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](c1ccccc1)[N@@H+](CCCn1ccnc1)Cc1ccccc1O ZINC000179647636 1022362455 /nfs/dbraw/zinc/36/24/55/1022362455.db2.gz TZLMQSASIPRUAV-GOSISDBHSA-N 2 1 335.451 4.242 20 10 EICDMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000158186542 1026556247 /nfs/dbraw/zinc/55/62/47/1026556247.db2.gz IJMADYJRUCMWKC-RBUKOAKNSA-N 2 1 329.532 4.059 20 10 EICDMP Cc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(C)n1-c1cccc(C)c1 ZINC000915683212 1045448002 /nfs/dbraw/zinc/44/80/02/1045448002.db2.gz PDZIYIFKXAZKBO-SFTDATJTSA-N 2 1 337.511 4.119 20 10 EICDMP CCCN(CCC)c1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)cc1 ZINC000769233042 1045897513 /nfs/dbraw/zinc/89/75/13/1045897513.db2.gz QWXJHYAJLDSVHZ-UHFFFAOYSA-N 2 1 331.548 4.275 20 10 EICDMP Cc1[nH+]ccn1CCC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815561190 1048509357 /nfs/dbraw/zinc/50/93/57/1048509357.db2.gz AMLVQKDHTGFFEU-OAQYLSRUSA-N 2 1 349.478 4.251 20 10 EICDMP CCc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c1O ZINC001180030975 1050859807 /nfs/dbraw/zinc/85/98/07/1050859807.db2.gz RTOCFUXICHEURV-MSOLQXFVSA-N 2 1 330.516 4.041 20 10 EICDMP CCc1cccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1O ZINC001180030975 1050859815 /nfs/dbraw/zinc/85/98/15/1050859815.db2.gz RTOCFUXICHEURV-MSOLQXFVSA-N 2 1 330.516 4.041 20 10 EICDMP CCc1cccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1O ZINC001180030975 1050859821 /nfs/dbraw/zinc/85/98/21/1050859821.db2.gz RTOCFUXICHEURV-MSOLQXFVSA-N 2 1 330.516 4.041 20 10 EICDMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000185053314 1052380171 /nfs/dbraw/zinc/38/01/71/1052380171.db2.gz WZALVANMABCBGX-INIZCTEOSA-N 2 1 342.458 4.155 20 10 EICDMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2ccccc2c1O ZINC000853240639 1053657841 /nfs/dbraw/zinc/65/78/41/1053657841.db2.gz PTGKTYFXBASQFC-FUHWJXTLSA-N 2 1 338.495 4.318 20 10 EICDMP CCCOc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1C ZINC001200923917 1054577278 /nfs/dbraw/zinc/57/72/78/1054577278.db2.gz VVUSQIQPBYTMGO-UHFFFAOYSA-N 2 1 330.516 4.280 20 10 EICDMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000743388163 1058969989 /nfs/dbraw/zinc/96/99/89/1058969989.db2.gz NSXMOQRYDACZBX-QGZVFWFLSA-N 2 1 332.532 4.162 20 10 EICDMP Cc1cc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000746382963 1060263244 /nfs/dbraw/zinc/26/32/44/1060263244.db2.gz QELJXBZNGHAELT-GOSISDBHSA-N 2 1 344.543 4.162 20 10 EICDMP Cc1cc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000746382963 1060263266 /nfs/dbraw/zinc/26/32/66/1060263266.db2.gz QELJXBZNGHAELT-GOSISDBHSA-N 2 1 344.543 4.162 20 10 EICDMP Cc1cc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000746382963 1060263293 /nfs/dbraw/zinc/26/32/93/1060263293.db2.gz QELJXBZNGHAELT-GOSISDBHSA-N 2 1 344.543 4.162 20 10 EICDMP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311038624 1022825479 /nfs/dbraw/zinc/82/54/79/1022825479.db2.gz DSSMFDLBNLQJJP-RYRKJORJSA-N 2 1 342.458 4.093 20 10 EICDMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1O ZINC000311222991 1023005855 /nfs/dbraw/zinc/00/58/55/1023005855.db2.gz VSSLZPKTRBHDSV-AEFFLSMTSA-N 2 1 342.458 4.094 20 10 EICDMP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(F)cc1O ZINC000796684461 1023895069 /nfs/dbraw/zinc/89/50/69/1023895069.db2.gz UZTHGPIQQBKZFV-FQEVSTJZSA-N 2 1 342.458 4.368 20 10 EICDMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001167825982 1025616951 /nfs/dbraw/zinc/61/69/51/1025616951.db2.gz LYAIXVVZGLUWOU-IBGZPJMESA-N 2 1 331.548 4.229 20 10 EICDMP C[N@@H+](Cc1cc2oc3ccccc3c2cc1O)CC1CC[NH+](C)CC1 ZINC000728906961 1026611022 /nfs/dbraw/zinc/61/10/22/1026611022.db2.gz OIMBRDQITVLTHA-UHFFFAOYSA-N 2 1 338.451 4.065 20 10 EICDMP C[N@H+](Cc1cc2oc3ccccc3c2cc1O)CC1CC[NH+](C)CC1 ZINC000728906961 1026611031 /nfs/dbraw/zinc/61/10/31/1026611031.db2.gz OIMBRDQITVLTHA-UHFFFAOYSA-N 2 1 338.451 4.065 20 10 EICDMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccccc1O ZINC000183529990 1030011802 /nfs/dbraw/zinc/01/18/02/1030011802.db2.gz IGKXQFPAQINUBS-DOXZYTNZSA-N 2 1 330.497 4.187 20 10 EICDMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccccc1O ZINC000183529990 1030011822 /nfs/dbraw/zinc/01/18/22/1030011822.db2.gz IGKXQFPAQINUBS-DOXZYTNZSA-N 2 1 330.497 4.187 20 10 EICDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N3CCCCC3)c(C)c2)[C@@H](C)C1 ZINC001167686136 1030995863 /nfs/dbraw/zinc/99/58/63/1030995863.db2.gz NUIJLGBUICNMJA-PZJWPPBQSA-N 2 1 343.559 4.147 20 10 EICDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)[C@@H](C)C1 ZINC001167686136 1030995886 /nfs/dbraw/zinc/99/58/86/1030995886.db2.gz NUIJLGBUICNMJA-PZJWPPBQSA-N 2 1 343.559 4.147 20 10 EICDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)[C@@H](C)C1 ZINC001167686136 1030995918 /nfs/dbraw/zinc/99/59/18/1030995918.db2.gz NUIJLGBUICNMJA-PZJWPPBQSA-N 2 1 343.559 4.147 20 10 EICDMP Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1O ZINC001168031170 1044812685 /nfs/dbraw/zinc/81/26/85/1044812685.db2.gz YAWIAGUTFPNEBL-RMFSNUHRSA-N 2 1 338.495 4.232 20 10 EICDMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000766165091 1045003547 /nfs/dbraw/zinc/00/35/47/1045003547.db2.gz CKWQLXHBBDBKEW-WSTZPKSXSA-N 2 1 329.532 4.200 20 10 EICDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000766165091 1045003549 /nfs/dbraw/zinc/00/35/49/1045003549.db2.gz CKWQLXHBBDBKEW-WSTZPKSXSA-N 2 1 329.532 4.200 20 10 EICDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(-c3ccccc3)ccc2O)[C@H](C)C1 ZINC000769482760 1045970123 /nfs/dbraw/zinc/97/01/23/1045970123.db2.gz DYWYWNIQRSLXSU-DYESRHJHSA-N 2 1 338.495 4.221 20 10 EICDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(-c3ccccc3)ccc2O)[C@H](C)C1 ZINC000769482760 1045970131 /nfs/dbraw/zinc/97/01/31/1045970131.db2.gz DYWYWNIQRSLXSU-DYESRHJHSA-N 2 1 338.495 4.221 20 10 EICDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccccc3)ccc2O)[C@H](C)C1 ZINC000769482760 1045970112 /nfs/dbraw/zinc/97/01/12/1045970112.db2.gz DYWYWNIQRSLXSU-DYESRHJHSA-N 2 1 338.495 4.221 20 10 EICDMP Cc1cc(O)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1C(C)C ZINC000772828681 1046163145 /nfs/dbraw/zinc/16/31/45/1046163145.db2.gz PFAGSLWRNNNNGB-DYESRHJHSA-N 2 1 342.527 4.273 20 10 EICDMP Cc1cc(O)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C(C)C ZINC000772828681 1046163151 /nfs/dbraw/zinc/16/31/51/1046163151.db2.gz PFAGSLWRNNNNGB-DYESRHJHSA-N 2 1 342.527 4.273 20 10 EICDMP Cc1cc(O)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1C(C)C ZINC000772828681 1046163158 /nfs/dbraw/zinc/16/31/58/1046163158.db2.gz PFAGSLWRNNNNGB-DYESRHJHSA-N 2 1 342.527 4.273 20 10 EICDMP COc1cccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)c1O ZINC000846141492 1048830698 /nfs/dbraw/zinc/83/06/98/1048830698.db2.gz KFAAMTHNZYXZSI-INIZCTEOSA-N 2 1 342.483 4.092 20 10 EICDMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccccc1O ZINC001171975666 1049837732 /nfs/dbraw/zinc/83/77/32/1049837732.db2.gz NPJNSUDQKJFVNZ-MJGOQNOKSA-N 2 1 338.495 4.486 20 10 EICDMP CCCC[N@@H+](C)CC1CC[NH+](C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC001180124656 1050892786 /nfs/dbraw/zinc/89/27/86/1050892786.db2.gz KBYYQPIMFUIKBK-FPLPWBNLSA-N 2 1 343.559 4.210 20 10 EICDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])C1 ZINC000774160787 1051488958 /nfs/dbraw/zinc/48/89/58/1051488958.db2.gz BDMWMNYXOOHWDL-STQMWFEESA-N 2 1 345.314 4.470 20 10 EICDMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000765144176 1053453286 /nfs/dbraw/zinc/45/32/86/1053453286.db2.gz VWTZFHDPAPBICK-GOSISDBHSA-N 2 1 340.515 4.313 20 10 EICDMP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000794839051 1053514384 /nfs/dbraw/zinc/51/43/84/1053514384.db2.gz YHXOIAOSQGPFLH-HOHBBMLPSA-N 2 1 341.543 4.344 20 10 EICDMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2ccccc2c1O ZINC000853240641 1053657594 /nfs/dbraw/zinc/65/75/94/1053657594.db2.gz PTGKTYFXBASQFC-WMZOPIPTSA-N 2 1 338.495 4.318 20 10 EICDMP Cc1ccc(O)c([C@@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000379616839 1059607721 /nfs/dbraw/zinc/60/77/21/1059607721.db2.gz CZNJSIYIEVTEOP-ZWKOTPCHSA-N 2 1 326.484 4.262 20 10 EICDMP Cc1ccc([C@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)c(O)c1 ZINC000379627296 1059648745 /nfs/dbraw/zinc/64/87/45/1059648745.db2.gz HUAXTOVWLJUSJH-MSOLQXFVSA-N 2 1 326.484 4.262 20 10 EICDMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000310963871 1022743318 /nfs/dbraw/zinc/74/33/18/1022743318.db2.gz BJISQJOQIZGYLG-UYAOXDASSA-N 2 1 338.495 4.345 20 10 EICDMP C[C@@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000310992629 1023498064 /nfs/dbraw/zinc/49/80/64/1023498064.db2.gz IAMQMNPBVICZFM-IERDGZPVSA-N 2 1 342.458 4.094 20 10 EICDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N3CCCCC3)c(C)c2)[C@H](C)C1 ZINC001167686137 1030998443 /nfs/dbraw/zinc/99/84/43/1030998443.db2.gz NUIJLGBUICNMJA-TZIWHRDSSA-N 2 1 343.559 4.147 20 10 EICDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)[C@H](C)C1 ZINC001167686137 1030998463 /nfs/dbraw/zinc/99/84/63/1030998463.db2.gz NUIJLGBUICNMJA-TZIWHRDSSA-N 2 1 343.559 4.147 20 10 EICDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)[C@H](C)C1 ZINC001167686137 1030998477 /nfs/dbraw/zinc/99/84/77/1030998477.db2.gz NUIJLGBUICNMJA-TZIWHRDSSA-N 2 1 343.559 4.147 20 10 EICDMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000324057971 1041819257 /nfs/dbraw/zinc/81/92/57/1041819257.db2.gz WDJGBBAVDOLAJW-IBGZPJMESA-N 2 1 329.532 4.031 20 10 EICDMP CCCN(CCC)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000727644356 1043255391 /nfs/dbraw/zinc/25/53/91/1043255391.db2.gz BNCAKIOERRKCTC-NHCUHLMSSA-N 2 1 329.532 4.029 20 10 EICDMP CCCN(CCC)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000727644356 1043255400 /nfs/dbraw/zinc/25/54/00/1043255400.db2.gz BNCAKIOERRKCTC-NHCUHLMSSA-N 2 1 329.532 4.029 20 10 EICDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000733325572 1044188924 /nfs/dbraw/zinc/18/89/24/1044188924.db2.gz KGRPDYDDWJSXMS-UHFFFAOYSA-N 2 1 332.875 4.176 20 10 EICDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000733325739 1044189053 /nfs/dbraw/zinc/18/90/53/1044189053.db2.gz RDTHCRRFHNSCDR-UHFFFAOYSA-N 2 1 343.490 4.022 20 10 EICDMP Cc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)n1-c1cccc(C)c1 ZINC000915683209 1045448121 /nfs/dbraw/zinc/44/81/21/1045448121.db2.gz PDZIYIFKXAZKBO-LEWJYISDSA-N 2 1 337.511 4.119 20 10 EICDMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cc(Cl)ccc2O)C1 ZINC000769147174 1045879973 /nfs/dbraw/zinc/87/99/73/1045879973.db2.gz BSSXLLWHQBXTEW-CVEARBPZSA-N 2 1 336.907 4.132 20 10 EICDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000769147174 1045879987 /nfs/dbraw/zinc/87/99/87/1045879987.db2.gz BSSXLLWHQBXTEW-CVEARBPZSA-N 2 1 336.907 4.132 20 10 EICDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cc(Cl)ccc2O)C1 ZINC000769147174 1045879981 /nfs/dbraw/zinc/87/99/81/1045879981.db2.gz BSSXLLWHQBXTEW-CVEARBPZSA-N 2 1 336.907 4.132 20 10 EICDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000769147174 1045879992 /nfs/dbraw/zinc/87/99/92/1045879992.db2.gz BSSXLLWHQBXTEW-CVEARBPZSA-N 2 1 336.907 4.132 20 10 EICDMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cc(Cl)ccc2O)C1 ZINC000769147183 1045880123 /nfs/dbraw/zinc/88/01/23/1045880123.db2.gz BSSXLLWHQBXTEW-JKSUJKDBSA-N 2 1 336.907 4.132 20 10 EICDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000769147183 1045880131 /nfs/dbraw/zinc/88/01/31/1045880131.db2.gz BSSXLLWHQBXTEW-JKSUJKDBSA-N 2 1 336.907 4.132 20 10 EICDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cc(Cl)ccc2O)C1 ZINC000769147183 1045880127 /nfs/dbraw/zinc/88/01/27/1045880127.db2.gz BSSXLLWHQBXTEW-JKSUJKDBSA-N 2 1 336.907 4.132 20 10 EICDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000769147183 1045880129 /nfs/dbraw/zinc/88/01/29/1045880129.db2.gz BSSXLLWHQBXTEW-JKSUJKDBSA-N 2 1 336.907 4.132 20 10 EICDMP Oc1c(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc2ccccc21 ZINC000816594426 1048833158 /nfs/dbraw/zinc/83/31/58/1048833158.db2.gz CTLYIHSHUBKNNI-IBGZPJMESA-N 2 1 346.474 4.157 20 10 EICDMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)c1ccc(N(C)C)cc1 ZINC000773074653 1049564955 /nfs/dbraw/zinc/56/49/55/1049564955.db2.gz GYQNUYMWLKFRTM-GHTZIAJQSA-N 2 1 331.548 4.161 20 10 EICDMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2O)cc1 ZINC000324812223 1049804605 /nfs/dbraw/zinc/80/46/05/1049804605.db2.gz SUVPCVOCQXKTRD-HNNXBMFYSA-N 2 1 330.447 4.224 20 10 EICDMP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2O)cc1 ZINC000324812424 1049805151 /nfs/dbraw/zinc/80/51/51/1049805151.db2.gz SUVPCVOCQXKTRD-OAHLLOKOSA-N 2 1 330.447 4.224 20 10 EICDMP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)CC1 ZINC000774165698 1051490641 /nfs/dbraw/zinc/49/06/41/1051490641.db2.gz RKXPQCYMJURQQN-NSHDSACASA-N 2 1 331.287 4.082 20 10 EICDMP Cc1ccc(O)c([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000185053164 1052379890 /nfs/dbraw/zinc/37/98/90/1052379890.db2.gz XXPGYWOTVBSWER-SFHVURJKSA-N 2 1 338.495 4.324 20 10 EICDMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cc(F)ccc1O ZINC000185245886 1052549658 /nfs/dbraw/zinc/54/96/58/1052549658.db2.gz TWAJGBFQALPOCR-HUUCEWRRSA-N 2 1 348.487 4.156 20 10 EICDMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc(F)ccc1O ZINC000185245886 1052549663 /nfs/dbraw/zinc/54/96/63/1052549663.db2.gz TWAJGBFQALPOCR-HUUCEWRRSA-N 2 1 348.487 4.156 20 10 EICDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000185546554 1052635047 /nfs/dbraw/zinc/63/50/47/1052635047.db2.gz KGPHZTMYYJQCJB-YRNRMSPPSA-N 2 1 344.524 4.496 20 10 EICDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000185546554 1052635048 /nfs/dbraw/zinc/63/50/48/1052635048.db2.gz KGPHZTMYYJQCJB-YRNRMSPPSA-N 2 1 344.524 4.496 20 10 EICDMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(O)c1 ZINC000185658757 1052665957 /nfs/dbraw/zinc/66/59/57/1052665957.db2.gz OMMRERIDZPWGKA-HBFSDRIKSA-N 2 1 338.495 4.404 20 10 EICDMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(O)c1 ZINC000185658757 1052665958 /nfs/dbraw/zinc/66/59/58/1052665958.db2.gz OMMRERIDZPWGKA-HBFSDRIKSA-N 2 1 338.495 4.404 20 10 EICDMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cc(F)ccc1O ZINC000185658781 1052666032 /nfs/dbraw/zinc/66/60/32/1052666032.db2.gz HUFIPQAXUWCIJO-JTDSTZFVSA-N 2 1 342.458 4.235 20 10 EICDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cc(F)ccc1O ZINC000185658781 1052666036 /nfs/dbraw/zinc/66/60/36/1052666036.db2.gz HUFIPQAXUWCIJO-JTDSTZFVSA-N 2 1 342.458 4.235 20 10 EICDMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(N2CCCCCC2)cc1 ZINC000764967898 1053403141 /nfs/dbraw/zinc/40/31/41/1053403141.db2.gz YXCRQTJVCARWFX-NYVOZVTQSA-N 2 1 341.543 4.344 20 10 EICDMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(N2CCCCCC2)cc1 ZINC000764967898 1053403151 /nfs/dbraw/zinc/40/31/51/1053403151.db2.gz YXCRQTJVCARWFX-NYVOZVTQSA-N 2 1 341.543 4.344 20 10 EICDMP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(C)cc1O ZINC000794819310 1053434101 /nfs/dbraw/zinc/43/41/01/1053434101.db2.gz UQHLJOPMNHZVLW-QKLQHJQFSA-N 2 1 330.516 4.394 20 10 EICDMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(C)cc1O ZINC000842922767 1053684473 /nfs/dbraw/zinc/68/44/73/1053684473.db2.gz DALZXBUCDOKJBM-GIVPXCGWSA-N 2 1 338.495 4.087 20 10 EICDMP CC[N@H+](Cc1cccc(C)c1O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000775727507 1053697180 /nfs/dbraw/zinc/69/71/80/1053697180.db2.gz DZWQOPSOLIXWCU-HXUWFJFHSA-N 2 1 338.495 4.045 20 10 EICDMP CC[NH+](Cc1cccc(C)c1O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000775727507 1053697187 /nfs/dbraw/zinc/69/71/87/1053697187.db2.gz DZWQOPSOLIXWCU-HXUWFJFHSA-N 2 1 338.495 4.045 20 10 EICDMP CC[NH+](Cc1cccc(C)c1O)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775727507 1053697190 /nfs/dbraw/zinc/69/71/90/1053697190.db2.gz DZWQOPSOLIXWCU-HXUWFJFHSA-N 2 1 338.495 4.045 20 10 EICDMP C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001201946484 1054962052 /nfs/dbraw/zinc/96/20/52/1054962052.db2.gz FESZYIKSGKQCQJ-QUCCMNQESA-N 2 1 341.543 4.029 20 10 EICDMP Cc1cccc(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1O ZINC000776251836 1055057974 /nfs/dbraw/zinc/05/79/74/1055057974.db2.gz DLHXMIFIXDHADO-ICSRJNTNSA-N 2 1 338.495 4.091 20 10 EICDMP Cc1c2ccccc2n(C)c1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000387870279 1022839067 /nfs/dbraw/zinc/83/90/67/1022839067.db2.gz QTAVCEZNGBNNNH-UHFFFAOYSA-N 2 1 347.506 4.241 20 10 EICDMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)c(O)c1 ZINC000363859308 1022861692 /nfs/dbraw/zinc/86/16/92/1022861692.db2.gz FKKHRLIQFXSOSJ-KHYOSLBOSA-N 2 1 330.497 4.106 20 10 EICDMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2cccs2)c(O)c1 ZINC000363859308 1022861696 /nfs/dbraw/zinc/86/16/96/1022861696.db2.gz FKKHRLIQFXSOSJ-KHYOSLBOSA-N 2 1 330.497 4.106 20 10 EICDMP C[C@@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000310992631 1023498413 /nfs/dbraw/zinc/49/84/13/1023498413.db2.gz IAMQMNPBVICZFM-IIBYNOLFSA-N 2 1 342.458 4.094 20 10 EICDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cc(F)ccc2O)cc1F ZINC000185135003 1030117271 /nfs/dbraw/zinc/11/72/71/1030117271.db2.gz ZCZUXGDQLPKVGQ-GFCCVEGCSA-N 2 1 343.377 4.015 20 10 EICDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N3CCCCC3)c(C)c2)[C@H](C)C1 ZINC001167686134 1030999284 /nfs/dbraw/zinc/99/92/84/1030999284.db2.gz NUIJLGBUICNMJA-CTNGQTDRSA-N 2 1 343.559 4.147 20 10 EICDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)[C@H](C)C1 ZINC001167686134 1030999305 /nfs/dbraw/zinc/99/93/05/1030999305.db2.gz NUIJLGBUICNMJA-CTNGQTDRSA-N 2 1 343.559 4.147 20 10 EICDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)[C@H](C)C1 ZINC001167686134 1030999325 /nfs/dbraw/zinc/99/93/25/1030999325.db2.gz NUIJLGBUICNMJA-CTNGQTDRSA-N 2 1 343.559 4.147 20 10 EICDMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(N(C)C)cc2)CC1)CC1CC1 ZINC001168425136 1038864513 /nfs/dbraw/zinc/86/45/13/1038864513.db2.gz ZRMYVSSEXSGQEE-UHFFFAOYSA-N 2 1 343.559 4.087 20 10 EICDMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000766165089 1045004909 /nfs/dbraw/zinc/00/49/09/1045004909.db2.gz CKWQLXHBBDBKEW-HBFSDRIKSA-N 2 1 329.532 4.200 20 10 EICDMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000766165089 1045004923 /nfs/dbraw/zinc/00/49/23/1045004923.db2.gz CKWQLXHBBDBKEW-HBFSDRIKSA-N 2 1 329.532 4.200 20 10 EICDMP CCCN(CCC)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000824989040 1048016034 /nfs/dbraw/zinc/01/60/34/1048016034.db2.gz YKOSDSNZMHTKRY-VCSGRIEYSA-N 2 1 329.532 4.028 20 10 EICDMP Cc1cc(C)c([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(O)c1 ZINC000815553327 1048505528 /nfs/dbraw/zinc/50/55/28/1048505528.db2.gz XRJNZONRRAAWBV-SFHVURJKSA-N 2 1 338.495 4.324 20 10 EICDMP CC1CCN(c2ccc(C[NH2+][C@@H]3C[C@@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000817901324 1049055688 /nfs/dbraw/zinc/05/56/88/1049055688.db2.gz BTHIOVYBVFMYIE-FGZHOGPDSA-N 2 1 335.495 4.157 20 10 EICDMP Oc1ccccc1C[NH+]1CCC([NH2+]C2CCC3(CCCC3)CC2)CC1 ZINC001172727071 1049966797 /nfs/dbraw/zinc/96/67/97/1049966797.db2.gz GRKQCLQTYVIANZ-UHFFFAOYSA-N 2 1 342.527 4.449 20 10 EICDMP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CCCCC1 ZINC001177581833 1050257158 /nfs/dbraw/zinc/25/71/58/1050257158.db2.gz PEDLSOCMMBDIKV-FQEVSTJZSA-N 2 1 347.522 4.026 20 10 EICDMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccccc1O ZINC000183418604 1051116344 /nfs/dbraw/zinc/11/63/44/1051116344.db2.gz GEBHYSDCBKLJKL-ROUUACIJSA-N 2 1 338.495 4.475 20 10 EICDMP Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)c1 ZINC000185192169 1052516716 /nfs/dbraw/zinc/51/67/16/1052516716.db2.gz IDFSNPNXKLRXNF-KRWDZBQOSA-N 2 1 326.484 4.392 20 10 EICDMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cc(F)ccc1O ZINC000185245847 1052549505 /nfs/dbraw/zinc/54/95/05/1052549505.db2.gz TWAJGBFQALPOCR-CABCVRRESA-N 2 1 348.487 4.156 20 10 EICDMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc(F)ccc1O ZINC000185245847 1052549512 /nfs/dbraw/zinc/54/95/12/1052549512.db2.gz TWAJGBFQALPOCR-CABCVRRESA-N 2 1 348.487 4.156 20 10 EICDMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000185469832 1052611029 /nfs/dbraw/zinc/61/10/29/1052611029.db2.gz LWFQRFOSBXSWAG-JKSUJKDBSA-N 2 1 342.458 4.408 20 10 EICDMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000119704232 1053091994 /nfs/dbraw/zinc/09/19/94/1053091994.db2.gz PASOSEHKCTZXAP-GOSISDBHSA-N 2 1 341.543 4.344 20 10 EICDMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(O)c1C ZINC000794829128 1053439593 /nfs/dbraw/zinc/43/95/93/1053439593.db2.gz STQUVLSVKQMRIY-AZUAARDMSA-N 2 1 338.495 4.182 20 10 EICDMP Cc1cc(O)c(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(Cl)c1 ZINC001200863823 1054558322 /nfs/dbraw/zinc/55/83/22/1054558322.db2.gz LJKUTNTYPZJIBH-UHFFFAOYSA-N 2 1 336.907 4.241 20 10 EICDMP Cc1cccc(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1O ZINC000776251837 1055059474 /nfs/dbraw/zinc/05/94/74/1055059474.db2.gz DLHXMIFIXDHADO-QUCCMNQESA-N 2 1 338.495 4.091 20 10 EICDMP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccccc1O ZINC000877758386 1055117436 /nfs/dbraw/zinc/11/74/36/1055117436.db2.gz XLQYOWFZQOVCRA-CDXJDZJCSA-N 2 1 336.479 4.411 20 10 EICDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccccc1O ZINC000877758386 1055117439 /nfs/dbraw/zinc/11/74/39/1055117439.db2.gz XLQYOWFZQOVCRA-CDXJDZJCSA-N 2 1 336.479 4.411 20 10 EICDMP Cc1ccc(O)c([C@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000379616835 1059609723 /nfs/dbraw/zinc/60/97/23/1059609723.db2.gz CZNJSIYIEVTEOP-MSOLQXFVSA-N 2 1 326.484 4.262 20 10 EICDMP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000310890155 1022581486 /nfs/dbraw/zinc/58/14/86/1022581486.db2.gz KHWGFWWBROGWSV-GCJKJVERSA-N 2 1 338.495 4.263 20 10 EICDMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000310963862 1022743534 /nfs/dbraw/zinc/74/35/34/1022743534.db2.gz BJISQJOQIZGYLG-ICSRJNTNSA-N 2 1 338.495 4.345 20 10 EICDMP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1O ZINC000248555346 1023074220 /nfs/dbraw/zinc/07/42/20/1023074220.db2.gz KIOXDJLLUSVEFG-CUWPLCDZSA-N 2 1 338.495 4.486 20 10 EICDMP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1O ZINC000248555346 1023074224 /nfs/dbraw/zinc/07/42/24/1023074224.db2.gz KIOXDJLLUSVEFG-CUWPLCDZSA-N 2 1 338.495 4.486 20 10 EICDMP Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(O)c1 ZINC000311073411 1023544975 /nfs/dbraw/zinc/54/49/75/1023544975.db2.gz KNNOACVXAZUYKK-BJLQDIEVSA-N 2 1 338.495 4.262 20 10 EICDMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCCCCC3)cc2)C1 ZINC000163281469 1029986528 /nfs/dbraw/zinc/98/65/28/1029986528.db2.gz PYDNASLGUYXKOY-OALUTQOASA-N 2 1 329.532 4.059 20 10 EICDMP Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551175218 1040023165 /nfs/dbraw/zinc/02/31/65/1040023165.db2.gz IMICQACOYZXJSM-UGKGYDQZSA-N 2 1 347.506 4.412 20 10 EICDMP Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551175218 1040023183 /nfs/dbraw/zinc/02/31/83/1040023183.db2.gz IMICQACOYZXJSM-UGKGYDQZSA-N 2 1 347.506 4.412 20 10 EICDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000738066798 1045033835 /nfs/dbraw/zinc/03/38/35/1045033835.db2.gz FPFUKXSRLIEBAI-UHFFFAOYSA-N 2 1 340.511 4.489 20 10 EICDMP CCc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000739876967 1045169046 /nfs/dbraw/zinc/16/90/46/1045169046.db2.gz WZMZXTXEJBKYOV-SFHVURJKSA-N 2 1 344.543 4.170 20 10 EICDMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cc(Cl)ccc2O)C1 ZINC000769147177 1045880458 /nfs/dbraw/zinc/88/04/58/1045880458.db2.gz BSSXLLWHQBXTEW-HOTGVXAUSA-N 2 1 336.907 4.132 20 10 EICDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000769147177 1045880467 /nfs/dbraw/zinc/88/04/67/1045880467.db2.gz BSSXLLWHQBXTEW-HOTGVXAUSA-N 2 1 336.907 4.132 20 10 EICDMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cc(Cl)ccc2O)C1 ZINC000769147177 1045880451 /nfs/dbraw/zinc/88/04/51/1045880451.db2.gz BSSXLLWHQBXTEW-HOTGVXAUSA-N 2 1 336.907 4.132 20 10 EICDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000769147177 1045880464 /nfs/dbraw/zinc/88/04/64/1045880464.db2.gz BSSXLLWHQBXTEW-HOTGVXAUSA-N 2 1 336.907 4.132 20 10 EICDMP Cc1cc(O)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1C(C)C ZINC000772828683 1046162999 /nfs/dbraw/zinc/16/29/99/1046162999.db2.gz PFAGSLWRNNNNGB-LAUBAEHRSA-N 2 1 342.527 4.273 20 10 EICDMP Cc1cc(O)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1C(C)C ZINC000772828683 1046163005 /nfs/dbraw/zinc/16/30/05/1046163005.db2.gz PFAGSLWRNNNNGB-LAUBAEHRSA-N 2 1 342.527 4.273 20 10 EICDMP Cc1cc(O)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1C(C)C ZINC000772828683 1046163010 /nfs/dbraw/zinc/16/30/10/1046163010.db2.gz PFAGSLWRNNNNGB-LAUBAEHRSA-N 2 1 342.527 4.273 20 10 EICDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CC)c2ccc(C(F)(F)F)cc2O)C1 ZINC000810212445 1048682393 /nfs/dbraw/zinc/68/23/93/1048682393.db2.gz BCUAUCKZNUHZJU-CJNGLKHVSA-N 2 1 344.421 4.184 20 10 EICDMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816534980 1048825278 /nfs/dbraw/zinc/82/52/78/1048825278.db2.gz BCTCLGYIFSTHPX-KRWDZBQOSA-N 2 1 326.484 4.290 20 10 EICDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816534981 1048826243 /nfs/dbraw/zinc/82/62/43/1048826243.db2.gz BCTCLGYIFSTHPX-QGZVFWFLSA-N 2 1 326.484 4.290 20 10 EICDMP COc1cccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)c1O ZINC000846139910 1048830101 /nfs/dbraw/zinc/83/01/01/1048830101.db2.gz WPGQPVUFPZVTOR-INIZCTEOSA-N 2 1 342.483 4.092 20 10 EICDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccccc1O ZINC001171983389 1049838694 /nfs/dbraw/zinc/83/86/94/1049838694.db2.gz NPJNSUDQKJFVNZ-PKOBYXMFSA-N 2 1 338.495 4.486 20 10 EICDMP CC[NH+](CC)C1CCC([N@@H+](CC)Cc2ccc(N(C)C)cc2)CC1 ZINC001173113884 1050311114 /nfs/dbraw/zinc/31/11/14/1050311114.db2.gz NUZQTVRWXQWPDD-UHFFFAOYSA-N 2 1 331.548 4.228 20 10 EICDMP CCN(C)c1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000773809303 1050659748 /nfs/dbraw/zinc/65/97/48/1050659748.db2.gz AXGOAUQVZLRUCO-QGZVFWFLSA-N 2 1 348.494 4.488 20 10 EICDMP CCc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c1O ZINC001180030982 1050859589 /nfs/dbraw/zinc/85/95/89/1050859589.db2.gz RTOCFUXICHEURV-QZTJIDSGSA-N 2 1 330.516 4.041 20 10 EICDMP CCc1cccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1O ZINC001180030982 1050859593 /nfs/dbraw/zinc/85/95/93/1050859593.db2.gz RTOCFUXICHEURV-QZTJIDSGSA-N 2 1 330.516 4.041 20 10 EICDMP CCc1cccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1O ZINC001180030982 1050859599 /nfs/dbraw/zinc/85/95/99/1050859599.db2.gz RTOCFUXICHEURV-QZTJIDSGSA-N 2 1 330.516 4.041 20 10 EICDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(N(C)C)cc1 ZINC000183187028 1051015592 /nfs/dbraw/zinc/01/55/92/1051015592.db2.gz IEMXTAZIBGKHOU-JENIJYKNSA-N 2 1 329.532 4.056 20 10 EICDMP CC[N@H+](CCC1CC[NH+](Cc2cccc(F)c2O)CC1)CC(C)C ZINC001181515039 1051238237 /nfs/dbraw/zinc/23/82/37/1051238237.db2.gz QCKIGZXDEDXKQO-UHFFFAOYSA-N 2 1 336.495 4.111 20 10 EICDMP CC[N@@H+](CCC1CC[NH+](Cc2cccc(F)c2O)CC1)CC(C)C ZINC001181515039 1051238250 /nfs/dbraw/zinc/23/82/50/1051238250.db2.gz QCKIGZXDEDXKQO-UHFFFAOYSA-N 2 1 336.495 4.111 20 10 EICDMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(Cl)ccc1O ZINC000794827580 1053439718 /nfs/dbraw/zinc/43/97/18/1053439718.db2.gz KXMJLTBMFQSIDQ-WBVHZDCISA-N 2 1 344.886 4.218 20 10 EICDMP CC[N@H+](Cc1cccc(C)c1O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000775727506 1053696742 /nfs/dbraw/zinc/69/67/42/1053696742.db2.gz DZWQOPSOLIXWCU-FQEVSTJZSA-N 2 1 338.495 4.045 20 10 EICDMP CC[NH+](Cc1cccc(C)c1O)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000775727506 1053696748 /nfs/dbraw/zinc/69/67/48/1053696748.db2.gz DZWQOPSOLIXWCU-FQEVSTJZSA-N 2 1 338.495 4.045 20 10 EICDMP CC[NH+](Cc1cccc(C)c1O)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775727506 1053696752 /nfs/dbraw/zinc/69/67/52/1053696752.db2.gz DZWQOPSOLIXWCU-FQEVSTJZSA-N 2 1 338.495 4.045 20 10 EICDMP Cc1cc(O)c(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(Cl)c1 ZINC001199320980 1054392830 /nfs/dbraw/zinc/39/28/30/1054392830.db2.gz SLCNHSFOWGKFEQ-IYBDPMFKSA-N 2 1 338.923 4.202 20 10 EICDMP C[C@H](c1ccccc1)[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1O ZINC000776002537 1054437604 /nfs/dbraw/zinc/43/76/04/1054437604.db2.gz FDLVKUNDHUMBEE-NQIIRXRSSA-N 2 1 338.495 4.440 20 10 EICDMP C[C@H](c1ccccc1)[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1O ZINC000776002537 1054437606 /nfs/dbraw/zinc/43/76/06/1054437606.db2.gz FDLVKUNDHUMBEE-NQIIRXRSSA-N 2 1 338.495 4.440 20 10 EICDMP C[C@H](c1ccccc1)[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1O ZINC000776002537 1054437612 /nfs/dbraw/zinc/43/76/12/1054437612.db2.gz FDLVKUNDHUMBEE-NQIIRXRSSA-N 2 1 338.495 4.440 20 10 EICDMP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccccc1O ZINC000877757872 1055114933 /nfs/dbraw/zinc/11/49/33/1055114933.db2.gz XLQYOWFZQOVCRA-MMOPVJDHSA-N 2 1 336.479 4.411 20 10 EICDMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccccc1O ZINC000877757872 1055114938 /nfs/dbraw/zinc/11/49/38/1055114938.db2.gz XLQYOWFZQOVCRA-MMOPVJDHSA-N 2 1 336.479 4.411 20 10 EICDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000743399493 1058979635 /nfs/dbraw/zinc/97/96/35/1058979635.db2.gz MVQKFDJOEXUNSX-HNNXBMFYSA-N 2 1 338.451 4.065 20 10 EICDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000743399493 1058979656 /nfs/dbraw/zinc/97/96/56/1058979656.db2.gz MVQKFDJOEXUNSX-HNNXBMFYSA-N 2 1 338.451 4.065 20 10 EICDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000743399493 1058979675 /nfs/dbraw/zinc/97/96/75/1058979675.db2.gz MVQKFDJOEXUNSX-HNNXBMFYSA-N 2 1 338.451 4.065 20 10 EICDMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000310963857 1022743674 /nfs/dbraw/zinc/74/36/74/1022743674.db2.gz BJISQJOQIZGYLG-AZUAARDMSA-N 2 1 338.495 4.345 20 10 EICDMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2cccs2)c(O)c1 ZINC000363859310 1022862170 /nfs/dbraw/zinc/86/21/70/1022862170.db2.gz FKKHRLIQFXSOSJ-QMTMVMCOSA-N 2 1 330.497 4.106 20 10 EICDMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2cccs2)c(O)c1 ZINC000363859310 1022862177 /nfs/dbraw/zinc/86/21/77/1022862177.db2.gz FKKHRLIQFXSOSJ-QMTMVMCOSA-N 2 1 330.497 4.106 20 10 EICDMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccs1)c1ccccc1O ZINC000364364917 1023681681 /nfs/dbraw/zinc/68/16/81/1023681681.db2.gz ZKOUGUVHRKVHOG-URLQWDBASA-N 2 1 330.497 4.187 20 10 EICDMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1)c1ccccc1O ZINC000364364917 1023681691 /nfs/dbraw/zinc/68/16/91/1023681691.db2.gz ZKOUGUVHRKVHOG-URLQWDBASA-N 2 1 330.497 4.187 20 10 EICDMP CCCN(CCC)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000727644357 1043254347 /nfs/dbraw/zinc/25/43/47/1043254347.db2.gz BNCAKIOERRKCTC-RTWAWAEBSA-N 2 1 329.532 4.029 20 10 EICDMP CCCN(CCC)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000727644357 1043254355 /nfs/dbraw/zinc/25/43/55/1043254355.db2.gz BNCAKIOERRKCTC-RTWAWAEBSA-N 2 1 329.532 4.029 20 10 EICDMP CCN(CC)c1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000727643783 1043254862 /nfs/dbraw/zinc/25/48/62/1043254862.db2.gz KXESUVPNEVHCAO-LJQANCHMSA-N 2 1 331.548 4.135 20 10 EICDMP Cc1cc(O)c(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1C ZINC000738107822 1045042186 /nfs/dbraw/zinc/04/21/86/1045042186.db2.gz OQKFPQSDIKYFEG-MOPGFXCFSA-N 2 1 330.516 4.095 20 10 EICDMP Cc1cc(O)c(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1C ZINC000738107822 1045042200 /nfs/dbraw/zinc/04/22/00/1045042200.db2.gz OQKFPQSDIKYFEG-MOPGFXCFSA-N 2 1 330.516 4.095 20 10 EICDMP Cc1cc(O)c(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1C ZINC000738107822 1045042215 /nfs/dbraw/zinc/04/22/15/1045042215.db2.gz OQKFPQSDIKYFEG-MOPGFXCFSA-N 2 1 330.516 4.095 20 10 EICDMP Cc1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000738273074 1045046550 /nfs/dbraw/zinc/04/65/50/1045046550.db2.gz WFWVXYIYFYCZPX-IBGZPJMESA-N 2 1 344.543 4.448 20 10 EICDMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(C(F)(F)F)cc1O ZINC000810211682 1048680933 /nfs/dbraw/zinc/68/09/33/1048680933.db2.gz UYWUZZCLKZZTLY-OAHLLOKOSA-N 2 1 341.377 4.047 20 10 EICDMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)c2ccc(C(F)(F)F)cc2O)C1 ZINC000810212446 1048681913 /nfs/dbraw/zinc/68/19/13/1048681913.db2.gz BCUAUCKZNUHZJU-CZUORRHYSA-N 2 1 344.421 4.184 20 10 EICDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816535407 1048825956 /nfs/dbraw/zinc/82/59/56/1048825956.db2.gz NTIVULSLXMEHGO-QGZVFWFLSA-N 2 1 326.484 4.147 20 10 EICDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(N(C)C)c(C)c2)cc1 ZINC000773000435 1049514429 /nfs/dbraw/zinc/51/44/29/1049514429.db2.gz PMJUQMSIKWFOGB-KRWDZBQOSA-N 2 1 348.494 4.406 20 10 EICDMP Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1O ZINC001171976517 1049836933 /nfs/dbraw/zinc/83/69/33/1049836933.db2.gz SHAFZBIGHPOAMN-HXUWFJFHSA-N 2 1 338.495 4.233 20 10 EICDMP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cc(Cl)c(Cl)cc1O ZINC000774496444 1051617534 /nfs/dbraw/zinc/61/75/34/1051617534.db2.gz LAHMVVIAWGKIEA-NSHDSACASA-N 2 1 343.298 4.224 20 10 EICDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C3CCCCC3)cc2)CC[N@H+]1C ZINC000765446018 1053550732 /nfs/dbraw/zinc/55/07/32/1053550732.db2.gz PEYOMIRFWBLMGB-HKUYNNGSSA-N 2 1 329.532 4.028 20 10 EICDMP Cc1cccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1O ZINC000775688420 1053594655 /nfs/dbraw/zinc/59/46/55/1053594655.db2.gz QZTFTBZSXDOREH-WIYYLYMNSA-N 2 1 338.495 4.186 20 10 EICDMP Cc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1O ZINC000775688420 1053594674 /nfs/dbraw/zinc/59/46/74/1053594674.db2.gz QZTFTBZSXDOREH-WIYYLYMNSA-N 2 1 338.495 4.186 20 10 EICDMP Cc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1O ZINC000775688420 1053594693 /nfs/dbraw/zinc/59/46/93/1053594693.db2.gz QZTFTBZSXDOREH-WIYYLYMNSA-N 2 1 338.495 4.186 20 10 EICDMP Cc1cccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1O ZINC000775688420 1053594708 /nfs/dbraw/zinc/59/47/08/1053594708.db2.gz QZTFTBZSXDOREH-WIYYLYMNSA-N 2 1 338.495 4.186 20 10 EICDMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2ccccc2c1O ZINC000853240640 1053658137 /nfs/dbraw/zinc/65/81/37/1053658137.db2.gz PTGKTYFXBASQFC-SJLPKXTDSA-N 2 1 338.495 4.318 20 10 EICDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000122731838 1054028153 /nfs/dbraw/zinc/02/81/53/1054028153.db2.gz PQIVLRRRBMQZOO-KRWDZBQOSA-N 2 1 348.494 4.406 20 10 EICDMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000123919100 1054329106 /nfs/dbraw/zinc/32/91/06/1054329106.db2.gz QVHGCQQUVLEEBW-KRWDZBQOSA-N 2 1 325.500 4.055 20 10 EICDMP Cc1ccc([C@@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)c(O)c1 ZINC000379627305 1059648484 /nfs/dbraw/zinc/64/84/84/1059648484.db2.gz HUAXTOVWLJUSJH-ZWKOTPCHSA-N 2 1 326.484 4.262 20 10 EICDMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)CC[N@@H+]1Cc1ccccc1 ZINC000379641500 1059710542 /nfs/dbraw/zinc/71/05/42/1059710542.db2.gz DABPEDHBYNHZSV-LSTHTHJFSA-N 2 1 336.479 4.022 20 10 EICDMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)CC[N@H+]1Cc1ccccc1 ZINC000379641500 1059710563 /nfs/dbraw/zinc/71/05/63/1059710563.db2.gz DABPEDHBYNHZSV-LSTHTHJFSA-N 2 1 336.479 4.022 20 10 EICDMP C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183187061 1022850299 /nfs/dbraw/zinc/85/02/99/1022850299.db2.gz IEMXTAZIBGKHOU-YQVWRLOYSA-N 2 1 329.532 4.056 20 10 EICDMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000119704110 1025875240 /nfs/dbraw/zinc/87/52/40/1025875240.db2.gz PASOSEHKCTZXAP-SFHVURJKSA-N 2 1 341.543 4.344 20 10 EICDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000161715761 1028749890 /nfs/dbraw/zinc/74/98/90/1028749890.db2.gz ZFRAYGBPSBKGGE-GOSISDBHSA-N 2 1 339.527 4.444 20 10 EICDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000185676114 1030215109 /nfs/dbraw/zinc/21/51/09/1030215109.db2.gz SLXUHVBPFLQPEW-KBPBESRZSA-N 2 1 339.414 4.437 20 10 EICDMP Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(O)c1 ZINC000311073427 1041252025 /nfs/dbraw/zinc/25/20/25/1041252025.db2.gz KNNOACVXAZUYKK-WSTZPKSXSA-N 2 1 338.495 4.262 20 10 EICDMP CCN(CC)c1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000727643572 1043255367 /nfs/dbraw/zinc/25/53/67/1043255367.db2.gz CAUSHEXFNUMJFG-LJQANCHMSA-N 2 1 331.548 4.277 20 10 EICDMP CCN(CC)c1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000727643782 1043255815 /nfs/dbraw/zinc/25/58/15/1043255815.db2.gz KXESUVPNEVHCAO-IBGZPJMESA-N 2 1 331.548 4.135 20 10 EICDMP Cc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000738273076 1045049446 /nfs/dbraw/zinc/04/94/46/1045049446.db2.gz WFWVXYIYFYCZPX-LJQANCHMSA-N 2 1 344.543 4.448 20 10 EICDMP CCc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000739876963 1045169503 /nfs/dbraw/zinc/16/95/03/1045169503.db2.gz WZMZXTXEJBKYOV-GOSISDBHSA-N 2 1 344.543 4.170 20 10 EICDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000768925305 1045861559 /nfs/dbraw/zinc/86/15/59/1045861559.db2.gz BFGIFERWWNWRTM-UHFFFAOYSA-N 2 1 343.559 4.229 20 10 EICDMP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000844923558 1048548072 /nfs/dbraw/zinc/54/80/72/1048548072.db2.gz IWZHPESAAUSSRR-LLVKDONJSA-N 2 1 339.266 4.269 20 10 EICDMP Oc1cc(F)c(Cl)cc1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000816562110 1048835748 /nfs/dbraw/zinc/83/57/48/1048835748.db2.gz YQWOSNFVFYHCSI-UHFFFAOYSA-N 2 1 348.849 4.070 20 10 EICDMP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cc(Cl)c(Cl)cc1O ZINC000817586064 1049016125 /nfs/dbraw/zinc/01/61/25/1049016125.db2.gz LJPXBZXIHNEIBT-VOMCLLRMSA-N 2 1 331.287 4.222 20 10 EICDMP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cc(Cl)c(Cl)cc1O ZINC000817586063 1049016226 /nfs/dbraw/zinc/01/62/26/1049016226.db2.gz LJPXBZXIHNEIBT-UNXYVOJBSA-N 2 1 331.287 4.222 20 10 EICDMP C[C@@H]([NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)c1c[nH+]ccc1N ZINC000817897355 1049053453 /nfs/dbraw/zinc/05/34/53/1049053453.db2.gz MAUCRGFXKUMLJW-MRXNPFEDSA-N 2 1 338.499 4.114 20 10 EICDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171641290 1049780004 /nfs/dbraw/zinc/78/00/04/1049780004.db2.gz ODWQWUMBFDCPML-UHFFFAOYSA-N 2 1 331.548 4.226 20 10 EICDMP Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172115719 1049858403 /nfs/dbraw/zinc/85/84/03/1049858403.db2.gz ZHJFMYNWQJKKBI-KYFSNAEOSA-N 2 1 342.527 4.237 20 10 EICDMP Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172115719 1049858408 /nfs/dbraw/zinc/85/84/08/1049858408.db2.gz ZHJFMYNWQJKKBI-KYFSNAEOSA-N 2 1 342.527 4.237 20 10 EICDMP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CCCCC1 ZINC001177581834 1050257204 /nfs/dbraw/zinc/25/72/04/1050257204.db2.gz PEDLSOCMMBDIKV-HXUWFJFHSA-N 2 1 347.522 4.026 20 10 EICDMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(O)c1 ZINC001180289285 1050955832 /nfs/dbraw/zinc/95/58/32/1050955832.db2.gz YSEZUMSMUVTSEQ-GHTZIAJQSA-N 2 1 338.495 4.186 20 10 EICDMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(O)c1 ZINC001180289285 1050955845 /nfs/dbraw/zinc/95/58/45/1050955845.db2.gz YSEZUMSMUVTSEQ-GHTZIAJQSA-N 2 1 338.495 4.186 20 10 EICDMP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c(O)c1 ZINC001180289285 1050955851 /nfs/dbraw/zinc/95/58/51/1050955851.db2.gz YSEZUMSMUVTSEQ-GHTZIAJQSA-N 2 1 338.495 4.186 20 10 EICDMP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c(O)c1 ZINC001180289285 1050955858 /nfs/dbraw/zinc/95/58/58/1050955858.db2.gz YSEZUMSMUVTSEQ-GHTZIAJQSA-N 2 1 338.495 4.186 20 10 EICDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000185245441 1052549451 /nfs/dbraw/zinc/54/94/51/1052549451.db2.gz ZUTQJTIWQTZIDD-DLBZAZTESA-N 2 1 344.524 4.325 20 10 EICDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000185245441 1052549459 /nfs/dbraw/zinc/54/94/59/1052549459.db2.gz ZUTQJTIWQTZIDD-DLBZAZTESA-N 2 1 344.524 4.325 20 10 EICDMP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(C)cc1O ZINC000842922769 1053683998 /nfs/dbraw/zinc/68/39/98/1053683998.db2.gz DALZXBUCDOKJBM-HLAWJBBLSA-N 2 1 338.495 4.087 20 10 EICDMP CC[C@@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1ccccc1O ZINC000379624598 1059617326 /nfs/dbraw/zinc/61/73/26/1059617326.db2.gz DLQDSYZXABMXJC-YLJYHZDGSA-N 2 1 326.484 4.344 20 10 EICDMP CC[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000310799505 1022280643 /nfs/dbraw/zinc/28/06/43/1022280643.db2.gz GKCCAZLLRIWOCX-LMNJBCLMSA-N 2 1 338.495 4.344 20 10 EICDMP Cc1ccc(O)c(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000311203216 1023002002 /nfs/dbraw/zinc/00/20/02/1023002002.db2.gz ILHRHRSHLCMULY-FQEVSTJZSA-N 2 1 338.495 4.093 20 10 EICDMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1cccs1)c1ccccc1O ZINC000364364914 1023682093 /nfs/dbraw/zinc/68/20/93/1023682093.db2.gz ZKOUGUVHRKVHOG-ALKREAHSSA-N 2 1 330.497 4.187 20 10 EICDMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1)c1ccccc1O ZINC000364364914 1023682099 /nfs/dbraw/zinc/68/20/99/1023682099.db2.gz ZKOUGUVHRKVHOG-ALKREAHSSA-N 2 1 330.497 4.187 20 10 EICDMP Oc1cc2ccccc2cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167972792 1026131795 /nfs/dbraw/zinc/13/17/95/1026131795.db2.gz BQVAQMAAJSLPGL-SEJPIABJSA-N 2 1 336.479 4.040 20 10 EICDMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc2ccccc2c1O ZINC000323861764 1035719278 /nfs/dbraw/zinc/71/92/78/1035719278.db2.gz PAMUCUUFSBLOCP-SJORKVTESA-N 2 1 326.484 4.461 20 10 EICDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000324057972 1041819054 /nfs/dbraw/zinc/81/90/54/1041819054.db2.gz WDJGBBAVDOLAJW-LJQANCHMSA-N 2 1 329.532 4.031 20 10 EICDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(-c3ccccc3)ccc2O)[C@@H](C)C1 ZINC000769482767 1045969923 /nfs/dbraw/zinc/96/99/23/1045969923.db2.gz DYWYWNIQRSLXSU-UWJYYQICSA-N 2 1 338.495 4.221 20 10 EICDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccccc3)ccc2O)[C@@H](C)C1 ZINC000769482767 1045969899 /nfs/dbraw/zinc/96/98/99/1045969899.db2.gz DYWYWNIQRSLXSU-UWJYYQICSA-N 2 1 338.495 4.221 20 10 EICDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(-c3ccccc3)ccc2O)[C@@H](C)C1 ZINC000769482767 1045969909 /nfs/dbraw/zinc/96/99/09/1045969909.db2.gz DYWYWNIQRSLXSU-UWJYYQICSA-N 2 1 338.495 4.221 20 10 EICDMP C[C@@H]1C[C@@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2O)CC[N@@H+]1C ZINC000815583956 1048522239 /nfs/dbraw/zinc/52/22/39/1048522239.db2.gz RTCLNYGZVXWRFH-SLYNCCJLSA-N 2 1 338.495 4.138 20 10 EICDMP C[C@@H]1C[C@@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2O)CC[N@H+]1C ZINC000815583956 1048522252 /nfs/dbraw/zinc/52/22/52/1048522252.db2.gz RTCLNYGZVXWRFH-SLYNCCJLSA-N 2 1 338.495 4.138 20 10 EICDMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816535406 1048825473 /nfs/dbraw/zinc/82/54/73/1048825473.db2.gz NTIVULSLXMEHGO-KRWDZBQOSA-N 2 1 326.484 4.147 20 10 EICDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816557793 1048834323 /nfs/dbraw/zinc/83/43/23/1048834323.db2.gz BKWQSPHPWVUWPX-KRWDZBQOSA-N 2 1 326.484 4.003 20 10 EICDMP CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000773076559 1049567374 /nfs/dbraw/zinc/56/73/74/1049567374.db2.gz ODOMQSSITKGDTM-RBUKOAKNSA-N 2 1 331.548 4.161 20 10 EICDMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccccc1O ZINC001171975663 1049836793 /nfs/dbraw/zinc/83/67/93/1049836793.db2.gz NPJNSUDQKJFVNZ-IEBWSBKVSA-N 2 1 338.495 4.486 20 10 EICDMP CC[N@@H+](CCC[NH2+]C/C=C/c1ccc(N(C)C)cc1)C1CCCCC1 ZINC001179090691 1050629781 /nfs/dbraw/zinc/62/97/81/1050629781.db2.gz IBFAXHVDJXCKBO-CSKARUKUSA-N 2 1 343.559 4.400 20 10 EICDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N3CCCCC3)c(C)c2)C[C@@H]1C ZINC001191418185 1051453099 /nfs/dbraw/zinc/45/30/99/1051453099.db2.gz SDYYPGLDVCZTJY-PZJWPPBQSA-N 2 1 343.559 4.290 20 10 EICDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)C[C@@H]1C ZINC001191418185 1051453103 /nfs/dbraw/zinc/45/31/03/1051453103.db2.gz SDYYPGLDVCZTJY-PZJWPPBQSA-N 2 1 343.559 4.290 20 10 EICDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)C[C@@H]1C ZINC001191418185 1051453114 /nfs/dbraw/zinc/45/31/14/1051453114.db2.gz SDYYPGLDVCZTJY-PZJWPPBQSA-N 2 1 343.559 4.290 20 10 EICDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])C1 ZINC000774160785 1051487910 /nfs/dbraw/zinc/48/79/10/1051487910.db2.gz BDMWMNYXOOHWDL-OLZOCXBDSA-N 2 1 345.314 4.470 20 10 EICDMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cc(F)ccc1O ZINC000185245867 1052549935 /nfs/dbraw/zinc/54/99/35/1052549935.db2.gz TWAJGBFQALPOCR-LSDHHAIUSA-N 2 1 348.487 4.156 20 10 EICDMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc(F)ccc1O ZINC000185245867 1052549940 /nfs/dbraw/zinc/54/99/40/1052549940.db2.gz TWAJGBFQALPOCR-LSDHHAIUSA-N 2 1 348.487 4.156 20 10 EICDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCCCCC3)cc2)C1 ZINC000765292678 1053498955 /nfs/dbraw/zinc/49/89/55/1053498955.db2.gz WYMVORXCVBHMQA-VQTJNVASSA-N 2 1 343.559 4.450 20 10 EICDMP Cc1cccc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1O ZINC000775678381 1053555358 /nfs/dbraw/zinc/55/53/58/1053555358.db2.gz CJJKJANRRYPMAI-UHFFFAOYSA-N 2 1 338.495 4.045 20 10 EICDMP Cc1cccc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1O ZINC000775734457 1053710927 /nfs/dbraw/zinc/71/09/27/1053710927.db2.gz QHWDEIDIZAKAAE-GOSISDBHSA-N 2 1 330.516 4.177 20 10 EICDMP C[C@@H](c1ccccc1)[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1O ZINC000776002538 1054437295 /nfs/dbraw/zinc/43/72/95/1054437295.db2.gz FDLVKUNDHUMBEE-RXVVDRJESA-N 2 1 338.495 4.440 20 10 EICDMP C[C@@H](c1ccccc1)[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1O ZINC000776002538 1054437301 /nfs/dbraw/zinc/43/73/01/1054437301.db2.gz FDLVKUNDHUMBEE-RXVVDRJESA-N 2 1 338.495 4.440 20 10 EICDMP C[C@@H](c1ccccc1)[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1O ZINC000776002538 1054437304 /nfs/dbraw/zinc/43/73/04/1054437304.db2.gz FDLVKUNDHUMBEE-RXVVDRJESA-N 2 1 338.495 4.440 20 10 EICDMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000125442106 1054796716 /nfs/dbraw/zinc/79/67/16/1054796716.db2.gz NBRSDCSCWRSEIY-UHFFFAOYSA-N 2 1 340.515 4.094 20 10 EICDMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000125442106 1054796730 /nfs/dbraw/zinc/79/67/30/1054796730.db2.gz NBRSDCSCWRSEIY-UHFFFAOYSA-N 2 1 340.515 4.094 20 10 EICDMP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccccc1O ZINC000877758387 1055116419 /nfs/dbraw/zinc/11/64/19/1055116419.db2.gz XLQYOWFZQOVCRA-DJPFJPOOSA-N 2 1 336.479 4.411 20 10 EICDMP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccccc1O ZINC000877758387 1055116431 /nfs/dbraw/zinc/11/64/31/1055116431.db2.gz XLQYOWFZQOVCRA-DJPFJPOOSA-N 2 1 336.479 4.411 20 10 EICDMP Cc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000379616837 1059607919 /nfs/dbraw/zinc/60/79/19/1059607919.db2.gz CZNJSIYIEVTEOP-QZTJIDSGSA-N 2 1 326.484 4.262 20 10 EICDMP CC[C@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1ccccc1O ZINC000379624596 1059618946 /nfs/dbraw/zinc/61/89/46/1059618946.db2.gz DLQDSYZXABMXJC-XLIONFOSSA-N 2 1 326.484 4.344 20 10 EICDMP Cc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(O)c1 ZINC000311001918 1022811248 /nfs/dbraw/zinc/81/12/48/1022811248.db2.gz JTMUDQQFUFLIHG-XMSQKQJNSA-N 2 1 338.495 4.263 20 10 EICDMP C[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1O ZINC001168023378 1044577820 /nfs/dbraw/zinc/57/78/20/1044577820.db2.gz VXOVCLHXSKLGSP-AJYBTWMASA-N 2 1 338.495 4.484 20 10 EICDMP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccccc1O ZINC000895460113 1044757167 /nfs/dbraw/zinc/75/71/67/1044757167.db2.gz JKZPCXNQIXFWSD-FFGOWVMKSA-N 2 1 336.479 4.096 20 10 EICDMP Oc1c(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)ccc2ccccc21 ZINC000816532408 1048825298 /nfs/dbraw/zinc/82/52/98/1048825298.db2.gz FVULKTIFHCMNNI-UHFFFAOYSA-N 2 1 346.474 4.083 20 10 EICDMP Oc1c(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)ccc2ccccc21 ZINC000816532408 1048825301 /nfs/dbraw/zinc/82/53/01/1048825301.db2.gz FVULKTIFHCMNNI-UHFFFAOYSA-N 2 1 346.474 4.083 20 10 EICDMP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cc(Cl)c(Cl)cc1O ZINC000817949734 1049063091 /nfs/dbraw/zinc/06/30/91/1049063091.db2.gz UJAPXONBNPPALN-NSHDSACASA-N 2 1 339.266 4.051 20 10 EICDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(C)c2)cc1 ZINC000773000438 1049514848 /nfs/dbraw/zinc/51/48/48/1049514848.db2.gz PMJUQMSIKWFOGB-QGZVFWFLSA-N 2 1 348.494 4.406 20 10 EICDMP CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC001191060230 1051337377 /nfs/dbraw/zinc/33/73/77/1051337377.db2.gz ZBQZAPKZYHENMG-PZJWPPBQSA-N 2 1 343.559 4.229 20 10 EICDMP CCN(C)c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC001191060230 1051337391 /nfs/dbraw/zinc/33/73/91/1051337391.db2.gz ZBQZAPKZYHENMG-PZJWPPBQSA-N 2 1 343.559 4.229 20 10 EICDMP CCN(C)c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC001191060230 1051337403 /nfs/dbraw/zinc/33/74/03/1051337403.db2.gz ZBQZAPKZYHENMG-PZJWPPBQSA-N 2 1 343.559 4.229 20 10 EICDMP CCN(C)c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC001191060230 1051337412 /nfs/dbraw/zinc/33/74/12/1051337412.db2.gz ZBQZAPKZYHENMG-PZJWPPBQSA-N 2 1 343.559 4.229 20 10 EICDMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000765144178 1053452850 /nfs/dbraw/zinc/45/28/50/1053452850.db2.gz VWTZFHDPAPBICK-SFHVURJKSA-N 2 1 340.515 4.313 20 10 EICDMP CCCC1CCC([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001199743574 1054460695 /nfs/dbraw/zinc/46/06/95/1054460695.db2.gz XAOJKLQSDPCMSO-UHFFFAOYSA-N 2 1 347.522 4.026 20 10 EICDMP C[C@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1cc(F)ccc1O ZINC000379643759 1059708410 /nfs/dbraw/zinc/70/84/10/1059708410.db2.gz GBOBYXFWNHERPV-HOTGVXAUSA-N 2 1 330.447 4.093 20 10 EICDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000729682932 1032145605 /nfs/dbraw/zinc/14/56/05/1032145605.db2.gz UUMJXRSTCIXHJI-SFHVURJKSA-N 2 1 338.495 4.269 20 10 EICDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC001167077732 1019568412 /nfs/dbraw/zinc/56/84/12/1019568412.db2.gz MWPKONXERBLHNA-UHFFFAOYSA-N 2 1 331.548 4.005 20 10 EICDMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)c(O)c1 ZINC000185053287 1022999566 /nfs/dbraw/zinc/99/95/66/1022999566.db2.gz PKUMJECEPFLRQV-SFHVURJKSA-N 2 1 338.495 4.324 20 10 EICDMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(O)c1 ZINC000185546816 1023051634 /nfs/dbraw/zinc/05/16/34/1023051634.db2.gz QSIUSVZQWFTOFS-YRNRMSPPSA-N 2 1 344.524 4.496 20 10 EICDMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(O)c1 ZINC000185546816 1023051649 /nfs/dbraw/zinc/05/16/49/1023051649.db2.gz QSIUSVZQWFTOFS-YRNRMSPPSA-N 2 1 344.524 4.496 20 10 EICDMP Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000248525311 1023075120 /nfs/dbraw/zinc/07/51/20/1023075120.db2.gz UJPPULHSMWNBEM-CMKODMSKSA-N 2 1 338.495 4.404 20 10 EICDMP Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000248525311 1023075130 /nfs/dbraw/zinc/07/51/30/1023075130.db2.gz UJPPULHSMWNBEM-CMKODMSKSA-N 2 1 338.495 4.404 20 10 EICDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000178695148 1027573040 /nfs/dbraw/zinc/57/30/40/1027573040.db2.gz IVUHZNCHBNXYAX-ROUUACIJSA-N 2 1 340.515 4.169 20 10 EICDMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000170788919 1036843233 /nfs/dbraw/zinc/84/32/33/1036843233.db2.gz IZLZQQZLHDTEMY-OAHLLOKOSA-N 2 1 330.447 4.224 20 10 EICDMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000152451022 1042828071 /nfs/dbraw/zinc/82/80/71/1042828071.db2.gz SHKOLCABGPLIMF-RBUKOAKNSA-N 2 1 341.543 4.202 20 10 EICDMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000152451114 1042828177 /nfs/dbraw/zinc/82/81/77/1042828177.db2.gz SHKOLCABGPLIMF-RTBURBONSA-N 2 1 341.543 4.202 20 10 EICDMP Cc1cc(O)c(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1C(C)C ZINC000738088724 1045031412 /nfs/dbraw/zinc/03/14/12/1045031412.db2.gz HCMTZQZUHSDLHF-UHFFFAOYSA-N 2 1 332.532 4.376 20 10 EICDMP Cc1cc(O)c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1C(C)C ZINC000738268977 1045048503 /nfs/dbraw/zinc/04/85/03/1045048503.db2.gz FOCUFPTVPRHVTB-LJQANCHMSA-N 2 1 330.516 4.274 20 10 EICDMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccccc1O ZINC000248385395 1045868237 /nfs/dbraw/zinc/86/82/37/1045868237.db2.gz IGKXQFPAQINUBS-QMTMVMCOSA-N 2 1 330.497 4.187 20 10 EICDMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccccc1O ZINC000248385395 1045868241 /nfs/dbraw/zinc/86/82/41/1045868241.db2.gz IGKXQFPAQINUBS-QMTMVMCOSA-N 2 1 330.497 4.187 20 10 EICDMP Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(O)c1 ZINC000788796737 1047304297 /nfs/dbraw/zinc/30/42/97/1047304297.db2.gz IBGDKFRDFORILG-UYAOXDASSA-N 2 1 338.495 4.182 20 10 EICDMP Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000816530649 1048825595 /nfs/dbraw/zinc/82/55/95/1048825595.db2.gz PNJBCMZKJRFXAQ-UHFFFAOYSA-N 2 1 348.849 4.070 20 10 EICDMP Cc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1O ZINC001171976516 1049837568 /nfs/dbraw/zinc/83/75/68/1049837568.db2.gz SHAFZBIGHPOAMN-FQEVSTJZSA-N 2 1 338.495 4.233 20 10 EICDMP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)ccc1N(C)C ZINC001190651666 1051244669 /nfs/dbraw/zinc/24/46/69/1051244669.db2.gz PKCMQYFWIVYDFF-NRFANRHFSA-N 2 1 343.559 4.005 20 10 EICDMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(N2CCCCCC2)cc1 ZINC000764967899 1053402154 /nfs/dbraw/zinc/40/21/54/1053402154.db2.gz YXCRQTJVCARWFX-VLCRHTCISA-N 2 1 341.543 4.344 20 10 EICDMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(N2CCCCCC2)cc1 ZINC000764967899 1053402165 /nfs/dbraw/zinc/40/21/65/1053402165.db2.gz YXCRQTJVCARWFX-VLCRHTCISA-N 2 1 341.543 4.344 20 10 EICDMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(O)c1C ZINC000794829132 1053439953 /nfs/dbraw/zinc/43/99/53/1053439953.db2.gz STQUVLSVKQMRIY-ICSRJNTNSA-N 2 1 338.495 4.182 20 10 EICDMP Cc1cc(Cl)cc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)c1O ZINC000776075611 1054522554 /nfs/dbraw/zinc/52/25/54/1054522554.db2.gz CFPPYPBFYMNFEA-UHFFFAOYSA-N 2 1 346.902 4.484 20 10 EICDMP CC(C)(C)c1cc(C[NH2+]CCC[NH+]2CCC2)c(O)c(C(C)(C)C)c1 ZINC001201833782 1054929177 /nfs/dbraw/zinc/92/91/77/1054929177.db2.gz VKJVRNCTSKBACI-UHFFFAOYSA-N 2 1 332.532 4.173 20 10 EICDMP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)c1ccccc1O ZINC000155304418 1020457127 /nfs/dbraw/zinc/45/71/27/1020457127.db2.gz FNKHJMJYBFFMMO-SFHVURJKSA-N 2 1 339.414 4.266 20 10 EICDMP CC[C@@H](c1ccccc1O)[N@@H+](Cc1ccco1)C1CCN(C)CC1 ZINC000377859624 1022053797 /nfs/dbraw/zinc/05/37/97/1022053797.db2.gz IGHCRPWOLCKGNF-IBGZPJMESA-N 2 1 328.456 4.033 20 10 EICDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1F ZINC000185134984 1030117778 /nfs/dbraw/zinc/11/77/78/1030117778.db2.gz ZCZUXGDQLPKVGQ-LBPRGKRZSA-N 2 1 343.377 4.015 20 10 EICDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N3CCCCC3)c(C)c2)[C@@H](C)C1 ZINC001167686135 1030996849 /nfs/dbraw/zinc/99/68/49/1030996849.db2.gz NUIJLGBUICNMJA-FPOVZHCZSA-N 2 1 343.559 4.147 20 10 EICDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)[C@@H](C)C1 ZINC001167686135 1030996870 /nfs/dbraw/zinc/99/68/70/1030996870.db2.gz NUIJLGBUICNMJA-FPOVZHCZSA-N 2 1 343.559 4.147 20 10 EICDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)[C@@H](C)C1 ZINC001167686135 1030996886 /nfs/dbraw/zinc/99/68/86/1030996886.db2.gz NUIJLGBUICNMJA-FPOVZHCZSA-N 2 1 343.559 4.147 20 10 EICDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(C)c(C)cc1O ZINC000727427128 1043219339 /nfs/dbraw/zinc/21/93/39/1043219339.db2.gz YMMGBUJJYBAYGA-UHFFFAOYSA-N 2 1 326.484 4.093 20 10 EICDMP Oc1ccc(Cl)c(F)c1C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000790973565 1045659823 /nfs/dbraw/zinc/65/98/23/1045659823.db2.gz NXSMLOWVWUVEDT-UHFFFAOYSA-N 2 1 340.870 4.071 20 10 EICDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(Cl)ccc1O ZINC000809738844 1048511836 /nfs/dbraw/zinc/51/18/36/1048511836.db2.gz MKJODGGJNAKYFA-UHFFFAOYSA-N 2 1 332.875 4.129 20 10 EICDMP C[C@H](c1ccccc1)[N@H+](CCCc1c[nH+]cn1C)Cc1ccccc1O ZINC000846839429 1048916627 /nfs/dbraw/zinc/91/66/27/1048916627.db2.gz FCUITGSKPKPNFA-GOSISDBHSA-N 2 1 349.478 4.322 20 10 EICDMP C[C@H](c1ccccc1)[N@@H+](CCCc1c[nH+]cn1C)Cc1ccccc1O ZINC000846839429 1048916640 /nfs/dbraw/zinc/91/66/40/1048916640.db2.gz FCUITGSKPKPNFA-GOSISDBHSA-N 2 1 349.478 4.322 20 10 EICDMP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)cc1 ZINC000817962344 1049070712 /nfs/dbraw/zinc/07/07/12/1049070712.db2.gz IASUSLIBYRNJHH-VXGBXAGGSA-N 2 1 338.373 4.282 20 10 EICDMP C[C@H]([NH2+]Cc1ccc(Cl)cc1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001180348888 1050962605 /nfs/dbraw/zinc/96/26/05/1050962605.db2.gz FJGHHOBGFROLPT-MAUKXSAKSA-N 2 1 344.886 4.046 20 10 EICDMP C[C@H]([NH2+]Cc1ccc(Cl)cc1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001180348888 1050962623 /nfs/dbraw/zinc/96/26/23/1050962623.db2.gz FJGHHOBGFROLPT-MAUKXSAKSA-N 2 1 344.886 4.046 20 10 EICDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N3CCCCC3)c(C)c2)C[C@H]1C ZINC001191418187 1051452120 /nfs/dbraw/zinc/45/21/20/1051452120.db2.gz SDYYPGLDVCZTJY-TZIWHRDSSA-N 2 1 343.559 4.290 20 10 EICDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)C[C@H]1C ZINC001191418187 1051452132 /nfs/dbraw/zinc/45/21/32/1051452132.db2.gz SDYYPGLDVCZTJY-TZIWHRDSSA-N 2 1 343.559 4.290 20 10 EICDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)C[C@H]1C ZINC001191418187 1051452139 /nfs/dbraw/zinc/45/21/39/1051452139.db2.gz SDYYPGLDVCZTJY-TZIWHRDSSA-N 2 1 343.559 4.290 20 10 EICDMP Cc1ccc([C@@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)c(O)c1 ZINC000379627300 1059649343 /nfs/dbraw/zinc/64/93/43/1059649343.db2.gz HUAXTOVWLJUSJH-QZTJIDSGSA-N 2 1 326.484 4.262 20 10 EICDMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)CC[N@@H+]1Cc1ccccc1 ZINC000379641503 1059711663 /nfs/dbraw/zinc/71/16/63/1059711663.db2.gz DABPEDHBYNHZSV-UXPWSPDFSA-N 2 1 336.479 4.022 20 10 EICDMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)CC[N@H+]1Cc1ccccc1 ZINC000379641503 1059711684 /nfs/dbraw/zinc/71/16/84/1059711684.db2.gz DABPEDHBYNHZSV-UXPWSPDFSA-N 2 1 336.479 4.022 20 10 EICDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1O ZINC000310905356 1022574051 /nfs/dbraw/zinc/57/40/51/1022574051.db2.gz BUFPZXDHOOSJSS-XYJFISCASA-N 2 1 342.458 4.093 20 10 EICDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1O ZINC000310905356 1022574082 /nfs/dbraw/zinc/57/40/82/1022574082.db2.gz BUFPZXDHOOSJSS-XYJFISCASA-N 2 1 342.458 4.093 20 10 EICDMP CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(F)cc1O ZINC000796684463 1023896266 /nfs/dbraw/zinc/89/62/66/1023896266.db2.gz UZTHGPIQQBKZFV-HXUWFJFHSA-N 2 1 342.458 4.368 20 10 EICDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000310890156 1031091138 /nfs/dbraw/zinc/09/11/38/1031091138.db2.gz KHWGFWWBROGWSV-PGRDOPGGSA-N 2 1 338.495 4.263 20 10 EICDMP C[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccccc1O ZINC000895460114 1044756859 /nfs/dbraw/zinc/75/68/59/1044756859.db2.gz JKZPCXNQIXFWSD-GTAWCEEGSA-N 2 1 336.479 4.096 20 10 EICDMP Cc1cc(C)c([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(O)c1 ZINC000815553326 1048506457 /nfs/dbraw/zinc/50/64/57/1048506457.db2.gz XRJNZONRRAAWBV-GOSISDBHSA-N 2 1 338.495 4.324 20 10 EICDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816493520 1048814782 /nfs/dbraw/zinc/81/47/82/1048814782.db2.gz FELNRLXQCYFPIC-UHFFFAOYSA-N 2 1 326.484 4.098 20 10 EICDMP CC[NH+](CC)C1CCC([N@@H+](C)Cc2ccc(N3CCCC3)cc2)CC1 ZINC001173111409 1050309919 /nfs/dbraw/zinc/30/99/19/1050309919.db2.gz FEPDRGYVMKIWQQ-UHFFFAOYSA-N 2 1 343.559 4.372 20 10 EICDMP CCc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c1O ZINC001180030984 1050860657 /nfs/dbraw/zinc/86/06/57/1050860657.db2.gz RTOCFUXICHEURV-ZWKOTPCHSA-N 2 1 330.516 4.041 20 10 EICDMP CCc1cccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1O ZINC001180030984 1050860658 /nfs/dbraw/zinc/86/06/58/1050860658.db2.gz RTOCFUXICHEURV-ZWKOTPCHSA-N 2 1 330.516 4.041 20 10 EICDMP CCc1cccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1O ZINC001180030984 1050860672 /nfs/dbraw/zinc/86/06/72/1050860672.db2.gz RTOCFUXICHEURV-ZWKOTPCHSA-N 2 1 330.516 4.041 20 10 EICDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185016434 1052370451 /nfs/dbraw/zinc/37/04/51/1052370451.db2.gz ZNGISTCANPORHL-OAHLLOKOSA-N 2 1 330.447 4.222 20 10 EICDMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)c(O)c1 ZINC000185053269 1052379909 /nfs/dbraw/zinc/37/99/09/1052379909.db2.gz PKUMJECEPFLRQV-GOSISDBHSA-N 2 1 338.495 4.324 20 10 EICDMP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000185245383 1052550011 /nfs/dbraw/zinc/55/00/11/1052550011.db2.gz ZUTQJTIWQTZIDD-SJORKVTESA-N 2 1 344.524 4.325 20 10 EICDMP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000185245383 1052550016 /nfs/dbraw/zinc/55/00/16/1052550016.db2.gz ZUTQJTIWQTZIDD-SJORKVTESA-N 2 1 344.524 4.325 20 10 EICDMP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccc(F)cc1O ZINC000185241409 1052551404 /nfs/dbraw/zinc/55/14/04/1052551404.db2.gz NZHLVVFLVOWBKH-CQSZACIVSA-N 2 1 348.487 4.156 20 10 EICDMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(N2CCCCC2)c(F)c1 ZINC000764962438 1053399324 /nfs/dbraw/zinc/39/93/24/1053399324.db2.gz JDBQEDOYXQXOOU-LDQXTDLNSA-N 2 1 345.506 4.093 20 10 EICDMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(N2CCCCC2)c(F)c1 ZINC000764962438 1053399341 /nfs/dbraw/zinc/39/93/41/1053399341.db2.gz JDBQEDOYXQXOOU-LDQXTDLNSA-N 2 1 345.506 4.093 20 10 EICDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000765293083 1053499005 /nfs/dbraw/zinc/49/90/05/1053499005.db2.gz ZUWILBHEYKQYFM-MSOLQXFVSA-N 2 1 347.522 4.199 20 10 EICDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(N3CCCCCC3)cc2)C1 ZINC000765292674 1053499692 /nfs/dbraw/zinc/49/96/92/1053499692.db2.gz WYMVORXCVBHMQA-UXHICEINSA-N 2 1 343.559 4.450 20 10 EICDMP C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001201946485 1054963150 /nfs/dbraw/zinc/96/31/50/1054963150.db2.gz FESZYIKSGKQCQJ-UYAOXDASSA-N 2 1 341.543 4.029 20 10 EICDMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccccc1O ZINC000877757871 1055115541 /nfs/dbraw/zinc/11/55/41/1055115541.db2.gz XLQYOWFZQOVCRA-HGHGUNKESA-N 2 1 336.479 4.411 20 10 EICDMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccccc1O ZINC000877757871 1055115549 /nfs/dbraw/zinc/11/55/49/1055115549.db2.gz XLQYOWFZQOVCRA-HGHGUNKESA-N 2 1 336.479 4.411 20 10 EICDMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000765784606 1055302945 /nfs/dbraw/zinc/30/29/45/1055302945.db2.gz SJEQBRPAXWJYBT-VQTJNVASSA-N 2 1 343.559 4.448 20 10 EICDMP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000310890157 1022578435 /nfs/dbraw/zinc/57/84/35/1022578435.db2.gz KHWGFWWBROGWSV-XMSQKQJNSA-N 2 1 338.495 4.263 20 10 EICDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000310890154 1022579716 /nfs/dbraw/zinc/57/97/16/1022579716.db2.gz KHWGFWWBROGWSV-AVRDEDQJSA-N 2 1 338.495 4.263 20 10 EICDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000185676146 1030215871 /nfs/dbraw/zinc/21/58/71/1030215871.db2.gz SLXUHVBPFLQPEW-UONOGXRCSA-N 2 1 339.414 4.437 20 10 EICDMP Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423086091 1037946234 /nfs/dbraw/zinc/94/62/34/1037946234.db2.gz MJLXSNVIAQPNSA-UYAOXDASSA-N 2 1 333.479 4.070 20 10 EICDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccccc3)ccc2O)C[C@H]1C ZINC000769469624 1045984804 /nfs/dbraw/zinc/98/48/04/1045984804.db2.gz BRJMWTDZIACZDY-UTKZUKDTSA-N 2 1 338.495 4.364 20 10 EICDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(-c3ccccc3)ccc2O)C[C@H]1C ZINC000769469624 1045984812 /nfs/dbraw/zinc/98/48/12/1045984812.db2.gz BRJMWTDZIACZDY-UTKZUKDTSA-N 2 1 338.495 4.364 20 10 EICDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(-c3ccccc3)ccc2O)C[C@H]1C ZINC000769469624 1045984819 /nfs/dbraw/zinc/98/48/19/1045984819.db2.gz BRJMWTDZIACZDY-UTKZUKDTSA-N 2 1 338.495 4.364 20 10 EICDMP CC[N@H+](Cc1cc(C)ccc1O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000769530885 1046009222 /nfs/dbraw/zinc/00/92/22/1046009222.db2.gz ODUFQEFLKQOXBW-FQEVSTJZSA-N 2 1 338.495 4.045 20 10 EICDMP CC[NH+](Cc1cc(C)ccc1O)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000769530885 1046009246 /nfs/dbraw/zinc/00/92/46/1046009246.db2.gz ODUFQEFLKQOXBW-FQEVSTJZSA-N 2 1 338.495 4.045 20 10 EICDMP CC[NH+](Cc1cc(C)ccc1O)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000769530885 1046009233 /nfs/dbraw/zinc/00/92/33/1046009233.db2.gz ODUFQEFLKQOXBW-FQEVSTJZSA-N 2 1 338.495 4.045 20 10 EICDMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)c1 ZINC000788596661 1047243427 /nfs/dbraw/zinc/24/34/27/1047243427.db2.gz ZQFHWDAITCXGGH-QGZVFWFLSA-N 2 1 326.484 4.312 20 10 EICDMP C[C@@H]1C[C@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2O)CC[N@@H+]1C ZINC000815583957 1048523194 /nfs/dbraw/zinc/52/31/94/1048523194.db2.gz RTCLNYGZVXWRFH-YFVAEKQCSA-N 2 1 338.495 4.138 20 10 EICDMP C[C@@H]1C[C@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2O)CC[N@H+]1C ZINC000815583957 1048523206 /nfs/dbraw/zinc/52/32/06/1048523206.db2.gz RTCLNYGZVXWRFH-YFVAEKQCSA-N 2 1 338.495 4.138 20 10 EICDMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cc(Cl)c(Cl)cc1O ZINC000844923273 1048549851 /nfs/dbraw/zinc/54/98/51/1048549851.db2.gz HMWUYSHVLSPSBJ-VIFPVBQESA-N 2 1 343.229 4.148 20 10 EICDMP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc(Cl)c(Cl)cc1O ZINC000774356858 1051574118 /nfs/dbraw/zinc/57/41/18/1051574118.db2.gz XPRUIJAZHBMZAG-NSHDSACASA-N 2 1 331.287 4.082 20 10 EICDMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc3ccccc3c2O)C1 ZINC000185358190 1052589291 /nfs/dbraw/zinc/58/92/91/1052589291.db2.gz GWPKKMWMIDPMFU-DLBZAZTESA-N 2 1 326.484 4.316 20 10 EICDMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C)cc1O ZINC000794826708 1053440172 /nfs/dbraw/zinc/44/01/72/1053440172.db2.gz CXCYDADVWZBXHC-TZIWHRDSSA-N 2 1 338.495 4.263 20 10 EICDMP C[C@@H](c1ccccc1)[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1O ZINC000776002534 1054437846 /nfs/dbraw/zinc/43/78/46/1054437846.db2.gz FDLVKUNDHUMBEE-GHTZIAJQSA-N 2 1 338.495 4.440 20 10 EICDMP C[C@@H](c1ccccc1)[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1O ZINC000776002534 1054437849 /nfs/dbraw/zinc/43/78/49/1054437849.db2.gz FDLVKUNDHUMBEE-GHTZIAJQSA-N 2 1 338.495 4.440 20 10 EICDMP C[C@@H](c1ccccc1)[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccccc1O ZINC000776002534 1054437856 /nfs/dbraw/zinc/43/78/56/1054437856.db2.gz FDLVKUNDHUMBEE-GHTZIAJQSA-N 2 1 338.495 4.440 20 10 EICDMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccccc1O ZINC000877757870 1055114180 /nfs/dbraw/zinc/11/41/80/1055114180.db2.gz XLQYOWFZQOVCRA-BLIXFSHQSA-N 2 1 336.479 4.411 20 10 EICDMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccccc1O ZINC000877757870 1055114187 /nfs/dbraw/zinc/11/41/87/1055114187.db2.gz XLQYOWFZQOVCRA-BLIXFSHQSA-N 2 1 336.479 4.411 20 10 EICDMP Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000310807626 1022391928 /nfs/dbraw/zinc/39/19/28/1022391928.db2.gz HZTJGHJQKNHAIZ-WSTZPKSXSA-N 2 1 338.495 4.262 20 10 EICDMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000180404594 1022639337 /nfs/dbraw/zinc/63/93/37/1022639337.db2.gz CADYKVJXSSORSQ-QGZVFWFLSA-N 2 1 347.522 4.339 20 10 EICDMP Cc1ccc([C@@H](C)[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(O)c1 ZINC000311001916 1022811279 /nfs/dbraw/zinc/81/12/79/1022811279.db2.gz JTMUDQQFUFLIHG-GCJKJVERSA-N 2 1 338.495 4.263 20 10 EICDMP Cc1cc(O)c(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1C ZINC000738107831 1045042022 /nfs/dbraw/zinc/04/20/22/1045042022.db2.gz OQKFPQSDIKYFEG-RTBURBONSA-N 2 1 330.516 4.095 20 10 EICDMP Cc1cc(O)c(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1C ZINC000738107831 1045042036 /nfs/dbraw/zinc/04/20/36/1045042036.db2.gz OQKFPQSDIKYFEG-RTBURBONSA-N 2 1 330.516 4.095 20 10 EICDMP Cc1cc(O)c(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1C ZINC000738107831 1045042047 /nfs/dbraw/zinc/04/20/47/1045042047.db2.gz OQKFPQSDIKYFEG-RTBURBONSA-N 2 1 330.516 4.095 20 10 EICDMP CCCC[NH+]1CCC([NH2+]Cc2ccc(N(CC)CC)c(F)c2)CC1 ZINC000740003979 1045174467 /nfs/dbraw/zinc/17/44/67/1045174467.db2.gz GVRKLIKUZOUMAG-UHFFFAOYSA-N 2 1 335.511 4.026 20 10 EICDMP C[N@@H+](Cc1ccccc1O)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171988777 1049831599 /nfs/dbraw/zinc/83/15/99/1049831599.db2.gz UXWLQTVQOSTAPD-FQEVSTJZSA-N 2 1 338.495 4.267 20 10 EICDMP C[NH+](Cc1ccccc1O)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988777 1049831601 /nfs/dbraw/zinc/83/16/01/1049831601.db2.gz UXWLQTVQOSTAPD-FQEVSTJZSA-N 2 1 338.495 4.267 20 10 EICDMP C[NH+](Cc1ccccc1O)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988777 1049831604 /nfs/dbraw/zinc/83/16/04/1049831604.db2.gz UXWLQTVQOSTAPD-FQEVSTJZSA-N 2 1 338.495 4.267 20 10 EICDMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cc(F)ccc1O ZINC000185245834 1052549633 /nfs/dbraw/zinc/54/96/33/1052549633.db2.gz TWAJGBFQALPOCR-GJZGRUSLSA-N 2 1 348.487 4.156 20 10 EICDMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc(F)ccc1O ZINC000185245834 1052549639 /nfs/dbraw/zinc/54/96/39/1052549639.db2.gz TWAJGBFQALPOCR-GJZGRUSLSA-N 2 1 348.487 4.156 20 10 EICDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000185245401 1052550252 /nfs/dbraw/zinc/55/02/52/1052550252.db2.gz ZUTQJTIWQTZIDD-IRXDYDNUSA-N 2 1 344.524 4.325 20 10 EICDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000185245401 1052550258 /nfs/dbraw/zinc/55/02/58/1052550258.db2.gz ZUTQJTIWQTZIDD-IRXDYDNUSA-N 2 1 344.524 4.325 20 10 EICDMP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cc(F)ccc1O ZINC000185469856 1052611116 /nfs/dbraw/zinc/61/11/16/1052611116.db2.gz LWFQRFOSBXSWAG-CVEARBPZSA-N 2 1 342.458 4.408 20 10 EICDMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C)cc1O ZINC000794826706 1053440208 /nfs/dbraw/zinc/44/02/08/1053440208.db2.gz CXCYDADVWZBXHC-PZJWPPBQSA-N 2 1 338.495 4.263 20 10 EICDMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000776010182 1054443568 /nfs/dbraw/zinc/44/35/68/1054443568.db2.gz NAJQZHRKOREDBX-QGZVFWFLSA-N 2 1 335.451 4.161 20 10 EICDMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000776010182 1054443587 /nfs/dbraw/zinc/44/35/87/1054443587.db2.gz NAJQZHRKOREDBX-QGZVFWFLSA-N 2 1 335.451 4.161 20 10 EICDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000765784603 1055302533 /nfs/dbraw/zinc/30/25/33/1055302533.db2.gz SJEQBRPAXWJYBT-PMACEKPBSA-N 2 1 343.559 4.448 20 10 EICDMP Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(O)c1 ZINC000311073416 1022866572 /nfs/dbraw/zinc/86/65/72/1022866572.db2.gz KNNOACVXAZUYKK-CMKODMSKSA-N 2 1 338.495 4.262 20 10 EICDMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)cc1O ZINC000184905469 1022968122 /nfs/dbraw/zinc/96/81/22/1022968122.db2.gz QRHSVCMHDSGVPP-MRXNPFEDSA-N 2 1 342.458 4.368 20 10 EICDMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1O ZINC000311222992 1023006453 /nfs/dbraw/zinc/00/64/53/1023006453.db2.gz VSSLZPKTRBHDSV-FUHWJXTLSA-N 2 1 342.458 4.094 20 10 EICDMP C[C@H]1CC([N@@H+](C)Cc2ccccc2O)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064917 1029636412 /nfs/dbraw/zinc/63/64/12/1029636412.db2.gz SFLBKFUGQSOQTD-ROUUACIJSA-N 2 1 338.495 4.266 20 10 EICDMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc2ccccc2c1O ZINC000323861760 1035719177 /nfs/dbraw/zinc/71/91/77/1035719177.db2.gz PAMUCUUFSBLOCP-IAGOWNOFSA-N 2 1 326.484 4.461 20 10 EICDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1c(O)ccc2ccncc21 ZINC000727425904 1043218854 /nfs/dbraw/zinc/21/88/54/1043218854.db2.gz BTXCNRSVOHWGPG-UHFFFAOYSA-N 2 1 349.478 4.024 20 10 EICDMP CCCN(CCC)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000727644359 1043255198 /nfs/dbraw/zinc/25/51/98/1043255198.db2.gz BNCAKIOERRKCTC-SFTDATJTSA-N 2 1 329.532 4.029 20 10 EICDMP CCCN(CCC)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000727644359 1043255206 /nfs/dbraw/zinc/25/52/06/1043255206.db2.gz BNCAKIOERRKCTC-SFTDATJTSA-N 2 1 329.532 4.029 20 10 EICDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000738089810 1045032453 /nfs/dbraw/zinc/03/24/53/1045032453.db2.gz MUFNJQOPAQRVDQ-UHFFFAOYSA-N 2 1 326.484 4.098 20 10 EICDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000769147180 1045880540 /nfs/dbraw/zinc/88/05/40/1045880540.db2.gz BSSXLLWHQBXTEW-HZPDHXFCSA-N 2 1 336.907 4.132 20 10 EICDMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cc(Cl)ccc2O)C1 ZINC000769147180 1045880530 /nfs/dbraw/zinc/88/05/30/1045880530.db2.gz BSSXLLWHQBXTEW-HZPDHXFCSA-N 2 1 336.907 4.132 20 10 EICDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cc(Cl)ccc2O)C1 ZINC000769147180 1045880536 /nfs/dbraw/zinc/88/05/36/1045880536.db2.gz BSSXLLWHQBXTEW-HZPDHXFCSA-N 2 1 336.907 4.132 20 10 EICDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000769147180 1045880544 /nfs/dbraw/zinc/88/05/44/1045880544.db2.gz BSSXLLWHQBXTEW-HZPDHXFCSA-N 2 1 336.907 4.132 20 10 EICDMP Cc1ccc(O)c(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000769314835 1045917050 /nfs/dbraw/zinc/91/70/50/1045917050.db2.gz QTKGXRAXTYSZNA-UHFFFAOYSA-N 2 1 338.495 4.045 20 10 EICDMP CC1CCN(c2ccc(C[NH2+][C@H]3C[C@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000817901325 1049056377 /nfs/dbraw/zinc/05/63/77/1049056377.db2.gz BTHIOVYBVFMYIE-VXKWHMMOSA-N 2 1 335.495 4.157 20 10 EICDMP Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172115718 1049859270 /nfs/dbraw/zinc/85/92/70/1049859270.db2.gz ZHJFMYNWQJKKBI-DLRJPAPCSA-N 2 1 342.527 4.237 20 10 EICDMP Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172115718 1049859272 /nfs/dbraw/zinc/85/92/72/1049859272.db2.gz ZHJFMYNWQJKKBI-DLRJPAPCSA-N 2 1 342.527 4.237 20 10 EICDMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(O)c1 ZINC000185003386 1052356978 /nfs/dbraw/zinc/35/69/78/1052356978.db2.gz YQYFNJUDYIBDDF-GOSISDBHSA-N 2 1 338.495 4.058 20 10 EICDMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c(O)c1 ZINC000185245806 1052549579 /nfs/dbraw/zinc/54/95/79/1052549579.db2.gz GCEKYLBHMQMYCH-DLBZAZTESA-N 2 1 344.524 4.325 20 10 EICDMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(O)c1 ZINC000185245806 1052549582 /nfs/dbraw/zinc/54/95/82/1052549582.db2.gz GCEKYLBHMQMYCH-DLBZAZTESA-N 2 1 344.524 4.325 20 10 EICDMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cc(F)ccc1O ZINC000185658830 1052666525 /nfs/dbraw/zinc/66/65/25/1052666525.db2.gz HUFIPQAXUWCIJO-BXWFABGCSA-N 2 1 342.458 4.235 20 10 EICDMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cc(F)ccc1O ZINC000185658830 1052666530 /nfs/dbraw/zinc/66/65/30/1052666530.db2.gz HUFIPQAXUWCIJO-BXWFABGCSA-N 2 1 342.458 4.235 20 10 EICDMP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000794839056 1053514448 /nfs/dbraw/zinc/51/44/48/1053514448.db2.gz YHXOIAOSQGPFLH-NLMOZGTASA-N 2 1 341.543 4.344 20 10 EICDMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2ccccc2c1O ZINC000853240638 1053657442 /nfs/dbraw/zinc/65/74/42/1053657442.db2.gz PTGKTYFXBASQFC-AEFFLSMTSA-N 2 1 338.495 4.318 20 10 EICDMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000743390210 1058967282 /nfs/dbraw/zinc/96/72/82/1058967282.db2.gz OKDUXVDHIVCRDD-QGZVFWFLSA-N 2 1 332.532 4.162 20 10 EICDMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000743390210 1058967298 /nfs/dbraw/zinc/96/72/98/1058967298.db2.gz OKDUXVDHIVCRDD-QGZVFWFLSA-N 2 1 332.532 4.162 20 10 EICDMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000743390210 1058967323 /nfs/dbraw/zinc/96/73/23/1058967323.db2.gz OKDUXVDHIVCRDD-QGZVFWFLSA-N 2 1 332.532 4.162 20 10 EICDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000743390208 1058968993 /nfs/dbraw/zinc/96/89/93/1058968993.db2.gz OKDUXVDHIVCRDD-KRWDZBQOSA-N 2 1 332.532 4.162 20 10 EICDMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000743390208 1058969009 /nfs/dbraw/zinc/96/90/09/1058969009.db2.gz OKDUXVDHIVCRDD-KRWDZBQOSA-N 2 1 332.532 4.162 20 10 EICDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000743390208 1058969024 /nfs/dbraw/zinc/96/90/24/1058969024.db2.gz OKDUXVDHIVCRDD-KRWDZBQOSA-N 2 1 332.532 4.162 20 10 EICDMP Cc1nccn1CCC[N@H+](C)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000162837381 1024945061 /nfs/dbraw/zinc/94/50/61/1024945061.db2.gz FWBOVBHTPIDVIO-UHFFFAOYSA-N 2 1 329.488 4.025 20 10 EICDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000162837381 1024945080 /nfs/dbraw/zinc/94/50/80/1024945080.db2.gz FWBOVBHTPIDVIO-UHFFFAOYSA-N 2 1 329.488 4.025 20 10 EICDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000162837381 1024945092 /nfs/dbraw/zinc/94/50/92/1024945092.db2.gz FWBOVBHTPIDVIO-UHFFFAOYSA-N 2 1 329.488 4.025 20 10 EICDMP CCc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(O)c(C(C)(C)C)c1 ZINC000728906915 1026607835 /nfs/dbraw/zinc/60/78/35/1026607835.db2.gz MINYFXJQQNNEFC-UHFFFAOYSA-N 2 1 332.532 4.026 20 10 EICDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000178695183 1027576821 /nfs/dbraw/zinc/57/68/21/1027576821.db2.gz IVUHZNCHBNXYAX-QZTJIDSGSA-N 2 1 340.515 4.169 20 10 EICDMP C[C@@H]1CC([N@@H+](C)Cc2ccccc2O)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168064915 1029635501 /nfs/dbraw/zinc/63/55/01/1029635501.db2.gz SFLBKFUGQSOQTD-QZTJIDSGSA-N 2 1 338.495 4.266 20 10 EICDMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000766165088 1045003309 /nfs/dbraw/zinc/00/33/09/1045003309.db2.gz CKWQLXHBBDBKEW-CMKODMSKSA-N 2 1 329.532 4.200 20 10 EICDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000766165088 1045003316 /nfs/dbraw/zinc/00/33/16/1045003316.db2.gz CKWQLXHBBDBKEW-CMKODMSKSA-N 2 1 329.532 4.200 20 10 EICDMP CCCN(CCC)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000915682842 1045448186 /nfs/dbraw/zinc/44/81/86/1045448186.db2.gz SAVUBUVMSYZVMF-TZIWHRDSSA-N 2 1 329.532 4.029 20 10 EICDMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)c1ccc(N(C)C)cc1 ZINC000773074669 1049565175 /nfs/dbraw/zinc/56/51/75/1049565175.db2.gz GYQNUYMWLKFRTM-WIYYLYMNSA-N 2 1 331.548 4.161 20 10 EICDMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])C1 ZINC000774160786 1051488397 /nfs/dbraw/zinc/48/83/97/1051488397.db2.gz BDMWMNYXOOHWDL-QWHCGFSZSA-N 2 1 345.314 4.470 20 10 EICDMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(O)c1 ZINC000185546777 1052636185 /nfs/dbraw/zinc/63/61/85/1052636185.db2.gz QSIUSVZQWFTOFS-FTRWYGJKSA-N 2 1 344.524 4.496 20 10 EICDMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(O)c1 ZINC000185546777 1052636190 /nfs/dbraw/zinc/63/61/90/1052636190.db2.gz QSIUSVZQWFTOFS-FTRWYGJKSA-N 2 1 344.524 4.496 20 10 EICDMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(N2CCCCC2)c(F)c1 ZINC000764962447 1053398525 /nfs/dbraw/zinc/39/85/25/1053398525.db2.gz JDBQEDOYXQXOOU-LRQRDZAKSA-N 2 1 345.506 4.093 20 10 EICDMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(N2CCCCC2)c(F)c1 ZINC000764962447 1053398539 /nfs/dbraw/zinc/39/85/39/1053398539.db2.gz JDBQEDOYXQXOOU-LRQRDZAKSA-N 2 1 345.506 4.093 20 10 EICDMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3ccccc3O)C[C@@H]21 ZINC001203555810 1055097961 /nfs/dbraw/zinc/09/79/61/1055097961.db2.gz GPFIMBFLFPXEJZ-ONTIZHBOSA-N 2 1 336.479 4.003 20 10 EICDMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccccc3O)C[C@@H]21 ZINC001203555810 1055097974 /nfs/dbraw/zinc/09/79/74/1055097974.db2.gz GPFIMBFLFPXEJZ-ONTIZHBOSA-N 2 1 336.479 4.003 20 10 EICDMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccccc3O)C[C@@H]21 ZINC001203555810 1055097984 /nfs/dbraw/zinc/09/79/84/1055097984.db2.gz GPFIMBFLFPXEJZ-ONTIZHBOSA-N 2 1 336.479 4.003 20 10 EICDMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)c1ccc(N(C)C)cc1 ZINC000765777778 1055272744 /nfs/dbraw/zinc/27/27/44/1055272744.db2.gz YXRLHZRHEJSOSQ-QFIPXVFZSA-N 2 1 339.527 4.445 20 10 EICDMP CC[C@H](c1ccccc1O)[N@@H+](Cc1ccco1)C1CCN(C)CC1 ZINC000377859625 1022055239 /nfs/dbraw/zinc/05/52/39/1022055239.db2.gz IGHCRPWOLCKGNF-LJQANCHMSA-N 2 1 328.456 4.033 20 10 EICDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000363870732 1022875259 /nfs/dbraw/zinc/87/52/59/1022875259.db2.gz YHOKJFBPHPSZNU-YZVOILCLSA-N 2 1 330.497 4.106 20 10 EICDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000363870732 1022875260 /nfs/dbraw/zinc/87/52/60/1022875260.db2.gz YHOKJFBPHPSZNU-YZVOILCLSA-N 2 1 330.497 4.106 20 10 EICDMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1O ZINC000311222993 1023007697 /nfs/dbraw/zinc/00/76/97/1023007697.db2.gz VSSLZPKTRBHDSV-SJLPKXTDSA-N 2 1 342.458 4.094 20 10 EICDMP C[NH+]1CCC([NH2+]Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1 ZINC000237109584 1034817007 /nfs/dbraw/zinc/81/70/07/1034817007.db2.gz HXOIPSCHWGPCFJ-UHFFFAOYSA-N 2 1 332.532 4.171 20 10 EICDMP Cc1cc(O)c(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)cc1C ZINC000174313066 1038910036 /nfs/dbraw/zinc/91/00/36/1038910036.db2.gz GCDVBPINJTURLU-UHFFFAOYSA-N 2 1 326.484 4.139 20 10 EICDMP C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccccc1O ZINC000895460115 1044758035 /nfs/dbraw/zinc/75/80/35/1044758035.db2.gz JKZPCXNQIXFWSD-LEAZDLGRSA-N 2 1 336.479 4.096 20 10 EICDMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1 ZINC000738228244 1045046045 /nfs/dbraw/zinc/04/60/45/1045046045.db2.gz USJIRVWIGVBVEK-MRXNPFEDSA-N 2 1 346.559 4.371 20 10 EICDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000154853789 1047702687 /nfs/dbraw/zinc/70/26/87/1047702687.db2.gz JWPGNFDMJXYPSV-SFHVURJKSA-N 2 1 339.527 4.444 20 10 EICDMP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1cccc(C(F)(F)F)c1O ZINC000815647167 1048569460 /nfs/dbraw/zinc/56/94/60/1048569460.db2.gz BBAHNLDESVXWGP-CQSZACIVSA-N 2 1 344.421 4.328 20 10 EICDMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc3ccccc3c2O)c1 ZINC000816548255 1048827967 /nfs/dbraw/zinc/82/79/67/1048827967.db2.gz AWOVILUWALJVRN-UHFFFAOYSA-N 2 1 334.463 4.287 20 10 EICDMP COc1cccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)c1O ZINC000846141493 1048830227 /nfs/dbraw/zinc/83/02/27/1048830227.db2.gz KFAAMTHNZYXZSI-MRXNPFEDSA-N 2 1 342.483 4.092 20 10 EICDMP CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000773076552 1049566665 /nfs/dbraw/zinc/56/66/65/1049566665.db2.gz ODOMQSSITKGDTM-OALUTQOASA-N 2 1 331.548 4.161 20 10 EICDMP CCN(CC)c1ccc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1F ZINC001178462430 1050476983 /nfs/dbraw/zinc/47/69/83/1050476983.db2.gz FOVLUMKCYVTMEM-QGZVFWFLSA-N 2 1 335.511 4.026 20 10 EICDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc3ccccc3c2O)C1 ZINC000185358211 1052588411 /nfs/dbraw/zinc/58/84/11/1052588411.db2.gz GWPKKMWMIDPMFU-IRXDYDNUSA-N 2 1 326.484 4.316 20 10 EICDMP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cc(F)ccc1O ZINC000185469818 1052610763 /nfs/dbraw/zinc/61/07/63/1052610763.db2.gz LWFQRFOSBXSWAG-HOTGVXAUSA-N 2 1 342.458 4.408 20 10 EICDMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1cc(F)ccc1O ZINC000185546882 1052636302 /nfs/dbraw/zinc/63/63/02/1052636302.db2.gz ZGCHANKRUBEJDZ-KSMMKXTCSA-N 2 1 348.487 4.327 20 10 EICDMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1cc(F)ccc1O ZINC000185546882 1052636303 /nfs/dbraw/zinc/63/63/03/1052636303.db2.gz ZGCHANKRUBEJDZ-KSMMKXTCSA-N 2 1 348.487 4.327 20 10 EICDMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000764637516 1053241819 /nfs/dbraw/zinc/24/18/19/1053241819.db2.gz FPRDATWMVIHPIJ-KRWDZBQOSA-N 2 1 347.522 4.341 20 10 EICDMP Cc1cccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1O ZINC000775688417 1053593974 /nfs/dbraw/zinc/59/39/74/1053593974.db2.gz QZTFTBZSXDOREH-RXVVDRJESA-N 2 1 338.495 4.186 20 10 EICDMP Cc1cccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1O ZINC000775688417 1053593990 /nfs/dbraw/zinc/59/39/90/1053593990.db2.gz QZTFTBZSXDOREH-RXVVDRJESA-N 2 1 338.495 4.186 20 10 EICDMP Cc1cccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1O ZINC000775688417 1053594007 /nfs/dbraw/zinc/59/40/07/1053594007.db2.gz QZTFTBZSXDOREH-RXVVDRJESA-N 2 1 338.495 4.186 20 10 EICDMP Cc1cccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1O ZINC000775688417 1053594020 /nfs/dbraw/zinc/59/40/20/1053594020.db2.gz QZTFTBZSXDOREH-RXVVDRJESA-N 2 1 338.495 4.186 20 10 EICDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000122732024 1054028777 /nfs/dbraw/zinc/02/87/77/1054028777.db2.gz PQIVLRRRBMQZOO-QGZVFWFLSA-N 2 1 348.494 4.406 20 10 EICDMP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1O ZINC000877755609 1055115373 /nfs/dbraw/zinc/11/53/73/1055115373.db2.gz HXDGGQOUAOSQCE-IEBWSBKVSA-N 2 1 336.479 4.240 20 10 EICDMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1O ZINC000877755609 1055115383 /nfs/dbraw/zinc/11/53/83/1055115383.db2.gz HXDGGQOUAOSQCE-IEBWSBKVSA-N 2 1 336.479 4.240 20 10 EICDMP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccccc1O ZINC000877758389 1055116958 /nfs/dbraw/zinc/11/69/58/1055116958.db2.gz XLQYOWFZQOVCRA-YRISNDGFSA-N 2 1 336.479 4.411 20 10 EICDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccccc1O ZINC000877758389 1055116972 /nfs/dbraw/zinc/11/69/72/1055116972.db2.gz XLQYOWFZQOVCRA-YRISNDGFSA-N 2 1 336.479 4.411 20 10 EICDMP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccccc1O ZINC000877758388 1055117784 /nfs/dbraw/zinc/11/77/84/1055117784.db2.gz XLQYOWFZQOVCRA-MDKPJZGXSA-N 2 1 336.479 4.411 20 10 EICDMP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccccc1O ZINC000877758388 1055117796 /nfs/dbraw/zinc/11/77/96/1055117796.db2.gz XLQYOWFZQOVCRA-MDKPJZGXSA-N 2 1 336.479 4.411 20 10 EICDMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)c(O)c1 ZINC000363859305 1022861601 /nfs/dbraw/zinc/86/16/01/1022861601.db2.gz FKKHRLIQFXSOSJ-DOXZYTNZSA-N 2 1 330.497 4.106 20 10 EICDMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2cccs2)c(O)c1 ZINC000363859305 1022861603 /nfs/dbraw/zinc/86/16/03/1022861603.db2.gz FKKHRLIQFXSOSJ-DOXZYTNZSA-N 2 1 330.497 4.106 20 10 EICDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000363870726 1022875410 /nfs/dbraw/zinc/87/54/10/1022875410.db2.gz YHOKJFBPHPSZNU-DOXZYTNZSA-N 2 1 330.497 4.106 20 10 EICDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000363870726 1022875413 /nfs/dbraw/zinc/87/54/13/1022875413.db2.gz YHOKJFBPHPSZNU-DOXZYTNZSA-N 2 1 330.497 4.106 20 10 EICDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000248493974 1024083978 /nfs/dbraw/zinc/08/39/78/1024083978.db2.gz KGPHZTMYYJQCJB-TWOQFEAHSA-N 2 1 344.524 4.496 20 10 EICDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000248493974 1024083998 /nfs/dbraw/zinc/08/39/98/1024083998.db2.gz KGPHZTMYYJQCJB-TWOQFEAHSA-N 2 1 344.524 4.496 20 10 EICDMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000840808553 1029396260 /nfs/dbraw/zinc/39/62/60/1029396260.db2.gz MGTWNXLVQKGUDY-RBUKOAKNSA-N 2 1 329.532 4.059 20 10 EICDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2O)cc1F ZINC000185134917 1030117743 /nfs/dbraw/zinc/11/77/43/1030117743.db2.gz RDYMDAFTIOQZAY-AWEZNQCLSA-N 2 1 339.414 4.185 20 10 EICDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000185676128 1030215477 /nfs/dbraw/zinc/21/54/77/1030215477.db2.gz SLXUHVBPFLQPEW-ZIAGYGMSSA-N 2 1 339.414 4.437 20 10 EICDMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000158186693 1035659261 /nfs/dbraw/zinc/65/92/61/1035659261.db2.gz IJMADYJRUCMWKC-RTBURBONSA-N 2 1 329.532 4.059 20 10 EICDMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000152450938 1042828078 /nfs/dbraw/zinc/82/80/78/1042828078.db2.gz SHKOLCABGPLIMF-MOPGFXCFSA-N 2 1 341.543 4.202 20 10 EICDMP CC(C)(C)c1cccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1O ZINC001143103591 1043378769 /nfs/dbraw/zinc/37/87/69/1043378769.db2.gz GFAOATSIHPXBQJ-UHFFFAOYSA-N 2 1 330.516 4.140 20 10 EICDMP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1O ZINC001168023384 1044580793 /nfs/dbraw/zinc/58/07/93/1044580793.db2.gz VXOVCLHXSKLGSP-DMUMMCEESA-N 2 1 338.495 4.484 20 10 EICDMP C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000809705497 1048487635 /nfs/dbraw/zinc/48/76/35/1048487635.db2.gz WGYQRUIXNAGJPA-WCRBZPEASA-N 2 1 336.479 4.116 20 10 EICDMP C[NH+](Cc1cc(-c2ccccc2)ccc1O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000809705497 1048487638 /nfs/dbraw/zinc/48/76/38/1048487638.db2.gz WGYQRUIXNAGJPA-WCRBZPEASA-N 2 1 336.479 4.116 20 10 EICDMP C[NH+](Cc1cc(-c2ccccc2)ccc1O)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000809705497 1048487640 /nfs/dbraw/zinc/48/76/40/1048487640.db2.gz WGYQRUIXNAGJPA-WCRBZPEASA-N 2 1 336.479 4.116 20 10 EICDMP C[C@@H]1C[C@@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CC[N@@H+]1C ZINC000815583954 1048523764 /nfs/dbraw/zinc/52/37/64/1048523764.db2.gz RTCLNYGZVXWRFH-LMNJBCLMSA-N 2 1 338.495 4.138 20 10 EICDMP C[C@@H]1C[C@@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CC[N@H+]1C ZINC000815583954 1048523778 /nfs/dbraw/zinc/52/37/78/1048523778.db2.gz RTCLNYGZVXWRFH-LMNJBCLMSA-N 2 1 338.495 4.138 20 10 EICDMP C[C@H]([NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)c1c[nH+]ccc1N ZINC000817897354 1049054069 /nfs/dbraw/zinc/05/40/69/1049054069.db2.gz MAUCRGFXKUMLJW-INIZCTEOSA-N 2 1 338.499 4.114 20 10 EICDMP CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000773076562 1049567806 /nfs/dbraw/zinc/56/78/06/1049567806.db2.gz ODOMQSSITKGDTM-RTBURBONSA-N 2 1 331.548 4.161 20 10 EICDMP CC[NH+](CC)CCCC1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC001180819254 1051089502 /nfs/dbraw/zinc/08/95/02/1051089502.db2.gz GQYOUFCFHHIGLA-UHFFFAOYSA-N 2 1 340.458 4.004 20 10 EICDMP Cc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)ccc1N(C)C ZINC001190651672 1051244412 /nfs/dbraw/zinc/24/44/12/1051244412.db2.gz PKCMQYFWIVYDFF-OAQYLSRUSA-N 2 1 343.559 4.005 20 10 EICDMP CCN(C)c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC001191060228 1051336710 /nfs/dbraw/zinc/33/67/10/1051336710.db2.gz ZBQZAPKZYHENMG-CTNGQTDRSA-N 2 1 343.559 4.229 20 10 EICDMP CCN(C)c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC001191060228 1051336715 /nfs/dbraw/zinc/33/67/15/1051336715.db2.gz ZBQZAPKZYHENMG-CTNGQTDRSA-N 2 1 343.559 4.229 20 10 EICDMP CCN(C)c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC001191060228 1051336721 /nfs/dbraw/zinc/33/67/21/1051336721.db2.gz ZBQZAPKZYHENMG-CTNGQTDRSA-N 2 1 343.559 4.229 20 10 EICDMP CCN(C)c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC001191060228 1051336727 /nfs/dbraw/zinc/33/67/27/1051336727.db2.gz ZBQZAPKZYHENMG-CTNGQTDRSA-N 2 1 343.559 4.229 20 10 EICDMP Cc1ccc(O)c([C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000185003200 1052356642 /nfs/dbraw/zinc/35/66/42/1052356642.db2.gz ZYNUBUWBWDYRLX-GOSISDBHSA-N 2 1 338.495 4.058 20 10 EICDMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2ccc(F)cc2O)c1 ZINC000185062207 1052388624 /nfs/dbraw/zinc/38/86/24/1052388624.db2.gz UWQPVRJQOYELKX-OAHLLOKOSA-N 2 1 330.447 4.224 20 10 EICDMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(N2CCCCC2)c(F)c1 ZINC000764962449 1053397955 /nfs/dbraw/zinc/39/79/55/1053397955.db2.gz JDBQEDOYXQXOOU-NBHGPNQESA-N 2 1 345.506 4.093 20 10 EICDMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(N2CCCCC2)c(F)c1 ZINC000764962449 1053397973 /nfs/dbraw/zinc/39/79/73/1053397973.db2.gz JDBQEDOYXQXOOU-NBHGPNQESA-N 2 1 345.506 4.093 20 10 EICDMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(N2CCCCC2)c(F)c1 ZINC000764962450 1053398282 /nfs/dbraw/zinc/39/82/82/1053398282.db2.gz JDBQEDOYXQXOOU-SCWSEQNSSA-N 2 1 345.506 4.093 20 10 EICDMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(N2CCCCC2)c(F)c1 ZINC000764962450 1053398296 /nfs/dbraw/zinc/39/82/96/1053398296.db2.gz JDBQEDOYXQXOOU-SCWSEQNSSA-N 2 1 345.506 4.093 20 10 EICDMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000765293084 1053499110 /nfs/dbraw/zinc/49/91/10/1053499110.db2.gz ZUWILBHEYKQYFM-QZTJIDSGSA-N 2 1 347.522 4.199 20 10 EICDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000765293085 1053499668 /nfs/dbraw/zinc/49/96/68/1053499668.db2.gz ZUWILBHEYKQYFM-ROUUACIJSA-N 2 1 347.522 4.199 20 10 EICDMP Cc1cccc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1O ZINC000775734458 1053711188 /nfs/dbraw/zinc/71/11/88/1053711188.db2.gz QHWDEIDIZAKAAE-SFHVURJKSA-N 2 1 330.516 4.177 20 10 EICDMP C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(F)cc1O ZINC000186164959 1054057621 /nfs/dbraw/zinc/05/76/21/1054057621.db2.gz YQJJVXOVJCRGHM-ZLPCBKJTSA-N 2 1 334.479 4.225 20 10 EICDMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000858490320 1054498375 /nfs/dbraw/zinc/49/83/75/1054498375.db2.gz GFFVUCAMFHEDHI-RBUKOAKNSA-N 2 1 329.532 4.059 20 10 EICDMP C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001201946482 1054963014 /nfs/dbraw/zinc/96/30/14/1054963014.db2.gz FESZYIKSGKQCQJ-AZUAARDMSA-N 2 1 341.543 4.029 20 10 EICDMP Cc1cc(O)c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1C(C)C ZINC000742169548 1058531731 /nfs/dbraw/zinc/53/17/31/1058531731.db2.gz SOASFORPSCJXLK-GOSISDBHSA-N 2 1 330.516 4.132 20 10 EICDMP CCc1cc(C[N@@H+]2CC[C@H](C[NH+](CC)CC)C2)c(O)c(C(C)(C)C)c1 ZINC000743387006 1058969251 /nfs/dbraw/zinc/96/92/51/1058969251.db2.gz CGFLQFASZGHNEC-GOSISDBHSA-N 2 1 346.559 4.416 20 10 EICDMP Cc1ccc([C@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)c(O)c1 ZINC000379627303 1059650214 /nfs/dbraw/zinc/65/02/14/1059650214.db2.gz HUAXTOVWLJUSJH-ROUUACIJSA-N 2 1 326.484 4.262 20 10 EICDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000729682930 1032144369 /nfs/dbraw/zinc/14/43/69/1032144369.db2.gz UUMJXRSTCIXHJI-GOSISDBHSA-N 2 1 338.495 4.269 20 10 EICDMP C[C@@H](c1ccccc1)[N@@H+](CCCn1ccnc1)Cc1ccccc1O ZINC000179647626 1022363666 /nfs/dbraw/zinc/36/36/66/1022363666.db2.gz TZLMQSASIPRUAV-SFHVURJKSA-N 2 1 335.451 4.242 20 10 EICDMP Cc1ccc(O)c(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000311203217 1023000728 /nfs/dbraw/zinc/00/07/28/1023000728.db2.gz ILHRHRSHLCMULY-HXUWFJFHSA-N 2 1 338.495 4.093 20 10 EICDMP C[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000310992633 1023497546 /nfs/dbraw/zinc/49/75/46/1023497546.db2.gz IAMQMNPBVICZFM-KKSFZXQISA-N 2 1 342.458 4.094 20 10 EICDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000161715619 1028749348 /nfs/dbraw/zinc/74/93/48/1028749348.db2.gz ZFRAYGBPSBKGGE-SFHVURJKSA-N 2 1 339.527 4.444 20 10 EICDMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000840808555 1029397425 /nfs/dbraw/zinc/39/74/25/1029397425.db2.gz MGTWNXLVQKGUDY-RTBURBONSA-N 2 1 329.532 4.059 20 10 EICDMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2O)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168064916 1029635723 /nfs/dbraw/zinc/63/57/23/1029635723.db2.gz SFLBKFUGQSOQTD-RMFSNUHRSA-N 2 1 338.495 4.266 20 10 EICDMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2O)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064916 1029635726 /nfs/dbraw/zinc/63/57/26/1029635726.db2.gz SFLBKFUGQSOQTD-RMFSNUHRSA-N 2 1 338.495 4.266 20 10 EICDMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2O)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064916 1029635730 /nfs/dbraw/zinc/63/57/30/1029635730.db2.gz SFLBKFUGQSOQTD-RMFSNUHRSA-N 2 1 338.495 4.266 20 10 EICDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1ccccc1O ZINC000248390964 1033846205 /nfs/dbraw/zinc/84/62/05/1033846205.db2.gz UNQUMBBENRJMAS-ZWKOTPCHSA-N 2 1 338.495 4.475 20 10 EICDMP Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551175216 1040022594 /nfs/dbraw/zinc/02/25/94/1040022594.db2.gz IMICQACOYZXJSM-KNQAVFIVSA-N 2 1 347.506 4.412 20 10 EICDMP Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551175216 1040022618 /nfs/dbraw/zinc/02/26/18/1040022618.db2.gz IMICQACOYZXJSM-KNQAVFIVSA-N 2 1 347.506 4.412 20 10 EICDMP CN(C)c1ccc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)cc1F ZINC000733325975 1044190868 /nfs/dbraw/zinc/19/08/68/1044190868.db2.gz BMGBQGWYLLDSHL-UHFFFAOYSA-N 2 1 347.522 4.026 20 10 EICDMP Cc1cc(O)c(C[N@H+](C)C2CCN(Cc3ccccc3)CC2)cc1C ZINC000740758839 1045213430 /nfs/dbraw/zinc/21/34/30/1045213430.db2.gz FOKTVBGDGZMVCL-UHFFFAOYSA-N 2 1 338.495 4.105 20 10 EICDMP Cc1cc(O)c(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000740758839 1045213438 /nfs/dbraw/zinc/21/34/38/1045213438.db2.gz FOKTVBGDGZMVCL-UHFFFAOYSA-N 2 1 338.495 4.105 20 10 EICDMP Cc1cc(O)c(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000740758839 1045213447 /nfs/dbraw/zinc/21/34/47/1045213447.db2.gz FOKTVBGDGZMVCL-UHFFFAOYSA-N 2 1 338.495 4.105 20 10 EICDMP Cc1ccc(O)c(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000769385375 1045945433 /nfs/dbraw/zinc/94/54/33/1045945433.db2.gz WFWKOCNGTBNNQZ-WIYYLYMNSA-N 2 1 338.495 4.186 20 10 EICDMP Cc1ccc(O)c(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000769385375 1045945473 /nfs/dbraw/zinc/94/54/73/1045945473.db2.gz WFWKOCNGTBNNQZ-WIYYLYMNSA-N 2 1 338.495 4.186 20 10 EICDMP Cc1ccc(O)c(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000769385375 1045945413 /nfs/dbraw/zinc/94/54/13/1045945413.db2.gz WFWKOCNGTBNNQZ-WIYYLYMNSA-N 2 1 338.495 4.186 20 10 EICDMP Cc1ccc(O)c(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000769385375 1045945450 /nfs/dbraw/zinc/94/54/50/1045945450.db2.gz WFWKOCNGTBNNQZ-WIYYLYMNSA-N 2 1 338.495 4.186 20 10 EICDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000769509367 1046002668 /nfs/dbraw/zinc/00/26/68/1046002668.db2.gz XAKQOZBGXXJEOL-SFHVURJKSA-N 2 1 338.495 4.223 20 10 EICDMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000769509367 1046002685 /nfs/dbraw/zinc/00/26/85/1046002685.db2.gz XAKQOZBGXXJEOL-SFHVURJKSA-N 2 1 338.495 4.223 20 10 EICDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000769509367 1046002703 /nfs/dbraw/zinc/00/27/03/1046002703.db2.gz XAKQOZBGXXJEOL-SFHVURJKSA-N 2 1 338.495 4.223 20 10 EICDMP Cc1cc(O)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1C(C)C ZINC000772828685 1046163665 /nfs/dbraw/zinc/16/36/65/1046163665.db2.gz PFAGSLWRNNNNGB-UTKZUKDTSA-N 2 1 342.527 4.273 20 10 EICDMP Cc1cc(O)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C(C)C ZINC000772828685 1046163674 /nfs/dbraw/zinc/16/36/74/1046163674.db2.gz PFAGSLWRNNNNGB-UTKZUKDTSA-N 2 1 342.527 4.273 20 10 EICDMP Cc1cc(O)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1C(C)C ZINC000772828685 1046163681 /nfs/dbraw/zinc/16/36/81/1046163681.db2.gz PFAGSLWRNNNNGB-UTKZUKDTSA-N 2 1 342.527 4.273 20 10 EICDMP C[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000310992626 1046195357 /nfs/dbraw/zinc/19/53/57/1046195357.db2.gz IAMQMNPBVICZFM-HRAATJIYSA-N 2 1 342.458 4.094 20 10 EICDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1c(O)cccc1Cl ZINC000809739607 1048509296 /nfs/dbraw/zinc/50/92/96/1048509296.db2.gz PPTPEMLDYDRVMR-UHFFFAOYSA-N 2 1 332.875 4.129 20 10 EICDMP C[N@@H+](Cc1ccc(N2CCCC2)cc1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171635969 1049777836 /nfs/dbraw/zinc/77/78/36/1049777836.db2.gz AXZDAQNHLHYPTP-UHFFFAOYSA-N 2 1 343.559 4.370 20 10 EICDMP C[C@@H]([NH2+]Cc1ccc(Cl)cc1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001180348887 1050961985 /nfs/dbraw/zinc/96/19/85/1050961985.db2.gz FJGHHOBGFROLPT-CRAIPNDOSA-N 2 1 344.886 4.046 20 10 EICDMP C[C@@H]([NH2+]Cc1ccc(Cl)cc1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001180348887 1050962000 /nfs/dbraw/zinc/96/20/00/1050962000.db2.gz FJGHHOBGFROLPT-CRAIPNDOSA-N 2 1 344.886 4.046 20 10 EICDMP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc(Cl)c(Cl)cc1O ZINC000774356853 1051575267 /nfs/dbraw/zinc/57/52/67/1051575267.db2.gz XPRUIJAZHBMZAG-LLVKDONJSA-N 2 1 331.287 4.082 20 10 EICDMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)cc1O ZINC000184905450 1052301901 /nfs/dbraw/zinc/30/19/01/1052301901.db2.gz QRHSVCMHDSGVPP-INIZCTEOSA-N 2 1 342.458 4.368 20 10 EICDMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(O)c1C ZINC000794829134 1053440408 /nfs/dbraw/zinc/44/04/08/1053440408.db2.gz STQUVLSVKQMRIY-QUCCMNQESA-N 2 1 338.495 4.182 20 10 EICDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCCCCC3)cc2)C1 ZINC000765292653 1053498737 /nfs/dbraw/zinc/49/87/37/1053498737.db2.gz WYMVORXCVBHMQA-PMACEKPBSA-N 2 1 343.559 4.450 20 10 EICDMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1O ZINC000877758077 1055116691 /nfs/dbraw/zinc/11/66/91/1055116691.db2.gz HXDGGQOUAOSQCE-PKOBYXMFSA-N 2 1 336.479 4.240 20 10 EICDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1O ZINC000877758077 1055116705 /nfs/dbraw/zinc/11/67/05/1055116705.db2.gz HXDGGQOUAOSQCE-PKOBYXMFSA-N 2 1 336.479 4.240 20 10 EICDMP Cc1ccc(O)c([C@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000379616838 1059609064 /nfs/dbraw/zinc/60/90/64/1059609064.db2.gz CZNJSIYIEVTEOP-ROUUACIJSA-N 2 1 326.484 4.262 20 10 EICDMP C[C@@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1cc(F)ccc1O ZINC000379643761 1059708620 /nfs/dbraw/zinc/70/86/20/1059708620.db2.gz GBOBYXFWNHERPV-HZPDHXFCSA-N 2 1 330.447 4.093 20 10 EICDMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000310963866 1032741142 /nfs/dbraw/zinc/74/11/42/1032741142.db2.gz BJISQJOQIZGYLG-QUCCMNQESA-N 2 1 338.495 4.345 20 10 EICDMP CCN(Cc1ccccc1)c1ccc(C[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000748095561 1020304054 /nfs/dbraw/zinc/30/40/54/1020304054.db2.gz IRQFTVUNMXVVFM-UHFFFAOYSA-N 2 1 348.494 4.008 20 10 EICDMP Cc1ccc([C@H](C)[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(O)c1 ZINC000311001915 1022810971 /nfs/dbraw/zinc/81/09/71/1022810971.db2.gz JTMUDQQFUFLIHG-AVRDEDQJSA-N 2 1 338.495 4.263 20 10 EICDMP Cc1ccc(O)c([C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000185003223 1022989651 /nfs/dbraw/zinc/98/96/51/1022989651.db2.gz ZYNUBUWBWDYRLX-SFHVURJKSA-N 2 1 338.495 4.058 20 10 EICDMP C[N@@H+](Cc1c(O)ccc2ccccc21)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377692480 1023691793 /nfs/dbraw/zinc/69/17/93/1023691793.db2.gz ITKSTEJZTJFGMO-UHFFFAOYSA-N 2 1 347.462 4.041 20 10 EICDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000178695173 1033624876 /nfs/dbraw/zinc/62/48/76/1033624876.db2.gz IVUHZNCHBNXYAX-ZWKOTPCHSA-N 2 1 340.515 4.169 20 10 EICDMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc2ccccc2c1O ZINC000323861758 1035718993 /nfs/dbraw/zinc/71/89/93/1035718993.db2.gz PAMUCUUFSBLOCP-DLBZAZTESA-N 2 1 326.484 4.461 20 10 EICDMP CCCN(CCC)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000727644355 1043256046 /nfs/dbraw/zinc/25/60/46/1043256046.db2.gz BNCAKIOERRKCTC-LEWJYISDSA-N 2 1 329.532 4.029 20 10 EICDMP CCCN(CCC)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000727644355 1043256051 /nfs/dbraw/zinc/25/60/51/1043256051.db2.gz BNCAKIOERRKCTC-LEWJYISDSA-N 2 1 329.532 4.029 20 10 EICDMP Cc1cc(O)c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1C(C)C ZINC000738268975 1045047824 /nfs/dbraw/zinc/04/78/24/1045047824.db2.gz FOCUFPTVPRHVTB-IBGZPJMESA-N 2 1 330.516 4.274 20 10 EICDMP C[C@@H]1C[C@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CC[N@@H+]1C ZINC000815583955 1048522972 /nfs/dbraw/zinc/52/29/72/1048522972.db2.gz RTCLNYGZVXWRFH-QFUCXCTJSA-N 2 1 338.495 4.138 20 10 EICDMP C[C@@H]1C[C@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CC[N@H+]1C ZINC000815583955 1048522979 /nfs/dbraw/zinc/52/29/79/1048522979.db2.gz RTCLNYGZVXWRFH-QFUCXCTJSA-N 2 1 338.495 4.138 20 10 EICDMP Oc1c(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc2ccccc21 ZINC000816594427 1048832259 /nfs/dbraw/zinc/83/22/59/1048832259.db2.gz CTLYIHSHUBKNNI-LJQANCHMSA-N 2 1 346.474 4.157 20 10 EICDMP CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000773076549 1049567983 /nfs/dbraw/zinc/56/79/83/1049567983.db2.gz ODOMQSSITKGDTM-MOPGFXCFSA-N 2 1 331.548 4.161 20 10 EICDMP Oc1ccccc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172060499 1049842001 /nfs/dbraw/zinc/84/20/01/1049842001.db2.gz ATEKAMYXYASFHP-MZADTFQBSA-N 2 1 336.479 4.068 20 10 EICDMP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(O)c1 ZINC001180289287 1050955105 /nfs/dbraw/zinc/95/51/05/1050955105.db2.gz YSEZUMSMUVTSEQ-RXVVDRJESA-N 2 1 338.495 4.186 20 10 EICDMP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(O)c1 ZINC001180289287 1050955115 /nfs/dbraw/zinc/95/51/15/1050955115.db2.gz YSEZUMSMUVTSEQ-RXVVDRJESA-N 2 1 338.495 4.186 20 10 EICDMP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c(O)c1 ZINC001180289287 1050955127 /nfs/dbraw/zinc/95/51/27/1050955127.db2.gz YSEZUMSMUVTSEQ-RXVVDRJESA-N 2 1 338.495 4.186 20 10 EICDMP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c(O)c1 ZINC001180289287 1050955138 /nfs/dbraw/zinc/95/51/38/1050955138.db2.gz YSEZUMSMUVTSEQ-RXVVDRJESA-N 2 1 338.495 4.186 20 10 EICDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000185546520 1052635460 /nfs/dbraw/zinc/63/54/60/1052635460.db2.gz KGPHZTMYYJQCJB-FTRWYGJKSA-N 2 1 344.524 4.496 20 10 EICDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000185546520 1052635463 /nfs/dbraw/zinc/63/54/63/1052635463.db2.gz KGPHZTMYYJQCJB-FTRWYGJKSA-N 2 1 344.524 4.496 20 10 EICDMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1cc(F)ccc1O ZINC000185546843 1052636393 /nfs/dbraw/zinc/63/63/93/1052636393.db2.gz ZGCHANKRUBEJDZ-NJSLBKSFSA-N 2 1 348.487 4.327 20 10 EICDMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1cc(F)ccc1O ZINC000185546843 1052636397 /nfs/dbraw/zinc/63/63/97/1052636397.db2.gz ZGCHANKRUBEJDZ-NJSLBKSFSA-N 2 1 348.487 4.327 20 10 EICDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(O)c1 ZINC000185658728 1052666687 /nfs/dbraw/zinc/66/66/87/1052666687.db2.gz OMMRERIDZPWGKA-WSTZPKSXSA-N 2 1 338.495 4.404 20 10 EICDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(O)c1 ZINC000185658728 1052666691 /nfs/dbraw/zinc/66/66/91/1052666691.db2.gz OMMRERIDZPWGKA-WSTZPKSXSA-N 2 1 338.495 4.404 20 10 EICDMP CCCC[C@H](CCC)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001200910581 1054573623 /nfs/dbraw/zinc/57/36/23/1054573623.db2.gz GTRNIYPBDUYMMG-SFHVURJKSA-N 2 1 335.511 4.026 20 10 EICDMP Cc1cccc(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1O ZINC000776251835 1055057318 /nfs/dbraw/zinc/05/73/18/1055057318.db2.gz DLHXMIFIXDHADO-AZUAARDMSA-N 2 1 338.495 4.091 20 10 EICDMP CCN(C)c1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+](C)CC)c2)cc1 ZINC000765776411 1055113686 /nfs/dbraw/zinc/11/36/86/1055113686.db2.gz PSVPTUAHVJKOLH-SFHVURJKSA-N 2 1 339.527 4.445 20 10 EICDMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000765784608 1055303292 /nfs/dbraw/zinc/30/32/92/1055303292.db2.gz SJEQBRPAXWJYBT-WOJBJXKFSA-N 2 1 343.559 4.448 20 10 EICDMP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311038625 1022826228 /nfs/dbraw/zinc/82/62/28/1022826228.db2.gz DSSMFDLBNLQJJP-SOLBZPMBSA-N 2 1 342.458 4.093 20 10 EICDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000363870730 1022875167 /nfs/dbraw/zinc/87/51/67/1022875167.db2.gz YHOKJFBPHPSZNU-QMTMVMCOSA-N 2 1 330.497 4.106 20 10 EICDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000363870730 1022875169 /nfs/dbraw/zinc/87/51/69/1022875169.db2.gz YHOKJFBPHPSZNU-QMTMVMCOSA-N 2 1 330.497 4.106 20 10 EICDMP Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423086088 1037945788 /nfs/dbraw/zinc/94/57/88/1037945788.db2.gz MJLXSNVIAQPNSA-AZUAARDMSA-N 2 1 333.479 4.070 20 10 EICDMP Cc1cc(O)c(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1C ZINC000738107826 1045040675 /nfs/dbraw/zinc/04/06/75/1045040675.db2.gz OQKFPQSDIKYFEG-OALUTQOASA-N 2 1 330.516 4.095 20 10 EICDMP Cc1cc(O)c(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1C ZINC000738107826 1045040687 /nfs/dbraw/zinc/04/06/87/1045040687.db2.gz OQKFPQSDIKYFEG-OALUTQOASA-N 2 1 330.516 4.095 20 10 EICDMP Cc1cc(O)c(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1C ZINC000738107826 1045040697 /nfs/dbraw/zinc/04/06/97/1045040697.db2.gz OQKFPQSDIKYFEG-OALUTQOASA-N 2 1 330.516 4.095 20 10 EICDMP CCCN(CCC)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000915682839 1045446688 /nfs/dbraw/zinc/44/66/88/1045446688.db2.gz SAVUBUVMSYZVMF-CTNGQTDRSA-N 2 1 329.532 4.029 20 10 EICDMP Cc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)n1-c1cccc(C)c1 ZINC000915683210 1045448104 /nfs/dbraw/zinc/44/81/04/1045448104.db2.gz PDZIYIFKXAZKBO-NHCUHLMSSA-N 2 1 337.511 4.119 20 10 EICDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccccc3)ccc2O)C[C@H]1C ZINC000769469619 1045987357 /nfs/dbraw/zinc/98/73/57/1045987357.db2.gz BRJMWTDZIACZDY-DYESRHJHSA-N 2 1 338.495 4.364 20 10 EICDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(-c3ccccc3)ccc2O)C[C@H]1C ZINC000769469619 1045987389 /nfs/dbraw/zinc/98/73/89/1045987389.db2.gz BRJMWTDZIACZDY-DYESRHJHSA-N 2 1 338.495 4.364 20 10 EICDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(-c3ccccc3)ccc2O)C[C@H]1C ZINC000769469619 1045987377 /nfs/dbraw/zinc/98/73/77/1045987377.db2.gz BRJMWTDZIACZDY-DYESRHJHSA-N 2 1 338.495 4.364 20 10 EICDMP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)CC1 ZINC000815576663 1048518077 /nfs/dbraw/zinc/51/80/77/1048518077.db2.gz VYGOBATZHNZEHM-ZDUSSCGKSA-N 2 1 344.421 4.184 20 10 EICDMP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)CC1 ZINC000815583785 1048521923 /nfs/dbraw/zinc/52/19/23/1048521923.db2.gz OFVCMCSHZQQGCD-ZDUSSCGKSA-N 2 1 344.421 4.184 20 10 EICDMP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1cccc(C(F)(F)F)c1O ZINC000815647166 1048570430 /nfs/dbraw/zinc/57/04/30/1048570430.db2.gz BBAHNLDESVXWGP-AWEZNQCLSA-N 2 1 344.421 4.328 20 10 EICDMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(C(F)(F)F)cc1O ZINC000810211680 1048680601 /nfs/dbraw/zinc/68/06/01/1048680601.db2.gz UYWUZZCLKZZTLY-HNNXBMFYSA-N 2 1 341.377 4.047 20 10 EICDMP CCCn1ccnc1CCC[N@@H+](C)Cc1ccc2ccccc2c1O ZINC000816611798 1048843499 /nfs/dbraw/zinc/84/34/99/1048843499.db2.gz XJAOSRMZZCJYOY-UHFFFAOYSA-N 2 1 337.467 4.217 20 10 EICDMP C[C@@H](c1ccccc1)[N@H+](CCCc1c[nH+]cn1C)Cc1ccccc1O ZINC000846839431 1048918616 /nfs/dbraw/zinc/91/86/16/1048918616.db2.gz FCUITGSKPKPNFA-SFHVURJKSA-N 2 1 349.478 4.322 20 10 EICDMP C[C@@H](c1ccccc1)[N@@H+](CCCc1c[nH+]cn1C)Cc1ccccc1O ZINC000846839431 1048918643 /nfs/dbraw/zinc/91/86/43/1048918643.db2.gz FCUITGSKPKPNFA-SFHVURJKSA-N 2 1 349.478 4.322 20 10 EICDMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000180404574 1049889790 /nfs/dbraw/zinc/88/97/90/1049889790.db2.gz CADYKVJXSSORSQ-KRWDZBQOSA-N 2 1 347.522 4.339 20 10 EICDMP CC[N@@H+](CCC[NH2+]C/C=C\c1ccc(N(C)C)cc1)C1CCCCC1 ZINC001179090692 1050630360 /nfs/dbraw/zinc/63/03/60/1050630360.db2.gz IBFAXHVDJXCKBO-NTMALXAHSA-N 2 1 343.559 4.400 20 10 EICDMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])C1 ZINC000774160784 1051488492 /nfs/dbraw/zinc/48/84/92/1051488492.db2.gz BDMWMNYXOOHWDL-CHWSQXEVSA-N 2 1 345.314 4.470 20 10 EICDMP Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000185658522 1052666555 /nfs/dbraw/zinc/66/65/55/1052666555.db2.gz UJPPULHSMWNBEM-HBFSDRIKSA-N 2 1 338.495 4.404 20 10 EICDMP Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000185658522 1052666561 /nfs/dbraw/zinc/66/65/61/1052666561.db2.gz UJPPULHSMWNBEM-HBFSDRIKSA-N 2 1 338.495 4.404 20 10 EICDMP C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001201946483 1054962180 /nfs/dbraw/zinc/96/21/80/1054962180.db2.gz FESZYIKSGKQCQJ-ICSRJNTNSA-N 2 1 341.543 4.029 20 10 EICDMP CCc1cc(C[NH+]2CC[C@H](C[N@H+](C)CC)C2)c(O)c(C(C)(C)C)c1 ZINC000743398459 1058981038 /nfs/dbraw/zinc/98/10/38/1058981038.db2.gz FPTOGZBAQLBEPU-QGZVFWFLSA-N 2 1 332.532 4.026 20 10 EICDMP CCc1cc(C[N@H+]2CC[C@H](C[NH+](C)CC)C2)c(O)c(C(C)(C)C)c1 ZINC000743398459 1058981058 /nfs/dbraw/zinc/98/10/58/1058981058.db2.gz FPTOGZBAQLBEPU-QGZVFWFLSA-N 2 1 332.532 4.026 20 10 EICDMP CCc1cc(C[N@@H+]2CC[C@H](C[NH+](C)CC)C2)c(O)c(C(C)(C)C)c1 ZINC000743398459 1058981077 /nfs/dbraw/zinc/98/10/77/1058981077.db2.gz FPTOGZBAQLBEPU-QGZVFWFLSA-N 2 1 332.532 4.026 20 10 EICDMP Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000310807620 1022393431 /nfs/dbraw/zinc/39/34/31/1022393431.db2.gz HZTJGHJQKNHAIZ-CMKODMSKSA-N 2 1 338.495 4.262 20 10 EICDMP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000310901391 1022570647 /nfs/dbraw/zinc/57/06/47/1022570647.db2.gz MVAMSXCFCWQUQB-QUCCMNQESA-N 2 1 338.495 4.263 20 10 EICDMP C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310905354 1022576351 /nfs/dbraw/zinc/57/63/51/1022576351.db2.gz BUFPZXDHOOSJSS-SOLBZPMBSA-N 2 1 342.458 4.093 20 10 EICDMP C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310905354 1022576370 /nfs/dbraw/zinc/57/63/70/1022576370.db2.gz BUFPZXDHOOSJSS-SOLBZPMBSA-N 2 1 342.458 4.093 20 10 EICDMP Cc1ccc([C@H](C)[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(O)c1 ZINC000311001917 1022811977 /nfs/dbraw/zinc/81/19/77/1022811977.db2.gz JTMUDQQFUFLIHG-PGRDOPGGSA-N 2 1 338.495 4.263 20 10 EICDMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000158186231 1026554589 /nfs/dbraw/zinc/55/45/89/1026554589.db2.gz IJMADYJRUCMWKC-OALUTQOASA-N 2 1 329.532 4.059 20 10 EICDMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCCCCC3)cc2)C1 ZINC000163281351 1029980720 /nfs/dbraw/zinc/98/07/20/1029980720.db2.gz PYDNASLGUYXKOY-RBUKOAKNSA-N 2 1 329.532 4.059 20 10 EICDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000185676097 1030215634 /nfs/dbraw/zinc/21/56/34/1030215634.db2.gz SLXUHVBPFLQPEW-KGLIPLIRSA-N 2 1 339.414 4.437 20 10 EICDMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc2ccccc2c1O ZINC000323861762 1035717962 /nfs/dbraw/zinc/71/79/62/1035717962.db2.gz PAMUCUUFSBLOCP-IRXDYDNUSA-N 2 1 326.484 4.461 20 10 EICDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccccc3)ccc2O)C[C@@H]1C ZINC000769469623 1045984990 /nfs/dbraw/zinc/98/49/90/1045984990.db2.gz BRJMWTDZIACZDY-LAUBAEHRSA-N 2 1 338.495 4.364 20 10 EICDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(-c3ccccc3)ccc2O)C[C@@H]1C ZINC000769469623 1045985014 /nfs/dbraw/zinc/98/50/14/1045985014.db2.gz BRJMWTDZIACZDY-LAUBAEHRSA-N 2 1 338.495 4.364 20 10 EICDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(-c3ccccc3)ccc2O)C[C@@H]1C ZINC000769469623 1045985002 /nfs/dbraw/zinc/98/50/02/1045985002.db2.gz BRJMWTDZIACZDY-LAUBAEHRSA-N 2 1 338.495 4.364 20 10 EICDMP CC[NH+]1CCC(C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)CC1 ZINC000774165697 1051491126 /nfs/dbraw/zinc/49/11/26/1051491126.db2.gz RKXPQCYMJURQQN-LLVKDONJSA-N 2 1 331.287 4.082 20 10 EICDMP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(C)cc1O ZINC000794819314 1053434572 /nfs/dbraw/zinc/43/45/72/1053434572.db2.gz UQHLJOPMNHZVLW-ZWOKBUDYSA-N 2 1 330.516 4.394 20 10 EICDMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C)cc1O ZINC000794826704 1053439661 /nfs/dbraw/zinc/43/96/61/1053439661.db2.gz CXCYDADVWZBXHC-FPOVZHCZSA-N 2 1 338.495 4.263 20 10 EICDMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(N3CCCCCC3)cc2)C1 ZINC000765292681 1053498653 /nfs/dbraw/zinc/49/86/53/1053498653.db2.gz WYMVORXCVBHMQA-WOJBJXKFSA-N 2 1 343.559 4.450 20 10 EICDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C3CCCCC3)cc2)CC[N@H+]1C ZINC000765446023 1053551691 /nfs/dbraw/zinc/55/16/91/1053551691.db2.gz PEYOMIRFWBLMGB-PKOBYXMFSA-N 2 1 329.532 4.028 20 10 EICDMP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC001199321138 1054393269 /nfs/dbraw/zinc/39/32/69/1054393269.db2.gz WAHXJEJPJLTLJA-KBPBESRZSA-N 2 1 342.886 4.032 20 10 EICDMP CCCC[C@@H](CCC)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001200910571 1054573810 /nfs/dbraw/zinc/57/38/10/1054573810.db2.gz GTRNIYPBDUYMMG-GOSISDBHSA-N 2 1 335.511 4.026 20 10 EICDMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1O ZINC000877758076 1055117935 /nfs/dbraw/zinc/11/79/35/1055117935.db2.gz HXDGGQOUAOSQCE-HKUYNNGSSA-N 2 1 336.479 4.240 20 10 EICDMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1O ZINC000877758076 1055117948 /nfs/dbraw/zinc/11/79/48/1055117948.db2.gz HXDGGQOUAOSQCE-HKUYNNGSSA-N 2 1 336.479 4.240 20 10 EICDMP CC[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000310942361 1022669606 /nfs/dbraw/zinc/66/96/06/1022669606.db2.gz WOHGNINCJZPJFJ-RBBKRZOGSA-N 2 1 338.495 4.345 20 10 EICDMP Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000310807617 1023441618 /nfs/dbraw/zinc/44/16/18/1023441618.db2.gz HZTJGHJQKNHAIZ-BJLQDIEVSA-N 2 1 338.495 4.262 20 10 EICDMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001167825985 1025616305 /nfs/dbraw/zinc/61/63/05/1025616305.db2.gz LYAIXVVZGLUWOU-LJQANCHMSA-N 2 1 331.548 4.229 20 10 EICDMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccccc1O ZINC000183530022 1030010324 /nfs/dbraw/zinc/01/03/24/1030010324.db2.gz IGKXQFPAQINUBS-KHYOSLBOSA-N 2 1 330.497 4.187 20 10 EICDMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccccc1O ZINC000183530022 1030010348 /nfs/dbraw/zinc/01/03/48/1030010348.db2.gz IGKXQFPAQINUBS-KHYOSLBOSA-N 2 1 330.497 4.187 20 10 EICDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000310901386 1031096261 /nfs/dbraw/zinc/09/62/61/1031096261.db2.gz MVAMSXCFCWQUQB-AZUAARDMSA-N 2 1 338.495 4.263 20 10 EICDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000178695164 1033623516 /nfs/dbraw/zinc/62/35/16/1033623516.db2.gz IVUHZNCHBNXYAX-MSOLQXFVSA-N 2 1 340.515 4.169 20 10 EICDMP Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551175210 1040021077 /nfs/dbraw/zinc/02/10/77/1040021077.db2.gz IMICQACOYZXJSM-DENIHFKCSA-N 2 1 347.506 4.412 20 10 EICDMP Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551175210 1040021098 /nfs/dbraw/zinc/02/10/98/1040021098.db2.gz IMICQACOYZXJSM-DENIHFKCSA-N 2 1 347.506 4.412 20 10 EICDMP Cc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C)n1-c1cccc(C)c1 ZINC000915683211 1045447610 /nfs/dbraw/zinc/44/76/10/1045447610.db2.gz PDZIYIFKXAZKBO-RTWAWAEBSA-N 2 1 337.511 4.119 20 10 EICDMP CCCN(CCC)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000915682840 1045447842 /nfs/dbraw/zinc/44/78/42/1045447842.db2.gz SAVUBUVMSYZVMF-FPOVZHCZSA-N 2 1 329.532 4.029 20 10 EICDMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(C(F)(F)F)cc1O ZINC000824988784 1048016205 /nfs/dbraw/zinc/01/62/05/1048016205.db2.gz SUUGXHKIHJHXIF-HUORLRHWSA-N 2 1 342.405 4.077 20 10 EICDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000809753006 1048517843 /nfs/dbraw/zinc/51/78/43/1048517843.db2.gz LKHTYAHDALUQLJ-UHFFFAOYSA-N 2 1 335.451 4.086 20 10 EICDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000809753006 1048517859 /nfs/dbraw/zinc/51/78/59/1048517859.db2.gz LKHTYAHDALUQLJ-UHFFFAOYSA-N 2 1 335.451 4.086 20 10 EICDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2ccc(C(F)(F)F)cc2O)C1 ZINC000810212444 1048682988 /nfs/dbraw/zinc/68/29/88/1048682988.db2.gz BCUAUCKZNUHZJU-BBRMVZONSA-N 2 1 344.421 4.184 20 10 EICDMP CC1CCN(c2ccc(C[NH2+][C@@H]3C[C@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000817901323 1049055366 /nfs/dbraw/zinc/05/53/66/1049055366.db2.gz BTHIOVYBVFMYIE-FCHUYYIVSA-N 2 1 335.495 4.157 20 10 EICDMP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1cccc(C(F)(F)F)c1O ZINC000817962342 1049069321 /nfs/dbraw/zinc/06/93/21/1049069321.db2.gz IASUSLIBYRNJHH-NWDGAFQWSA-N 2 1 338.373 4.282 20 10 EICDMP CCN(CC)c1ccc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1F ZINC001178462429 1050473788 /nfs/dbraw/zinc/47/37/88/1050473788.db2.gz FOVLUMKCYVTMEM-KRWDZBQOSA-N 2 1 335.511 4.026 20 10 EICDMP CCN(C)c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC001191060229 1051337596 /nfs/dbraw/zinc/33/75/96/1051337596.db2.gz ZBQZAPKZYHENMG-FPOVZHCZSA-N 2 1 343.559 4.229 20 10 EICDMP CCN(C)c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC001191060229 1051337604 /nfs/dbraw/zinc/33/76/04/1051337604.db2.gz ZBQZAPKZYHENMG-FPOVZHCZSA-N 2 1 343.559 4.229 20 10 EICDMP CCN(C)c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC001191060229 1051337612 /nfs/dbraw/zinc/33/76/12/1051337612.db2.gz ZBQZAPKZYHENMG-FPOVZHCZSA-N 2 1 343.559 4.229 20 10 EICDMP CCN(C)c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC001191060229 1051337618 /nfs/dbraw/zinc/33/76/18/1051337618.db2.gz ZBQZAPKZYHENMG-FPOVZHCZSA-N 2 1 343.559 4.229 20 10 EICDMP Cc1ccc(O)c([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000185053148 1052379723 /nfs/dbraw/zinc/37/97/23/1052379723.db2.gz XXPGYWOTVBSWER-GOSISDBHSA-N 2 1 338.495 4.324 20 10 EICDMP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000185245421 1052549609 /nfs/dbraw/zinc/54/96/09/1052549609.db2.gz ZUTQJTIWQTZIDD-IAGOWNOFSA-N 2 1 344.524 4.325 20 10 EICDMP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000185245421 1052549613 /nfs/dbraw/zinc/54/96/13/1052549613.db2.gz ZUTQJTIWQTZIDD-IAGOWNOFSA-N 2 1 344.524 4.325 20 10 EICDMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cc(F)ccc1O ZINC000185658812 1052666624 /nfs/dbraw/zinc/66/66/24/1052666624.db2.gz HUFIPQAXUWCIJO-GJYPPUQNSA-N 2 1 342.458 4.235 20 10 EICDMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cc(F)ccc1O ZINC000185658812 1052666627 /nfs/dbraw/zinc/66/66/27/1052666627.db2.gz HUFIPQAXUWCIJO-GJYPPUQNSA-N 2 1 342.458 4.235 20 10 EICDMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(O)c1C ZINC000794829135 1053439756 /nfs/dbraw/zinc/43/97/56/1053439756.db2.gz STQUVLSVKQMRIY-UYAOXDASSA-N 2 1 338.495 4.182 20 10 EICDMP CC[N@@H+](CCC1CC[NH+](Cc2cccc(C)c2O)CC1)CC1CC1 ZINC000775758874 1053840477 /nfs/dbraw/zinc/84/04/77/1053840477.db2.gz DODDPHFERGUVLO-UHFFFAOYSA-N 2 1 330.516 4.035 20 10 EICDMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000858490318 1054498314 /nfs/dbraw/zinc/49/83/14/1054498314.db2.gz GFFVUCAMFHEDHI-MOPGFXCFSA-N 2 1 329.532 4.059 20 10 EICDMP CCN(Cc1ccccc1)c1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000776258794 1055077523 /nfs/dbraw/zinc/07/75/23/1055077523.db2.gz VTJHTUCNSRDGIC-UHFFFAOYSA-N 2 1 349.522 4.065 20 10 EICDMP Cc1cc(O)c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1C(C)C ZINC000742169549 1058529214 /nfs/dbraw/zinc/52/92/14/1058529214.db2.gz SOASFORPSCJXLK-SFHVURJKSA-N 2 1 330.516 4.132 20 10 EICDMP CCc1cc(C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)c(O)c(C(C)(C)C)c1 ZINC000743398458 1058978779 /nfs/dbraw/zinc/97/87/79/1058978779.db2.gz FPTOGZBAQLBEPU-KRWDZBQOSA-N 2 1 332.532 4.026 20 10 EICDMP CCc1cc(C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)c(O)c(C(C)(C)C)c1 ZINC000743398458 1058978797 /nfs/dbraw/zinc/97/87/97/1058978797.db2.gz FPTOGZBAQLBEPU-KRWDZBQOSA-N 2 1 332.532 4.026 20 10 EICDMP CCc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)c(O)c(C(C)(C)C)c1 ZINC000743398458 1058978820 /nfs/dbraw/zinc/97/88/20/1058978820.db2.gz FPTOGZBAQLBEPU-KRWDZBQOSA-N 2 1 332.532 4.026 20 10 EICDMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccc(O)c32)CC[N@@H+]1Cc1ccccc1 ZINC000379641499 1059710181 /nfs/dbraw/zinc/71/01/81/1059710181.db2.gz DABPEDHBYNHZSV-AHRSYUTCSA-N 2 1 336.479 4.022 20 10 EICDMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccc(O)c32)CC[N@H+]1Cc1ccccc1 ZINC000379641499 1059710205 /nfs/dbraw/zinc/71/02/05/1059710205.db2.gz DABPEDHBYNHZSV-AHRSYUTCSA-N 2 1 336.479 4.022 20 10 EICDMP Cc1[nH+]ccn1CC[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000725850266 1021979435 /nfs/dbraw/zinc/97/94/35/1021979435.db2.gz VVBQIEIXZBAKPH-UHFFFAOYSA-N 2 1 343.515 4.282 20 10 EICDMP CC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000310799507 1022284634 /nfs/dbraw/zinc/28/46/34/1022284634.db2.gz GKCCAZLLRIWOCX-QFUCXCTJSA-N 2 1 338.495 4.344 20 10 EICDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1O ZINC000311038626 1022825960 /nfs/dbraw/zinc/82/59/60/1022825960.db2.gz DSSMFDLBNLQJJP-XYJFISCASA-N 2 1 342.458 4.093 20 10 EICDMP Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)c1 ZINC000185192147 1023018613 /nfs/dbraw/zinc/01/86/13/1023018613.db2.gz IDFSNPNXKLRXNF-QGZVFWFLSA-N 2 1 326.484 4.392 20 10 EICDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000248493971 1024081952 /nfs/dbraw/zinc/08/19/52/1024081952.db2.gz KGPHZTMYYJQCJB-RZQQEMMASA-N 2 1 344.524 4.496 20 10 EICDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000248493971 1024081975 /nfs/dbraw/zinc/08/19/75/1024081975.db2.gz KGPHZTMYYJQCJB-RZQQEMMASA-N 2 1 344.524 4.496 20 10 EICDMP C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccccc1O ZINC000895460116 1044758789 /nfs/dbraw/zinc/75/87/89/1044758789.db2.gz JKZPCXNQIXFWSD-MDNKFWRPSA-N 2 1 336.479 4.096 20 10 EICDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccccc3)ccc2O)[C@@H](C)C1 ZINC000769482763 1045969186 /nfs/dbraw/zinc/96/91/86/1045969186.db2.gz DYWYWNIQRSLXSU-LAUBAEHRSA-N 2 1 338.495 4.221 20 10 EICDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(-c3ccccc3)ccc2O)[C@@H](C)C1 ZINC000769482763 1045969210 /nfs/dbraw/zinc/96/92/10/1045969210.db2.gz DYWYWNIQRSLXSU-LAUBAEHRSA-N 2 1 338.495 4.221 20 10 EICDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(-c3ccccc3)ccc2O)[C@@H](C)C1 ZINC000769482763 1045969199 /nfs/dbraw/zinc/96/91/99/1045969199.db2.gz DYWYWNIQRSLXSU-LAUBAEHRSA-N 2 1 338.495 4.221 20 10 EICDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC)c2ccc(C(F)(F)F)cc2O)C1 ZINC000810212447 1048682784 /nfs/dbraw/zinc/68/27/84/1048682784.db2.gz BCUAUCKZNUHZJU-XJKSGUPXSA-N 2 1 344.421 4.184 20 10 EICDMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(O)c1 ZINC001180289288 1050955665 /nfs/dbraw/zinc/95/56/65/1050955665.db2.gz YSEZUMSMUVTSEQ-WIYYLYMNSA-N 2 1 338.495 4.186 20 10 EICDMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(O)c1 ZINC001180289288 1050955679 /nfs/dbraw/zinc/95/56/79/1050955679.db2.gz YSEZUMSMUVTSEQ-WIYYLYMNSA-N 2 1 338.495 4.186 20 10 EICDMP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c(O)c1 ZINC001180289288 1050955690 /nfs/dbraw/zinc/95/56/90/1050955690.db2.gz YSEZUMSMUVTSEQ-WIYYLYMNSA-N 2 1 338.495 4.186 20 10 EICDMP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c(O)c1 ZINC001180289288 1050955702 /nfs/dbraw/zinc/95/57/02/1050955702.db2.gz YSEZUMSMUVTSEQ-WIYYLYMNSA-N 2 1 338.495 4.186 20 10 EICDMP C[C@@H]([NH2+]Cc1ccc(Cl)cc1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001180348889 1050961775 /nfs/dbraw/zinc/96/17/75/1050961775.db2.gz FJGHHOBGFROLPT-QAPCUYQASA-N 2 1 344.886 4.046 20 10 EICDMP C[C@@H]([NH2+]Cc1ccc(Cl)cc1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001180348889 1050961791 /nfs/dbraw/zinc/96/17/91/1050961791.db2.gz FJGHHOBGFROLPT-QAPCUYQASA-N 2 1 344.886 4.046 20 10 EICDMP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cc(Cl)c(Cl)cc1O ZINC000774496439 1051617567 /nfs/dbraw/zinc/61/75/67/1051617567.db2.gz LAHMVVIAWGKIEA-LLVKDONJSA-N 2 1 343.298 4.224 20 10 EICDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185016411 1052369978 /nfs/dbraw/zinc/36/99/78/1052369978.db2.gz ZNGISTCANPORHL-HNNXBMFYSA-N 2 1 330.447 4.222 20 10 EICDMP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(C)cc1O ZINC000794792611 1053388302 /nfs/dbraw/zinc/38/83/02/1053388302.db2.gz GKHSTOMKISLCNQ-NRFANRHFSA-N 2 1 338.495 4.406 20 10 EICDMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C)cc1O ZINC000794826702 1053440186 /nfs/dbraw/zinc/44/01/86/1053440186.db2.gz CXCYDADVWZBXHC-CTNGQTDRSA-N 2 1 338.495 4.263 20 10 EICDMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(Cl)ccc1O ZINC000794827575 1053440319 /nfs/dbraw/zinc/44/03/19/1053440319.db2.gz KXMJLTBMFQSIDQ-DOTOQJQBSA-N 2 1 344.886 4.218 20 10 EICDMP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC001199321142 1054393427 /nfs/dbraw/zinc/39/34/27/1054393427.db2.gz WAHXJEJPJLTLJA-ZIAGYGMSSA-N 2 1 342.886 4.032 20 10 EICDMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000858490319 1054499107 /nfs/dbraw/zinc/49/91/07/1054499107.db2.gz GFFVUCAMFHEDHI-OALUTQOASA-N 2 1 329.532 4.059 20 10 EICDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000765784605 1055303674 /nfs/dbraw/zinc/30/36/74/1055303674.db2.gz SJEQBRPAXWJYBT-UXHICEINSA-N 2 1 343.559 4.448 20 10 EICDMP CC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000310799477 1032522869 /nfs/dbraw/zinc/52/28/69/1032522869.db2.gz GKCCAZLLRIWOCX-CUWPLCDZSA-N 2 1 338.495 4.344 20 10 EICDMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1O ZINC000311038126 1039863254 /nfs/dbraw/zinc/86/32/54/1039863254.db2.gz DSSMFDLBNLQJJP-BQFCYCMXSA-N 2 1 342.458 4.093 20 10 EICDMP Cc1ccc(O)c(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000769385369 1045944897 /nfs/dbraw/zinc/94/48/97/1045944897.db2.gz WFWKOCNGTBNNQZ-NQIIRXRSSA-N 2 1 338.495 4.186 20 10 EICDMP Cc1ccc(O)c(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000769385369 1045944926 /nfs/dbraw/zinc/94/49/26/1045944926.db2.gz WFWKOCNGTBNNQZ-NQIIRXRSSA-N 2 1 338.495 4.186 20 10 EICDMP Cc1ccc(O)c(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000769385369 1045944914 /nfs/dbraw/zinc/94/49/14/1045944914.db2.gz WFWKOCNGTBNNQZ-NQIIRXRSSA-N 2 1 338.495 4.186 20 10 EICDMP Cc1ccc(O)c(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000769385369 1045944938 /nfs/dbraw/zinc/94/49/38/1045944938.db2.gz WFWKOCNGTBNNQZ-NQIIRXRSSA-N 2 1 338.495 4.186 20 10 EICDMP Cc1cc(O)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1C(C)C ZINC000772828686 1046163302 /nfs/dbraw/zinc/16/33/02/1046163302.db2.gz PFAGSLWRNNNNGB-UWJYYQICSA-N 2 1 342.527 4.273 20 10 EICDMP Cc1cc(O)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1C(C)C ZINC000772828686 1046163313 /nfs/dbraw/zinc/16/33/13/1046163313.db2.gz PFAGSLWRNNNNGB-UWJYYQICSA-N 2 1 342.527 4.273 20 10 EICDMP Cc1cc(O)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1C(C)C ZINC000772828686 1046163321 /nfs/dbraw/zinc/16/33/21/1046163321.db2.gz PFAGSLWRNNNNGB-UWJYYQICSA-N 2 1 342.527 4.273 20 10 EICDMP CC[NH+]1CCC([NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000815553517 1048504660 /nfs/dbraw/zinc/50/46/60/1048504660.db2.gz BUXHRHWAJBJOIY-NRFANRHFSA-N 2 1 338.495 4.140 20 10 EICDMP CC[NH+]1CCC(CC[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)CC1 ZINC000815583784 1048523355 /nfs/dbraw/zinc/52/33/55/1048523355.db2.gz OFVCMCSHZQQGCD-CYBMUJFWSA-N 2 1 344.421 4.184 20 10 EICDMP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)cc1 ZINC000817962341 1049068590 /nfs/dbraw/zinc/06/85/90/1049068590.db2.gz IASUSLIBYRNJHH-NEPJUHHUSA-N 2 1 338.373 4.282 20 10 EICDMP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1cc(Cl)c(Cl)cc1O ZINC000817967664 1049072353 /nfs/dbraw/zinc/07/23/53/1049072353.db2.gz AESDAGPAIYMIMB-SNVBAGLBSA-N 2 1 337.250 4.153 20 10 EICDMP Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172115720 1049859324 /nfs/dbraw/zinc/85/93/24/1049859324.db2.gz ZHJFMYNWQJKKBI-OPOADAIRSA-N 2 1 342.527 4.237 20 10 EICDMP Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172115720 1049859328 /nfs/dbraw/zinc/85/93/28/1049859328.db2.gz ZHJFMYNWQJKKBI-OPOADAIRSA-N 2 1 342.527 4.237 20 10 EICDMP C[C@H]([NH2+]Cc1ccc(Cl)cc1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001180348890 1050961651 /nfs/dbraw/zinc/96/16/51/1050961651.db2.gz FJGHHOBGFROLPT-YJBOKZPZSA-N 2 1 344.886 4.046 20 10 EICDMP C[C@H]([NH2+]Cc1ccc(Cl)cc1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001180348890 1050961665 /nfs/dbraw/zinc/96/16/65/1050961665.db2.gz FJGHHOBGFROLPT-YJBOKZPZSA-N 2 1 344.886 4.046 20 10 EICDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N3CCCCC3)c(C)c2)C[C@H]1C ZINC001191418177 1051452771 /nfs/dbraw/zinc/45/27/71/1051452771.db2.gz SDYYPGLDVCZTJY-CTNGQTDRSA-N 2 1 343.559 4.290 20 10 EICDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)C[C@H]1C ZINC001191418177 1051452773 /nfs/dbraw/zinc/45/27/73/1051452773.db2.gz SDYYPGLDVCZTJY-CTNGQTDRSA-N 2 1 343.559 4.290 20 10 EICDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)C[C@H]1C ZINC001191418177 1051452780 /nfs/dbraw/zinc/45/27/80/1051452780.db2.gz SDYYPGLDVCZTJY-CTNGQTDRSA-N 2 1 343.559 4.290 20 10 EICDMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(O)c1 ZINC000185245770 1052549392 /nfs/dbraw/zinc/54/93/92/1052549392.db2.gz GCEKYLBHMQMYCH-IRXDYDNUSA-N 2 1 344.524 4.325 20 10 EICDMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(O)c1 ZINC000185245770 1052549398 /nfs/dbraw/zinc/54/93/98/1052549398.db2.gz GCEKYLBHMQMYCH-IRXDYDNUSA-N 2 1 344.524 4.325 20 10 EICDMP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1O ZINC000186106130 1052880892 /nfs/dbraw/zinc/88/08/92/1052880892.db2.gz OFPWXFGZDYSOPB-OAQYLSRUSA-N 2 1 338.495 4.140 20 10 EICDMP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(C)cc1O ZINC000794792613 1053386232 /nfs/dbraw/zinc/38/62/32/1053386232.db2.gz GKHSTOMKISLCNQ-OAQYLSRUSA-N 2 1 338.495 4.406 20 10 EICDMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(Cl)ccc1O ZINC000794827577 1053439625 /nfs/dbraw/zinc/43/96/25/1053439625.db2.gz KXMJLTBMFQSIDQ-RDJZCZTQSA-N 2 1 344.886 4.218 20 10 EICDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C3CCCCC3)cc2)CC[N@H+]1C ZINC000765446021 1053549830 /nfs/dbraw/zinc/54/98/30/1053549830.db2.gz PEYOMIRFWBLMGB-MJGOQNOKSA-N 2 1 329.532 4.028 20 10 EICDMP Cc1cccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1O ZINC000775688414 1053593192 /nfs/dbraw/zinc/59/31/92/1053593192.db2.gz QZTFTBZSXDOREH-NQIIRXRSSA-N 2 1 338.495 4.186 20 10 EICDMP Cc1cccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1O ZINC000775688414 1053593206 /nfs/dbraw/zinc/59/32/06/1053593206.db2.gz QZTFTBZSXDOREH-NQIIRXRSSA-N 2 1 338.495 4.186 20 10 EICDMP Cc1cccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1O ZINC000775688414 1053593222 /nfs/dbraw/zinc/59/32/22/1053593222.db2.gz QZTFTBZSXDOREH-NQIIRXRSSA-N 2 1 338.495 4.186 20 10 EICDMP Cc1cccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1O ZINC000775688414 1053593239 /nfs/dbraw/zinc/59/32/39/1053593239.db2.gz QZTFTBZSXDOREH-NQIIRXRSSA-N 2 1 338.495 4.186 20 10 EICDMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000123919295 1054330610 /nfs/dbraw/zinc/33/06/10/1054330610.db2.gz QVHGCQQUVLEEBW-QGZVFWFLSA-N 2 1 325.500 4.055 20 10 EICDMP Cc1c2ccccc2n(C)c1C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001199319413 1054391224 /nfs/dbraw/zinc/39/12/24/1054391224.db2.gz BAVASSRUQDEZSC-HDICACEKSA-N 2 1 341.543 4.334 20 10 EICDMP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccccc1O ZINC000877757873 1055113599 /nfs/dbraw/zinc/11/35/99/1055113599.db2.gz XLQYOWFZQOVCRA-PLMTUMEDSA-N 2 1 336.479 4.411 20 10 EICDMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccccc1O ZINC000877757873 1055113605 /nfs/dbraw/zinc/11/36/05/1055113605.db2.gz XLQYOWFZQOVCRA-PLMTUMEDSA-N 2 1 336.479 4.411 20 10 EICDMP Cc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000742169106 1058530485 /nfs/dbraw/zinc/53/04/85/1058530485.db2.gz NTAAUMFCQLNCOQ-GOSISDBHSA-N 2 1 344.543 4.306 20 10 EICDMP CCc1cc(C[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)c(O)c(C(C)(C)C)c1 ZINC000743387008 1058971561 /nfs/dbraw/zinc/97/15/61/1058971561.db2.gz CGFLQFASZGHNEC-SFHVURJKSA-N 2 1 346.559 4.416 20 10 EICDMP CN(c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1)C1CCCCC1 ZINC000166382743 1023099512 /nfs/dbraw/zinc/09/95/12/1023099512.db2.gz CYFTWDCVXARCJW-DENIHFKCSA-N 2 1 341.543 4.172 20 10 EICDMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1O ZINC000183506880 1023374309 /nfs/dbraw/zinc/37/43/09/1023374309.db2.gz GDFBMCBPDSSEFP-OHSMVPPVSA-N 2 1 336.479 4.238 20 10 EICDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1ccccc1O ZINC000248390963 1033846020 /nfs/dbraw/zinc/84/60/20/1033846020.db2.gz UNQUMBBENRJMAS-QZTJIDSGSA-N 2 1 338.495 4.475 20 10 EICDMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000170788917 1036843097 /nfs/dbraw/zinc/84/30/97/1036843097.db2.gz IZLZQQZLHDTEMY-HNNXBMFYSA-N 2 1 330.447 4.224 20 10 EICDMP CCN(CC)c1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000727643571 1043256071 /nfs/dbraw/zinc/25/60/71/1043256071.db2.gz CAUSHEXFNUMJFG-IBGZPJMESA-N 2 1 331.548 4.277 20 10 EICDMP CCC[NH+]1CCC([N@@H+](C)Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000768921159 1045860530 /nfs/dbraw/zinc/86/05/30/1045860530.db2.gz XDUXMPCWZKLPLV-UHFFFAOYSA-N 2 1 338.495 4.365 20 10 EICDMP CC[NH+](Cc1cc(C)ccc1O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000769530886 1046008508 /nfs/dbraw/zinc/00/85/08/1046008508.db2.gz ODUFQEFLKQOXBW-HXUWFJFHSA-N 2 1 338.495 4.045 20 10 EICDMP CC[N@H+](Cc1cc(C)ccc1O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000769530886 1046008492 /nfs/dbraw/zinc/00/84/92/1046008492.db2.gz ODUFQEFLKQOXBW-HXUWFJFHSA-N 2 1 338.495 4.045 20 10 EICDMP CC[NH+](Cc1cc(C)ccc1O)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000769530886 1046008524 /nfs/dbraw/zinc/00/85/24/1046008524.db2.gz ODUFQEFLKQOXBW-HXUWFJFHSA-N 2 1 338.495 4.045 20 10 EICDMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)c1 ZINC000788596660 1047244233 /nfs/dbraw/zinc/24/42/33/1047244233.db2.gz ZQFHWDAITCXGGH-KRWDZBQOSA-N 2 1 326.484 4.312 20 10 EICDMP C[NH+]1CCC2(CCC[N@H+]2Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000789559038 1047442443 /nfs/dbraw/zinc/44/24/43/1047442443.db2.gz IWHRYEGNRBLKKD-UHFFFAOYSA-N 2 1 336.479 4.119 20 10 EICDMP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1cc(Cl)c(Cl)cc1O ZINC000817967663 1049071945 /nfs/dbraw/zinc/07/19/45/1049071945.db2.gz AESDAGPAIYMIMB-JTQLQIEISA-N 2 1 337.250 4.153 20 10 EICDMP CCN(C)c1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000773809301 1050659889 /nfs/dbraw/zinc/65/98/89/1050659889.db2.gz AXGOAUQVZLRUCO-KRWDZBQOSA-N 2 1 348.494 4.488 20 10 EICDMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)ccc1N(C)C ZINC001190827222 1051286595 /nfs/dbraw/zinc/28/65/95/1051286595.db2.gz NCNFCIXUXJNXJD-NRFANRHFSA-N 2 1 343.559 4.149 20 10 EICDMP Oc1cccc2c1[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC000297933865 1052106919 /nfs/dbraw/zinc/10/69/19/1052106919.db2.gz XUIMLBSYNRNHPM-OTYNDTSQSA-N 2 1 348.490 4.165 20 10 EICDMP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1cc(F)ccc1O ZINC000185469873 1052610886 /nfs/dbraw/zinc/61/08/86/1052610886.db2.gz LWFQRFOSBXSWAG-HZPDHXFCSA-N 2 1 342.458 4.408 20 10 EICDMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000764637529 1053242424 /nfs/dbraw/zinc/24/24/24/1053242424.db2.gz FPRDATWMVIHPIJ-QGZVFWFLSA-N 2 1 347.522 4.341 20 10 EICDMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(N2CCCCCC2)cc1 ZINC000764967896 1053402772 /nfs/dbraw/zinc/40/27/72/1053402772.db2.gz YXCRQTJVCARWFX-BWAGFHJFSA-N 2 1 341.543 4.344 20 10 EICDMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(N2CCCCCC2)cc1 ZINC000764967896 1053402782 /nfs/dbraw/zinc/40/27/82/1053402782.db2.gz YXCRQTJVCARWFX-BWAGFHJFSA-N 2 1 341.543 4.344 20 10 EICDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC001199329189 1054392505 /nfs/dbraw/zinc/39/25/05/1054392505.db2.gz PIDLSDGQBVUVHR-BGYRXZFFSA-N 2 1 343.559 4.135 20 10 EICDMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000776010181 1054444071 /nfs/dbraw/zinc/44/40/71/1054444071.db2.gz NAJQZHRKOREDBX-KRWDZBQOSA-N 2 1 335.451 4.161 20 10 EICDMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000776010181 1054444074 /nfs/dbraw/zinc/44/40/74/1054444074.db2.gz NAJQZHRKOREDBX-KRWDZBQOSA-N 2 1 335.451 4.161 20 10 EICDMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)c1ccc(N(C)C)cc1 ZINC000765777777 1055273455 /nfs/dbraw/zinc/27/34/55/1055273455.db2.gz YXRLHZRHEJSOSQ-JOCHJYFZSA-N 2 1 339.527 4.445 20 10 EICDMP CCCN(CCC)c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000742380997 1058580917 /nfs/dbraw/zinc/58/09/17/1058580917.db2.gz UUARGSFIUXDCMV-XDNSSPFJSA-N 2 1 343.559 4.418 20 10 EICDMP C[C@H](CC[NH2+][C@@H](C)c1cc(F)ccc1O)[N@@H+](C)Cc1ccccc1 ZINC000379643758 1059710394 /nfs/dbraw/zinc/71/03/94/1059710394.db2.gz GBOBYXFWNHERPV-CVEARBPZSA-N 2 1 330.447 4.093 20 10 EICDMP Cc1cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000746382964 1060263892 /nfs/dbraw/zinc/26/38/92/1060263892.db2.gz QELJXBZNGHAELT-SFHVURJKSA-N 2 1 344.543 4.162 20 10 EICDMP Cc1cc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000746382964 1060263916 /nfs/dbraw/zinc/26/39/16/1060263916.db2.gz QELJXBZNGHAELT-SFHVURJKSA-N 2 1 344.543 4.162 20 10 EICDMP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000746382964 1060263938 /nfs/dbraw/zinc/26/39/38/1060263938.db2.gz QELJXBZNGHAELT-SFHVURJKSA-N 2 1 344.543 4.162 20 10 EICDMP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)C(C)C)c1ccccc1O ZINC000155130777 1020276459 /nfs/dbraw/zinc/27/64/59/1020276459.db2.gz NOPCHZDRSNAURX-HXUWFJFHSA-N 2 1 326.484 4.473 20 10 EICDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000363870728 1022875648 /nfs/dbraw/zinc/87/56/48/1022875648.db2.gz YHOKJFBPHPSZNU-KHYOSLBOSA-N 2 1 330.497 4.106 20 10 EICDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000363870728 1022875650 /nfs/dbraw/zinc/87/56/50/1022875650.db2.gz YHOKJFBPHPSZNU-KHYOSLBOSA-N 2 1 330.497 4.106 20 10 EICDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000310901388 1023465864 /nfs/dbraw/zinc/46/58/64/1023465864.db2.gz MVAMSXCFCWQUQB-ICSRJNTNSA-N 2 1 338.495 4.263 20 10 EICDMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000164582808 1024660024 /nfs/dbraw/zinc/66/00/24/1024660024.db2.gz IWTSTWLTVRRNNJ-SFHVURJKSA-N 2 1 340.515 4.313 20 10 EICDMP Cc1ccc(O)c(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000769385372 1045945987 /nfs/dbraw/zinc/94/59/87/1045945987.db2.gz WFWKOCNGTBNNQZ-RXVVDRJESA-N 2 1 338.495 4.186 20 10 EICDMP Cc1ccc(O)c(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000769385372 1045946022 /nfs/dbraw/zinc/94/60/22/1045946022.db2.gz WFWKOCNGTBNNQZ-RXVVDRJESA-N 2 1 338.495 4.186 20 10 EICDMP Cc1ccc(O)c(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000769385372 1045946042 /nfs/dbraw/zinc/94/60/42/1045946042.db2.gz WFWKOCNGTBNNQZ-RXVVDRJESA-N 2 1 338.495 4.186 20 10 EICDMP Cc1ccc(O)c(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000769385372 1045946009 /nfs/dbraw/zinc/94/60/09/1045946009.db2.gz WFWKOCNGTBNNQZ-RXVVDRJESA-N 2 1 338.495 4.186 20 10 EICDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc2oc3ccccc3c2cc1O ZINC000746627001 1046892059 /nfs/dbraw/zinc/89/20/59/1046892059.db2.gz JYMCVBCUUQAPJZ-UHFFFAOYSA-N 2 1 349.434 4.319 20 10 EICDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc2oc3ccccc3c2cc1O ZINC000746627001 1046892062 /nfs/dbraw/zinc/89/20/62/1046892062.db2.gz JYMCVBCUUQAPJZ-UHFFFAOYSA-N 2 1 349.434 4.319 20 10 EICDMP Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(O)c1 ZINC000788796733 1047304794 /nfs/dbraw/zinc/30/47/94/1047304794.db2.gz IBGDKFRDFORILG-ICSRJNTNSA-N 2 1 338.495 4.182 20 10 EICDMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(C(F)(F)F)cc1O ZINC000824988876 1048016106 /nfs/dbraw/zinc/01/61/06/1048016106.db2.gz SUUGXHKIHJHXIF-NQKGRLOXSA-N 2 1 342.405 4.077 20 10 EICDMP CC[NH+]1CCC([NH2+][C@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000815553518 1048506356 /nfs/dbraw/zinc/50/63/56/1048506356.db2.gz BUXHRHWAJBJOIY-OAQYLSRUSA-N 2 1 338.495 4.140 20 10 EICDMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cc(Cl)c(Cl)cc1O ZINC000844923272 1048548212 /nfs/dbraw/zinc/54/82/12/1048548212.db2.gz HMWUYSHVLSPSBJ-SECBINFHSA-N 2 1 343.229 4.148 20 10 EICDMP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000844923559 1048549973 /nfs/dbraw/zinc/54/99/73/1048549973.db2.gz IWZHPESAAUSSRR-NSHDSACASA-N 2 1 339.266 4.269 20 10 EICDMP COc1cccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)c1O ZINC000846139912 1048830992 /nfs/dbraw/zinc/83/09/92/1048830992.db2.gz WPGQPVUFPZVTOR-MRXNPFEDSA-N 2 1 342.483 4.092 20 10 EICDMP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cc(Cl)c(Cl)cc1O ZINC000817949733 1049063610 /nfs/dbraw/zinc/06/36/10/1049063610.db2.gz UJAPXONBNPPALN-LLVKDONJSA-N 2 1 339.266 4.051 20 10 EICDMP CCCC[N@@H+](C)CC1CC[NH+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC001180124654 1050892496 /nfs/dbraw/zinc/89/24/96/1050892496.db2.gz KBYYQPIMFUIKBK-BQYQJAHWSA-N 2 1 343.559 4.210 20 10 EICDMP CC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1O ZINC000186106102 1052880922 /nfs/dbraw/zinc/88/09/22/1052880922.db2.gz OFPWXFGZDYSOPB-NRFANRHFSA-N 2 1 338.495 4.140 20 10 EICDMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000764805582 1053316416 /nfs/dbraw/zinc/31/64/16/1053316416.db2.gz GHVCYWGTNSGTHA-KRWDZBQOSA-N 2 1 335.511 4.197 20 10 EICDMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000764805582 1053316432 /nfs/dbraw/zinc/31/64/32/1053316432.db2.gz GHVCYWGTNSGTHA-KRWDZBQOSA-N 2 1 335.511 4.197 20 10 EICDMP Cc1cccc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1O ZINC000776251838 1055057641 /nfs/dbraw/zinc/05/76/41/1055057641.db2.gz DLHXMIFIXDHADO-UYAOXDASSA-N 2 1 338.495 4.091 20 10 EICDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000743388155 1058970959 /nfs/dbraw/zinc/97/09/59/1058970959.db2.gz NSXMOQRYDACZBX-KRWDZBQOSA-N 2 1 332.532 4.162 20 10 EICDMP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)c1ccccc1O ZINC000155304522 1020459425 /nfs/dbraw/zinc/45/94/25/1020459425.db2.gz FNKHJMJYBFFMMO-GOSISDBHSA-N 2 1 339.414 4.266 20 10 EICDMP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000310901394 1022572822 /nfs/dbraw/zinc/57/28/22/1022572822.db2.gz MVAMSXCFCWQUQB-UYAOXDASSA-N 2 1 338.495 4.263 20 10 EICDMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000185053337 1023000226 /nfs/dbraw/zinc/00/02/26/1023000226.db2.gz WZALVANMABCBGX-MRXNPFEDSA-N 2 1 342.458 4.155 20 10 EICDMP CN(c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1)C1CCCCC1 ZINC000166382874 1023099579 /nfs/dbraw/zinc/09/95/79/1023099579.db2.gz CYFTWDCVXARCJW-SIKLNZKXSA-N 2 1 341.543 4.172 20 10 EICDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(C)cc2O)cc1F ZINC000185134900 1030117025 /nfs/dbraw/zinc/11/70/25/1030117025.db2.gz RDYMDAFTIOQZAY-CQSZACIVSA-N 2 1 339.414 4.185 20 10 EICDMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1O ZINC000310905351 1031095162 /nfs/dbraw/zinc/09/51/62/1031095162.db2.gz BUFPZXDHOOSJSS-BQFCYCMXSA-N 2 1 342.458 4.093 20 10 EICDMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1O ZINC000310905351 1031095181 /nfs/dbraw/zinc/09/51/81/1031095181.db2.gz BUFPZXDHOOSJSS-BQFCYCMXSA-N 2 1 342.458 4.093 20 10 EICDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1 ZINC000731041503 1043681416 /nfs/dbraw/zinc/68/14/16/1043681416.db2.gz CPMCZTAMEKJWEF-MRXNPFEDSA-N 2 1 346.559 4.419 20 10 EICDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(C(C)C)c(C)cc1O ZINC000762072432 1044889135 /nfs/dbraw/zinc/88/91/35/1044889135.db2.gz BWAGDBXLTRZUTF-UHFFFAOYSA-N 2 1 343.515 4.495 20 10 EICDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(C(C)C)c(C)cc1O ZINC000762072432 1044889141 /nfs/dbraw/zinc/88/91/41/1044889141.db2.gz BWAGDBXLTRZUTF-UHFFFAOYSA-N 2 1 343.515 4.495 20 10 EICDMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000766165087 1045004164 /nfs/dbraw/zinc/00/41/64/1045004164.db2.gz CKWQLXHBBDBKEW-BJLQDIEVSA-N 2 1 329.532 4.200 20 10 EICDMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000766165087 1045004172 /nfs/dbraw/zinc/00/41/72/1045004172.db2.gz CKWQLXHBBDBKEW-BJLQDIEVSA-N 2 1 329.532 4.200 20 10 EICDMP Cc1cc(O)c(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1C ZINC000738107828 1045042267 /nfs/dbraw/zinc/04/22/67/1045042267.db2.gz OQKFPQSDIKYFEG-RBUKOAKNSA-N 2 1 330.516 4.095 20 10 EICDMP Cc1cc(O)c(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1C ZINC000738107828 1045042277 /nfs/dbraw/zinc/04/22/77/1045042277.db2.gz OQKFPQSDIKYFEG-RBUKOAKNSA-N 2 1 330.516 4.095 20 10 EICDMP Cc1cc(O)c(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1C ZINC000738107828 1045042291 /nfs/dbraw/zinc/04/22/91/1045042291.db2.gz OQKFPQSDIKYFEG-RBUKOAKNSA-N 2 1 330.516 4.095 20 10 EICDMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000768231602 1045758837 /nfs/dbraw/zinc/75/88/37/1045758837.db2.gz UZJASKAPXLWVAA-UHFFFAOYSA-N 2 1 338.495 4.364 20 10 EICDMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000769509365 1046004825 /nfs/dbraw/zinc/00/48/25/1046004825.db2.gz XAKQOZBGXXJEOL-GOSISDBHSA-N 2 1 338.495 4.223 20 10 EICDMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000769509365 1046004862 /nfs/dbraw/zinc/00/48/62/1046004862.db2.gz XAKQOZBGXXJEOL-GOSISDBHSA-N 2 1 338.495 4.223 20 10 EICDMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000769509365 1046004845 /nfs/dbraw/zinc/00/48/45/1046004845.db2.gz XAKQOZBGXXJEOL-GOSISDBHSA-N 2 1 338.495 4.223 20 10 EICDMP CC[N@@H+](CCC1CC[NH+](Cc2cc(C)ccc2O)CC1)CC1CC1 ZINC000770597926 1046233665 /nfs/dbraw/zinc/23/36/65/1046233665.db2.gz SEEAFLKTPMSVMT-UHFFFAOYSA-N 2 1 330.516 4.035 20 10 EICDMP Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000185658487 1052666655 /nfs/dbraw/zinc/66/66/55/1052666655.db2.gz UJPPULHSMWNBEM-WSTZPKSXSA-N 2 1 338.495 4.404 20 10 EICDMP Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000185658487 1052666657 /nfs/dbraw/zinc/66/66/57/1052666657.db2.gz UJPPULHSMWNBEM-WSTZPKSXSA-N 2 1 338.495 4.404 20 10 EICDMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(N2CCCCCC2)cc1 ZINC000764967900 1053401635 /nfs/dbraw/zinc/40/16/35/1053401635.db2.gz YXCRQTJVCARWFX-YUXAGFNASA-N 2 1 341.543 4.344 20 10 EICDMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(N2CCCCCC2)cc1 ZINC000764967900 1053401653 /nfs/dbraw/zinc/40/16/53/1053401653.db2.gz YXCRQTJVCARWFX-YUXAGFNASA-N 2 1 341.543 4.344 20 10 EICDMP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(C)cc1O ZINC000794819308 1053433416 /nfs/dbraw/zinc/43/34/16/1053433416.db2.gz UQHLJOPMNHZVLW-HLIPFELVSA-N 2 1 330.516 4.394 20 10 EICDMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000123771894 1054273313 /nfs/dbraw/zinc/27/33/13/1054273313.db2.gz HCIVMDYEAZNGGG-GOSISDBHSA-N 2 1 337.511 4.068 20 10 EICDMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC001199321140 1054391800 /nfs/dbraw/zinc/39/18/00/1054391800.db2.gz WAHXJEJPJLTLJA-OKILXGFUSA-N 2 1 342.886 4.032 20 10 EICDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC001199321140 1054391804 /nfs/dbraw/zinc/39/18/04/1054391804.db2.gz WAHXJEJPJLTLJA-OKILXGFUSA-N 2 1 342.886 4.032 20 10 EICDMP C[C@H](c1ccccc1)[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccccc1O ZINC000776002541 1054436584 /nfs/dbraw/zinc/43/65/84/1054436584.db2.gz FDLVKUNDHUMBEE-WIYYLYMNSA-N 2 1 338.495 4.440 20 10 EICDMP C[C@H](c1ccccc1)[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1O ZINC000776002541 1054436572 /nfs/dbraw/zinc/43/65/72/1054436572.db2.gz FDLVKUNDHUMBEE-WIYYLYMNSA-N 2 1 338.495 4.440 20 10 EICDMP C[C@H](c1ccccc1)[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1O ZINC000776002541 1054436579 /nfs/dbraw/zinc/43/65/79/1054436579.db2.gz FDLVKUNDHUMBEE-WIYYLYMNSA-N 2 1 338.495 4.440 20 10 EICDMP CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+](C)CC)c2)cc1 ZINC000765776409 1055116339 /nfs/dbraw/zinc/11/63/39/1055116339.db2.gz PSVPTUAHVJKOLH-GOSISDBHSA-N 2 1 339.527 4.445 20 10 EICDMP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1cc(F)ccc1O ZINC000379643763 1059711219 /nfs/dbraw/zinc/71/12/19/1059711219.db2.gz GBOBYXFWNHERPV-JKSUJKDBSA-N 2 1 330.447 4.093 20 10 EICDMP C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(F)cc1O ZINC000186164977 1023102743 /nfs/dbraw/zinc/10/27/43/1023102743.db2.gz YQJJVXOVJCRGHM-FAEJEUNOSA-N 2 1 334.479 4.225 20 10 EICDMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000164582921 1024664435 /nfs/dbraw/zinc/66/44/35/1024664435.db2.gz IWTSTWLTVRRNNJ-GOSISDBHSA-N 2 1 340.515 4.313 20 10 EICDMP COc1ccc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cc1C ZINC000065976543 1031640263 /nfs/dbraw/zinc/64/02/63/1031640263.db2.gz OJTUMFWKRHGVCT-UHFFFAOYSA-N 2 1 326.484 4.134 20 10 EICDMP Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551175217 1040020890 /nfs/dbraw/zinc/02/08/90/1040020890.db2.gz IMICQACOYZXJSM-SIKLNZKXSA-N 2 1 347.506 4.412 20 10 EICDMP Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551175217 1040020908 /nfs/dbraw/zinc/02/09/08/1040020908.db2.gz IMICQACOYZXJSM-SIKLNZKXSA-N 2 1 347.506 4.412 20 10 EICDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1 ZINC000731041502 1043682894 /nfs/dbraw/zinc/68/28/94/1043682894.db2.gz CPMCZTAMEKJWEF-INIZCTEOSA-N 2 1 346.559 4.419 20 10 EICDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000769504240 1046000394 /nfs/dbraw/zinc/00/03/94/1046000394.db2.gz RJECFXBQRHTXNJ-SFHVURJKSA-N 2 1 338.495 4.223 20 10 EICDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000154853902 1047702146 /nfs/dbraw/zinc/70/21/46/1047702146.db2.gz JWPGNFDMJXYPSV-GOSISDBHSA-N 2 1 339.527 4.444 20 10 EICDMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC000825246517 1048058732 /nfs/dbraw/zinc/05/87/32/1048058732.db2.gz BUUZDIQZFUZWOQ-UHFFFAOYSA-N 2 1 332.875 4.096 20 10 EICDMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815561189 1048509512 /nfs/dbraw/zinc/50/95/12/1048509512.db2.gz AMLVQKDHTGFFEU-NRFANRHFSA-N 2 1 349.478 4.251 20 10 EICDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816557794 1048834200 /nfs/dbraw/zinc/83/42/00/1048834200.db2.gz BKWQSPHPWVUWPX-QGZVFWFLSA-N 2 1 326.484 4.003 20 10 EICDMP CC1CCN(c2ccc(C[NH2+][C@H]3C[C@@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000817901326 1049057019 /nfs/dbraw/zinc/05/70/19/1049057019.db2.gz BTHIOVYBVFMYIE-YADHBBJMSA-N 2 1 335.495 4.157 20 10 EICDMP C[N@@H+](Cc1ccccc1O)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171988778 1049832230 /nfs/dbraw/zinc/83/22/30/1049832230.db2.gz UXWLQTVQOSTAPD-HXUWFJFHSA-N 2 1 338.495 4.267 20 10 EICDMP C[NH+](Cc1ccccc1O)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988778 1049832231 /nfs/dbraw/zinc/83/22/31/1049832231.db2.gz UXWLQTVQOSTAPD-HXUWFJFHSA-N 2 1 338.495 4.267 20 10 EICDMP C[NH+](Cc1ccccc1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988778 1049832237 /nfs/dbraw/zinc/83/22/37/1049832237.db2.gz UXWLQTVQOSTAPD-HXUWFJFHSA-N 2 1 338.495 4.267 20 10 EICDMP CCN(CC)c1ccc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001177289278 1050177978 /nfs/dbraw/zinc/17/79/78/1050177978.db2.gz CMYQDXVCWJOBIE-BGYRXZFFSA-N 2 1 345.575 4.381 20 10 EICDMP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(O)c1 ZINC001180289286 1050956632 /nfs/dbraw/zinc/95/66/32/1050956632.db2.gz YSEZUMSMUVTSEQ-NQIIRXRSSA-N 2 1 338.495 4.186 20 10 EICDMP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(O)c1 ZINC001180289286 1050956646 /nfs/dbraw/zinc/95/66/46/1050956646.db2.gz YSEZUMSMUVTSEQ-NQIIRXRSSA-N 2 1 338.495 4.186 20 10 EICDMP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c(O)c1 ZINC001180289286 1050956659 /nfs/dbraw/zinc/95/66/59/1050956659.db2.gz YSEZUMSMUVTSEQ-NQIIRXRSSA-N 2 1 338.495 4.186 20 10 EICDMP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c(O)c1 ZINC001180289286 1050956671 /nfs/dbraw/zinc/95/66/71/1050956671.db2.gz YSEZUMSMUVTSEQ-NQIIRXRSSA-N 2 1 338.495 4.186 20 10 EICDMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccccc1O ZINC000183418590 1051116538 /nfs/dbraw/zinc/11/65/38/1051116538.db2.gz GEBHYSDCBKLJKL-MSOLQXFVSA-N 2 1 338.495 4.475 20 10 EICDMP Cc1cc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)ccc1N1CCCCC1 ZINC001175669966 1051722042 /nfs/dbraw/zinc/72/20/42/1051722042.db2.gz WSGRDESUWIDEES-UHFFFAOYSA-N 2 1 341.543 4.046 20 10 EICDMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(Cl)ccc1O ZINC000794827576 1053440086 /nfs/dbraw/zinc/44/00/86/1053440086.db2.gz KXMJLTBMFQSIDQ-NVXWUHKLSA-N 2 1 344.886 4.218 20 10 EICDMP Cc1cccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1O ZINC000775688412 1053594780 /nfs/dbraw/zinc/59/47/80/1053594780.db2.gz QZTFTBZSXDOREH-GHTZIAJQSA-N 2 1 338.495 4.186 20 10 EICDMP Cc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1O ZINC000775688412 1053594789 /nfs/dbraw/zinc/59/47/89/1053594789.db2.gz QZTFTBZSXDOREH-GHTZIAJQSA-N 2 1 338.495 4.186 20 10 EICDMP Cc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1O ZINC000775688412 1053594803 /nfs/dbraw/zinc/59/48/03/1053594803.db2.gz QZTFTBZSXDOREH-GHTZIAJQSA-N 2 1 338.495 4.186 20 10 EICDMP Cc1cccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1O ZINC000775688412 1053594817 /nfs/dbraw/zinc/59/48/17/1053594817.db2.gz QZTFTBZSXDOREH-GHTZIAJQSA-N 2 1 338.495 4.186 20 10 EICDMP CC[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccccc1O ZINC000379624592 1059617394 /nfs/dbraw/zinc/61/73/94/1059617394.db2.gz DLQDSYZXABMXJC-FXAWDEMLSA-N 2 1 326.484 4.344 20 10 EICDMP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)C(C)C)c1ccccc1O ZINC000155130667 1020277072 /nfs/dbraw/zinc/27/70/72/1020277072.db2.gz NOPCHZDRSNAURX-FQEVSTJZSA-N 2 1 326.484 4.473 20 10 EICDMP Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423086090 1037943725 /nfs/dbraw/zinc/94/37/25/1037943725.db2.gz MJLXSNVIAQPNSA-QUCCMNQESA-N 2 1 333.479 4.070 20 10 EICDMP Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423086089 1037944245 /nfs/dbraw/zinc/94/42/45/1037944245.db2.gz MJLXSNVIAQPNSA-ICSRJNTNSA-N 2 1 333.479 4.070 20 10 EICDMP Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(O)c1 ZINC000311073422 1041252488 /nfs/dbraw/zinc/25/24/88/1041252488.db2.gz KNNOACVXAZUYKK-HBFSDRIKSA-N 2 1 338.495 4.262 20 10 EICDMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccccc1O ZINC000248385396 1045867830 /nfs/dbraw/zinc/86/78/30/1045867830.db2.gz IGKXQFPAQINUBS-YZVOILCLSA-N 2 1 330.497 4.187 20 10 EICDMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccccc1O ZINC000248385396 1045867833 /nfs/dbraw/zinc/86/78/33/1045867833.db2.gz IGKXQFPAQINUBS-YZVOILCLSA-N 2 1 330.497 4.187 20 10 EICDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccccc3)ccc2O)C[C@@H]1C ZINC000769469625 1045986628 /nfs/dbraw/zinc/98/66/28/1045986628.db2.gz BRJMWTDZIACZDY-UWJYYQICSA-N 2 1 338.495 4.364 20 10 EICDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(-c3ccccc3)ccc2O)C[C@@H]1C ZINC000769469625 1045986657 /nfs/dbraw/zinc/98/66/57/1045986657.db2.gz BRJMWTDZIACZDY-UWJYYQICSA-N 2 1 338.495 4.364 20 10 EICDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(-c3ccccc3)ccc2O)C[C@@H]1C ZINC000769469625 1045986640 /nfs/dbraw/zinc/98/66/40/1045986640.db2.gz BRJMWTDZIACZDY-UWJYYQICSA-N 2 1 338.495 4.364 20 10 EICDMP CCCN(CCC)c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000809705206 1048486561 /nfs/dbraw/zinc/48/65/61/1048486561.db2.gz PLPCMYMQGYMSFC-CBQGHPETSA-N 2 1 343.559 4.370 20 10 EICDMP CCCN(CCC)c1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000809705206 1048486577 /nfs/dbraw/zinc/48/65/77/1048486577.db2.gz PLPCMYMQGYMSFC-CBQGHPETSA-N 2 1 343.559 4.370 20 10 EICDMP CCCN(CCC)c1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000809705206 1048486598 /nfs/dbraw/zinc/48/65/98/1048486598.db2.gz PLPCMYMQGYMSFC-CBQGHPETSA-N 2 1 343.559 4.370 20 10 EICDMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccccc1O ZINC001171983388 1049839388 /nfs/dbraw/zinc/83/93/88/1049839388.db2.gz NPJNSUDQKJFVNZ-HKUYNNGSSA-N 2 1 338.495 4.486 20 10 EICDMP CCc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c1O ZINC001180030983 1050861023 /nfs/dbraw/zinc/86/10/23/1050861023.db2.gz RTOCFUXICHEURV-ROUUACIJSA-N 2 1 330.516 4.041 20 10 EICDMP CCc1cccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1O ZINC001180030983 1050861027 /nfs/dbraw/zinc/86/10/27/1050861027.db2.gz RTOCFUXICHEURV-ROUUACIJSA-N 2 1 330.516 4.041 20 10 EICDMP CCc1cccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1O ZINC001180030983 1050861029 /nfs/dbraw/zinc/86/10/29/1050861029.db2.gz RTOCFUXICHEURV-ROUUACIJSA-N 2 1 330.516 4.041 20 10 EICDMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000764805584 1053317707 /nfs/dbraw/zinc/31/77/07/1053317707.db2.gz GHVCYWGTNSGTHA-QGZVFWFLSA-N 2 1 335.511 4.197 20 10 EICDMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000764805584 1053317723 /nfs/dbraw/zinc/31/77/23/1053317723.db2.gz GHVCYWGTNSGTHA-QGZVFWFLSA-N 2 1 335.511 4.197 20 10 EICDMP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(C)cc1O ZINC000794819313 1053434424 /nfs/dbraw/zinc/43/44/24/1053434424.db2.gz UQHLJOPMNHZVLW-UWVAXJGDSA-N 2 1 330.516 4.394 20 10 EICDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000743399494 1058980656 /nfs/dbraw/zinc/98/06/56/1058980656.db2.gz MVQKFDJOEXUNSX-OAHLLOKOSA-N 2 1 338.451 4.065 20 10 EICDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000743399494 1058980676 /nfs/dbraw/zinc/98/06/76/1058980676.db2.gz MVQKFDJOEXUNSX-OAHLLOKOSA-N 2 1 338.451 4.065 20 10 EICDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000743399494 1058980695 /nfs/dbraw/zinc/98/06/95/1058980695.db2.gz MVQKFDJOEXUNSX-OAHLLOKOSA-N 2 1 338.451 4.065 20 10 EICDMP CC[C@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccccc1O ZINC000379624594 1059616289 /nfs/dbraw/zinc/61/62/89/1059616289.db2.gz DLQDSYZXABMXJC-PXNSSMCTSA-N 2 1 326.484 4.344 20 10 EICDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)CC[N@@H+]1Cc1ccccc1 ZINC000379641502 1059709077 /nfs/dbraw/zinc/70/90/77/1059709077.db2.gz DABPEDHBYNHZSV-NSISKUIASA-N 2 1 336.479 4.022 20 10 EICDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)CC[N@H+]1Cc1ccccc1 ZINC000379641502 1059709105 /nfs/dbraw/zinc/70/91/05/1059709105.db2.gz DABPEDHBYNHZSV-NSISKUIASA-N 2 1 336.479 4.022 20 10 EICDMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1O ZINC000311222994 1023007898 /nfs/dbraw/zinc/00/78/98/1023007898.db2.gz VSSLZPKTRBHDSV-WMZOPIPTSA-N 2 1 342.458 4.094 20 10 EICDMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1O ZINC000183506896 1023373107 /nfs/dbraw/zinc/37/31/07/1023373107.db2.gz GDFBMCBPDSSEFP-VOBGVNJCSA-N 2 1 336.479 4.238 20 10 EICDMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000152450837 1042827826 /nfs/dbraw/zinc/82/78/26/1042827826.db2.gz SHKOLCABGPLIMF-OALUTQOASA-N 2 1 341.543 4.202 20 10 EICDMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1 ZINC000738228242 1045044194 /nfs/dbraw/zinc/04/41/94/1045044194.db2.gz USJIRVWIGVBVEK-INIZCTEOSA-N 2 1 346.559 4.371 20 10 EICDMP CCCN(CCC)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000915682841 1045448087 /nfs/dbraw/zinc/44/80/87/1045448087.db2.gz SAVUBUVMSYZVMF-PZJWPPBQSA-N 2 1 329.532 4.029 20 10 EICDMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000767396203 1045525952 /nfs/dbraw/zinc/52/59/52/1045525952.db2.gz BASWVFWZGGZFRJ-UHFFFAOYSA-N 2 1 327.472 4.122 20 10 EICDMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000767396203 1045525964 /nfs/dbraw/zinc/52/59/64/1045525964.db2.gz BASWVFWZGGZFRJ-UHFFFAOYSA-N 2 1 327.472 4.122 20 10 EICDMP Cc1ccc(O)c(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000769385355 1045944184 /nfs/dbraw/zinc/94/41/84/1045944184.db2.gz WFWKOCNGTBNNQZ-GHTZIAJQSA-N 2 1 338.495 4.186 20 10 EICDMP Cc1ccc(O)c(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000769385355 1045944204 /nfs/dbraw/zinc/94/42/04/1045944204.db2.gz WFWKOCNGTBNNQZ-GHTZIAJQSA-N 2 1 338.495 4.186 20 10 EICDMP Cc1ccc(O)c(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000769385355 1045944191 /nfs/dbraw/zinc/94/41/91/1045944191.db2.gz WFWKOCNGTBNNQZ-GHTZIAJQSA-N 2 1 338.495 4.186 20 10 EICDMP Cc1ccc(O)c(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000769385355 1045944215 /nfs/dbraw/zinc/94/42/15/1045944215.db2.gz WFWKOCNGTBNNQZ-GHTZIAJQSA-N 2 1 338.495 4.186 20 10 EICDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(-c3ccccc3)ccc2O)[C@H](C)C1 ZINC000769482765 1045971349 /nfs/dbraw/zinc/97/13/49/1045971349.db2.gz DYWYWNIQRSLXSU-UTKZUKDTSA-N 2 1 338.495 4.221 20 10 EICDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccccc3)ccc2O)[C@H](C)C1 ZINC000769482765 1045971337 /nfs/dbraw/zinc/97/13/37/1045971337.db2.gz DYWYWNIQRSLXSU-UTKZUKDTSA-N 2 1 338.495 4.221 20 10 EICDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(-c3ccccc3)ccc2O)[C@H](C)C1 ZINC000769482765 1045971359 /nfs/dbraw/zinc/97/13/59/1045971359.db2.gz DYWYWNIQRSLXSU-UTKZUKDTSA-N 2 1 338.495 4.221 20 10 EICDMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000769504238 1046001082 /nfs/dbraw/zinc/00/10/82/1046001082.db2.gz RJECFXBQRHTXNJ-GOSISDBHSA-N 2 1 338.495 4.223 20 10 EICDMP Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(O)c1 ZINC000788796735 1047303829 /nfs/dbraw/zinc/30/38/29/1047303829.db2.gz IBGDKFRDFORILG-QUCCMNQESA-N 2 1 338.495 4.182 20 10 EICDMP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)CC1 ZINC000815576662 1048518806 /nfs/dbraw/zinc/51/88/06/1048518806.db2.gz VYGOBATZHNZEHM-CYBMUJFWSA-N 2 1 344.421 4.184 20 10 EICDMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)c1ccc(N(C)C)cc1 ZINC000773074662 1049564524 /nfs/dbraw/zinc/56/45/24/1049564524.db2.gz GYQNUYMWLKFRTM-RXVVDRJESA-N 2 1 331.548 4.161 20 10 EICDMP CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC001191060231 1051336787 /nfs/dbraw/zinc/33/67/87/1051336787.db2.gz ZBQZAPKZYHENMG-TZIWHRDSSA-N 2 1 343.559 4.229 20 10 EICDMP CCN(C)c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC001191060231 1051336796 /nfs/dbraw/zinc/33/67/96/1051336796.db2.gz ZBQZAPKZYHENMG-TZIWHRDSSA-N 2 1 343.559 4.229 20 10 EICDMP CCN(C)c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC001191060231 1051336800 /nfs/dbraw/zinc/33/68/00/1051336800.db2.gz ZBQZAPKZYHENMG-TZIWHRDSSA-N 2 1 343.559 4.229 20 10 EICDMP CCN(C)c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC001191060231 1051336807 /nfs/dbraw/zinc/33/68/07/1051336807.db2.gz ZBQZAPKZYHENMG-TZIWHRDSSA-N 2 1 343.559 4.229 20 10 EICDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N3CCCCC3)c(C)c2)C[C@@H]1C ZINC001191418180 1051452830 /nfs/dbraw/zinc/45/28/30/1051452830.db2.gz SDYYPGLDVCZTJY-FPOVZHCZSA-N 2 1 343.559 4.290 20 10 EICDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)C[C@@H]1C ZINC001191418180 1051452836 /nfs/dbraw/zinc/45/28/36/1051452836.db2.gz SDYYPGLDVCZTJY-FPOVZHCZSA-N 2 1 343.559 4.290 20 10 EICDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)C[C@@H]1C ZINC001191418180 1051452841 /nfs/dbraw/zinc/45/28/41/1051452841.db2.gz SDYYPGLDVCZTJY-FPOVZHCZSA-N 2 1 343.559 4.290 20 10 EICDMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(O)c1 ZINC000185003409 1052356857 /nfs/dbraw/zinc/35/68/57/1052356857.db2.gz YQYFNJUDYIBDDF-SFHVURJKSA-N 2 1 338.495 4.058 20 10 EICDMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2ccc(F)cc2O)c1 ZINC000185062189 1052388747 /nfs/dbraw/zinc/38/87/47/1052388747.db2.gz UWQPVRJQOYELKX-HNNXBMFYSA-N 2 1 330.447 4.224 20 10 EICDMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c(O)c1 ZINC000185245787 1052549532 /nfs/dbraw/zinc/54/95/32/1052549532.db2.gz GCEKYLBHMQMYCH-IAGOWNOFSA-N 2 1 344.524 4.325 20 10 EICDMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(O)c1 ZINC000185245787 1052549535 /nfs/dbraw/zinc/54/95/35/1052549535.db2.gz GCEKYLBHMQMYCH-IAGOWNOFSA-N 2 1 344.524 4.325 20 10 EICDMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cc(F)ccc1O ZINC000185658799 1052666612 /nfs/dbraw/zinc/66/66/12/1052666612.db2.gz HUFIPQAXUWCIJO-TXPKVOOTSA-N 2 1 342.458 4.235 20 10 EICDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cc(F)ccc1O ZINC000185658799 1052666614 /nfs/dbraw/zinc/66/66/14/1052666614.db2.gz HUFIPQAXUWCIJO-TXPKVOOTSA-N 2 1 342.458 4.235 20 10 EICDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000765293086 1053499349 /nfs/dbraw/zinc/49/93/49/1053499349.db2.gz ZUWILBHEYKQYFM-ZWKOTPCHSA-N 2 1 347.522 4.199 20 10 EICDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C3CCCCC3)cc2)CC[N@H+]1C ZINC000765446020 1053550894 /nfs/dbraw/zinc/55/08/94/1053550894.db2.gz PEYOMIRFWBLMGB-IEBWSBKVSA-N 2 1 329.532 4.028 20 10 EICDMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000123771670 1054275877 /nfs/dbraw/zinc/27/58/77/1054275877.db2.gz HCIVMDYEAZNGGG-SFHVURJKSA-N 2 1 337.511 4.068 20 10 EICDMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000858490321 1054499174 /nfs/dbraw/zinc/49/91/74/1054499174.db2.gz GFFVUCAMFHEDHI-RTBURBONSA-N 2 1 329.532 4.059 20 10 EICDMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1O ZINC000877755610 1055115421 /nfs/dbraw/zinc/11/54/21/1055115421.db2.gz HXDGGQOUAOSQCE-MJGOQNOKSA-N 2 1 336.479 4.240 20 10 EICDMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1O ZINC000877755610 1055115429 /nfs/dbraw/zinc/11/54/29/1055115429.db2.gz HXDGGQOUAOSQCE-MJGOQNOKSA-N 2 1 336.479 4.240 20 10 EICDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(CC)cc(C(C)(C)C)c2O)C1 ZINC000743390627 1058973374 /nfs/dbraw/zinc/97/33/74/1058973374.db2.gz RXWSDAHHCFVNMX-SFHVURJKSA-N 2 1 346.559 4.416 20 10 EICDMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(CC)cc(C(C)(C)C)c2O)C1 ZINC000743390627 1058973385 /nfs/dbraw/zinc/97/33/85/1058973385.db2.gz RXWSDAHHCFVNMX-SFHVURJKSA-N 2 1 346.559 4.416 20 10 EICDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(CC)cc(C(C)(C)C)c2O)C1 ZINC000743390627 1058973410 /nfs/dbraw/zinc/97/34/10/1058973410.db2.gz RXWSDAHHCFVNMX-SFHVURJKSA-N 2 1 346.559 4.416 20 10 EICDMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(CC)cc(C(C)(C)C)c2O)C1 ZINC000743390626 1058975188 /nfs/dbraw/zinc/97/51/88/1058975188.db2.gz RXWSDAHHCFVNMX-GOSISDBHSA-N 2 1 346.559 4.416 20 10 EICDMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(CC)cc(C(C)(C)C)c2O)C1 ZINC000743390626 1058975203 /nfs/dbraw/zinc/97/52/03/1058975203.db2.gz RXWSDAHHCFVNMX-GOSISDBHSA-N 2 1 346.559 4.416 20 10 EICDMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(CC)cc(C(C)(C)C)c2O)C1 ZINC000743390626 1058975222 /nfs/dbraw/zinc/97/52/22/1058975222.db2.gz RXWSDAHHCFVNMX-GOSISDBHSA-N 2 1 346.559 4.416 20 10 EICDMP CC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000310799480 1032522808 /nfs/dbraw/zinc/52/28/08/1032522808.db2.gz GKCCAZLLRIWOCX-DSKINZAPSA-N 2 1 338.495 4.344 20 10 EICDMP C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310905353 1022576890 /nfs/dbraw/zinc/57/68/90/1022576890.db2.gz BUFPZXDHOOSJSS-RYRKJORJSA-N 2 1 342.458 4.093 20 10 EICDMP C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310905353 1022576913 /nfs/dbraw/zinc/57/69/13/1022576913.db2.gz BUFPZXDHOOSJSS-RYRKJORJSA-N 2 1 342.458 4.093 20 10 EICDMP Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000310807623 1023442160 /nfs/dbraw/zinc/44/21/60/1023442160.db2.gz HZTJGHJQKNHAIZ-HBFSDRIKSA-N 2 1 338.495 4.262 20 10 EICDMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000158186384 1035659978 /nfs/dbraw/zinc/65/99/78/1035659978.db2.gz IJMADYJRUCMWKC-MOPGFXCFSA-N 2 1 329.532 4.059 20 10 EICDMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(N2CCCCC2)c(F)c1 ZINC000295919091 1042538406 /nfs/dbraw/zinc/53/84/06/1042538406.db2.gz JTHSLFSLEGMABO-UXDRXVOSSA-N 2 1 345.506 4.092 20 10 EICDMP Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(O)c1 ZINC000788796731 1047303398 /nfs/dbraw/zinc/30/33/98/1047303398.db2.gz IBGDKFRDFORILG-AZUAARDMSA-N 2 1 338.495 4.182 20 10 EICDMP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)cc1 ZINC000817962343 1049070576 /nfs/dbraw/zinc/07/05/76/1049070576.db2.gz IASUSLIBYRNJHH-RYUDHWBXSA-N 2 1 338.373 4.282 20 10 EICDMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)c1ccc(N(C)C)cc1 ZINC000773074658 1049565682 /nfs/dbraw/zinc/56/56/82/1049565682.db2.gz GYQNUYMWLKFRTM-NQIIRXRSSA-N 2 1 331.548 4.161 20 10 EICDMP Oc1ccccc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172060505 1049842337 /nfs/dbraw/zinc/84/23/37/1049842337.db2.gz ATEKAMYXYASFHP-WKCHPHFGSA-N 2 1 336.479 4.068 20 10 EICDMP Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172115721 1049858462 /nfs/dbraw/zinc/85/84/62/1049858462.db2.gz ZHJFMYNWQJKKBI-PZTGFMGMSA-N 2 1 342.527 4.237 20 10 EICDMP Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172115721 1049858465 /nfs/dbraw/zinc/85/84/65/1049858465.db2.gz ZHJFMYNWQJKKBI-PZTGFMGMSA-N 2 1 342.527 4.237 20 10 EICDMP Cc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)ccc1N(C)C ZINC001190827225 1051286112 /nfs/dbraw/zinc/28/61/12/1051286112.db2.gz NCNFCIXUXJNXJD-OAQYLSRUSA-N 2 1 343.559 4.149 20 10 EICDMP C[N@@H+](Cc1ccc(Cl)cc1)C1CCN(Cc2ccccc2O)CC1 ZINC001203561802 1051807709 /nfs/dbraw/zinc/80/77/09/1051807709.db2.gz ZVPQGKOYCMXKKF-UHFFFAOYSA-N 2 1 344.886 4.142 20 10 EICDMP CN(Cc1ccc(Cl)cc1)C1CC[NH+](Cc2ccccc2O)CC1 ZINC001203561802 1051807716 /nfs/dbraw/zinc/80/77/16/1051807716.db2.gz ZVPQGKOYCMXKKF-UHFFFAOYSA-N 2 1 344.886 4.142 20 10 EICDMP Oc1cccc2c1[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC000297933877 1052106315 /nfs/dbraw/zinc/10/63/15/1052106315.db2.gz XUIMLBSYNRNHPM-VTHDOGFWSA-N 2 1 348.490 4.165 20 10 EICDMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(O)c1 ZINC000185245753 1052550128 /nfs/dbraw/zinc/55/01/28/1052550128.db2.gz GCEKYLBHMQMYCH-SJORKVTESA-N 2 1 344.524 4.325 20 10 EICDMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(O)c1 ZINC000185245753 1052550132 /nfs/dbraw/zinc/55/01/32/1052550132.db2.gz GCEKYLBHMQMYCH-SJORKVTESA-N 2 1 344.524 4.325 20 10 EICDMP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccc(F)cc1O ZINC000185241390 1052550868 /nfs/dbraw/zinc/55/08/68/1052550868.db2.gz NZHLVVFLVOWBKH-AWEZNQCLSA-N 2 1 348.487 4.156 20 10 EICDMP Cc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000742169107 1058528276 /nfs/dbraw/zinc/52/82/76/1058528276.db2.gz NTAAUMFCQLNCOQ-SFHVURJKSA-N 2 1 344.543 4.306 20 10 EICDMP