640 /nfs/dbraw/zinc/97/06/40/570970640.db2.gz BOXMNWVCPNMZON-WMAFBANVSA-N 2 1 396.535 3.150 40 0 GGABMP CC1CC[NH+](CC(=O)N(C)C2CCC3(CC2)C[N@@H+](C)Cc2ccccc2O3)CC1 ZINC000019496850 570989849 /nfs/dbraw/zinc/98/98/49/570989849.db2.gz LEXZMHBXDKHYAD-UHFFFAOYSA-N 2 1 399.579 3.383 40 0 GGABMP COc1ccc(C[N@H+]2CCC[C@H](c3ncc4c(n3)CC[NH+](C)C4)C2)c(C)c1C ZINC000019577372 571012043 /nfs/dbraw/zinc/01/20/43/571012043.db2.gz LWTLWHREMLIDGK-IBGZPJMESA-N 2 1 380.536 3.470 40 0 GGABMP COc1ccc(C[NH+]2CCC[C@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)c(C)c1C ZINC000019577372 571012048 /nfs/dbraw/zinc/01/20/48/571012048.db2.gz LWTLWHREMLIDGK-IBGZPJMESA-N 2 1 380.536 3.470 40 0 GGABMP COc1ccc(C[NH+]2CCC[C@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)c(C)c1C ZINC000019577372 571012053 /nfs/dbraw/zinc/01/20/53/571012053.db2.gz LWTLWHREMLIDGK-IBGZPJMESA-N 2 1 380.536 3.470 40 0 GGABMP Cc1onc(C(=O)NCC2([NH+]3CCCCC3)CCC(C)CC2)c1C[NH+](C)C ZINC000019663487 571026878 /nfs/dbraw/zinc/02/68/78/571026878.db2.gz IHDJNVZBTFPNIC-UHFFFAOYSA-N 2 1 376.545 3.209 40 0 GGABMP Cc1ccc(C[NH+]2CCC3(CC[C@@]4(C(=O)N(C)C)C[N@H+](C)C[C@@H]34)CC2)s1 ZINC000096036285 571096157 /nfs/dbraw/zinc/09/61/57/571096157.db2.gz JNSHKXJRHAZWDZ-GHTZIAJQSA-N 2 1 375.582 3.069 40 0 GGABMP COc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccncc4)CO3)CC2)cc1 ZINC000096048084 571097287 /nfs/dbraw/zinc/09/72/87/571097287.db2.gz OCXDMJWKECLHSG-OAQYLSRUSA-N 2 1 381.520 3.346 40 0 GGABMP COc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccncc4)CO3)CC2)cc1 ZINC000096048085 571097299 /nfs/dbraw/zinc/09/72/99/571097299.db2.gz OCXDMJWKECLHSG-NRFANRHFSA-N 2 1 381.520 3.346 40 0 GGABMP CC[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CC[NH+](Cc1ccoc1)CC3 ZINC000096062592 571098495 /nfs/dbraw/zinc/09/84/95/571098495.db2.gz KHFUGPPWBHTFFO-NZQKXSOJSA-N 2 1 385.552 3.216 40 0 GGABMP c1cc(OC2CCCC2)ccc1C[N@@H+]1CCc2nnc([C@@H]3CCC[NH2+]3)n2CC1 ZINC000019706338 1399335508 /nfs/dbraw/zinc/33/55/08/1399335508.db2.gz XKDGJFSUGYXXSZ-FQEVSTJZSA-N 2 1 381.524 3.082 40 0 GGABMP Cc1nc2c(c(N3CC[N@H+]4CCCC[C@H]4C3)n1)CN(Cc1ccccc1)CC2 ZINC000247959759 1433759380 /nfs/dbraw/zinc/75/93/80/1433759380.db2.gz NUCZEQRVZYDIQK-FQEVSTJZSA-N 2 1 377.536 3.018 40 0 GGABMP Cc1nc2c(c(N3CCN4CCCC[C@H]4C3)n1)CN(Cc1ccccc1)CC2 ZINC000247959759 1433759382 /nfs/dbraw/zinc/75/93/82/1433759382.db2.gz NUCZEQRVZYDIQK-FQEVSTJZSA-N 2 1 377.536 3.018 40 0 GGABMP Cc1[nH+]ccn1C[C@H](C)C(=O)N1C[C@@H](c2cccc(F)c2)[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019287736 207113388 /nfs/dbraw/zinc/11/33/88/207113388.db2.gz FAKBATGWNQWUJY-ZIPUMODLSA-N 2 1 398.526 3.494 40 0 GGABMP CCOc1ccc(C[N@H+]2CC[C@H](c3nn(CC[NH+](C)C)c4ncccc34)C2)cc1 ZINC000019533199 207130886 /nfs/dbraw/zinc/13/08/86/207130886.db2.gz FNPYPKGBYZOTPH-IBGZPJMESA-N 2 1 393.535 3.381 40 0 GGABMP C[C@H]1CCCC[N@H+]1CC(=O)N(C)C1CCC2(CC1)C[NH2+]Cc1ccccc1O2 ZINC000019496328 207125744 /nfs/dbraw/zinc/12/57/44/207125744.db2.gz JKBZESPCPDSKLC-QRGRWYIGSA-N 2 1 385.552 3.183 40 0 GGABMP C[C@H]1CCC[N@@H+](CC(=O)N(C)C2CCC3(CC2)C[NH2+]Cc2ccccc2O3)C1 ZINC000019496491 207125793 /nfs/dbraw/zinc/12/57/93/207125793.db2.gz FLZNSYCMRNNKJH-QRGRWYIGSA-N 2 1 385.552 3.040 40 0 GGABMP COc1cc(C)c(C[N@H+]2CCC[C@H](c3ncc4c(n3)CC[NH+](C)C4)C2)cc1C ZINC000019567330 207136494 /nfs/dbraw/zinc/13/64/94/207136494.db2.gz DOWVNUIATGWISB-SFHVURJKSA-N 2 1 380.536 3.470 40 0 GGABMP COc1cc(C)c(C[NH+]2CCC[C@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)cc1C ZINC000019567330 207136497 /nfs/dbraw/zinc/13/64/97/207136497.db2.gz DOWVNUIATGWISB-SFHVURJKSA-N 2 1 380.536 3.470 40 0 GGABMP COc1cc(C)c(C[NH+]2CCC[C@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)cc1C ZINC000019567330 207136500 /nfs/dbraw/zinc/13/65/00/207136500.db2.gz DOWVNUIATGWISB-SFHVURJKSA-N 2 1 380.536 3.470 40 0 GGABMP COc1ccc(C[NH+]2CCC(c3ncc4c(n3)CC[N@H+](C)C4)CC2)c(C)c1C ZINC000019577327 207138230 /nfs/dbraw/zinc/13/82/30/207138230.db2.gz FTKBOBUUYISAJD-UHFFFAOYSA-N 2 1 380.536 3.470 40 0 GGABMP C[N@H+]1C[C@H](C(=O)Nc2cccc(F)c2)C[C@@H]1C1CC[NH+](Cc2cccnc2)CC1 ZINC000019587741 207139313 /nfs/dbraw/zinc/13/93/13/207139313.db2.gz RVUVEZYQAZZSAE-DENIHFKCSA-N 2 1 396.510 3.392 40 0 GGABMP CNc1nc([C@@H]2CCC[NH2+]2)nc2c1CC[N@H+](Cc1c(C)cc(OC)c(C)c1C)C2 ZINC000019707469 207149616 /nfs/dbraw/zinc/14/96/16/207149616.db2.gz BRDKHOQGRRLFTA-IBGZPJMESA-N 2 1 395.551 3.435 40 0 GGABMP CNc1nc([C@@H]2CCC[NH2+]2)nc2c1CC[N@@H+](Cc1c(C)cc(OC)c(C)c1C)C2 ZINC000019707469 207149620 /nfs/dbraw/zinc/14/96/20/207149620.db2.gz BRDKHOQGRRLFTA-IBGZPJMESA-N 2 1 395.551 3.435 40 0 GGABMP COC(=O)c1ccc(C[N@H+]2Cc3ccccc3OC3(CC[NH+](C)CC3)C2)cc1 ZINC000019588418 207142247 /nfs/dbraw/zinc/14/22/47/207142247.db2.gz ZFQCGUVZUPZKNQ-UHFFFAOYSA-N 2 1 380.488 3.332 40 0 GGABMP C[NH2+]C1CCC2(CC1)C[N@@H+](Cc1cccnc1N(C)C)Cc1ccccc1O2 ZINC000019592019 207142437 /nfs/dbraw/zinc/14/24/37/207142437.db2.gz ZGVHIFUKYQQRMM-UHFFFAOYSA-N 2 1 380.536 3.443 40 0 GGABMP COc1ccccc1/C=C/C[NH+]1CCC(c2ncc3c(n2)CC[N@H+](C)C3)CC1 ZINC000019590703 207142592 /nfs/dbraw/zinc/14/25/92/207142592.db2.gz BYFWWZWIRPKJCR-FNORWQNLSA-N 2 1 378.520 3.366 40 0 GGABMP Cc1noc(C)c1C[NH+]1CCC2(CC1)C[N@H+]([C@H]1CCOC1)Cc1ccccc12 ZINC000096053080 208257503 /nfs/dbraw/zinc/25/75/03/208257503.db2.gz YRHXWOWUHSHCQV-FQEVSTJZSA-N 2 1 381.520 3.430 40 0 GGABMP Cc1noc(C)c1C[NH+]1CCC2(CC1)C[N@H+]([C@@H]1CCOC1)Cc1ccccc12 ZINC000096053079 208258516 /nfs/dbraw/zinc/25/85/16/208258516.db2.gz YRHXWOWUHSHCQV-HXUWFJFHSA-N 2 1 381.520 3.430 40 0 GGABMP CCc1c(C)nc2cc([C@H]3CC[N@@H+](CC(C)(C)C[NH+]4CCCC4)C3)[n-]n2c1=O ZINC000100766998 208381998 /nfs/dbraw/zinc/38/19/98/208381998.db2.gz HOJKFEVEHRSIRM-KRWDZBQOSA-N 2 1 385.556 3.217 40 0 GGABMP CCc1c(C)nc2cc([C@H]3CCN(CC(C)(C)C[NH+]4CCCC4)C3)[n-]n2c1=O ZINC000100766998 208382005 /nfs/dbraw/zinc/38/20/05/208382005.db2.gz HOJKFEVEHRSIRM-KRWDZBQOSA-N 2 1 385.556 3.217 40 0 GGABMP Cc1ccsc1C[NH+]1CCN(C2=NO[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000306130941 209100456 /nfs/dbraw/zinc/10/04/56/209100456.db2.gz JSXAJCKQUBLNDB-WOJBJXKFSA-N 2 1 396.560 3.018 40 0 GGABMP Cc1ccsc1C[NH+]1CCN(C2=NO[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000306130941 209100461 /nfs/dbraw/zinc/10/04/61/209100461.db2.gz JSXAJCKQUBLNDB-WOJBJXKFSA-N 2 1 396.560 3.018 40 0 GGABMP Cc1ccc(C[NH+]2CCC3(CC2)C[N@H+](C)Cc2nnc(-c4ccco4)n23)s1 ZINC000306122993 209096075 /nfs/dbraw/zinc/09/60/75/209096075.db2.gz ABQQJORQGWEOTF-UHFFFAOYSA-N 2 1 383.521 3.345 40 0 GGABMP Cc1ncc(C[NH+]2CCC3(CC2)Nc2cc(Cl)ccc2C2=[NH+]CCCN23)cn1 ZINC000072342677 222231020 /nfs/dbraw/zinc/23/10/20/222231020.db2.gz UNQPPGLXLAMXTE-UHFFFAOYSA-N 2 1 396.926 3.309 40 0 GGABMP CCCC[N@@H+](CCC)CCCc1nnc(CCC[NH+]2CCCCCC2)n1N ZINC000225149742 528398236 /nfs/dbraw/zinc/39/82/36/528398236.db2.gz KRGHONVLRHMVFT-UHFFFAOYSA-N 2 1 378.609 3.245 40 0 GGABMP C[NH+]1CCN(c2ccc(-c3noc([C@@H]4CCC[N@@H+]4C4CCCCC4)n3)cn2)CC1 ZINC000049155107 560083966 /nfs/dbraw/zinc/08/39/66/560083966.db2.gz GMZHXHKWJJWOJW-IBGZPJMESA-N 2 1 396.539 3.353 40 0 biogenic,in-vitro GGABMP C[NH+]1CCN(c2ccc(-c3noc([C@@H]4CCC[N@H+]4C4CCCCC4)n3)cn2)CC1 ZINC000049155107 560083967 /nfs/dbraw/zinc/08/39/67/560083967.db2.gz GMZHXHKWJJWOJW-IBGZPJMESA-N 2 1 396.539 3.353 40 0 biogenic,in-vitro GGABMP Cc1ccccc1[C@@H](OC[C@H](O)C[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000023408941 570361275 /nfs/dbraw/zinc/36/12/75/570361275.db2.gz MPFAKPMSMAGBCG-VWNXMTODSA-N 2 1 382.548 3.488 40 0 GGABMP Cc1ccccc1[C@@H](OC[C@H](O)C[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000023408941 570361279 /nfs/dbraw/zinc/36/12/79/570361279.db2.gz MPFAKPMSMAGBCG-VWNXMTODSA-N 2 1 382.548 3.488 40 0 GGABMP Cc1[nH+]ccn1-c1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H](C)O)cc1 ZINC000012116726 570611337 /nfs/dbraw/zinc/61/13/37/570611337.db2.gz WLOCZLTUWMNWSP-INIZCTEOSA-N 2 1 379.460 3.292 40 0 GGABMP Cc1[nH+]ccn1-c1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H](C)O)cc1 ZINC000012116726 570611338 /nfs/dbraw/zinc/61/13/38/570611338.db2.gz WLOCZLTUWMNWSP-INIZCTEOSA-N 2 1 379.460 3.292 40 0 GGABMP c1cc(C[NH+]2CCC3(CC2)Nc2ccccc2C2=[NH+]CCN23)n(-c2cccnc2)c1 ZINC000072327146 570879100 /nfs/dbraw/zinc/87/91/00/570879100.db2.gz SVETUZAAHLCUKH-UHFFFAOYSA-N 2 1 398.514 3.352 40 0 GGABMP O=C(C[N@H+](Cc1ccccc1)C1CC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000032909681 570912073 /nfs/dbraw/zinc/91/20/73/570912073.db2.gz WMCRPZIIVAVAJH-UHFFFAOYSA-N 2 1 377.532 3.432 40 0 GGABMP O=C(C[N@@H+](Cc1ccccc1)C1CC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000032909681 570912076 /nfs/dbraw/zinc/91/20/76/570912076.db2.gz WMCRPZIIVAVAJH-UHFFFAOYSA-N 2 1 377.532 3.432 40 0 GGABMP C[C@@H]1C[C@H](C)C[N@H+](CCCc2nnc(CCC[NH+]3[C@H](C)CCC[C@@H]3C)n2N)C1 ZINC000260574232 570920190 /nfs/dbraw/zinc/92/01/90/570920190.db2.gz QROVSTVLZBHJBS-FGYAAKKASA-N 2 1 390.620 3.098 40 0 GGABMP C[C@@H]1C[C@H](C)C[NH+](CCCc2nnc(CCC[N@H+]3[C@H](C)CCC[C@@H]3C)n2N)C1 ZINC000260574232 570920195 /nfs/dbraw/zinc/92/01/95/570920195.db2.gz QROVSTVLZBHJBS-FGYAAKKASA-N 2 1 390.620 3.098 40 0 GGABMP C[C@@H]1C[C@H](C)C[NH+](CCCc2nnc(CCC[N@@H+]3[C@H](C)CCC[C@@H]3C)n2N)C1 ZINC000260574232 570920197 /nfs/dbraw/zinc/92/01/97/570920197.db2.gz QROVSTVLZBHJBS-FGYAAKKASA-N 2 1 390.620 3.098 40 0 GGABMP C[NH+](C)CC(C)(C)C[N@@H+]1C[C@@H](c2cccc(F)c2)[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019712801 1399336773 /nfs/dbraw/zinc/33/67/73/1399336773.db2.gz ODWSKJZODRBEIL-ZVDOUQERSA-N 2 1 375.532 3.240 40 0 GGABMP C[NH+](C)CC(C)(C)C[N@H+]1C[C@@H](c2cccc(F)c2)[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019712801 1399336776 /nfs/dbraw/zinc/33/67/76/1399336776.db2.gz ODWSKJZODRBEIL-ZVDOUQERSA-N 2 1 375.532 3.240 40 0 GGABMP C[N@H+]1C[C@H](C(=O)Nc2cccc(F)c2)C[C@H]1C1CC[NH+](Cc2cccnc2)CC1 ZINC000248145652 1433774201 /nfs/dbraw/zinc/77/42/01/1433774201.db2.gz RVUVEZYQAZZSAE-KNQAVFIVSA-N 2 1 396.510 3.392 40 0 GGABMP CCOc1ccc(C[NH+]2CCC(c3ncc4c(n3)CC[N@H+](C)C4)CC2)cc1OC ZINC000019533770 210260153 /nfs/dbraw/zinc/26/01/53/210260153.db2.gz NKJXTFXTJUFWSS-UHFFFAOYSA-N 2 1 396.535 3.251 40 0 GGABMP C[C@@H]1CCC[N@@H+](CC(=O)N(C)C2CCC3(CC2)C[NH2+]Cc2ccccc2O3)C1 ZINC000019496490 210253329 /nfs/dbraw/zinc/25/33/29/210253329.db2.gz FLZNSYCMRNNKJH-TWEIKEKHSA-N 2 1 385.552 3.040 40 0 GGABMP CC(C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCc1ccccc1[C@H]2[NH3+] ZINC000019450011 210249012 /nfs/dbraw/zinc/24/90/12/210249012.db2.gz XJFHNPBCUIAJSU-WMTXJRDZSA-N 2 1 377.532 3.276 40 0 GGABMP CC(C)Oc1cccc(C[N@H+]2CC[C@@H](c3nn(CC[NH3+])c4ncccc34)C2)c1 ZINC000019450816 210247772 /nfs/dbraw/zinc/24/77/72/210247772.db2.gz XQVVDKBOMSTAGG-GOSISDBHSA-N 2 1 379.508 3.167 40 0 GGABMP Cn1cc(C[N@H+]2CCC[C@@H](c3ncc4c(n3)CC[NH+](C)C4)C2)c2cc(F)ccc21 ZINC000019290345 210237862 /nfs/dbraw/zinc/23/78/62/210237862.db2.gz XIKLXUBUNCGTCG-MRXNPFEDSA-N 2 1 393.510 3.475 40 0 GGABMP Cn1cc(C[NH+]2CCC[C@@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)c2cc(F)ccc21 ZINC000019290345 210237868 /nfs/dbraw/zinc/23/78/68/210237868.db2.gz XIKLXUBUNCGTCG-MRXNPFEDSA-N 2 1 393.510 3.475 40 0 GGABMP Cn1cc(C[NH+]2CCC[C@@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)c2cc(F)ccc21 ZINC000019290345 210237872 /nfs/dbraw/zinc/23/78/72/210237872.db2.gz XIKLXUBUNCGTCG-MRXNPFEDSA-N 2 1 393.510 3.475 40 0 GGABMP O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000008635584 291129652 /nfs/dbraw/zinc/12/96/52/291129652.db2.gz SGNQDVJRDGBDAL-OEMFJLHTSA-N 2 1 389.543 3.185 40 0 biogenic,in-vitro GGABMP Cc1ccsc1C[NH+]1CCN(C2=NO[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000306130940 212049702 /nfs/dbraw/zinc/04/97/02/212049702.db2.gz JSXAJCKQUBLNDB-VQTJNVASSA-N 2 1 396.560 3.018 40 0 GGABMP Cc1ccsc1C[NH+]1CCN(C2=NO[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000306130940 212049706 /nfs/dbraw/zinc/04/97/06/212049706.db2.gz JSXAJCKQUBLNDB-VQTJNVASSA-N 2 1 396.560 3.018 40 0 GGABMP C[C@@]12C[C@@H](CC(C)(C)C1)[N@H+](Cc1c([O-])c(CN3CCSCC3)coc1=O)C2 ZINC000101363128 211397748 /nfs/dbraw/zinc/39/77/48/211397748.db2.gz JXBIULDEWRYAKA-IIBYNOLFSA-N 2 1 392.565 3.295 40 0 GGABMP C[C@@]12C[C@@H](CC(C)(C)C1)[N@@H+](Cc1c([O-])c(CN3CCSCC3)coc1=O)C2 ZINC000101363128 211397751 /nfs/dbraw/zinc/39/77/51/211397751.db2.gz JXBIULDEWRYAKA-IIBYNOLFSA-N 2 1 392.565 3.295 40 0 GGABMP CN1CCC[N@@H+](Cc2ccccc2)CCN(Cc2ccccc2)CCC[NH2+]CC1 ZINC000068606255 211034152 /nfs/dbraw/zinc/03/41/52/211034152.db2.gz SLSGYTRFSSJXKB-UHFFFAOYSA-N 2 1 394.607 3.306 40 0 GGABMP C[N@@H+]1CCCN(Cc2ccccc2)CC[NH+](Cc2ccccc2)CCCNCC1 ZINC000068606255 211034154 /nfs/dbraw/zinc/03/41/54/211034154.db2.gz SLSGYTRFSSJXKB-UHFFFAOYSA-N 2 1 394.607 3.306 40 0 GGABMP C[N@H+]1CCCN(Cc2ccccc2)CC[NH+](Cc2ccccc2)CCCNCC1 ZINC000068606255 211034157 /nfs/dbraw/zinc/03/41/57/211034157.db2.gz SLSGYTRFSSJXKB-UHFFFAOYSA-N 2 1 394.607 3.306 40 0 GGABMP C[NH+]1CCCN(Cc2ccccc2)CC[N@H+](Cc2ccccc2)CCCNCC1 ZINC000068606255 211034160 /nfs/dbraw/zinc/03/41/60/211034160.db2.gz SLSGYTRFSSJXKB-UHFFFAOYSA-N 2 1 394.607 3.306 40 0 GGABMP C[NH+]1CCCN(Cc2ccccc2)CC[N@@H+](Cc2ccccc2)CCCNCC1 ZINC000068606255 211034173 /nfs/dbraw/zinc/03/41/73/211034173.db2.gz SLSGYTRFSSJXKB-UHFFFAOYSA-N 2 1 394.607 3.306 40 0 GGABMP c1cc(OC2CCCC2)ccc1C[N@H+]1CCC[C@@H](c2nnc3n2CC[NH2+]CC3)C1 ZINC000019709351 210284785 /nfs/dbraw/zinc/28/47/85/210284785.db2.gz VAMBIBHRKMYJAX-LJQANCHMSA-N 2 1 395.551 3.125 40 0 GGABMP c1ccc(OC2CCCC2)c(C[N@@H+]2CCc3nnc(C4CC[NH2+]CC4)n3CC2)c1 ZINC000019708952 210283096 /nfs/dbraw/zinc/28/30/96/210283096.db2.gz GCNIQVRORXSQNB-UHFFFAOYSA-N 2 1 395.551 3.125 40 0 GGABMP C[N@H+]1C[C@@H](C(=O)Nc2cccc(F)c2)C[C@@H]1C1CC[NH+](Cc2cccnc2)CC1 ZINC000019587739 210272732 /nfs/dbraw/zinc/27/27/32/210272732.db2.gz RVUVEZYQAZZSAE-SIKLNZKXSA-N 2 1 396.510 3.392 40 0 GGABMP COc1ccc(C[N@@H+](Cc2ccncc2)CC(C)(C)CN2CC[NH+](C)CC2)cc1 ZINC000022913729 570333967 /nfs/dbraw/zinc/33/39/67/570333967.db2.gz FBNCQYGFWDEZMU-UHFFFAOYSA-N 2 1 396.579 3.366 40 0 GGABMP COc1cc2c(c(-c3c(O)c(OC)cc4c3[C@H](C)[NH+](C)CC4)c1O)C[N@@H+](C)CC2 ZINC000003847303 570351798 /nfs/dbraw/zinc/35/17/98/570351798.db2.gz FQTHIRNNFNJMJT-ZDUSSCGKSA-N 2 1 398.503 3.319 40 0 GGABMP COc1cc2c(c(-c3c(O)c(OC)cc4c3[C@H](C)[N@H+](C)CC4)c1O)C[NH+](C)CC2 ZINC000003847303 570351800 /nfs/dbraw/zinc/35/18/00/570351800.db2.gz FQTHIRNNFNJMJT-ZDUSSCGKSA-N 2 1 398.503 3.319 40 0 GGABMP COc1cc2c(c(-c3c(O)c(OC)cc4c3[C@H](C)[N@@H+](C)CC4)c1O)C[NH+](C)CC2 ZINC000003847303 570351802 /nfs/dbraw/zinc/35/18/02/570351802.db2.gz FQTHIRNNFNJMJT-ZDUSSCGKSA-N 2 1 398.503 3.319 40 0 GGABMP COc1cc2c(c(-c3c(O)c(OC)cc4c3[C@@H](C)[NH+](C)CC4)c1O)C[N@@H+](C)CC2 ZINC000003847302 570351958 /nfs/dbraw/zinc/35/19/58/570351958.db2.gz FQTHIRNNFNJMJT-CYBMUJFWSA-N 2 1 398.503 3.319 40 0 GGABMP COc1cc2c(c(-c3c(O)c(OC)cc4c3[C@@H](C)[N@H+](C)CC4)c1O)C[NH+](C)CC2 ZINC000003847302 570351962 /nfs/dbraw/zinc/35/19/62/570351962.db2.gz FQTHIRNNFNJMJT-CYBMUJFWSA-N 2 1 398.503 3.319 40 0 GGABMP COc1cc2c(c(-c3c(O)c(OC)cc4c3[C@@H](C)[N@@H+](C)CC4)c1O)C[NH+](C)CC2 ZINC000003847302 570351964 /nfs/dbraw/zinc/35/19/64/570351964.db2.gz FQTHIRNNFNJMJT-CYBMUJFWSA-N 2 1 398.503 3.319 40 0 GGABMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2nnc(CN3C[C@@H](C)C[C@H](C)C3)n2-n2cccc2)C1 ZINC000225151605 570552399 /nfs/dbraw/zinc/55/23/99/570552399.db2.gz FVESPSCPWAUTHL-LWYYNNOASA-N 2 1 384.572 3.347 40 0 GGABMP C[C@@H]1C[C@H](C)C[N@H+](Cc2nnc(CN3C[C@@H](C)C[C@H](C)C3)n2-n2cccc2)C1 ZINC000225151605 570552401 /nfs/dbraw/zinc/55/24/01/570552401.db2.gz FVESPSCPWAUTHL-LWYYNNOASA-N 2 1 384.572 3.347 40 0 GGABMP Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000225298357 570562874 /nfs/dbraw/zinc/56/28/74/570562874.db2.gz JHQFYFKMLAQWNN-UHFFFAOYSA-N 2 1 389.503 3.244 40 0 GGABMP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000038850718 570587721 /nfs/dbraw/zinc/58/77/21/570587721.db2.gz PNYPIZFLKAXIHK-HSZRJFAPSA-N 2 1 377.532 3.243 40 0 GGABMP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000038850718 570587724 /nfs/dbraw/zinc/58/77/24/570587724.db2.gz PNYPIZFLKAXIHK-HSZRJFAPSA-N 2 1 377.532 3.243 40 0 GGABMP COc1ccc(CN2C[C@@H](C[NH+]3CCOCC3)c3ccccc32)cc1C[NH+](C)C ZINC000012148205 570617625 /nfs/dbraw/zinc/61/76/25/570617625.db2.gz HDHJVHUEFMCDIA-OAQYLSRUSA-N 2 1 395.547 3.193 40 0 GGABMP Cc1ccccc1[C@H](OC[C@@H](O)C[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000058165426 570713427 /nfs/dbraw/zinc/71/34/27/570713427.db2.gz MPFAKPMSMAGBCG-LADGPHEKSA-N 2 1 382.548 3.488 40 0 GGABMP Cc1ccccc1[C@H](OC[C@@H](O)C[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000058165426 570713432 /nfs/dbraw/zinc/71/34/32/570713432.db2.gz MPFAKPMSMAGBCG-LADGPHEKSA-N 2 1 382.548 3.488 40 0 GGABMP Cc1ccccc1[C@H](OC[C@H](O)C[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000058165425 570713555 /nfs/dbraw/zinc/71/35/55/570713555.db2.gz MPFAKPMSMAGBCG-ISKFKSNPSA-N 2 1 382.548 3.488 40 0 GGABMP Cc1ccccc1[C@H](OC[C@H](O)C[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000058165425 570713557 /nfs/dbraw/zinc/71/35/57/570713557.db2.gz MPFAKPMSMAGBCG-ISKFKSNPSA-N 2 1 382.548 3.488 40 0 GGABMP c1ccc([C@@]23C[NH+](Cc4cccnc4)C[C@@H]2C[N@H+](C[C@@H]2CCOC2)CC3)cc1 ZINC000247913149 570717308 /nfs/dbraw/zinc/71/73/08/570717308.db2.gz LYRWXWTWHFHLNQ-OEMFJLHTSA-N 2 1 377.532 3.194 40 0 GGABMP c1ccc([C@@]23C[NH+](Cc4cccnc4)C[C@@H]2C[N@@H+](C[C@@H]2CCOC2)CC3)cc1 ZINC000247913149 570717310 /nfs/dbraw/zinc/71/73/10/570717310.db2.gz LYRWXWTWHFHLNQ-OEMFJLHTSA-N 2 1 377.532 3.194 40 0 GGABMP c1ccc([C@@]23C[N@H+](Cc4cccnc4)C[C@@H]2C[NH+](C[C@@H]2CCOC2)CC3)cc1 ZINC000247913149 570717311 /nfs/dbraw/zinc/71/73/11/570717311.db2.gz LYRWXWTWHFHLNQ-OEMFJLHTSA-N 2 1 377.532 3.194 40 0 GGABMP c1ccc([C@@]23C[N@@H+](Cc4cccnc4)C[C@@H]2C[NH+](C[C@@H]2CCOC2)CC3)cc1 ZINC000247913149 570717312 /nfs/dbraw/zinc/71/73/12/570717312.db2.gz LYRWXWTWHFHLNQ-OEMFJLHTSA-N 2 1 377.532 3.194 40 0 GGABMP c1csc([C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)N2CCOCC2)c1 ZINC000023257800 570997888 /nfs/dbraw/zinc/99/78/88/570997888.db2.gz INYHDSLJLLDDHF-OAQYLSRUSA-N 2 1 385.577 3.376 40 0 GGABMP Cc1cc(N2CC[NH+](Cc3ccc4ncccc4c3)CC2)cc([C@H]2CC[NH2+]C2)n1 ZINC000019739027 1399337229 /nfs/dbraw/zinc/33/72/29/1399337229.db2.gz IXIJLYAVLZVTHT-NRFANRHFSA-N 2 1 387.531 3.337 40 0 GGABMP Cc1cc(N2CC[NH+](Cc3ccc4ncccc4c3)CC2)cc([C@@H]2CC[NH2+]C2)n1 ZINC000019739026 1399337385 /nfs/dbraw/zinc/33/73/85/1399337385.db2.gz IXIJLYAVLZVTHT-OAQYLSRUSA-N 2 1 387.531 3.337 40 0 GGABMP C[N@H+]1C[C@H](C(=O)Nc2cccc(F)c2)C[C@H]1C1CC[NH+](Cc2ccccn2)CC1 ZINC000248148602 1433774666 /nfs/dbraw/zinc/77/46/66/1433774666.db2.gz SOHGOSRBINNGGA-GCJKJVERSA-N 2 1 396.510 3.392 40 0 GGABMP CC(C)(C[N@H+]1CC[C@@H](c2cc(=O)[nH]c(N3CCCC3)n2)C1)C[NH+]1CCCCC1 ZINC000012365900 221185283 /nfs/dbraw/zinc/18/52/83/221185283.db2.gz WMMKJPVPDLJFNN-GOSISDBHSA-N 2 1 387.572 3.084 40 0 GGABMP O=C(NCCC[NH+]1CCCC1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000013646029 221279129 /nfs/dbraw/zinc/27/91/29/221279129.db2.gz CHDHHBXGNORWKV-UHFFFAOYSA-N 2 1 377.532 3.461 40 0 GGABMP C[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CC[NH+](Cc1ccsc1)CC3 ZINC000096036300 222373349 /nfs/dbraw/zinc/37/33/49/222373349.db2.gz PJDFOINAVGYOQE-SIKLNZKXSA-N 2 1 387.593 3.295 40 0 GGABMP Cc1[nH+]ccn1C[C@@H]1CCCN(C(=O)CC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000019748299 570214364 /nfs/dbraw/zinc/21/43/64/570214364.db2.gz NEZVYXKXIJSOLZ-NRFANRHFSA-N 2 1 395.551 3.127 40 0 GGABMP Cc1cc(C)cc(O[C@H]2CC[N@@H+](Cc3ccc(OCC[NH3+])cc3)C[C@]2(C)O)c1 ZINC000585271713 570242083 /nfs/dbraw/zinc/24/20/83/570242083.db2.gz BRJASVZSXXSLFM-GOTSBHOMSA-N 2 1 384.520 3.045 40 0 GGABMP CC[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CC[NH+](Cc1ccco1)CC3 ZINC000097952836 570261495 /nfs/dbraw/zinc/26/14/95/570261495.db2.gz MBQQHYXDOLYIMZ-NZQKXSOJSA-N 2 1 385.552 3.216 40 0 GGABMP CC(C)NC(=O)Cn1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCC3)C2)c2ccccc21 ZINC000036741516 570569959 /nfs/dbraw/zinc/56/99/59/570569959.db2.gz GDTGKYFODZEAQG-HXUWFJFHSA-N 2 1 396.579 3.474 40 0 GGABMP COC[C@@H]1C[N@@H+](Cc2ccsc2)CC12CC[NH+](CC1CCOCC1)CC2 ZINC000247827340 570716521 /nfs/dbraw/zinc/71/65/21/570716521.db2.gz GIRXPWBXCHHWJK-FQEVSTJZSA-N 2 1 378.582 3.335 40 0 GGABMP COC[C@H]1C[N@@H+](CC2CCOCC2)CC12CC[NH+](Cc1cccs1)CC2 ZINC000585102955 570930978 /nfs/dbraw/zinc/93/09/78/570930978.db2.gz JVKKMBPIUREIHZ-LJQANCHMSA-N 2 1 378.582 3.335 40 0 GGABMP CC(C)Oc1cccc(C[N@H+]2CC[C@H](c3nn(CC[NH3+])c4ncccc34)C2)c1 ZINC000019450818 570985499 /nfs/dbraw/zinc/98/54/99/570985499.db2.gz XQVVDKBOMSTAGG-SFHVURJKSA-N 2 1 379.508 3.167 40 0 GGABMP CCc1[nH+]ccn1CC(=O)N1Cc2ccccc2OC2(CCC([NH+](C)C)CC2)C1 ZINC000019523517 570995925 /nfs/dbraw/zinc/99/59/25/570995925.db2.gz UYUYVAOSIMLHIZ-UHFFFAOYSA-N 2 1 396.535 3.110 40 0 GGABMP C[N@H+]1C[C@@H](C(=O)Nc2cccc(F)c2)C[C@@H]1C1CC[NH+](Cc2ccccn2)CC1 ZINC000019587723 571015737 /nfs/dbraw/zinc/01/57/37/571015737.db2.gz SOHGOSRBINNGGA-PGRDOPGGSA-N 2 1 396.510 3.392 40 0 GGABMP C[N@H+]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[C@@H]1C1CC[NH+](Cc2ccccn2)CC1 ZINC000019587715 571015859 /nfs/dbraw/zinc/01/58/59/571015859.db2.gz LYNQTSDWKQEHQI-PGRDOPGGSA-N 2 1 396.510 3.392 40 0 GGABMP C[N@H+]1CCc2nc([C@H]3CCC[NH+](CCCOc4ccc(F)cc4)C3)ncc2C1 ZINC000019590471 571017780 /nfs/dbraw/zinc/01/77/80/571017780.db2.gz QTNSZJACMOZVDH-KRWDZBQOSA-N 2 1 384.499 3.252 40 0 GGABMP C[NH+]1CCc2nc([C@H]3CCC[N@H+](CCCOc4ccc(F)cc4)C3)ncc2C1 ZINC000019590471 571017783 /nfs/dbraw/zinc/01/77/83/571017783.db2.gz QTNSZJACMOZVDH-KRWDZBQOSA-N 2 1 384.499 3.252 40 0 GGABMP C[NH+]1CCc2nc([C@H]3CCC[N@@H+](CCCOc4ccc(F)cc4)C3)ncc2C1 ZINC000019590471 571017786 /nfs/dbraw/zinc/01/77/86/571017786.db2.gz QTNSZJACMOZVDH-KRWDZBQOSA-N 2 1 384.499 3.252 40 0 GGABMP c1cc(C[N@@H+]2CCc3nnc([C@@H]4CCC[NH2+]4)n3CC2)cc(OC2CCCC2)c1 ZINC000019706403 1399335617 /nfs/dbraw/zinc/33/56/17/1399335617.db2.gz PSHADBSRBWNOJF-FQEVSTJZSA-N 2 1 381.524 3.082 40 0 GGABMP Cc1cc(N2CC[NH+](Cc3cn(C)c4ccccc34)CC2)cc([C@H]2CC[NH2+]C2)n1 ZINC000019739071 1399337919 /nfs/dbraw/zinc/33/79/19/1399337919.db2.gz QBASPNPMIAZINT-IBGZPJMESA-N 2 1 389.547 3.281 40 0 GGABMP