smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccccc1C[N@H+]1CCC[C@](C)(COc2ccncc2)C1 ZINC000257195727 1022779350 /nfs/dbraw/zinc/77/93/50/1022779350.db2.gz WTNYAERFADSZAT-NRFANRHFSA-N 1 1 340.467 4.161 50 0 EIAAMO CC(C)C(=O)NC[C@H]1CCC[N@H+]([C@H](C)CCSc2ccccc2)C1 ZINC000107157860 1024071006 /nfs/dbraw/zinc/07/10/06/1024071006.db2.gz GKVCLBCFBQHXGF-QZTJIDSGSA-N 1 1 348.556 4.042 50 0 EIAAMO Cc1cccc(Oc2cc(C[NH2+][C@@H]3CCCn4ccnc43)ccn2)c1C ZINC000888094082 1025938222 /nfs/dbraw/zinc/93/82/22/1025938222.db2.gz GEECUEZBWJCRKQ-GOSISDBHSA-N 1 1 348.450 4.312 50 0 EIAAMO OC[C@H]1CCC[N@@H+](Cc2cccc(Oc3ccc(Cl)cc3)c2)C1 ZINC000023114990 1027733693 /nfs/dbraw/zinc/73/36/93/1027733693.db2.gz HPPZPHOCCXKJNK-INIZCTEOSA-N 1 1 331.843 4.337 50 0 EIAAMO c1ccc2oc([C@@H]3CCC[N@H+](Cc4ccc5c(c4)CCO5)C3)nc2c1 ZINC000109829702 1030971465 /nfs/dbraw/zinc/97/14/65/1030971465.db2.gz MKBJQSRHUSWVHE-QGZVFWFLSA-N 1 1 334.419 4.142 50 0 EIAAMO Cc1ccc(-c2nc(C[N@H+]3CC[C@]4(C3)CCCOC4)cs2)cc1 ZINC000792941792 1040313941 /nfs/dbraw/zinc/31/39/41/1040313941.db2.gz XENQXUNBTSIPDW-IBGZPJMESA-N 1 1 328.481 4.121 50 0 EIAAMO C[N@H+](Cc1ccccc1)C[C@@H]1CCCN(CCc2ccccc2F)C1 ZINC000012750836 1044503542 /nfs/dbraw/zinc/50/35/42/1044503542.db2.gz ZZPFZWVEPGDDBD-FQEVSTJZSA-N 1 1 340.486 4.212 50 0 EIAAMO c1ccc([C@@H]2C[N@@H+](Cc3ccc(-c4ccccn4)cc3)CCO2)cc1 ZINC000141832156 1044849764 /nfs/dbraw/zinc/84/97/64/1044849764.db2.gz AFRZZFTXBCQSHJ-QFIPXVFZSA-N 1 1 330.431 4.322 50 0 EIAAMO COCc1ccc(C[NH2+][C@H]2CCCc3nc(-c4ccccc4)ncc32)o1 ZINC000012587388 1044904047 /nfs/dbraw/zinc/90/40/47/1044904047.db2.gz DVFJODWMIYROFB-IBGZPJMESA-N 1 1 349.434 4.050 50 0 EIAAMO Cc1cnc(-c2ccncc2)n1[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000575545797 1045254213 /nfs/dbraw/zinc/25/42/13/1045254213.db2.gz JVNLCEJEULANST-HXUWFJFHSA-N 1 1 338.499 4.471 50 0 EIAAMO Cc1nc(C[N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)nc2ccccc12 ZINC000190161279 1046740970 /nfs/dbraw/zinc/74/09/70/1046740970.db2.gz BRVSYUPFDVJHLT-HNNXBMFYSA-N 1 1 337.389 4.349 50 0 EIAAMO Cc1nc(C[N@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)nc2ccccc12 ZINC000190161279 1046740981 /nfs/dbraw/zinc/74/09/81/1046740981.db2.gz BRVSYUPFDVJHLT-HNNXBMFYSA-N 1 1 337.389 4.349 50 0 EIAAMO CC(C)c1ccc(CN(C(=O)[C@H]2CCCCC[N@H+]2C)C2CC2)cc1 ZINC000952963517 1049681662 /nfs/dbraw/zinc/68/16/62/1049681662.db2.gz KQBRMGMAOSPPTD-HXUWFJFHSA-N 1 1 328.500 4.175 50 0 EIAAMO Cc1ccc(CN(C(=O)[C@@H]2CCCCC[N@@H+]2C)C2CCCC2)s1 ZINC000952973740 1049687373 /nfs/dbraw/zinc/68/73/73/1049687373.db2.gz AFVWEVQOKRGHIP-SFHVURJKSA-N 1 1 334.529 4.202 50 0 EIAAMO C[N@H+](Cc1ccc([C@@H]2CCCCO2)o1)Cc1ccc2nsnc2c1 ZINC000952988802 1049691602 /nfs/dbraw/zinc/69/16/02/1049691602.db2.gz SIIGRBSOSVVXRQ-KRWDZBQOSA-N 1 1 343.452 4.158 50 0 EIAAMO C[N@@H+](Cc1ccc([C@@H]2CCCCO2)o1)Cc1ccc2nsnc2c1 ZINC000952988802 1049691621 /nfs/dbraw/zinc/69/16/21/1049691621.db2.gz SIIGRBSOSVVXRQ-KRWDZBQOSA-N 1 1 343.452 4.158 50 0 EIAAMO C[C@@H](c1cccc(NCc2cnc3ccccc3c2)c1)[NH+]1CCOCC1 ZINC000269307926 1053548581 /nfs/dbraw/zinc/54/85/81/1053548581.db2.gz HKWKYOWBRQVYDI-KRWDZBQOSA-N 1 1 347.462 4.240 50 0 EIAAMO Cc1cnc(-c2cccnc2)n1[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000581807022 1060017050 /nfs/dbraw/zinc/01/70/50/1060017050.db2.gz HQGDYHKPXVMXNM-FQEVSTJZSA-N 1 1 332.451 4.091 50 0 EIAAMO Cc1cnc(-c2cccnc2)n1[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000581807023 1060019376 /nfs/dbraw/zinc/01/93/76/1060019376.db2.gz HQGDYHKPXVMXNM-HXUWFJFHSA-N 1 1 332.451 4.091 50 0 EIAAMO CCCn1c(C)c[nH+]c1C[C@@H]1CCCN(C(=O)CCC2CCCC2)C1 ZINC000581815464 1060021800 /nfs/dbraw/zinc/02/18/00/1060021800.db2.gz DCVXSFIYBZHUND-IBGZPJMESA-N 1 1 345.531 4.353 50 0 EIAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc2ccccc2s1 ZINC000008315309 201744971 /nfs/dbraw/zinc/74/49/71/201744971.db2.gz ZSLDDRYUFVHVHC-OAHLLOKOSA-N 1 1 340.448 4.061 50 0 EIAAMO CC(C)c1ccc(CN2CCC[C@]3(CC[N@H+](C4CCC4)C3)C2=O)cc1 ZINC000011753422 201813701 /nfs/dbraw/zinc/81/37/01/201813701.db2.gz IPJZHLZIMKOWEU-JOCHJYFZSA-N 1 1 340.511 4.177 50 0 EIAAMO CCOc1ccc(C[NH+]2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000019788161 202020593 /nfs/dbraw/zinc/02/05/93/202020593.db2.gz UKTUJPFUEKRZNU-UHFFFAOYSA-N 1 1 344.886 4.057 50 0 EIAAMO Cc1ccccc1C[N@@H+]1CCc2nc(Nc3ccccc3F)ncc2C1 ZINC000021639681 202066976 /nfs/dbraw/zinc/06/69/76/202066976.db2.gz INYVEERIGIYIOC-UHFFFAOYSA-N 1 1 348.425 4.226 50 0 EIAAMO Cc1ccccc1C[N@H+]1CCc2nc(Nc3ccccc3F)ncc2C1 ZINC000021639681 202066979 /nfs/dbraw/zinc/06/69/79/202066979.db2.gz INYVEERIGIYIOC-UHFFFAOYSA-N 1 1 348.425 4.226 50 0 EIAAMO Cc1ccccc1C[N@@H+]1CCc2nc(Nc3ccc(F)cc3)ncc2C1 ZINC000021639773 202067582 /nfs/dbraw/zinc/06/75/82/202067582.db2.gz FGIDUGMXVFPLAJ-UHFFFAOYSA-N 1 1 348.425 4.226 50 0 EIAAMO Cc1ccccc1C[N@H+]1CCc2nc(Nc3ccc(F)cc3)ncc2C1 ZINC000021639773 202067585 /nfs/dbraw/zinc/06/75/85/202067585.db2.gz FGIDUGMXVFPLAJ-UHFFFAOYSA-N 1 1 348.425 4.226 50 0 EIAAMO COc1cc(C[N@H+]2CCC[C@@H]2c2c(C)noc2C)ccc1OC(C)C ZINC000021720284 202069161 /nfs/dbraw/zinc/06/91/61/202069161.db2.gz XPXVJVJNTWZUBM-QGZVFWFLSA-N 1 1 344.455 4.424 50 0 EIAAMO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccccc1Br ZINC000021720083 202069490 /nfs/dbraw/zinc/06/94/90/202069490.db2.gz UFDYTSVUQWEHAJ-HNNXBMFYSA-N 1 1 335.245 4.391 50 0 EIAAMO Cc1noc(C)c1[C@@H]1CCC[N@H+]1Cc1ccccc1Br ZINC000021720083 202069493 /nfs/dbraw/zinc/06/94/93/202069493.db2.gz UFDYTSVUQWEHAJ-HNNXBMFYSA-N 1 1 335.245 4.391 50 0 EIAAMO C[N@@H+](CC[C@@H]1CCCCO1)Cc1c[nH]nc1-c1cc2ccccc2o1 ZINC000023368400 202103300 /nfs/dbraw/zinc/10/33/00/202103300.db2.gz LGPATBOCBZMPAJ-KRWDZBQOSA-N 1 1 339.439 4.214 50 0 EIAAMO Cc1oc(-c2cccc(C)c2)nc1C[N@@H+](CC1CC1)C[C@@H]1CCCO1 ZINC000012303391 202113525 /nfs/dbraw/zinc/11/35/25/202113525.db2.gz MINBZJCVMXIZJB-IBGZPJMESA-N 1 1 340.467 4.349 50 0 EIAAMO C[N@H+](CN1c2cccc3cccc(c23)C1=O)[C@@H]1CCc2ccccc21 ZINC000029309438 202184424 /nfs/dbraw/zinc/18/44/24/202184424.db2.gz WXPZISIPWVLLEA-LJQANCHMSA-N 1 1 328.415 4.377 50 0 EIAAMO C[N@@H+](CN1c2cccc3cccc(c23)C1=O)[C@@H]1CCc2ccccc21 ZINC000029309438 202184427 /nfs/dbraw/zinc/18/44/27/202184427.db2.gz WXPZISIPWVLLEA-LJQANCHMSA-N 1 1 328.415 4.377 50 0 EIAAMO Cc1c(Cl)cccc1NC(=O)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000029482371 202187988 /nfs/dbraw/zinc/18/79/88/202187988.db2.gz RLXVWLYARMPNNF-SFHVURJKSA-N 1 1 328.843 4.206 50 0 EIAAMO C[C@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)N1CCc2ccccc2C1 ZINC000032754459 202231852 /nfs/dbraw/zinc/23/18/52/202231852.db2.gz JTDFLFSVRYPMDB-MRXNPFEDSA-N 1 1 348.446 4.011 50 0 EIAAMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)N1CCc2ccccc2C1 ZINC000032754459 202231853 /nfs/dbraw/zinc/23/18/53/202231853.db2.gz JTDFLFSVRYPMDB-MRXNPFEDSA-N 1 1 348.446 4.011 50 0 EIAAMO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)N1CCc2ccccc2C1 ZINC000032754460 202232141 /nfs/dbraw/zinc/23/21/41/202232141.db2.gz JTDFLFSVRYPMDB-INIZCTEOSA-N 1 1 348.446 4.011 50 0 EIAAMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)N1CCc2ccccc2C1 ZINC000032754460 202232144 /nfs/dbraw/zinc/23/21/44/202232144.db2.gz JTDFLFSVRYPMDB-INIZCTEOSA-N 1 1 348.446 4.011 50 0 EIAAMO COC(=O)c1oc(C[N@H+](C)[C@H](C)c2cc3ccccc3o2)cc1C ZINC000032825279 202236210 /nfs/dbraw/zinc/23/62/10/202236210.db2.gz UPLKQRZULKAGEB-CYBMUJFWSA-N 1 1 327.380 4.314 50 0 EIAAMO COC(=O)c1oc(C[N@@H+](C)[C@H](C)c2cc3ccccc3o2)cc1C ZINC000032825279 202236212 /nfs/dbraw/zinc/23/62/12/202236212.db2.gz UPLKQRZULKAGEB-CYBMUJFWSA-N 1 1 327.380 4.314 50 0 EIAAMO COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+](C)C1CCCCCC1 ZINC000032858120 202238272 /nfs/dbraw/zinc/23/82/72/202238272.db2.gz DGYNJUVTKNJMJK-UHFFFAOYSA-N 1 1 338.879 4.250 50 0 EIAAMO Cc1ccc(C)c(C[N@H+](C[C@H](O)COc2ccccc2C)C(C)C)c1 ZINC000036031680 202313220 /nfs/dbraw/zinc/31/32/20/202313220.db2.gz VPVOOIGJPNHMMI-NRFANRHFSA-N 1 1 341.495 4.262 50 0 EIAAMO CC[C@H](C)[N@H+](Cc1cccnc1)Cc1cc2c(cc1Cl)OCO2 ZINC000055343308 202689305 /nfs/dbraw/zinc/68/93/05/202689305.db2.gz FEFBWFCBCWIWPL-ZDUSSCGKSA-N 1 1 332.831 4.264 50 0 EIAAMO CC[C@H](C)[N@@H+](Cc1cccnc1)Cc1cc2c(cc1Cl)OCO2 ZINC000055343308 202689307 /nfs/dbraw/zinc/68/93/07/202689307.db2.gz FEFBWFCBCWIWPL-ZDUSSCGKSA-N 1 1 332.831 4.264 50 0 EIAAMO Fc1ccc(-n2cc(C[N@@H+]3CCCC[C@@H]3c3cccnc3)cn2)cc1 ZINC000215144687 241106986 /nfs/dbraw/zinc/10/69/86/241106986.db2.gz FODYPYXQIVPOBF-HXUWFJFHSA-N 1 1 336.414 4.134 50 0 EIAAMO Fc1ccc(-n2cc(C[N@H+]3CCCC[C@@H]3c3cccnc3)cn2)cc1 ZINC000215144687 241106989 /nfs/dbraw/zinc/10/69/89/241106989.db2.gz FODYPYXQIVPOBF-HXUWFJFHSA-N 1 1 336.414 4.134 50 0 EIAAMO c1nc(CN2CCC[C@@]3(CCC[N@@H+](Cc4ccccc4)C3)C2)cs1 ZINC000215976767 241156515 /nfs/dbraw/zinc/15/65/15/241156515.db2.gz OTKWZAVLSGAOPW-HXUWFJFHSA-N 1 1 341.524 4.021 50 0 EIAAMO Cc1nc(CN2CC[NH+](Cc3ccc(CC(C)C)s3)CC2)cs1 ZINC000216389751 241189012 /nfs/dbraw/zinc/18/90/12/241189012.db2.gz JVOHXAOWNMDGDQ-UHFFFAOYSA-N 1 1 349.569 4.029 50 0 EIAAMO c1c(C[N@@H+](Cc2ccccn2)C2CCCCC2)onc1-c1cccnc1 ZINC000244707779 243064592 /nfs/dbraw/zinc/06/45/92/243064592.db2.gz KHKGOGMSUXPJMB-UHFFFAOYSA-N 1 1 348.450 4.467 50 0 EIAAMO COc1ccc2cc([C@@H]3C[N@H+](Cc4ncccc4C)CCO3)ccc2c1 ZINC000071403950 203093945 /nfs/dbraw/zinc/09/39/45/203093945.db2.gz CYTMMBYVOKZFHN-QFIPXVFZSA-N 1 1 348.446 4.125 50 0 EIAAMO COc1ccc2cc([C@@H]3C[N@@H+](Cc4ncccc4C)CCO3)ccc2c1 ZINC000071403950 203093950 /nfs/dbraw/zinc/09/39/50/203093950.db2.gz CYTMMBYVOKZFHN-QFIPXVFZSA-N 1 1 348.446 4.125 50 0 EIAAMO CC(C)N1CCC([N@H+](C)Cc2ccc(Cl)c3cccnc23)CC1 ZINC000071850358 203127573 /nfs/dbraw/zinc/12/75/73/203127573.db2.gz MFEHZSLAYYFPKJ-UHFFFAOYSA-N 1 1 331.891 4.193 50 0 EIAAMO CC(C)N1CCC([N@@H+](C)Cc2ccc(Cl)c3cccnc23)CC1 ZINC000071850358 203127577 /nfs/dbraw/zinc/12/75/77/203127577.db2.gz MFEHZSLAYYFPKJ-UHFFFAOYSA-N 1 1 331.891 4.193 50 0 EIAAMO CC(C)[NH+]1CCC(N(C)Cc2ccc(Cl)c3cccnc23)CC1 ZINC000071850358 203127580 /nfs/dbraw/zinc/12/75/80/203127580.db2.gz MFEHZSLAYYFPKJ-UHFFFAOYSA-N 1 1 331.891 4.193 50 0 EIAAMO Cc1ccc2[nH]c3c(c2c1)CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)CC3 ZINC000072150732 203173209 /nfs/dbraw/zinc/17/32/09/203173209.db2.gz JUHDLKCNXDQJCS-HTAPYJJXSA-N 1 1 337.511 4.099 50 0 EIAAMO Cc1ccc(C)c(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000072313524 203199787 /nfs/dbraw/zinc/19/97/87/203199787.db2.gz CLBVONFBMIZNKH-GOSISDBHSA-N 1 1 337.467 4.042 50 0 EIAAMO Cc1ccc(C)c(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000072313524 203199789 /nfs/dbraw/zinc/19/97/89/203199789.db2.gz CLBVONFBMIZNKH-GOSISDBHSA-N 1 1 337.467 4.042 50 0 EIAAMO CCCCO[C@H]1C[C@H]([N@H+](C)Cc2nnc(-c3ccccc3)o2)C1(C)C ZINC000072311070 203200170 /nfs/dbraw/zinc/20/01/70/203200170.db2.gz LDNZDFORIZAXHW-IRXDYDNUSA-N 1 1 343.471 4.152 50 0 EIAAMO CCCCO[C@H]1C[C@H]([N@@H+](C)Cc2nnc(-c3ccccc3)o2)C1(C)C ZINC000072311070 203200173 /nfs/dbraw/zinc/20/01/73/203200173.db2.gz LDNZDFORIZAXHW-IRXDYDNUSA-N 1 1 343.471 4.152 50 0 EIAAMO CC(C)(O)CCc1ccc(C[N@@H+]2CCC[C@H]2c2nccs2)cc1 ZINC000072407037 203215395 /nfs/dbraw/zinc/21/53/95/203215395.db2.gz WLPJACFPANILSQ-KRWDZBQOSA-N 1 1 330.497 4.184 50 0 EIAAMO CC(C)(O)CCc1ccc(C[N@H+]2CCC[C@H]2c2nccs2)cc1 ZINC000072407037 203215397 /nfs/dbraw/zinc/21/53/97/203215397.db2.gz WLPJACFPANILSQ-KRWDZBQOSA-N 1 1 330.497 4.184 50 0 EIAAMO COc1cccc([C@@H]2CCCC[N@H+]2Cc2ccnc(C(C)C)n2)c1 ZINC000072412454 203219382 /nfs/dbraw/zinc/21/93/82/203219382.db2.gz BQSYPTUOJIIZRS-IBGZPJMESA-N 1 1 325.456 4.336 50 0 EIAAMO c1cnn(CC[C@H]2CCCC[N@H+]2Cc2cncn2C2CCCCC2)c1 ZINC000077393432 203385656 /nfs/dbraw/zinc/38/56/56/203385656.db2.gz JEBVBLWPFRDZSZ-GOSISDBHSA-N 1 1 341.503 4.030 50 0 EIAAMO COCCC[C@@H]1CCC[N@@H+](Cc2cnc(C3CCCCC3)nc2)C1 ZINC000077456522 203389328 /nfs/dbraw/zinc/38/93/28/203389328.db2.gz SIDDZSXCBCLAFZ-KRWDZBQOSA-N 1 1 331.504 4.163 50 0 EIAAMO c1cn(CC2CCC2)c([C@H]2CCCN(c3cnc4ccccc4n3)C2)[nH+]1 ZINC000095374411 203721288 /nfs/dbraw/zinc/72/12/88/203721288.db2.gz FSSONLDXXUZXIG-KRWDZBQOSA-N 1 1 347.466 4.010 50 0 EIAAMO C[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(F)cc1 ZINC000000213915 206209374 /nfs/dbraw/zinc/20/93/74/206209374.db2.gz DGWITJVKJIVNMH-QGZVFWFLSA-N 1 1 326.459 4.183 50 0 EIAAMO C[C@@H]([NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccc(Cl)cc1 ZINC000013041454 207279394 /nfs/dbraw/zinc/27/93/94/207279394.db2.gz FDQIZQARHZNEEK-SNVBAGLBSA-N 1 1 348.233 4.081 50 0 EIAAMO C[N@@H+](Cc1ccc2c[nH]nc2c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273510722 257942109 /nfs/dbraw/zinc/94/21/09/257942109.db2.gz QXAKRJUXUJCLIM-AZUAARDMSA-N 1 1 339.414 4.054 50 0 EIAAMO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)Nc1ccc(F)cc1 ZINC000058160879 518198659 /nfs/dbraw/zinc/19/86/59/518198659.db2.gz KSBCFFWZULJDPG-UHFFFAOYSA-N 1 1 334.394 4.143 50 0 EIAAMO CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cc(C(F)(F)F)ccc1C ZINC000253425139 519854270 /nfs/dbraw/zinc/85/42/70/519854270.db2.gz POHKZEZJYRIXCG-AWEZNQCLSA-N 1 1 343.393 4.010 50 0 EIAAMO COc1ccccc1CCC[N@@H+](C)C1CCN(c2ccccc2)CC1 ZINC000225843894 537028080 /nfs/dbraw/zinc/02/80/80/537028080.db2.gz YYSDNNBRSJFOKK-UHFFFAOYSA-N 1 1 338.495 4.229 50 0 EIAAMO CC[N@@H+](CC(=O)Nc1ccccc1Br)C1CCCCC1 ZINC000003289418 564156996 /nfs/dbraw/zinc/15/69/96/564156996.db2.gz RWHWWCSTRFTGSN-UHFFFAOYSA-N 1 1 339.277 4.042 50 0 EIAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)Nc1cccc(Cl)c1Cl ZINC000002171976 563425125 /nfs/dbraw/zinc/42/51/25/563425125.db2.gz XGLKWQDIKWHKBO-GFCCVEGCSA-N 1 1 344.286 4.379 50 0 EIAAMO O=C(c1cccc(C[NH+]2CCSCC2)c1)c1ccc(Cl)c(F)c1 ZINC000002515295 563436452 /nfs/dbraw/zinc/43/64/52/563436452.db2.gz BNLRCZGMUSMTKT-UHFFFAOYSA-N 1 1 349.858 4.259 50 0 EIAAMO O=C(c1ccc(C(F)(F)F)cc1)c1ccccc1C[NH+]1CC=CC1 ZINC000002515905 563437132 /nfs/dbraw/zinc/43/71/32/563437132.db2.gz RDSOPGTUACWHRC-UHFFFAOYSA-N 1 1 331.337 4.308 50 0 EIAAMO CCC[N@H+](Cc1cc(Br)c(OC)cc1OC)CC1CC1 ZINC000004988625 563517843 /nfs/dbraw/zinc/51/78/43/563517843.db2.gz GLQROGMOZWQQMM-UHFFFAOYSA-N 1 1 342.277 4.088 50 0 EIAAMO CCOc1ccccc1CN1CC[N@H+]2CCC[C@@H]2[C@H]1C1CCCCC1 ZINC000584904382 563601962 /nfs/dbraw/zinc/60/19/62/563601962.db2.gz WLKXQMWVHDLBJL-IFMALSPDSA-N 1 1 342.527 4.314 50 0 EIAAMO 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CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(CC)no2)cc1OCC ZINC000064984401 563957466 /nfs/dbraw/zinc/95/74/66/563957466.db2.gz TZBSGCQMBWIKEU-QGZVFWFLSA-N 1 1 344.455 4.372 50 0 EIAAMO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cc(CC)no2)cc1OCC ZINC000064984401 563957467 /nfs/dbraw/zinc/95/74/67/563957467.db2.gz TZBSGCQMBWIKEU-QGZVFWFLSA-N 1 1 344.455 4.372 50 0 EIAAMO CCc1[nH+]ccn1Cc1nc(-c2ccc(OC)c(C)c2C)oc1C ZINC000067723973 563962629 /nfs/dbraw/zinc/96/26/29/563962629.db2.gz XRRGKJSRGNTLTP-UHFFFAOYSA-N 1 1 325.412 4.083 50 0 EIAAMO CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc3ccccc3s1)C2 ZINC000067804335 563962771 /nfs/dbraw/zinc/96/27/71/563962771.db2.gz KTVQIMMWKZKOJL-FQEVSTJZSA-N 1 1 342.508 4.239 50 0 EIAAMO Cc1cncc(NC(=O)c2cccc(C[N@@H+](C)[C@@H](C)c3ccco3)c2)c1 ZINC000067818937 563962839 /nfs/dbraw/zinc/96/28/39/563962839.db2.gz BBBCOMKWAHHSGA-INIZCTEOSA-N 1 1 349.434 4.428 50 0 EIAAMO Cc1cncc(NC(=O)c2cccc(C[N@H+](C)[C@@H](C)c3ccco3)c2)c1 ZINC000067818937 563962840 /nfs/dbraw/zinc/96/28/40/563962840.db2.gz BBBCOMKWAHHSGA-INIZCTEOSA-N 1 1 349.434 4.428 50 0 EIAAMO C[C@H](c1ccc(-c2ccc3nc(CO)[nH]c3c2)cc1)[NH+]1CCCCC1 ZINC000067840733 563962869 /nfs/dbraw/zinc/96/28/69/563962869.db2.gz PJMCPWPVWUPBTF-OAHLLOKOSA-N 1 1 335.451 4.269 50 0 EIAAMO Cc1cccc(C(C)(C)C)c1NC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000067946373 563963119 /nfs/dbraw/zinc/96/31/19/563963119.db2.gz XAJHSJSDPNZJFB-MRXNPFEDSA-N 1 1 331.504 4.146 50 0 EIAAMO C[C@H](C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1cccs1 ZINC000097165431 563968511 /nfs/dbraw/zinc/96/85/11/563968511.db2.gz SHJOXLLHZVOLMF-JXFKEZNVSA-N 1 1 342.508 4.023 50 0 EIAAMO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2)o1)c1ccc2c(c1)CCC(=O)N2 ZINC000097033126 563971235 /nfs/dbraw/zinc/97/12/35/563971235.db2.gz BKPLPDQGQFGNHJ-CQSZACIVSA-N 1 1 347.418 4.077 50 0 EIAAMO Cc1ccc(C(=O)c2ccccc2C[NH+]2CCSCC2)cc1C ZINC000085651666 563973892 /nfs/dbraw/zinc/97/38/92/563973892.db2.gz HEBAQIFZJPBNAZ-UHFFFAOYSA-N 1 1 325.477 4.083 50 0 EIAAMO CCCc1cc(C(=O)N2CCCC[C@@H]2CCn2cc[nH+]c2C)cs1 ZINC000091270217 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4.499 50 0 EIAAMO CCC[C@@H](c1ccccn1)[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000108144696 564027875 /nfs/dbraw/zinc/02/78/75/564027875.db2.gz AYUFHFUHWHRCBY-XLIONFOSSA-N 1 1 339.483 4.499 50 0 EIAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccsc1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000046088615 564029523 /nfs/dbraw/zinc/02/95/23/564029523.db2.gz GDZVJUURFDGLOS-NXHRZFHOSA-N 1 1 332.513 4.066 50 0 EIAAMO CC[N@@H+](C)Cc1cccc(CNc2ncnc3c4ccccc4oc32)c1 ZINC000048326083 564030992 /nfs/dbraw/zinc/03/09/92/564030992.db2.gz GLXVAHWHEGIBOT-UHFFFAOYSA-N 1 1 346.434 4.440 50 0 EIAAMO CC(C)[C@@H]([NH2+]Cc1csc(-c2ncccn2)n1)c1ccc(F)cc1 ZINC000048684761 564032056 /nfs/dbraw/zinc/03/20/56/564032056.db2.gz ISWMRFCVWHYCRM-MRXNPFEDSA-N 1 1 342.443 4.226 50 0 EIAAMO Cc1nccn1-c1ccc(C[NH2+]Cc2cccc(Cl)c2Cl)cn1 ZINC000048782436 564032255 /nfs/dbraw/zinc/03/22/55/564032255.db2.gz KFICZTPDDFMVJC-UHFFFAOYSA-N 1 1 347.249 4.172 50 0 EIAAMO Cc1nc(C[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)oc1C ZINC000049983360 564032925 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COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@@H+]2Cc2nnc(C)o2)c1 ZINC000240886192 564051830 /nfs/dbraw/zinc/05/18/30/564051830.db2.gz INQIVRNLMDHJOU-PZJWPPBQSA-N 1 1 349.434 4.117 50 0 EIAAMO COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@H+]2Cc2nnc(C)o2)c1 ZINC000240886192 564051831 /nfs/dbraw/zinc/05/18/31/564051831.db2.gz INQIVRNLMDHJOU-PZJWPPBQSA-N 1 1 349.434 4.117 50 0 EIAAMO COc1ccc(C[NH2+][C@H](C)c2ccccc2Br)cc1O ZINC000034992203 564057640 /nfs/dbraw/zinc/05/76/40/564057640.db2.gz BHYTXCUGIYWDOX-LLVKDONJSA-N 1 1 336.229 4.014 50 0 EIAAMO COc1ccc(C[NH2+][C@@H](C)c2ccccc2Br)cc1O ZINC000034992202 564057632 /nfs/dbraw/zinc/05/76/32/564057632.db2.gz BHYTXCUGIYWDOX-NSHDSACASA-N 1 1 336.229 4.014 50 0 EIAAMO O=C(c1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@@H+](Cc2ccoc2)C1 ZINC000019111122 564057804 /nfs/dbraw/zinc/05/78/04/564057804.db2.gz VFJKEFKAKRPMQH-HNNXBMFYSA-N 1 1 337.341 4.393 50 0 EIAAMO C[N@@H+]1CCO[C@@]12CC[C@@H]1[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000299804153 564060870 /nfs/dbraw/zinc/06/08/70/564060870.db2.gz CZGMCXMFKOCFDA-FMZMDBCBSA-N 1 1 347.543 4.048 50 0 EIAAMO C[N@H+]1CCO[C@@]12CC[C@@H]1[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000299804153 564060871 /nfs/dbraw/zinc/06/08/71/564060871.db2.gz CZGMCXMFKOCFDA-FMZMDBCBSA-N 1 1 347.543 4.048 50 0 EIAAMO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccccc3)no2)cc1 ZINC000012755483 564067224 /nfs/dbraw/zinc/06/72/24/564067224.db2.gz QUZYEVKCVHSBIM-GOSISDBHSA-N 1 1 335.407 4.082 50 0 EIAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3ccccc3)no2)cc1 ZINC000012755483 564067225 /nfs/dbraw/zinc/06/72/25/564067225.db2.gz QUZYEVKCVHSBIM-GOSISDBHSA-N 1 1 335.407 4.082 50 0 EIAAMO O[C@H](COc1cccc2ccccc21)C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000084525540 564068507 /nfs/dbraw/zinc/06/85/07/564068507.db2.gz OWLWGTWFFKUJNX-SFTDATJTSA-N 1 1 347.458 4.069 50 0 EIAAMO CC(C)c1csc([C@@H]2CCC[N@@H+](Cc3nnc(C(C)C)o3)C2)n1 ZINC000084630778 564069228 /nfs/dbraw/zinc/06/92/28/564069228.db2.gz SXEQKYKCVBHLOI-CYBMUJFWSA-N 1 1 334.489 4.153 50 0 EIAAMO CC(C)c1csc([C@@H]2CCC[N@H+](Cc3nnc(C(C)C)o3)C2)n1 ZINC000084630778 564069229 /nfs/dbraw/zinc/06/92/29/564069229.db2.gz SXEQKYKCVBHLOI-CYBMUJFWSA-N 1 1 334.489 4.153 50 0 EIAAMO CC(C)(C[N@@H+](Cc1ccc(F)cc1)C1CC1)C1OCC(C)(C)CO1 ZINC000084673679 564069558 /nfs/dbraw/zinc/06/95/58/564069558.db2.gz BEZPDWTZHODFDZ-UHFFFAOYSA-N 1 1 335.463 4.215 50 0 EIAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(=O)oc3cc(C)ccc23)cc1 ZINC000012809201 564072614 /nfs/dbraw/zinc/07/26/14/564072614.db2.gz QQFMOLYMULISNT-FQEVSTJZSA-N 1 1 349.430 4.447 50 0 EIAAMO COc1cccc([C@H]([NH2+]Cc2cc[nH]c2)c2cc(F)ccc2OC)c1 ZINC000086255638 564075465 /nfs/dbraw/zinc/07/54/65/564075465.db2.gz OPMGNRUALHZHJG-FQEVSTJZSA-N 1 1 340.398 4.050 50 0 EIAAMO C[N@@H+](Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)C1CCCC1 ZINC000053814196 564084103 /nfs/dbraw/zinc/08/41/03/564084103.db2.gz BEPHZCINLPQJTQ-UHFFFAOYSA-N 1 1 339.464 4.026 50 0 EIAAMO Fc1ccc(F)c(CN2CC[N@H+]3CCC[C@H]3[C@H]2C2CCCCC2)c1 ZINC000239402700 564088097 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O[C@H](C[N@H+]1CCC[C@H]1CCc1ccccc1)c1ccc(F)c(F)c1 ZINC000252680261 564124910 /nfs/dbraw/zinc/12/49/10/564124910.db2.gz YCFGZWFARNPSFM-FXAWDEMLSA-N 1 1 331.406 4.095 50 0 EIAAMO c1coc([C@H](NC2CC[NH+](Cc3cccnc3)CC2)c2ccccc2)c1 ZINC000095419555 564139850 /nfs/dbraw/zinc/13/98/50/564139850.db2.gz JLCIWFGDFCYYKU-JOCHJYFZSA-N 1 1 347.462 4.018 50 0 EIAAMO C[C@H]([NH2+][C@H](c1ccco1)c1ccccc1)c1ccc([S@@](C)=O)cc1 ZINC000095419546 564139855 /nfs/dbraw/zinc/13/98/55/564139855.db2.gz DUAPMYXHDMWETO-CCQPRUGESA-N 1 1 339.460 4.457 50 0 EIAAMO COC[C@H]([NH2+][C@H](C)c1cncc(F)c1)c1cccc(C(F)(F)F)c1 ZINC000095968161 564143123 /nfs/dbraw/zinc/14/31/23/564143123.db2.gz CZPSIDRYUDOPTP-BZNIZROVSA-N 1 1 342.336 4.278 50 0 EIAAMO c1coc([C@H](NC2CC[NH+](Cc3ccccn3)CC2)c2ccccc2)c1 ZINC000096476436 564148439 /nfs/dbraw/zinc/14/84/39/564148439.db2.gz NCENMCFMBYUOAS-JOCHJYFZSA-N 1 1 347.462 4.018 50 0 EIAAMO C[N@H+]1CCCC[C@@H]1CCSc1ncnc2sc3c(c21)CCC3 ZINC000057744738 564155614 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CCOc1ccc2[nH]c(C)c(C[N@H+]3CCc4ccccc4C3)c(=O)c2c1 ZINC000008571802 564165723 /nfs/dbraw/zinc/16/57/23/564165723.db2.gz KCIHVDFJHXXXHU-UHFFFAOYSA-N 1 1 348.446 4.206 50 0 EIAAMO O=C(NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)c1ccccc1 ZINC000008654809 564166215 /nfs/dbraw/zinc/16/62/15/564166215.db2.gz YSFYAZLRBBJYQC-IBGZPJMESA-N 1 1 342.870 4.297 50 0 EIAAMO CC[N@@H+](Cc1ccc(C(=O)N(C)[C@H](C)c2cccnc2)cc1)C(C)C ZINC000069417521 564169344 /nfs/dbraw/zinc/16/93/44/564169344.db2.gz MLVQOYOITXWHIX-QGZVFWFLSA-N 1 1 339.483 4.145 50 0 EIAAMO C[N@@H+](Cc1ccc(C(N)=O)cc1)C(c1ccccc1)c1ccccc1 ZINC000009364544 564172958 /nfs/dbraw/zinc/17/29/58/564172958.db2.gz XVIQCCSZTMYAPT-UHFFFAOYSA-N 1 1 330.431 4.007 50 0 EIAAMO COc1ccc2nc(C[N@H+]3CCC[C@H](c4nccs4)C3)sc2c1 ZINC000186910139 1019013934 /nfs/dbraw/zinc/01/39/34/1019013934.db2.gz DGBASDKAAHXSII-LBPRGKRZSA-N 1 1 345.493 4.141 50 0 EIAAMO Cc1cccc(C[N@H+]2CCCCCNC(=O)C[C@H]2c2ccccc2)c1 ZINC000257178808 1022646759 /nfs/dbraw/zinc/64/67/59/1022646759.db2.gz 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Cc1nnc(C2CC[NH+](Cc3cccc4c5ccccc5oc43)CC2)[nH]1 ZINC000825261518 1044626111 /nfs/dbraw/zinc/62/61/11/1044626111.db2.gz BNYMWVZNRORNMP-UHFFFAOYSA-N 1 1 346.434 4.392 50 0 EIAAMO CC[N@@H+](Cc1ccccc1)[C@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC000012327417 1044733023 /nfs/dbraw/zinc/73/30/23/1044733023.db2.gz JKTHXBOKGOUMQM-NRFANRHFSA-N 1 1 336.479 4.090 50 0 EIAAMO OC[C@H]1CCC[N@H+]1Cc1cccc(OCc2c(F)cccc2Cl)c1 ZINC000828799190 1044998641 /nfs/dbraw/zinc/99/86/41/1044998641.db2.gz XPSNJQZRLYRDBV-OAHLLOKOSA-N 1 1 349.833 4.015 50 0 EIAAMO CCc1ccc(-c2noc(C[N@H+](CC)[C@@H]3CCOC(C)(C)C3)n2)cc1 ZINC000585084874 1049447269 /nfs/dbraw/zinc/44/72/69/1049447269.db2.gz RBDLDYBYVFMYKB-QGZVFWFLSA-N 1 1 343.471 4.079 50 0 EIAAMO Clc1ccc2[nH+]ccc(N3CC[C@H](OCc4ccncc4)C3)c2c1 ZINC000192907187 1049510680 /nfs/dbraw/zinc/51/06/80/1049510680.db2.gz AXKCDIOOULXQDC-INIZCTEOSA-N 1 1 339.826 4.079 50 0 EIAAMO CCOc1ccccc1C[N@H+]1CC[C@H](Cc2ncc(C)n2C(C)C)C1 ZINC000581806484 1060015479 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50 0 EIAAMO COCC[C@H]1CCCC[N@H+]1Cc1nc(-c2ccccc2OC)oc1C ZINC000015064501 563774695 /nfs/dbraw/zinc/77/46/95/563774695.db2.gz DDIHINILDRXDRK-MRXNPFEDSA-N 1 1 344.455 4.050 50 0 EIAAMO Clc1ccccc1[C@H]1CC[N@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000015069357 563775550 /nfs/dbraw/zinc/77/55/50/563775550.db2.gz YEWIRJOZHOFVQG-HNNXBMFYSA-N 1 1 339.826 4.380 50 0 EIAAMO Clc1ccccc1[C@H]1CC[N@@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000015069357 563775554 /nfs/dbraw/zinc/77/55/54/563775554.db2.gz YEWIRJOZHOFVQG-HNNXBMFYSA-N 1 1 339.826 4.380 50 0 EIAAMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2OC)c(OC)c1 ZINC000015367106 563783774 /nfs/dbraw/zinc/78/37/74/563783774.db2.gz FEOJNZMEHAYNIL-SFHVURJKSA-N 1 1 345.414 4.189 50 0 EIAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(F)ccc2OC)c(OC)c1 ZINC000015367106 563783778 /nfs/dbraw/zinc/78/37/78/563783778.db2.gz FEOJNZMEHAYNIL-SFHVURJKSA-N 1 1 345.414 4.189 50 0 EIAAMO CCC[NH+](CCC)CN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O ZINC000016662394 563819761 /nfs/dbraw/zinc/81/97/61/563819761.db2.gz 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4.195 50 0 EIAAMO O=C(c1ccc(C[NH+]2CCSCC2)cc1)c1ccc(Cl)c(F)c1 ZINC000085651272 563973904 /nfs/dbraw/zinc/97/39/04/563973904.db2.gz ICTUXUMKIGBACQ-UHFFFAOYSA-N 1 1 349.858 4.259 50 0 EIAAMO Clc1ccccc1-c1ccc(C[NH+]2CCC(c3nc[nH]n3)CC2)o1 ZINC000093646315 563976398 /nfs/dbraw/zinc/97/63/98/563976398.db2.gz ZPWSXFXUDGXLLL-UHFFFAOYSA-N 1 1 342.830 4.098 50 0 EIAAMO FC(F)C(F)(F)CC[N@H+]1CCC[C@H](c2nccn2CC2CCC2)C1 ZINC000095355099 563976691 /nfs/dbraw/zinc/97/66/91/563976691.db2.gz WWLHRMSNFIDJHQ-AWEZNQCLSA-N 1 1 347.400 4.153 50 0 EIAAMO COC(=O)c1ccc2[nH]cc(C3=CC[N@@H+](Cc4ccccc4)CC3)c2c1 ZINC000095347561 563976698 /nfs/dbraw/zinc/97/66/98/563976698.db2.gz KPXFWUYONUIQPU-UHFFFAOYSA-N 1 1 346.430 4.244 50 0 EIAAMO Cc1ccc(-c2csc(NC(=O)C[NH+]3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000014075315 563983143 /nfs/dbraw/zinc/98/31/43/563983143.db2.gz BYNFQBLCVCLNCF-HUUCEWRRSA-N 1 1 343.496 4.035 50 0 EIAAMO C[N@@H+]1CCN(C(=O)Nc2cccc3ccccc32)[C@H](c2ccccc2)C1 ZINC000085468164 563986348 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CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000103927675 564023328 /nfs/dbraw/zinc/02/33/28/564023328.db2.gz GUCJIVSKSFFESF-CXAGYDPISA-N 1 1 346.471 4.074 50 0 EIAAMO CC(C)[C@H]([NH2+]Cc1csc(-c2ncccn2)n1)c1ccc(F)cc1 ZINC000048684758 564032053 /nfs/dbraw/zinc/03/20/53/564032053.db2.gz ISWMRFCVWHYCRM-INIZCTEOSA-N 1 1 342.443 4.226 50 0 EIAAMO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+]2CCCC[C@@H]2C)o1 ZINC000007525108 564034366 /nfs/dbraw/zinc/03/43/66/564034366.db2.gz JPBKLXZSHIGGHI-ZDUSSCGKSA-N 1 1 338.411 4.074 50 0 EIAAMO CSc1cccc(C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c1 ZINC000012429708 564051346 /nfs/dbraw/zinc/05/13/46/564051346.db2.gz YYURZIRBLUTIHO-NRFANRHFSA-N 1 1 341.520 4.226 50 0 EIAAMO CC[NH+](CC)CCNCc1cn(Cc2ccccc2C)c2ccccc12 ZINC000248175864 564053081 /nfs/dbraw/zinc/05/30/81/564053081.db2.gz ZBSZAUGNGSGIEY-UHFFFAOYSA-N 1 1 349.522 4.429 50 0 EIAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccc(Cl)cc1 ZINC000012575073 564059941 /nfs/dbraw/zinc/05/99/41/564059941.db2.gz 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C[N@@H+](Cc1cc(Cl)ccc1OCc1cccnc1)[C@@H]1CCSC1 ZINC000089350808 564089744 /nfs/dbraw/zinc/08/97/44/564089744.db2.gz SMPLVCOKMGRLMO-QGZVFWFLSA-N 1 1 348.899 4.251 50 0 EIAAMO Cc1c(C)n(Cc2cccnc2)c2nc[nH+]c(NCc3ccccc3)c12 ZINC000006669563 564095703 /nfs/dbraw/zinc/09/57/03/564095703.db2.gz YKOKEPBRDBUGNJ-UHFFFAOYSA-N 1 1 343.434 4.104 50 0 EIAAMO Cc1ccc(NCc2cccc3c2C[N@@H+](C[C@@H]2CCCO2)C3)cc1C ZINC000006745702 564096917 /nfs/dbraw/zinc/09/69/17/564096917.db2.gz QBKLSAPLEXQDDS-NRFANRHFSA-N 1 1 336.479 4.410 50 0 EIAAMO CC[C@H](C)[N@H+](Cc1ccc(C)cc1C)C[C@@H](O)COc1ccccc1 ZINC000169677122 564098067 /nfs/dbraw/zinc/09/80/67/564098067.db2.gz LQUBNQCYDCZJPU-PZJWPPBQSA-N 1 1 341.495 4.344 50 0 EIAAMO C[N@@H+](CCC(=O)N1CCc2ccccc21)Cc1cccc2ccccc21 ZINC000065515325 564106703 /nfs/dbraw/zinc/10/67/03/564106703.db2.gz NCSALUJGIYBWBN-UHFFFAOYSA-N 1 1 344.458 4.251 50 0 EIAAMO COC(=O)c1cc(C[N@H+]2CCC[C@H]2c2ccc(C)c(C)c2)oc1C ZINC000170593953 564108976 /nfs/dbraw/zinc/10/89/76/564108976.db2.gz 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Clc1ccc(-c2ncc(C[NH2+][C@@H]3CCCc4cn[nH]c43)s2)cc1 ZINC000284036983 564148963 /nfs/dbraw/zinc/14/89/63/564148963.db2.gz RMVGYAMMAZAANI-OAHLLOKOSA-N 1 1 344.871 4.354 50 0 EIAAMO Clc1ccc(-c2ncc(C[NH2+][C@@H]3CCCc4c[nH]nc43)s2)cc1 ZINC000284036983 564148964 /nfs/dbraw/zinc/14/89/64/564148964.db2.gz RMVGYAMMAZAANI-OAHLLOKOSA-N 1 1 344.871 4.354 50 0 EIAAMO Cc1cccc(C)c1NC(=S)N1CCC([N@@H+](C)C2CCCC2)CC1 ZINC000003058406 564154801 /nfs/dbraw/zinc/15/48/01/564154801.db2.gz HCHUIMRNZABTAI-UHFFFAOYSA-N 1 1 345.556 4.339 50 0 EIAAMO C[C@@H]1C[C@@H](C)C[NH+]([C@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)C1 ZINC000058012599 564157199 /nfs/dbraw/zinc/15/71/99/564157199.db2.gz DAHVBUUUGZCMAQ-CLCXKQKWSA-N 1 1 348.918 4.418 50 0 EIAAMO CCCC[N@@H+](C)C1CCN(C(=S)Nc2ccccc2CC)CC1 ZINC000003588751 564159085 /nfs/dbraw/zinc/15/90/85/564159085.db2.gz XRTUHNWRPLNHLD-UHFFFAOYSA-N 1 1 333.545 4.142 50 0 EIAAMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1OC(=O)C(c1ccccc1)c1ccccc1 ZINC000004011372 564160026 /nfs/dbraw/zinc/16/00/26/564160026.db2.gz STYAGPHRIVPVTJ-FUHIMQAGSA-N 1 1 337.463 4.090 50 0 EIAAMO COc1cc(OC)c(C[NH2+][C@@H]2CCSc3ccccc32)c(OC)c1 ZINC000008328523 564164483 /nfs/dbraw/zinc/16/44/83/564164483.db2.gz YZGOAMDBQLAIMD-MRXNPFEDSA-N 1 1 345.464 4.039 50 0 EIAAMO C[C@H]1CCC[N@@H+]([C@@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)C1 ZINC000008556824 564165708 /nfs/dbraw/zinc/16/57/08/564165708.db2.gz SACHTOPZGFUHHW-KBXCAEBGSA-N 1 1 334.891 4.172 50 0 EIAAMO C[C@H]1CCC[N@H+]([C@@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)C1 ZINC000008556824 564165709 /nfs/dbraw/zinc/16/57/09/564165709.db2.gz SACHTOPZGFUHHW-KBXCAEBGSA-N 1 1 334.891 4.172 50 0 EIAAMO O=C(NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)c1ccccc1 ZINC000008654810 564166210 /nfs/dbraw/zinc/16/62/10/564166210.db2.gz YSFYAZLRBBJYQC-LJQANCHMSA-N 1 1 342.870 4.297 50 0 EIAAMO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000008752836 564167293 /nfs/dbraw/zinc/16/72/93/564167293.db2.gz CHGMHJXHCWOEEE-GDBMZVCRSA-N 1 1 344.480 4.229 50 0 EIAAMO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000008752836 564167294 /nfs/dbraw/zinc/16/72/94/564167294.db2.gz CHGMHJXHCWOEEE-GDBMZVCRSA-N 1 1 344.480 4.229 50 0 EIAAMO C[C@H](c1cccs1)[N@H+](C)CC(=O)Nc1ccc(F)cc1Cl ZINC000009494270 564173860 /nfs/dbraw/zinc/17/38/60/564173860.db2.gz XRIWATPFUSSVAR-SNVBAGLBSA-N 1 1 326.824 4.172 50 0 EIAAMO C[C@H](c1cccs1)[N@@H+](C)CC(=O)Nc1ccc(F)cc1Cl ZINC000009494270 564173861 /nfs/dbraw/zinc/17/38/61/564173861.db2.gz XRIWATPFUSSVAR-SNVBAGLBSA-N 1 1 326.824 4.172 50 0 EIAAMO Cc1ccc([C@H](C(=O)NC2CCCC2)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000009834799 564174677 /nfs/dbraw/zinc/17/46/77/564174677.db2.gz RWNXKLSXBTXDBA-FUHIMQAGSA-N 1 1 328.500 4.073 50 0 EIAAMO COc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cc(C)cc(C)c2)c1 ZINC000010226002 564175171 /nfs/dbraw/zinc/17/51/71/564175171.db2.gz KLIUFEYFILSISA-FQEVSTJZSA-N 1 1 338.451 4.088 50 0 EIAAMO COc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cc(C)cc(C)c2)c1 ZINC000010226002 564175172 /nfs/dbraw/zinc/17/51/72/564175172.db2.gz KLIUFEYFILSISA-FQEVSTJZSA-N 1 1 338.451 4.088 50 0 EIAAMO Cc1ccsc1C[N@H+]1CCCCCNC(=O)C[C@H]1c1ccccc1 ZINC000257179811 1022650430 /nfs/dbraw/zinc/65/04/30/1022650430.db2.gz JNBIOHUBIWABTD-SFHVURJKSA-N 1 1 342.508 4.290 50 0 EIAAMO CCC(C)(C)C(=O)N1CCC2(C[N@@H+](C(C)C)[C@H]2c2ccccc2)CC1 ZINC000257190893 1022756585 /nfs/dbraw/zinc/75/65/85/1022756585.db2.gz ODHHUBLBQVSNKW-IBGZPJMESA-N 1 1 342.527 4.497 50 0 EIAAMO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]2c2nccs2)cc1C ZINC000011935367 1043755081 /nfs/dbraw/zinc/75/50/81/1043755081.db2.gz HPHQZPUKILICHS-QGZVFWFLSA-N 1 1 338.480 4.487 50 0 EIAAMO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]2c2nccs2)cc1C ZINC000011935367 1043755095 /nfs/dbraw/zinc/75/50/95/1043755095.db2.gz HPHQZPUKILICHS-QGZVFWFLSA-N 1 1 338.480 4.487 50 0 EIAAMO CO[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)C1 ZINC000012300477 1044645354 /nfs/dbraw/zinc/64/53/54/1044645354.db2.gz QZKWQDXNBQDDJD-NRFANRHFSA-N 1 1 347.462 4.355 50 0 EIAAMO CCCC[C@@H]1C[N@H+](Cc2cn(CC)nc2C)Cc2ccccc2O1 ZINC000014983244 1044827374 /nfs/dbraw/zinc/82/73/74/1044827374.db2.gz YTLRVEPVVVRBDU-LJQANCHMSA-N 1 1 327.472 4.165 50 0 EIAAMO CCCC[C@@H]1C[N@@H+](Cc2cn(CC)nc2C)Cc2ccccc2O1 ZINC000014983244 1044827380 /nfs/dbraw/zinc/82/73/80/1044827380.db2.gz YTLRVEPVVVRBDU-LJQANCHMSA-N 1 1 327.472 4.165 50 0 EIAAMO CC[N@@H+](Cc1cccc(OCC(F)(F)F)c1)[C@H]1CCOC(C)(C)C1 ZINC000585084880 1049446735 /nfs/dbraw/zinc/44/67/35/1049446735.db2.gz YFZKXMLHXMBORX-HNNXBMFYSA-N 1 1 345.405 4.407 50 0 EIAAMO Fc1ccc([C@H]2C[N@H+](Cc3cccc(-c4cccnc4)c3)CCO2)cc1 ZINC000179427257 1049567788 /nfs/dbraw/zinc/56/77/88/1049567788.db2.gz IJTXODCUFRTECU-JOCHJYFZSA-N 1 1 348.421 4.461 50 0 EIAAMO Fc1ccc([C@H]2C[N@@H+](Cc3cccc(-c4cccnc4)c3)CCO2)cc1 ZINC000179427257 1049567804 /nfs/dbraw/zinc/56/78/04/1049567804.db2.gz IJTXODCUFRTECU-JOCHJYFZSA-N 1 1 348.421 4.461 50 0 EIAAMO COc1ccc([C@@H](C)[N@@H+](C)Cc2ccc3cccc(OC)c3n2)cc1 ZINC000952962218 1049682190 /nfs/dbraw/zinc/68/21/90/1049682190.db2.gz AYUNKOYYHQGTOX-OAHLLOKOSA-N 1 1 336.435 4.445 50 0 EIAAMO C[C@H](c1ccccn1)[N@@H+](C)C1CCN(c2cccc(Cl)c2)CC1 ZINC000952970691 1049684623 /nfs/dbraw/zinc/68/46/23/1049684623.db2.gz FDFVIWSPNJQZHY-OAHLLOKOSA-N 1 1 329.875 4.397 50 0 EIAAMO COC[C@@H](C)[N@H+](Cc1ccccc1C)Cc1cccc(O)c1Cl ZINC000952985980 1049690687 /nfs/dbraw/zinc/69/06/87/1049690687.db2.gz VFTPLXZTSRQJCS-OAHLLOKOSA-N 1 1 333.859 4.391 50 0 EIAAMO CCCn1c(C)c[nH+]c1[C@H]1CCN(C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000581816245 1060022615 /nfs/dbraw/zinc/02/26/15/1060022615.db2.gz PTVQQYJLMDZCJL-KRWDZBQOSA-N 1 1 340.471 4.240 50 0 EIAAMO C[C@H](c1ccccc1Cl)[N@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000054176044 214222202 /nfs/dbraw/zinc/22/22/02/214222202.db2.gz MHTSNRFJYLDTEK-CYBMUJFWSA-N 1 1 328.843 4.165 50 0 EIAAMO C[C@H](c1ccccc1Cl)[N@@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000054176044 214222205 /nfs/dbraw/zinc/22/22/05/214222205.db2.gz MHTSNRFJYLDTEK-CYBMUJFWSA-N 1 1 328.843 4.165 50 0 EIAAMO C[C@@H](NC(=O)C[N@@H+](C)C1CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000016334365 201974551 /nfs/dbraw/zinc/97/45/51/201974551.db2.gz RKSCDTCXFMBOAF-GFCCVEGCSA-N 1 1 343.298 4.435 50 0 EIAAMO CCc1ccc2c(c1)Sc1ccccc1C[C@@H]2N1CC[NH+](C)CC1 ZINC000019802417 202022040 /nfs/dbraw/zinc/02/20/40/202022040.db2.gz MATADNMOHBGGPF-IBGZPJMESA-N 1 1 338.520 4.245 50 0 EIAAMO C[NH+]1CCN(CC[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000020590846 202050060 /nfs/dbraw/zinc/05/00/60/202050060.db2.gz XKKQWHDMZSAMNH-FQEVSTJZSA-N 1 1 328.887 4.109 50 0 EIAAMO CCOc1ccc(C[N@H+]2CCC[C@H]2c2c(C)noc2CC)cc1OC ZINC000021720954 202069359 /nfs/dbraw/zinc/06/93/59/202069359.db2.gz FITYSZFLZBSASA-INIZCTEOSA-N 1 1 344.455 4.290 50 0 EIAAMO C[C@@H]1C[C@H](C)C[N@H+](CC2CCN(C(=O)Nc3ccccc3F)CC2)C1 ZINC000021718269 202069760 /nfs/dbraw/zinc/06/97/60/202069760.db2.gz PTZAXJNQYRJYTE-IYBDPMFKSA-N 1 1 347.478 4.048 50 0 EIAAMO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(Br)cc1 ZINC000021720210 202069969 /nfs/dbraw/zinc/06/99/69/202069969.db2.gz WIWDFENSIRZYMM-HNNXBMFYSA-N 1 1 335.245 4.391 50 0 EIAAMO Cc1noc(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(Br)cc1 ZINC000021720210 202069973 /nfs/dbraw/zinc/06/99/73/202069973.db2.gz WIWDFENSIRZYMM-HNNXBMFYSA-N 1 1 335.245 4.391 50 0 EIAAMO O=c1[nH]c(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)nc2cc(Cl)ccc21 ZINC000023641007 202106688 /nfs/dbraw/zinc/10/66/88/202106688.db2.gz YPFWVAOXGRJEHB-QWHCGFSZSA-N 1 1 331.847 4.001 50 0 EIAAMO O=c1[nH]c(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)nc2cc(Cl)ccc21 ZINC000023641007 202106692 /nfs/dbraw/zinc/10/66/92/202106692.db2.gz YPFWVAOXGRJEHB-QWHCGFSZSA-N 1 1 331.847 4.001 50 0 EIAAMO C[N@@H+](Cc1nc(-c2cccs2)no1)CC12CC3CC(CC(C3)C1)C2 ZINC000027782623 202160942 /nfs/dbraw/zinc/16/09/42/202160942.db2.gz SRMDRDSPRQSXLY-UHFFFAOYSA-N 1 1 343.496 4.446 50 0 EIAAMO COC(=O)c1oc(C[N@H+](C)[C@@H](C)c2cc3ccccc3o2)cc1C ZINC000032825277 202236133 /nfs/dbraw/zinc/23/61/33/202236133.db2.gz UPLKQRZULKAGEB-ZDUSSCGKSA-N 1 1 327.380 4.314 50 0 EIAAMO COC(=O)c1oc(C[N@@H+](C)[C@@H](C)c2cc3ccccc3o2)cc1C ZINC000032825277 202236137 /nfs/dbraw/zinc/23/61/37/202236137.db2.gz UPLKQRZULKAGEB-ZDUSSCGKSA-N 1 1 327.380 4.314 50 0 EIAAMO Cc1ccc(C)c(C[N@H+](C[C@@H](O)COc2ccccc2C)C(C)C)c1 ZINC000036031682 202312683 /nfs/dbraw/zinc/31/26/83/202312683.db2.gz VPVOOIGJPNHMMI-OAQYLSRUSA-N 1 1 341.495 4.262 50 0 EIAAMO Cc1ccccc1C[N@@H+](CCC(C)C)C[C@H](O)Cc1ccccc1 ZINC000036100048 202314520 /nfs/dbraw/zinc/31/45/20/202314520.db2.gz RPVVSUKCTRLWDZ-JOCHJYFZSA-N 1 1 325.496 4.447 50 0 EIAAMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)no1 ZINC000071876677 202352560 /nfs/dbraw/zinc/35/25/60/202352560.db2.gz BQROWEDMRDIXPZ-IBGZPJMESA-N 1 1 336.439 4.029 50 0 EIAAMO CCCc1noc([C@H](C)[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)n1 ZINC000029832868 201065649 /nfs/dbraw/zinc/06/56/49/201065649.db2.gz RTTVCZHJMCFJPQ-UONOGXRCSA-N 1 1 340.427 4.104 50 0 EIAAMO CCCc1noc([C@H](C)[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)n1 ZINC000029832868 201065653 /nfs/dbraw/zinc/06/56/53/201065653.db2.gz RTTVCZHJMCFJPQ-UONOGXRCSA-N 1 1 340.427 4.104 50 0 EIAAMO CCCC[N@@H+](C)Cc1cc(=O)oc2cc(-c3ccccc3)c(O)cc12 ZINC000002117429 201359110 /nfs/dbraw/zinc/35/91/10/201359110.db2.gz YBLKXYBOJQQOOQ-UHFFFAOYSA-N 1 1 337.419 4.398 50 0 biogenic EIAAMO CC(C)C[N@H+]1CCC[C@H]1c1ccc(C(=O)Nc2cccnc2)s1 ZINC000023251323 212364770 /nfs/dbraw/zinc/36/47/70/212364770.db2.gz SCKSUSVTTVNSRX-HNNXBMFYSA-N 1 1 329.469 4.188 50 0 EIAAMO Cc1ncsc1CC[N@H+](C)Cc1ccc([C@@H]2CCCCO2)s1 ZINC000215004767 241098871 /nfs/dbraw/zinc/09/88/71/241098871.db2.gz LUUAEGMCBUSCML-HNNXBMFYSA-N 1 1 336.526 4.429 50 0 EIAAMO COC[C@H](c1ccccn1)[N@H+](C)Cc1ccc2cccc(Cl)c2n1 ZINC000215095951 241105552 /nfs/dbraw/zinc/10/55/52/241105552.db2.gz PTHIBHCFQNAFTG-GOSISDBHSA-N 1 1 341.842 4.103 50 0 EIAAMO COC[C@H](c1ccccn1)[N@@H+](C)Cc1ccc2cccc(Cl)c2n1 ZINC000215095951 241105557 /nfs/dbraw/zinc/10/55/57/241105557.db2.gz PTHIBHCFQNAFTG-GOSISDBHSA-N 1 1 341.842 4.103 50 0 EIAAMO COC[C@H](c1ccccn1)[N@@H+](C)Cc1cccc(-c2ccc(C)o2)c1 ZINC000215736538 241142756 /nfs/dbraw/zinc/14/27/56/241142756.db2.gz OAAPYOLMHQLDDR-HXUWFJFHSA-N 1 1 336.435 4.470 50 0 EIAAMO COC[C@@H](c1ccccn1)[N@@H+](C)Cc1cccc(-c2ccc(C)o2)c1 ZINC000215736485 241144990 /nfs/dbraw/zinc/14/49/90/241144990.db2.gz OAAPYOLMHQLDDR-FQEVSTJZSA-N 1 1 336.435 4.470 50 0 EIAAMO Cc1n[nH]c(C)c1[C@H](C)[N@H+](C)Cc1cnc(C2CCCCC2)nc1 ZINC000215913805 241154332 /nfs/dbraw/zinc/15/43/32/241154332.db2.gz BOFWUBLIJVBPHK-HNNXBMFYSA-N 1 1 327.476 4.057 50 0 EIAAMO Cc1n[nH]c(C)c1[C@H](C)[N@@H+](C)Cc1cnc(C2CCCCC2)nc1 ZINC000215913805 241154336 /nfs/dbraw/zinc/15/43/36/241154336.db2.gz BOFWUBLIJVBPHK-HNNXBMFYSA-N 1 1 327.476 4.057 50 0 EIAAMO Fc1ccc([C@@H]2CCC[N@H+]2Cc2cnc(-c3ccccn3)nc2)cc1 ZINC000215905955 241154851 /nfs/dbraw/zinc/15/48/51/241154851.db2.gz YFOBINHLHRNNMB-IBGZPJMESA-N 1 1 334.398 4.015 50 0 EIAAMO COc1cc(OC)c(C[N@@H+](C)[C@@H](C)Cc2cc(C)ccn2)cc1Cl ZINC000215476051 241128247 /nfs/dbraw/zinc/12/82/47/241128247.db2.gz GATTZLHVYIIXIE-AWEZNQCLSA-N 1 1 348.874 4.124 50 0 EIAAMO OCCC[N@H+](Cc1cc(C2CCCCC2)no1)Cc1cccs1 ZINC000244763786 243077190 /nfs/dbraw/zinc/07/71/90/243077190.db2.gz OVOPKEGRPZKEJR-UHFFFAOYSA-N 1 1 334.485 4.168 50 0 EIAAMO OCCC[N@@H+](Cc1cc(C2CCCCC2)no1)Cc1cccs1 ZINC000244763786 243077194 /nfs/dbraw/zinc/07/71/94/243077194.db2.gz OVOPKEGRPZKEJR-UHFFFAOYSA-N 1 1 334.485 4.168 50 0 EIAAMO Cc1nc(CC[N@@H+](CCCO)Cc2cccc3ccccc32)cs1 ZINC000244840235 243088945 /nfs/dbraw/zinc/08/89/45/243088945.db2.gz UJKQSNOAAMYPFE-UHFFFAOYSA-N 1 1 340.492 4.032 50 0 EIAAMO Cc1ccsc1C[N@@H+](Cc1cc(-c2ccncc2)no1)C1CC1 ZINC000244873246 243091802 /nfs/dbraw/zinc/09/18/02/243091802.db2.gz WMLQWCGSYFNFDZ-UHFFFAOYSA-N 1 1 325.437 4.271 50 0 EIAAMO CC[C@H](c1nnc(SCC(C)C)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000066316894 202884505 /nfs/dbraw/zinc/88/45/05/202884505.db2.gz ZMWWUSNXOGZTJL-MRXNPFEDSA-N 1 1 348.516 4.037 50 0 EIAAMO FC(F)(F)c1ccccc1CC[C@@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000071388557 203093520 /nfs/dbraw/zinc/09/35/20/203093520.db2.gz ZWAORUUMRQRCMK-AWEZNQCLSA-N 1 1 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/nfs/dbraw/zinc/94/36/70/563943670.db2.gz DYPTVUYFCBBAAY-UHFFFAOYSA-N 1 1 342.442 4.497 50 0 EIAAMO O=C([C@@H]([NH2+]Cc1cc2ccccc2[nH]1)c1ccccc1)N1CCCCC1 ZINC000058472135 563946709 /nfs/dbraw/zinc/94/67/09/563946709.db2.gz HKAVOAZNDGQVOU-NRFANRHFSA-N 1 1 347.462 4.011 50 0 EIAAMO Fc1cccc(-c2cc([C@@H]3CC[N@@H+](Cc4ccncc4)C3)ccn2)c1 ZINC000065505929 563961732 /nfs/dbraw/zinc/96/17/32/563961732.db2.gz JSWDFXAJOMNXOW-LJQANCHMSA-N 1 1 333.410 4.272 50 0 EIAAMO CCOc1ccc(-c2c[nH]c([C@@H]3CCC[N@@H+](CC)C3)n2)cc1OCC ZINC000067605348 563962381 /nfs/dbraw/zinc/96/23/81/563962381.db2.gz FDEDQBRMIFVPHQ-MRXNPFEDSA-N 1 1 343.471 4.073 50 0 EIAAMO CCCn1cc(C2=CC[N@@H+](CCc3c[nH]c4ccccc34)CC2)cn1 ZINC000067847821 563962853 /nfs/dbraw/zinc/96/28/53/563962853.db2.gz PRBHFDIICDZSII-UHFFFAOYSA-N 1 1 334.467 4.106 50 0 EIAAMO CC[C@@H](c1cccnc1)[N@@H+](C)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000067895823 563963041 /nfs/dbraw/zinc/96/30/41/563963041.db2.gz YNJXZYWRRQOUCE-IBGZPJMESA-N 1 1 335.451 4.123 50 0 EIAAMO c1nc2c([nH]1)[C@H](c1cccc3cccnc31)[N@@H+](CC1CCCC1)CC2 ZINC000067935478 563963086 /nfs/dbraw/zinc/96/30/86/563963086.db2.gz RWKKWATYYYVNHO-NRFANRHFSA-N 1 1 332.451 4.096 50 0 EIAAMO NC(=O)c1ccc(C[N@@H+](Cc2ccccc2Cl)C2CCCC2)cc1 ZINC000060562456 563965870 /nfs/dbraw/zinc/96/58/70/563965870.db2.gz TYQOGPAKHHDKOF-UHFFFAOYSA-N 1 1 342.870 4.384 50 0 EIAAMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NCc2ncc(C(C)(C)C)o2)cc1 ZINC000097033728 563966859 /nfs/dbraw/zinc/96/68/59/563966859.db2.gz PLLZWPYEZQEIFV-CQSZACIVSA-N 1 1 338.455 4.317 50 0 EIAAMO Cc1[nH+]ccn1-c1ccc([C@H](C)NCc2ncc(C(C)(C)C)o2)cc1 ZINC000097033729 563966874 /nfs/dbraw/zinc/96/68/74/563966874.db2.gz PLLZWPYEZQEIFV-AWEZNQCLSA-N 1 1 338.455 4.317 50 0 EIAAMO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]Cc1cn2cccnc2n1 ZINC000097111933 563968021 /nfs/dbraw/zinc/96/80/21/563968021.db2.gz XPGZMUJWHGRYDH-CYBMUJFWSA-N 1 1 349.463 4.012 50 0 EIAAMO CSc1ccc(C(=O)c2ccccc2C[NH+]2CCSCC2)cc1 ZINC000085651647 563973868 /nfs/dbraw/zinc/97/38/68/563973868.db2.gz XBTMPSXFNJDSPJ-UHFFFAOYSA-N 1 1 343.517 4.188 50 0 EIAAMO O=C(c1ccc(Cl)cc1)c1ccccc1C[NH+]1CCSCC1 ZINC000085651653 563973872 /nfs/dbraw/zinc/97/38/72/563973872.db2.gz OEYURYYFXMYYIS-UHFFFAOYSA-N 1 1 331.868 4.120 50 0 EIAAMO O=C(c1cccc(Cl)c1)c1ccccc1C[NH+]1CCSCC1 ZINC000085651652 563973890 /nfs/dbraw/zinc/97/38/90/563973890.db2.gz LTBNSFUZRPPHQE-UHFFFAOYSA-N 1 1 331.868 4.120 50 0 EIAAMO CCC(CC)C[N@H+]1CCC[C@@H](c2nccn2Cc2cscn2)C1 ZINC000095355024 563976707 /nfs/dbraw/zinc/97/67/07/563976707.db2.gz SWNPVJSGHHGCAU-MRXNPFEDSA-N 1 1 332.517 4.004 50 0 EIAAMO CCCCn1ccnc1[C@@H]1CCC[N@H+](Cc2csc(CC)n2)C1 ZINC000095379109 563976896 /nfs/dbraw/zinc/97/68/96/563976896.db2.gz OIQIERBEIIWLLZ-OAHLLOKOSA-N 1 1 332.517 4.082 50 0 EIAAMO CCCCn1ccnc1[C@@H]1CCC[N@@H+](Cc2csc(CC)n2)C1 ZINC000095379109 563976897 /nfs/dbraw/zinc/97/68/97/563976897.db2.gz OIQIERBEIIWLLZ-OAHLLOKOSA-N 1 1 332.517 4.082 50 0 EIAAMO Cc1ccc(-c2csc(NC(=O)C[NH+]3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000014075321 563983136 /nfs/dbraw/zinc/98/31/36/563983136.db2.gz BYNFQBLCVCLNCF-GJZGRUSLSA-N 1 1 343.496 4.035 50 0 EIAAMO Cc1ccccc1NC(=S)N1CCC([N@H+](C)CCC(C)C)CC1 ZINC000000261570 563989659 /nfs/dbraw/zinc/98/96/59/563989659.db2.gz NROXIMCJCZJVBN-UHFFFAOYSA-N 1 1 333.545 4.134 50 0 EIAAMO Cc1ccc[nH+]c1N[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000004960720 563993436 /nfs/dbraw/zinc/99/34/36/563993436.db2.gz KEXCDOCNOCJDAJ-FQEVSTJZSA-N 1 1 329.403 4.157 50 0 EIAAMO C[N@H+](CC/C=C1\c2ccccc2CSc2ccccc21)CCCO ZINC000002049822 564003675 /nfs/dbraw/zinc/00/36/75/564003675.db2.gz VLAPRQOFMVJAIG-YBFXNURJSA-N 1 1 339.504 4.428 50 0 EIAAMO CC(/C=C/c1ccccc1)=C\C(=O)OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000005638440 564006887 /nfs/dbraw/zinc/00/68/87/564006887.db2.gz LFSIDNBLRSULJS-JHQOVHHMSA-N 1 1 339.479 4.454 50 0 biogenic EIAAMO CC[N@@H+](C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1)C1CCCCC1 ZINC000102395946 564019984 /nfs/dbraw/zinc/01/99/84/564019984.db2.gz UXWBZOSDJIYNIY-BEFAXECRSA-N 1 1 339.907 4.433 50 0 EIAAMO O[C@H](C[N@H+]1CCC[C@@H]1CCc1ccccc1)c1ccc(F)c(F)c1 ZINC000107335594 564026876 /nfs/dbraw/zinc/02/68/76/564026876.db2.gz YCFGZWFARNPSFM-YLJYHZDGSA-N 1 1 331.406 4.095 50 0 EIAAMO Cc1ccc(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000044877176 564027265 /nfs/dbraw/zinc/02/72/65/564027265.db2.gz QXRSMEXAGMHOIU-SFHVURJKSA-N 1 1 336.479 4.157 50 0 EIAAMO C[N@@H+](Cc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CCCc2ccccc21 ZINC000045679955 564028605 /nfs/dbraw/zinc/02/86/05/564028605.db2.gz RQAROPBHBJPITN-JOCHJYFZSA-N 1 1 348.490 4.432 50 0 EIAAMO O=C(NCCC1=CCCCC1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000048274523 564030581 /nfs/dbraw/zinc/03/05/81/564030581.db2.gz MAKCTTXFVIULRW-LJQANCHMSA-N 1 1 344.474 4.044 50 0 EIAAMO O=C(Nc1ccc(Cl)cc1F)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000048343452 564031258 /nfs/dbraw/zinc/03/12/58/564031258.db2.gz BZNGDXZXBNJRSF-OAHLLOKOSA-N 1 1 346.833 4.330 50 0 EIAAMO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]Cc1cccc(C)n1 ZINC000048783993 564032291 /nfs/dbraw/zinc/03/22/91/564032291.db2.gz CVCWOYXZCOSAMR-UHFFFAOYSA-N 1 1 340.858 4.136 50 0 EIAAMO Cc1cccc(NC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)c1 ZINC000058160821 564035432 /nfs/dbraw/zinc/03/54/32/564035432.db2.gz RHSCHAGDAHBHAP-UHFFFAOYSA-N 1 1 330.431 4.313 50 0 EIAAMO c1ccc(C[NH+]2CCC(NCc3ccccc3N3CCCC3)CC2)cc1 ZINC000058165463 564035583 /nfs/dbraw/zinc/03/55/83/564035583.db2.gz AIGZPVSOPWVZAN-UHFFFAOYSA-N 1 1 349.522 4.041 50 0 EIAAMO COc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)c(OC)c1OC ZINC000040007497 564044259 /nfs/dbraw/zinc/04/42/59/564044259.db2.gz DMJJXCZPWRZWFS-ZDUSSCGKSA-N 1 1 333.403 4.045 50 0 EIAAMO Cc1cccc(N2CC[NH+](Cc3cc(-c4ccccc4)no3)CC2)c1C ZINC000012592999 564060267 /nfs/dbraw/zinc/06/02/67/564060267.db2.gz VXCFBVNQHBMVQD-UHFFFAOYSA-N 1 1 347.462 4.281 50 0 EIAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cc2ccccc2o1 ZINC000005446976 564062501 /nfs/dbraw/zinc/06/25/01/564062501.db2.gz NTQOHBOQTGDRHH-MJGOQNOKSA-N 1 1 346.430 4.189 50 0 EIAAMO Cc1cc2oc(=O)cc(C[N@H+]3CC[C@@H](c4ccccc4)C3)c2cc1C ZINC000084128968 564066834 /nfs/dbraw/zinc/06/68/34/564066834.db2.gz AQZOIWPKADJPLD-GOSISDBHSA-N 1 1 333.431 4.399 50 0 EIAAMO CC(C)=C[C@@H]1[C@@H](C(=O)NCc2ccccc2-n2cc[nH+]c2C)C1(C)C ZINC000084291118 564067657 /nfs/dbraw/zinc/06/76/57/564067657.db2.gz ONHDZISBUHMLLJ-MJGOQNOKSA-N 1 1 337.467 4.035 50 0 EIAAMO Cc1cccc(C[N@@H+]2CC=C(C(=O)Nc3cc(C)cc(C)c3)CC2)c1 ZINC000015861050 564076964 /nfs/dbraw/zinc/07/69/64/564076964.db2.gz QIKCRNHCKKABJR-UHFFFAOYSA-N 1 1 334.463 4.383 50 0 EIAAMO CCc1ccc([C@@H](C)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)o1 ZINC000090667706 564085835 /nfs/dbraw/zinc/08/58/35/564085835.db2.gz HFUDNXZUWOLPKJ-HZPDHXFCSA-N 1 1 327.472 4.113 50 0 EIAAMO OC[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1 ZINC000092764554 564089118 /nfs/dbraw/zinc/08/91/18/564089118.db2.gz QVYIOGJUYQKFGZ-NSHDSACASA-N 1 1 326.223 4.068 50 0 EIAAMO Cc1c(O)ccc2c(C[N@@H+](C)Cc3ccc(Cl)cc3)cc(=O)oc12 ZINC000089537084 564092759 /nfs/dbraw/zinc/09/27/59/564092759.db2.gz BFNGQARTKHMTHO-UHFFFAOYSA-N 1 1 343.810 4.092 50 0 EIAAMO Cn1c2ccc(F)cc2[nH+]c1NCc1cnc(-c2ccco2)s1 ZINC000192756858 564093101 /nfs/dbraw/zinc/09/31/01/564093101.db2.gz ZHJDPHDPWGARJI-UHFFFAOYSA-N 1 1 328.372 4.041 50 0 EIAAMO Cc1ccc(C[N@@H+](CC(C)C)C[C@H](O)COc2ccccc2C)s1 ZINC000036100961 564096096 /nfs/dbraw/zinc/09/60/96/564096096.db2.gz RKDBLTLAUUYWFF-SFHVURJKSA-N 1 1 347.524 4.263 50 0 EIAAMO Cc1cccc(C[N@@H+](CCC(C)C)C[C@H](O)Cc2ccccc2)c1 ZINC000036100727 564096114 /nfs/dbraw/zinc/09/61/14/564096114.db2.gz BIOYMHAMZGLMAX-JOCHJYFZSA-N 1 1 325.496 4.447 50 0 EIAAMO Cc1ccc(C)c(NC(=O)[C@H]([NH2+]Cc2ccncc2)c2ccccc2)c1 ZINC000006831175 564099155 /nfs/dbraw/zinc/09/91/55/564099155.db2.gz AGIIBNLAXJTNOW-OAQYLSRUSA-N 1 1 345.446 4.168 50 0 EIAAMO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCC[C@H]1c1cccs1 ZINC000036395153 564100655 /nfs/dbraw/zinc/10/06/55/564100655.db2.gz AFTCZMDVYJXYRJ-BBRMVZONSA-N 1 1 348.899 4.243 50 0 EIAAMO Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+](C)C(C1CC1)C1CC1 ZINC000065243376 564103323 /nfs/dbraw/zinc/10/33/23/564103323.db2.gz QLDQOIFVTFEQDP-UHFFFAOYSA-N 1 1 329.875 4.455 50 0 EIAAMO Fc1ccc(-c2cc3n(n2)CCC[N@H+](Cc2cccc(F)c2)C3)cc1 ZINC000065270433 564103833 /nfs/dbraw/zinc/10/38/33/564103833.db2.gz HRSKKBNQYQQPFD-UHFFFAOYSA-N 1 1 339.389 4.234 50 0 EIAAMO Fc1ccc(-c2cc3n(n2)CCC[N@@H+](Cc2cccc(F)c2)C3)cc1 ZINC000065270433 564103834 /nfs/dbraw/zinc/10/38/34/564103834.db2.gz HRSKKBNQYQQPFD-UHFFFAOYSA-N 1 1 339.389 4.234 50 0 EIAAMO CCOC(COc1ccccc1C[N@H+](CC)Cc1ccoc1)OCC ZINC000170601666 564109384 /nfs/dbraw/zinc/10/93/84/564109384.db2.gz LFVNGVNMKBSPBH-UHFFFAOYSA-N 1 1 347.455 4.080 50 0 EIAAMO CCOC(COc1ccccc1C[N@@H+](CC)Cc1ccoc1)OCC ZINC000170601666 564109385 /nfs/dbraw/zinc/10/93/85/564109385.db2.gz LFVNGVNMKBSPBH-UHFFFAOYSA-N 1 1 347.455 4.080 50 0 EIAAMO Cc1cc(C)c(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)c(C)c1 ZINC000007524281 564109798 /nfs/dbraw/zinc/10/97/98/564109798.db2.gz 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CCOc1ccc(C[N@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000007687044 564121930 /nfs/dbraw/zinc/12/19/30/564121930.db2.gz ACHSMKXLETYGHO-UHFFFAOYSA-N 1 1 340.467 4.081 50 0 EIAAMO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000007687044 564121931 /nfs/dbraw/zinc/12/19/31/564121931.db2.gz ACHSMKXLETYGHO-UHFFFAOYSA-N 1 1 340.467 4.081 50 0 EIAAMO O=C(c1cccc(C[N@H+]2CCC[C@H]2c2cccnc2)c1)N1CCCCC1 ZINC000253420165 564131006 /nfs/dbraw/zinc/13/10/06/564131006.db2.gz VTVAZPTVTCHLQO-NRFANRHFSA-N 1 1 349.478 4.045 50 0 EIAAMO Cc1ccccc1NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000056528484 564132902 /nfs/dbraw/zinc/13/29/02/564132902.db2.gz WQEJRYFAHPBPTO-UHFFFAOYSA-N 1 1 329.488 4.115 50 0 EIAAMO O=C(CC[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1)N1CCCCC1 ZINC000095349850 564139227 /nfs/dbraw/zinc/13/92/27/564139227.db2.gz TXBDSNOKOVACMM-JOCHJYFZSA-N 1 1 348.490 4.037 50 0 EIAAMO CC(=O)Nc1ccc(C(=O)[C@H](C)[N@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000095351115 564139268 /nfs/dbraw/zinc/13/92/68/564139268.db2.gz 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/nfs/dbraw/zinc/96/27/33/563962733.db2.gz RGXYXUIGHCIZLW-UHFFFAOYSA-N 1 1 328.419 4.053 50 0 EIAAMO CC[C@H]1CCCC[N@@H+]1c1ccc2c(c1)CCCN2Cc1nc(C)no1 ZINC000097141125 563968290 /nfs/dbraw/zinc/96/82/90/563968290.db2.gz ZFQIWUGZORUVTE-KRWDZBQOSA-N 1 1 340.471 4.100 50 0 EIAAMO CC[C@H]1CCCC[N@H+]1c1ccc2c(c1)CCCN2Cc1nc(C)no1 ZINC000097141125 563968291 /nfs/dbraw/zinc/96/82/91/563968291.db2.gz ZFQIWUGZORUVTE-KRWDZBQOSA-N 1 1 340.471 4.100 50 0 EIAAMO Clc1cncc(Cl)c1C[N@@H+]1CCCC[C@H]1CCn1ccnc1 ZINC000077555972 563970331 /nfs/dbraw/zinc/97/03/31/563970331.db2.gz HJAPRLGNWDPINW-ZDUSSCGKSA-N 1 1 339.270 4.030 50 0 EIAAMO Clc1cncc(Cl)c1C[N@H+]1CCCC[C@H]1CCn1ccnc1 ZINC000077555972 563970332 /nfs/dbraw/zinc/97/03/32/563970332.db2.gz HJAPRLGNWDPINW-ZDUSSCGKSA-N 1 1 339.270 4.030 50 0 EIAAMO Fc1cc(C[NH+]2CCC(c3nccn3CC3CC3)CC2)cc(F)c1F ZINC000082086594 563972001 /nfs/dbraw/zinc/97/20/01/563972001.db2.gz ZKIAIPMMBJBIBN-UHFFFAOYSA-N 1 1 349.400 4.090 50 0 EIAAMO Fc1cc(CN2CCC(c3[nH+]ccn3CC3CC3)CC2)cc(F)c1F ZINC000082086594 563972002 /nfs/dbraw/zinc/97/20/02/563972002.db2.gz ZKIAIPMMBJBIBN-UHFFFAOYSA-N 1 1 349.400 4.090 50 0 EIAAMO c1cn(CC2CC2)c(C2CCN(c3nc4ccccc4s3)CC2)[nH+]1 ZINC000082121667 563972503 /nfs/dbraw/zinc/97/25/03/563972503.db2.gz JCEHNVROAVFUAW-UHFFFAOYSA-N 1 1 338.480 4.287 50 0 EIAAMO O=C(c1ccc(Cl)cc1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000085651253 563973894 /nfs/dbraw/zinc/97/38/94/563973894.db2.gz ANQGVAIRLACHRT-UHFFFAOYSA-N 1 1 331.868 4.120 50 0 EIAAMO C[N@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ccccc3)CC2)C1 ZINC000095352348 563976713 /nfs/dbraw/zinc/97/67/13/563976713.db2.gz VYVKGRXMRSOHTB-OAQYLSRUSA-N 1 1 348.490 4.028 50 0 EIAAMO O=C(CCC[N@@H+]1CC=C(Oc2ccc(F)cc2)CC1)c1ccccc1 ZINC000095918164 563977740 /nfs/dbraw/zinc/97/77/40/563977740.db2.gz WXBHXOVUYJHQCG-UHFFFAOYSA-N 1 1 339.410 4.457 50 0 EIAAMO Cc1nc2n[nH]c(N)c2c(C)c1-c1ccc([C@H](C)[NH+]2CCCCC2)cc1 ZINC000096140016 563979489 /nfs/dbraw/zinc/97/94/89/563979489.db2.gz 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338.411 4.029 50 0 EIAAMO CC(C)c1noc([C@@H](C)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)n1 ZINC000225615762 564048468 /nfs/dbraw/zinc/04/84/68/564048468.db2.gz JTCSSKWSNMLIMV-SJLPKXTDSA-N 1 1 344.503 4.000 50 0 EIAAMO COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@@H+]2Cc2nnc(C)o2)c1 ZINC000240886193 564051824 /nfs/dbraw/zinc/05/18/24/564051824.db2.gz INQIVRNLMDHJOU-TZIWHRDSSA-N 1 1 349.434 4.117 50 0 EIAAMO COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@H+]2Cc2nnc(C)o2)c1 ZINC000240886193 564051825 /nfs/dbraw/zinc/05/18/25/564051825.db2.gz INQIVRNLMDHJOU-TZIWHRDSSA-N 1 1 349.434 4.117 50 0 EIAAMO COc1ccc([C@@H]2C[N@@H+](C)C[C@H]2C(=O)c2ccc(C)cc2)cc1Cl ZINC000248143094 564053044 /nfs/dbraw/zinc/05/30/44/564053044.db2.gz GJASQCPZJSUPBP-DLBZAZTESA-N 1 1 343.854 4.185 50 0 EIAAMO Cc1ccc(-n2cccn2)c(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)c1 ZINC000015062965 564053218 /nfs/dbraw/zinc/05/32/18/564053218.db2.gz MKGPXSDMTYPBPO-OAQYLSRUSA-N 1 1 346.478 4.257 50 0 EIAAMO O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@@H+](Cc2ccoc2)C1 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50 0 EIAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc(C)c2C)cc1 ZINC000012929932 564078654 /nfs/dbraw/zinc/07/86/54/564078654.db2.gz XHSVTXICHWNSFN-FQEVSTJZSA-N 1 1 338.451 4.088 50 0 EIAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cccc(C)c2C)cc1 ZINC000012929932 564078655 /nfs/dbraw/zinc/07/86/55/564078655.db2.gz XHSVTXICHWNSFN-FQEVSTJZSA-N 1 1 338.451 4.088 50 0 EIAAMO CC[N@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3ccccn3)CC2)C1 ZINC000091831112 564087966 /nfs/dbraw/zinc/08/79/66/564087966.db2.gz RCXOWMCGOXKXPG-OAQYLSRUSA-N 1 1 349.522 4.173 50 0 EIAAMO CCc1ccc(CN2CC[N@H+]3CCC[C@H]3[C@H]2C2CCCCC2)cc1 ZINC000239415233 564088121 /nfs/dbraw/zinc/08/81/21/564088121.db2.gz UAPMFWFLFBRFLV-FCHUYYIVSA-N 1 1 326.528 4.478 50 0 EIAAMO CCc1ccc(C[N@@H+]2CCN3CCC[C@H]3[C@H]2C2CCCCC2)cc1 ZINC000239415233 564088122 /nfs/dbraw/zinc/08/81/22/564088122.db2.gz UAPMFWFLFBRFLV-FCHUYYIVSA-N 1 1 326.528 4.478 50 0 EIAAMO CCc1ccc(C[N@H+]2CCN3CCC[C@H]3[C@H]2C2CCCCC2)cc1 ZINC000239415233 564088123 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/nfs/dbraw/zinc/11/84/39/564118439.db2.gz CHGMHJXHCWOEEE-HOCLYGCPSA-N 1 1 344.480 4.229 50 0 EIAAMO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000252444010 564118462 /nfs/dbraw/zinc/11/84/62/564118462.db2.gz OIWCBYBVRZEGJY-STQMWFEESA-N 1 1 341.282 4.444 50 0 EIAAMO O=C(C[N@H+]1CC[C@@H]2CCCC[C@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000252444010 564118463 /nfs/dbraw/zinc/11/84/63/564118463.db2.gz OIWCBYBVRZEGJY-STQMWFEESA-N 1 1 341.282 4.444 50 0 EIAAMO COc1ccc(C[N@H+](CC(=O)c2c(C)[nH]c3ccccc32)C2CC2)cc1 ZINC000007662027 564121715 /nfs/dbraw/zinc/12/17/15/564121715.db2.gz JVZREJXHIHGEDE-UHFFFAOYSA-N 1 1 348.446 4.332 50 0 EIAAMO COc1ccc(C[N@@H+](CC(=O)c2c(C)[nH]c3ccccc32)C2CC2)cc1 ZINC000007662027 564121716 /nfs/dbraw/zinc/12/17/16/564121716.db2.gz JVZREJXHIHGEDE-UHFFFAOYSA-N 1 1 348.446 4.332 50 0 EIAAMO COc1ccc(C[N@H+](C)[C@@H](C)c2nnc(-c3cccc(C)c3)o2)cc1 ZINC000007682656 564121886 /nfs/dbraw/zinc/12/18/86/564121886.db2.gz NOOTWGBWDJAQTD-HNNXBMFYSA-N 1 1 337.423 4.247 50 0 EIAAMO COc1ccc(C[N@@H+](C)[C@@H](C)c2nnc(-c3cccc(C)c3)o2)cc1 ZINC000007682656 564121887 /nfs/dbraw/zinc/12/18/87/564121887.db2.gz NOOTWGBWDJAQTD-HNNXBMFYSA-N 1 1 337.423 4.247 50 0 EIAAMO Cc1cccc(NC(=O)C[N@H+](Cc2ccc(F)cc2)C2CC2)c1C ZINC000007757080 564122738 /nfs/dbraw/zinc/12/27/38/564122738.db2.gz ZXZSUEUGSBRKSZ-UHFFFAOYSA-N 1 1 326.415 4.046 50 0 EIAAMO Cc1cccc(NC(=O)C[N@@H+](Cc2ccc(F)cc2)C2CC2)c1C ZINC000007757080 564122739 /nfs/dbraw/zinc/12/27/39/564122739.db2.gz ZXZSUEUGSBRKSZ-UHFFFAOYSA-N 1 1 326.415 4.046 50 0 EIAAMO Cc1cc(C)cc(NC(=O)C[N@H+](Cc2ccc(F)cc2)C2CC2)c1 ZINC000007788345 564123340 /nfs/dbraw/zinc/12/33/40/564123340.db2.gz ATAGHRSPPHUNCB-UHFFFAOYSA-N 1 1 326.415 4.046 50 0 EIAAMO Cc1cc(C)cc(NC(=O)C[N@@H+](Cc2ccc(F)cc2)C2CC2)c1 ZINC000007788345 564123341 /nfs/dbraw/zinc/12/33/41/564123341.db2.gz ATAGHRSPPHUNCB-UHFFFAOYSA-N 1 1 326.415 4.046 50 0 EIAAMO CC(C)[C@H](C)[N@H+]1Cc2cccc(NCc3nnsc3Cl)c2C1 ZINC000195537974 564123637 /nfs/dbraw/zinc/12/36/37/564123637.db2.gz OJURGRXSPDOWKP-NSHDSACASA-N 1 1 336.892 4.164 50 0 EIAAMO O[C@H](C[C@@H]1CCCCC[N@@H+]1Cc1ncc(C2CC2)o1)c1ccco1 ZINC000253416133 564130747 /nfs/dbraw/zinc/13/07/47/564130747.db2.gz WJVHRCCVMUSQPT-JKSUJKDBSA-N 1 1 330.428 4.013 50 0 EIAAMO O[C@H](C[C@@H]1CCCCC[N@H+]1Cc1ncc(C2CC2)o1)c1ccco1 ZINC000253416133 564130748 /nfs/dbraw/zinc/13/07/48/564130748.db2.gz WJVHRCCVMUSQPT-JKSUJKDBSA-N 1 1 330.428 4.013 50 0 EIAAMO CC(C)[N@H+]1CC[C@H](Nc2nc(-c3cccs3)nc3ccccc32)C1 ZINC000095377631 564139366 /nfs/dbraw/zinc/13/93/66/564139366.db2.gz IEOBRRPCNMSPQH-AWEZNQCLSA-N 1 1 338.480 4.253 50 0 EIAAMO C[C@H]1C[C@@H](c2ccsc2)C[N@H+]1Cc1nnc(-c2cccs2)o1 ZINC000095401050 564139494 /nfs/dbraw/zinc/13/94/94/564139494.db2.gz WYOQIJNWQJCASY-WCQYABFASA-N 1 1 331.466 4.238 50 0 EIAAMO C[C@H]([NH2+]Cc1cc(C(N)=O)cs1)c1cc(F)c(Cl)cc1Cl ZINC000095427492 564140259 /nfs/dbraw/zinc/14/02/59/564140259.db2.gz GCFKDCMWTOFIJR-ZETCQYMHSA-N 1 1 347.242 4.144 50 0 EIAAMO COc1ccc(CC[NH2+][C@H](CCc2ccccc2)C(F)F)cc1OC ZINC000095466808 564141074 /nfs/dbraw/zinc/14/10/74/564141074.db2.gz JPVUBCYISOBDQU-QGZVFWFLSA-N 1 1 349.421 4.102 50 0 EIAAMO COc1ccccc1Oc1ccc(C[NH2+][C@H](C)c2cnccn2)cc1 ZINC000095967874 564143101 /nfs/dbraw/zinc/14/31/01/564143101.db2.gz ZANBYDZPEWZJRD-OAHLLOKOSA-N 1 1 335.407 4.128 50 0 EIAAMO Clc1ccc(-c2ncc(C[NH2+][C@H]3CCCc4cn[nH]c43)s2)cc1 ZINC000284036979 564148986 /nfs/dbraw/zinc/14/89/86/564148986.db2.gz RMVGYAMMAZAANI-HNNXBMFYSA-N 1 1 344.871 4.354 50 0 EIAAMO Clc1ccc(-c2ncc(C[NH2+][C@H]3CCCc4c[nH]nc43)s2)cc1 ZINC000284036979 564148987 /nfs/dbraw/zinc/14/89/87/564148987.db2.gz RMVGYAMMAZAANI-HNNXBMFYSA-N 1 1 344.871 4.354 50 0 EIAAMO CC(C)c1cccc(O[C@@H](C)C(=O)Nc2cccc3c2C[N@H+](C)C3)c1 ZINC000225746583 564150457 /nfs/dbraw/zinc/15/04/57/564150457.db2.gz SVTYXZCFNRGOQM-HNNXBMFYSA-N 1 1 338.451 4.161 50 0 EIAAMO CC(C)c1cccc(O[C@@H](C)C(=O)Nc2cccc3c2C[N@@H+](C)C3)c1 ZINC000225746583 564150458 /nfs/dbraw/zinc/15/04/58/564150458.db2.gz SVTYXZCFNRGOQM-HNNXBMFYSA-N 1 1 338.451 4.161 50 0 EIAAMO c1ccc(COc2ccc(-c3noc(C[NH+]4CCCCC4)n3)cc2)cc1 ZINC000057427719 564154264 /nfs/dbraw/zinc/15/42/64/564154264.db2.gz WWPRZDUYTBHWTK-UHFFFAOYSA-N 1 1 349.434 4.302 50 0 EIAAMO CCCC[N@@H+](C)C1CCN(C(=S)Nc2c(C)cccc2C)CC1 ZINC000003588728 564159097 /nfs/dbraw/zinc/15/90/97/564159097.db2.gz OEKNJNVUCXOILL-UHFFFAOYSA-N 1 1 333.545 4.197 50 0 EIAAMO O=C(Cc1cccc2ccccc21)OC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000004029563 564160122 /nfs/dbraw/zinc/16/01/22/564160122.db2.gz QWMBISUDXDWQJQ-CTNGQTDRSA-N 1 1 337.463 4.190 50 0 biogenic EIAAMO C[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)[C@@H]1CCCc2ccccc21 ZINC000008266663 564163871 /nfs/dbraw/zinc/16/38/71/564163871.db2.gz WQIDDIHNXZMZHP-MRXNPFEDSA-N 1 1 348.368 4.052 50 0 EIAAMO CCc1cccc2c(=O)c(C[N@H+]3CCc4ccccc4C3)c(C)[nH]c12 ZINC000008717568 564166773 /nfs/dbraw/zinc/16/67/73/564166773.db2.gz UPUSOFJTQWKCSY-UHFFFAOYSA-N 1 1 332.447 4.370 50 0 EIAAMO Cc1ccccc1[C@H]1CCC[N@H+]1Cc1csc(-c2ncccn2)n1 ZINC000040153681 564168410 /nfs/dbraw/zinc/16/84/10/564168410.db2.gz ZRAPWCIKICLUMA-QGZVFWFLSA-N 1 1 336.464 4.246 50 0 EIAAMO C[N@H+](CCc1ccccc1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000009495111 564173884 /nfs/dbraw/zinc/17/38/84/564173884.db2.gz BZWTYRHVHZSJJQ-UHFFFAOYSA-N 1 1 337.250 4.106 50 0 EIAAMO C[N@@H+](CCc1ccccc1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000009495111 564173885 /nfs/dbraw/zinc/17/38/85/564173885.db2.gz BZWTYRHVHZSJJQ-UHFFFAOYSA-N 1 1 337.250 4.106 50 0 EIAAMO C[C@@H](c1cccs1)[N@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000009494273 564173888 /nfs/dbraw/zinc/17/38/88/564173888.db2.gz CLKFOQWWQGCVFF-NSHDSACASA-N 1 1 342.386 4.398 50 0 EIAAMO C[C@@H](c1cccs1)[N@@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000009494273 564173889 /nfs/dbraw/zinc/17/38/89/564173889.db2.gz CLKFOQWWQGCVFF-NSHDSACASA-N 1 1 342.386 4.398 50 0 EIAAMO Cc1c2ccccc2oc1[C@@H]([NH2+]Cc1cn(C(C)C)nn1)C(C)C ZINC000289701659 1022221599 /nfs/dbraw/zinc/22/15/99/1022221599.db2.gz KQCUPEQQENRGOR-SFHVURJKSA-N 1 1 326.444 4.401 50 0 EIAAMO Cc1cccc(Oc2cc(C[NH2+][C@H]3CCCn4ccnc43)ccn2)c1C ZINC000888094083 1025934703 /nfs/dbraw/zinc/93/47/03/1025934703.db2.gz GEECUEZBWJCRKQ-SFHVURJKSA-N 1 1 348.450 4.312 50 0 EIAAMO C/C=C(\C)C[N@H+]1CCC[C@@H](CNC(=O)c2cccc3ccccc32)C1 ZINC000012712813 1044493393 /nfs/dbraw/zinc/49/33/93/1044493393.db2.gz NFFMUUDELKWIJT-KAKVSTIOSA-N 1 1 336.479 4.248 50 0 EIAAMO COc1cccc(C[C@]2(CO)CCC[N@@H+](CCCC3CCCC3)C2)c1 ZINC000012589905 1044914561 /nfs/dbraw/zinc/91/45/61/1044914561.db2.gz QCLKEQMJODSKTP-JOCHJYFZSA-N 1 1 345.527 4.283 50 0 EIAAMO Cc1[nH+]ccn1Cc1ccccc1NC(=O)c1ccccc1Cl ZINC000828180150 1044947228 /nfs/dbraw/zinc/94/72/28/1044947228.db2.gz OQOPFDMFEKXMOW-UHFFFAOYSA-N 1 1 325.799 4.146 50 0 EIAAMO CC/C=C(/C[N@@H+](C)C[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccccc1 ZINC000952869406 1049678192 /nfs/dbraw/zinc/67/81/92/1049678192.db2.gz IGWMRFXYEGQRHY-KLSKMWHSSA-N 1 1 328.500 4.059 50 0 EIAAMO FC(F)(F)CN1CC[NH+](Cc2cccc3c4ccccc4oc32)CC1 ZINC000952868820 1049679329 /nfs/dbraw/zinc/67/93/29/1049679329.db2.gz HEBBYRRXDRQOLT-UHFFFAOYSA-N 1 1 348.368 4.266 50 0 EIAAMO CN(CC[N@@H+](C)C1CCCC1)C(=O)c1cccc(-c2ccccc2)c1 ZINC000952967222 1049686655 /nfs/dbraw/zinc/68/66/55/1049686655.db2.gz ASWAQPNGEVSMOI-UHFFFAOYSA-N 1 1 336.479 4.300 50 0 EIAAMO CCC[N@H+](Cc1sc(C)nc1C(F)(F)F)C[C@H]1CCCCO1 ZINC000183611526 1051184244 /nfs/dbraw/zinc/18/42/44/1051184244.db2.gz XWKAMMOLKBVQBZ-GFCCVEGCSA-N 1 1 336.423 4.251 50 0 EIAAMO COCCC[N@H+]1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067491124 215154461 /nfs/dbraw/zinc/15/44/61/215154461.db2.gz KWJAZGRZRIBHDT-UHFFFAOYSA-N 1 1 347.462 4.138 50 0 EIAAMO O=C(Nc1cccc2ccccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019597529 202015684 /nfs/dbraw/zinc/01/56/84/202015684.db2.gz RFMHQGJRWXPKJH-UHFFFAOYSA-N 1 1 345.446 4.190 50 0 EIAAMO CC[C@@H]([NH2+]Cc1nc(-c2ccc(F)cc2)no1)c1ccc(OC)cc1 ZINC000040012139 213250792 /nfs/dbraw/zinc/25/07/92/213250792.db2.gz AEFWAZPKCOPZCO-QGZVFWFLSA-N 1 1 341.386 4.125 50 0 EIAAMO c1ccc(C[NH+]2CCN([C@@H]3CCCSc4ccccc43)CC2)cc1 ZINC000019802139 202021775 /nfs/dbraw/zinc/02/17/75/202021775.db2.gz DWOMXKJFILUXON-HXUWFJFHSA-N 1 1 338.520 4.431 50 0 EIAAMO CCc1cccc2c1Sc1ccccc1C[C@H]2N1CC[NH+](C)CC1 ZINC000019802452 202022372 /nfs/dbraw/zinc/02/23/72/202022372.db2.gz LVLNODDWMIJOHQ-LJQANCHMSA-N 1 1 338.520 4.245 50 0 EIAAMO CCN(CC)CC[NH2+]Cc1ccc(-c2ccc(OC)c(Cl)c2)o1 ZINC000019872535 202024214 /nfs/dbraw/zinc/02/42/14/202024214.db2.gz NFDHQWVZZRYFDU-UHFFFAOYSA-N 1 1 336.863 4.040 50 0 EIAAMO C/C=C(\C)C(=O)Nc1ccccc1C[C@@H]1c2ccccc2CC[N@@H+]1C ZINC000020412878 202042128 /nfs/dbraw/zinc/04/21/28/202042128.db2.gz MFIHINBTMKETRH-MYNVMIGVSA-N 1 1 334.463 4.363 50 0 EIAAMO Clc1ccccc1[C@@H]1CC[N@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000020452558 202042921 /nfs/dbraw/zinc/04/29/21/202042921.db2.gz VKHGZASQUGBVCA-GFCCVEGCSA-N 1 1 345.855 4.441 50 0 EIAAMO Clc1ccccc1[C@@H]1CC[N@@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000020452558 202042922 /nfs/dbraw/zinc/04/29/22/202042922.db2.gz VKHGZASQUGBVCA-GFCCVEGCSA-N 1 1 345.855 4.441 50 0 EIAAMO CC[N@@H+](Cc1ccncc1)[C@@H]1CCCN(Cc2cc3ccccc3[nH]2)C1 ZINC000022926596 202094984 /nfs/dbraw/zinc/09/49/84/202094984.db2.gz MQMJHJBSJFAGNI-OAQYLSRUSA-N 1 1 348.494 4.049 50 0 EIAAMO CCN(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000022926596 202094987 /nfs/dbraw/zinc/09/49/87/202094987.db2.gz MQMJHJBSJFAGNI-OAQYLSRUSA-N 1 1 348.494 4.049 50 0 EIAAMO CCN(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000022926596 202094990 /nfs/dbraw/zinc/09/49/90/202094990.db2.gz MQMJHJBSJFAGNI-OAQYLSRUSA-N 1 1 348.494 4.049 50 0 EIAAMO Fc1ccccc1-c1noc2c1C[N@H+](C1Cc3ccccc3C1)CC2 ZINC000023129153 202099204 /nfs/dbraw/zinc/09/92/04/202099204.db2.gz VWHKVNCHFCUYJY-UHFFFAOYSA-N 1 1 334.394 4.006 50 0 EIAAMO CC(C)(C)C[N@H+]1CCC[C@@H]1c1ccc(C(=O)NCC(F)(F)F)s1 ZINC000023251056 202101058 /nfs/dbraw/zinc/10/10/58/202101058.db2.gz QZOBGVYNOOWBOS-LLVKDONJSA-N 1 1 348.434 4.223 50 0 EIAAMO Cc1c(O)ccc2c(C[N@H+](C)[C@@H](C)c3cccs3)cc(=O)oc12 ZINC000027554850 202155881 /nfs/dbraw/zinc/15/58/81/202155881.db2.gz GFDIADMBAODXEO-LBPRGKRZSA-N 1 1 329.421 4.062 50 0 EIAAMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccccc1F ZINC000027583768 202156972 /nfs/dbraw/zinc/15/69/72/202156972.db2.gz QRHYONXGROQRHJ-GOSISDBHSA-N 1 1 346.833 4.046 50 0 EIAAMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc2ccccc21 ZINC000031565963 202206657 /nfs/dbraw/zinc/20/66/57/202206657.db2.gz FUBJWUGGYWTTHI-HXUWFJFHSA-N 1 1 344.458 4.234 50 0 EIAAMO Cc1ccccc1C[N@H+](Cc1ccccc1)C[C@H](O)COCC(C)C ZINC000036104430 202316614 /nfs/dbraw/zinc/31/66/14/202316614.db2.gz HGLGIIGXLBHRNF-QFIPXVFZSA-N 1 1 341.495 4.031 50 0 EIAAMO CC[C@H](C)[N@H+](Cc1cc(C)ccc1C)C[C@H](O)COc1ccccc1 ZINC000036103884 202316777 /nfs/dbraw/zinc/31/67/77/202316777.db2.gz BGPYBWMZDQKAEE-FPOVZHCZSA-N 1 1 341.495 4.344 50 0 EIAAMO CCc1cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)sc1C ZINC000023981379 212401559 /nfs/dbraw/zinc/40/15/59/212401559.db2.gz WKDOSCVFEXZHEX-INIZCTEOSA-N 1 1 346.496 4.169 50 0 EIAAMO Fc1cccc(-n2cc(C[N@@H+]3CCCC[C@@H]3c3ccccn3)cn2)c1 ZINC000216214054 241174211 /nfs/dbraw/zinc/17/42/11/241174211.db2.gz DXVCBDPUEOZWRP-HXUWFJFHSA-N 1 1 336.414 4.134 50 0 EIAAMO Fc1cccc(-n2cc(C[N@H+]3CCCC[C@@H]3c3ccccn3)cn2)c1 ZINC000216214054 241174217 /nfs/dbraw/zinc/17/42/17/241174217.db2.gz DXVCBDPUEOZWRP-HXUWFJFHSA-N 1 1 336.414 4.134 50 0 EIAAMO Cc1c2cccc(C)c2[nH]c1CN1CCC2(CC1)CCC[N@@H+](C)CC2 ZINC000216368658 241185447 /nfs/dbraw/zinc/18/54/47/241185447.db2.gz QYYQKDNMTBKRKB-UHFFFAOYSA-N 1 1 339.527 4.483 50 0 EIAAMO Cc1c2cccc(C)c2[nH]c1CN1CCC2(CC1)CCC[N@H+](C)CC2 ZINC000216368658 241185449 /nfs/dbraw/zinc/18/54/49/241185449.db2.gz QYYQKDNMTBKRKB-UHFFFAOYSA-N 1 1 339.527 4.483 50 0 EIAAMO Cc1ccccc1NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000230155245 242239675 /nfs/dbraw/zinc/23/96/75/242239675.db2.gz DAPGXQOUCOUGBX-MSOLQXFVSA-N 1 1 329.488 4.113 50 0 EIAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)Nc1cccc(C)c1 ZINC000069460719 203005161 /nfs/dbraw/zinc/00/51/61/203005161.db2.gz MZPWVJJAXPBTKB-AZUAARDMSA-N 1 1 335.451 4.143 50 0 EIAAMO Cc1cc(O)cc(C)c1C[N@H+]1CCO[C@@H](CCCc2ccccc2)C1 ZINC000071752448 203108160 /nfs/dbraw/zinc/10/81/60/203108160.db2.gz GPTTYTSDANMALE-NRFANRHFSA-N 1 1 339.479 4.233 50 0 EIAAMO CC[C@H](Nc1nc(C2CCCC2)nc2c1C[NH2+]C2)c1cc(C)ccn1 ZINC000072145498 203170348 /nfs/dbraw/zinc/17/03/48/203170348.db2.gz WZLLKTDSAMEXSP-INIZCTEOSA-N 1 1 337.471 4.004 50 0 EIAAMO CC(C)Cc1ccc(C[N@H+]2CCCN(Cc3ccncc3)CC2)s1 ZINC000072153552 203175299 /nfs/dbraw/zinc/17/52/99/203175299.db2.gz VDJWYBZRTMQJEO-UHFFFAOYSA-N 1 1 343.540 4.050 50 0 EIAAMO CC[C@H]1CN(Cc2c(Cl)ccc(O)c2Cl)CC[N@@H+]1C(C)C ZINC000072165235 203179270 /nfs/dbraw/zinc/17/92/70/203179270.db2.gz NEVNKQZKEMJKRR-LBPRGKRZSA-N 1 1 331.287 4.004 50 0 EIAAMO CC[C@H]1CN(Cc2c(Cl)ccc(O)c2Cl)CC[N@H+]1C(C)C ZINC000072165235 203179273 /nfs/dbraw/zinc/17/92/73/203179273.db2.gz NEVNKQZKEMJKRR-LBPRGKRZSA-N 1 1 331.287 4.004 50 0 EIAAMO CCNc1nc(Nc2ccc(NC(=O)C3CCCC3)cc2)cc(C)[nH+]1 ZINC000072436838 203225043 /nfs/dbraw/zinc/22/50/43/203225043.db2.gz NDQJWOJVDNWBJF-UHFFFAOYSA-N 1 1 339.443 4.089 50 0 EIAAMO COc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(-c3cc[nH]n3)s2)c1 ZINC000072475754 203232112 /nfs/dbraw/zinc/23/21/12/203232112.db2.gz PMNVVXVETCVCGR-SFHVURJKSA-N 1 1 339.464 4.484 50 0 EIAAMO Cc1cccc(-c2nc3cc(C)ccc3cc2C[N@H+]2CCC[C@@H](O)C2)c1 ZINC000072480984 203233054 /nfs/dbraw/zinc/23/30/54/203233054.db2.gz LGRFNPSVXWLGEP-OAQYLSRUSA-N 1 1 346.474 4.475 50 0 EIAAMO CC[N@@H+](Cc1c[nH]nc1-c1cc2ccccc2o1)Cc1ccncc1 ZINC000072417964 203218485 /nfs/dbraw/zinc/21/84/85/203218485.db2.gz HWSUHOLSRMGHBO-UHFFFAOYSA-N 1 1 332.407 4.240 50 0 EIAAMO COc1cc(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)cc(Cl)c1O ZINC000072428515 203223129 /nfs/dbraw/zinc/22/31/29/203223129.db2.gz HORHKTWQYNFVNZ-AWEZNQCLSA-N 1 1 335.806 4.183 50 0 EIAAMO FC(F)(F)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000019536498 212040067 /nfs/dbraw/zinc/04/00/67/212040067.db2.gz 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Oc1cc(-c2ccc(Cl)cn2)cc2c1OCC[N@H+](C1CCCC1)C2 ZINC000067975047 563963126 /nfs/dbraw/zinc/96/31/26/563963126.db2.gz AZTLGOCVTIBNEK-UHFFFAOYSA-N 1 1 344.842 4.245 50 0 EIAAMO O[C@H]1C[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)Cc2ccccc21 ZINC000082127235 563972576 /nfs/dbraw/zinc/97/25/76/563972576.db2.gz GPPYDZMJBMXQNQ-QHCPKHFHSA-N 1 1 327.427 4.307 50 0 EIAAMO OCc1cccc(C[C@H]2CC[N@@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000091625225 563975599 /nfs/dbraw/zinc/97/55/99/563975599.db2.gz YWGAHQYAZYFHGB-OAHLLOKOSA-N 1 1 333.834 4.036 50 0 EIAAMO CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(c3nccs3)CC2)C1 ZINC000091713227 563975706 /nfs/dbraw/zinc/97/57/06/563975706.db2.gz GVEPMESUUMRNRB-GOSISDBHSA-N 1 1 341.524 4.239 50 0 EIAAMO CC(C)n1ccnc1[C@H]1CCC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000095358403 563976768 /nfs/dbraw/zinc/97/67/68/563976768.db2.gz XMWWZUTZKILZME-INIZCTEOSA-N 1 1 349.425 4.445 50 0 EIAAMO CCCN(Cc1ccsc1)C(=O)[C@H](c1ccccc1C)[NH+](C)C ZINC000095530102 563977552 /nfs/dbraw/zinc/97/75/52/563977552.db2.gz 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CCOc1ccc(C[NH2+]CC(C)(C)N[C@H](C)c2ccccc2)cc1 ZINC000078725066 564000902 /nfs/dbraw/zinc/00/09/02/564000902.db2.gz DNESPELDLGHKMY-QGZVFWFLSA-N 1 1 326.484 4.304 50 0 EIAAMO Cc1noc(C)c1C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000272851756 564007521 /nfs/dbraw/zinc/00/75/21/564007521.db2.gz OTDYHCUBBLTLRO-IBGZPJMESA-N 1 1 341.842 4.413 50 0 EIAAMO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1c(Cl)nc2ccccn21 ZINC000048260471 564030290 /nfs/dbraw/zinc/03/02/90/564030290.db2.gz KOPAGVNVQIFKIZ-CYBMUJFWSA-N 1 1 329.831 4.156 50 0 EIAAMO CC[N@@H+]1CC[C@@H](NCc2ccc(-c3nc4ccccc4[nH]3)cc2)[C@@H](C)C1 ZINC000221896980 564036536 /nfs/dbraw/zinc/03/65/36/564036536.db2.gz JKNMKSPSELCWLY-QFBILLFUSA-N 1 1 348.494 4.050 50 0 EIAAMO CC[N@H+]1CC[C@@H](NCc2ccc(-c3nc4ccccc4[nH]3)cc2)[C@@H](C)C1 ZINC000221896980 564036537 /nfs/dbraw/zinc/03/65/37/564036537.db2.gz JKNMKSPSELCWLY-QFBILLFUSA-N 1 1 348.494 4.050 50 0 EIAAMO CCN1CC[C@@H]([NH2+]Cc2ccc(-c3nc4ccccc4[nH]3)cc2)[C@@H](C)C1 ZINC000221896980 564036538 /nfs/dbraw/zinc/03/65/38/564036538.db2.gz JKNMKSPSELCWLY-QFBILLFUSA-N 1 1 348.494 4.050 50 0 EIAAMO CC[C@H](c1ccccn1)[N@@H+](C)CCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000244724719 564052275 /nfs/dbraw/zinc/05/22/75/564052275.db2.gz MZISUTXIQPSZAE-QGZVFWFLSA-N 1 1 349.837 4.286 50 0 EIAAMO COc1ccc(C[NH2+][C@@H](c2nc3ccccc3[nH]2)C(C)C)c(OC)c1 ZINC000078420528 564061946 /nfs/dbraw/zinc/06/19/46/564061946.db2.gz WRNWOVYZNFICJE-LJQANCHMSA-N 1 1 339.439 4.067 50 0 EIAAMO O[C@@H]1CCC[N@@H+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000084392877 564068014 /nfs/dbraw/zinc/06/80/14/564068014.db2.gz FVOKCGBYNZRHBD-HXUWFJFHSA-N 1 1 345.433 4.334 50 0 EIAAMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)c3ccc(F)cc3)n2)C1 ZINC000012783484 564070187 /nfs/dbraw/zinc/07/01/87/564070187.db2.gz GFAFFJANDKNARX-STQMWFEESA-N 1 1 347.459 4.012 50 0 EIAAMO COc1cc(C[N@H+]2CCC[C@H]2c2ccc(C)cc2)cc(OC)c1OC ZINC000015836760 564076411 /nfs/dbraw/zinc/07/64/11/564076411.db2.gz LVWAISJYXMWFBO-SFHVURJKSA-N 1 1 341.451 4.358 50 0 EIAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(OC)cc(OC)c2)cc1 ZINC000015837015 564076464 /nfs/dbraw/zinc/07/64/64/564076464.db2.gz YLUSHJIZVNEBMG-HXUWFJFHSA-N 1 1 327.424 4.050 50 0 EIAAMO C[N@@H+](Cc1cc(Cl)ccc1OCc1cccnc1)[C@H]1CCSC1 ZINC000089350814 564089772 /nfs/dbraw/zinc/08/97/72/564089772.db2.gz SMPLVCOKMGRLMO-KRWDZBQOSA-N 1 1 348.899 4.251 50 0 EIAAMO CC[C@@H](C)[N@H+](Cc1ccc(C)cc1C)C[C@@H](O)COc1ccccc1 ZINC000169677121 564098048 /nfs/dbraw/zinc/09/80/48/564098048.db2.gz LQUBNQCYDCZJPU-TZIWHRDSSA-N 1 1 341.495 4.344 50 0 EIAAMO CC[C@H](C)[N@H+](Cc1ccc(C)cc1)C[C@@H](O)COc1ccccc1 ZINC000169677135 564098050 /nfs/dbraw/zinc/09/80/50/564098050.db2.gz XHPGQVSCFQFLCZ-AZUAARDMSA-N 1 1 327.468 4.035 50 0 EIAAMO CC[C@@H](C)[N@H+](Cc1cc(C)ccc1C)C[C@@H](O)COc1ccccc1 ZINC000169681584 564098231 /nfs/dbraw/zinc/09/82/31/564098231.db2.gz BGPYBWMZDQKAEE-TZIWHRDSSA-N 1 1 341.495 4.344 50 0 EIAAMO CSc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(F)cc2)cc1 ZINC000007266944 564106107 /nfs/dbraw/zinc/10/61/07/564106107.db2.gz AVXZIECPWRJRCC-CYBMUJFWSA-N 1 1 332.444 4.007 50 0 EIAAMO CSc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(F)cc2)cc1 ZINC000007266944 564106108 /nfs/dbraw/zinc/10/61/08/564106108.db2.gz AVXZIECPWRJRCC-CYBMUJFWSA-N 1 1 332.444 4.007 50 0 EIAAMO Cc1cc(C)cc(-c2ccc(C[N@H+](C)[C@@H](C)C[S@](C)=O)cc2)c1 ZINC000170595420 564109017 /nfs/dbraw/zinc/10/90/17/564109017.db2.gz LAHHCWBAVPALSR-SBUREZEXSA-N 1 1 329.509 4.169 50 0 EIAAMO CC(=O)Nc1cc(N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)ccc1F ZINC000089785057 564113788 /nfs/dbraw/zinc/11/37/88/564113788.db2.gz DDCCHXWVFAHEHD-KSSFIOAISA-N 1 1 341.430 4.032 50 0 EIAAMO Cc1ccc(C(C)(C)C)c(OCCOCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000002822299 564116922 /nfs/dbraw/zinc/11/69/22/564116922.db2.gz VWTNKHSTHINGEN-GOSISDBHSA-N 1 1 333.516 4.420 50 0 EIAAMO CSc1ccccc1NC(=O)C[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000007699879 564122051 /nfs/dbraw/zinc/12/20/51/564122051.db2.gz BFNVTIBRTBSSSN-CYBMUJFWSA-N 1 1 332.444 4.179 50 0 EIAAMO CSc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000007699879 564122052 /nfs/dbraw/zinc/12/20/52/564122052.db2.gz BFNVTIBRTBSSSN-CYBMUJFWSA-N 1 1 332.444 4.179 50 0 EIAAMO CCC[N@@H+](Cc1cc(F)cc2cccnc21)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000078869630 564137274 /nfs/dbraw/zinc/13/72/74/564137274.db2.gz ONZUQFBMUYPLNC-SXLOBPIMSA-N 1 1 342.458 4.399 50 0 EIAAMO C[C@H]([NH2+]Cc1cn2cc(Br)ccc2n1)c1ccsc1 ZINC000095420692 564140007 /nfs/dbraw/zinc/14/00/07/564140007.db2.gz UYSVOWPGRLCWSS-JTQLQIEISA-N 1 1 336.258 4.009 50 0 EIAAMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2cnc(-c3cccnc3)s2)n1 ZINC000093445030 564137609 /nfs/dbraw/zinc/13/76/09/564137609.db2.gz AAUBYZITFPRXRQ-SFHVURJKSA-N 1 1 336.464 4.246 50 0 EIAAMO Cc1cc([C@@H]([NH2+]Cc2nc(-c3ccoc3)no2)C(C)C)c(C)s1 ZINC000095462600 564140814 /nfs/dbraw/zinc/14/08/14/564140814.db2.gz VUBKAJBQDYZFRH-INIZCTEOSA-N 1 1 331.441 4.495 50 0 EIAAMO C[C@@H](OC(=O)CCc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000095468924 564141212 /nfs/dbraw/zinc/14/12/12/564141212.db2.gz BWDJRPHDBVRKQY-NQIIRXRSSA-N 1 1 337.463 4.073 50 0 EIAAMO C[C@@H](C1CC1)[N@H+](Cc1ccccc1)Cc1cc2ccccc2c(=O)[nH]1 ZINC000095945706 564142175 /nfs/dbraw/zinc/14/21/75/564142175.db2.gz NAMOHXUVCAGGKP-INIZCTEOSA-N 1 1 332.447 4.329 50 0 EIAAMO CCOc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccccc1Cl ZINC000057315420 564153541 /nfs/dbraw/zinc/15/35/41/564153541.db2.gz MZAFPJZHZDEPCZ-CYBMUJFWSA-N 1 1 332.831 4.028 50 0 EIAAMO C[N@@H+](Cc1cccc(F)c1)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000057406503 564153949 /nfs/dbraw/zinc/15/39/49/564153949.db2.gz MBCKVJPTLOTTIK-UHFFFAOYSA-N 1 1 337.394 4.053 50 0 EIAAMO CCc1cc2c(C[N@@H+](C)Cc3sccc3C)cc(=O)oc2cc1O ZINC000057802863 564155895 /nfs/dbraw/zinc/15/58/95/564155895.db2.gz FFOOHUNCYRHYAO-UHFFFAOYSA-N 1 1 343.448 4.063 50 0 EIAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc2ccccc2c1 ZINC000003330251 564157367 /nfs/dbraw/zinc/15/73/67/564157367.db2.gz NGZFHRAZFLSEQS-HXUWFJFHSA-N 1 1 348.446 4.390 50 0 EIAAMO CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000003585449 564159056 /nfs/dbraw/zinc/15/90/56/564159056.db2.gz MPPVJGKNAQALPG-UHFFFAOYSA-N 1 1 334.872 4.132 50 0 EIAAMO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000003585449 564159057 /nfs/dbraw/zinc/15/90/57/564159057.db2.gz MPPVJGKNAQALPG-UHFFFAOYSA-N 1 1 334.872 4.132 50 0 EIAAMO CC(=O)Nc1ccc2nc(C[N@H+]3CC4C[C@@H]5CC3C[C@H](C4)C5)ccc2c1 ZINC000670452953 564159602 /nfs/dbraw/zinc/15/96/02/564159602.db2.gz OGPBKXLILLSDPJ-FAQHILDVSA-N 1 1 349.478 4.204 50 0 EIAAMO C[C@@H]1CCC[N@@H+](C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)C1 ZINC000004024568 564160081 /nfs/dbraw/zinc/16/00/81/564160081.db2.gz RBCKIFIDZCUQEN-BVOBVLFCSA-N 1 1 331.500 4.033 50 0 biogenic EIAAMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)C12CC3CC(CC(C3)C1)C2 ZINC000004028038 564160129 /nfs/dbraw/zinc/16/01/29/564160129.db2.gz QJFVOGPINUBXND-GELQRLDPSA-N 1 1 331.500 4.011 50 0 biogenic EIAAMO Cc1ccc2c(c1)c1c(n2C[C@@H](O)C[N@@H+]2CCCC[C@@H]2C)CCCC1 ZINC000004169094 564160997 /nfs/dbraw/zinc/16/09/97/564160997.db2.gz NMVJJEDURJILIY-ROUUACIJSA-N 1 1 340.511 4.064 50 0 EIAAMO CC[N@@H+](Cc1ccccc1)Cc1c(C)[nH]c2ccc(N(C)C)cc2c1=O ZINC000008572574 564165782 /nfs/dbraw/zinc/16/57/82/564165782.db2.gz QAKLMFLUPOYDIG-UHFFFAOYSA-N 1 1 349.478 4.337 50 0 EIAAMO CC1CCC([N@@H+](C)Cc2nc3c4ccccc4oc3c(=O)[nH]2)CC1 ZINC000067443740 564165900 /nfs/dbraw/zinc/16/59/00/564165900.db2.gz MTVQKRVBKNYBBI-UHFFFAOYSA-N 1 1 325.412 4.092 50 0 EIAAMO CCCC[N@@H+](C)Cc1c(C)[nH]c2ccc(N(CC)CC)cc2c1=O ZINC000008717359 564166746 /nfs/dbraw/zinc/16/67/46/564166746.db2.gz IUKSDPQWRPZBGV-UHFFFAOYSA-N 1 1 329.488 4.327 50 0 EIAAMO CCN(CC)c1ccc2[nH]c(C)c(C[N@H+]3CCC[C@H](C)C3)c(=O)c2c1 ZINC000008717370 564166832 /nfs/dbraw/zinc/16/68/32/564166832.db2.gz OXBIWWONYGMPNW-HNNXBMFYSA-N 1 1 341.499 4.327 50 0 EIAAMO Cc1ccc(-c2ccsc2C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000040108188 564168103 /nfs/dbraw/zinc/16/81/03/564168103.db2.gz HAXVMUZEKPPLPJ-QZTJIDSGSA-N 1 1 340.492 4.080 50 0 EIAAMO CC[N@@H+](Cc1ccc(C(=O)N(C)[C@@H](C)c2cccnc2)cc1)C(C)C ZINC000069417520 564169305 /nfs/dbraw/zinc/16/93/05/564169305.db2.gz MLVQOYOITXWHIX-KRWDZBQOSA-N 1 1 339.483 4.145 50 0 EIAAMO Fc1cccc(F)c1CN1CC[N@H+]2CCC[C@H]2[C@@H]1C1CCCCC1 ZINC000247560342 1023072300 /nfs/dbraw/zinc/07/23/00/1023072300.db2.gz YQXOABLFXYUKNB-PMACEKPBSA-N 1 1 334.454 4.194 50 0 EIAAMO O=C(c1cccc(C(F)F)c1)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000171545417 1037471020 /nfs/dbraw/zinc/47/10/20/1037471020.db2.gz ZTYSGBUQIGAQEZ-QGZVFWFLSA-N 1 1 342.389 4.249 50 0 EIAAMO COc1ccc2c(c1)O[C@H](C)C[N@@H+](Cc1ccc(SC)cc1)C2 ZINC000011910185 1044222929 /nfs/dbraw/zinc/22/29/29/1044222929.db2.gz QCRCNJJXQPNRJO-CQSZACIVSA-N 1 1 329.465 4.200 50 0 EIAAMO COc1ccc2c(c1)O[C@H](C)C[N@H+](Cc1ccc(SC)cc1)C2 ZINC000011910185 1044222948 /nfs/dbraw/zinc/22/29/48/1044222948.db2.gz QCRCNJJXQPNRJO-CQSZACIVSA-N 1 1 329.465 4.200 50 0 EIAAMO C[C@H](Cc1ccccn1)[N@H+](C)Cc1cc(CN2CCCCC2)cs1 ZINC000823648965 1044295425 /nfs/dbraw/zinc/29/54/25/1044295425.db2.gz CWALIMLAVBHANF-QGZVFWFLSA-N 1 1 343.540 4.192 50 0 EIAAMO C[C@H](Cc1ccccn1)[N@@H+](C)Cc1cc(CN2CCCCC2)cs1 ZINC000823648965 1044295440 /nfs/dbraw/zinc/29/54/40/1044295440.db2.gz CWALIMLAVBHANF-QGZVFWFLSA-N 1 1 343.540 4.192 50 0 EIAAMO c1coc(CN2CC[C@@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)c1 ZINC000014957512 1044787582 /nfs/dbraw/zinc/78/75/82/1044787582.db2.gz LCFVBXMLMVRVID-QFIPXVFZSA-N 1 1 338.495 4.200 50 0 EIAAMO Cc1cnc(-c2ccccc2)n1C[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000575547526 1045256569 /nfs/dbraw/zinc/25/65/69/1045256569.db2.gz HJZVLWVXGQSUES-IBGZPJMESA-N 1 1 346.478 4.166 50 0 EIAAMO Cc1ccc(C[N@H+]2CC[C@@H](n3c(C)cnc3-c3cccnc3)C2)s1 ZINC000575550303 1045258473 /nfs/dbraw/zinc/25/84/73/1045258473.db2.gz UJQVGIHWUQZJRG-QGZVFWFLSA-N 1 1 338.480 4.070 50 0 EIAAMO Clc1ccc2[nH+]ccc(N3CC[C@@H](OCc4ccncc4)C3)c2c1 ZINC000192907203 1049510397 /nfs/dbraw/zinc/51/03/97/1049510397.db2.gz AXKCDIOOULXQDC-MRXNPFEDSA-N 1 1 339.826 4.079 50 0 EIAAMO Cc1ccc([C@@H]([NH2+]Cc2cnn(C(C)C)c2)c2cccnc2)cc1C ZINC000952872015 1049678780 /nfs/dbraw/zinc/67/87/80/1049678780.db2.gz HSTFICJXDPFBAJ-OAQYLSRUSA-N 1 1 334.467 4.355 50 0 EIAAMO C[C@@H](c1cccnc1)[N@@H+](C)CCc1cc(Cl)c2c(c1)OCCCO2 ZINC000179626131 1049691305 /nfs/dbraw/zinc/69/13/05/1049691305.db2.gz LFQYHQIMQAJREG-AWEZNQCLSA-N 1 1 346.858 4.132 50 0 EIAAMO Fc1cc(C[N@@H+](Cc2ccco2)C2CCCC2)c2c(c1)COCO2 ZINC000052076963 214116758 /nfs/dbraw/zinc/11/67/58/214116758.db2.gz HZAAVVYFBPATCC-UHFFFAOYSA-N 1 1 331.387 4.230 50 0 EIAAMO Clc1cccc2ccc(C[N@H+]3CCC[C@H](c4ccncn4)C3)nc12 ZINC000097694970 219048377 /nfs/dbraw/zinc/04/83/77/219048377.db2.gz JRBDSNAVCJZIBC-HNNXBMFYSA-N 1 1 338.842 4.058 50 0 EIAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccccc1)N[C@@H]1CCCc2ccccc21 ZINC000010339722 201797290 /nfs/dbraw/zinc/79/72/90/201797290.db2.gz TXWWDYBOLGTKRI-NHCUHLMSSA-N 1 1 334.463 4.017 50 0 EIAAMO Cc1ccccc1C[NH+]1CCN(Cc2cccc3ccccc32)CC1 ZINC000019360238 202006187 /nfs/dbraw/zinc/00/61/87/202006187.db2.gz YZDHAGZQOWYJRG-UHFFFAOYSA-N 1 1 330.475 4.466 50 0 EIAAMO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[N@H+]1CCC[C@H]1CO ZINC000019954105 202027354 /nfs/dbraw/zinc/02/73/54/202027354.db2.gz CBVBUSOUBNXZDH-FQEVSTJZSA-N 1 1 348.446 4.274 50 0 EIAAMO CCc1onc(C)c1[C@@H]1CCC[N@H+]1Cc1c[nH]nc1-c1ccccc1 ZINC000021720799 202069142 /nfs/dbraw/zinc/06/91/42/202069142.db2.gz YDBWRMBGTGSBFL-KRWDZBQOSA-N 1 1 336.439 4.273 50 0 EIAAMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCCC1)c1ccccc1 ZINC000027663900 202158849 /nfs/dbraw/zinc/15/88/49/202158849.db2.gz QMLBBSUHCDRFOL-IBGZPJMESA-N 1 1 342.870 4.297 50 0 EIAAMO Cc1ccc2c(C[N@@H+]3CCc4sccc4C3)cc(=O)oc2c1C ZINC000032879820 202239572 /nfs/dbraw/zinc/23/95/72/202239572.db2.gz ABFBEEFLWDEILI-UHFFFAOYSA-N 1 1 325.433 4.030 50 0 EIAAMO Cc1ccc2c(C[N@H+]3CCc4sccc4C3)cc(=O)oc2c1C ZINC000032879820 202239575 /nfs/dbraw/zinc/23/95/75/202239575.db2.gz ABFBEEFLWDEILI-UHFFFAOYSA-N 1 1 325.433 4.030 50 0 EIAAMO Cc1cccc(NC(=O)N2CCC(C[N@@H+]3CCC[C@@H](C)C3)CC2)c1C ZINC000033312148 202256853 /nfs/dbraw/zinc/25/68/53/202256853.db2.gz MCJLAAIVQQFOGN-MRXNPFEDSA-N 1 1 343.515 4.279 50 0 EIAAMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)CCc2ccc3ccccc3c2)C1 ZINC000069952238 202298400 /nfs/dbraw/zinc/29/84/00/202298400.db2.gz WZTAJVKQLRIFEB-OAQYLSRUSA-N 1 1 347.462 4.141 50 0 EIAAMO CC[C@H](C)[N@H+](Cc1cc(C)ccc1C)C[C@H](O)COCc1ccco1 ZINC000036103895 202315662 /nfs/dbraw/zinc/31/56/62/202315662.db2.gz SNVSHTKNKJZTEN-ICSRJNTNSA-N 1 1 345.483 4.075 50 0 EIAAMO CC[NH+](CC)Cc1nc(=O)c2c(-c3cc(C)ccc3C)csc2[nH]1 ZINC000036204122 202319302 /nfs/dbraw/zinc/31/93/02/202319302.db2.gz GRTVJMVYZPCWNW-UHFFFAOYSA-N 1 1 341.480 4.110 50 0 EIAAMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1coc(-c2ccccc2)n1 ZINC000071876663 202353057 /nfs/dbraw/zinc/35/30/57/202353057.db2.gz GVDZUHIVBCVDMU-SFHVURJKSA-N 1 1 336.439 4.029 50 0 EIAAMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1coc(-c2ccccc2)n1 ZINC000071876663 202353060 /nfs/dbraw/zinc/35/30/60/202353060.db2.gz GVDZUHIVBCVDMU-SFHVURJKSA-N 1 1 336.439 4.029 50 0 EIAAMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000075132227 202375033 /nfs/dbraw/zinc/37/50/33/202375033.db2.gz OJYQASKZFDIQKE-QGZVFWFLSA-N 1 1 336.439 4.029 50 0 EIAAMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000075132227 202375037 /nfs/dbraw/zinc/37/50/37/202375037.db2.gz OJYQASKZFDIQKE-QGZVFWFLSA-N 1 1 336.439 4.029 50 0 EIAAMO Cc1n[nH]c(C)c1[C@@H](C)[N@H+](C)Cc1cnc(C2CCCCC2)nc1 ZINC000215913761 241154777 /nfs/dbraw/zinc/15/47/77/241154777.db2.gz BOFWUBLIJVBPHK-OAHLLOKOSA-N 1 1 327.476 4.057 50 0 EIAAMO Cc1n[nH]c(C)c1[C@@H](C)[N@@H+](C)Cc1cnc(C2CCCCC2)nc1 ZINC000215913761 241154782 /nfs/dbraw/zinc/15/47/82/241154782.db2.gz BOFWUBLIJVBPHK-OAHLLOKOSA-N 1 1 327.476 4.057 50 0 EIAAMO c1cnn(Cc2ccccc2C[N@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC000215405980 241122626 /nfs/dbraw/zinc/12/26/26/241122626.db2.gz RNDQYSUMVKFVLM-NRFANRHFSA-N 1 1 332.451 4.054 50 0 EIAAMO Clc1ccc2[nH]c([C@H]3CCC[N@H+]3CCCc3cccnc3)nc2c1 ZINC000244712668 243062816 /nfs/dbraw/zinc/06/28/16/243062816.db2.gz KUAWBDIMAVFXOI-GOSISDBHSA-N 1 1 340.858 4.381 50 0 EIAAMO Clc1ccc2nc([C@H]3CCC[N@@H+]3CCCc3cccnc3)[nH]c2c1 ZINC000244712668 243062820 /nfs/dbraw/zinc/06/28/20/243062820.db2.gz KUAWBDIMAVFXOI-GOSISDBHSA-N 1 1 340.858 4.381 50 0 EIAAMO Clc1ccc2nc([C@H]3CCC[N@H+]3CCCc3cccnc3)[nH]c2c1 ZINC000244712668 243062824 /nfs/dbraw/zinc/06/28/24/243062824.db2.gz KUAWBDIMAVFXOI-GOSISDBHSA-N 1 1 340.858 4.381 50 0 EIAAMO CCc1cccc(CC)c1NC(=O)C[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000069589115 203023936 /nfs/dbraw/zinc/02/39/36/203023936.db2.gz GSZLRYFGPPARPH-HNNXBMFYSA-N 1 1 340.467 4.149 50 0 EIAAMO CCc1cccc(CC)c1NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000069589115 203023940 /nfs/dbraw/zinc/02/39/40/203023940.db2.gz GSZLRYFGPPARPH-HNNXBMFYSA-N 1 1 340.467 4.149 50 0 EIAAMO COc1ccc(O)cc1C[N@H+]1CCC[C@H](CCc2ccccc2F)C1 ZINC000071760086 203109470 /nfs/dbraw/zinc/10/94/70/203109470.db2.gz FQWAYGGKTJDJMO-MRXNPFEDSA-N 1 1 343.442 4.385 50 0 EIAAMO C[C@H]([NH2+]Cc1csc(C(C)(C)C)n1)c1ccc2c(c1)CCC(=O)N2 ZINC000071825225 203121217 /nfs/dbraw/zinc/12/12/17/203121217.db2.gz UTKOINWIWKDJPF-LBPRGKRZSA-N 1 1 343.496 4.176 50 0 EIAAMO c1coc([C@H]2CCCCC[N@@H+]2Cc2cnc(N3CCCC3)s2)c1 ZINC000072120672 203163422 /nfs/dbraw/zinc/16/34/22/203163422.db2.gz GPJWWCORUOUNIA-MRXNPFEDSA-N 1 1 331.485 4.454 50 0 EIAAMO OCCCC[N@H+]1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000072121673 203163443 /nfs/dbraw/zinc/16/34/43/203163443.db2.gz ASOZNSONVFRYFY-HNNXBMFYSA-N 1 1 329.406 4.123 50 0 EIAAMO O=C(Cc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000072406768 203215543 /nfs/dbraw/zinc/21/55/43/203215543.db2.gz DCVXSGAFZWIEPK-HXUWFJFHSA-N 1 1 344.458 4.259 50 0 EIAAMO CC[N@@H+](Cc1cn(C)nc1-c1cccc(Cl)c1)Cc1ccncc1 ZINC000072408325 203216259 /nfs/dbraw/zinc/21/62/59/203216259.db2.gz YEGPGYFKJJWKJV-UHFFFAOYSA-N 1 1 340.858 4.158 50 0 EIAAMO Cc1nccn1CC[C@H]1CCCC[N@H+]1Cc1ccc(OC(F)F)cc1 ZINC000077344254 203381434 /nfs/dbraw/zinc/38/14/34/203381434.db2.gz TYBYSBRWGBAHEB-QGZVFWFLSA-N 1 1 349.425 4.238 50 0 EIAAMO 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COc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)cc(OC)c1O ZINC000015836680 568420165 /nfs/dbraw/zinc/42/01/65/568420165.db2.gz AHTSWLWTFJWSHC-MRXNPFEDSA-N 1 1 347.842 4.400 50 0 EIAAMO COc1cc(C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)cc(OC)c1O ZINC000015836680 568420169 /nfs/dbraw/zinc/42/01/69/568420169.db2.gz AHTSWLWTFJWSHC-MRXNPFEDSA-N 1 1 347.842 4.400 50 0 EIAAMO O=C(c1cccc(-c2ccoc2)c1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000179069138 1027506759 /nfs/dbraw/zinc/50/67/59/1027506759.db2.gz YOPROKYAJQLGFC-UHFFFAOYSA-N 1 1 338.451 4.037 50 0 EIAAMO COc1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](CC2CCC2)C3)cc1C ZINC000011933563 1043756645 /nfs/dbraw/zinc/75/66/45/1043756645.db2.gz CPXNSCVAUSERJS-QFIPXVFZSA-N 1 1 342.527 4.092 50 0 EIAAMO CCn1c(C)cc2cc(NC(=O)[C@@H](C)n3cc[nH+]c3C(C)C)ccc21 ZINC000823582596 1044290913 /nfs/dbraw/zinc/29/09/13/1044290913.db2.gz NDNLENJOUSUBPR-OAHLLOKOSA-N 1 1 338.455 4.489 50 0 EIAAMO COc1cccc([C@H]2CC[N@H+]2Cc2cc(C)ccc2-n2cccn2)c1 ZINC000824774922 1044527100 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4.392 50 0 EIAAMO C[C@@H]1c2cc(F)ccc2CC[N@@H+]1Cc1cccc(Cn2cccn2)c1 ZINC000826602449 1044787679 /nfs/dbraw/zinc/78/76/79/1044787679.db2.gz YSOSYIJOAKHQHG-MRXNPFEDSA-N 1 1 335.426 4.190 50 0 EIAAMO CCOC1CC2(C1)CC[N@@H+](Cc1cc(C)c(OC(F)F)c(C)c1)C2 ZINC000585084442 1049415867 /nfs/dbraw/zinc/41/58/67/1049415867.db2.gz AAGVMEGNYNBQDW-UHFFFAOYSA-N 1 1 339.426 4.296 50 0 EIAAMO Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000631722658 1049553567 /nfs/dbraw/zinc/55/35/67/1049553567.db2.gz JWPUALFJHBXUJT-SNVBAGLBSA-N 1 1 329.753 4.308 50 0 EIAAMO COc1ccc(F)c(C[NH2+][C@@H](C)c2ccccc2-n2cccn2)c1F ZINC000952978373 1049686217 /nfs/dbraw/zinc/68/62/17/1049686217.db2.gz XNBUVLZZPWZLBH-ZDUSSCGKSA-N 1 1 343.377 4.010 50 0 EIAAMO Cc1ccccc1C[N@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000007845428 1049765745 /nfs/dbraw/zinc/76/57/45/1049765745.db2.gz PRECJRREUMNJSW-UHFFFAOYSA-N 1 1 337.250 4.372 50 0 EIAAMO Cc1ccccc1C[N@@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000007845428 1049765754 /nfs/dbraw/zinc/76/57/54/1049765754.db2.gz PRECJRREUMNJSW-UHFFFAOYSA-N 1 1 337.250 4.372 50 0 EIAAMO OCCC[N@@H+](Cc1coc(-c2ccccc2)n1)[C@H]1CCc2ccccc21 ZINC000072632375 1052524819 /nfs/dbraw/zinc/52/48/19/1052524819.db2.gz ZIOYOTNZIRZSEA-NRFANRHFSA-N 1 1 348.446 4.214 50 0 EIAAMO OCCC[N@@H+](Cc1coc(-c2ccccc2)n1)[C@@H]1CCc2ccccc21 ZINC000072632374 1052525321 /nfs/dbraw/zinc/52/53/21/1052525321.db2.gz ZIOYOTNZIRZSEA-OAQYLSRUSA-N 1 1 348.446 4.214 50 0 EIAAMO Cc1ccsc1C[N@@H+]1CC[C@H](n2c(C)cnc2-c2ccncc2)C1 ZINC000581808181 1060018406 /nfs/dbraw/zinc/01/84/06/1060018406.db2.gz WMTJDFAMPAIWME-KRWDZBQOSA-N 1 1 338.480 4.070 50 0 EIAAMO CN(Cc1cc2cc(F)ccc2[nH]1)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000055107471 214273090 /nfs/dbraw/zinc/27/30/90/214273090.db2.gz SLBQLKSKWYPRKM-MGPUTAFESA-N 1 1 329.463 4.003 50 0 EIAAMO CN(Cc1cc2cc(F)ccc2[nH]1)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000055107471 214273093 /nfs/dbraw/zinc/27/30/93/214273093.db2.gz SLBQLKSKWYPRKM-MGPUTAFESA-N 1 1 329.463 4.003 50 0 EIAAMO CCCN(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000055118888 214275944 /nfs/dbraw/zinc/27/59/44/214275944.db2.gz SJQIYXVFAOVVPL-FQEVSTJZSA-N 1 1 329.532 4.338 50 0 EIAAMO C(=C/[NH+]1CCCCCC1)\c1nnnn1-c1ccc(-c2ccccc2)cc1 ZINC000055153050 214280296 /nfs/dbraw/zinc/28/02/96/214280296.db2.gz YZULJWWBOANRNC-SAPNQHFASA-N 1 1 345.450 4.176 50 0 EIAAMO COc1ccccc1C[N@@H+](Cc1ccc2c(C)cc(=O)oc2c1)C1CC1 ZINC000055401402 214318846 /nfs/dbraw/zinc/31/88/46/214318846.db2.gz CZCMKPMFKVNZJR-UHFFFAOYSA-N 1 1 349.430 4.275 50 0 EIAAMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1(c2ccccc2)CCCC1 ZINC000004029302 210102751 /nfs/dbraw/zinc/10/27/51/210102751.db2.gz TVSLBGTUONIWBK-AZUAARDMSA-N 1 1 341.495 4.306 50 0 biogenic EIAAMO CCCCN(C(=O)c1ccc(Cl)cc1)C1=C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000004019041 210101111 /nfs/dbraw/zinc/10/11/11/210101111.db2.gz FETLJBXPGXXLIH-SJORKVTESA-N 1 1 332.875 4.333 50 0 EIAAMO CCCC[C@@H]1C=CC[N@H+]1Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067490999 215154419 /nfs/dbraw/zinc/15/44/19/215154419.db2.gz UFOVFKKRDFFBML-LJQANCHMSA-N 1 1 332.451 4.327 50 0 EIAAMO Cc1ccc2[nH]cc(C[N@H+]3CCC[C@H](OCc4cccnc4)C3)c2c1 ZINC000067872373 215237088 /nfs/dbraw/zinc/23/70/88/215237088.db2.gz GHFOZWRUZCLWFQ-IBGZPJMESA-N 1 1 335.451 4.053 50 0 EIAAMO Cc1ccc2c(c1)c1c(n2C[C@@H](O)C[N@@H+]2CCCC[C@H]2C)CCCC1 ZINC000103962548 219332679 /nfs/dbraw/zinc/33/26/79/219332679.db2.gz NMVJJEDURJILIY-MSOLQXFVSA-N 1 1 340.511 4.064 50 0 EIAAMO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1nc(Cc2ccccc2)no1 ZINC000040153678 213274666 /nfs/dbraw/zinc/27/46/66/213274666.db2.gz OKIBOXSHOGYCQG-IBGZPJMESA-N 1 1 333.435 4.306 50 0 EIAAMO Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1nc(Cc2ccccc2)no1 ZINC000040153678 213274669 /nfs/dbraw/zinc/27/46/69/213274669.db2.gz OKIBOXSHOGYCQG-IBGZPJMESA-N 1 1 333.435 4.306 50 0 EIAAMO COc1ccc(-c2nc(C[N@H+](C)[C@@H]3CCc4ccccc43)co2)cc1 ZINC000040050671 213255525 /nfs/dbraw/zinc/25/55/25/213255525.db2.gz YRMORPFGWBHIEC-HXUWFJFHSA-N 1 1 334.419 4.470 50 0 EIAAMO COc1ccc(-c2nc(C[N@@H+](C)[C@@H]3CCc4ccccc43)co2)cc1 ZINC000040050671 213255528 /nfs/dbraw/zinc/25/55/28/213255528.db2.gz YRMORPFGWBHIEC-HXUWFJFHSA-N 1 1 334.419 4.470 50 0 EIAAMO c1[nH]c2ccccc2c1C[NH2+]CC1(N2CCCCC2)CCCCC1 ZINC000039756483 213242727 /nfs/dbraw/zinc/24/27/27/213242727.db2.gz UBVSRRXMJXOJEN-UHFFFAOYSA-N 1 1 325.500 4.446 50 0 EIAAMO CCc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccccn2)cc1 ZINC000037522953 213153730 /nfs/dbraw/zinc/15/37/30/213153730.db2.gz JZNUSCJTIBPKSR-JOCHJYFZSA-N 1 1 331.463 4.441 50 0 EIAAMO COc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccccc2)cc1 ZINC000036347912 213086001 /nfs/dbraw/zinc/08/60/01/213086001.db2.gz MOCTZIFGGDZGNT-JOCHJYFZSA-N 1 1 332.447 4.492 50 0 EIAAMO Cc1ccccc1C[N@@H+](CCC(C)C)C[C@@H](O)Cc1ccccc1 ZINC000036100050 213067170 /nfs/dbraw/zinc/06/71/70/213067170.db2.gz RPVVSUKCTRLWDZ-QFIPXVFZSA-N 1 1 325.496 4.447 50 0 EIAAMO CC[C@@H](C)[N@H+](Cc1ccc(C)cc1C)C[C@H](O)COCc1ccco1 ZINC000036098927 213066157 /nfs/dbraw/zinc/06/61/57/213066157.db2.gz JGZFLIXJRLJRJI-QUCCMNQESA-N 1 1 345.483 4.075 50 0 EIAAMO CC(=O)c1ccc(C[NH+]2CCC(c3nc4cccc(C)c4[nH]3)CC2)cc1 ZINC000072128368 216019708 /nfs/dbraw/zinc/01/97/08/216019708.db2.gz BKNOTHZDPPXLNE-UHFFFAOYSA-N 1 1 347.462 4.454 50 0 EIAAMO CSc1ccccc1C[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000072174132 216064509 /nfs/dbraw/zinc/06/45/09/216064509.db2.gz BTOAQEPIHKCQLD-UHFFFAOYSA-N 1 1 344.499 4.256 50 0 EIAAMO CSc1ccccc1CN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000072174132 216064513 /nfs/dbraw/zinc/06/45/13/216064513.db2.gz BTOAQEPIHKCQLD-UHFFFAOYSA-N 1 1 344.499 4.256 50 0 EIAAMO CSc1ccccc1CN1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000072174132 216064515 /nfs/dbraw/zinc/06/45/15/216064515.db2.gz BTOAQEPIHKCQLD-UHFFFAOYSA-N 1 1 344.499 4.256 50 0 EIAAMO Cc1ccc(NCCCNC(=O)Nc2cccc3ccccc32)[nH+]c1 ZINC000072264335 216085785 /nfs/dbraw/zinc/08/57/85/216085785.db2.gz RHKRJQQINJYDKU-UHFFFAOYSA-N 1 1 334.423 4.167 50 0 EIAAMO Fc1cccc(CN2CCC[N@@H+](Cc3ccc4occc4c3)CC2)c1 ZINC000072435506 216231221 /nfs/dbraw/zinc/23/12/21/216231221.db2.gz OTXIOJBOYHHPIK-UHFFFAOYSA-N 1 1 338.426 4.280 50 0 EIAAMO Fc1cccc(C[N@@H+]2CCCN(Cc3ccc4occc4c3)CC2)c1 ZINC000072435506 216231224 /nfs/dbraw/zinc/23/12/24/216231224.db2.gz OTXIOJBOYHHPIK-UHFFFAOYSA-N 1 1 338.426 4.280 50 0 EIAAMO Fc1cccc(C[N@H+]2CCCN(Cc3ccc4occc4c3)CC2)c1 ZINC000072435506 216231227 /nfs/dbraw/zinc/23/12/27/216231227.db2.gz OTXIOJBOYHHPIK-UHFFFAOYSA-N 1 1 338.426 4.280 50 0 EIAAMO C[N@@H+](Cc1ccnn1-c1ccccc1)Cc1cccc2cnccc21 ZINC000072458456 216244196 /nfs/dbraw/zinc/24/41/96/216244196.db2.gz HJZFUMKMJZNPSM-UHFFFAOYSA-N 1 1 328.419 4.053 50 0 EIAAMO Cc1cc2c(cc1F)Sc1ccccc1C[C@@H]2[NH+]1CCN(C)CC1 ZINC000022865721 212330177 /nfs/dbraw/zinc/33/01/77/212330177.db2.gz WDCMRUBHRJXTRJ-SFHVURJKSA-N 1 1 342.483 4.130 50 0 EIAAMO c1nc(CN2CCC[C@]3(CCC[N@@H+](Cc4ccccc4)C3)C2)cs1 ZINC000215976721 241157179 /nfs/dbraw/zinc/15/71/79/241157179.db2.gz OTKWZAVLSGAOPW-FQEVSTJZSA-N 1 1 341.524 4.021 50 0 EIAAMO Clc1cccc([C@@H]2CC[N@@H+](Cc3cnc(N4CCCC4)s3)C2)c1 ZINC000216459824 241195815 /nfs/dbraw/zinc/19/58/15/241195815.db2.gz VMQCEJRXCPVXPR-OAHLLOKOSA-N 1 1 347.915 4.386 50 0 EIAAMO Cc1cc(C)n2ncc(C[N@H+]3CCC[C@H](c4ccccc4C)C3)c2n1 ZINC000216499529 241197785 /nfs/dbraw/zinc/19/77/85/241197785.db2.gz SJMXBLOJSICKPF-SFHVURJKSA-N 1 1 334.467 4.034 50 0 EIAAMO Fc1ccccc1N1CC[NH+](Cc2ccc([C@@H]3CCCO3)s2)CC1 ZINC000215412515 241124601 /nfs/dbraw/zinc/12/46/01/241124601.db2.gz QOEOVFIEGBCHIX-SFHVURJKSA-N 1 1 346.471 4.061 50 0 EIAAMO Cc1cc([C@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2ccc(C)c(C)c2)no1 ZINC000021720017 212245103 /nfs/dbraw/zinc/24/51/03/212245103.db2.gz HBMURTJDJVLJEU-LJQANCHMSA-N 1 1 336.439 4.327 50 0 EIAAMO Cc1cc([C@H]2CCC[N@H+]2Cc2c[nH]nc2-c2ccc(C)c(C)c2)no1 ZINC000021720017 212245106 /nfs/dbraw/zinc/24/51/06/212245106.db2.gz HBMURTJDJVLJEU-LJQANCHMSA-N 1 1 336.439 4.327 50 0 EIAAMO Cc1ccc(-c2ccsc2C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000229713933 242190707 /nfs/dbraw/zinc/19/07/07/242190707.db2.gz HAXVMUZEKPPLPJ-MSOLQXFVSA-N 1 1 340.492 4.080 50 0 EIAAMO CC[N@@H+]1CCc2nc(NC(=O)C3CCC(C(C)(C)C)CC3)sc2C1 ZINC000021295293 212218956 /nfs/dbraw/zinc/21/89/56/212218956.db2.gz FUQMSYYRMYPCJI-UHFFFAOYSA-N 1 1 349.544 4.312 50 0 EIAAMO CC[N@H+]1CCc2nc(NC(=O)C3CCC(C(C)(C)C)CC3)sc2C1 ZINC000021295293 212218960 /nfs/dbraw/zinc/21/89/60/212218960.db2.gz FUQMSYYRMYPCJI-UHFFFAOYSA-N 1 1 349.544 4.312 50 0 EIAAMO c1c(C[N@@H+]2CCCC[C@@H]2CCc2ccccn2)onc1-c1ccncc1 ZINC000244882690 243097005 /nfs/dbraw/zinc/09/70/05/243097005.db2.gz XWPWPRAKJOMCKV-LJQANCHMSA-N 1 1 348.450 4.119 50 0 EIAAMO C[NH+]1CCN([C@H](c2cccc(Cl)c2)c2ccccc2Cl)CC1 ZINC000019801756 212070347 /nfs/dbraw/zinc/07/03/47/212070347.db2.gz UYUKSGQLYHPHCQ-GOSISDBHSA-N 1 1 335.278 4.330 50 0 EIAAMO CCc1[nH+]ccn1CCn1ccc(-c2cccc(-c3nccs3)c2)n1 ZINC000019794714 212068920 /nfs/dbraw/zinc/06/89/20/212068920.db2.gz BGYVKKHPAQMHIV-UHFFFAOYSA-N 1 1 349.463 4.133 50 0 EIAAMO CSc1ccc(C[NH+]2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000019781722 212065195 /nfs/dbraw/zinc/06/51/95/212065195.db2.gz SUIMUMSHEQVQDC-UHFFFAOYSA-N 1 1 346.927 4.380 50 0 EIAAMO C[C@@H]([NH2+][C@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccc2ccccc2c1 ZINC000049580995 214020285 /nfs/dbraw/zinc/02/02/85/214020285.db2.gz DVPNGKGMDSPZLN-HUUCEWRRSA-N 1 1 343.430 4.488 50 0 EIAAMO Fc1ccc(-c2noc(C[N@@H+](CC3CC3)C3CCCCC3)n2)cc1 ZINC000078459102 217055641 /nfs/dbraw/zinc/05/56/41/217055641.db2.gz RTCZKVZSNTVVBH-UHFFFAOYSA-N 1 1 329.419 4.420 50 0 EIAAMO C[C@@H](c1ccccc1Cl)[N@@H+](Cc1ccc2c(c1)nnn2C)C1CC1 ZINC000079105558 217194833 /nfs/dbraw/zinc/19/48/33/217194833.db2.gz GDNPILCRPMPEIE-ZDUSSCGKSA-N 1 1 340.858 4.347 50 0 EIAAMO CCOC(=O)C[C@H]1CCCC[N@H+]1Cc1nc(-c2ccsc2)oc1C ZINC000012480292 211391518 /nfs/dbraw/zinc/39/15/18/211391518.db2.gz PQOCOPRSWVNJBE-OAHLLOKOSA-N 1 1 348.468 4.019 50 0 EIAAMO CC(C)(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)Nc3cccs3)CC2)C1 ZINC000012468030 211390345 /nfs/dbraw/zinc/39/03/45/211390345.db2.gz 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ZINC000011699304 211237971 /nfs/dbraw/zinc/23/79/71/211237971.db2.gz PODUDJYNNQJWOA-QFIPXVFZSA-N 1 1 341.495 4.439 50 0 EIAAMO CC(C)[C@@H](NC(=O)C[N@@H+](C)[C@@H](C)c1ccccc1)c1cccs1 ZINC000011289260 211210634 /nfs/dbraw/zinc/21/06/34/211210634.db2.gz HSSZUDBDTGUJAR-HNAYVOBHSA-N 1 1 330.497 4.254 50 0 EIAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000010035744 211143743 /nfs/dbraw/zinc/14/37/43/211143743.db2.gz DPOALMCWVPDCFQ-TXEJJXNPSA-N 1 1 339.361 4.233 50 0 EIAAMO CC(C)CC[C@]1(CC[NH2+]CCCN(C)C)CCO[C@H](C(C)C)C1 ZINC000009530617 211099755 /nfs/dbraw/zinc/09/97/55/211099755.db2.gz QUDBQDYIZVMSGS-PMACEKPBSA-N 1 1 326.569 4.175 50 0 EIAAMO Cc1ccc(Cl)c(NC(=O)C[N@@H+](C)Cc2ccccc2)c1Cl ZINC000009155529 211046259 /nfs/dbraw/zinc/04/62/59/211046259.db2.gz XQETZAUXEBOHNY-UHFFFAOYSA-N 1 1 337.250 4.372 50 0 EIAAMO Cc1ccc(Cl)c(NC(=O)C[N@H+](C)Cc2ccccc2)c1Cl ZINC000009155529 211046263 /nfs/dbraw/zinc/04/62/63/211046263.db2.gz XQETZAUXEBOHNY-UHFFFAOYSA-N 1 1 337.250 4.372 50 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C[C@H](NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1cncc(F)c1 ZINC000164996843 226106343 /nfs/dbraw/zinc/10/63/43/226106343.db2.gz QNWGPYRIGBWJJF-IYOUNJFTSA-N 1 1 333.476 4.016 50 0 EIAAMO C[C@H](NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1cncc(F)c1 ZINC000164996843 226106345 /nfs/dbraw/zinc/10/63/45/226106345.db2.gz QNWGPYRIGBWJJF-IYOUNJFTSA-N 1 1 333.476 4.016 50 0 EIAAMO O=C(c1cccc(C(F)(F)F)c1)c1ccccc1C[NH+]1CC=CC1 ZINC000002515904 563437149 /nfs/dbraw/zinc/43/71/49/563437149.db2.gz GXEPLYDKLPYBOD-UHFFFAOYSA-N 1 1 331.337 4.308 50 0 EIAAMO COc1ccccc1/C=C/C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000004980870 563517021 /nfs/dbraw/zinc/51/70/21/563517021.db2.gz HNXIOEPDMRTNKL-FNORWQNLSA-N 1 1 342.870 4.184 50 0 EIAAMO COc1ccc([C@@H]2CCCCC[N@H+]2Cc2cn3ccccc3n2)cc1 ZINC000071924154 563649656 /nfs/dbraw/zinc/64/96/56/563649656.db2.gz XPANORKTEFVZQC-FQEVSTJZSA-N 1 1 335.451 4.460 50 0 EIAAMO c1ccc(C[N@H+](Cc2nc(COc3ccccc3)no2)CC2CC2)cc1 ZINC000012756073 563670147 /nfs/dbraw/zinc/67/01/47/563670147.db2.gz 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563784747 /nfs/dbraw/zinc/78/47/47/563784747.db2.gz SBDXNBVRZVVANP-UHFFFAOYSA-N 1 1 329.494 4.085 50 0 EIAAMO O=C(NC1CC1)[C@@H](Nc1ccc([NH+]2CCCCC2)cc1)c1ccccc1 ZINC000015469041 563784877 /nfs/dbraw/zinc/78/48/77/563784877.db2.gz ZWPDBRBOWQQOPY-NRFANRHFSA-N 1 1 349.478 4.109 50 0 EIAAMO Cc1cccc(C[N@@H+]2CCCC[C@H]2c2nc(-c3ccncc3)no2)c1 ZINC000065286101 563845131 /nfs/dbraw/zinc/84/51/31/563845131.db2.gz WXDIQSPDMUFWCB-SFHVURJKSA-N 1 1 334.423 4.167 50 0 EIAAMO Cc1cccc(C[N@H+]2CCCC[C@H]2c2nc(-c3ccncc3)no2)c1 ZINC000065286101 563845136 /nfs/dbraw/zinc/84/51/36/563845136.db2.gz WXDIQSPDMUFWCB-SFHVURJKSA-N 1 1 334.423 4.167 50 0 EIAAMO C[C@@H](C1CC1)[N@@H+](CC(=O)Nc1cccc(F)c1)Cc1ccccc1 ZINC000024673523 563874051 /nfs/dbraw/zinc/87/40/51/563874051.db2.gz GMPZXMGBSODXDZ-HNNXBMFYSA-N 1 1 326.415 4.065 50 0 EIAAMO O=C(Nc1ccccc1)[C@H]1CCC[N@H+]1Cc1cccc2ccccc21 ZINC000028074346 563901399 /nfs/dbraw/zinc/90/13/99/563901399.db2.gz FWYDSGLISKZDDH-OAQYLSRUSA-N 1 1 330.431 4.443 50 0 EIAAMO COc1ccc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)cc1SC(F)(F)F ZINC000072304870 563914475 /nfs/dbraw/zinc/91/44/75/563914475.db2.gz BKZOBNBDPCOUOU-LLVKDONJSA-N 1 1 349.418 4.306 50 0 EIAAMO COc1ccc(C[N@H+]2C[C@@H](C)OC(C)(C)C2)cc1SC(F)(F)F ZINC000072304870 563914477 /nfs/dbraw/zinc/91/44/77/563914477.db2.gz BKZOBNBDPCOUOU-LLVKDONJSA-N 1 1 349.418 4.306 50 0 EIAAMO CC(C)N(C(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000058023360 563936841 /nfs/dbraw/zinc/93/68/41/563936841.db2.gz SKSVJXIVWWXCBN-FQEVSTJZSA-N 1 1 340.442 4.404 50 0 EIAAMO CC(C)N(C(=O)C[N@H+]1CCC[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000058023360 563936843 /nfs/dbraw/zinc/93/68/43/563936843.db2.gz SKSVJXIVWWXCBN-FQEVSTJZSA-N 1 1 340.442 4.404 50 0 EIAAMO Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000058160543 563938303 /nfs/dbraw/zinc/93/83/03/563938303.db2.gz DVOWUGHVNPBJCX-UHFFFAOYSA-N 1 1 330.431 4.448 50 0 EIAAMO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000058160543 563938304 /nfs/dbraw/zinc/93/83/04/563938304.db2.gz DVOWUGHVNPBJCX-UHFFFAOYSA-N 1 1 330.431 4.448 50 0 EIAAMO COc1c(C[NH2+][C@H](C)c2cc3ccccc3o2)c(C(C)C)nn1C ZINC000058392181 563944648 /nfs/dbraw/zinc/94/46/48/563944648.db2.gz MHJSINZVTIVHKP-CYBMUJFWSA-N 1 1 327.428 4.149 50 0 EIAAMO CC(C)CNC(=O)C[N@H+]([C@@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000059985172 563949535 /nfs/dbraw/zinc/94/95/35/563949535.db2.gz UDHLXOQQLOYBQM-ZDUSSCGKSA-N 1 1 342.405 4.003 50 0 EIAAMO CC(C)CNC(=O)C[N@@H+]([C@@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000059985172 563949536 /nfs/dbraw/zinc/94/95/36/563949536.db2.gz UDHLXOQQLOYBQM-ZDUSSCGKSA-N 1 1 342.405 4.003 50 0 EIAAMO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]Cc1nccn1CC(C)C ZINC000096478394 563955167 /nfs/dbraw/zinc/95/51/67/563955167.db2.gz QEFSTKPUHYLQAH-ZDUSSCGKSA-N 1 1 334.533 4.452 50 0 EIAAMO COc1ccc(OC)c(C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)no2)c1 ZINC000064667132 563957024 /nfs/dbraw/zinc/95/70/24/563957024.db2.gz XFVCBPLWJSOJTP-QGZVFWFLSA-N 1 1 330.428 4.152 50 0 EIAAMO COc1ccc(OC)c(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)no2)c1 ZINC000064667132 563957026 /nfs/dbraw/zinc/95/70/26/563957026.db2.gz XFVCBPLWJSOJTP-QGZVFWFLSA-N 1 1 330.428 4.152 50 0 EIAAMO Cc1ccc(-c2cc(O)c3c(c2)C[N@H+](CCn2cccc2)CCO3)cc1 ZINC000071278588 563964051 /nfs/dbraw/zinc/96/40/51/563964051.db2.gz WDSYBSABMOYGPY-UHFFFAOYSA-N 1 1 348.446 4.064 50 0 EIAAMO CC(C)(C)[N@H+](Cc1ccccc1)C[C@@H](O)Cc1ccc2ccccc2n1 ZINC000071767417 563965509 /nfs/dbraw/zinc/96/55/09/563965509.db2.gz ININYCUHIGCQCT-NRFANRHFSA-N 1 1 348.490 4.439 50 0 EIAAMO Cc1cc(C)n2cc(C[N@@H+](C)Cc3ccc4ccccc4c3)nc2n1 ZINC000060557463 563965865 /nfs/dbraw/zinc/96/58/65/563965865.db2.gz ODHHIIUGTFWLQU-UHFFFAOYSA-N 1 1 330.435 4.131 50 0 EIAAMO Cc1cc(C)n2cc(C[N@H+](C)Cc3ccc4ccccc4c3)nc2n1 ZINC000060557463 563965866 /nfs/dbraw/zinc/96/58/66/563965866.db2.gz ODHHIIUGTFWLQU-UHFFFAOYSA-N 1 1 330.435 4.131 50 0 EIAAMO Brc1ccc2nc(C[N@@H+]3CC[C@H]4CCCC[C@@H]43)[nH]c2c1 ZINC000097141142 563968285 /nfs/dbraw/zinc/96/82/85/563968285.db2.gz 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CC(C)CC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000241287095 564051918 /nfs/dbraw/zinc/05/19/18/564051918.db2.gz LJVHNVYQMGPRIL-WQHGSSGSSA-N 1 1 348.918 4.416 50 0 EIAAMO CC[NH+](CC)CCNCc1cn(Cc2ccccc2)c2ccccc12 ZINC000248234564 564053061 /nfs/dbraw/zinc/05/30/61/564053061.db2.gz DDXWXTUWMUALGD-UHFFFAOYSA-N 1 1 335.495 4.121 50 0 EIAAMO C[N@@H+](CCCNc1[nH]c(=S)nc2ccccc21)Cc1ccccc1 ZINC000034861115 564056992 /nfs/dbraw/zinc/05/69/92/564056992.db2.gz GPIYZTHSVVSFBY-UHFFFAOYSA-N 1 1 338.480 4.226 50 0 EIAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000006007728 564057563 /nfs/dbraw/zinc/05/75/63/564057563.db2.gz YYTKDJBCMXAENE-BETUJISGSA-N 1 1 330.453 4.017 50 0 EIAAMO Cc1cnc([C@H]([NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)C2CC2)s1 ZINC000120919434 564060567 /nfs/dbraw/zinc/06/05/67/564060567.db2.gz QNCWZWJUYKSEOA-SCLBCKFNSA-N 1 1 344.480 4.415 50 0 EIAAMO C[C@@H](c1ccc(-c2ccc(C(F)(F)F)cn2)cc1)[NH+]1CCOCC1 ZINC000534676851 564061644 /nfs/dbraw/zinc/06/16/44/564061644.db2.gz AXXBNDRZTBMDNH-ZDUSSCGKSA-N 1 1 336.357 4.161 50 0 EIAAMO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2CCOc4ccccc42)C3)cc1 ZINC000248408658 564064735 /nfs/dbraw/zinc/06/47/35/564064735.db2.gz CGJFPXBAYQZJKY-XAPVIXHLSA-N 1 1 348.490 4.295 50 0 EIAAMO CC(C)c1csc([C@H]2CCC[N@@H+](Cc3nnc(C(C)C)o3)C2)n1 ZINC000084630779 564069216 /nfs/dbraw/zinc/06/92/16/564069216.db2.gz SXEQKYKCVBHLOI-ZDUSSCGKSA-N 1 1 334.489 4.153 50 0 EIAAMO CC(C)c1csc([C@H]2CCC[N@H+](Cc3nnc(C(C)C)o3)C2)n1 ZINC000084630779 564069217 /nfs/dbraw/zinc/06/92/17/564069217.db2.gz SXEQKYKCVBHLOI-ZDUSSCGKSA-N 1 1 334.489 4.153 50 0 EIAAMO CSc1ccc(NC(=O)C[N@H+](Cc2ccc(F)cc2)C2CC2)cc1 ZINC000012910187 564077883 /nfs/dbraw/zinc/07/78/83/564077883.db2.gz UKWHCOIFVNLANX-UHFFFAOYSA-N 1 1 344.455 4.151 50 0 EIAAMO CSc1ccc(NC(=O)C[N@@H+](Cc2ccc(F)cc2)C2CC2)cc1 ZINC000012910187 564077884 /nfs/dbraw/zinc/07/78/84/564077884.db2.gz UKWHCOIFVNLANX-UHFFFAOYSA-N 1 1 344.455 4.151 50 0 EIAAMO CN(C(=O)C[N@H+](C)C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000012916402 564078050 /nfs/dbraw/zinc/07/80/50/564078050.db2.gz LXLVIDCOVYMBEC-UHFFFAOYSA-N 1 1 344.458 4.371 50 0 EIAAMO CN(C(=O)C[N@@H+](C)C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000012916402 564078051 /nfs/dbraw/zinc/07/80/51/564078051.db2.gz LXLVIDCOVYMBEC-UHFFFAOYSA-N 1 1 344.458 4.371 50 0 EIAAMO O=C(C[NH+]1CCC(c2cccs2)CC1)Nc1cccc(Cl)c1 ZINC000075172432 564081049 /nfs/dbraw/zinc/08/10/49/564081049.db2.gz XABKATXAEHCKSV-UHFFFAOYSA-N 1 1 334.872 4.220 50 0 EIAAMO C[C@H]1CC(CC[N@H+](C)C2CCN(C3CCOCC3)CC2)C[C@H](C)C1 ZINC000089123511 564081704 /nfs/dbraw/zinc/08/17/04/564081704.db2.gz ZFWGKUIBXXMISA-QZTJIDSGSA-N 1 1 336.564 4.024 50 0 EIAAMO C[C@H]1CC(CC[N@@H+](C)C2CCN(C3CCOCC3)CC2)C[C@H](C)C1 ZINC000089123511 564081705 /nfs/dbraw/zinc/08/17/05/564081705.db2.gz ZFWGKUIBXXMISA-QZTJIDSGSA-N 1 1 336.564 4.024 50 0 EIAAMO Cc1sc2[nH]c([C@@H](C)[N@H+]3CCC[C@@H](C(C)C)CC3)nc(=O)c2c1C ZINC000225432656 564084314 /nfs/dbraw/zinc/08/43/14/564084314.db2.gz VIXKSAZKHSYMDJ-UKRRQHHQSA-N 1 1 347.528 4.421 50 0 EIAAMO CCc1ccc([C@H](C)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)o1 ZINC000090667707 564085825 /nfs/dbraw/zinc/08/58/25/564085825.db2.gz HFUDNXZUWOLPKJ-JKSUJKDBSA-N 1 1 327.472 4.113 50 0 EIAAMO CSc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cc(C)ccc2C)cc1 ZINC000013017469 564086811 /nfs/dbraw/zinc/08/68/11/564086811.db2.gz PUKLZJYNCDERNH-INIZCTEOSA-N 1 1 342.508 4.484 50 0 EIAAMO CSc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cc(C)ccc2C)cc1 ZINC000013017469 564086812 /nfs/dbraw/zinc/08/68/12/564086812.db2.gz PUKLZJYNCDERNH-INIZCTEOSA-N 1 1 342.508 4.484 50 0 EIAAMO CCCc1noc([C@@H](C)[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)n1 ZINC000029832862 564087377 /nfs/dbraw/zinc/08/73/77/564087377.db2.gz RTTVCZHJMCFJPQ-ZIAGYGMSSA-N 1 1 340.427 4.104 50 0 EIAAMO CCCc1noc([C@@H](C)[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)n1 ZINC000029832862 564087378 /nfs/dbraw/zinc/08/73/78/564087378.db2.gz RTTVCZHJMCFJPQ-ZIAGYGMSSA-N 1 1 340.427 4.104 50 0 EIAAMO O=c1[nH]c(C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)nc2cc(Cl)ccc21 ZINC000242302062 564088501 /nfs/dbraw/zinc/08/85/01/564088501.db2.gz YPFWVAOXGRJEHB-STQMWFEESA-N 1 1 331.847 4.001 50 0 EIAAMO O=c1[nH]c(C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)nc2cc(Cl)ccc21 ZINC000242302062 564088502 /nfs/dbraw/zinc/08/85/02/564088502.db2.gz YPFWVAOXGRJEHB-STQMWFEESA-N 1 1 331.847 4.001 50 0 EIAAMO CC[NH+](CC)Cc1nc(=O)c2c([nH]1)sc(C)c2-c1ccc(C)cc1 ZINC000170082878 564105411 /nfs/dbraw/zinc/10/54/11/564105411.db2.gz CQHCYUDBQVQFDV-UHFFFAOYSA-N 1 1 341.480 4.110 50 0 EIAAMO Cc1oc(-c2ccccc2)c(C(=O)NCC[N@@H+]2CCCC[C@H]2C)c1C ZINC000170602147 564109476 /nfs/dbraw/zinc/10/94/76/564109476.db2.gz OCFOSVBEFKRBSR-OAHLLOKOSA-N 1 1 340.467 4.168 50 0 EIAAMO Cc1oc(-c2ccccc2)c(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1C ZINC000170602146 564109496 /nfs/dbraw/zinc/10/94/96/564109496.db2.gz OCFOSVBEFKRBSR-HNNXBMFYSA-N 1 1 340.467 4.168 50 0 EIAAMO Cc1ccc(O)c(CNc2cccc(Cn3cc[nH+]c3C(C)C)c2)n1 ZINC000089626776 564112795 /nfs/dbraw/zinc/11/27/95/564112795.db2.gz HANUNBRJSQSAQX-UHFFFAOYSA-N 1 1 336.439 4.076 50 0 EIAAMO Cc1ccc(NC(=O)C[N@H+](Cc2ccc(F)cc2)C2CC2)c(C)c1 ZINC000007788358 564123307 /nfs/dbraw/zinc/12/33/07/564123307.db2.gz HJZSBBSGAKCMCT-UHFFFAOYSA-N 1 1 326.415 4.046 50 0 EIAAMO Cc1ccc(NC(=O)C[N@@H+](Cc2ccc(F)cc2)C2CC2)c(C)c1 ZINC000007788358 564123308 /nfs/dbraw/zinc/12/33/08/564123308.db2.gz HJZSBBSGAKCMCT-UHFFFAOYSA-N 1 1 326.415 4.046 50 0 EIAAMO O[C@@H](C[C@@H]1CCCCC[N@@H+]1Cc1ncc(C2CC2)o1)c1ccco1 ZINC000253416131 564130719 /nfs/dbraw/zinc/13/07/19/564130719.db2.gz WJVHRCCVMUSQPT-HOTGVXAUSA-N 1 1 330.428 4.013 50 0 EIAAMO O[C@@H](C[C@@H]1CCCCC[N@H+]1Cc1ncc(C2CC2)o1)c1ccco1 ZINC000253416131 564130720 /nfs/dbraw/zinc/13/07/20/564130720.db2.gz WJVHRCCVMUSQPT-HOTGVXAUSA-N 1 1 330.428 4.013 50 0 EIAAMO O=C(c1cccc(C[N@H+]2CCC[C@@H]2c2cccnc2)c1)N1CCCCC1 ZINC000253420167 564130999 /nfs/dbraw/zinc/13/09/99/564130999.db2.gz VTVAZPTVTCHLQO-OAQYLSRUSA-N 1 1 349.478 4.045 50 0 EIAAMO CC(C)CC(=O)Nc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC000095461565 564140767 /nfs/dbraw/zinc/14/07/67/564140767.db2.gz JUSHNMWPKVYQOI-HXUWFJFHSA-N 1 1 346.515 4.451 50 0 EIAAMO COc1ccc([C@H]([NH2+]Cc2c(C)noc2C)c2ccc(C)cc2)cc1 ZINC000095955439 564142518 /nfs/dbraw/zinc/14/25/18/564142518.db2.gz VQZRZYRMGSMGMY-OAQYLSRUSA-N 1 1 336.435 4.488 50 0 EIAAMO Cc1nnc(C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)s1 ZINC000095987513 564144016 /nfs/dbraw/zinc/14/40/16/564144016.db2.gz JIFPGVBIHVZCGS-AWEZNQCLSA-N 1 1 327.375 4.106 50 0 EIAAMO C[NH+](C)CCN[C@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000022593962 564149596 /nfs/dbraw/zinc/14/95/96/564149596.db2.gz DYRGNAWDGFZLMW-INIZCTEOSA-N 1 1 332.900 4.240 50 0 EIAAMO Cc1ccc(NC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)cc1 ZINC000057457733 564154351 /nfs/dbraw/zinc/15/43/51/564154351.db2.gz DXEMLBUTOMBZEO-UHFFFAOYSA-N 1 1 330.431 4.313 50 0 EIAAMO C[C@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(Cl)cc1 ZINC000057503951 564154583 /nfs/dbraw/zinc/15/45/83/564154583.db2.gz YCJRDYBPRZZQLJ-SCLBCKFNSA-N 1 1 328.843 4.011 50 0 EIAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc2ccccc2c1 ZINC000032398800 564161400 /nfs/dbraw/zinc/16/14/00/564161400.db2.gz SFHCTNZAQQQRRG-UHFFFAOYSA-N 1 1 344.458 4.018 50 0 EIAAMO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1F)[C@H]1CCCc2ccccc21 ZINC000008126391 564162848 /nfs/dbraw/zinc/16/28/48/564162848.db2.gz MFYPFKDTUSASQY-SFHVURJKSA-N 1 1 346.833 4.427 50 0 EIAAMO CCN(CC)c1ccc2[nH]c(C)c(C[N@H+]3CCC[C@@H](C)C3)c(=O)c2c1 ZINC000008717371 564166805 /nfs/dbraw/zinc/16/68/05/564166805.db2.gz OXBIWWONYGMPNW-OAHLLOKOSA-N 1 1 341.499 4.327 50 0 EIAAMO C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(Nc2ccccc2)CC1 ZINC000069895471 564172716 /nfs/dbraw/zinc/17/27/16/564172716.db2.gz MOPBJIITZQASBA-MRXNPFEDSA-N 1 1 348.450 4.374 50 0 EIAAMO C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000071873500 564176223 /nfs/dbraw/zinc/17/62/23/564176223.db2.gz WULCPTDZWCVKEF-HNNXBMFYSA-N 1 1 347.418 4.293 50 0 EIAAMO C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000071873500 564176224 /nfs/dbraw/zinc/17/62/24/564176224.db2.gz WULCPTDZWCVKEF-HNNXBMFYSA-N 1 1 347.418 4.293 50 0 EIAAMO CC(C)(C)c1oc(C(N)=O)cc1C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000077300058 564176685 /nfs/dbraw/zinc/17/66/85/564176685.db2.gz PHBTYEIIZMHLIW-OAHLLOKOSA-N 1 1 344.455 4.386 50 0 EIAAMO OC[C@@H]1CCC[N@@H+](Cc2cccc(Oc3ccc(Cl)cc3)c2)C1 ZINC000023114988 1027731144 /nfs/dbraw/zinc/73/11/44/1027731144.db2.gz HPPZPHOCCXKJNK-MRXNPFEDSA-N 1 1 331.843 4.337 50 0 EIAAMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccc3ccccc3c1)CC2 ZINC000000207457 1029887499 /nfs/dbraw/zinc/88/74/99/1029887499.db2.gz PJCLDWQOWBBYNN-UHFFFAOYSA-N 1 1 333.431 4.415 50 0 EIAAMO CC(C)C[N@H+]1C[C@@H](c2nc(-c3ccccc3)no2)C2(CCCC2)C1 ZINC000257175680 1036174926 /nfs/dbraw/zinc/17/49/26/1036174926.db2.gz QOEOOZLKNAUCEI-KRWDZBQOSA-N 1 1 325.456 4.352 50 0 EIAAMO Cc1c[nH+]c(C[C@H]2CCN(C(=O)Nc3ccccc3F)C2)n1C(C)C ZINC000169787433 1036336336 /nfs/dbraw/zinc/33/63/36/1036336336.db2.gz UKMFRBWBBDBDSI-OAHLLOKOSA-N 1 1 344.434 4.008 50 0 EIAAMO C[C@]1(COc2ccncc2)CCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000257184949 1036338930 /nfs/dbraw/zinc/33/89/30/1036338930.db2.gz JAQLUZHPNIKWFT-IBGZPJMESA-N 1 1 332.394 4.041 50 0 EIAAMO C[C@]1(COc2ccncc2)CCC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000257184949 1036338944 /nfs/dbraw/zinc/33/89/44/1036338944.db2.gz JAQLUZHPNIKWFT-IBGZPJMESA-N 1 1 332.394 4.041 50 0 EIAAMO CC[N@H+]1CCC[C@@H](c2nnc3cc(C)c4ccc(Cl)cc4n32)C1 ZINC000032537478 1040765545 /nfs/dbraw/zinc/76/55/45/1040765545.db2.gz RCMNRMPLGWKLLI-CYBMUJFWSA-N 1 1 328.847 4.044 50 0 EIAAMO CSc1ccc(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)cc1 ZINC000012227870 1044412750 /nfs/dbraw/zinc/41/27/50/1044412750.db2.gz IFROUXZTWMUQPG-OAQYLSRUSA-N 1 1 341.520 4.226 50 0 EIAAMO Cc1c([C@@H](C)[NH2+]Cc2cccc(F)c2F)cnn1-c1cccc(F)c1 ZINC000012582024 1044440071 /nfs/dbraw/zinc/44/00/71/1044440071.db2.gz VTDFCVFWXIUDSU-GFCCVEGCSA-N 1 1 345.368 4.449 50 0 EIAAMO Cc1ccccc1Nc1nc(C[N@H+]2CC[C@]3(C2)CCCOC3)cs1 ZINC000585081324 1049389422 /nfs/dbraw/zinc/38/94/22/1049389422.db2.gz DMHOKPDXXHOLFF-IBGZPJMESA-N 1 1 343.496 4.198 50 0 EIAAMO CC[C@@H]1C=CCN1C(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000952869228 1049678615 /nfs/dbraw/zinc/67/86/15/1049678615.db2.gz GMEQBMDHBCFQGJ-JOCHJYFZSA-N 1 1 346.474 4.036 50 0 EIAAMO Cc1c[nH+]c(C[C@H]2CCCN(C(=O)CC3CCCC3)C2)n1C(C)C ZINC000581817077 1060025613 /nfs/dbraw/zinc/02/56/13/1060025613.db2.gz YZAQBZBVXVBOJI-GOSISDBHSA-N 1 1 331.504 4.134 50 0 EIAAMO C[N@H+](CCCc1ccccc1)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000052802635 214146829 /nfs/dbraw/zinc/14/68/29/214146829.db2.gz NCABNWOKCLBSBK-UHFFFAOYSA-N 1 1 347.418 4.146 50 0 EIAAMO C[N@@H+](CCCc1ccccc1)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000052802635 214146831 /nfs/dbraw/zinc/14/68/31/214146831.db2.gz NCABNWOKCLBSBK-UHFFFAOYSA-N 1 1 347.418 4.146 50 0 EIAAMO c1cc(C2CC[NH+](Cc3ccc([C@H]4CCCCO4)s3)CC2)[nH]n1 ZINC000097674426 219045823 /nfs/dbraw/zinc/04/58/23/219045823.db2.gz YKHGZAFNRWAOPH-QGZVFWFLSA-N 1 1 331.485 4.092 50 0 EIAAMO O=c1cc(C[N@@H+](Cc2ccccc2)C2CCCCC2)nc2ccccn12 ZINC000054268925 214229079 /nfs/dbraw/zinc/22/90/79/214229079.db2.gz CFGGNSLWIVHDCI-UHFFFAOYSA-N 1 1 347.462 4.029 50 0 EIAAMO COCc1ncc(C[N@@H+](C)[C@@H](CCC(C)C)c2ccccc2)cn1 ZINC000055036811 214266319 /nfs/dbraw/zinc/26/63/19/214266319.db2.gz SVYRHUNRRNMEQD-IBGZPJMESA-N 1 1 327.472 4.232 50 0 EIAAMO CN(Cc1cc(-c2ccccc2)on1)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000055358052 214311960 /nfs/dbraw/zinc/31/19/60/214311960.db2.gz DEJXBUGWCYMJEY-AZUAARDMSA-N 1 1 339.483 4.038 50 0 EIAAMO C[C@H](c1ccncn1)[N@H+](C)Cc1c[nH]nc1-c1cccc2ccccc21 ZINC000067787212 215211945 /nfs/dbraw/zinc/21/19/45/215211945.db2.gz XRGCTOWCPBQALA-OAHLLOKOSA-N 1 1 343.434 4.213 50 0 EIAAMO C[C@H](c1ccncn1)[N@@H+](C)Cc1c[nH]nc1-c1cccc2ccccc21 ZINC000067787212 215211947 /nfs/dbraw/zinc/21/19/47/215211947.db2.gz XRGCTOWCPBQALA-OAHLLOKOSA-N 1 1 343.434 4.213 50 0 EIAAMO c1cc(-c2noc(C[N@@H+]3CCC[C@@H]3CCc3ccccc3)n2)cs1 ZINC000040153650 213274759 /nfs/dbraw/zinc/27/47/59/213274759.db2.gz QKXKKQYVASYSKK-QGZVFWFLSA-N 1 1 339.464 4.395 50 0 EIAAMO CC(C)c1ccc(NC(=S)NC[C@H](C)[N@H+]2CCCC[C@H]2C)cc1 ZINC000036847531 213122746 /nfs/dbraw/zinc/12/27/46/213122746.db2.gz NBZWKSXFOKSUSU-CVEARBPZSA-N 1 1 333.545 4.359 50 0 EIAAMO COc1ccccc1C[N@H+]1CCCn2cccc2[C@H]1c1ccccc1 ZINC000036347914 213086911 /nfs/dbraw/zinc/08/69/11/213086911.db2.gz IFPRFLOGGSHHMZ-JOCHJYFZSA-N 1 1 332.447 4.492 50 0 EIAAMO CCC[N@H+](Cc1cc(C)ccc1C)C[C@@H](O)COCc1ccccc1 ZINC000036097422 213065884 /nfs/dbraw/zinc/06/58/84/213065884.db2.gz VKQUCADQXODOII-JOCHJYFZSA-N 1 1 341.495 4.093 50 0 EIAAMO Cc1ccc(C[N@@H+](CC(C)C)C[C@@H](O)COCc2ccccc2)cc1 ZINC000036094929 213063816 /nfs/dbraw/zinc/06/38/16/213063816.db2.gz DWVVQSWJJLEQMC-JOCHJYFZSA-N 1 1 341.495 4.031 50 0 EIAAMO CC(C)c1nccc(C[NH+]2CCN(c3ccc4ccccc4c3)CC2)n1 ZINC000072129136 216018661 /nfs/dbraw/zinc/01/86/61/216018661.db2.gz YVNNROHJDTVMAP-UHFFFAOYSA-N 1 1 346.478 4.075 50 0 EIAAMO COc1cccc2ccc(C[N@@H+](C)Cc3cccc4ncccc34)nc21 ZINC000072128223 216019828 /nfs/dbraw/zinc/01/98/28/216019828.db2.gz IOFMPUJJUWBZAQ-UHFFFAOYSA-N 1 1 343.430 4.424 50 0 EIAAMO COc1cc(OC)c(C[N@@H+]2CCCCC[C@H]2c2ccco2)c(OC)c1 ZINC000072135331 216023086 /nfs/dbraw/zinc/02/30/86/216023086.db2.gz OQFCYEJTGYWOPS-KRWDZBQOSA-N 1 1 345.439 4.423 50 0 EIAAMO COc1cc(OC)c(C[N@H+]2CCCCC[C@H]2c2ccco2)c(OC)c1 ZINC000072135331 216023089 /nfs/dbraw/zinc/02/30/89/216023089.db2.gz OQFCYEJTGYWOPS-KRWDZBQOSA-N 1 1 345.439 4.423 50 0 EIAAMO CC[C@@H](Nc1nc(C2CCCC2)nc2c1C[NH2+]C2)c1cc(C)ccn1 ZINC000072145499 216032476 /nfs/dbraw/zinc/03/24/76/216032476.db2.gz WZLLKTDSAMEXSP-MRXNPFEDSA-N 1 1 337.471 4.004 50 0 EIAAMO CN1CC[NH+](CCc2ccccc2Sc2ccc(Cl)cc2)CC1 ZINC000022865441 212330719 /nfs/dbraw/zinc/33/07/19/212330719.db2.gz IOELZZXKDKBAEK-UHFFFAOYSA-N 1 1 346.927 4.281 50 0 EIAAMO C[N@@H+](CCC(=O)Nc1ccccc1-c1ccccc1)Cc1ccco1 ZINC000022199009 212281738 /nfs/dbraw/zinc/28/17/38/212281738.db2.gz CRKKQIHHTFMPDN-UHFFFAOYSA-N 1 1 334.419 4.407 50 0 EIAAMO COC[C@H]1CCCC[N@H+]1Cc1ccc(OCC=C(C)C)c(OC)c1 ZINC000215822286 241146588 /nfs/dbraw/zinc/14/65/88/241146588.db2.gz WEAACGXPQBHJNE-GOSISDBHSA-N 1 1 333.472 4.041 50 0 EIAAMO C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000229720076 242194117 /nfs/dbraw/zinc/19/41/17/242194117.db2.gz WHBXSBHMXCHYER-GOEBONIOSA-N 1 1 328.843 4.157 50 0 EIAAMO C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000229720076 242194121 /nfs/dbraw/zinc/19/41/21/242194121.db2.gz WHBXSBHMXCHYER-GOEBONIOSA-N 1 1 328.843 4.157 50 0 EIAAMO C[N@@H+]1CCN(Cc2cc(C3CCCCC3)no2)C[C@@H]1c1ccccc1 ZINC000244874264 243091581 /nfs/dbraw/zinc/09/15/81/243091581.db2.gz WXROCUASTSWSQQ-OAQYLSRUSA-N 1 1 339.483 4.211 50 0 EIAAMO C[N@H+]1CCN(Cc2cc(C3CCCCC3)no2)C[C@@H]1c1ccccc1 ZINC000244874264 243091583 /nfs/dbraw/zinc/09/15/83/243091583.db2.gz WXROCUASTSWSQQ-OAQYLSRUSA-N 1 1 339.483 4.211 50 0 EIAAMO Cc1cccc(C)c1NC(=S)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000020130349 212103889 /nfs/dbraw/zinc/10/38/89/212103889.db2.gz LWMQYASCROCZCR-LJQANCHMSA-N 1 1 340.492 4.116 50 0 EIAAMO CCc1cccc(CC)c1NC(=O)C[N@@H+](CC)Cc1cccc(F)c1 ZINC000019540908 212040941 /nfs/dbraw/zinc/04/09/41/212040941.db2.gz YMFGNFVBKZSUKB-UHFFFAOYSA-N 1 1 342.458 4.411 50 0 EIAAMO CCc1cccc(CC)c1NC(=O)C[N@H+](CC)Cc1cccc(F)c1 ZINC000019540908 212040943 /nfs/dbraw/zinc/04/09/43/212040943.db2.gz YMFGNFVBKZSUKB-UHFFFAOYSA-N 1 1 342.458 4.411 50 0 EIAAMO CSc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000019360167 212021810 /nfs/dbraw/zinc/02/18/10/212021810.db2.gz KDKNOYWLNQHKDG-UHFFFAOYSA-N 1 1 346.927 4.380 50 0 EIAAMO Fc1ccc([C@H](Cn2cnc3ccccc32)[NH2+]Cc2ccccn2)cc1 ZINC000078552693 217073312 /nfs/dbraw/zinc/07/33/12/217073312.db2.gz FQHFNCPZDQCBIZ-FQEVSTJZSA-N 1 1 346.409 4.102 50 0 EIAAMO OC[C@@]1(CCc2ccccc2)CCC[N@@H+](CCCc2ccccc2)C1 ZINC000012429719 211378278 /nfs/dbraw/zinc/37/82/78/211378278.db2.gz ZMKGJJVJAOEAJN-HSZRJFAPSA-N 1 1 337.507 4.327 50 0 EIAAMO COc1ccc(CNc2[nH+]c3ccccc3n2C)c2c(OC)cccc12 ZINC000012523748 211397688 /nfs/dbraw/zinc/39/76/88/211397688.db2.gz FTADZMUBPGNGMQ-UHFFFAOYSA-N 1 1 347.418 4.356 50 0 EIAAMO O=C(NC[C@H]1CCC[N@@H+](CCCC2CCCC2)C1)c1ccc(F)cc1 ZINC000012453826 211386519 /nfs/dbraw/zinc/38/65/19/211386519.db2.gz AYJQCQCOPGDUCF-GOSISDBHSA-N 1 1 346.490 4.238 50 0 EIAAMO CN(C(=O)CC1=CCCCC1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012438369 211381335 /nfs/dbraw/zinc/38/13/35/211381335.db2.gz CTMAHIWRNVSJDN-NRFANRHFSA-N 1 1 340.511 4.042 50 0 EIAAMO COCCCC1CC[NH+](Cc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000012386709 211364962 /nfs/dbraw/zinc/36/49/62/211364962.db2.gz CEJXOXWTWCRNKR-UHFFFAOYSA-N 1 1 349.862 4.029 50 0 EIAAMO COc1ccc(C[N@H+]2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)cc1O ZINC000012319703 211344017 /nfs/dbraw/zinc/34/40/17/211344017.db2.gz NOMMNZQFRKCLSG-LJQANCHMSA-N 1 1 340.467 4.094 50 0 EIAAMO CC(C)(C)c1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccccn3)C2)cc1 ZINC000012306440 211342203 /nfs/dbraw/zinc/34/22/03/211342203.db2.gz IMAMXMWDWGJOIV-SFHVURJKSA-N 1 1 336.479 4.474 50 0 EIAAMO Cc1cc(C[NH2+][C@@H](C)c2cnn(-c3cccc4ccccc43)c2C)[nH]n1 ZINC000012300385 211337448 /nfs/dbraw/zinc/33/74/48/211337448.db2.gz KMZBDQWWQNVTGF-HNNXBMFYSA-N 1 1 345.450 4.216 50 0 EIAAMO COc1c(C)cc(C(=O)[C@H]2CCC[N@H+](C3CCSCC3)C2)cc1C ZINC000011753561 211243616 /nfs/dbraw/zinc/24/36/16/211243616.db2.gz GZSABPQTELBHGH-INIZCTEOSA-N 1 1 347.524 4.102 50 0 EIAAMO CC(C)[C@H](NC(=O)C[N@@H+](C)[C@@H](C)c1ccccc1)c1cccs1 ZINC000011289246 211209734 /nfs/dbraw/zinc/20/97/34/211209734.db2.gz HSSZUDBDTGUJAR-KXBFYZLASA-N 1 1 330.497 4.254 50 0 EIAAMO COc1cccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3cccs3)n2)c1 ZINC000009478542 211089424 /nfs/dbraw/zinc/08/94/24/211089424.db2.gz LSEWQOHCQPDHFH-OAHLLOKOSA-N 1 1 341.436 4.144 50 0 EIAAMO COc1cccc(-c2noc(C[N@H+]3CCC[C@@H]3c3cccs3)n2)c1 ZINC000009478542 211089426 /nfs/dbraw/zinc/08/94/26/211089426.db2.gz LSEWQOHCQPDHFH-OAHLLOKOSA-N 1 1 341.436 4.144 50 0 EIAAMO CCCCn1ccnc1[C@H]1CCC[N@H+](Cc2csc(CC)n2)C1 ZINC000095379110 218311677 /nfs/dbraw/zinc/31/16/77/218311677.db2.gz OIQIERBEIIWLLZ-HNNXBMFYSA-N 1 1 332.517 4.082 50 0 EIAAMO CCCCn1ccnc1[C@H]1CCC[N@@H+](Cc2csc(CC)n2)C1 ZINC000095379110 218311679 /nfs/dbraw/zinc/31/16/79/218311679.db2.gz OIQIERBEIIWLLZ-HNNXBMFYSA-N 1 1 332.517 4.082 50 0 EIAAMO CCc1nc(C)sc1C[N@H+]1CCC[C@H](c2nccn2C(C)C)C1 ZINC000095387248 218318800 /nfs/dbraw/zinc/31/88/00/218318800.db2.gz NTEYONVMOZBHPP-HNNXBMFYSA-N 1 1 332.517 4.171 50 0 EIAAMO COc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2c(C)cccc2C)c1 ZINC000008752048 211000086 /nfs/dbraw/zinc/00/00/86/211000086.db2.gz IGKOXTBEGNNGED-LJQANCHMSA-N 1 1 338.451 4.088 50 0 EIAAMO COc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2c(C)cccc2C)c1 ZINC000008752048 211000089 /nfs/dbraw/zinc/00/00/89/211000089.db2.gz IGKOXTBEGNNGED-LJQANCHMSA-N 1 1 338.451 4.088 50 0 EIAAMO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1nc(-c2ccccc2)cs1 ZINC000095420778 218362119 /nfs/dbraw/zinc/36/21/19/218362119.db2.gz AWGYECJCXKDAAG-FASAQXTFSA-N 1 1 336.460 4.119 50 0 EIAAMO C[C@@H]([NH2+][C@@H](c1nccs1)C1CC1)c1ccc(N2CCCC2=O)cc1 ZINC000096478555 218855558 /nfs/dbraw/zinc/85/55/58/218855558.db2.gz LMXZPOPDEIHEAL-FZKQIMNGSA-N 1 1 341.480 4.072 50 0 EIAAMO C[C@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)N1CCc2ccccc21 ZINC000007003172 208569662 /nfs/dbraw/zinc/56/96/62/208569662.db2.gz AECRKWDWGGQOHJ-KRWDZBQOSA-N 1 1 349.478 4.067 50 0 EIAAMO C[C@H]1CCCC[N@H+]1C1CN(C(=O)Nc2cccc(-c3ccco3)c2)C1 ZINC000299796201 258100515 /nfs/dbraw/zinc/10/05/15/258100515.db2.gz OFHALQJTKUNNEI-HNNXBMFYSA-N 1 1 339.439 4.037 50 0 EIAAMO CC[N@@H+](C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)C1CCCCC1 ZINC000006939066 258052624 /nfs/dbraw/zinc/05/26/24/258052624.db2.gz UXWBZOSDJIYNIY-KXBFYZLASA-N 1 1 339.907 4.433 50 0 EIAAMO Cc1ncccc1-c1nc([C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)no1 ZINC000299768837 258082610 /nfs/dbraw/zinc/08/26/10/258082610.db2.gz MOVWWWRRORNADE-OTWHNJEPSA-N 1 1 346.434 4.133 50 0 EIAAMO CC(=O)c1cccc(C[N@H+]2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)c1 ZINC000012593013 563664697 /nfs/dbraw/zinc/66/46/97/563664697.db2.gz BGKPRPDSCVBWBW-GOSISDBHSA-N 1 1 344.405 4.244 50 0 EIAAMO CC(=O)c1cccc(C[N@@H+]2CCC[C@H](C(=O)c3sccc3C)C2)c1 ZINC000012710433 563668247 /nfs/dbraw/zinc/66/82/47/563668247.db2.gz HLORNTWUWPMJKN-SFHVURJKSA-N 1 1 341.476 4.354 50 0 EIAAMO CC(=O)c1cccc(C[N@H+]2CCC[C@H](C(=O)c3sccc3C)C2)c1 ZINC000012710433 563668250 /nfs/dbraw/zinc/66/82/50/563668250.db2.gz HLORNTWUWPMJKN-SFHVURJKSA-N 1 1 341.476 4.354 50 0 EIAAMO Cc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3cccs3)no2)cc1 ZINC000032754412 563727607 /nfs/dbraw/zinc/72/76/07/563727607.db2.gz WEHCBKAYTSEJOD-OAHLLOKOSA-N 1 1 325.437 4.444 50 0 EIAAMO Cc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3cccs3)no2)cc1 ZINC000032754412 563727608 /nfs/dbraw/zinc/72/76/08/563727608.db2.gz WEHCBKAYTSEJOD-OAHLLOKOSA-N 1 1 325.437 4.444 50 0 EIAAMO C[N@H+](Cc1cccc2ccccc21)Cc1ccccc1N1CCOCC1 ZINC000016424423 563811010 /nfs/dbraw/zinc/81/10/10/563811010.db2.gz WJOFDMWLVQWAHK-UHFFFAOYSA-N 1 1 346.474 4.308 50 0 EIAAMO C[NH+](C)CC(=O)Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1 ZINC000000394250 563842262 /nfs/dbraw/zinc/84/22/62/563842262.db2.gz UGIJYMCHZFLGRU-UHFFFAOYSA-N 1 1 339.222 4.286 50 0 EIAAMO CCC(CC)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCCC1 ZINC000027663748 563898502 /nfs/dbraw/zinc/89/85/02/563898502.db2.gz FWDZURFFSFZLPW-SFHVURJKSA-N 1 1 336.907 4.419 50 0 EIAAMO C[N@@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCc2ccccc21 ZINC000029483085 563906858 /nfs/dbraw/zinc/90/68/58/563906858.db2.gz RGNUVCUDMUGFKT-QGZVFWFLSA-N 1 1 348.368 4.263 50 0 EIAAMO COc1ccc(/C=C/C2=CC[N@@H+](C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000004990292 563919032 /nfs/dbraw/zinc/91/90/32/563919032.db2.gz PFGACNCYPUZIOS-VQKOGROQSA-N 1 1 335.447 4.074 50 0 EIAAMO c1ccc(C[N@H+]2CC[C@H](Nc3ncnc4c5ccccc5oc43)C2)cc1 ZINC000033010786 563925094 /nfs/dbraw/zinc/92/50/94/563925094.db2.gz ORQCPTYXOKEATH-INIZCTEOSA-N 1 1 344.418 4.062 50 0 EIAAMO CCCCc1cc(=O)[nH]c(-c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)n1 ZINC000048441272 563930503 /nfs/dbraw/zinc/93/05/03/563930503.db2.gz DGHDQSCGOAHSQJ-MRXNPFEDSA-N 1 1 339.483 4.011 50 0 EIAAMO Cc1ccc2c(C[N@@H+](C)Cc3ccc(Cl)cc3)cc(=O)oc2c1 ZINC000058120500 563937558 /nfs/dbraw/zinc/93/75/58/563937558.db2.gz INSHIWBSZBAHHT-UHFFFAOYSA-N 1 1 327.811 4.387 50 0 EIAAMO c1ccn(C2CC[NH+](Cc3csc(Cc4ccccc4)n3)CC2)c1 ZINC000058526158 563946713 /nfs/dbraw/zinc/94/67/13/563946713.db2.gz FHWKNEAHGDFVNR-UHFFFAOYSA-N 1 1 337.492 4.373 50 0 EIAAMO CCC(CC)n1ncc(C)c1NC(=O)[C@@H](C)n1cc[nH+]c1C(C)C ZINC000065432322 563960784 /nfs/dbraw/zinc/96/07/84/563960784.db2.gz SPRNWAGJECDKAX-CQSZACIVSA-N 1 1 331.464 4.072 50 0 EIAAMO COc1ccc(-c2nc(C[NH+]3CCC(F)CC3)c(C)o2)c(C)c1C ZINC000071748269 563965035 /nfs/dbraw/zinc/96/50/35/563965035.db2.gz GYWSRDJPOQZFJD-UHFFFAOYSA-N 1 1 332.419 4.209 50 0 EIAAMO CC(C)CNc1cc[nH+]c(NCc2csc(-c3ccccc3)n2)n1 ZINC000071773506 563965718 /nfs/dbraw/zinc/96/57/18/563965718.db2.gz DGRJOOOHPBSAHD-UHFFFAOYSA-N 1 1 339.468 4.280 50 0 in-vitro EIAAMO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(CCc2ccccc2)no1 ZINC000097165596 563968528 /nfs/dbraw/zinc/96/85/28/563968528.db2.gz WUMJHCRAWFMXRZ-IAGOWNOFSA-N 1 1 345.512 4.009 50 0 EIAAMO C[C@@H]1CCCC[N@H+]1C1CN(c2nc(-c3ccc(F)cc3)cs2)C1 ZINC000077300147 563968837 /nfs/dbraw/zinc/96/88/37/563968837.db2.gz JPBVFVNBJSJEQJ-CYBMUJFWSA-N 1 1 331.460 4.012 50 0 EIAAMO Cc1ccc([C@H](C)CC[N@@H+](C)Cc2cc(-c3cccnc3)no2)o1 ZINC000077354714 563969103 /nfs/dbraw/zinc/96/91/03/563969103.db2.gz YFJUIGBUUQFECM-CQSZACIVSA-N 1 1 325.412 4.264 50 0 EIAAMO Clc1cccc2ccc(CN3CCC[N@H+](C4CCCC4)CC3)nc12 ZINC000077428073 563969627 /nfs/dbraw/zinc/96/96/27/563969627.db2.gz VYTRTLAXYHWPKC-UHFFFAOYSA-N 1 1 343.902 4.339 50 0 EIAAMO Cc1ccc(C(=O)c2ccccc2C[NH+]2CCSCC2)c(C)c1 ZINC000085651661 563973898 /nfs/dbraw/zinc/97/38/98/563973898.db2.gz XMAFKWUZNHDPLQ-UHFFFAOYSA-N 1 1 325.477 4.083 50 0 EIAAMO CCCN(Cc1ccsc1)C(=O)[C@@H](c1ccccc1C)[NH+](C)C ZINC000095530101 563977535 /nfs/dbraw/zinc/97/75/35/563977535.db2.gz HJKDNYIHTHKQBC-GOSISDBHSA-N 1 1 330.497 4.098 50 0 EIAAMO Cc1ccc(-c2csc(NC(=O)C[N@H+]3C[C@H](C)C[C@H](C)C3)n2)cc1 ZINC000014075319 563983140 /nfs/dbraw/zinc/98/31/40/563983140.db2.gz BYNFQBLCVCLNCF-GASCZTMLSA-N 1 1 343.496 4.035 50 0 EIAAMO Cc1ccc(-c2csc(NC(=O)C[N@@H+]3C[C@H](C)C[C@H](C)C3)n2)cc1 ZINC000014075319 563983141 /nfs/dbraw/zinc/98/31/41/563983141.db2.gz BYNFQBLCVCLNCF-GASCZTMLSA-N 1 1 343.496 4.035 50 0 EIAAMO Cc1cc(C)c(NC(=O)C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c(Cl)c1 ZINC000247891282 563991476 /nfs/dbraw/zinc/99/14/76/563991476.db2.gz FXTVLAQUPJRXSW-CVEARBPZSA-N 1 1 334.891 4.407 50 0 EIAAMO Cc1cc(C)c(NC(=O)C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c(Cl)c1 ZINC000247891282 563991477 /nfs/dbraw/zinc/99/14/77/563991477.db2.gz FXTVLAQUPJRXSW-CVEARBPZSA-N 1 1 334.891 4.407 50 0 EIAAMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cc(Cl)sc2Cl)C1 ZINC000069920507 563995228 /nfs/dbraw/zinc/99/52/28/563995228.db2.gz SEEHORDJRZIDQU-SNVBAGLBSA-N 1 1 344.267 4.037 50 0 EIAAMO Cc1[nH]c2ccccc2c1C(=O)[C@H](C)[N@H+]1CCC[C@H]1c1cccn1C ZINC000248142358 563995354 /nfs/dbraw/zinc/99/53/54/563995354.db2.gz QRSBEGZJEAHYSN-KXBFYZLASA-N 1 1 335.451 4.223 50 0 EIAAMO Cc1nn(C)cc1C[NH2+][C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000179057311 563996552 /nfs/dbraw/zinc/99/65/52/563996552.db2.gz IGKYJZZHUKXUNC-NRFANRHFSA-N 1 1 331.419 4.354 50 0 EIAAMO Cc1cc([NH+](C)C)cc(C)c1NCc1nccn1Cc1ccccc1 ZINC000152356509 564005546 /nfs/dbraw/zinc/00/55/46/564005546.db2.gz YZNBOCPQKCJTDY-UHFFFAOYSA-N 1 1 334.467 4.226 50 0 EIAAMO CCN(C(=O)C[N@H+]1CCC[C@@H]1Cc1ccccc1)c1ccccc1C ZINC000062580534 564006502 /nfs/dbraw/zinc/00/65/02/564006502.db2.gz FKNHRACMQDPALP-HXUWFJFHSA-N 1 1 336.479 4.055 50 0 EIAAMO CC[N@@H+](C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1)C1CCCCC1 ZINC000102395948 564019994 /nfs/dbraw/zinc/01/99/94/564019994.db2.gz UXWBZOSDJIYNIY-DNVCBOLYSA-N 1 1 339.907 4.433 50 0 EIAAMO CC(C)[C@@H](NC(=O)C[N@@H+](C)[C@H](C)c1ccccc1)c1cccs1 ZINC000104725810 564023995 /nfs/dbraw/zinc/02/39/95/564023995.db2.gz 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c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@H]2CCOc4ccccc42)C3)cc1 ZINC000248408657 564064745 /nfs/dbraw/zinc/06/47/45/564064745.db2.gz CGJFPXBAYQZJKY-KEZQHZCBSA-N 1 1 348.490 4.295 50 0 EIAAMO Cc1cc2oc(=O)cc(C[N@H+]3CC[C@H](c4ccccc4)C3)c2cc1C ZINC000084128964 564066826 /nfs/dbraw/zinc/06/68/26/564066826.db2.gz AQZOIWPKADJPLD-SFHVURJKSA-N 1 1 333.431 4.399 50 0 EIAAMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccccc3)no2)cc1 ZINC000012755477 564067232 /nfs/dbraw/zinc/06/72/32/564067232.db2.gz QUZYEVKCVHSBIM-SFHVURJKSA-N 1 1 335.407 4.082 50 0 EIAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc(-c3ccccc3)no2)cc1 ZINC000012755477 564067233 /nfs/dbraw/zinc/06/72/33/564067233.db2.gz QUZYEVKCVHSBIM-SFHVURJKSA-N 1 1 335.407 4.082 50 0 EIAAMO CC(C)=C[C@H]1[C@H](C(=O)NCc2ccccc2-n2cc[nH+]c2C)C1(C)C ZINC000084291114 564067644 /nfs/dbraw/zinc/06/76/44/564067644.db2.gz ONHDZISBUHMLLJ-PKOBYXMFSA-N 1 1 337.467 4.035 50 0 EIAAMO C[C@H](C1CC1)[N@@H+](C)Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000084636288 564069245 /nfs/dbraw/zinc/06/92/45/564069245.db2.gz RSFJPGCTBXODFE-SECBINFHSA-N 1 1 326.227 4.274 50 0 EIAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(=O)oc3cc(C)ccc23)cc1 ZINC000012809204 564072618 /nfs/dbraw/zinc/07/26/18/564072618.db2.gz QQFMOLYMULISNT-HXUWFJFHSA-N 1 1 349.430 4.447 50 0 EIAAMO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)c(OC)c1OC ZINC000015837180 564076479 /nfs/dbraw/zinc/07/64/79/564076479.db2.gz WUFFWOYYYZSQEY-QGZVFWFLSA-N 1 1 345.414 4.189 50 0 EIAAMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)c(OC)c1OC ZINC000015837180 564076480 /nfs/dbraw/zinc/07/64/80/564076480.db2.gz WUFFWOYYYZSQEY-QGZVFWFLSA-N 1 1 345.414 4.189 50 0 EIAAMO Cc1cccc(C[N@@H+]2CC=C(C(=O)Nc3ccc(C)c(F)c3)CC2)c1 ZINC000015861046 564076978 /nfs/dbraw/zinc/07/69/78/564076978.db2.gz OWAXUASZSKWKPO-UHFFFAOYSA-N 1 1 338.426 4.213 50 0 EIAAMO O=C(CC[N@H+]1CCC[C@H]1C1CCCCC1)N1CCc2sccc2C1 ZINC000075120734 564080363 /nfs/dbraw/zinc/08/03/63/564080363.db2.gz GURDXPDLWBUTAI-SFHVURJKSA-N 1 1 346.540 4.068 50 0 EIAAMO CCc1cccc(C)c1NC(=O)C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000006638549 564094792 /nfs/dbraw/zinc/09/47/92/564094792.db2.gz VFOHLHGHGXLVPE-UHFFFAOYSA-N 1 1 330.859 4.281 50 0 EIAAMO CCc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000006638549 564094793 /nfs/dbraw/zinc/09/47/93/564094793.db2.gz VFOHLHGHGXLVPE-UHFFFAOYSA-N 1 1 330.859 4.281 50 0 EIAAMO CC[C@@H](C)[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccccc1C ZINC000169681831 564098218 /nfs/dbraw/zinc/09/82/18/564098218.db2.gz BTGWXGZFTMGJDO-UYAOXDASSA-N 1 1 327.468 4.035 50 0 EIAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNc2cnnc3c(Cl)cccc23)C1 ZINC000006998370 564102775 /nfs/dbraw/zinc/10/27/75/564102775.db2.gz VQPCIDHXNDGXJI-OKILXGFUSA-N 1 1 332.879 4.063 50 0 EIAAMO Cc1ccc(C[N@@H+]2CCCC[C@H]2c2nc(-c3cccnc3)no2)cc1 ZINC000065286079 564104362 /nfs/dbraw/zinc/10/43/62/564104362.db2.gz VUQNIVLHRFMINE-SFHVURJKSA-N 1 1 334.423 4.167 50 0 EIAAMO Cc1ccc(C[N@H+]2CCCC[C@H]2c2nc(-c3cccnc3)no2)cc1 ZINC000065286079 564104363 /nfs/dbraw/zinc/10/43/63/564104363.db2.gz 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CC(=O)c1cc(C[N@H+]2CCC[C@H](Nc3ccc(F)cc3)C2)cs1 ZINC000012713841 1024093231 /nfs/dbraw/zinc/09/32/31/1024093231.db2.gz MJFYAIRIZLFYBP-KRWDZBQOSA-N 1 1 332.444 4.166 50 0 EIAAMO Cc1ccc(C[N@H+]2CCCCCNC(=O)C[C@@H]2c2ccccc2)s1 ZINC000257195573 1036638729 /nfs/dbraw/zinc/63/87/29/1036638729.db2.gz WJKQPSFSRQCJFL-LJQANCHMSA-N 1 1 342.508 4.290 50 0 EIAAMO Cc1ccc([C@H]2CCCC[N@H+]2Cc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000170639798 1043122055 /nfs/dbraw/zinc/12/20/55/1043122055.db2.gz UOMBQCQJCNOGIY-HXUWFJFHSA-N 1 1 347.462 4.039 50 0 EIAAMO COc1ccc2nc(C[N@H+]3CCC[C@@H](c4nccs4)C3)sc2c1 ZINC000186910163 1043170203 /nfs/dbraw/zinc/17/02/03/1043170203.db2.gz DGBASDKAAHXSII-GFCCVEGCSA-N 1 1 345.493 4.141 50 0 EIAAMO Cc1ccc(C[NH2+]Cc2cccnc2Oc2ccc(F)cc2F)o1 ZINC000011934200 1043754540 /nfs/dbraw/zinc/75/45/40/1043754540.db2.gz QPEZMFSZEICSAX-UHFFFAOYSA-N 1 1 330.334 4.343 50 0 EIAAMO CCc1[nH+]ccn1CCC(=O)N(Cc1sccc1C)C1CCCC1 ZINC000823557233 1044295797 /nfs/dbraw/zinc/29/57/97/1044295797.db2.gz 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C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CCCSCC1 ZINC000032935691 563845034 /nfs/dbraw/zinc/84/50/34/563845034.db2.gz UZNRHTDNDSIBGP-MRXNPFEDSA-N 1 1 340.492 4.120 50 0 EIAAMO COc1ccc([C@@H]2CCC[N@H+]2Cn2cnc3cc(C)c(C)cc32)cc1 ZINC000024105938 563869291 /nfs/dbraw/zinc/86/92/91/563869291.db2.gz JBDQMLOBLKXCKT-FQEVSTJZSA-N 1 1 335.451 4.456 50 0 EIAAMO COc1ccc2cc(C[N@@H+](C)C[C@@H](O)c3ccc(F)cc3)ccc2c1 ZINC000025233942 563882199 /nfs/dbraw/zinc/88/21/99/563882199.db2.gz ZTYGYUPNRBOFLG-OAQYLSRUSA-N 1 1 339.410 4.153 50 0 EIAAMO CC(C)[C@@H]([NH2+]Cc1nc2c3ccccc3oc2c(=O)[nH]1)c1ccccc1 ZINC000029189513 563905258 /nfs/dbraw/zinc/90/52/58/563905258.db2.gz IURNGNITQVFCSJ-GOSISDBHSA-N 1 1 347.418 4.156 50 0 EIAAMO C[N@H+](CN1c2cccc3cccc(c23)C1=O)[C@H]1CCc2ccccc21 ZINC000029309443 563905634 /nfs/dbraw/zinc/90/56/34/563905634.db2.gz WXPZISIPWVLLEA-IBGZPJMESA-N 1 1 328.415 4.377 50 0 EIAAMO C[N@@H+](CN1c2cccc3cccc(c23)C1=O)[C@H]1CCc2ccccc21 ZINC000029309443 563905637 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O=c1sn(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)c2ccccc12 ZINC000058171434 563938879 /nfs/dbraw/zinc/93/88/79/563938879.db2.gz QSLVIODCHUAPKJ-GOSISDBHSA-N 1 1 336.460 4.172 50 0 EIAAMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(C)c3)o2)C1 ZINC000096469703 563954487 /nfs/dbraw/zinc/95/44/87/563954487.db2.gz ACFBIROFTOCISF-QGZVFWFLSA-N 1 1 349.434 4.043 50 0 EIAAMO CC(C)n1cc([C@H](C)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cn1 ZINC000096478411 563955129 /nfs/dbraw/zinc/95/51/29/563955129.db2.gz FMSNPGKCZILYJI-FCEWJHQRSA-N 1 1 346.544 4.259 50 0 EIAAMO CC(C)n1cc([C@H](C)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cn1 ZINC000096478411 563955131 /nfs/dbraw/zinc/95/51/31/563955131.db2.gz FMSNPGKCZILYJI-FCEWJHQRSA-N 1 1 346.544 4.259 50 0 EIAAMO COc1cc(C[N@@H+]2CCC[C@H]2c2cc(C)no2)ccc1OCC(C)C ZINC000064666863 563956948 /nfs/dbraw/zinc/95/69/48/563956948.db2.gz XCMSCXOPYMDAOL-KRWDZBQOSA-N 1 1 344.455 4.364 50 0 EIAAMO COc1cc(C[N@H+]2CCC[C@H]2c2cc(C)no2)ccc1OCC(C)C ZINC000064666863 563956949 /nfs/dbraw/zinc/95/69/49/563956949.db2.gz XCMSCXOPYMDAOL-KRWDZBQOSA-N 1 1 344.455 4.364 50 0 EIAAMO C/C(=C\c1ccccc1)C[N@H+]1CCC[C@@H]1c1nc(-c2ccncc2)no1 ZINC000065398390 563959801 /nfs/dbraw/zinc/95/98/01/563959801.db2.gz WWKWHUZDWBTERO-JRJUITNWSA-N 1 1 346.434 4.372 50 0 EIAAMO CC[N@@H+](Cc1cc(=O)oc2c(C)cc(C)cc12)[C@@H]1CCOC(C)(C)C1 ZINC000065491115 563961482 /nfs/dbraw/zinc/96/14/82/563961482.db2.gz ZNKKDBASZSZPSJ-QGZVFWFLSA-N 1 1 343.467 4.189 50 0 EIAAMO O=C(c1cccc(C(F)(F)F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000071769305 563965584 /nfs/dbraw/zinc/96/55/84/563965584.db2.gz NQZFKXMHNXEUGI-INIZCTEOSA-N 1 1 333.353 4.410 50 0 EIAAMO C[C@@H](C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1cccs1 ZINC000097165432 563968486 /nfs/dbraw/zinc/96/84/86/563968486.db2.gz SHJOXLLHZVOLMF-UZLBHIALSA-N 1 1 342.508 4.023 50 0 EIAAMO CCCc1ccc2oc(C(=O)N(CC)C[C@H]3CC[N@@H+](C)C3)c(C)c2c1 ZINC000077321685 563968995 /nfs/dbraw/zinc/96/89/95/563968995.db2.gz ALBLVCSOHQYMGW-KRWDZBQOSA-N 1 1 342.483 4.108 50 0 EIAAMO CCn1ccc2c1cccc2C[N@@H+](C)Cc1cc(-c2cccnc2)no1 ZINC000077386821 563969344 /nfs/dbraw/zinc/96/93/44/563969344.db2.gz WTSPYHRTYVTQKT-UHFFFAOYSA-N 1 1 346.434 4.343 50 0 EIAAMO Clc1cccc(C[N@H+]2CCC[C@@H](c3nccn3CC3CC3)C2)c1 ZINC000082096523 563972114 /nfs/dbraw/zinc/97/21/14/563972114.db2.gz GUHLGSKPTXEWRA-QGZVFWFLSA-N 1 1 329.875 4.326 50 0 EIAAMO CCc1ccc(NC(=O)N2CCC(C[N@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000033312146 563973576 /nfs/dbraw/zinc/97/35/76/563973576.db2.gz RNXQSACJTXYHQJ-QGZVFWFLSA-N 1 1 343.515 4.225 50 0 EIAAMO Cc1ccc(NC(=O)N2CCC(C[N@@H+]3CCC[C@@H](C)C3)CC2)cc1C ZINC000033312150 563973593 /nfs/dbraw/zinc/97/35/93/563973593.db2.gz RRLMVZLILVEPSO-MRXNPFEDSA-N 1 1 343.515 4.279 50 0 EIAAMO O=C(c1ccc(C[NH+]2CCSCC2)cc1)c1ccccc1Cl ZINC000085651277 563973922 /nfs/dbraw/zinc/97/39/22/563973922.db2.gz MGNYEHPOYUKQAN-UHFFFAOYSA-N 1 1 331.868 4.120 50 0 EIAAMO CCc1cc(OCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1Cl ZINC000016247305 563976220 /nfs/dbraw/zinc/97/62/20/563976220.db2.gz 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/nfs/dbraw/zinc/01/16/10/564011610.db2.gz RMZWOYQDJGSRRH-UHFFFAOYSA-N 1 1 329.806 4.263 50 0 EIAAMO C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000102422810 564020029 /nfs/dbraw/zinc/02/00/29/564020029.db2.gz RIAHUMHFOFRFFL-QZTJIDSGSA-N 1 1 336.479 4.013 50 0 EIAAMO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000102510048 564020198 /nfs/dbraw/zinc/02/01/98/564020198.db2.gz GVLDSEQXKJISGZ-GRYCIOLGSA-N 1 1 329.271 4.298 50 0 EIAAMO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000102510048 564020199 /nfs/dbraw/zinc/02/01/99/564020199.db2.gz GVLDSEQXKJISGZ-GRYCIOLGSA-N 1 1 329.271 4.298 50 0 EIAAMO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)N[C@H](C)c1ccccc1C ZINC000103925405 564023330 /nfs/dbraw/zinc/02/33/30/564023330.db2.gz ZYHCYGGAYWKPTD-QAPCUYQASA-N 1 1 342.508 4.243 50 0 EIAAMO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N[C@H](C)c1ccccc1C ZINC000103925405 564023331 /nfs/dbraw/zinc/02/33/31/564023331.db2.gz ZYHCYGGAYWKPTD-QAPCUYQASA-N 1 1 342.508 4.243 50 0 EIAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccccc1)N[C@H]1CCCc2ccccc21 ZINC000107328731 564026863 /nfs/dbraw/zinc/02/68/63/564026863.db2.gz TXWWDYBOLGTKRI-LEWJYISDSA-N 1 1 334.463 4.017 50 0 EIAAMO Cc1nc([C@@H](C)[N@H+]2CC[C@@]3(CCOC3)C2)oc1-c1ccc(Cl)cc1 ZINC000107524046 564026978 /nfs/dbraw/zinc/02/69/78/564026978.db2.gz GZBBSPDLFBKPEA-AUUYWEPGSA-N 1 1 346.858 4.477 50 0 EIAAMO CCC[C@H](c1ccccn1)[N@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000108144693 564027881 /nfs/dbraw/zinc/02/78/81/564027881.db2.gz AYUFHFUHWHRCBY-YLJYHZDGSA-N 1 1 339.483 4.499 50 0 EIAAMO CCC[C@H](c1ccccn1)[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000108144693 564027882 /nfs/dbraw/zinc/02/78/82/564027882.db2.gz AYUFHFUHWHRCBY-YLJYHZDGSA-N 1 1 339.483 4.499 50 0 EIAAMO C[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc2ccccc2c1 ZINC000008127401 564034743 /nfs/dbraw/zinc/03/47/43/564034743.db2.gz GZODTGLRZFILLW-UHFFFAOYSA-N 1 1 340.373 4.189 50 0 EIAAMO C[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc2ccccc2c1 ZINC000008127401 564034744 /nfs/dbraw/zinc/03/47/44/564034744.db2.gz GZODTGLRZFILLW-UHFFFAOYSA-N 1 1 340.373 4.189 50 0 EIAAMO Cc1ccccc1NC(=O)C[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000012906220 564077829 /nfs/dbraw/zinc/07/78/29/564077829.db2.gz ZVUDUCNDWBZYDT-UHFFFAOYSA-N 1 1 345.446 4.204 50 0 EIAAMO Cc1ccccc1NC(=O)C[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000012906220 564077830 /nfs/dbraw/zinc/07/78/30/564077830.db2.gz ZVUDUCNDWBZYDT-UHFFFAOYSA-N 1 1 345.446 4.204 50 0 EIAAMO Cc1cccc(C)c1OC[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000239539193 564088168 /nfs/dbraw/zinc/08/81/68/564088168.db2.gz AVTOQKCDIIRURG-UXHICEINSA-N 1 1 343.442 4.019 50 0 EIAAMO CCOC(=O)c1c2ccccc2oc1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000064557255 564092201 /nfs/dbraw/zinc/09/22/01/564092201.db2.gz OUDQVAVVTMRPAP-MRXNPFEDSA-N 1 1 338.407 4.275 50 0 EIAAMO CCOC(=O)c1c2ccccc2oc1C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000064557255 564092202 /nfs/dbraw/zinc/09/22/02/564092202.db2.gz OUDQVAVVTMRPAP-MRXNPFEDSA-N 1 1 338.407 4.275 50 0 EIAAMO CSCc1ccc(-c2ccc([C@H](C)[NH+]3CCOCC3)cc2)nc1 ZINC000426658501 564094300 /nfs/dbraw/zinc/09/43/00/564094300.db2.gz QNBPNVWXXZIGMJ-HNNXBMFYSA-N 1 1 328.481 4.005 50 0 EIAAMO Cc1cccc(C[N@@H+](CC(C)C)C[C@H](O)COCc2ccccc2)c1 ZINC000036100378 564096055 /nfs/dbraw/zinc/09/60/55/564096055.db2.gz ZGDWIOIAVVBZFJ-QFIPXVFZSA-N 1 1 341.495 4.031 50 0 EIAAMO Cc1cccc(C[N@@H+](CC(C)C)C[C@H](O)COc2ccccc2C)c1 ZINC000036100403 564096072 /nfs/dbraw/zinc/09/60/72/564096072.db2.gz PIRJCTGMRISONP-NRFANRHFSA-N 1 1 341.495 4.201 50 0 EIAAMO Cc1ccc(C[N@H+](Cc2ccco2)C[C@@H](O)Cc2ccccc2)s1 ZINC000036101080 564096133 /nfs/dbraw/zinc/09/61/33/564096133.db2.gz NJMOBZOAKDRCEP-SFHVURJKSA-N 1 1 341.476 4.255 50 0 EIAAMO CC[C@H](C)[N@H+](Cc1ccccc1C)C[C@@H](O)COCc1ccccc1 ZINC000169679067 564098115 /nfs/dbraw/zinc/09/81/15/564098115.db2.gz XAGKLLZFZIPBBI-SIKLNZKXSA-N 1 1 341.495 4.173 50 0 EIAAMO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000006881353 564100574 /nfs/dbraw/zinc/10/05/74/564100574.db2.gz 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/nfs/dbraw/zinc/11/58/84/564115884.db2.gz LVPZSWCQRJCVDM-UHFFFAOYSA-N 1 1 334.460 4.030 50 0 EIAAMO O=C(C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)Nc1cc(Cl)cc(Cl)c1 ZINC000013068712 564135933 /nfs/dbraw/zinc/13/59/33/564135933.db2.gz ZKECQDSQCJMSJV-QWHCGFSZSA-N 1 1 341.282 4.444 50 0 EIAAMO CC[C@@H]([NH2+]Cc1nccn1Cc1ccccc1)c1ccc2c(c1)CCO2 ZINC000095968682 564143236 /nfs/dbraw/zinc/14/32/36/564143236.db2.gz CTTJZUJIIWYKNM-HXUWFJFHSA-N 1 1 347.462 4.107 50 0 EIAAMO C[C@H]1C[C@H](C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CCO1 ZINC000095988708 564144098 /nfs/dbraw/zinc/14/40/98/564144098.db2.gz LXUSBTLCHVUBAI-DLBZAZTESA-N 1 1 344.499 4.205 50 0 EIAAMO c1ccc([C@@H]2CCc3nc(C[N@@H+]4CCCSCC4)sc3C2)cc1 ZINC000096003598 564144431 /nfs/dbraw/zinc/14/44/31/564144431.db2.gz WEVDSMHHZQZKNC-MRXNPFEDSA-N 1 1 344.549 4.355 50 0 EIAAMO c1ccc([C@@H]2CCc3nc(C[N@H+]4CCCSCC4)sc3C2)cc1 ZINC000096003598 564144432 /nfs/dbraw/zinc/14/44/32/564144432.db2.gz WEVDSMHHZQZKNC-MRXNPFEDSA-N 1 1 344.549 4.355 50 0 EIAAMO 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Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(NCc3ccccn3)c12 ZINC000009422510 211082391 /nfs/dbraw/zinc/08/23/91/211082391.db2.gz MGJMIAQIWUOTTL-UHFFFAOYSA-N 1 1 343.434 4.104 50 0 EIAAMO Cc1c(C)n(Cc2ccncc2)c2nc[nH+]c(NCc3ccccc3)c12 ZINC000009419142 211081152 /nfs/dbraw/zinc/08/11/52/211081152.db2.gz NKQBKUFFNADNNO-UHFFFAOYSA-N 1 1 343.434 4.104 50 0 EIAAMO c1ccc([C@H]([NH2+]Cc2cccc3c2OCCCO3)c2cccnc2)cc1 ZINC000095349668 218283911 /nfs/dbraw/zinc/28/39/11/218283911.db2.gz HHNMXEMGZODEIK-NRFANRHFSA-N 1 1 346.430 4.122 50 0 EIAAMO Cc1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2CSc3ccccc32)c1 ZINC000095398603 218331647 /nfs/dbraw/zinc/33/16/47/218331647.db2.gz TVYJBVSUEMBXJS-GOSISDBHSA-N 1 1 349.459 4.068 50 0 EIAAMO C[C@H](NC1CC[NH+](CCc2ccncc2)CC1)c1cc2ccccc2o1 ZINC000095421525 218362912 /nfs/dbraw/zinc/36/29/12/218362912.db2.gz JHBLWEWLTJIETO-KRWDZBQOSA-N 1 1 349.478 4.186 50 0 EIAAMO C[N@@H+](CCCNC(=O)c1csc2c1CCCCC2)C1CCCCC1 ZINC000005070461 210383342 /nfs/dbraw/zinc/38/33/42/210383342.db2.gz 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258064956 /nfs/dbraw/zinc/06/49/56/258064956.db2.gz CLBVONFBMIZNKH-SFHVURJKSA-N 1 1 337.467 4.042 50 0 EIAAMO Cc1[nH+]ccn1CCN(C)C(=O)Nc1ccc(C2CCCCC2)cc1 ZINC000299758852 258076126 /nfs/dbraw/zinc/07/61/26/258076126.db2.gz QZFGHXQGIKLKNA-UHFFFAOYSA-N 1 1 340.471 4.403 50 0 EIAAMO O=C(NC1(c2ccccc2)CC1)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299759044 258076805 /nfs/dbraw/zinc/07/68/05/258076805.db2.gz MXYQQOMQTREPAA-HBMCJLEFSA-N 1 1 346.474 4.018 50 0 EIAAMO Cc1ccc(C[N@@H+](CCC(C)C)C[C@H](O)COc2ccccc2)s1 ZINC000036101643 524406192 /nfs/dbraw/zinc/40/61/92/524406192.db2.gz NHRLOZDNZUYYRP-SFHVURJKSA-N 1 1 347.524 4.345 50 0 EIAAMO C[N@@H+]1CCO[C@]12CC[C@@H]1[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253612938 536446408 /nfs/dbraw/zinc/44/64/08/536446408.db2.gz CZGMCXMFKOCFDA-IFDAXIGBSA-N 1 1 347.543 4.048 50 0 EIAAMO C[N@H+]1CCO[C@]12CC[C@@H]1[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253612938 536446414 /nfs/dbraw/zinc/44/64/14/536446414.db2.gz CZGMCXMFKOCFDA-IFDAXIGBSA-N 1 1 347.543 4.048 50 0 EIAAMO CC(C)n1cnnc1C1CC[NH+](Cc2cccc(F)c2Cl)CC1 ZINC000195558012 535106965 /nfs/dbraw/zinc/10/69/65/535106965.db2.gz NTRYOKKZLNGAPV-UHFFFAOYSA-N 1 1 336.842 4.031 50 0 EIAAMO CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1(C)C ZINC000229625647 535371937 /nfs/dbraw/zinc/37/19/37/535371937.db2.gz QYUAOULWNVCYBT-MTFMMBMASA-N 1 1 340.511 4.177 50 0 EIAAMO CN(Cc1ccc([C@H]2CCCCO2)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000215032110 536001808 /nfs/dbraw/zinc/00/18/08/536001808.db2.gz HCJSFUZIMOMQKN-HXUWFJFHSA-N 1 1 342.483 4.215 50 0 EIAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cccc(Oc3ccccc3)c2)C1 ZINC000000293755 563274124 /nfs/dbraw/zinc/27/41/24/563274124.db2.gz LWFQOCDKPRJZQE-SFHVURJKSA-N 1 1 339.435 4.254 50 0 EIAAMO CCCCn1c[nH+]c2cc(NCc3nc4ccccc4n3C)ccc21 ZINC000002073199 563421430 /nfs/dbraw/zinc/42/14/30/563421430.db2.gz AQQLOYQOLNJIOG-UHFFFAOYSA-N 1 1 333.439 4.335 50 0 EIAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000002164620 563424731 /nfs/dbraw/zinc/42/47/31/563424731.db2.gz QQWVYTCJSIMTRC-GFCCVEGCSA-N 1 1 344.286 4.379 50 0 EIAAMO O=C(c1cccc(C[NH+]2CCSCC2)c1)c1cc(F)cc(Cl)c1 ZINC000002515304 563436364 /nfs/dbraw/zinc/43/63/64/563436364.db2.gz DGEZMUWQXWUGOG-UHFFFAOYSA-N 1 1 349.858 4.259 50 0 EIAAMO CC(C)Cn1c2ccccc2[nH+]c1NCCCNC(=O)CC(C)(C)C ZINC000034906833 563481286 /nfs/dbraw/zinc/48/12/86/563481286.db2.gz NIIFQEOTZWIYNX-UHFFFAOYSA-N 1 1 344.503 4.047 50 0 EIAAMO Cc1ccccc1NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000071911682 563588287 /nfs/dbraw/zinc/58/82/87/563588287.db2.gz DAPGXQOUCOUGBX-ROUUACIJSA-N 1 1 329.488 4.113 50 0 EIAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc4ccccc4c2)N3)C1 ZINC000006857636 563588992 /nfs/dbraw/zinc/58/89/92/563588992.db2.gz IUINVIYMRNRCMP-SFHVURJKSA-N 1 1 349.459 4.318 50 0 EIAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc4ccccc4c2)N3)C1 ZINC000006857636 563588998 /nfs/dbraw/zinc/58/89/98/563588998.db2.gz IUINVIYMRNRCMP-SFHVURJKSA-N 1 1 349.459 4.318 50 0 EIAAMO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+]1CCc2sccc2[C@@H]1C ZINC000012791824 563671623 /nfs/dbraw/zinc/67/16/23/563671623.db2.gz CGICDSNEXCUKLZ-MELADBBJSA-N 1 1 346.471 4.072 50 0 EIAAMO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+]1CCc2sccc2[C@@H]1C ZINC000012791824 563671625 /nfs/dbraw/zinc/67/16/25/563671625.db2.gz CGICDSNEXCUKLZ-MELADBBJSA-N 1 1 346.471 4.072 50 0 EIAAMO C[C@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)N(C)Cc1ccccc1 ZINC000032754439 563727574 /nfs/dbraw/zinc/72/75/74/563727574.db2.gz RRKJGJPNSHDIRM-MRXNPFEDSA-N 1 1 336.435 4.084 50 0 EIAAMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)N(C)Cc1ccccc1 ZINC000032754439 563727577 /nfs/dbraw/zinc/72/75/77/563727577.db2.gz RRKJGJPNSHDIRM-MRXNPFEDSA-N 1 1 336.435 4.084 50 0 EIAAMO CSc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cnc(C)s3)C2)cc1 ZINC000014951521 563768058 /nfs/dbraw/zinc/76/80/58/563768058.db2.gz ANRSDSQEEIUXHV-OAHLLOKOSA-N 1 1 346.521 4.268 50 0 EIAAMO CSc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cnc(C)s3)C2)cc1 ZINC000014951521 563768061 /nfs/dbraw/zinc/76/80/61/563768061.db2.gz ANRSDSQEEIUXHV-OAHLLOKOSA-N 1 1 346.521 4.268 50 0 EIAAMO CC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(N(CC)C(C)C)cc1 ZINC000015256485 563780754 /nfs/dbraw/zinc/78/07/54/563780754.db2.gz KCCXMAVTDNUQDR-SFHVURJKSA-N 1 1 331.504 4.124 50 0 EIAAMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1cc(Cl)ccc1F ZINC000032925022 563826060 /nfs/dbraw/zinc/82/60/60/563826060.db2.gz HDUJBWCGMUMKAH-UHFFFAOYSA-N 1 1 348.849 4.249 50 0 EIAAMO Cc1cccc(C[N@@H+]2CCCC[C@@H]2c2nc(-c3ccncc3)no2)c1 ZINC000065286099 563845179 /nfs/dbraw/zinc/84/51/79/563845179.db2.gz WXDIQSPDMUFWCB-GOSISDBHSA-N 1 1 334.423 4.167 50 0 EIAAMO Cc1cccc(C[N@H+]2CCCC[C@@H]2c2nc(-c3ccncc3)no2)c1 ZINC000065286099 563845183 /nfs/dbraw/zinc/84/51/83/563845183.db2.gz WXDIQSPDMUFWCB-GOSISDBHSA-N 1 1 334.423 4.167 50 0 EIAAMO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+]1Cc1cccc2ccccc21 ZINC000028074342 563901393 /nfs/dbraw/zinc/90/13/93/563901393.db2.gz FWYDSGLISKZDDH-NRFANRHFSA-N 1 1 330.431 4.443 50 0 EIAAMO C[N@@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1CCc2ccccc21 ZINC000029482268 563906491 /nfs/dbraw/zinc/90/64/91/563906491.db2.gz VHGYWYZOMPSGHF-QGZVFWFLSA-N 1 1 348.368 4.263 50 0 EIAAMO CCc1cccc(CC)c1NC(=O)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000029482832 563906552 /nfs/dbraw/zinc/90/65/52/563906552.db2.gz GWWIUPIZRBBSFT-FQEVSTJZSA-N 1 1 336.479 4.369 50 0 EIAAMO C[N@@H+](CC(=O)Nc1ccc2ccccc2c1)[C@H]1CCc2ccccc21 ZINC000029482975 563906834 /nfs/dbraw/zinc/90/68/34/563906834.db2.gz MNSBBQOFSJMFRT-NRFANRHFSA-N 1 1 330.431 4.398 50 0 EIAAMO COc1ccc2oc(=O)cc(C[N@@H+](C)Cc3ccc(Cl)cc3)c2c1 ZINC000033018699 563914710 /nfs/dbraw/zinc/91/47/10/563914710.db2.gz ZRKIKFUOCWLYMX-UHFFFAOYSA-N 1 1 343.810 4.087 50 0 EIAAMO FC(F)(F)c1ccccc1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000000212548 563917141 /nfs/dbraw/zinc/91/71/41/563917141.db2.gz UCEHXIKITZDDGN-UHFFFAOYSA-N 1 1 348.412 4.460 50 0 EIAAMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)C2CCCCC2)CC1 ZINC000041107563 563924341 /nfs/dbraw/zinc/92/43/41/563924341.db2.gz MEVONDZUVRVPBC-UHFFFAOYSA-N 1 1 349.906 4.001 50 0 EIAAMO C[C@@H]([NH2+]Cc1csc(C(C)(C)C)n1)c1ccc2c(c1)CCC(=O)N2 ZINC000071825226 563924651 /nfs/dbraw/zinc/92/46/51/563924651.db2.gz UTKOINWIWKDJPF-GFCCVEGCSA-N 1 1 343.496 4.176 50 0 EIAAMO CC(C)NC(=O)Nc1ccc(C[NH2+]Cc2csc(C(C)C)n2)cc1 ZINC000058202774 563939785 /nfs/dbraw/zinc/93/97/85/563939785.db2.gz FHQQORNTBSVMOZ-UHFFFAOYSA-N 1 1 346.500 4.086 50 0 EIAAMO C[C@@H]1CCCC[C@H]1OCC[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000058345004 563943232 /nfs/dbraw/zinc/94/32/32/563943232.db2.gz UJBUNJBNRVMAAW-ZIFCJYIRSA-N 1 1 337.529 4.324 50 0 EIAAMO Cc1nc([C@H](C)n2cc[nH+]c2C(C)C)n(-c2cccc3cccnc32)n1 ZINC000063834260 563956098 /nfs/dbraw/zinc/95/60/98/563956098.db2.gz GXOPDLIEXPTBOU-AWEZNQCLSA-N 1 1 346.438 4.053 50 0 EIAAMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000065410298 563960463 /nfs/dbraw/zinc/96/04/63/563960463.db2.gz LMRFCCRAPREINB-KRWDZBQOSA-N 1 1 349.434 4.166 50 0 EIAAMO CCc1ccc2[nH+]c(NC3CCN(C(=O)C(C)C)CC3)cc(C)c2c1 ZINC000065460102 563961112 /nfs/dbraw/zinc/96/11/12/563961112.db2.gz XVJRINVXDJGQRB-UHFFFAOYSA-N 1 1 339.483 4.165 50 0 EIAAMO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cc(=O)oc3c(C)cc(C)cc23)on1 ZINC000065491894 563961468 /nfs/dbraw/zinc/96/14/68/563961468.db2.gz KUQGQZLDZHBINS-KRWDZBQOSA-N 1 1 338.407 4.043 50 0 EIAAMO Cc1cc([C@@H]2CCC[N@H+]2Cc2cc(=O)oc3c(C)cc(C)cc23)on1 ZINC000065491894 563961470 /nfs/dbraw/zinc/96/14/70/563961470.db2.gz KUQGQZLDZHBINS-KRWDZBQOSA-N 1 1 338.407 4.043 50 0 EIAAMO Cc1ccccc1-c1ncc(C[NH2+]Cc2snnc2C(C)C)s1 ZINC000065499247 563961595 /nfs/dbraw/zinc/96/15/95/563961595.db2.gz NINDFZCAOIMMHL-UHFFFAOYSA-N 1 1 344.509 4.383 50 0 EIAAMO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1nc(CCc2ccccc2)no1 ZINC000097165597 563968516 /nfs/dbraw/zinc/96/85/16/563968516.db2.gz WUMJHCRAWFMXRZ-SJORKVTESA-N 1 1 345.512 4.009 50 0 EIAAMO c1ccc2sc([C@@H]3CCC[N@@H+]3Cc3cccc4nonc43)nc2c1 ZINC000077320049 563968922 /nfs/dbraw/zinc/96/89/22/563968922.db2.gz RIGZUVYMMRKONX-HNNXBMFYSA-N 1 1 336.420 4.170 50 0 EIAAMO Cc1c2ccccc2[nH]c1C[N@@H+]1CCCC[C@@H]1CCc1nccn1C ZINC000077322141 563968959 /nfs/dbraw/zinc/96/89/59/563968959.db2.gz JBDJHUWPHOPABY-QGZVFWFLSA-N 1 1 336.483 4.197 50 0 EIAAMO O=C(c1ccc(C[NH+]2CCSCC2)cc1)c1ccc(Cl)cc1F ZINC000085651290 563973880 /nfs/dbraw/zinc/97/38/80/563973880.db2.gz YEOPXTNGVIRQSQ-UHFFFAOYSA-N 1 1 349.858 4.259 50 0 EIAAMO O=C(C[N@@H+]1CC[C@H]2CCCC[C@H]2C1)Nc1cccc(Cl)c1Cl ZINC000247800297 563981679 /nfs/dbraw/zinc/98/16/79/563981679.db2.gz VAACTTPNVPNLFH-OLZOCXBDSA-N 1 1 341.282 4.444 50 0 EIAAMO O=C(C[N@H+]1CC[C@H]2CCCC[C@H]2C1)Nc1cccc(Cl)c1Cl ZINC000247800297 563981680 /nfs/dbraw/zinc/98/16/80/563981680.db2.gz VAACTTPNVPNLFH-OLZOCXBDSA-N 1 1 341.282 4.444 50 0 EIAAMO Cc1cccc(C)c1NC(=S)N1CCC([N@H+](C)CCC(C)C)CC1 ZINC000000261595 563989675 /nfs/dbraw/zinc/98/96/75/563989675.db2.gz MGZOHJXBBVTXFT-UHFFFAOYSA-N 1 1 347.572 4.443 50 0 EIAAMO CC(C)(C)c1nnc(C[NH+]2CCC(c3cc4ccccc4[nH]3)CC2)o1 ZINC000062367260 564004805 /nfs/dbraw/zinc/00/48/05/564004805.db2.gz URYDCHXKEBNFTQ-UHFFFAOYSA-N 1 1 338.455 4.228 50 0 EIAAMO CCc1nc([C@H](C)[N@@H+](C)CC2(O)CCCC2)oc1-c1ccccc1 ZINC000152007116 564004970 /nfs/dbraw/zinc/00/49/70/564004970.db2.gz FBQVSQGVCAJDHE-HNNXBMFYSA-N 1 1 328.456 4.202 50 0 EIAAMO Cc1noc(C)c1C[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000272851757 564007510 /nfs/dbraw/zinc/00/75/10/564007510.db2.gz OTDYHCUBBLTLRO-LJQANCHMSA-N 1 1 341.842 4.413 50 0 EIAAMO C[C@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(F)cc1 ZINC000000213910 564012214 /nfs/dbraw/zinc/01/22/14/564012214.db2.gz DGWITJVKJIVNMH-KRWDZBQOSA-N 1 1 326.459 4.183 50 0 EIAAMO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000105934387 564025351 /nfs/dbraw/zinc/02/53/51/564025351.db2.gz UIQMSGQVYZXARC-GVDBMIGSSA-N 1 1 332.513 4.066 50 0 EIAAMO CC(C)CC[N@H+](Cc1nc2c3ccccc3oc2c(=O)[nH]1)C1CC1 ZINC000045751815 564028639 /nfs/dbraw/zinc/02/86/39/564028639.db2.gz BHBJPWYVJLMMRQ-UHFFFAOYSA-N 1 1 325.412 4.092 50 0 EIAAMO CC(C)CC[N@@H+](Cc1nc2c3ccccc3oc2c(=O)[nH]1)C1CC1 ZINC000045751815 564028640 /nfs/dbraw/zinc/02/86/40/564028640.db2.gz BHBJPWYVJLMMRQ-UHFFFAOYSA-N 1 1 325.412 4.092 50 0 EIAAMO O=C(CC[N@H+]1CCC[C@H]1c1ccsc1)Nc1ccc2c(c1)CCC2 ZINC000048263559 564030341 /nfs/dbraw/zinc/03/03/41/564030341.db2.gz WIXAJBQJHPVRTD-IBGZPJMESA-N 1 1 340.492 4.403 50 0 EIAAMO Cc1csc(C2([NH2+]CC(=O)Nc3cc(C)ccc3C)CCCC2)n1 ZINC000081608052 564034097 /nfs/dbraw/zinc/03/40/97/564034097.db2.gz MLRWBGHKCPCDPS-UHFFFAOYSA-N 1 1 343.496 4.066 50 0 EIAAMO Cc1ccccc1NC(=O)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000058163348 564035573 /nfs/dbraw/zinc/03/55/73/564035573.db2.gz KJGRWEPVUYIWDO-UHFFFAOYSA-N 1 1 330.431 4.313 50 0 EIAAMO C[N@@H+]1CCO[C@@]12CC[C@@H]1[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000248008797 564052906 /nfs/dbraw/zinc/05/29/06/564052906.db2.gz CZGMCXMFKOCFDA-FEIBYLFLSA-N 1 1 347.543 4.048 50 0 EIAAMO C[N@H+]1CCO[C@@]12CC[C@@H]1[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000248008797 564052907 /nfs/dbraw/zinc/05/29/07/564052907.db2.gz CZGMCXMFKOCFDA-FEIBYLFLSA-N 1 1 347.543 4.048 50 0 EIAAMO Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@@H]2Cc2ccccc2)c(C)c1 ZINC000025439526 564054389 /nfs/dbraw/zinc/05/43/89/564054389.db2.gz SFWPHDJFEPINOG-HXUWFJFHSA-N 1 1 336.479 4.257 50 0 EIAAMO CC(=O)c1c(F)cccc1NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000063254750 564056874 /nfs/dbraw/zinc/05/68/74/564056874.db2.gz PAMJAENVXZATGM-UHFFFAOYSA-N 1 1 341.361 4.274 50 0 EIAAMO COc1ccc(-c2nnc(C[N@H+]3CCC[C@H]3c3ccccc3)o2)cc1 ZINC000083952371 564065062 /nfs/dbraw/zinc/06/50/62/564065062.db2.gz GLEQIANVIWZKDF-SFHVURJKSA-N 1 1 335.407 4.082 50 0 EIAAMO C[NH+](C)[C@@H](CNC(=O)c1ccccc1Cl)c1ccccc1Cl ZINC000012765398 564067959 /nfs/dbraw/zinc/06/79/59/564067959.db2.gz JDBKYGMUPQZTRF-INIZCTEOSA-N 1 1 337.250 4.026 50 0 EIAAMO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccccc3C)no2)cc1 ZINC000012911365 564077950 /nfs/dbraw/zinc/07/79/50/564077950.db2.gz XMVDIDQLAZHLKV-LJQANCHMSA-N 1 1 349.434 4.391 50 0 EIAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3ccccc3C)no2)cc1 ZINC000012911365 564077951 /nfs/dbraw/zinc/07/79/51/564077951.db2.gz XMVDIDQLAZHLKV-LJQANCHMSA-N 1 1 349.434 4.391 50 0 EIAAMO Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 ZINC000012930688 564078745 /nfs/dbraw/zinc/07/87/45/564078745.db2.gz HKVMECSBZKQILW-FOIQADDNSA-N 1 1 340.442 4.113 50 0 EIAAMO COc1ccc(C[N@H+](Cc2cn3cc(Cl)ccc3n2)C2CC2)cc1 ZINC000016355047 564082261 /nfs/dbraw/zinc/08/22/61/564082261.db2.gz XZLOHIFCTGILNH-UHFFFAOYSA-N 1 1 341.842 4.161 50 0 EIAAMO COc1ccc(C[N@@H+](Cc2cn3cc(Cl)ccc3n2)C2CC2)cc1 ZINC000016355047 564082262 /nfs/dbraw/zinc/08/22/62/564082262.db2.gz XZLOHIFCTGILNH-UHFFFAOYSA-N 1 1 341.842 4.161 50 0 EIAAMO Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2ccn(C3CCCC3)n2)cc1 ZINC000090547186 564084660 /nfs/dbraw/zinc/08/46/60/564084660.db2.gz KZIWOMTWDCZWHD-INIZCTEOSA-N 1 1 349.482 4.343 50 0 EIAAMO Cc1ccc(C[N@@H+](CC(C)C)C[C@H](O)COCc2ccccc2)s1 ZINC000036100931 564096125 /nfs/dbraw/zinc/09/61/25/564096125.db2.gz PMLMEUIFXRGTIW-IBGZPJMESA-N 1 1 347.524 4.092 50 0 EIAAMO CC[C@@H](C)[N@H+](Cc1ccccc1C)C[C@@H](O)COCc1ccccc1 ZINC000169679066 564098101 /nfs/dbraw/zinc/09/81/01/564098101.db2.gz XAGKLLZFZIPBBI-DENIHFKCSA-N 1 1 341.495 4.173 50 0 EIAAMO CC[C@@H](C)[N@H+](Cc1ccc(C)s1)C[C@@H](O)COc1ccccc1 ZINC000169678012 564098172 /nfs/dbraw/zinc/09/81/72/564098172.db2.gz BCEFFUNBHPCBGO-NVXWUHKLSA-N 1 1 333.497 4.097 50 0 EIAAMO Fc1cccc(C[N@H+]2CCCn3nc(-c4cccc(F)c4)cc3C2)c1 ZINC000065270449 564103815 /nfs/dbraw/zinc/10/38/15/564103815.db2.gz FIMNMEPIQIDVSC-UHFFFAOYSA-N 1 1 339.389 4.234 50 0 EIAAMO Fc1cccc(C[N@@H+]2CCCn3nc(-c4cccc(F)c4)cc3C2)c1 ZINC000065270449 564103816 /nfs/dbraw/zinc/10/38/16/564103816.db2.gz FIMNMEPIQIDVSC-UHFFFAOYSA-N 1 1 339.389 4.234 50 0 EIAAMO Cc1cccc(C[N@@H+]2CCCC[C@H]2c2nc(-c3cccnc3)no2)c1 ZINC000065286075 564104325 /nfs/dbraw/zinc/10/43/25/564104325.db2.gz GMDQTTJYHHSZFV-SFHVURJKSA-N 1 1 334.423 4.167 50 0 EIAAMO Cc1cccc(C[N@H+]2CCCC[C@H]2c2nc(-c3cccnc3)no2)c1 ZINC000065286075 564104326 /nfs/dbraw/zinc/10/43/26/564104326.db2.gz GMDQTTJYHHSZFV-SFHVURJKSA-N 1 1 334.423 4.167 50 0 EIAAMO CCCn1c(C[NH+]2CCCC2)nc2cc(NC(=O)CC(C)C)ccc21 ZINC000065322475 564105275 /nfs/dbraw/zinc/10/52/75/564105275.db2.gz CFPTUZHXWRHDNH-UHFFFAOYSA-N 1 1 342.487 4.027 50 0 EIAAMO C[N@@H+](CCCn1c2ccccc2oc1=O)Cc1ccc2ccccc2c1 ZINC000065500393 564106569 /nfs/dbraw/zinc/10/65/69/564106569.db2.gz OXUFKBPPCQZWPZ-UHFFFAOYSA-N 1 1 346.430 4.270 50 0 EIAAMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000170601624 564109332 /nfs/dbraw/zinc/10/93/32/564109332.db2.gz AZNDSWXVZQQKBH-OXJNMPFZSA-N 1 1 346.434 4.247 50 0 EIAAMO CC[C@H](C)C[N@@H+](C)Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000170625047 564110390 /nfs/dbraw/zinc/11/03/90/564110390.db2.gz BZFZSTHBWTXYTB-ZDUSSCGKSA-N 1 1 341.480 4.130 50 0 EIAAMO CC(C)c1nc(C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)cs1 ZINC000071819606 564111237 /nfs/dbraw/zinc/11/12/37/564111237.db2.gz LAHUIJYGVVCZPU-LBPRGKRZSA-N 1 1 329.469 4.002 50 0 EIAAMO CCOC(=O)c1c(C[N@@H+](C)[C@@H]2CCC[C@@H]2SC)oc2ccccc21 ZINC000076089746 564115617 /nfs/dbraw/zinc/11/56/17/564115617.db2.gz HCEUSORQMVIKQK-PBHICJAKSA-N 1 1 347.480 4.325 50 0 EIAAMO Cc1cc(C(C)(C)C)ccc1OCCOCC[N@@H+]1CCC[C@@H](C)C1 ZINC000002823941 564117015 /nfs/dbraw/zinc/11/70/15/564117015.db2.gz ROWMGARRALLJRX-QGZVFWFLSA-N 1 1 333.516 4.420 50 0 EIAAMO O[C@@H](C[C@H]1CCCCC[N@@H+]1Cc1ncc(C2CC2)o1)c1ccco1 ZINC000253416130 564130743 /nfs/dbraw/zinc/13/07/43/564130743.db2.gz WJVHRCCVMUSQPT-CVEARBPZSA-N 1 1 330.428 4.013 50 0 EIAAMO O[C@@H](C[C@H]1CCCCC[N@H+]1Cc1ncc(C2CC2)o1)c1ccco1 ZINC000253416130 564130744 /nfs/dbraw/zinc/13/07/44/564130744.db2.gz WJVHRCCVMUSQPT-CVEARBPZSA-N 1 1 330.428 4.013 50 0 EIAAMO CN1c2ccccc2C(=C[NH2+]N(c2ccccc2)c2ccccc2)C1=O ZINC000012559937 564135297 /nfs/dbraw/zinc/13/52/97/564135297.db2.gz LZPKZHUPALDIEX-CAPFRKAQSA-N 1 1 341.414 4.347 50 0 EIAAMO O=C(C[N@H+]1CC[C@H]2CCCC[C@@H]2C1)Nc1cc(Cl)cc(Cl)c1 ZINC000013068714 564135940 /nfs/dbraw/zinc/13/59/40/564135940.db2.gz ZKECQDSQCJMSJV-CHWSQXEVSA-N 1 1 341.282 4.444 50 0 EIAAMO COC[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1cccc(C(F)(F)F)c1 ZINC000095968162 564143137 /nfs/dbraw/zinc/14/31/37/564143137.db2.gz CZPSIDRYUDOPTP-MEDUHNTESA-N 1 1 342.336 4.278 50 0 EIAAMO CC[C@H]([NH2+][C@H](C(=O)NC1CC1)c1ccccc1)c1ccc(Cl)cc1 ZINC000057553894 564154943 /nfs/dbraw/zinc/15/49/43/564154943.db2.gz XCIZRECISWQTFH-OALUTQOASA-N 1 1 342.870 4.401 50 0 EIAAMO Cc1ccc(-c2nc(C[NH+]3CCC(c4cc[nH]n4)CC3)co2)c(C)c1 ZINC000058208463 564158077 /nfs/dbraw/zinc/15/80/77/564158077.db2.gz CRJSOMKJWGNESX-UHFFFAOYSA-N 1 1 336.439 4.061 50 0 EIAAMO C[N@H+](CC(=O)Nc1ccc(F)c(F)c1)Cc1ccc2ccccc2c1 ZINC000008127378 564162851 /nfs/dbraw/zinc/16/28/51/564162851.db2.gz XCQFLBHMSZSDJB-UHFFFAOYSA-N 1 1 340.373 4.189 50 0 EIAAMO C[N@@H+](CC(=O)Nc1ccc(F)c(F)c1)Cc1ccc2ccccc2c1 ZINC000008127378 564162852 /nfs/dbraw/zinc/16/28/52/564162852.db2.gz XCQFLBHMSZSDJB-UHFFFAOYSA-N 1 1 340.373 4.189 50 0 EIAAMO O=C(C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1)Nc1ccc(Cl)cc1Cl ZINC000008267714 564163912 /nfs/dbraw/zinc/16/39/12/564163912.db2.gz SLRLKULDMBMYPI-CHWSQXEVSA-N 1 1 341.282 4.444 50 0 EIAAMO O=C(C[N@H+]1CC[C@H]2CCCC[C@@H]2C1)Nc1ccc(Cl)cc1Cl ZINC000008267714 564163913 /nfs/dbraw/zinc/16/39/13/564163913.db2.gz SLRLKULDMBMYPI-CHWSQXEVSA-N 1 1 341.282 4.444 50 0 EIAAMO O=C(C[N@H+]1CC[C@H]2CCCC[C@H]2C1)Nc1cc(Cl)cc(Cl)c1 ZINC000245237852 564168816 /nfs/dbraw/zinc/16/88/16/564168816.db2.gz ZKECQDSQCJMSJV-OLZOCXBDSA-N 1 1 341.282 4.444 50 0 EIAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccsc1)N1CCC[C@H]2CCCC[C@H]21 ZINC000106075172 568417708 /nfs/dbraw/zinc/41/77/08/568417708.db2.gz GDZVJUURFDGLOS-KBAYOESNSA-N 1 1 332.513 4.066 50 0 EIAAMO Cc1ccc(C[N@H+]2CCCCCCNC(=O)C[C@@H]2c2ccccc2)o1 ZINC000257191998 1022755356 /nfs/dbraw/zinc/75/53/56/1022755356.db2.gz QDKNNVRXOXJJBU-HXUWFJFHSA-N 1 1 340.467 4.212 50 0 EIAAMO C[N@H+]1CCC[C@@H]1CCn1ccc(-c2cccc(-c3cccnc3)c2)n1 ZINC000019794884 1023643734 /nfs/dbraw/zinc/64/37/34/1023643734.db2.gz LUSSMHQVVDUVTQ-HXUWFJFHSA-N 1 1 332.451 4.096 50 0 EIAAMO 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Cc1ncsc1CC[N@H+](C)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000095399428 218332887 /nfs/dbraw/zinc/33/28/87/218332887.db2.gz HJCDCQXVHXAZCQ-IBGZPJMESA-N 1 1 341.455 4.250 50 0 EIAAMO C[C@@H]([NH2+][C@H](c1ccco1)c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000095419551 218359821 /nfs/dbraw/zinc/35/98/21/218359821.db2.gz VKEZCWVNJAYVBW-IERDGZPVSA-N 1 1 344.418 4.301 50 0 EIAAMO c1nc2n(n1)CCC[C@@H]2[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC000095436114 218378632 /nfs/dbraw/zinc/37/86/32/218378632.db2.gz LTNZMVNSUGXBBS-SFHVURJKSA-N 1 1 336.464 4.054 50 0 EIAAMO CCC[C@@H](c1ccccn1)[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000095446767 218390684 /nfs/dbraw/zinc/39/06/84/218390684.db2.gz AYUFHFUHWHRCBY-PXNSSMCTSA-N 1 1 339.483 4.499 50 0 EIAAMO CCC[C@@H](c1ccccn1)[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000095446767 218390687 /nfs/dbraw/zinc/39/06/87/218390687.db2.gz AYUFHFUHWHRCBY-PXNSSMCTSA-N 1 1 339.483 4.499 50 0 EIAAMO COc1ccc(C[N@H+]2CCCC[C@@H]2c2cccnc2)c(OC)c1C ZINC000004982442 210347835 /nfs/dbraw/zinc/34/78/35/210347835.db2.gz VJGNWMYULLZXJF-GOSISDBHSA-N 1 1 326.440 4.134 50 0 EIAAMO c1[nH+]c(C2CCCCC2)n2c1C[C@@H](c1nc(-c3ccncc3)no1)CC2 ZINC000328587257 258045945 /nfs/dbraw/zinc/04/59/45/258045945.db2.gz QHWRZMRAGIYEBT-INIZCTEOSA-N 1 1 349.438 4.106 50 0 EIAAMO CC(C)(C)Cc1nc([C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)no1 ZINC000299790418 258096303 /nfs/dbraw/zinc/09/63/03/258096303.db2.gz BLKAPJRQYABBAR-BBWFWOEESA-N 1 1 325.456 4.351 50 0 EIAAMO COc1cc(C)c(C[NH2+][C@@H](C)c2csc(C3CC3)n2)cc1OC ZINC000089570336 258065897 /nfs/dbraw/zinc/06/58/97/258065897.db2.gz QEEXCXXOLRPDSB-LBPRGKRZSA-N 1 1 332.469 4.197 50 0 EIAAMO CSc1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000055543175 132195874 /nfs/dbraw/zinc/19/58/74/132195874.db2.gz SVUDWAOQQQNFTE-UHFFFAOYSA-N 1 1 332.900 4.384 50 0 EIAAMO Cc1ccc(C[N@@H+](CCC(C)C)C[C@H](O)COC(C)(C)C)s1 ZINC000036101676 524405362 /nfs/dbraw/zinc/40/53/62/524405362.db2.gz PXGKVMFIJDEZIJ-INIZCTEOSA-N 1 1 327.534 4.081 50 0 EIAAMO Cc1c(Cl)cccc1NC(=S)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000252457299 525777922 /nfs/dbraw/zinc/77/79/22/525777922.db2.gz WESHCXQQFSZURC-OLZOCXBDSA-N 1 1 339.936 4.198 50 0 EIAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000002164618 563424773 /nfs/dbraw/zinc/42/47/73/563424773.db2.gz QQWVYTCJSIMTRC-LBPRGKRZSA-N 1 1 344.286 4.379 50 0 EIAAMO CCOC(=O)CCCCCCC(=O)c1cccc(C[NH+]2CC=CC2)c1 ZINC000002515432 563436699 /nfs/dbraw/zinc/43/66/99/563436699.db2.gz WUXCROYQIJAEIL-UHFFFAOYSA-N 1 1 343.467 4.145 50 0 EIAAMO c1ccc(Oc2cccc(C[NH+]3CCN(c4ccccn4)CC3)c2)cc1 ZINC000004977645 563516627 /nfs/dbraw/zinc/51/66/27/563516627.db2.gz SHSUSFFGWQNNFQ-UHFFFAOYSA-N 1 1 345.446 4.196 50 0 EIAAMO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3sccc3C)C2)c(F)c1 ZINC000012714272 563668939 /nfs/dbraw/zinc/66/89/39/563668939.db2.gz UEROROQIZAVJSB-OAHLLOKOSA-N 1 1 347.455 4.299 50 0 EIAAMO COc1ccc(C[N@H+]2CCC[C@@H](C(=O)c3sccc3C)C2)c(F)c1 ZINC000012714272 563668943 /nfs/dbraw/zinc/66/89/43/563668943.db2.gz UEROROQIZAVJSB-OAHLLOKOSA-N 1 1 347.455 4.299 50 0 EIAAMO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)N[C@@H](C)c1ccccc1C ZINC000012982551 563681608 /nfs/dbraw/zinc/68/16/08/563681608.db2.gz ZYHCYGGAYWKPTD-YJBOKZPZSA-N 1 1 342.508 4.243 50 0 EIAAMO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N[C@@H](C)c1ccccc1C ZINC000012982551 563681611 /nfs/dbraw/zinc/68/16/11/563681611.db2.gz ZYHCYGGAYWKPTD-YJBOKZPZSA-N 1 1 342.508 4.243 50 0 EIAAMO C[C@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)Nc1ccc(F)c(F)c1 ZINC000032754451 563727599 /nfs/dbraw/zinc/72/75/99/563727599.db2.gz IYMNVDXTKBOHRE-GFCCVEGCSA-N 1 1 344.361 4.343 50 0 EIAAMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)Nc1ccc(F)c(F)c1 ZINC000032754451 563727601 /nfs/dbraw/zinc/72/76/01/563727601.db2.gz IYMNVDXTKBOHRE-GFCCVEGCSA-N 1 1 344.361 4.343 50 0 EIAAMO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000032777635 563728860 /nfs/dbraw/zinc/72/88/60/563728860.db2.gz QLLGRFSREQQRPP-FHLIZLRMSA-N 1 1 334.891 4.172 50 0 EIAAMO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000032777635 563728861 /nfs/dbraw/zinc/72/88/61/563728861.db2.gz QLLGRFSREQQRPP-FHLIZLRMSA-N 1 1 334.891 4.172 50 0 EIAAMO CCSCC[C@H](C)[N@@H+](C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072305340 563914567 /nfs/dbraw/zinc/91/45/67/563914567.db2.gz VSPYRXCJWRUCSS-HNNXBMFYSA-N 1 1 344.565 4.097 50 0 EIAAMO CC1=C(CC[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C(C)(C)CCC1 ZINC000022023244 563918413 /nfs/dbraw/zinc/91/84/13/563918413.db2.gz TWFDXIWDJAWJAK-MSOLQXFVSA-N 1 1 340.511 4.184 50 0 EIAAMO CCCCc1cc(=O)[nH]c(-c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)n1 ZINC000048441271 563930490 /nfs/dbraw/zinc/93/04/90/563930490.db2.gz DGHDQSCGOAHSQJ-INIZCTEOSA-N 1 1 339.483 4.011 50 0 EIAAMO O=C(CC[N@H+]1CC[C@H](c2ccccc2)C1)Nc1ccccc1Cl ZINC000058394250 563944875 /nfs/dbraw/zinc/94/48/75/563944875.db2.gz SIJOSOHXFQZGOU-INIZCTEOSA-N 1 1 328.843 4.158 50 0 EIAAMO CN(C(=O)c1cccc2ccccc21)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000060106926 563949661 /nfs/dbraw/zinc/94/96/61/563949661.db2.gz IOZFSRPRHQEEJI-IBGZPJMESA-N 1 1 336.479 4.319 50 0 EIAAMO Clc1ccc(-c2csc(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)n2)cc1 ZINC000096484319 563955365 /nfs/dbraw/zinc/95/53/65/563955365.db2.gz FKLACJKOWPDBLI-HZPDHXFCSA-N 1 1 347.915 4.180 50 0 EIAAMO O=C(NCC1=CCC[N@@H+](CCC2CCCCC2)C1)c1ccccc1 ZINC000065393931 563959549 /nfs/dbraw/zinc/95/95/49/563959549.db2.gz ZDBPQXRRNTWSDC-UHFFFAOYSA-N 1 1 326.484 4.019 50 0 EIAAMO C/C(=C\c1ccccc1)C[N@H+]1CCC[C@H]1c1nc(-c2ccncc2)no1 ZINC000065398391 563959805 /nfs/dbraw/zinc/95/98/05/563959805.db2.gz WWKWHUZDWBTERO-IDCODDLRSA-N 1 1 346.434 4.372 50 0 EIAAMO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3c3ccccn3)c(C)o2)cc1 ZINC000072161149 563966344 /nfs/dbraw/zinc/96/63/44/563966344.db2.gz GNLHYIGCLUNMSU-FQEVSTJZSA-N 1 1 349.434 4.391 50 0 EIAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@H]3c3ccccn3)c(C)o2)cc1 ZINC000072161149 563966345 /nfs/dbraw/zinc/96/63/45/563966345.db2.gz GNLHYIGCLUNMSU-FQEVSTJZSA-N 1 1 349.434 4.391 50 0 EIAAMO C[C@H](C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1cccs1 ZINC000097165433 563968500 /nfs/dbraw/zinc/96/85/00/563968500.db2.gz SHJOXLLHZVOLMF-OXJNMPFZSA-N 1 1 342.508 4.023 50 0 EIAAMO Cc1[nH+]ccn1C[C@@H]1CCCN(c2nc3ccc(C)cc3s2)C1 ZINC000077392793 563969361 /nfs/dbraw/zinc/96/93/61/563969361.db2.gz LXZGCGOFMANZLF-HNNXBMFYSA-N 1 1 326.469 4.026 50 0 EIAAMO Clc1cncc(Cl)c1C[N@@H+]1CCCC[C@H]1CCn1cccn1 ZINC000077407230 563969458 /nfs/dbraw/zinc/96/94/58/563969458.db2.gz GGQKXUHQXMKCGM-ZDUSSCGKSA-N 1 1 339.270 4.030 50 0 EIAAMO Clc1cncc(Cl)c1C[N@H+]1CCCC[C@H]1CCn1cccn1 ZINC000077407230 563969459 /nfs/dbraw/zinc/96/94/59/563969459.db2.gz GGQKXUHQXMKCGM-ZDUSSCGKSA-N 1 1 339.270 4.030 50 0 EIAAMO O=C(C[N@@H+]1CC[C@H]2CCCC[C@H]2C1)Nc1ccc(Cl)cc1Cl ZINC000247425834 563973822 /nfs/dbraw/zinc/97/38/22/563973822.db2.gz SLRLKULDMBMYPI-OLZOCXBDSA-N 1 1 341.282 4.444 50 0 EIAAMO O=C(C[N@H+]1CC[C@H]2CCCC[C@H]2C1)Nc1ccc(Cl)cc1Cl ZINC000247425834 563973823 /nfs/dbraw/zinc/97/38/23/563973823.db2.gz SLRLKULDMBMYPI-OLZOCXBDSA-N 1 1 341.282 4.444 50 0 EIAAMO O=C(c1ccc(C[NH+]2CCSCC2)cc1)c1ccc(F)c(Cl)c1 ZINC000085651274 563973874 /nfs/dbraw/zinc/97/38/74/563973874.db2.gz GXBCOVJBDSQUHA-UHFFFAOYSA-N 1 1 349.858 4.259 50 0 EIAAMO C[N@@H+]1CCN(C(=O)Nc2cccc3ccccc32)[C@@H](c2ccccc2)C1 ZINC000085468165 563986358 /nfs/dbraw/zinc/98/63/58/563986358.db2.gz FPIAYDOOQSMISZ-OAQYLSRUSA-N 1 1 345.446 4.360 50 0 EIAAMO C[N@H+]1CCN(C(=O)Nc2cccc3ccccc32)[C@@H](c2ccccc2)C1 ZINC000085468165 563986359 /nfs/dbraw/zinc/98/63/59/563986359.db2.gz FPIAYDOOQSMISZ-OAQYLSRUSA-N 1 1 345.446 4.360 50 0 EIAAMO C[C@H](NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1cncc(F)c1 ZINC000248149333 563995323 /nfs/dbraw/zinc/99/53/23/563995323.db2.gz QNWGPYRIGBWJJF-PMUMKWKESA-N 1 1 333.476 4.016 50 0 EIAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)COCCC12CC3CC(CC(C3)C1)C2 ZINC000005446861 564004136 /nfs/dbraw/zinc/00/41/36/564004136.db2.gz LECIWVMMBWBHEY-PXXWCDJASA-N 1 1 349.559 4.233 50 0 EIAAMO CC(C)CN(C)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000062399548 564004915 /nfs/dbraw/zinc/00/49/15/564004915.db2.gz LXPJNMNTNQPWLK-UHFFFAOYSA-N 1 1 328.460 4.175 50 0 EIAAMO C[C@H](O)C[N@@H+](C)CC/C=C1\c2ccccc2CSc2ccccc21 ZINC000104973528 564024465 /nfs/dbraw/zinc/02/44/65/564024465.db2.gz RZTBVIDBPCDVPL-ZVCOJXFSSA-N 1 1 339.504 4.427 50 0 EIAAMO Cc1ccc(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000044877178 564027273 /nfs/dbraw/zinc/02/72/73/564027273.db2.gz QXRSMEXAGMHOIU-GOSISDBHSA-N 1 1 336.479 4.157 50 0 EIAAMO CC[N@@H+]1CC[C@H](NCc2ccc(-c3nc4ccccc4[nH]3)cc2)[C@@H](C)C1 ZINC000221897042 564036592 /nfs/dbraw/zinc/03/65/92/564036592.db2.gz JKNMKSPSELCWLY-LPHOPBHVSA-N 1 1 348.494 4.050 50 0 EIAAMO CC[N@H+]1CC[C@H](NCc2ccc(-c3nc4ccccc4[nH]3)cc2)[C@@H](C)C1 ZINC000221897042 564036593 /nfs/dbraw/zinc/03/65/93/564036593.db2.gz JKNMKSPSELCWLY-LPHOPBHVSA-N 1 1 348.494 4.050 50 0 EIAAMO CCN1CC[C@H]([NH2+]Cc2ccc(-c3nc4ccccc4[nH]3)cc2)[C@@H](C)C1 ZINC000221897042 564036594 /nfs/dbraw/zinc/03/65/94/564036594.db2.gz JKNMKSPSELCWLY-LPHOPBHVSA-N 1 1 348.494 4.050 50 0 EIAAMO CC[NH+](CC)CCNCc1cn(Cc2cccc(C)c2)c2ccccc12 ZINC000247876469 564052788 /nfs/dbraw/zinc/05/27/88/564052788.db2.gz AOOQBALUERVKSG-UHFFFAOYSA-N 1 1 349.522 4.429 50 0 EIAAMO CC(C)C[C@@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccs1 ZINC000075314091 564081826 /nfs/dbraw/zinc/08/18/26/564081826.db2.gz PNCKIKRPDOMCKT-NPYXIHBLSA-N 1 1 349.544 4.150 50 0 EIAAMO C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@H](C)C1 ZINC000102422812 564084247 /nfs/dbraw/zinc/08/42/47/564084247.db2.gz RIAHUMHFOFRFFL-ZWKOTPCHSA-N 1 1 336.479 4.013 50 0 EIAAMO CSc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cc(C)ccc2C)cc1 ZINC000013017472 564086838 /nfs/dbraw/zinc/08/68/38/564086838.db2.gz PUKLZJYNCDERNH-MRXNPFEDSA-N 1 1 342.508 4.484 50 0 EIAAMO CSc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cc(C)ccc2C)cc1 ZINC000013017472 564086839 /nfs/dbraw/zinc/08/68/39/564086839.db2.gz PUKLZJYNCDERNH-MRXNPFEDSA-N 1 1 342.508 4.484 50 0 EIAAMO COc1cccc(-c2nc(C[N@H+]3CCC[C@@H]3C(C)C)cs2)c1OC ZINC000064517505 564091974 /nfs/dbraw/zinc/09/19/74/564091974.db2.gz MUXWMYIHJYSHML-MRXNPFEDSA-N 1 1 346.496 4.448 50 0 EIAAMO COc1cccc(OCCC[N@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC000006624524 564094612 /nfs/dbraw/zinc/09/46/12/564094612.db2.gz BIJAOTQPTHIZPE-FQEVSTJZSA-N 1 1 326.440 4.086 50 0 biogenic EIAAMO COc1ccccc1OCCC[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000006624650 564094630 /nfs/dbraw/zinc/09/46/30/564094630.db2.gz ADUGBERARZJNJN-SFHVURJKSA-N 1 1 326.440 4.086 50 0 biogenic EIAAMO CC[C@H](C)[N@H+](Cc1cccc(C)c1)C[C@@H](O)COc1ccccc1C ZINC000169681686 564098229 /nfs/dbraw/zinc/09/82/29/564098229.db2.gz CYEWWCOQGVJLTK-PZJWPPBQSA-N 1 1 341.495 4.344 50 0 EIAAMO CN(C)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000006871449 564100207 /nfs/dbraw/zinc/10/02/07/564100207.db2.gz OEPHPGVCRCNTIT-UHFFFAOYSA-N 1 1 332.382 4.293 50 0 EIAAMO CC[C@H]1c2ccsc2CC[N@@H+]1CCCn1c(=O)oc2ccccc21 ZINC000065592127 564107997 /nfs/dbraw/zinc/10/79/97/564107997.db2.gz HXNKWYVGTBECBT-HNNXBMFYSA-N 1 1 342.464 4.056 50 0 EIAAMO CCC[N@@H+](Cc1ccc2ncccc2c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000170591375 564108796 /nfs/dbraw/zinc/10/87/96/564108796.db2.gz LAVSSFRRWSDJNX-KRWDZBQOSA-N 1 1 347.462 4.474 50 0 EIAAMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000065739922 564110342 /nfs/dbraw/zinc/11/03/42/564110342.db2.gz CLCCYRUXPSFJJK-UHFFFAOYSA-N 1 1 349.478 4.013 50 0 EIAAMO O=C(c1cc2ccccc2o1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000071820058 564111249 /nfs/dbraw/zinc/11/12/49/564111249.db2.gz BTEFBNFJDKBVCL-UHFFFAOYSA-N 1 1 340.467 4.161 50 0 EIAAMO CC(C)(C)c1nc(C[NH2+]Cc2cc(F)cc3cccnc32)cs1 ZINC000089725262 564113362 /nfs/dbraw/zinc/11/33/62/564113362.db2.gz FNEMQTWKNFXHPS-UHFFFAOYSA-N 1 1 329.444 4.418 50 0 EIAAMO C[C@@H]1CCC[N@@H+](CCCCOc2cccc(Br)c2)C1 ZINC000002822894 564116997 /nfs/dbraw/zinc/11/69/97/564116997.db2.gz VDONTZRAAXPZEC-CQSZACIVSA-N 1 1 326.278 4.340 50 0 EIAAMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cc(Cl)cs1 ZINC000194429704 564120511 /nfs/dbraw/zinc/12/05/11/564120511.db2.gz SXRANUOJLBQLQR-YBTHPKLGSA-N 1 1 327.902 4.332 50 0 EIAAMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cc(Cl)cs1 ZINC000194429704 564120512 /nfs/dbraw/zinc/12/05/12/564120512.db2.gz SXRANUOJLBQLQR-YBTHPKLGSA-N 1 1 327.902 4.332 50 0 EIAAMO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccs1 ZINC000007661587 564121739 /nfs/dbraw/zinc/12/17/39/564121739.db2.gz XEJDEOOBDFEXDK-UHFFFAOYSA-N 1 1 342.386 4.228 50 0 EIAAMO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccs1 ZINC000007661587 564121740 /nfs/dbraw/zinc/12/17/40/564121740.db2.gz XEJDEOOBDFEXDK-UHFFFAOYSA-N 1 1 342.386 4.228 50 0 EIAAMO Cc1ccc(C[N@H+](Cc2nnc([C@H]3CCCOC3)o2)C(C)(C)C)cc1 ZINC000585123492 564134001 /nfs/dbraw/zinc/13/40/01/564134001.db2.gz RHXOWVQIUAMIRX-KRWDZBQOSA-N 1 1 343.471 4.073 50 0 EIAAMO Cc1ccc(C[N@@H+](Cc2nnc([C@H]3CCCOC3)o2)C(C)(C)C)cc1 ZINC000585123492 564134002 /nfs/dbraw/zinc/13/40/02/564134002.db2.gz RHXOWVQIUAMIRX-KRWDZBQOSA-N 1 1 343.471 4.073 50 0 EIAAMO C[C@@H](OC(=O)CCc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000095468922 564141220 /nfs/dbraw/zinc/14/12/20/564141220.db2.gz BWDJRPHDBVRKQY-WIYYLYMNSA-N 1 1 337.463 4.073 50 0 EIAAMO CCc1cnc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)s1 ZINC000095968987 564143296 /nfs/dbraw/zinc/14/32/96/564143296.db2.gz JFAQBXBPEXRCND-QWHCGFSZSA-N 1 1 345.468 4.074 50 0 EIAAMO Cn1nc(C(F)(F)F)c(C[N@H+]2CCC[C@H]2C2CCCC2)c1Cl ZINC000096006925 564144551 /nfs/dbraw/zinc/14/45/51/564144551.db2.gz SVKLNUQBMASCTP-LBPRGKRZSA-N 1 1 335.801 4.247 50 0 EIAAMO COc1cccc([C@@H]([NH2+]Cc2cc(F)cc(F)c2)c2cccnc2)c1 ZINC000097021671 564149126 /nfs/dbraw/zinc/14/91/26/564149126.db2.gz KLHNYAHXMQAMJR-HXUWFJFHSA-N 1 1 340.373 4.248 50 0 EIAAMO CCc1ccc(C[N@@H+](C)C[C@@H](O)COc2cccc3ccccc32)cc1 ZINC000002644541 564151773 /nfs/dbraw/zinc/15/17/73/564151773.db2.gz YZFWDYAPPWGHIE-OAQYLSRUSA-N 1 1 349.474 4.274 50 0 EIAAMO CC[C@H](C)[N@@H+](C)C1CCN(C(=S)Nc2cccc(Cl)c2)CC1 ZINC000003060225 564154860 /nfs/dbraw/zinc/15/48/60/564154860.db2.gz ATDBXTIUHHLKRS-ZDUSSCGKSA-N 1 1 339.936 4.232 50 0 EIAAMO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000008118301 564162828 /nfs/dbraw/zinc/16/28/28/564162828.db2.gz TUVCFJAMYCSZEI-ZDUSSCGKSA-N 1 1 348.368 4.091 50 0 EIAAMO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCc2ccccc2C1 ZINC000008118301 564162829 /nfs/dbraw/zinc/16/28/29/564162829.db2.gz TUVCFJAMYCSZEI-ZDUSSCGKSA-N 1 1 348.368 4.091 50 0 EIAAMO Cc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3cccs3)n2)cc1 ZINC000008232017 564163709 /nfs/dbraw/zinc/16/37/09/564163709.db2.gz DZHMGVIBSZLBTP-OAHLLOKOSA-N 1 1 325.437 4.444 50 0 EIAAMO Cc1ccc(-c2noc(C[N@H+]3CCC[C@@H]3c3cccs3)n2)cc1 ZINC000008232017 564163710 /nfs/dbraw/zinc/16/37/10/564163710.db2.gz DZHMGVIBSZLBTP-OAHLLOKOSA-N 1 1 325.437 4.444 50 0 EIAAMO Cc1ccsc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000008309972 564164153 /nfs/dbraw/zinc/16/41/53/564164153.db2.gz NFJILLSAWTUMQJ-LLVKDONJSA-N 1 1 340.851 4.308 50 0 EIAAMO Cc1ccsc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000008309972 564164154 /nfs/dbraw/zinc/16/41/54/564164154.db2.gz NFJILLSAWTUMQJ-LLVKDONJSA-N 1 1 340.851 4.308 50 0 EIAAMO CC[N@@H+](Cc1ccccc1)Cc1c(C)[nH]c2ccc(C(C)=O)cc2c1=O ZINC000008571847 564165720 /nfs/dbraw/zinc/16/57/20/564165720.db2.gz SNUJXLVNQXEEPN-UHFFFAOYSA-N 1 1 348.446 4.474 50 0 EIAAMO CC[C@H]1CCCC[N@H+]1Cc1c(C)[nH]c2ccc(N(C)C)cc2c1=O ZINC000008717521 564166815 /nfs/dbraw/zinc/16/68/15/564166815.db2.gz UVXOXEXXADIFKD-HNNXBMFYSA-N 1 1 327.472 4.079 50 0 EIAAMO CCN(CC)c1ccc2[nH]c(C)c(C[N@H+]3CCCC[C@H]3C)c(=O)c2c1 ZINC000008717367 564166845 /nfs/dbraw/zinc/16/68/45/564166845.db2.gz GRICOGBHJODKFU-OAHLLOKOSA-N 1 1 341.499 4.469 50 0 EIAAMO COc1cccc([C@H](O)C[N@@H+](C)Cc2csc3ccccc23)c1 ZINC000172287520 564167513 /nfs/dbraw/zinc/16/75/13/564167513.db2.gz YJXISMYWLCICPN-GOSISDBHSA-N 1 1 327.449 4.075 50 0 EIAAMO Cc1ccc(C[N@@H+](Cc2cn3c(n2)nc(C)cc3C)C(C)C)s1 ZINC000077482568 564176730 /nfs/dbraw/zinc/17/67/30/564176730.db2.gz VZLJAVJSAAHMFW-UHFFFAOYSA-N 1 1 328.485 4.127 50 0 EIAAMO c1cncc(-c2noc(CC[C@@H]3CCC[N@H+](C4CCCCC4)C3)n2)c1 ZINC000257177965 1022611743 /nfs/dbraw/zinc/61/17/43/1022611743.db2.gz YORIOSYHIMNTDM-INIZCTEOSA-N 1 1 340.471 4.109 50 0 EIAAMO Cc1ccsc1C[N@H+]1CCCCCNC(=O)C[C@@H]1c1ccccc1 ZINC000257179809 1022651230 /nfs/dbraw/zinc/65/12/30/1022651230.db2.gz JNBIOHUBIWABTD-GOSISDBHSA-N 1 1 342.508 4.290 50 0 EIAAMO CSc1ccccc1C(=O)N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000014961341 1025504926 /nfs/dbraw/zinc/50/49/26/1025504926.db2.gz ALIXTMNMJWAAER-QGZVFWFLSA-N 1 1 346.540 4.183 50 0 EIAAMO C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CCCc2ccccc2C1 ZINC000119403069 1026183116 /nfs/dbraw/zinc/18/31/16/1026183116.db2.gz ZWHWELCRAFOKDV-INIZCTEOSA-N 1 1 333.435 4.170 50 0 EIAAMO C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+]1CCCc2ccccc2C1 ZINC000119403069 1026183123 /nfs/dbraw/zinc/18/31/23/1026183123.db2.gz ZWHWELCRAFOKDV-INIZCTEOSA-N 1 1 333.435 4.170 50 0 EIAAMO Cc1cnc(-c2cccnc2)n1[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000257181310 1036257839 /nfs/dbraw/zinc/25/78/39/1036257839.db2.gz FMKITUOSJPIVQX-FQEVSTJZSA-N 1 1 338.499 4.471 50 0 EIAAMO C[C@H]1c2cccn2CC[N@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000179569495 1043819758 /nfs/dbraw/zinc/81/97/58/1043819758.db2.gz MFIVGCYHXAVTDP-KRWDZBQOSA-N 1 1 333.435 4.039 50 0 EIAAMO C[C@H]1c2cccn2CC[N@@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000179569495 1043819760 /nfs/dbraw/zinc/81/97/60/1043819760.db2.gz MFIVGCYHXAVTDP-KRWDZBQOSA-N 1 1 333.435 4.039 50 0 EIAAMO C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]Cc1nc2ccc(F)cc2[nH]1 ZINC000821175218 1043918536 /nfs/dbraw/zinc/91/85/36/1043918536.db2.gz POKNEXAUWQXNKE-ZDUSSCGKSA-N 1 1 336.414 4.294 50 0 EIAAMO CCOc1ccc(C[NH+]2CCC(Oc3ccncc3)CC2)cc1Cl ZINC000823383245 1044277500 /nfs/dbraw/zinc/27/75/00/1044277500.db2.gz YOIDWJACVBSBIA-UHFFFAOYSA-N 1 1 346.858 4.177 50 0 EIAAMO CCn1c(C)cc2cc(NC(=O)[C@H](C)n3cc[nH+]c3C(C)C)ccc21 ZINC000823582595 1044291450 /nfs/dbraw/zinc/29/14/50/1044291450.db2.gz NDNLENJOUSUBPR-HNNXBMFYSA-N 1 1 338.455 4.489 50 0 EIAAMO C[C@@H](Cc1ccccn1)[N@H+](C)Cc1cc(CN2CCCCC2)cs1 ZINC000823648964 1044294552 /nfs/dbraw/zinc/29/45/52/1044294552.db2.gz CWALIMLAVBHANF-KRWDZBQOSA-N 1 1 343.540 4.192 50 0 EIAAMO C[C@@H](Cc1ccccn1)[N@@H+](C)Cc1cc(CN2CCCCC2)cs1 ZINC000823648964 1044294564 /nfs/dbraw/zinc/29/45/64/1044294564.db2.gz CWALIMLAVBHANF-KRWDZBQOSA-N 1 1 343.540 4.192 50 0 EIAAMO CCc1n[nH]c(C2CC[NH+](Cc3c(Cl)oc4ccccc43)CC2)n1 ZINC000682998890 1045561339 /nfs/dbraw/zinc/56/13/39/1045561339.db2.gz DXIQEAHPMQNZTB-UHFFFAOYSA-N 1 1 344.846 4.146 50 0 EIAAMO CCc1nc(C2CC[NH+](Cc3c(Cl)oc4ccccc43)CC2)n[nH]1 ZINC000682998890 1045561356 /nfs/dbraw/zinc/56/13/56/1045561356.db2.gz DXIQEAHPMQNZTB-UHFFFAOYSA-N 1 1 344.846 4.146 50 0 EIAAMO Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000631722652 1049553535 /nfs/dbraw/zinc/55/35/35/1049553535.db2.gz JWPUALFJHBXUJT-JTQLQIEISA-N 1 1 329.753 4.308 50 0 EIAAMO CCC[N@@H+]1CCC[C@H]1c1nc(C2(c3cccc(OC)c3)CCC2)no1 ZINC000952845742 1049676256 /nfs/dbraw/zinc/67/62/56/1049676256.db2.gz PZDJWVFETKPGOS-KRWDZBQOSA-N 1 1 341.455 4.095 50 0 EIAAMO CCC[N@H+]1CCC[C@H]1c1nc(C2(c3cccc(OC)c3)CCC2)no1 ZINC000952845742 1049676266 /nfs/dbraw/zinc/67/62/66/1049676266.db2.gz PZDJWVFETKPGOS-KRWDZBQOSA-N 1 1 341.455 4.095 50 0 EIAAMO CCc1[nH+]ccn1CCC(=O)N1CCCCC[C@H]1c1cccc(F)c1 ZINC000952991785 1049689772 /nfs/dbraw/zinc/68/97/72/1049689772.db2.gz SOANIIDXQJJSJJ-SFHVURJKSA-N 1 1 343.446 4.119 50 0 EIAAMO Cc1c[nH+]c(CCNC(=O)NC2CCCCC2)n1C1CCCCCC1 ZINC000581815281 1060021316 /nfs/dbraw/zinc/02/13/16/1060021316.db2.gz BQOAZZANIRUDKV-UHFFFAOYSA-N 1 1 346.519 4.261 50 0 EIAAMO CCCn1c(C)c[nH+]c1C[C@H]1CCCN(C(=O)c2cccc(C)c2)C1 ZINC000581815408 1060022181 /nfs/dbraw/zinc/02/21/81/1060022181.db2.gz BKZQYPIUASCFJS-GOSISDBHSA-N 1 1 339.483 4.005 50 0 EIAAMO CCOc1ccc2nc(C[N@H+]3CCCC4(CCOCC4)C3)ccc2c1 ZINC000097681922 219047660 /nfs/dbraw/zinc/04/76/60/219047660.db2.gz YRGKQCQXCITRHJ-UHFFFAOYSA-N 1 1 340.467 4.026 50 0 EIAAMO COc1ccc2c(C[N@H+]3CCC[C@@H]3c3ccccc3)cc(=O)oc2c1 ZINC000054670001 214249755 /nfs/dbraw/zinc/24/97/55/214249755.db2.gz DGNDDRSTROUEAX-LJQANCHMSA-N 1 1 335.403 4.139 50 0 EIAAMO COc1ccc2c(C[N@@H+]3CC=C(c4ccccc4)CC3)cc(=O)oc2c1 ZINC000055043887 214266368 /nfs/dbraw/zinc/26/63/68/214266368.db2.gz OSDUWIFNRWRJRD-UHFFFAOYSA-N 1 1 347.414 4.091 50 0 biogenic,in-vitro EIAAMO Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)[C@@H](C)Cc1cc(C)ccn1 ZINC000055385176 214315950 /nfs/dbraw/zinc/31/59/50/214315950.db2.gz IGFAFWUVQSDLJG-HNNXBMFYSA-N 1 1 328.504 4.021 50 0 EIAAMO CC[N@@H+](CCc1nc2cc(C)ccc2[nH]1)Cc1ccc(C(C)=O)cc1 ZINC000055360491 214311868 /nfs/dbraw/zinc/31/18/68/214311868.db2.gz AAFYILQBFJXNBI-UHFFFAOYSA-N 1 1 335.451 4.139 50 0 EIAAMO CC[N@H+](CCc1nc2ccc(C)cc2[nH]1)Cc1ccc(C(C)=O)cc1 ZINC000055360491 214311871 /nfs/dbraw/zinc/31/18/71/214311871.db2.gz AAFYILQBFJXNBI-UHFFFAOYSA-N 1 1 335.451 4.139 50 0 EIAAMO CC[N@@H+](CCc1nc2ccc(C)cc2[nH]1)Cc1ccc(C(C)=O)cc1 ZINC000055360491 214311874 /nfs/dbraw/zinc/31/18/74/214311874.db2.gz AAFYILQBFJXNBI-UHFFFAOYSA-N 1 1 335.451 4.139 50 0 EIAAMO Cc1ccc(C[N@@H+](C)Cc2cc(=O)oc3cc(C)c(Cl)cc23)o1 ZINC000056851570 214391885 /nfs/dbraw/zinc/39/18/85/214391885.db2.gz VJFXBWWPRNSGRY-UHFFFAOYSA-N 1 1 331.799 4.288 50 0 EIAAMO Cc1ccc(C[N@H+](C)Cc2cc(=O)oc3cc(C)c(Cl)cc23)o1 ZINC000056851570 214391887 /nfs/dbraw/zinc/39/18/87/214391887.db2.gz VJFXBWWPRNSGRY-UHFFFAOYSA-N 1 1 331.799 4.288 50 0 EIAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(Cl)c2)N3)C1 ZINC000004555587 210220077 /nfs/dbraw/zinc/22/00/77/210220077.db2.gz HSMCHHYUYAFXIB-HNNXBMFYSA-N 1 1 347.871 4.208 50 0 EIAAMO CC[C@H]1CCCC[N@H+]1C[C@H](O)COCCC12CC3CC(CC(C3)C1)C2 ZINC000004159474 210135393 /nfs/dbraw/zinc/13/53/93/210135393.db2.gz BKXIJSTVKQIFLU-URANKQGBSA-N 1 1 349.559 4.235 50 0 EIAAMO CCCC[N@@H+](C)C1CCN(C(=S)Nc2cccc(C)c2C)CC1 ZINC000003589512 210058673 /nfs/dbraw/zinc/05/86/73/210058673.db2.gz FNCPRPOMNNZOGA-UHFFFAOYSA-N 1 1 333.545 4.197 50 0 EIAAMO COc1ccc(C[N@H+](C)CC(=O)Nc2c(C)cccc2C(C)C)cc1 ZINC000003386553 210025788 /nfs/dbraw/zinc/02/57/88/210025788.db2.gz KPSIIPRVOGGYOY-UHFFFAOYSA-N 1 1 340.467 4.198 50 0 EIAAMO COc1ccc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2C(C)C)cc1 ZINC000003386553 210025791 /nfs/dbraw/zinc/02/57/91/210025791.db2.gz KPSIIPRVOGGYOY-UHFFFAOYSA-N 1 1 340.467 4.198 50 0 EIAAMO C[N@H+]1CCC=C([C@@H]2CCCCN2C(=O)c2cc3ccccc3s2)C1 ZINC000067677055 215182278 /nfs/dbraw/zinc/18/22/78/215182278.db2.gz HHKWVUWLUWFRHA-KRWDZBQOSA-N 1 1 340.492 4.158 50 0 EIAAMO CC(C)(C)C[N@H+]1CCOc2c(O)cc(-c3ccc(Cl)cn3)cc2C1 ZINC000067742532 215201223 /nfs/dbraw/zinc/20/12/23/215201223.db2.gz ADVDGOWJOQXSNV-UHFFFAOYSA-N 1 1 346.858 4.348 50 0 EIAAMO COc1ccc(Oc2cc(Cl)c(C[NH+]3CCCC3)c(OC)c2)cn1 ZINC000067880627 215239090 /nfs/dbraw/zinc/23/90/90/215239090.db2.gz NLOWUBKCWGZAKA-UHFFFAOYSA-N 1 1 348.830 4.140 50 0 EIAAMO Cc1ccccc1C[N@@H+](CCC(C)C)C[C@@H](O)COCc1ccco1 ZINC000036100047 213067770 /nfs/dbraw/zinc/06/77/70/213067770.db2.gz UYENTJZSVQLSSU-HXUWFJFHSA-N 1 1 345.483 4.014 50 0 EIAAMO CC(C)CC[N@H+](Cc1cccs1)C[C@@H](O)COc1ccccc1 ZINC000036096651 213062752 /nfs/dbraw/zinc/06/27/52/213062752.db2.gz LLSXYVHTNHJGRY-QGZVFWFLSA-N 1 1 333.497 4.036 50 0 EIAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000035023339 213005615 /nfs/dbraw/zinc/00/56/15/213005615.db2.gz WCDKJXUJAFXWJF-UEXGIBASSA-N 1 1 339.479 4.356 50 0 EIAAMO Cc1cn(Cc2nc(C3(c4ccc(C)cc4)CCCC3)no2)c(C)[nH+]1 ZINC000072132903 216021828 /nfs/dbraw/zinc/02/18/28/216021828.db2.gz DXDOHDYMVZFHRH-UHFFFAOYSA-N 1 1 336.439 4.100 50 0 EIAAMO Cc1cccc([C@H]2CCC[N@@H+](Cc3cnc(N4CCCC4)s3)C2)c1 ZINC000072477410 216255450 /nfs/dbraw/zinc/25/54/50/216255450.db2.gz ZNRGNWVTIROSLE-SFHVURJKSA-N 1 1 341.524 4.431 50 0 EIAAMO COc1cccc([C@H]2CC[N@H+]2Cc2ccc(-n3cccn3)cc2C)c1 ZINC000215344046 241121334 /nfs/dbraw/zinc/12/13/34/241121334.db2.gz RTQRGHPNPOEJGU-OAQYLSRUSA-N 1 1 333.435 4.136 50 0 EIAAMO CCn1ccc2ccc(CN3CC[NH+](Cc4cccs4)CC3)cc21 ZINC000216550432 241200975 /nfs/dbraw/zinc/20/09/75/241200975.db2.gz OWADSXGFRPQZNN-UHFFFAOYSA-N 1 1 339.508 4.041 50 0 EIAAMO CCn1ccc2ccc(C[NH+]3CCN(Cc4cccs4)CC3)cc21 ZINC000216550432 241200979 /nfs/dbraw/zinc/20/09/79/241200979.db2.gz OWADSXGFRPQZNN-UHFFFAOYSA-N 1 1 339.508 4.041 50 0 EIAAMO Fc1ccccc1N1CC[NH+](Cc2ccc([C@H]3CCCO3)s2)CC1 ZINC000215412563 241125178 /nfs/dbraw/zinc/12/51/78/241125178.db2.gz QOEOVFIEGBCHIX-GOSISDBHSA-N 1 1 346.471 4.061 50 0 EIAAMO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1cccc(Br)c1 ZINC000021720232 212245169 /nfs/dbraw/zinc/24/51/69/212245169.db2.gz ATCZEKNWTQANQJ-OAHLLOKOSA-N 1 1 335.245 4.391 50 0 EIAAMO Cc1noc(C)c1[C@H]1CCC[N@H+]1Cc1cccc(Br)c1 ZINC000021720232 212245172 /nfs/dbraw/zinc/24/51/72/212245172.db2.gz ATCZEKNWTQANQJ-OAHLLOKOSA-N 1 1 335.245 4.391 50 0 EIAAMO Cc1noc(C)c1[C@@H]1CCC[N@H+]1Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000021720064 212244053 /nfs/dbraw/zinc/24/40/53/212244053.db2.gz SZWMOMHVDRCMDH-SFHVURJKSA-N 1 1 336.439 4.327 50 0 EIAAMO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1cccc(Br)c1 ZINC000021720230 212243750 /nfs/dbraw/zinc/24/37/50/212243750.db2.gz ATCZEKNWTQANQJ-HNNXBMFYSA-N 1 1 335.245 4.391 50 0 EIAAMO Cc1noc(C)c1[C@@H]1CCC[N@H+]1Cc1cccc(Br)c1 ZINC000021720230 212243752 /nfs/dbraw/zinc/24/37/52/212243752.db2.gz ATCZEKNWTQANQJ-HNNXBMFYSA-N 1 1 335.245 4.391 50 0 EIAAMO Cc1cc(C)c(NC(=O)C[N@@H+](C)CCO[C@H]2CCCC[C@H]2C)c(C)c1 ZINC000230197496 242247657 /nfs/dbraw/zinc/24/76/57/242247657.db2.gz VXMHYJLIVVYGJE-APWZRJJASA-N 1 1 346.515 4.077 50 0 EIAAMO Cc1cc(C)c(NC(=O)C[N@H+](C)CCO[C@H]2CCCC[C@H]2C)c(C)c1 ZINC000230197496 242247662 /nfs/dbraw/zinc/24/76/62/242247662.db2.gz VXMHYJLIVVYGJE-APWZRJJASA-N 1 1 346.515 4.077 50 0 EIAAMO Fc1cccc(F)c1-c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccoc2)C1 ZINC000020919893 212188462 /nfs/dbraw/zinc/18/84/62/212188462.db2.gz ROZVVIDFSRLQBJ-AWEZNQCLSA-N 1 1 343.377 4.328 50 0 EIAAMO Cc1oc(-c2ccsc2)nc1C[N@@H+](CC1CCC1)C[C@H]1CCCO1 ZINC000020821407 212174468 /nfs/dbraw/zinc/17/44/68/212174468.db2.gz 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/nfs/dbraw/zinc/19/02/40/217190240.db2.gz CSXYOBJXAWLZHL-CYBMUJFWSA-N 1 1 340.452 4.047 50 0 EIAAMO CSc1ccc(C[N@@H+](C)[C@H](C)c2nc(-c3cccnc3)no2)cc1 ZINC000079090588 217190246 /nfs/dbraw/zinc/19/02/46/217190246.db2.gz CSXYOBJXAWLZHL-CYBMUJFWSA-N 1 1 340.452 4.047 50 0 EIAAMO CC(C)C(=O)NC[C@H]1CCC[N@H+]([C@@H](C)CCSc2ccccc2)C1 ZINC000079109638 217195409 /nfs/dbraw/zinc/19/54/09/217195409.db2.gz GKVCLBCFBQHXGF-ZWKOTPCHSA-N 1 1 348.556 4.042 50 0 EIAAMO COC[C@H]1CCCC[N@H+]1Cc1nc(-c2ccc(Cl)cc2)oc1C ZINC000012456569 211387153 /nfs/dbraw/zinc/38/71/53/211387153.db2.gz SYQVQGJKXXBCHP-MRXNPFEDSA-N 1 1 334.847 4.304 50 0 EIAAMO CSCCC[N@H+]1CCC[C@H](C(=O)c2cccc(OC(C)C)c2)C1 ZINC000012432787 211380435 /nfs/dbraw/zinc/38/04/35/211380435.db2.gz VIVXTILINCRPEU-KRWDZBQOSA-N 1 1 335.513 4.122 50 0 EIAAMO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@@H+](CC(C)C)C3)c1 ZINC000012333697 211350971 /nfs/dbraw/zinc/35/09/71/211350971.db2.gz NJRGEWNOCWZPQS-UHFFFAOYSA-N 1 1 341.451 4.221 50 0 EIAAMO OC[C@]1(Cc2ccccc2)CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000012297573 211334452 /nfs/dbraw/zinc/33/44/52/211334452.db2.gz NZLDOEGINURESY-QHCPKHFHSA-N 1 1 346.474 4.052 50 0 EIAAMO OC[C@@]1(Cc2ccccc2)CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000012297572 211334471 /nfs/dbraw/zinc/33/44/71/211334471.db2.gz NZLDOEGINURESY-HSZRJFAPSA-N 1 1 346.474 4.052 50 0 EIAAMO COc1ccc(C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2C)c(F)c1 ZINC000012112235 211290637 /nfs/dbraw/zinc/29/06/37/211290637.db2.gz YLHGBPLRXASQCP-CQSZACIVSA-N 1 1 339.414 4.179 50 0 EIAAMO O=C(c1cc(F)ccc1F)[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000011997725 211277816 /nfs/dbraw/zinc/27/78/16/211277816.db2.gz NCXJWJAGWMFLMO-QGZVFWFLSA-N 1 1 343.417 4.492 50 0 EIAAMO Cc1cc(Cl)ccc1C(=O)[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000011938390 211272356 /nfs/dbraw/zinc/27/23/56/211272356.db2.gz CSOMEFJHBLTJGH-INIZCTEOSA-N 1 1 328.843 4.138 50 0 EIAAMO CCC[C@]1(CO)CCC[N@@H+](Cc2cc(-c3ccc(C)cc3)no2)C1 ZINC000091519375 218016983 /nfs/dbraw/zinc/01/69/83/218016983.db2.gz GUAZXXIWVUMNGN-FQEVSTJZSA-N 1 1 328.456 4.025 50 0 EIAAMO C[N@H+](CCCC1CCCC1)Cc1nc(Cc2ccccc2F)no1 ZINC000011815439 211250009 /nfs/dbraw/zinc/25/00/09/211250009.db2.gz DEVYKRRMUBRQQC-UHFFFAOYSA-N 1 1 331.435 4.202 50 0 EIAAMO C[N@@H+](CCCC1CCCC1)Cc1nc(Cc2ccccc2F)no1 ZINC000011815439 211250015 /nfs/dbraw/zinc/25/00/15/211250015.db2.gz DEVYKRRMUBRQQC-UHFFFAOYSA-N 1 1 331.435 4.202 50 0 EIAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000011612280 211225345 /nfs/dbraw/zinc/22/53/45/211225345.db2.gz VPRPANWSSJGICN-FGTMMUONSA-N 1 1 336.479 4.418 50 0 EIAAMO CCCCn1ccnc1C1CC[NH+](Cc2csc(C(C)=O)c2)CC1 ZINC000091986268 218099402 /nfs/dbraw/zinc/09/94/02/218099402.db2.gz MVYFZZBIGVAKOP-UHFFFAOYSA-N 1 1 345.512 4.327 50 0 EIAAMO CCCCn1cc[nH+]c1C1CCN(Cc2csc(C(C)=O)c2)CC1 ZINC000091986268 218099404 /nfs/dbraw/zinc/09/94/04/218099404.db2.gz MVYFZZBIGVAKOP-UHFFFAOYSA-N 1 1 345.512 4.327 50 0 EIAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccccc1)Nc1cc(Cl)ccc1F ZINC000010340287 211167574 /nfs/dbraw/zinc/16/75/74/211167574.db2.gz ZHEUHWPKKNWNKT-KRWDZBQOSA-N 1 1 332.806 4.255 50 0 EIAAMO O=C(C[N@H+]1CCC[C@H]1c1ccccc1)Nc1cc(Cl)ccc1F ZINC000010340287 211167578 /nfs/dbraw/zinc/16/75/78/211167578.db2.gz ZHEUHWPKKNWNKT-KRWDZBQOSA-N 1 1 332.806 4.255 50 0 EIAAMO Cc1ccccc1C[N@@H+](C)[C@H](C)c1nnc(-c2ccc(F)cc2)o1 ZINC000009613766 211109770 /nfs/dbraw/zinc/10/97/70/211109770.db2.gz CAYPOTVTMVXUHT-CQSZACIVSA-N 1 1 325.387 4.377 50 0 EIAAMO Cc1ccccc1C[N@H+](C)[C@H](C)c1nnc(-c2ccc(F)cc2)o1 ZINC000009613766 211109773 /nfs/dbraw/zinc/10/97/73/211109773.db2.gz CAYPOTVTMVXUHT-CQSZACIVSA-N 1 1 325.387 4.377 50 0 EIAAMO CCC[C@H](C)[N@@H+](C)Cc1nc2sc3c(c2c(N)n1)CCCCC3 ZINC000095350093 218283913 /nfs/dbraw/zinc/28/39/13/218283913.db2.gz GTTLBZUHOPHMPO-LBPRGKRZSA-N 1 1 332.517 4.163 50 0 EIAAMO CC(C)n1ccnc1[C@@H]1CCC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000095358402 218291710 /nfs/dbraw/zinc/29/17/10/218291710.db2.gz XMWWZUTZKILZME-MRXNPFEDSA-N 1 1 349.425 4.445 50 0 EIAAMO CC(C)n1ccnc1[C@H]1CCC[N@@H+](Cc2ccccc2-n2cccn2)C1 ZINC000095363194 218295818 /nfs/dbraw/zinc/29/58/18/218295818.db2.gz LRXHMWXUYBKGDA-IBGZPJMESA-N 1 1 349.482 4.029 50 0 EIAAMO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)s1 ZINC000095423623 218365851 /nfs/dbraw/zinc/36/58/51/218365851.db2.gz NBFIHKAHJDGCBP-QWHCGFSZSA-N 1 1 344.484 4.147 50 0 EIAAMO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)s1 ZINC000095423625 218366386 /nfs/dbraw/zinc/36/63/86/218366386.db2.gz NBFIHKAHJDGCBP-CHWSQXEVSA-N 1 1 344.484 4.147 50 0 EIAAMO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1Cc1cccc(C(=O)N(C)C)c1 ZINC000095455780 218399390 /nfs/dbraw/zinc/39/93/90/218399390.db2.gz VBAOQHYUDALQEP-CABCVRRESA-N 1 1 340.442 4.035 50 0 EIAAMO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1Cc1cccc(C(=O)N(C)C)c1 ZINC000095455780 218399393 /nfs/dbraw/zinc/39/93/93/218399393.db2.gz VBAOQHYUDALQEP-CABCVRRESA-N 1 1 340.442 4.035 50 0 EIAAMO COC(=O)c1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCCCC2)o1 ZINC000095454720 218398583 /nfs/dbraw/zinc/39/85/83/218398583.db2.gz ZNVYUWPDALVERV-UHFFFAOYSA-N 1 1 349.377 4.294 50 0 EIAAMO C[N@@H+](CCNC(=O)c1csc2c1CCCCC2)C1CCCCC1 ZINC000005070473 210383758 /nfs/dbraw/zinc/38/37/58/210383758.db2.gz NMIAILHUDZSEQU-UHFFFAOYSA-N 1 1 334.529 4.011 50 0 EIAAMO Cc1cc[nH+]c(N[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)c1 ZINC000004960779 210340656 /nfs/dbraw/zinc/34/06/56/210340656.db2.gz LFKZJBQWUHTKHY-FQEVSTJZSA-N 1 1 329.403 4.157 50 0 EIAAMO CC[NH+](CC)c1ccc(Nc2nc3ccccc3n3cnnc23)c(C)c1 ZINC000004910125 210321122 /nfs/dbraw/zinc/32/11/22/210321122.db2.gz GUKXYRIYIKQZEO-UHFFFAOYSA-N 1 1 346.438 4.176 50 0 EIAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)Nc1c(Cl)cccc1Cl ZINC000002171834 258049674 /nfs/dbraw/zinc/04/96/74/258049674.db2.gz OAAGFPCQIUVWSN-LBPRGKRZSA-N 1 1 344.286 4.379 50 0 EIAAMO COc1cc(C)c(C[NH2+][C@H](C)c2csc(C3CC3)n2)cc1OC ZINC000089570339 258065903 /nfs/dbraw/zinc/06/59/03/258065903.db2.gz QEEXCXXOLRPDSB-GFCCVEGCSA-N 1 1 332.469 4.197 50 0 EIAAMO CCOc1ccccc1N1CC[NH+](Cc2ccc(SC)cc2)CC1 ZINC000055542976 132195876 /nfs/dbraw/zinc/19/58/76/132195876.db2.gz QQQVRVULOVXCIA-UHFFFAOYSA-N 1 1 342.508 4.129 50 0 EIAAMO Cc1ccc(C[N@H+](Cc2ccccc2)C[C@@H](O)COCC(C)C)cc1 ZINC000036101747 524421002 /nfs/dbraw/zinc/42/10/02/524421002.db2.gz QZKAFLYGUQYFMB-JOCHJYFZSA-N 1 1 341.495 4.031 50 0 EIAAMO Cc1cccc(C(=O)c2cccc(C[NH+]3CCSCC3)c2)c1C ZINC000002515288 563436344 /nfs/dbraw/zinc/43/63/44/563436344.db2.gz LGAOSHPJPRGFBX-UHFFFAOYSA-N 1 1 325.477 4.083 50 0 EIAAMO Cc1ccc(C(=O)c2cccc(C[NH+]3CCSCC3)c2)cc1C ZINC000002515292 563436441 /nfs/dbraw/zinc/43/64/41/563436441.db2.gz BAKUOJWYTJGWTD-UHFFFAOYSA-N 1 1 325.477 4.083 50 0 EIAAMO Cc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000012806690 563674360 /nfs/dbraw/zinc/67/43/60/563674360.db2.gz XNSNKIXQYLIQOC-SFHVURJKSA-N 1 1 326.415 4.218 50 0 EIAAMO Cc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000012806690 563674361 /nfs/dbraw/zinc/67/43/61/563674361.db2.gz XNSNKIXQYLIQOC-SFHVURJKSA-N 1 1 326.415 4.218 50 0 EIAAMO CC(C)[C@@H]([NH3+])c1nnc(SCc2ccc(Cl)cc2Cl)o1 ZINC000015974825 563801349 /nfs/dbraw/zinc/80/13/49/563801349.db2.gz ACTHPERTLCEIBT-LLVKDONJSA-N 1 1 332.256 4.325 50 0 EIAAMO c1ccc(CN2CC[NH+](CCOc3ccc4ccccc4c3)CC2)cc1 ZINC000022576452 563863441 /nfs/dbraw/zinc/86/34/41/563863441.db2.gz VMINCUMTJOZUCW-UHFFFAOYSA-N 1 1 346.474 4.036 50 0 EIAAMO C[N@@H+](CC(=O)Nc1cccc2ncccc21)[C@H]1CCCc2ccccc21 ZINC000025948841 563889160 /nfs/dbraw/zinc/88/91/60/563889160.db2.gz GNXCGPDWEOBOJT-NRFANRHFSA-N 1 1 345.446 4.183 50 0 EIAAMO Cc1noc(C)c1C[NH+]1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000026639654 563892615 /nfs/dbraw/zinc/89/26/15/563892615.db2.gz SKMYJJQHMDLAHL-UHFFFAOYSA-N 1 1 326.440 4.003 50 0 EIAAMO Cc1c(Cl)cccc1NC(=O)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000029482368 563906527 /nfs/dbraw/zinc/90/65/27/563906527.db2.gz RLXVWLYARMPNNF-GOSISDBHSA-N 1 1 328.843 4.206 50 0 EIAAMO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1F)[C@@H]1CCc2ccccc21 ZINC000029483153 563906864 /nfs/dbraw/zinc/90/68/64/563906864.db2.gz 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ZINC000036100696 564096152 /nfs/dbraw/zinc/09/61/52/564096152.db2.gz CHRRRSIGIZYEKE-OAQYLSRUSA-N 1 1 341.495 4.283 50 0 EIAAMO CC(C)c1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)cc1 ZINC000006727378 564096536 /nfs/dbraw/zinc/09/65/36/564096536.db2.gz YEMXBUZCBRKZQE-QGZVFWFLSA-N 1 1 341.480 4.288 50 0 EIAAMO CC(C)c1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)cc1 ZINC000006727378 564096537 /nfs/dbraw/zinc/09/65/37/564096537.db2.gz YEMXBUZCBRKZQE-QGZVFWFLSA-N 1 1 341.480 4.288 50 0 EIAAMO CC[C@H](C)[N@H+](Cc1ccc(C)s1)C[C@@H](O)COc1ccccc1 ZINC000169678013 564098146 /nfs/dbraw/zinc/09/81/46/564098146.db2.gz BCEFFUNBHPCBGO-DOTOQJQBSA-N 1 1 333.497 4.097 50 0 EIAAMO CC[C@@H](C)[N@H+](Cc1cccc(C)c1)C[C@@H](O)COc1ccccc1C ZINC000169681685 564098208 /nfs/dbraw/zinc/09/82/08/564098208.db2.gz CYEWWCOQGVJLTK-TZIWHRDSSA-N 1 1 341.495 4.344 50 0 EIAAMO Cc1cccc(C[N@H+](C)CC(=O)Nc2c(Cl)cccc2Cl)c1 ZINC000007018193 564103189 /nfs/dbraw/zinc/10/31/89/564103189.db2.gz ZDZSAZAPDFLPMY-UHFFFAOYSA-N 1 1 337.250 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COc1ccc([C@@H]([NH2+]Cc2c(C)noc2C)c2ccc(C)cc2)cc1 ZINC000095955438 564142500 /nfs/dbraw/zinc/14/25/00/564142500.db2.gz VQZRZYRMGSMGMY-NRFANRHFSA-N 1 1 336.435 4.488 50 0 EIAAMO CC[N@@H+]1CC[C@H](NCc2ccc(-c3nc4ccccc4[nH]3)cc2)[C@H](C)C1 ZINC000095967985 564143157 /nfs/dbraw/zinc/14/31/57/564143157.db2.gz JKNMKSPSELCWLY-APWZRJJASA-N 1 1 348.494 4.050 50 0 EIAAMO CC[N@H+]1CC[C@H](NCc2ccc(-c3nc4ccccc4[nH]3)cc2)[C@H](C)C1 ZINC000095967985 564143158 /nfs/dbraw/zinc/14/31/58/564143158.db2.gz JKNMKSPSELCWLY-APWZRJJASA-N 1 1 348.494 4.050 50 0 EIAAMO CCN1CC[C@H]([NH2+]Cc2ccc(-c3nc4ccccc4[nH]3)cc2)[C@H](C)C1 ZINC000095967985 564143159 /nfs/dbraw/zinc/14/31/59/564143159.db2.gz JKNMKSPSELCWLY-APWZRJJASA-N 1 1 348.494 4.050 50 0 EIAAMO COc1cccc([C@H]([NH2+]Cc2cc(F)cc(F)c2)c2cccnc2)c1 ZINC000097021669 564149124 /nfs/dbraw/zinc/14/91/24/564149124.db2.gz KLHNYAHXMQAMJR-FQEVSTJZSA-N 1 1 340.373 4.248 50 0 EIAAMO CC(C)c1cccc(O[C@H](C)C(=O)Nc2cccc3c2C[N@H+](C)C3)c1 ZINC000225746605 564150431 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COc1ccc(Cl)c2c(=O)c(C[N@H+]3CCCC[C@H]3C)c(C)[nH]c12 ZINC000008717471 564166841 /nfs/dbraw/zinc/16/68/41/564166841.db2.gz GHIHOVVBHIOILI-LLVKDONJSA-N 1 1 334.847 4.285 50 0 EIAAMO FC(F)(F)[C@H]1CCC[N@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000070040566 564173501 /nfs/dbraw/zinc/17/35/01/564173501.db2.gz ZOMGGUPVNKQMIS-AWEZNQCLSA-N 1 1 349.400 4.135 50 0 EIAAMO FC(F)(F)[C@H]1CCC[N@@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000070040566 564173502 /nfs/dbraw/zinc/17/35/02/564173502.db2.gz ZOMGGUPVNKQMIS-AWEZNQCLSA-N 1 1 349.400 4.135 50 0 EIAAMO Cc1cnc([C@H]2CC[N@@H+](Cc3cccc(F)c3)C2)n1Cc1ccccc1 ZINC000581815874 1021885483 /nfs/dbraw/zinc/88/54/83/1021885483.db2.gz JURKRUWWOLTFRX-FQEVSTJZSA-N 1 1 349.453 4.368 50 0 EIAAMO C[C@]1(COc2ccncc2)CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000257174370 1022569644 /nfs/dbraw/zinc/56/96/44/1022569644.db2.gz GBNNHXKYCLJQGN-IBGZPJMESA-N 1 1 332.394 4.041 50 0 EIAAMO C[C@]1(COc2ccncc2)CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000257174370 1022569648 /nfs/dbraw/zinc/56/96/48/1022569648.db2.gz GBNNHXKYCLJQGN-IBGZPJMESA-N 1 1 332.394 4.041 50 0 EIAAMO COc1ccc(CN2CC[C@]3(C2)CCC[N@@H+](CC2CCC2)C3)cc1C ZINC000011933562 1043754900 /nfs/dbraw/zinc/75/49/00/1043754900.db2.gz CPXNSCVAUSERJS-JOCHJYFZSA-N 1 1 342.527 4.092 50 0 EIAAMO Cc1cccc(-c2ncc(C[N@H+]3CCC[C@H]3c3cccnc3)cn2)c1 ZINC000825224761 1044619848 /nfs/dbraw/zinc/61/98/48/1044619848.db2.gz DZVLSFMVAOMOAN-FQEVSTJZSA-N 1 1 330.435 4.184 50 0 EIAAMO CC(C)(O)[C@H]1CCC[N@H+]1Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000179429894 1049568330 /nfs/dbraw/zinc/56/83/30/1049568330.db2.gz XIZFMGDWLKYTLY-OAHLLOKOSA-N 1 1 336.888 4.199 50 0 EIAAMO CCCO[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2-n2nc(C)cc2C)C1 ZINC000952969616 1049683546 /nfs/dbraw/zinc/68/35/46/1049683546.db2.gz BWEXAPGIWSZVGN-LJQANCHMSA-N 1 1 345.462 4.019 50 0 EIAAMO Cc1ccc(CN(C(=O)[C@H]2CCCCC[N@@H+]2C)C2CCCC2)s1 ZINC000952973734 1049686892 /nfs/dbraw/zinc/68/68/92/1049686892.db2.gz AFVWEVQOKRGHIP-GOSISDBHSA-N 1 1 334.529 4.202 50 0 EIAAMO C[N@H+](Cc1ccnc2ccccc12)C[C@@H]1CCN(c2ccccc2)C1 ZINC000952982850 1049688124 /nfs/dbraw/zinc/68/81/24/1049688124.db2.gz SBMZQWQXOYXZGL-SFHVURJKSA-N 1 1 331.463 4.193 50 0 EIAAMO COc1ccccc1-c1ncc(C[N@H+](C)[C@H](C)c2cccnc2)s1 ZINC000952986463 1049692447 /nfs/dbraw/zinc/69/24/47/1049692447.db2.gz YBLZBJIXIAZNFM-CQSZACIVSA-N 1 1 339.464 4.407 50 0 EIAAMO COc1ccccc1-c1ncc(C[N@@H+](C)[C@H](C)c2cccnc2)s1 ZINC000952986463 1049692452 /nfs/dbraw/zinc/69/24/52/1049692452.db2.gz YBLZBJIXIAZNFM-CQSZACIVSA-N 1 1 339.464 4.407 50 0 EIAAMO Cc1cnc(-c2cccnc2)n1[C@@H]1CCC[N@@H+](Cc2cccc(C)c2)C1 ZINC000581808075 1060017199 /nfs/dbraw/zinc/01/71/99/1060017199.db2.gz WXNLNCYYWMBHMP-OAQYLSRUSA-N 1 1 346.478 4.399 50 0 EIAAMO CCC[C@H](O)C[N@H+](Cc1cccn1Cc1cccc(F)c1)CC(C)C ZINC000004708722 210254546 /nfs/dbraw/zinc/25/45/46/210254546.db2.gz CWTIKDCZHYEJHS-NRFANRHFSA-N 1 1 346.490 4.295 50 0 EIAAMO Cc1ccnc(C[C@@H](C)[N@@H+](C)Cc2cccc(Oc3ncccn3)c2)c1 ZINC000055035871 214265212 /nfs/dbraw/zinc/26/52/12/214265212.db2.gz GXAHGHLOOPHRHM-QGZVFWFLSA-N 1 1 348.450 4.035 50 0 EIAAMO COCC[N@@H+](Cc1sccc1C)Cc1cnc2ccccc2c1 ZINC000055309045 214305836 /nfs/dbraw/zinc/30/58/36/214305836.db2.gz MFWZABCIHJAFAM-UHFFFAOYSA-N 1 1 326.465 4.253 50 0 EIAAMO CC[C@@H](C)[N@@H+](Cc1ccc(-c2cc[nH]n2)s1)Cc1ccncc1 ZINC000055358208 214311029 /nfs/dbraw/zinc/31/10/29/214311029.db2.gz YMZJFARGYILQHK-CQSZACIVSA-N 1 1 326.469 4.334 50 0 EIAAMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccc(C(C)C)cc1)CC2 ZINC000004089643 210117609 /nfs/dbraw/zinc/11/76/09/210117609.db2.gz IWGYCEVMEKPQPP-UHFFFAOYSA-N 1 1 325.452 4.386 50 0 biogenic EIAAMO O=C(CC12CC3CC(CC(C3)C1)C2)OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000004027673 210103671 /nfs/dbraw/zinc/10/36/71/210103671.db2.gz KOIVYNLRZMNEAK-GKHXVQBSSA-N 1 1 345.527 4.401 50 0 biogenic EIAAMO CCCC[N@H+]1Cc2cccc(NC(=O)[C@@H](C)c3c(C)noc3C)c2C1 ZINC000066513252 215049636 /nfs/dbraw/zinc/04/96/36/215049636.db2.gz FIRGRVFVZQBJGS-ZDUSSCGKSA-N 1 1 341.455 4.149 50 0 EIAAMO CCCC[N@@H+](C)C1CCN(C(=S)Nc2ccc(C)c(C)c2)CC1 ZINC000003588676 210059456 /nfs/dbraw/zinc/05/94/56/210059456.db2.gz KVSLVYBGLKKWLD-UHFFFAOYSA-N 1 1 333.545 4.197 50 0 EIAAMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000003304502 210002122 /nfs/dbraw/zinc/00/21/22/210002122.db2.gz YJNUSYXLPUIDNG-CALCHBBNSA-N 1 1 338.451 4.395 50 0 EIAAMO Cc1ccc(NC(=S)N2CCC([N@@H+](C)C3CCCC3)CC2)c(C)c1 ZINC000003058396 209958741 /nfs/dbraw/zinc/95/87/41/209958741.db2.gz STINECUBUPCQSN-UHFFFAOYSA-N 1 1 345.556 4.339 50 0 EIAAMO CC(C)c1cc(C2CC[NH+](Cc3ccnn3-c3ccccc3)CC2)n[nH]1 ZINC000067756452 215205213 /nfs/dbraw/zinc/20/52/13/215205213.db2.gz DKKDFCCALLYDNJ-UHFFFAOYSA-N 1 1 349.482 4.098 50 0 EIAAMO CCc1ccc(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)o1 ZINC000067886620 215242299 /nfs/dbraw/zinc/24/22/99/215242299.db2.gz VQXSREPJBWVPGC-LBPRGKRZSA-N 1 1 345.393 4.465 50 0 EIAAMO CC(C)c1cc(C2CC[NH+](Cc3cccn3-c3cccnc3)CC2)n[nH]1 ZINC000067908778 215247520 /nfs/dbraw/zinc/24/75/20/215247520.db2.gz BSUJNFQOUUKTSR-UHFFFAOYSA-N 1 1 349.482 4.098 50 0 EIAAMO Fc1ccc(CN2CC[N@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)c(F)c1 ZINC000039769816 213242112 /nfs/dbraw/zinc/24/21/12/213242112.db2.gz VOXCPUZBKUNEOO-UXHICEINSA-N 1 1 334.454 4.194 50 0 EIAAMO OCCCC[N@H+]1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000072121674 216015501 /nfs/dbraw/zinc/01/55/01/216015501.db2.gz ASOZNSONVFRYFY-OAHLLOKOSA-N 1 1 329.406 4.123 50 0 EIAAMO C[N@H+](Cc1cc(-c2ccccc2)no1)Cc1c[nH]c2cc(=O)ccc-2c1 ZINC000072127310 216018093 /nfs/dbraw/zinc/01/80/93/216018093.db2.gz BEXDBASACBTXBK-UHFFFAOYSA-N 1 1 345.402 4.227 50 0 EIAAMO C[N@@H+](Cc1cc(-c2ccccc2)no1)Cc1c[nH]c2cc(=O)ccc-2c1 ZINC000072127310 216018095 /nfs/dbraw/zinc/01/80/95/216018095.db2.gz BEXDBASACBTXBK-UHFFFAOYSA-N 1 1 345.402 4.227 50 0 EIAAMO Cc1ccc(-c2nccn2[C@@H]2CC[N@H+](C)C[C@@H]2Cc2ccccc2)o1 ZINC000072142124 216027723 /nfs/dbraw/zinc/02/77/23/216027723.db2.gz ZVRSKIXJFJSRLP-RBUKOAKNSA-N 1 1 335.451 4.187 50 0 EIAAMO COc1cc(OC)c(C[N@@H+]2CCCCC[C@@H]2c2ccco2)c(OC)c1 ZINC000072135330 216023620 /nfs/dbraw/zinc/02/36/20/216023620.db2.gz OQFCYEJTGYWOPS-QGZVFWFLSA-N 1 1 345.439 4.423 50 0 EIAAMO COc1cc(OC)c(C[N@H+]2CCCCC[C@@H]2c2ccco2)c(OC)c1 ZINC000072135330 216023622 /nfs/dbraw/zinc/02/36/22/216023622.db2.gz OQFCYEJTGYWOPS-QGZVFWFLSA-N 1 1 345.439 4.423 50 0 EIAAMO CC(C)=CCC/C(C)=C/C[N@H+]1CCC[C@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000072142936 216028019 /nfs/dbraw/zinc/02/80/19/216028019.db2.gz XOSGBUQDCWJRQN-BXBHGGAKSA-N 1 1 329.488 4.363 50 0 EIAAMO O=C(Cc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000072406769 216196713 /nfs/dbraw/zinc/19/67/13/216196713.db2.gz DCVXSGAFZWIEPK-FQEVSTJZSA-N 1 1 344.458 4.259 50 0 EIAAMO COc1cccc([C@@H]2CCC[N@H+]2Cc2cccc(Cn3cccn3)c2)c1 ZINC000072422756 216211776 /nfs/dbraw/zinc/21/17/76/216211776.db2.gz NESKCLXIDZJXQF-QFIPXVFZSA-N 1 1 347.462 4.277 50 0 EIAAMO O=C(Nc1ccc(Cl)cc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000000066413 209397090 /nfs/dbraw/zinc/39/70/90/209397090.db2.gz WFUDCKRXGABLPG-UHFFFAOYSA-N 1 1 343.858 4.080 50 0 EIAAMO Cc1cccc(-c2nc3cc(C)ccc3cc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000072469417 216249327 /nfs/dbraw/zinc/24/93/27/216249327.db2.gz NLASTAVKDDIERN-FQEVSTJZSA-N 1 1 332.447 4.085 50 0 EIAAMO COCC[N@H+](Cc1cccc2c3ccccc3oc21)C[C@@H]1CCCO1 ZINC000215066659 241106340 /nfs/dbraw/zinc/10/63/40/241106340.db2.gz NUPCFGZWHPLKQO-KRWDZBQOSA-N 1 1 339.435 4.213 50 0 EIAAMO CCn1ccc2c1cccc2C[N@H+](Cc1ccccn1)C[C@@H]1CCCO1 ZINC000215238505 241114285 /nfs/dbraw/zinc/11/42/85/241114285.db2.gz FATJBTJXIBCIOC-FQEVSTJZSA-N 1 1 349.478 4.237 50 0 EIAAMO C[C@@H]1C[N@@H+](C(c2ccccc2)(c2ccccc2)c2ccccc2)CCN1 ZINC000021948290 212266504 /nfs/dbraw/zinc/26/65/04/212266504.db2.gz VYUQPZHRDKLOPX-HXUWFJFHSA-N 1 1 342.486 4.272 50 0 EIAAMO C[C@@H]1C[N@H+](C(c2ccccc2)(c2ccccc2)c2ccccc2)CCN1 ZINC000021948290 212266505 /nfs/dbraw/zinc/26/65/05/212266505.db2.gz VYUQPZHRDKLOPX-HXUWFJFHSA-N 1 1 342.486 4.272 50 0 EIAAMO Brc1ccc2[nH]c(C[N@H+]3CC[C@H]4CCCC[C@H]43)nc2c1 ZINC000230142326 242240578 /nfs/dbraw/zinc/24/05/78/242240578.db2.gz BBEKGSQQVIMMNP-IAQYHMDHSA-N 1 1 334.261 4.090 50 0 EIAAMO Brc1ccc2nc(C[N@@H+]3CC[C@H]4CCCC[C@H]43)[nH]c2c1 ZINC000230142326 242240582 /nfs/dbraw/zinc/24/05/82/242240582.db2.gz BBEKGSQQVIMMNP-IAQYHMDHSA-N 1 1 334.261 4.090 50 0 EIAAMO Brc1ccc2nc(C[N@H+]3CC[C@H]4CCCC[C@H]43)[nH]c2c1 ZINC000230142326 242240585 /nfs/dbraw/zinc/24/05/85/242240585.db2.gz BBEKGSQQVIMMNP-IAQYHMDHSA-N 1 1 334.261 4.090 50 0 EIAAMO COc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3CC(C)C)C2)c(F)c1 ZINC000020997495 212196806 /nfs/dbraw/zinc/19/68/06/212196806.db2.gz ZKQVNEURHANVFR-MRXNPFEDSA-N 1 1 345.462 4.136 50 0 EIAAMO CC[NH+]1CCN(CCCCOc2ccc(C(C)(C)C)cc2C)CC1 ZINC000020390103 212124344 /nfs/dbraw/zinc/12/43/44/212124344.db2.gz SHKUUAMJPVSMNB-UHFFFAOYSA-N 1 1 332.532 4.089 50 0 EIAAMO O=C(C1CCCC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020149592 212106703 /nfs/dbraw/zinc/10/67/03/212106703.db2.gz SOGUJCHIIYGCNK-UHFFFAOYSA-N 1 1 348.490 4.110 50 0 EIAAMO C[C@@H]1C[C@H](C)C[N@H+]([C@@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)C1 ZINC000020108382 212101159 /nfs/dbraw/zinc/10/11/59/212101159.db2.gz DAHVBUUUGZCMAQ-ZRGWGRIASA-N 1 1 348.918 4.418 50 0 EIAAMO C[C@@H]1C[C@H](C)C[N@@H+]([C@@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)C1 ZINC000020108382 212101161 /nfs/dbraw/zinc/10/11/61/212101161.db2.gz DAHVBUUUGZCMAQ-ZRGWGRIASA-N 1 1 348.918 4.418 50 0 EIAAMO CC(C)Cc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000019782068 212066328 /nfs/dbraw/zinc/06/63/28/212066328.db2.gz KGBYHODQBBPBQV-OAHLLOKOSA-N 1 1 333.426 4.266 50 0 EIAAMO Clc1cccc(C[NH+]2CC(c3nc(-c4cccs4)no3)C2)c1 ZINC000049484697 214013004 /nfs/dbraw/zinc/01/30/04/214013004.db2.gz DSEVFHZUTWAFLR-UHFFFAOYSA-N 1 1 331.828 4.051 50 0 EIAAMO CSc1ccccc1C(=O)[C@@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000019148622 212001938 /nfs/dbraw/zinc/00/19/38/212001938.db2.gz CZYFAZCRWVESMM-MRXNPFEDSA-N 1 1 341.476 4.209 50 0 EIAAMO CSc1ccccc1C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000019148622 212001940 /nfs/dbraw/zinc/00/19/40/212001940.db2.gz CZYFAZCRWVESMM-MRXNPFEDSA-N 1 1 341.476 4.209 50 0 EIAAMO CCc1cnc(C[NH+]2CCC(c3c[nH]c4ccc(OC)cc43)CC2)o1 ZINC000089289620 217782874 /nfs/dbraw/zinc/78/28/74/217782874.db2.gz FDUJBLYENOJEAM-UHFFFAOYSA-N 1 1 339.439 4.107 50 0 EIAAMO OC[C@@]1(CCc2ccccc2)CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000012441524 211383306 /nfs/dbraw/zinc/38/33/06/211383306.db2.gz OQPLGNISNWHIEG-ZCHVWDMZSA-N 1 1 335.491 4.407 50 0 EIAAMO OC[C@]1(CCc2ccccc2)CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000012441526 211383009 /nfs/dbraw/zinc/38/30/09/211383009.db2.gz OQPLGNISNWHIEG-ZFLSFVSKSA-N 1 1 335.491 4.407 50 0 EIAAMO COc1ccc(C[N@H+]2CCC[C@H](Nc3ccc(C)c(C)c3)C2)cc1O ZINC000012319705 211344365 /nfs/dbraw/zinc/34/43/65/211344365.db2.gz NOMMNZQFRKCLSG-IBGZPJMESA-N 1 1 340.467 4.094 50 0 EIAAMO c1cc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)n(-c2nccs2)c1 ZINC000011938623 211271892 /nfs/dbraw/zinc/27/18/92/211271892.db2.gz HVDVNMUZBSAZHK-KRWDZBQOSA-N 1 1 338.480 4.010 50 0 EIAAMO CCn1ccnc1[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000091452087 218008089 /nfs/dbraw/zinc/00/80/89/218008089.db2.gz BYATUTZXMXUBNJ-OAHLLOKOSA-N 1 1 337.389 4.301 50 0 EIAAMO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccc2)cc1Cl ZINC000010310981 211161753 /nfs/dbraw/zinc/16/17/53/211161753.db2.gz RNSUTFSTMOQXNR-GOSISDBHSA-N 1 1 328.843 4.424 50 0 EIAAMO C[C@@H]1C[C@H](c2ccsc2)C[N@H+]1Cc1nnc(-c2cccs2)o1 ZINC000095401047 218335419 /nfs/dbraw/zinc/33/54/19/218335419.db2.gz WYOQIJNWQJCASY-YPMHNXCESA-N 1 1 331.466 4.238 50 0 EIAAMO C[C@@H]1C[C@@H](c2ccsc2)C[N@H+]1Cc1nnc(-c2cccs2)o1 ZINC000095401049 218335798 /nfs/dbraw/zinc/33/57/98/218335798.db2.gz WYOQIJNWQJCASY-DGCLKSJQSA-N 1 1 331.466 4.238 50 0 EIAAMO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)s1 ZINC000095423624 218365868 /nfs/dbraw/zinc/36/58/68/218365868.db2.gz NBFIHKAHJDGCBP-STQMWFEESA-N 1 1 344.484 4.147 50 0 EIAAMO Cc1ccc(NCc2ccsc2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000095428833 218370798 /nfs/dbraw/zinc/37/07/98/218370798.db2.gz 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CCCCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCC1)n2CC ZINC000026121067 564077310 /nfs/dbraw/zinc/07/73/10/564077310.db2.gz LISVGQXXUFTMGO-UHFFFAOYSA-N 1 1 342.487 4.171 50 0 EIAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCC[C@](O)(c1ccccc1)c1cccnc1 ZINC000102196795 564083237 /nfs/dbraw/zinc/08/32/37/564083237.db2.gz NPQAWCNDVWTXAM-JQVVWYNYSA-N 1 1 338.495 4.361 50 0 EIAAMO Cc1c(C(=O)N(C)c2cccc3ccccc32)cnn1-c1cc[nH+]cc1 ZINC000090397129 564084365 /nfs/dbraw/zinc/08/43/65/564084365.db2.gz PEFCIZYPUOEOOX-UHFFFAOYSA-N 1 1 342.402 4.006 50 0 EIAAMO C[C@@H](C1CC1)[N@@H+](C)Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000064140251 564085263 /nfs/dbraw/zinc/08/52/63/564085263.db2.gz RSFJPGCTBXODFE-VIFPVBQESA-N 1 1 326.227 4.274 50 0 EIAAMO O=C(C[NH+]1CCCC1)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000013009043 564086448 /nfs/dbraw/zinc/08/64/48/564086448.db2.gz ROMHRQJOCBRFLU-UHFFFAOYSA-N 1 1 330.815 4.167 50 0 EIAAMO C[C@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)N[C@H]1CCCC[C@H]1C ZINC000241171099 564088300 /nfs/dbraw/zinc/08/83/00/564088300.db2.gz 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564103019 /nfs/dbraw/zinc/10/30/19/564103019.db2.gz FTLDZSDOYLKKIN-OAHLLOKOSA-N 1 1 341.430 4.255 50 0 EIAAMO Cc1ccccc1C[N@H+]1CCCC[C@@H]1c1nc(-c2cccnc2)no1 ZINC000065286076 564104358 /nfs/dbraw/zinc/10/43/58/564104358.db2.gz GGXRTAQILCOINR-GOSISDBHSA-N 1 1 334.423 4.167 50 0 EIAAMO Cc1c2cc(CNc3cc[nH+]c(N)n3)ccc2[nH]c1-c1ccc(F)cc1 ZINC000071523555 564111011 /nfs/dbraw/zinc/11/10/11/564111011.db2.gz ZVQJWKJNGZPNLG-UHFFFAOYSA-N 1 1 347.397 4.267 50 0 EIAAMO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cc(Cl)cs1 ZINC000194429717 564120515 /nfs/dbraw/zinc/12/05/15/564120515.db2.gz SXRANUOJLBQLQR-GIPWTMENSA-N 1 1 327.902 4.332 50 0 EIAAMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cc(Cl)cs1 ZINC000194429717 564120516 /nfs/dbraw/zinc/12/05/16/564120516.db2.gz SXRANUOJLBQLQR-GIPWTMENSA-N 1 1 327.902 4.332 50 0 EIAAMO CC[N@H+](CC(=O)Nc1c(C)cc(C)cc1Cl)Cc1cccs1 ZINC000007614177 564120979 /nfs/dbraw/zinc/12/09/79/564120979.db2.gz IQCRHDNXKYVFQG-UHFFFAOYSA-N 1 1 336.888 4.479 50 0 EIAAMO CC[N@@H+](CC(=O)Nc1c(C)cc(C)cc1Cl)Cc1cccs1 ZINC000007614177 564120980 /nfs/dbraw/zinc/12/09/80/564120980.db2.gz IQCRHDNXKYVFQG-UHFFFAOYSA-N 1 1 336.888 4.479 50 0 EIAAMO CC[C@@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1ncc(C)s1 ZINC000095437382 564140423 /nfs/dbraw/zinc/14/04/23/564140423.db2.gz OOHGZGZROIIFDX-GFCCVEGCSA-N 1 1 330.375 4.433 50 0 EIAAMO Cc1c(O)ccc2c(C[N@H+]3CCC[C@H]3c3ccccc3)cc(=O)oc12 ZINC000057536126 564154875 /nfs/dbraw/zinc/15/48/75/564154875.db2.gz ALNZQUPDMFFBHN-SFHVURJKSA-N 1 1 335.403 4.144 50 0 EIAAMO C[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)[C@H]1CCCc2ccccc21 ZINC000008266672 564163854 /nfs/dbraw/zinc/16/38/54/564163854.db2.gz WQIDDIHNXZMZHP-INIZCTEOSA-N 1 1 348.368 4.052 50 0 EIAAMO COc1cc(OC)c2[nH]c(C)c(C[N@@H+](C)C3CCCCC3)c(=O)c2c1 ZINC000008717258 564166726 /nfs/dbraw/zinc/16/67/26/564166726.db2.gz HXOIINJOYIRQJR-UHFFFAOYSA-N 1 1 344.455 4.031 50 0 EIAAMO CC[C@H]1CCCC[N@H+]1Cc1c(C)[nH]c2c(OC)ccc(OC)c2c1=O ZINC000008717352 564166735 /nfs/dbraw/zinc/16/67/35/564166735.db2.gz 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CC(C)[N@H+]1CC2(CC[NH+](Cc3ccncc3)CC2)[C@@H]1c1ccccc1 ZINC000257183164 1036309868 /nfs/dbraw/zinc/30/98/68/1036309868.db2.gz HGDYZVJLAJVBSU-NRFANRHFSA-N 1 1 335.495 4.129 50 0 EIAAMO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]2c2nccs2)cc1C ZINC000011935368 1043755836 /nfs/dbraw/zinc/75/58/36/1043755836.db2.gz HPHQZPUKILICHS-KRWDZBQOSA-N 1 1 338.480 4.487 50 0 EIAAMO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]2c2nccs2)cc1C ZINC000011935368 1043755853 /nfs/dbraw/zinc/75/58/53/1043755853.db2.gz HPHQZPUKILICHS-KRWDZBQOSA-N 1 1 338.480 4.487 50 0 EIAAMO COCCc1cc[nH+]c(NCc2ccc(Oc3cccnc3)c(C)c2)c1 ZINC000351570347 1045480637 /nfs/dbraw/zinc/48/06/37/1045480637.db2.gz YXCKDDOZEOXHGN-UHFFFAOYSA-N 1 1 349.434 4.378 50 0 EIAAMO CCCO[C@H]1CCC[N@@H+](Cc2cc(F)ccc2-n2nc(C)cc2C)C1 ZINC000952969591 1049683429 /nfs/dbraw/zinc/68/34/29/1049683429.db2.gz BWEXAPGIWSZVGN-IBGZPJMESA-N 1 1 345.462 4.019 50 0 EIAAMO Cc1[nH+]ccn1Cc1ccccc1NC(=O)c1cccc(OC(C)C)c1 ZINC000952977244 1049685813 /nfs/dbraw/zinc/68/58/13/1049685813.db2.gz JPUGBNRNXDSHJB-UHFFFAOYSA-N 1 1 349.434 4.279 50 0 EIAAMO CCc1[nH+]ccn1CCC(=O)N1CCCCC[C@@H]1c1cccc(F)c1 ZINC000952991784 1049688738 /nfs/dbraw/zinc/68/87/38/1049688738.db2.gz SOANIIDXQJJSJJ-GOSISDBHSA-N 1 1 343.446 4.119 50 0 EIAAMO C[N@H+]1CCC[C@@H]1CCn1cnc(-c2ccccc2)c1-c1ccncc1 ZINC000065427965 1059932720 /nfs/dbraw/zinc/93/27/20/1059932720.db2.gz DOLUSHLCTWGDBN-LJQANCHMSA-N 1 1 332.451 4.096 50 0 EIAAMO CC(C)[N@H+]1CC2(CCN(C(=O)C3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000581802723 1060004696 /nfs/dbraw/zinc/00/46/96/1060004696.db2.gz OQGUQSMPSGDMFN-HXUWFJFHSA-N 1 1 340.511 4.251 50 0 EIAAMO Cc1nccn1CC[N@H+](C)C[C@@H]1CC1(c1ccccc1)c1ccccc1 ZINC000097604268 219041204 /nfs/dbraw/zinc/04/12/04/219041204.db2.gz FSHQETYHOUTJFD-QFIPXVFZSA-N 1 1 345.490 4.130 50 0 EIAAMO C[N@H+](Cc1csc(-c2ncccn2)n1)Cc1cccc2ccccc21 ZINC000051993254 214111521 /nfs/dbraw/zinc/11/15/21/214111521.db2.gz QMZXJXWZLFSABV-UHFFFAOYSA-N 1 1 346.459 4.385 50 0 EIAAMO C[N@@H+](Cc1csc(-c2ncccn2)n1)Cc1cccc2ccccc21 ZINC000051993254 214111525 /nfs/dbraw/zinc/11/15/25/214111525.db2.gz QMZXJXWZLFSABV-UHFFFAOYSA-N 1 1 346.459 4.385 50 0 EIAAMO c1coc(-c2cc(C[N@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)no2)c1 ZINC000052611737 214136336 /nfs/dbraw/zinc/13/63/36/214136336.db2.gz WPLZUKGXCZBTLW-CQSZACIVSA-N 1 1 349.390 4.455 50 0 EIAAMO CCC[N@@H+](Cc1ccc(SC)cc1)Cc1cccc(OCCO)c1 ZINC000055035940 214265840 /nfs/dbraw/zinc/26/58/40/214265840.db2.gz UFOQSSXRDVIEAK-UHFFFAOYSA-N 1 1 345.508 4.192 50 0 EIAAMO CCOc1ccc(C[N@H+](Cc2coc3ccccc3c2=O)C2CC2)cc1 ZINC000055088445 214270583 /nfs/dbraw/zinc/27/05/83/214270583.db2.gz QYACFSAJYJNIOG-UHFFFAOYSA-N 1 1 349.430 4.356 50 0 EIAAMO CCOc1ccc(C[N@@H+](Cc2coc3ccccc3c2=O)C2CC2)cc1 ZINC000055088445 214270586 /nfs/dbraw/zinc/27/05/86/214270586.db2.gz QYACFSAJYJNIOG-UHFFFAOYSA-N 1 1 349.430 4.356 50 0 EIAAMO CC[C@@H](CO)[N@@H+](Cc1cccs1)Cc1cnc2ccccc2c1 ZINC000055309934 214304917 /nfs/dbraw/zinc/30/49/17/214304917.db2.gz 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ZINC000003060198 209959870 /nfs/dbraw/zinc/95/98/70/209959870.db2.gz BCXNMLDNLMGDRA-INIZCTEOSA-N 1 1 333.545 4.195 50 0 EIAAMO Cc1cc(C)cc(NC(=S)N2CCC([N@@H+](C)C3CCCC3)CC2)c1 ZINC000003058437 209958698 /nfs/dbraw/zinc/95/86/98/209958698.db2.gz PIYFHQFTFIETEN-UHFFFAOYSA-N 1 1 345.556 4.339 50 0 EIAAMO CC[C@H](O)C[N@H+]1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067691144 215185516 /nfs/dbraw/zinc/18/55/16/215185516.db2.gz BXGINNRSQKCSJM-IBGZPJMESA-N 1 1 348.446 4.138 50 0 EIAAMO CCCn1ccnc1C[NH+]1CCC(c2n[nH]cc2-c2ccccc2)CC1 ZINC000067894350 215242743 /nfs/dbraw/zinc/24/27/43/215242743.db2.gz GZMLLKLMKSCIOB-UHFFFAOYSA-N 1 1 349.482 4.063 50 0 EIAAMO Cc1cccc2c(C[N@@H+]3CCc4nc[nH]c4[C@H]3c3ccsc3)c[nH]c21 ZINC000067974457 215263838 /nfs/dbraw/zinc/26/38/38/215263838.db2.gz GXQCLHBPYOCLBG-HXUWFJFHSA-N 1 1 348.475 4.409 50 0 EIAAMO Cc1cccc2c(C[N@H+]3CCc4nc[nH]c4[C@H]3c3ccsc3)c[nH]c21 ZINC000067974457 215263841 /nfs/dbraw/zinc/26/38/41/215263841.db2.gz GXQCLHBPYOCLBG-HXUWFJFHSA-N 1 1 348.475 4.409 50 0 EIAAMO Cn1cc(CCC[N@H+]2CCc3sccc3[C@H]2c2cccs2)cn1 ZINC000040151484 213272855 /nfs/dbraw/zinc/27/28/55/213272855.db2.gz VZJKLSMYFVYJSU-SFHVURJKSA-N 1 1 343.521 4.123 50 0 EIAAMO c1ccc2c(c1)cccc2-c1noc2c1C[N@@H+]([C@H]1CCSC1)CC2 ZINC000039430134 213236845 /nfs/dbraw/zinc/23/68/45/213236845.db2.gz FQBDLOSOFXLXBC-HNNXBMFYSA-N 1 1 336.460 4.358 50 0 EIAAMO Cc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccsc3)no2)cc1 ZINC000036395398 213097104 /nfs/dbraw/zinc/09/71/04/213097104.db2.gz UKSMCSVURRXPSA-MRXNPFEDSA-N 1 1 325.437 4.444 50 0 EIAAMO Cc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3ccsc3)no2)cc1 ZINC000036395398 213097109 /nfs/dbraw/zinc/09/71/09/213097109.db2.gz UKSMCSVURRXPSA-MRXNPFEDSA-N 1 1 325.437 4.444 50 0 EIAAMO CC[C@H](C)[N@H+](Cc1cccc(C)c1)C[C@H](O)COc1ccccc1 ZINC000036098758 213064751 /nfs/dbraw/zinc/06/47/51/213064751.db2.gz LDZTXYQMLZPBLL-ICSRJNTNSA-N 1 1 327.468 4.035 50 0 EIAAMO CCOc1cc(C[N@@H+]2CCC[C@H]2c2cc(C(C)C)no2)ccc1O ZINC000035511308 213035130 /nfs/dbraw/zinc/03/51/30/213035130.db2.gz HLXATXQOYKPJEZ-INIZCTEOSA-N 1 1 330.428 4.239 50 0 EIAAMO CCOc1cc(C[N@H+]2CCC[C@H]2c2cc(C(C)C)no2)ccc1O ZINC000035511308 213035133 /nfs/dbraw/zinc/03/51/33/213035133.db2.gz HLXATXQOYKPJEZ-INIZCTEOSA-N 1 1 330.428 4.239 50 0 EIAAMO CN(C)c1nc(Cl)c(C[N@H+](C)[C@H]2CCCc3ccccc32)s1 ZINC000072149163 216036425 /nfs/dbraw/zinc/03/64/25/216036425.db2.gz XMUQCNCBQVIYFL-AWEZNQCLSA-N 1 1 335.904 4.372 50 0 EIAAMO CN(C)c1nc(Cl)c(C[N@@H+](C)[C@H]2CCCc3ccccc32)s1 ZINC000072149163 216036428 /nfs/dbraw/zinc/03/64/28/216036428.db2.gz XMUQCNCBQVIYFL-AWEZNQCLSA-N 1 1 335.904 4.372 50 0 EIAAMO COc1cc(F)c(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)cc1OC ZINC000072166777 216055094 /nfs/dbraw/zinc/05/50/94/216055094.db2.gz WYJLJZKUFFVKID-KRWDZBQOSA-N 1 1 333.378 4.319 50 0 EIAAMO COc1cc(F)c(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)cc1OC ZINC000072166777 216055099 /nfs/dbraw/zinc/05/50/99/216055099.db2.gz WYJLJZKUFFVKID-KRWDZBQOSA-N 1 1 333.378 4.319 50 0 EIAAMO Cc1cccc([C@H]2CCC[N@@H+](Cc3cnc(-c4ccco4)nc3)C2)c1 ZINC000072412015 216204268 /nfs/dbraw/zinc/20/42/68/216204268.db2.gz RHIJEFZXNNXKET-IBGZPJMESA-N 1 1 333.435 4.425 50 0 EIAAMO COc1cccc([C@H]2CCC[N@H+]2Cc2cccc(Cn3cccn3)c2)c1 ZINC000072422757 216212162 /nfs/dbraw/zinc/21/21/62/216212162.db2.gz NESKCLXIDZJXQF-JOCHJYFZSA-N 1 1 347.462 4.277 50 0 EIAAMO O=C(Cc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000072447791 216237153 /nfs/dbraw/zinc/23/71/53/216237153.db2.gz UEQXIIHLXOAPPX-HXUWFJFHSA-N 1 1 332.447 4.192 50 0 EIAAMO COc1cccc2ccc(C[N@H+]3CC[C@H](c4ccccc4F)C3)nc21 ZINC000072480057 216260183 /nfs/dbraw/zinc/26/01/83/216260183.db2.gz WSJPQTQNOUHHNR-INIZCTEOSA-N 1 1 336.410 4.372 50 0 EIAAMO C[N@@H+](CCC(=O)Nc1ccccc1Cl)[C@H]1CCc2ccccc21 ZINC000026915746 212540109 /nfs/dbraw/zinc/54/01/09/212540109.db2.gz QAJOMRQOPAKEAP-SFHVURJKSA-N 1 1 328.843 4.288 50 0 EIAAMO C[NH+](C)CCNCc1c(OCc2ccccc2)ccc2ccccc21 ZINC000022075211 212276388 /nfs/dbraw/zinc/27/63/88/212276388.db2.gz 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ZINC000229720084 242193648 /nfs/dbraw/zinc/19/36/48/242193648.db2.gz WHBXSBHMXCHYER-GDBMZVCRSA-N 1 1 328.843 4.157 50 0 EIAAMO C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000229720084 242193653 /nfs/dbraw/zinc/19/36/53/242193653.db2.gz WHBXSBHMXCHYER-GDBMZVCRSA-N 1 1 328.843 4.157 50 0 EIAAMO CCCO[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cc3ccccc3o2)C1 ZINC000020992809 212194886 /nfs/dbraw/zinc/19/48/86/212194886.db2.gz WLZGUDQGGDIPGB-KRWDZBQOSA-N 1 1 339.439 4.214 50 0 EIAAMO CC[NH+]1CCN(CCCCOc2c(Cl)ccc3ccccc32)CC1 ZINC000020406264 212125913 /nfs/dbraw/zinc/12/59/13/212125913.db2.gz RHDHFKCOMRFDCE-UHFFFAOYSA-N 1 1 346.902 4.290 50 0 EIAAMO Cc1oc(-c2ccoc2)nc1C[N@@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000019795038 212069299 /nfs/dbraw/zinc/06/92/99/212069299.db2.gz XEKKJFQYGQVUFU-UHFFFAOYSA-N 1 1 348.406 4.061 50 0 EIAAMO Cc1oc(-c2ccoc2)nc1C[N@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000019795038 212069302 /nfs/dbraw/zinc/06/93/02/212069302.db2.gz XEKKJFQYGQVUFU-UHFFFAOYSA-N 1 1 348.406 4.061 50 0 EIAAMO COc1ccc2[nH+]cc(C(=O)c3ccc(C)cc3)c(N3CCCC3)c2c1 ZINC000049421498 214007072 /nfs/dbraw/zinc/00/70/72/214007072.db2.gz ZXNQAXHRAODCQP-UHFFFAOYSA-N 1 1 346.430 4.383 50 0 EIAAMO Cc1cc(C)cc(C(=O)c2ccccc2C[NH+]2CCSCC2)c1 ZINC000085651668 217681028 /nfs/dbraw/zinc/68/10/28/217681028.db2.gz LUXSFINEUAQKJQ-UHFFFAOYSA-N 1 1 325.477 4.083 50 0 EIAAMO c1ccc(Cc2noc(C[N@H+]3CC[C@H](C4CCCCC4)C3)n2)cc1 ZINC000012297443 211334696 /nfs/dbraw/zinc/33/46/96/211334696.db2.gz LXRRFZRRYIHCPT-SFHVURJKSA-N 1 1 325.456 4.063 50 0 EIAAMO Cc1cccc(C[N@@H+]2CCOc3c(O)cc(-c4ccccn4)cc3C2)c1 ZINC000012243592 211330458 /nfs/dbraw/zinc/33/04/58/211330458.db2.gz JCFLSAIZKFEXMD-UHFFFAOYSA-N 1 1 346.430 4.157 50 0 EIAAMO Cc1cccc(C[N@H+]2CCOc3c(O)cc(-c4ccccn4)cc3C2)c1 ZINC000012243592 211330461 /nfs/dbraw/zinc/33/04/61/211330461.db2.gz JCFLSAIZKFEXMD-UHFFFAOYSA-N 1 1 346.430 4.157 50 0 EIAAMO COCC[C@@H]1CCCC[N@H+]1Cc1c[nH]nc1-c1ccc(C)c(C)c1 ZINC000011936478 211272499 /nfs/dbraw/zinc/27/24/99/211272499.db2.gz 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218977282 /nfs/dbraw/zinc/97/72/82/218977282.db2.gz QZQJEMFGEJTLOZ-UHFFFAOYSA-N 1 1 326.469 4.121 50 0 EIAAMO Brc1ccc(-c2ccc(C[NH2+]Cc3ccccn3)o2)cc1 ZINC000004942902 210334352 /nfs/dbraw/zinc/33/43/52/210334352.db2.gz ITNPZTLDJCPSBZ-UHFFFAOYSA-N 1 1 343.224 4.394 50 0 EIAAMO C[C@@H]1CCC[N@@H+](CCOCCOc2ccccc2-c2ccccc2)C1 ZINC000004907493 210318653 /nfs/dbraw/zinc/31/86/53/210318653.db2.gz PSCYBUVYHUPSDO-LJQANCHMSA-N 1 1 339.479 4.481 50 0 EIAAMO C[C@@H]1C[C@H](C)C[N@H+](CCOCCOc2cccc3ccccc32)C1 ZINC000004907330 210318758 /nfs/dbraw/zinc/31/87/58/210318758.db2.gz WRHRLSUFTVSSCS-HDICACEKSA-N 1 1 327.468 4.213 50 0 EIAAMO O=C([C@@H]1CCC[N@@H+](Cc2cccc3ccccc32)C1)N1CCCCC1 ZINC000004746203 210269172 /nfs/dbraw/zinc/26/91/72/210269172.db2.gz DKAZKQVGVCZXNP-HXUWFJFHSA-N 1 1 336.479 4.064 50 0 EIAAMO COc1ccccc1[C@@H]1C[N@H+](Cc2ccco2)Cc2ccccc2O1 ZINC000299776023 258086600 /nfs/dbraw/zinc/08/66/00/258086600.db2.gz MRRZTQADEHDRTO-NRFANRHFSA-N 1 1 335.403 4.424 50 0 EIAAMO COc1ccccc1[C@@H]1C[N@@H+](Cc2ccco2)Cc2ccccc2O1 ZINC000299776023 258086602 /nfs/dbraw/zinc/08/66/02/258086602.db2.gz MRRZTQADEHDRTO-NRFANRHFSA-N 1 1 335.403 4.424 50 0 EIAAMO CC[C@@H]1C[N@@H+](Cc2cccc3cccnc32)Cc2cc(OC)ccc2O1 ZINC000299767054 258081244 /nfs/dbraw/zinc/08/12/44/258081244.db2.gz BLOUNCBUOBHQQZ-LJQANCHMSA-N 1 1 348.446 4.417 50 0 EIAAMO CC(C)=CCC/C(C)=C/C[N@H+]1CCCn2nc([C@H](O)C3CC3)cc2C1 ZINC000219018016 535346396 /nfs/dbraw/zinc/34/63/96/535346396.db2.gz RBEWMZCBLKEWJC-AKCCUMBPSA-N 1 1 343.515 4.225 50 0 EIAAMO COc1ccc(N(C(=O)c2ccccc2)C2=C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000001198898 563378795 /nfs/dbraw/zinc/37/87/95/563378795.db2.gz HVSYUYPUZPNNHK-MOPGFXCFSA-N 1 1 348.446 4.092 50 0 EIAAMO COc1ccc([C@H]2C[N@@H+](C)C[C@H]2C(=O)c2ccc(F)cc2)cc1Cl ZINC000006639238 563575850 /nfs/dbraw/zinc/57/58/50/563575850.db2.gz GTKAIZJKINJBJB-HZPDHXFCSA-N 1 1 347.817 4.016 50 0 EIAAMO COCc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)o1 ZINC000012580273 563663899 /nfs/dbraw/zinc/66/38/99/563663899.db2.gz XKYKDEIQEXVBEH-OAHLLOKOSA-N 1 1 347.842 4.174 50 0 EIAAMO COCc1ccc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)o1 ZINC000012580273 563663900 /nfs/dbraw/zinc/66/39/00/563663900.db2.gz XKYKDEIQEXVBEH-OAHLLOKOSA-N 1 1 347.842 4.174 50 0 EIAAMO O=C(C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000013055724 563686313 /nfs/dbraw/zinc/68/63/13/563686313.db2.gz OIWCBYBVRZEGJY-CHWSQXEVSA-N 1 1 341.282 4.444 50 0 EIAAMO O=C(C[N@H+]1CC[C@H]2CCCC[C@@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000013055724 563686315 /nfs/dbraw/zinc/68/63/15/563686315.db2.gz OIWCBYBVRZEGJY-CHWSQXEVSA-N 1 1 341.282 4.444 50 0 EIAAMO Cc1ccc(C[N@H+]2CCC[C@H](C(=O)NCCC3=CCCCC3)C2)cc1 ZINC000013945735 563732549 /nfs/dbraw/zinc/73/25/49/563732549.db2.gz XEDJJHNVACNXON-NRFANRHFSA-N 1 1 340.511 4.214 50 0 EIAAMO COc1ccc(C[N@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)cc1 ZINC000014955883 563768127 /nfs/dbraw/zinc/76/81/27/563768127.db2.gz MKVMXKRCNXAQIR-KRWDZBQOSA-N 1 1 343.854 4.444 50 0 EIAAMO CSc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccc(O)cc3)C2)cc1 ZINC000014960729 563768548 /nfs/dbraw/zinc/76/85/48/563768548.db2.gz HFGABUYPFWXEFG-KRWDZBQOSA-N 1 1 341.476 4.209 50 0 EIAAMO CC(C)=CCC[C@H](C)C[N@@H+]1CCc2nnc(-c3ccccc3)n2CC1 ZINC000015005083 563771452 /nfs/dbraw/zinc/77/14/52/563771452.db2.gz GZNUXWUPCHSEKC-SFHVURJKSA-N 1 1 338.499 4.186 50 0 EIAAMO CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(N(CC)C(C)C)cc1 ZINC000015256482 563780645 /nfs/dbraw/zinc/78/06/45/563780645.db2.gz KCCXMAVTDNUQDR-GOSISDBHSA-N 1 1 331.504 4.124 50 0 EIAAMO CCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)CC(C)C)ccc21 ZINC000016648210 563819002 /nfs/dbraw/zinc/81/90/02/563819002.db2.gz OHIQESGUBGGREE-UHFFFAOYSA-N 1 1 342.487 4.027 50 0 EIAAMO Fc1ccc(-c2noc(C[N@H+]3CCC[C@H]3Cc3ccccc3)n2)cc1 ZINC000025358827 563883779 /nfs/dbraw/zinc/88/37/79/563883779.db2.gz IPWSEECHASZGCW-SFHVURJKSA-N 1 1 337.398 4.083 50 0 EIAAMO c1cn(-c2ccc(C[NH2+][C@@H](c3ccccc3)c3ccccn3)cc2)cn1 ZINC000025363906 563883948 /nfs/dbraw/zinc/88/39/48/563883948.db2.gz GLRVLETWZHHSGS-QFIPXVFZSA-N 1 1 340.430 4.147 50 0 EIAAMO c1cn(-c2ccc(C[NH2+][C@H](c3ccccc3)c3ccccn3)cc2)cn1 ZINC000025363910 563884069 /nfs/dbraw/zinc/88/40/69/563884069.db2.gz GLRVLETWZHHSGS-JOCHJYFZSA-N 1 1 340.430 4.147 50 0 EIAAMO CN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000025679388 563887376 /nfs/dbraw/zinc/88/73/76/563887376.db2.gz VYXTZXFLSJBIEM-NRFANRHFSA-N 1 1 332.447 4.101 50 0 EIAAMO CN(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000025679388 563887379 /nfs/dbraw/zinc/88/73/79/563887379.db2.gz VYXTZXFLSJBIEM-NRFANRHFSA-N 1 1 332.447 4.101 50 0 EIAAMO COc1ccccc1[C@H](C)[N@@H+](C)CCC(=O)Nc1ccccc1Cl ZINC000026334717 563891150 /nfs/dbraw/zinc/89/11/50/563891150.db2.gz VSIBVZDRBWHSPF-AWEZNQCLSA-N 1 1 346.858 4.370 50 0 EIAAMO CCN(C(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)cc1)c1ccccc1C ZINC000058029530 563936879 /nfs/dbraw/zinc/93/68/79/563936879.db2.gz AHPIEUPYWZQXCC-FQEVSTJZSA-N 1 1 340.442 4.324 50 0 EIAAMO CCN(C(=O)C[N@H+]1CCC[C@H]1c1ccc(F)cc1)c1ccccc1C 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330.428 4.152 50 0 EIAAMO CC(=O)Nc1ccc(Nc2cc(C)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000064801173 563957228 /nfs/dbraw/zinc/95/72/28/563957228.db2.gz UPPGLJSEVACQPP-UHFFFAOYSA-N 1 1 339.443 4.232 50 0 EIAAMO Cc1oc(-c2ccc3ccccc3c2)nc1C[N@H+]1CCC[C@@H](CO)C1 ZINC000071707918 563964767 /nfs/dbraw/zinc/96/47/67/563964767.db2.gz XBHADYVJZHULPH-MRXNPFEDSA-N 1 1 336.435 4.008 50 0 EIAAMO FC(F)(F)c1cccc(CC[C@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)c1 ZINC000071735498 563964862 /nfs/dbraw/zinc/96/48/62/563964862.db2.gz KZNDHRIFEROQJX-OAHLLOKOSA-N 1 1 337.389 4.273 50 0 EIAAMO COc1ccc(O)cc1C[N@H+]1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000071736534 563964938 /nfs/dbraw/zinc/96/49/38/563964938.db2.gz KSKJWNDJMPZQIC-QGZVFWFLSA-N 1 1 343.442 4.385 50 0 EIAAMO c1cnn(CC[C@@H]2CCCC[N@H+]2Cc2cncn2C2CCCCC2)c1 ZINC000077393429 563969445 /nfs/dbraw/zinc/96/94/45/563969445.db2.gz JEBVBLWPFRDZSZ-SFHVURJKSA-N 1 1 341.503 4.030 50 0 EIAAMO Clc1ccc(-c2csc(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)n2)cc1 ZINC000245289831 563971900 /nfs/dbraw/zinc/97/19/00/563971900.db2.gz FKLACJKOWPDBLI-HOTGVXAUSA-N 1 1 347.915 4.180 50 0 EIAAMO Cc1cccc(OCCn2c3ccccc3nc2C[NH+]2CCCCC2)c1 ZINC000005209322 564000659 /nfs/dbraw/zinc/00/06/59/564000659.db2.gz PFJCAMDWFZWLMU-UHFFFAOYSA-N 1 1 349.478 4.410 50 0 EIAAMO C[C@H]([NH2+][C@@H](c1ccco1)c1ccccc1)c1ccc([S@](C)=O)cc1 ZINC000108112419 564027764 /nfs/dbraw/zinc/02/77/64/564027764.db2.gz DUAPMYXHDMWETO-PFTWBPNJSA-N 1 1 339.460 4.457 50 0 EIAAMO O=C(CC[N@H+]1CCC[C@@H]1c1ccsc1)Nc1ccc2c(c1)CCC2 ZINC000048263557 564030352 /nfs/dbraw/zinc/03/03/52/564030352.db2.gz WIXAJBQJHPVRTD-LJQANCHMSA-N 1 1 340.492 4.403 50 0 EIAAMO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl ZINC000024807899 564036715 /nfs/dbraw/zinc/03/67/15/564036715.db2.gz ALAQHBOVNLNLBQ-NEPJUHHUSA-N 1 1 343.298 4.481 50 0 EIAAMO COc1ccc(Br)cc1C[NH2+][C@@H]1CCOc2ccccc21 ZINC000025356996 564037167 /nfs/dbraw/zinc/03/71/67/564037167.db2.gz WEILFKJMEHAYDB-OAHLLOKOSA-N 1 1 348.240 4.071 50 0 EIAAMO C[N@@H+]1CCO[C@]12CC[C@@H]1[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000248008809 564052894 /nfs/dbraw/zinc/05/28/94/564052894.db2.gz CZGMCXMFKOCFDA-PVDCFTIDSA-N 1 1 347.543 4.048 50 0 EIAAMO C[N@H+]1CCO[C@]12CC[C@@H]1[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000248008809 564052895 /nfs/dbraw/zinc/05/28/95/564052895.db2.gz CZGMCXMFKOCFDA-PVDCFTIDSA-N 1 1 347.543 4.048 50 0 EIAAMO CN(C)C(=O)c1ccc(C[N@@H+]2CCCCC[C@H]2c2cccc(F)c2)o1 ZINC000252485269 564053404 /nfs/dbraw/zinc/05/34/04/564053404.db2.gz GPWTTWFKKIDXRM-SFHVURJKSA-N 1 1 344.430 4.238 50 0 EIAAMO CN(C)C(=O)c1ccc(C[N@H+]2CCCCC[C@H]2c2cccc(F)c2)o1 ZINC000252485269 564053405 /nfs/dbraw/zinc/05/34/05/564053405.db2.gz GPWTTWFKKIDXRM-SFHVURJKSA-N 1 1 344.430 4.238 50 0 EIAAMO Cc1ccc(OCCn2c3ccccc3nc2C[NH+]2CCCC2)c(C)c1 ZINC000082086950 564056223 /nfs/dbraw/zinc/05/62/23/564056223.db2.gz MHSTVSGDTSBZJK-UHFFFAOYSA-N 1 1 349.478 4.328 50 0 EIAAMO CC(C)[N@@H+](C)CC(=O)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000063465443 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C[N@@H+](CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)(C)C ZINC000002224179 564124086 /nfs/dbraw/zinc/12/40/86/564124086.db2.gz SUZPZFIHBRSYJQ-UHFFFAOYSA-N 1 1 339.435 4.198 50 0 EIAAMO CC[C@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1ncc(C)s1 ZINC000095437381 564140437 /nfs/dbraw/zinc/14/04/37/564140437.db2.gz OOHGZGZROIIFDX-LBPRGKRZSA-N 1 1 330.375 4.433 50 0 EIAAMO Clc1ccc(C[N@@H+]2CCCN(c3ncccc3Cl)CC2)cc1 ZINC000095946987 564142278 /nfs/dbraw/zinc/14/22/78/564142278.db2.gz VHEFGBZUSRAYAA-UHFFFAOYSA-N 1 1 336.266 4.101 50 0 EIAAMO Clc1ccc(C[N@H+]2CCCN(c3ncccc3Cl)CC2)cc1 ZINC000095946987 564142279 /nfs/dbraw/zinc/14/22/79/564142279.db2.gz VHEFGBZUSRAYAA-UHFFFAOYSA-N 1 1 336.266 4.101 50 0 EIAAMO COC[C@H]([NH2+][C@@H](C)c1cncc(F)c1)c1cccc(C(F)(F)F)c1 ZINC000095968160 564143131 /nfs/dbraw/zinc/14/31/31/564143131.db2.gz CZPSIDRYUDOPTP-ZBEGNZNMSA-N 1 1 342.336 4.278 50 0 EIAAMO C[C@](O)(C[N@@H+]1CC=C(c2cncc3ccccc32)CC1)c1ccccc1 ZINC000096012871 564144761 /nfs/dbraw/zinc/14/47/61/564144761.db2.gz 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4.407 50 0 EIAAMO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+](C)Cc1cccc(Cl)c1 ZINC000008532154 564165601 /nfs/dbraw/zinc/16/56/01/564165601.db2.gz OTBGQMDBMGVHNO-LLVKDONJSA-N 1 1 338.785 4.077 50 0 EIAAMO C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000008532154 564165602 /nfs/dbraw/zinc/16/56/02/564165602.db2.gz OTBGQMDBMGVHNO-LLVKDONJSA-N 1 1 338.785 4.077 50 0 EIAAMO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000245237679 564168811 /nfs/dbraw/zinc/16/88/11/564168811.db2.gz QLLGRFSREQQRPP-JLSDUUJJSA-N 1 1 334.891 4.172 50 0 EIAAMO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000245237679 564168812 /nfs/dbraw/zinc/16/88/12/564168812.db2.gz QLLGRFSREQQRPP-JLSDUUJJSA-N 1 1 334.891 4.172 50 0 EIAAMO c1ccc2oc([C@H]3CCC[N@H+](Cc4ccc5c(c4)CCO5)C3)nc2c1 ZINC000109829705 1030971543 /nfs/dbraw/zinc/97/15/43/1030971543.db2.gz MKBJQSRHUSWVHE-KRWDZBQOSA-N 1 1 334.419 4.142 50 0 EIAAMO C[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000623208803 1039725566 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EIAAMO CC(C)=CCC[C@@H](C)CC[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000005528852 1046390545 /nfs/dbraw/zinc/39/05/45/1046390545.db2.gz LWGWUPUIDWATSH-QRVBRYPASA-N 1 1 328.500 4.040 50 0 EIAAMO Cc1cc2[nH]c(C[N@H+]3CCC[C@](O)(C(F)(F)F)CC3)cc2c(C)c1 ZINC000952846313 1049677192 /nfs/dbraw/zinc/67/71/92/1049677192.db2.gz ZHCKNGFRRWSROM-QGZVFWFLSA-N 1 1 340.389 4.064 50 0 EIAAMO C[C@H](c1cccnc1)[N@@H+](C)C1CCN(c2ccc(Cl)cc2)CC1 ZINC000952869210 1049678650 /nfs/dbraw/zinc/67/86/50/1049678650.db2.gz GCIXMUYTPHSOPJ-OAHLLOKOSA-N 1 1 329.875 4.397 50 0 EIAAMO Cc1cnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1Cc1ccccc1 ZINC000581815757 1060021872 /nfs/dbraw/zinc/02/18/72/1060021872.db2.gz IHWXTPDTNSXNIT-NRFANRHFSA-N 1 1 331.463 4.229 50 0 EIAAMO CCCn1c(C)c[nH+]c1C[C@H]1CCCN(C(=O)CCC2CCCC2)C1 ZINC000581815465 1060022810 /nfs/dbraw/zinc/02/28/10/1060022810.db2.gz DCVXSFIYBZHUND-LJQANCHMSA-N 1 1 345.531 4.353 50 0 EIAAMO Cc1nc(C2CC[NH+](Cc3[nH]c4c(cccc4Cl)c3C)CC2)no1 ZINC000097660390 219046282 /nfs/dbraw/zinc/04/62/82/219046282.db2.gz URASKZDHFYDICE-UHFFFAOYSA-N 1 1 344.846 4.201 50 0 EIAAMO c1nn2cc(C[N@@H+]3CC[C@H]3c3ccccc3)cnc2c1-c1ccccc1 ZINC000097681909 219047699 /nfs/dbraw/zinc/04/76/99/219047699.db2.gz WXNHFOFJPISDNA-NRFANRHFSA-N 1 1 340.430 4.343 50 0 EIAAMO c1nn2cc(C[N@H+]3CC[C@H]3c3ccccc3)cnc2c1-c1ccccc1 ZINC000097681909 219047701 /nfs/dbraw/zinc/04/77/01/219047701.db2.gz WXNHFOFJPISDNA-NRFANRHFSA-N 1 1 340.430 4.343 50 0 EIAAMO Clc1cccc2ccc(C[N@H+]3CCC[C@@H](c4ccncn4)C3)nc12 ZINC000097694971 219048510 /nfs/dbraw/zinc/04/85/10/219048510.db2.gz JRBDSNAVCJZIBC-OAHLLOKOSA-N 1 1 338.842 4.058 50 0 EIAAMO CC[C@@H](C)[N@@H+](Cc1cccnc1)Cc1ccc2c(C)cc(=O)oc2c1 ZINC000055074661 214269497 /nfs/dbraw/zinc/26/94/97/214269497.db2.gz OPLJGJXGJSOONA-MRXNPFEDSA-N 1 1 336.435 4.297 50 0 EIAAMO C(=C/c1ccco1)\C[N@H+](Cc1cccnc1)Cc1ccc2c(c1)OCO2 ZINC000055271624 214299751 /nfs/dbraw/zinc/29/97/51/214299751.db2.gz FUYRNMLVVMHVHB-GORDUTHDSA-N 1 1 348.402 4.119 50 0 EIAAMO C(=C/c1ccco1)\C[N@@H+](Cc1cccnc1)Cc1ccc2c(c1)OCO2 ZINC000055271624 214299754 /nfs/dbraw/zinc/29/97/54/214299754.db2.gz FUYRNMLVVMHVHB-GORDUTHDSA-N 1 1 348.402 4.119 50 0 EIAAMO CC[C@@H](O)C[N@@H+](CCC(C)C)Cc1cccn1Cc1ccc(F)cc1 ZINC000004591331 210229255 /nfs/dbraw/zinc/22/92/55/210229255.db2.gz HTGJQZVDWVTSPY-OAQYLSRUSA-N 1 1 346.490 4.295 50 0 EIAAMO CCC[C@@H](O)C[N@H+](Cc1cccn1Cc1ccccc1C)CC(C)C ZINC000004507782 210208850 /nfs/dbraw/zinc/20/88/50/210208850.db2.gz JLDAJWGHDKOWMU-JOCHJYFZSA-N 1 1 342.527 4.464 50 0 EIAAMO C[N@@H+]1[C@@H](CC(=O)c2ccccc2)CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000003831004 210079009 /nfs/dbraw/zinc/07/90/09/210079009.db2.gz MXYUKLILVYORSK-NJYVYQBISA-N 1 1 337.463 4.236 50 0 biogenic,world EIAAMO C[NH+](C)[C@@H](CNC(=O)c1sc2ccccc2c1Cl)c1ccco1 ZINC000003410844 210031943 /nfs/dbraw/zinc/03/19/43/210031943.db2.gz ZBEHYVVZNMJJGV-LBPRGKRZSA-N 1 1 348.855 4.180 50 0 EIAAMO CC(C)(C)OC(=O)NCc1cccc2c1C[N@H+](Cc1ccccc1)C2 ZINC000067173931 215120156 /nfs/dbraw/zinc/12/01/56/215120156.db2.gz KOJVASDSGCZJSI-UHFFFAOYSA-N 1 1 338.451 4.227 50 0 EIAAMO CC(C)(C)OC(=O)NCc1cccc2c1C[N@@H+](Cc1ccccc1)C2 ZINC000067173931 215120159 /nfs/dbraw/zinc/12/01/59/215120159.db2.gz KOJVASDSGCZJSI-UHFFFAOYSA-N 1 1 338.451 4.227 50 0 EIAAMO CCC[C@H](C)[N@@H+](CC)Cc1ccccc1-c1nc(C2CC2)cc(=O)[nH]1 ZINC000067641841 215172163 /nfs/dbraw/zinc/17/21/63/215172163.db2.gz CFWQDTGAGGXALV-HNNXBMFYSA-N 1 1 339.483 4.325 50 0 EIAAMO C[N@H+]1CCC=C([C@H]2CCCCN2C(=O)c2cc3ccccc3s2)C1 ZINC000067677058 215182733 /nfs/dbraw/zinc/18/27/33/215182733.db2.gz HHKWVUWLUWFRHA-QGZVFWFLSA-N 1 1 340.492 4.158 50 0 EIAAMO Cc1ccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](Cc3ccc(O)cc3)C2)cc1 ZINC000067691673 215186044 /nfs/dbraw/zinc/18/60/44/215186044.db2.gz MGEDQPGACPZYKD-IBGZPJMESA-N 1 1 347.462 4.470 50 0 EIAAMO CC[C@@H]1CCCC[N@H+]1CCCNc1[nH]c(=S)nc2ccccc21 ZINC000002932959 209943960 /nfs/dbraw/zinc/94/39/60/209943960.db2.gz VBJFOKPYANPXPU-CQSZACIVSA-N 1 1 330.501 4.359 50 0 EIAAMO Cc1nc([C@H](C)[N@H+](C)Cc2ccc(-n3ccnc3)cc2)c(C)s1 ZINC000067803430 215215571 /nfs/dbraw/zinc/21/55/71/215215571.db2.gz IYXIPVVZTIYXLY-ZDUSSCGKSA-N 1 1 326.469 4.139 50 0 EIAAMO Cc1nc([C@H](C)[N@@H+](C)Cc2ccc(-n3ccnc3)cc2)c(C)s1 ZINC000067803430 215215574 /nfs/dbraw/zinc/21/55/74/215215574.db2.gz IYXIPVVZTIYXLY-ZDUSSCGKSA-N 1 1 326.469 4.139 50 0 EIAAMO Cc1ccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000067880814 215239762 /nfs/dbraw/zinc/23/97/62/215239762.db2.gz HONGZFVMIKOHBP-IBGZPJMESA-N 1 1 332.451 4.160 50 0 EIAAMO COc1cc(C)c(-c2nc(Cn3cc(C)[nH+]c3C)c(C)o2)cc1C ZINC000067946851 215256399 /nfs/dbraw/zinc/25/63/99/215256399.db2.gz CETBRYXEQDSEJQ-UHFFFAOYSA-N 1 1 325.412 4.137 50 0 EIAAMO CCC/C=C/C[N@H+]1CCC[C@@]2(CCN(C(=O)C3CCCCC3)C2)C1 ZINC000067983370 215267752 /nfs/dbraw/zinc/26/77/52/215267752.db2.gz LKFHWTGYFOMEGV-FAZYEBOESA-N 1 1 332.532 4.238 50 0 EIAAMO CC[C@H]([NH2+]Cc1nc(-c2ccc(F)cc2)no1)c1ccc(OC)cc1 ZINC000040012138 213250368 /nfs/dbraw/zinc/25/03/68/213250368.db2.gz AEFWAZPKCOPZCO-KRWDZBQOSA-N 1 1 341.386 4.125 50 0 EIAAMO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000036447638 213098460 /nfs/dbraw/zinc/09/84/60/213098460.db2.gz GUCJIVSKSFFESF-DYVFJYSZSA-N 1 1 346.471 4.074 50 0 EIAAMO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000036447638 213098464 /nfs/dbraw/zinc/09/84/64/213098464.db2.gz GUCJIVSKSFFESF-DYVFJYSZSA-N 1 1 346.471 4.074 50 0 EIAAMO Cc1ccccc1C[N@H+](Cc1ccccc1)C[C@@H](O)COCC(C)C ZINC000036104432 213069080 /nfs/dbraw/zinc/06/90/80/213069080.db2.gz HGLGIIGXLBHRNF-JOCHJYFZSA-N 1 1 341.495 4.031 50 0 EIAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)CC(C)C ZINC000036095390 213063622 /nfs/dbraw/zinc/06/36/22/213063622.db2.gz PWKRUDKAPRGJSX-HXUWFJFHSA-N 1 1 345.458 4.032 50 0 EIAAMO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C)no2)cc1OCC ZINC000035511240 213035701 /nfs/dbraw/zinc/03/57/01/213035701.db2.gz FENVMFKDBXXJJT-INIZCTEOSA-N 1 1 330.428 4.118 50 0 EIAAMO CCOc1ccc(C[N@H+]2CCC[C@H]2c2cc(C)no2)cc1OCC ZINC000035511240 213035704 /nfs/dbraw/zinc/03/57/04/213035704.db2.gz FENVMFKDBXXJJT-INIZCTEOSA-N 1 1 330.428 4.118 50 0 EIAAMO COc1ccc(O)cc1C[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000072145687 216032550 /nfs/dbraw/zinc/03/25/50/216032550.db2.gz OSVCQTROHROCLO-UHFFFAOYSA-N 1 1 347.842 4.098 50 0 EIAAMO CN(C)c1nc(Cl)c(C[N@H+](C)Cc2cccc3ncccc23)s1 ZINC000072154664 216043568 /nfs/dbraw/zinc/04/35/68/216043568.db2.gz HXRVNQWUOWZMNV-UHFFFAOYSA-N 1 1 346.887 4.043 50 0 EIAAMO CN(C)c1nc(Cl)c(C[N@@H+](C)Cc2cccc3ncccc23)s1 ZINC000072154664 216043571 /nfs/dbraw/zinc/04/35/71/216043571.db2.gz HXRVNQWUOWZMNV-UHFFFAOYSA-N 1 1 346.887 4.043 50 0 EIAAMO Cc1nccn1C[C@@H]1CCC[N@@H+](Cc2ccc(-c3cccnc3)cc2)C1 ZINC000072167622 216057896 /nfs/dbraw/zinc/05/78/96/216057896.db2.gz KPPGPOHXHWUZOM-HXUWFJFHSA-N 1 1 346.478 4.166 50 0 EIAAMO Fc1ccccc1C[N@H+]1CCC[C@@H](Nc2ccc3ccccc3n2)C1 ZINC000072425772 216215921 /nfs/dbraw/zinc/21/59/21/216215921.db2.gz GBCSMMWBZLLRPL-GOSISDBHSA-N 1 1 335.426 4.450 50 0 EIAAMO O=C(Cc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc(O)c(Cl)c2)C1 ZINC000072481346 216262008 /nfs/dbraw/zinc/26/20/08/216262008.db2.gz IICOZBZBHUCURZ-QGZVFWFLSA-N 1 1 343.854 4.069 50 0 EIAAMO O=C(Cc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccc(O)c(Cl)c2)C1 ZINC000072481346 216262010 /nfs/dbraw/zinc/26/20/10/216262010.db2.gz IICOZBZBHUCURZ-QGZVFWFLSA-N 1 1 343.854 4.069 50 0 EIAAMO Cc1cnc(C[N@@H+]2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)o1 ZINC000072632749 216285147 /nfs/dbraw/zinc/28/51/47/216285147.db2.gz QZYLYJWBCTXDPC-INIZCTEOSA-N 1 1 338.455 4.293 50 0 EIAAMO C[N@H+](Cn1c2ccccc2oc1=O)C(c1ccccc1)c1ccccc1 ZINC000023053672 212344264 /nfs/dbraw/zinc/34/42/64/212344264.db2.gz WFGFXMYHFRMREH-UHFFFAOYSA-N 1 1 344.414 4.273 50 0 EIAAMO C[N@@H+](Cn1c2ccccc2oc1=O)C(c1ccccc1)c1ccccc1 ZINC000023053672 212344266 /nfs/dbraw/zinc/34/42/66/212344266.db2.gz WFGFXMYHFRMREH-UHFFFAOYSA-N 1 1 344.414 4.273 50 0 EIAAMO Fc1ccc(CN2CC[N@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)cc1F ZINC000022876373 212331915 /nfs/dbraw/zinc/33/19/15/212331915.db2.gz PAVUUPCGSDKDRN-WOJBJXKFSA-N 1 1 334.454 4.194 50 0 EIAAMO Cc1ncsc1CC[N@H+](C)Cc1ccc([C@H]2CCCCO2)s1 ZINC000215004817 241098498 /nfs/dbraw/zinc/09/84/98/241098498.db2.gz LUUAEGMCBUSCML-OAHLLOKOSA-N 1 1 336.526 4.429 50 0 EIAAMO CO[C@H]1CC[N@@H+](Cc2cccc(OCc3c(F)cccc3Cl)c2)C1 ZINC000215088060 241104584 /nfs/dbraw/zinc/10/45/84/241104584.db2.gz LUCZTZXMPHRMHA-INIZCTEOSA-N 1 1 349.833 4.279 50 0 EIAAMO COC[C@@H]1CCCC[N@H+]1Cc1ccc(OCC=C(C)C)c(OC)c1 ZINC000215822329 241146634 /nfs/dbraw/zinc/14/66/34/241146634.db2.gz WEAACGXPQBHJNE-SFHVURJKSA-N 1 1 333.472 4.041 50 0 EIAAMO COCC[N@H+](Cc1ccc(-c2ccccc2)s1)C[C@@H]1CCCO1 ZINC000216149490 241166421 /nfs/dbraw/zinc/16/64/21/241166421.db2.gz XXUZWRAKBVIFCR-KRWDZBQOSA-N 1 1 331.481 4.043 50 0 EIAAMO COCC[N@H+](Cc1ccc(-c2ccccc2)s1)C[C@H]1CCCO1 ZINC000216149536 241166993 /nfs/dbraw/zinc/16/69/93/241166993.db2.gz XXUZWRAKBVIFCR-QGZVFWFLSA-N 1 1 331.481 4.043 50 0 EIAAMO Cc1nc2ccccn2c1C[N@H+](C)Cc1ccc([C@@H]2CCCO2)s1 ZINC000216438782 241191666 /nfs/dbraw/zinc/19/16/66/241191666.db2.gz RYAJCHRXTKIVCV-KRWDZBQOSA-N 1 1 341.480 4.188 50 0 EIAAMO Cc1nc2ccccn2c1C[N@@H+](C)Cc1ccc([C@@H]2CCCO2)s1 ZINC000216438782 241191671 /nfs/dbraw/zinc/19/16/71/241191671.db2.gz RYAJCHRXTKIVCV-KRWDZBQOSA-N 1 1 341.480 4.188 50 0 EIAAMO Cc1cc(C)n2ncc(C[N@H+]3CCC[C@@H](c4ccccc4C)C3)c2n1 ZINC000216499480 241198817 /nfs/dbraw/zinc/19/88/17/241198817.db2.gz SJMXBLOJSICKPF-GOSISDBHSA-N 1 1 334.467 4.034 50 0 EIAAMO Fc1cccc(-c2n[nH]cc2C[N@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC000215509728 241128161 /nfs/dbraw/zinc/12/81/61/241128161.db2.gz ASXDYRAOBPRYAU-IBGZPJMESA-N 1 1 336.414 4.338 50 0 EIAAMO Fc1cccc(-c2n[nH]cc2C[N@H+]2CCCC[C@@H]2c2cccnc2)c1 ZINC000215509679 241129942 /nfs/dbraw/zinc/12/99/42/241129942.db2.gz ASXDYRAOBPRYAU-LJQANCHMSA-N 1 1 336.414 4.338 50 0 EIAAMO Cc1noc(C)c1[C@H]1CCC[N@H+]1Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000021719903 212244461 /nfs/dbraw/zinc/24/44/61/212244461.db2.gz YMFYBOWTDLIMQK-QGZVFWFLSA-N 1 1 340.402 4.158 50 0 EIAAMO COc1ccccc1/C=C/C[N@H+]1CCC[C@@H](c2n[nH]cc2C(C)C)C1 ZINC000020778801 212172431 /nfs/dbraw/zinc/17/24/31/212172431.db2.gz WMZONIUGNCOPHT-AHKGRUIUSA-N 1 1 339.483 4.435 50 0 EIAAMO Cc1cc(OCCCCN2CC[NH+](C)CC2)c(C(C)C)cc1Cl ZINC000020639311 212158688 /nfs/dbraw/zinc/15/86/88/212158688.db2.gz NWRQYILLRLLKLD-UHFFFAOYSA-N 1 1 338.923 4.178 50 0 EIAAMO Clc1ccccc1[C@H]1CC[N@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000020452560 212131037 /nfs/dbraw/zinc/13/10/37/212131037.db2.gz VKHGZASQUGBVCA-LBPRGKRZSA-N 1 1 345.855 4.441 50 0 EIAAMO Clc1ccccc1[C@H]1CC[N@@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000020452560 212131039 /nfs/dbraw/zinc/13/10/39/212131039.db2.gz VKHGZASQUGBVCA-LBPRGKRZSA-N 1 1 345.855 4.441 50 0 EIAAMO O=C(Nc1ccccc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019372989 212024628 /nfs/dbraw/zinc/02/46/28/212024628.db2.gz BYZBNLVKTLXVTR-UHFFFAOYSA-N 1 1 342.442 4.497 50 0 EIAAMO C[C@@H]([NH2+][C@@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccc2ccccc2c1 ZINC000049580993 214020559 /nfs/dbraw/zinc/02/05/59/214020559.db2.gz DVPNGKGMDSPZLN-CABCVRRESA-N 1 1 343.430 4.488 50 0 EIAAMO CSc1ccc(C[N@H+](C)[C@@H](C)c2nc(-c3cccnc3)no2)cc1 ZINC000079090581 217190585 /nfs/dbraw/zinc/19/05/85/217190585.db2.gz CSXYOBJXAWLZHL-ZDUSSCGKSA-N 1 1 340.452 4.047 50 0 EIAAMO CSc1ccc(C[N@@H+](C)[C@@H](C)c2nc(-c3cccnc3)no2)cc1 ZINC000079090581 217190588 /nfs/dbraw/zinc/19/05/88/217190588.db2.gz CSXYOBJXAWLZHL-ZDUSSCGKSA-N 1 1 340.452 4.047 50 0 EIAAMO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1F ZINC000082092391 217462994 /nfs/dbraw/zinc/46/29/94/217462994.db2.gz MEPRGQSZFKYZEN-OAHLLOKOSA-N 1 1 349.837 4.069 50 0 EIAAMO Cc1oc(-c2cccs2)nc1C[N@@H+](CC1CC1)C[C@H]1CCCO1 ZINC000012052110 211285155 /nfs/dbraw/zinc/28/51/55/211285155.db2.gz COCLUJQMLGASDH-OAHLLOKOSA-N 1 1 332.469 4.103 50 0 EIAAMO CCN1CCC([N@H+]2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)CC1 ZINC000011821496 211251988 /nfs/dbraw/zinc/25/19/88/211251988.db2.gz ZCAUEWMCBJHBIE-HXUWFJFHSA-N 1 1 329.532 4.171 50 0 EIAAMO Cc1ccccc1C[C@@]1(CO)CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000011816417 211250315 /nfs/dbraw/zinc/25/03/15/211250315.db2.gz RFPPJDMWKOEHNR-NRFANRHFSA-N 1 1 343.898 4.466 50 0 EIAAMO Cc1cc2cc(C(=O)NCc3ccc(-n4cc[nH+]c4C)cc3)ccc2o1 ZINC000091562715 218022459 /nfs/dbraw/zinc/02/24/59/218022459.db2.gz UAEBHNILBBUHIF-UHFFFAOYSA-N 1 1 345.402 4.165 50 0 EIAAMO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000093278223 218210846 /nfs/dbraw/zinc/21/08/46/218210846.db2.gz LCUYZAABGBJMNH-KRWDZBQOSA-N 1 1 340.492 4.002 50 0 EIAAMO CC(C)CC[C@@]1(CC[NH2+]CCCN(C)C)CCO[C@H](C(C)C)C1 ZINC000009530618 211099379 /nfs/dbraw/zinc/09/93/79/211099379.db2.gz QUDBQDYIZVMSGS-VQTJNVASSA-N 1 1 326.569 4.175 50 0 EIAAMO c1ccc([C@@H]([NH2+]Cc2cccc3c2OCCCO3)c2cccnc2)cc1 ZINC000095349669 218283619 /nfs/dbraw/zinc/28/36/19/218283619.db2.gz HHNMXEMGZODEIK-OAQYLSRUSA-N 1 1 346.430 4.122 50 0 EIAAMO Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(NCc3ccncc3)c12 ZINC000008993219 211028069 /nfs/dbraw/zinc/02/80/69/211028069.db2.gz SBDMTNILUSDEHB-UHFFFAOYSA-N 1 1 343.434 4.104 50 0 EIAAMO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@H+]1Cc1cccc(C(=O)N(C)C)c1 ZINC000095455783 218399372 /nfs/dbraw/zinc/39/93/72/218399372.db2.gz VBAOQHYUDALQEP-LSDHHAIUSA-N 1 1 340.442 4.035 50 0 EIAAMO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@@H+]1Cc1cccc(C(=O)N(C)C)c1 ZINC000095455783 218399373 /nfs/dbraw/zinc/39/93/73/218399373.db2.gz VBAOQHYUDALQEP-LSDHHAIUSA-N 1 1 340.442 4.035 50 0 EIAAMO CCCC[N@@H+](CC)CCCNC(=O)c1csc2c1CCCCC2 ZINC000005070440 210383074 /nfs/dbraw/zinc/38/30/74/210383074.db2.gz CZRWBCTYEUGMBD-UHFFFAOYSA-N 1 1 336.545 4.259 50 0 EIAAMO COc1cc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)cc(OC)c1 ZINC000004986459 210351325 /nfs/dbraw/zinc/35/13/25/210351325.db2.gz NJURGPKKWIJLMG-UHFFFAOYSA-N 1 1 327.399 4.132 50 0 EIAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000004817288 210286231 /nfs/dbraw/zinc/28/62/31/210286231.db2.gz VPRPANWSSJGICN-KSZLIROESA-N 1 1 336.479 4.418 50 0 EIAAMO c1[nH+]c(C2CCCCC2)n2c1C[C@H](c1nc(-c3ccncc3)no1)CC2 ZINC000328587258 258046033 /nfs/dbraw/zinc/04/60/33/258046033.db2.gz QHWRZMRAGIYEBT-MRXNPFEDSA-N 1 1 349.438 4.106 50 0 EIAAMO CCC(C)(C)[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]1c1cccs1 ZINC000241590517 258000750 /nfs/dbraw/zinc/00/07/50/258000750.db2.gz PFMBKFVQLFWOEE-DOTOQJQBSA-N 1 1 334.529 4.312 50 0 EIAAMO COc1ccccc1-c1ncc(C[N@@H+](C)CCC[C@H]2CCCO2)s1 ZINC000299776622 258087210 /nfs/dbraw/zinc/08/72/10/258087210.db2.gz AWMBEHFKQHHYBC-HNNXBMFYSA-N 1 1 346.496 4.210 50 0 EIAAMO Fc1cc(C[NH+]2CCC(OCc3ccccn3)CC2)ccc1Cl ZINC000216020753 258071976 /nfs/dbraw/zinc/07/19/76/258071976.db2.gz ATVAJIZAUZRYAV-UHFFFAOYSA-N 1 1 334.822 4.055 50 0 EIAAMO C[N@H+]1CCCN(C(=O)Nc2ccc(-c3cccc(Cl)c3)cc2)CC1 ZINC000299760653 258077909 /nfs/dbraw/zinc/07/79/09/258077909.db2.gz IRMALAHPYGSJAK-UHFFFAOYSA-N 1 1 343.858 4.176 50 0 EIAAMO CCOc1ccc(-c2ccc(C[N@H+](C)[C@H](C)c3ccncn3)o2)cc1 ZINC000216455579 535691980 /nfs/dbraw/zinc/69/19/80/535691980.db2.gz CTYGLOPCFMEHPH-OAHLLOKOSA-N 1 1 337.423 4.328 50 0 EIAAMO CCOc1ccc(-c2ccc(C[N@@H+](C)[C@H](C)c3ccncn3)o2)cc1 ZINC000216455579 535691988 /nfs/dbraw/zinc/69/19/88/535691988.db2.gz CTYGLOPCFMEHPH-OAHLLOKOSA-N 1 1 337.423 4.328 50 0 EIAAMO CCS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C)C1 ZINC000072305255 563914742 /nfs/dbraw/zinc/91/47/42/563914742.db2.gz CLZCHNXWRMROKB-LSDHHAIUSA-N 1 1 340.920 4.193 50 0 EIAAMO Cc1ccc(NC(=S)NC[C@H](C)[N@H+]2CCCC[C@H]2C)cc1Cl ZINC000242047883 564088457 /nfs/dbraw/zinc/08/84/57/564088457.db2.gz VQVMLUZYXASLIP-KGLIPLIRSA-N 1 1 339.936 4.198 50 0 EIAAMO CCN(CC)c1ccc(NC(=O)C2CCCCC2)c(N(CC)CC)[nH+]1 ZINC000000112332 563230528 /nfs/dbraw/zinc/23/05/28/563230528.db2.gz VQJBUZXJGOTJOK-UHFFFAOYSA-N 1 1 346.519 4.293 50 0 EIAAMO COc1cccc(CNc2ccc([NH+]3CCCCC3)cc2)c1OC ZINC000000360228 563293398 /nfs/dbraw/zinc/29/33/98/563293398.db2.gz HYQDZOJHGOMQRZ-UHFFFAOYSA-N 1 1 326.440 4.306 50 0 EIAAMO O=C(c1ccccc1C[NH+]1CC=CC1)c1ccccc1C(F)(F)F ZINC000002515903 563437172 /nfs/dbraw/zinc/43/71/72/563437172.db2.gz YSAQSECOJNFSEJ-UHFFFAOYSA-N 1 1 331.337 4.308 50 0 EIAAMO CC(C)CCc1noc(C[N@@H+](Cc2ccccc2)CC2CCC2)n1 ZINC000012574649 563663533 /nfs/dbraw/zinc/66/35/33/563663533.db2.gz WPPHLJACYLNABY-UHFFFAOYSA-N 1 1 327.472 4.461 50 0 EIAAMO CC(C)CCc1noc(C[N@H+](Cc2ccccc2)CC2CCC2)n1 ZINC000012574649 563663535 /nfs/dbraw/zinc/66/35/35/563663535.db2.gz WPPHLJACYLNABY-UHFFFAOYSA-N 1 1 327.472 4.461 50 0 EIAAMO C[N@H+](Cc1nc(-c2cccs2)no1)[C@@H]1CCCc2ccccc21 ZINC000012715783 563669036 /nfs/dbraw/zinc/66/90/36/563669036.db2.gz BTHGQLVYPPMODL-OAHLLOKOSA-N 1 1 325.437 4.308 50 0 EIAAMO C[N@@H+](Cc1nc(-c2cccs2)no1)[C@@H]1CCCc2ccccc21 ZINC000012715783 563669039 /nfs/dbraw/zinc/66/90/39/563669039.db2.gz BTHGQLVYPPMODL-OAHLLOKOSA-N 1 1 325.437 4.308 50 0 EIAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2ccccc2)cc1 ZINC000012984875 563682003 /nfs/dbraw/zinc/68/20/03/563682003.db2.gz OAEGFEMXXSRMRH-FQEVSTJZSA-N 1 1 338.451 4.251 50 0 EIAAMO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+](C)Cc1cccs1 ZINC000032797225 563738448 /nfs/dbraw/zinc/73/84/48/563738448.db2.gz FSFLOSGLGAYLIT-NSHDSACASA-N 1 1 342.386 4.226 50 0 EIAAMO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+](C)Cc1cccs1 ZINC000032797225 563738452 /nfs/dbraw/zinc/73/84/52/563738452.db2.gz FSFLOSGLGAYLIT-NSHDSACASA-N 1 1 342.386 4.226 50 0 EIAAMO COc1cc(C[N@H+]2CCC[C@@H](Nc3ccc(F)cc3)C2)ccc1F ZINC000015068983 563775595 /nfs/dbraw/zinc/77/55/95/563775595.db2.gz STTWHEQTBDYACW-QGZVFWFLSA-N 1 1 332.394 4.050 50 0 EIAAMO CC(C)c1ccc(C[N@H+](C)CC(=O)N[C@@H](C)c2cccs2)cc1 ZINC000015299592 563781367 /nfs/dbraw/zinc/78/13/67/563781367.db2.gz IVVYTQDZUGFWNA-HNNXBMFYSA-N 1 1 330.497 4.181 50 0 EIAAMO CC(C)c1ccc(C[N@@H+](C)CC(=O)N[C@@H](C)c2cccs2)cc1 ZINC000015299592 563781373 /nfs/dbraw/zinc/78/13/73/563781373.db2.gz IVVYTQDZUGFWNA-HNNXBMFYSA-N 1 1 330.497 4.181 50 0 EIAAMO COc1ccc(C[N@H+](C)Cn2c3ccccc3oc2=S)cc1OC ZINC000016353138 563809247 /nfs/dbraw/zinc/80/92/47/563809247.db2.gz RPCOXPBYUXMRRV-UHFFFAOYSA-N 1 1 344.436 4.070 50 0 EIAAMO COc1ccc(C[N@@H+](C)Cn2c3ccccc3oc2=S)cc1OC ZINC000016353138 563809252 /nfs/dbraw/zinc/80/92/52/563809252.db2.gz RPCOXPBYUXMRRV-UHFFFAOYSA-N 1 1 344.436 4.070 50 0 EIAAMO CC(C)c1cc(NC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)on1 ZINC000024219433 563869819 /nfs/dbraw/zinc/86/98/19/563869819.db2.gz PYBMUXXTWMWXMH-UHFFFAOYSA-N 1 1 349.434 4.116 50 0 EIAAMO O=C(CC[N@@H+](Cc1ccccc1)C1CC1)Nc1ccccc1Cl ZINC000026918467 563894058 /nfs/dbraw/zinc/89/40/58/563894058.db2.gz QAQYDZCQVMEQPB-UHFFFAOYSA-N 1 1 328.843 4.333 50 0 EIAAMO Cc1ccc(Cl)cc1NC(=O)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000029482478 563906563 /nfs/dbraw/zinc/90/65/63/563906563.db2.gz QKPDSNZQERQFIH-SFHVURJKSA-N 1 1 328.843 4.206 50 0 EIAAMO Clc1cccc(CNC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000000757099 563917733 /nfs/dbraw/zinc/91/77/33/563917733.db2.gz LAUXDMAZKBDZNL-UHFFFAOYSA-N 1 1 328.887 4.137 50 0 EIAAMO C[C@@H](Cc1ccccc1F)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022455334 563918556 /nfs/dbraw/zinc/91/85/56/563918556.db2.gz PQEUZROJYNBAQX-VQFGERMISA-N 1 1 338.470 4.088 50 0 EIAAMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)Nc1c(C)cccc1C ZINC000058307575 563942203 /nfs/dbraw/zinc/94/22/03/563942203.db2.gz VPRVFKLLHYTRTF-UHFFFAOYSA-N 1 1 334.423 4.119 50 0 EIAAMO O=C(CC[N@H+]1CC[C@@H](c2ccccc2)C1)Nc1ccccc1Cl ZINC000058394249 563944859 /nfs/dbraw/zinc/94/48/59/563944859.db2.gz SIJOSOHXFQZGOU-MRXNPFEDSA-N 1 1 328.843 4.158 50 0 EIAAMO COc1cccc(C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)no2)c1OC ZINC000064667111 563957000 /nfs/dbraw/zinc/95/70/00/563957000.db2.gz JNPRTTLPGOJZPJ-MRXNPFEDSA-N 1 1 330.428 4.152 50 0 EIAAMO COc1cccc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)no2)c1OC ZINC000064667111 563957001 /nfs/dbraw/zinc/95/70/01/563957001.db2.gz JNPRTTLPGOJZPJ-MRXNPFEDSA-N 1 1 330.428 4.152 50 0 EIAAMO Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2nc3ccccc3o2)cc1 ZINC000097081919 563967253 /nfs/dbraw/zinc/96/72/53/563967253.db2.gz UKBNGOMVJXDTCU-CQSZACIVSA-N 1 1 332.407 4.173 50 0 EIAAMO CSc1ccc(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)cc1 ZINC000085651245 563973855 /nfs/dbraw/zinc/97/38/55/563973855.db2.gz NHXXFKZVRFDKHM-UHFFFAOYSA-N 1 1 343.517 4.188 50 0 EIAAMO Cc1ccc(C)c(C(=O)c2ccccc2C[NH+]2CCSCC2)c1 ZINC000085651662 563973870 /nfs/dbraw/zinc/97/38/70/563973870.db2.gz TWMPZBLZQPZLFG-UHFFFAOYSA-N 1 1 325.477 4.083 50 0 EIAAMO CCCc1nc2ccccc2c(NC(=O)C[NH+]2CCCCC2)c1CC ZINC000000333853 563991302 /nfs/dbraw/zinc/99/13/02/563991302.db2.gz BZQBQHZFLANGHH-UHFFFAOYSA-N 1 1 339.483 4.174 50 0 EIAAMO Clc1ccc2oc(C3CC[NH+](Cc4nccs4)CC3)nc2c1 ZINC000135173605 563996935 /nfs/dbraw/zinc/99/69/35/563996935.db2.gz MRHDBIGEBQYOJE-UHFFFAOYSA-N 1 1 333.844 4.317 50 0 EIAAMO CC(C)Sc1ccccc1NC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000135403423 563997388 /nfs/dbraw/zinc/99/73/88/563997388.db2.gz LGWJBGPZMZUZKF-HNNXBMFYSA-N 1 1 347.484 4.205 50 0 EIAAMO Cc1ccc([C@@H](CC[NH2+]CCCN(C)C)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000005348423 564002972 /nfs/dbraw/zinc/00/29/72/564002972.db2.gz DJFIHPNECOPQER-NHCUHLMSSA-N 1 1 346.559 4.215 50 0 EIAAMO Fc1cc(Br)cc([C@H](CC2CC2)[NH2+]Cc2ccno2)c1 ZINC000275101740 564008586 /nfs/dbraw/zinc/00/85/86/564008586.db2.gz FLCUMKLSVBJCIL-HNNXBMFYSA-N 1 1 339.208 4.207 50 0 EIAAMO C[C@@H]1CCC[N@@H+](C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@H]23)C1 ZINC000105364083 564025112 /nfs/dbraw/zinc/02/51/12/564025112.db2.gz RBCKIFIDZCUQEN-NZIBUEJNSA-N 1 1 331.500 4.033 50 0 biogenic EIAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2occc2-c2ccccc2)cn1 ZINC000048301010 564030836 /nfs/dbraw/zinc/03/08/36/564030836.db2.gz WBJARFBWGAEZDN-UHFFFAOYSA-N 1 1 344.374 4.088 50 0 EIAAMO Fc1ccc(F)c(CN2CC[N@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)c1 ZINC000022876377 564030893 /nfs/dbraw/zinc/03/08/93/564030893.db2.gz RBMDUBBCLOBBET-WOJBJXKFSA-N 1 1 334.454 4.194 50 0 EIAAMO C[C@@H](c1ccc(-c2cc(C(F)(F)F)ccn2)cc1)[NH+]1CCOCC1 ZINC000534655020 564061446 /nfs/dbraw/zinc/06/14/46/564061446.db2.gz UKELZJQIOIAYOA-ZDUSSCGKSA-N 1 1 336.357 4.161 50 0 EIAAMO CC[C@H]([NH2+]Cc1cnc(C)n1-c1ccccc1)c1nc(C)cs1 ZINC000084022413 564065814 /nfs/dbraw/zinc/06/58/14/564065814.db2.gz DFUKOAWXQZYSEQ-KRWDZBQOSA-N 1 1 326.469 4.187 50 0 EIAAMO Cc1ccc(C(=O)Nc2nc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cs2)cc1 ZINC000012767076 564068117 /nfs/dbraw/zinc/06/81/17/564068117.db2.gz BVAQRLZUHCALBW-GASCZTMLSA-N 1 1 343.496 4.182 50 0 EIAAMO Cc1ccc(C(=O)Nc2nc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cs2)cc1 ZINC000012767076 564068118 /nfs/dbraw/zinc/06/81/18/564068118.db2.gz BVAQRLZUHCALBW-GASCZTMLSA-N 1 1 343.496 4.182 50 0 EIAAMO Fc1cc(C[N@H+]2CCC[C@@H]2CCc2ccccc2)c2c(c1)COCO2 ZINC000084528473 564068555 /nfs/dbraw/zinc/06/85/55/564068555.db2.gz KUSKJPXJSPZFEA-HXUWFJFHSA-N 1 1 341.426 4.289 50 0 EIAAMO CSc1ccc(C[N@H+](C)Cn2c(=O)oc3cc(Cl)ccc32)cc1 ZINC000012869064 564075975 /nfs/dbraw/zinc/07/59/75/564075975.db2.gz GRXIJQDWZKBUMM-UHFFFAOYSA-N 1 1 348.855 4.059 50 0 EIAAMO CSc1ccc(C[N@@H+](C)Cn2c(=O)oc3cc(Cl)ccc32)cc1 ZINC000012869064 564075976 /nfs/dbraw/zinc/07/59/76/564075976.db2.gz GRXIJQDWZKBUMM-UHFFFAOYSA-N 1 1 348.855 4.059 50 0 EIAAMO CCCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCC1)n2CCC ZINC000026121343 564077303 /nfs/dbraw/zinc/07/73/03/564077303.db2.gz HBONZSLKAQEIJJ-UHFFFAOYSA-N 1 1 342.487 4.171 50 0 EIAAMO C[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1nccs1 ZINC000248742703 564078198 /nfs/dbraw/zinc/07/81/98/564078198.db2.gz AIDCRVKUMDYKPU-KANFNMMFSA-N 1 1 341.524 4.032 50 0 EIAAMO Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 ZINC000012930694 564078752 /nfs/dbraw/zinc/07/87/52/564078752.db2.gz HKVMECSBZKQILW-MGPUTAFESA-N 1 1 340.442 4.113 50 0 EIAAMO C[C@@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000013019094 564086867 /nfs/dbraw/zinc/08/68/67/564086867.db2.gz STBKBSVQRHNLBI-KZULUSFZSA-N 1 1 346.833 4.150 50 0 EIAAMO C[C@@H]([NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000013019098 564086872 /nfs/dbraw/zinc/08/68/72/564086872.db2.gz STBKBSVQRHNLBI-XIKOKIGWSA-N 1 1 346.833 4.150 50 0 EIAAMO CC[N@H+](CC(=O)N1CCc2ccccc21)[C@H](C)c1cc2ccccc2o1 ZINC000064349222 564089282 /nfs/dbraw/zinc/08/92/82/564089282.db2.gz PHVCPXAVFDDSRM-MRXNPFEDSA-N 1 1 348.446 4.405 50 0 EIAAMO CC[N@@H+](CC(=O)N1CCc2ccccc21)[C@H](C)c1cc2ccccc2o1 ZINC000064349222 564089283 /nfs/dbraw/zinc/08/92/83/564089283.db2.gz PHVCPXAVFDDSRM-MRXNPFEDSA-N 1 1 348.446 4.405 50 0 EIAAMO Cc1c2cccc(Cl)c2oc1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000006608947 564093219 /nfs/dbraw/zinc/09/32/19/564093219.db2.gz JMOGGVIWCLTQHU-CQSZACIVSA-N 1 1 346.814 4.020 50 0 EIAAMO COc1ccccc1OCCC[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000006624649 564094633 /nfs/dbraw/zinc/09/46/33/564094633.db2.gz ADUGBERARZJNJN-GOSISDBHSA-N 1 1 326.440 4.086 50 0 biogenic EIAAMO Cc1cccc(C[N@@H+]2CC=C(C(=O)N[C@@H](C)c3ccccc3)CC2)c1 ZINC000064818023 564096516 /nfs/dbraw/zinc/09/65/16/564096516.db2.gz UHEKYFPOYGUFBK-SFHVURJKSA-N 1 1 334.463 4.005 50 0 EIAAMO CC[C@H](C)[N@H+](Cc1cc(C)ccc1C)C[C@@H](O)COCc1ccco1 ZINC000169679090 564098162 /nfs/dbraw/zinc/09/81/62/564098162.db2.gz SNVSHTKNKJZTEN-AZUAARDMSA-N 1 1 345.483 4.075 50 0 EIAAMO Cc1ncsc1C[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000170041266 564104999 /nfs/dbraw/zinc/10/49/99/564104999.db2.gz PYVIUULKGROCNS-QMMMGPOBSA-N 1 1 329.238 4.204 50 0 EIAAMO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+](CCC(C)C)C1CC1 ZINC000027110892 564117387 /nfs/dbraw/zinc/11/73/87/564117387.db2.gz HRJYLXNCJSPGAG-UHFFFAOYSA-N 1 1 343.515 4.044 50 0 EIAAMO COc1ccc(C[N@H+](C)[C@H](C)c2nnc(-c3cccc(C)c3)o2)cc1 ZINC000007682655 564121877 /nfs/dbraw/zinc/12/18/77/564121877.db2.gz NOOTWGBWDJAQTD-OAHLLOKOSA-N 1 1 337.423 4.247 50 0 EIAAMO COc1ccc(C[N@@H+](C)[C@H](C)c2nnc(-c3cccc(C)c3)o2)cc1 ZINC000007682655 564121878 /nfs/dbraw/zinc/12/18/78/564121878.db2.gz NOOTWGBWDJAQTD-OAHLLOKOSA-N 1 1 337.423 4.247 50 0 EIAAMO Cc1cccc(C)c1NC(=O)C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000007757130 564122715 /nfs/dbraw/zinc/12/27/15/564122715.db2.gz BBUCAGAOIANBAM-UHFFFAOYSA-N 1 1 326.415 4.046 50 0 EIAAMO Cc1cccc(C)c1NC(=O)C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000007757130 564122716 /nfs/dbraw/zinc/12/27/16/564122716.db2.gz BBUCAGAOIANBAM-UHFFFAOYSA-N 1 1 326.415 4.046 50 0 EIAAMO C[C@H](c1ccccc1)[N@H+](Cc1nnnn1-c1ccccc1)C1CCCC1 ZINC000253429562 564131266 /nfs/dbraw/zinc/13/12/66/564131266.db2.gz NRSUBNLZIYBFNZ-QGZVFWFLSA-N 1 1 347.466 4.168 50 0 EIAAMO C[C@H](c1ccccc1)[N@@H+](Cc1nnnn1-c1ccccc1)C1CCCC1 ZINC000253429562 564131267 /nfs/dbraw/zinc/13/12/67/564131267.db2.gz NRSUBNLZIYBFNZ-QGZVFWFLSA-N 1 1 347.466 4.168 50 0 EIAAMO Cc1ccc(NC(=S)N2CCC([N@@H+](C)C3CCCC3)CC2)cc1 ZINC000003058333 564154787 /nfs/dbraw/zinc/15/47/87/564154787.db2.gz YCEJRLRPLYVOIS-UHFFFAOYSA-N 1 1 331.529 4.031 50 0 EIAAMO Cc1cccc(NC(=S)N2CCC([N@@H+](C)C3CCCC3)CC2)c1C ZINC000003058403 564154809 /nfs/dbraw/zinc/15/48/09/564154809.db2.gz GSWNZJPKRLGNKJ-UHFFFAOYSA-N 1 1 345.556 4.339 50 0 EIAAMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc2ccccc21 ZINC000031565965 564159577 /nfs/dbraw/zinc/15/95/77/564159577.db2.gz FUBJWUGGYWTTHI-FQEVSTJZSA-N 1 1 344.458 4.234 50 0 EIAAMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000008130936 564162980 /nfs/dbraw/zinc/16/29/80/564162980.db2.gz OZJPWKIZVIVSQY-QGZVFWFLSA-N 1 1 340.467 4.079 50 0 EIAAMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000008130936 564162981 /nfs/dbraw/zinc/16/29/81/564162981.db2.gz OZJPWKIZVIVSQY-QGZVFWFLSA-N 1 1 340.467 4.079 50 0 EIAAMO CSc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2c(C)cccc2C)cc1 ZINC000008748114 564167225 /nfs/dbraw/zinc/16/72/25/564167225.db2.gz VAGKXJVCZCFOAO-INIZCTEOSA-N 1 1 342.508 4.484 50 0 EIAAMO CSc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2c(C)cccc2C)cc1 ZINC000008748114 564167226 /nfs/dbraw/zinc/16/72/26/564167226.db2.gz VAGKXJVCZCFOAO-INIZCTEOSA-N 1 1 342.508 4.484 50 0 EIAAMO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1nc(-c2cccnc2)no1 ZINC000069679465 564171458 /nfs/dbraw/zinc/17/14/58/564171458.db2.gz RADWUCFYGCKYPE-OALUTQOASA-N 1 1 348.450 4.290 50 0 EIAAMO Cc1cccc(CNC(=O)c2cc3c(s2)C[N@H+](C2CCCC2)C3)c1 ZINC000065238953 568421280 /nfs/dbraw/zinc/42/12/80/568421280.db2.gz YLKRJGUJGLMQCY-UHFFFAOYSA-N 1 1 340.492 4.245 50 0 EIAAMO Cc1cc([C@H](C)[NH2+]Cc2ccc(CN3CCc4ccccc43)cc2)no1 ZINC000289552009 1021824187 /nfs/dbraw/zinc/82/41/87/1021824187.db2.gz CFHTVYCONQFPBM-KRWDZBQOSA-N 1 1 347.462 4.397 50 0 EIAAMO C[C@@]1(COc2ccncc2)CCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000257184950 1022689449 /nfs/dbraw/zinc/68/94/49/1022689449.db2.gz JAQLUZHPNIKWFT-LJQANCHMSA-N 1 1 332.394 4.041 50 0 EIAAMO C[C@@]1(COc2ccncc2)CCC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000257184950 1022689462 /nfs/dbraw/zinc/68/94/62/1022689462.db2.gz JAQLUZHPNIKWFT-LJQANCHMSA-N 1 1 332.394 4.041 50 0 EIAAMO C[C@]1(COc2ccncc2)CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000257195707 1022782570 /nfs/dbraw/zinc/78/25/70/1022782570.db2.gz WSESRWUBFQCIHJ-IBGZPJMESA-N 1 1 332.394 4.041 50 0 EIAAMO C[C@]1(COc2ccncc2)CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000257195707 1022782588 /nfs/dbraw/zinc/78/25/88/1022782588.db2.gz WSESRWUBFQCIHJ-IBGZPJMESA-N 1 1 332.394 4.041 50 0 EIAAMO Cc1c[nH+]c(C[C@@H]2CCCN(C(=O)c3cccc(C)c3)C2)n1C(C)C ZINC000581817003 1022860537 /nfs/dbraw/zinc/86/05/37/1022860537.db2.gz VQDVWJKEORNGNW-SFHVURJKSA-N 1 1 339.483 4.176 50 0 EIAAMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2ncc(-c3ccccc3Cl)o2)C1 ZINC000081571114 1040082560 /nfs/dbraw/zinc/08/25/60/1040082560.db2.gz KRYMVIMIPBDXAH-HNNXBMFYSA-N 1 1 347.890 4.159 50 0 EIAAMO C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(Cl)s2)C1 ZINC000012757191 1041410827 /nfs/dbraw/zinc/41/08/27/1041410827.db2.gz WQHGZBFOVDTXEX-OAHLLOKOSA-N 1 1 348.899 4.138 50 0 EIAAMO c1ccc(OCc2noc(C[N@H+]3CC[C@H](C4CCCCC4)C3)n2)cc1 ZINC000011934732 1043756847 /nfs/dbraw/zinc/75/68/47/1043756847.db2.gz IFZYJCGFVUXDFS-KRWDZBQOSA-N 1 1 341.455 4.051 50 0 EIAAMO c1sc(CN2CCC[C@H]2c2cccnc2)cc1C[NH+]1CCCCC1 ZINC000820414276 1043855225 /nfs/dbraw/zinc/85/52/25/1043855225.db2.gz ZZWOYYBUIOKKNV-FQEVSTJZSA-N 1 1 341.524 4.466 50 0 EIAAMO COc1cccc([C@@H]2CC[N@H+]2Cc2cc(C)ccc2-n2cccn2)c1 ZINC000824774921 1044527891 /nfs/dbraw/zinc/52/78/91/1044527891.db2.gz SKYXVAFFAKNRNM-FQEVSTJZSA-N 1 1 333.435 4.136 50 0 EIAAMO Cc1cc(-n2cccn2)ccc1C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000825145647 1044612995 /nfs/dbraw/zinc/61/29/95/1044612995.db2.gz KAYNNTYFPQYJMU-SFHVURJKSA-N 1 1 338.480 4.364 50 0 EIAAMO Cc1cc(-n2cccn2)ccc1C[N@H+]1CCCC[C@H]1c1nccs1 ZINC000825145647 1044613007 /nfs/dbraw/zinc/61/30/07/1044613007.db2.gz KAYNNTYFPQYJMU-SFHVURJKSA-N 1 1 338.480 4.364 50 0 EIAAMO Cc1cccc(-c2ncc(C[N@H+]3CCC[C@@H]3c3cccnc3)cn2)c1 ZINC000825224762 1044620395 /nfs/dbraw/zinc/62/03/95/1044620395.db2.gz DZVLSFMVAOMOAN-HXUWFJFHSA-N 1 1 330.435 4.184 50 0 EIAAMO CCOc1ccccc1C[NH+]1CC(n2c(C)cnc2-c2ccccc2)C1 ZINC000575551134 1045257572 /nfs/dbraw/zinc/25/75/72/1045257572.db2.gz OCTIQOCJOXLSSQ-UHFFFAOYSA-N 1 1 347.462 4.314 50 0 EIAAMO CC[N@@H+](Cc1cccc(OCC(F)(F)F)c1)[C@@H]1CCOC(C)(C)C1 ZINC000585084881 1049445612 /nfs/dbraw/zinc/44/56/12/1049445612.db2.gz YFZKXMLHXMBORX-OAHLLOKOSA-N 1 1 345.405 4.407 50 0 EIAAMO CCc1[nH+]ccn1CCC(=O)N[C@@H](c1cccs1)C1CCCCC1 ZINC000952988694 1049692061 /nfs/dbraw/zinc/69/20/61/1049692061.db2.gz OLKLAMOCHMQPTJ-LJQANCHMSA-N 1 1 345.512 4.335 50 0 EIAAMO Cc1ccncc1CCC[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000368585663 1054655747 /nfs/dbraw/zinc/65/57/47/1054655747.db2.gz WJFFEPKLUWDYAH-SFHVURJKSA-N 1 1 335.451 4.343 50 0 EIAAMO C[N@H+]1CCC[C@H]1CCn1cnc(-c2ccccc2)c1-c1ccncc1 ZINC000065427969 1059934250 /nfs/dbraw/zinc/93/42/50/1059934250.db2.gz DOLUSHLCTWGDBN-IBGZPJMESA-N 1 1 332.451 4.096 50 0 EIAAMO CC[C@H](C)[N@@H+](Cc1c(C)nc2ccc(Cl)cn21)Cc1ccncc1 ZINC000055099257 214272009 /nfs/dbraw/zinc/27/20/09/214272009.db2.gz JVAQTNGDMFPCRK-AWEZNQCLSA-N 1 1 342.874 4.492 50 0 EIAAMO CC[C@H](C)[N@@H+](Cc1ccc(-c2cc[nH]n2)s1)Cc1ccncc1 ZINC000055358210 214311681 /nfs/dbraw/zinc/31/16/81/214311681.db2.gz YMZJFARGYILQHK-AWEZNQCLSA-N 1 1 326.469 4.334 50 0 EIAAMO c1csc(C[N@@H+](Cc2cccc3cccnc32)C[C@@H]2CCCO2)c1 ZINC000055527838 214327062 /nfs/dbraw/zinc/32/70/62/214327062.db2.gz GHBSLMGTYVRKPV-SFHVURJKSA-N 1 1 338.476 4.478 50 0 EIAAMO c1coc([C@@H]2C=C(c3ccc(-c4ccccc4)cc3)[NH+]=C3N=CNN32)c1 ZINC000100435510 219098955 /nfs/dbraw/zinc/09/89/55/219098955.db2.gz MSMZLFRGZQEXER-IBGZPJMESA-N 1 1 340.386 4.247 50 0 EIAAMO Cc1oc(-c2ccc3ccccc3c2)nc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](O)C2 ZINC000101949798 219175663 /nfs/dbraw/zinc/17/56/63/219175663.db2.gz FWTTXYNSOPPUIQ-PMOLBWCYSA-N 1 1 348.446 4.291 50 0 EIAAMO CCC/C=C/C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(C)oc1C)C2 ZINC000067842827 215226695 /nfs/dbraw/zinc/22/66/95/215226695.db2.gz YFBBBJSXIZMISH-IRUYWQDXSA-N 1 1 344.499 4.181 50 0 EIAAMO O=C(c1ccc(Br)cc1F)c1ccccc1C[NH+]1CCC1 ZINC000002515629 209862136 /nfs/dbraw/zinc/86/21/36/209862136.db2.gz INDSJDSWVHEQIC-UHFFFAOYSA-N 1 1 348.215 4.025 50 0 EIAAMO C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000069327100 215378296 /nfs/dbraw/zinc/37/82/96/215378296.db2.gz WHBXSBHMXCHYER-HOCLYGCPSA-N 1 1 328.843 4.157 50 0 EIAAMO C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000069327100 215378298 /nfs/dbraw/zinc/37/82/98/215378298.db2.gz WHBXSBHMXCHYER-HOCLYGCPSA-N 1 1 328.843 4.157 50 0 EIAAMO CC(C)(C)OC(=O)N1CCC[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000040450012 213305389 /nfs/dbraw/zinc/30/53/89/213305389.db2.gz JOLUJGJHYSSPCF-NRFANRHFSA-N 1 1 344.499 4.300 50 0 EIAAMO Cc1ccc(NC(=S)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)cc1Cl ZINC000036847519 213122399 /nfs/dbraw/zinc/12/23/99/213122399.db2.gz VQVMLUZYXASLIP-UONOGXRCSA-N 1 1 339.936 4.198 50 0 EIAAMO CC[C@@H](C)[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036096905 213062895 /nfs/dbraw/zinc/06/28/95/213062895.db2.gz NJDZQVWFUNLYOV-APWZRJJASA-N 1 1 347.886 4.380 50 0 EIAAMO CC(C)CC[N@H+](Cc1ccccc1F)C[C@H](O)COc1ccccc1 ZINC000036031074 213057118 /nfs/dbraw/zinc/05/71/18/213057118.db2.gz DEDCKYMPDMPWHI-IBGZPJMESA-N 1 1 345.458 4.114 50 0 EIAAMO Cc1cccc2nc(C3CC[NH+](Cc4ccnc(C(C)C)n4)CC3)[nH]c21 ZINC000072140515 216026977 /nfs/dbraw/zinc/02/69/77/216026977.db2.gz NRLDETPQTHLVAY-UHFFFAOYSA-N 1 1 349.482 4.164 50 0 EIAAMO CC(=O)NCC[C@@H]1CCCC[N@H+]1Cc1ccccc1-c1ccccc1 ZINC000072143484 216029490 /nfs/dbraw/zinc/02/94/90/216029490.db2.gz WLRPDDANSNLCGK-NRFANRHFSA-N 1 1 336.479 4.234 50 0 EIAAMO Cc1nccn1C[C@H]1CCC[N@@H+](Cc2ccc(-c3cccnc3)cc2)C1 ZINC000072167623 216057025 /nfs/dbraw/zinc/05/70/25/216057025.db2.gz KPPGPOHXHWUZOM-FQEVSTJZSA-N 1 1 346.478 4.166 50 0 EIAAMO O=c1[nH]c(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)nc2cc(Cl)ccc21 ZINC000023641009 212387351 /nfs/dbraw/zinc/38/73/51/212387351.db2.gz YPFWVAOXGRJEHB-CHWSQXEVSA-N 1 1 331.847 4.001 50 0 EIAAMO O=c1[nH]c(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)nc2cc(Cl)ccc21 ZINC000023641009 212387353 /nfs/dbraw/zinc/38/73/53/212387353.db2.gz YPFWVAOXGRJEHB-CHWSQXEVSA-N 1 1 331.847 4.001 50 0 EIAAMO Cc1cc2c(cc1F)Sc1ccccc1C[C@H]2[NH+]1CCN(C)CC1 ZINC000022865725 212330561 /nfs/dbraw/zinc/33/05/61/212330561.db2.gz WDCMRUBHRJXTRJ-GOSISDBHSA-N 1 1 342.483 4.130 50 0 EIAAMO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1Cl)[NH2+]CC2 ZINC000022018356 212271657 /nfs/dbraw/zinc/27/16/57/212271657.db2.gz WDYIKIZWXGOOHA-KRWDZBQOSA-N 1 1 338.234 4.246 50 0 EIAAMO Cc1cccc(C)c1NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000230155348 242240357 /nfs/dbraw/zinc/24/03/57/242240357.db2.gz IGPYNVWOPXOSNE-MOPGFXCFSA-N 1 1 343.515 4.422 50 0 EIAAMO Fc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3cccs3)n2)cc1 ZINC000020947963 212192882 /nfs/dbraw/zinc/19/28/82/212192882.db2.gz DMJHDKHGWYBGEL-CQSZACIVSA-N 1 1 329.400 4.274 50 0 EIAAMO Fc1ccc(-c2noc(C[N@H+]3CCC[C@@H]3c3cccs3)n2)cc1 ZINC000020947963 212192885 /nfs/dbraw/zinc/19/28/85/212192885.db2.gz DMJHDKHGWYBGEL-CQSZACIVSA-N 1 1 329.400 4.274 50 0 EIAAMO Cc1ccc2c(C[N@H+]3CCC=C(c4cccnc4)C3)cc(=O)oc2c1C ZINC000241774023 243002044 /nfs/dbraw/zinc/00/20/44/243002044.db2.gz RMJOQNJRNBZJLM-UHFFFAOYSA-N 1 1 346.430 4.094 50 0 EIAAMO C[NH+]1CCN(CC[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000020590849 212150286 /nfs/dbraw/zinc/15/02/86/212150286.db2.gz XKKQWHDMZSAMNH-HXUWFJFHSA-N 1 1 328.887 4.109 50 0 EIAAMO Cc1[nH]c2c(Cl)cccc2c(=O)c1C[N@H+]1CCc2ccccc2C1 ZINC000019793682 212068811 /nfs/dbraw/zinc/06/88/11/212068811.db2.gz DVKJHOUVMDCLJM-UHFFFAOYSA-N 1 1 338.838 4.048 50 0 EIAAMO CSc1ccc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000019536506 212039054 /nfs/dbraw/zinc/03/90/54/212039054.db2.gz RCTUEYFOGVWFPP-VMPITWQZSA-N 1 1 338.520 4.240 50 0 EIAAMO CSc1ccc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000019536506 212039059 /nfs/dbraw/zinc/03/90/59/212039059.db2.gz RCTUEYFOGVWFPP-VMPITWQZSA-N 1 1 338.520 4.240 50 0 EIAAMO CCc1ccc(C[NH+]2CCN(Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000019359637 212020816 /nfs/dbraw/zinc/02/08/16/212020816.db2.gz WYKLMLBMHDEGJT-UHFFFAOYSA-N 1 1 333.479 4.048 50 0 EIAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)c3ccccc3F)n2)C1 ZINC000012791849 211457326 /nfs/dbraw/zinc/45/73/26/211457326.db2.gz FVWQKFXLNFINTP-CHWSQXEVSA-N 1 1 347.459 4.012 50 0 EIAAMO CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@H+](C3CCSCC3)C2)c1 ZINC000012429999 211378541 /nfs/dbraw/zinc/37/85/41/211378541.db2.gz ZBNHEUQCSBYTRB-QGZVFWFLSA-N 1 1 347.524 4.264 50 0 EIAAMO COCC[N@@H+](C)Cc1cn(-c2ccc(C)cc2)nc1-c1cccc(C)c1 ZINC000012459326 211388605 /nfs/dbraw/zinc/38/86/05/211388605.db2.gz QAGVQJFZUHHBDQ-UHFFFAOYSA-N 1 1 349.478 4.234 50 0 EIAAMO CC(C)[N@H+](C)C[C@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1 ZINC000012387095 211364131 /nfs/dbraw/zinc/36/41/31/211364131.db2.gz DPTCKRFBBMMPDQ-QGZVFWFLSA-N 1 1 342.449 4.300 50 0 EIAAMO CC(C)[N@@H+](C)C[C@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1 ZINC000012387095 211364136 /nfs/dbraw/zinc/36/41/36/211364136.db2.gz DPTCKRFBBMMPDQ-QGZVFWFLSA-N 1 1 342.449 4.300 50 0 EIAAMO COc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3CC(C)C)C2)cc1C ZINC000012246343 211329950 /nfs/dbraw/zinc/32/99/50/211329950.db2.gz LEMKJYBDROFACD-SFHVURJKSA-N 1 1 341.499 4.305 50 0 EIAAMO CC(C)=CC[N@H+]1CC[C@@]2(C1)CCCN(Cc1cccc(F)c1F)C2 ZINC000012202425 211320560 /nfs/dbraw/zinc/32/05/60/211320560.db2.gz CDOGWAOIKGSAAG-HXUWFJFHSA-N 1 1 334.454 4.219 50 0 EIAAMO Cc1cccc(C)c1C(=O)N[C@@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000012055480 211284767 /nfs/dbraw/zinc/28/47/67/211284767.db2.gz NTCFIGIBTHSUTE-GOSISDBHSA-N 1 1 328.500 4.220 50 0 EIAAMO C/C=C(\C)C[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(-c2cscn2)cc1 ZINC000011874108 211263738 /nfs/dbraw/zinc/26/37/38/211263738.db2.gz GUBQDVJSYYRPSK-WAQLMLCQSA-N 1 1 341.480 4.179 50 0 EIAAMO CCC[C@@]1(CO)CCC[N@@H+](Cc2cc(-c3ccc(C)cc3)no2)C1 ZINC000091519376 218016481 /nfs/dbraw/zinc/01/64/81/218016481.db2.gz GUAZXXIWVUMNGN-HXUWFJFHSA-N 1 1 328.456 4.025 50 0 EIAAMO Cc1c(C(=O)N(C)CC[N@@H+](C)C2CCCC2)[nH]c2c1c(C)ccc2C ZINC000091793380 218067292 /nfs/dbraw/zinc/06/72/92/218067292.db2.gz RHISRYJETUZGCK-UHFFFAOYSA-N 1 1 341.499 4.040 50 0 EIAAMO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000010310941 211161188 /nfs/dbraw/zinc/16/11/88/211161188.db2.gz UCUCWPMRHLQUQF-SFHVURJKSA-N 1 1 328.843 4.424 50 0 EIAAMO O=C(CC[N@H+]1CCc2sccc2C1)Nc1cccc2ccccc21 ZINC000010093132 211147118 /nfs/dbraw/zinc/14/71/18/211147118.db2.gz VTHQVNFBQIEUIR-UHFFFAOYSA-N 1 1 336.460 4.288 50 0 EIAAMO CC(C)CC[C@]1(CC[NH2+]CCCN(C)C)CCO[C@@H](C(C)C)C1 ZINC000009530619 211099718 /nfs/dbraw/zinc/09/97/18/211099718.db2.gz 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CC[C@](C)(O)CNc1cc(C)[nH+]c2c(OC(F)(F)F)cccc12 ZINC000072286877 563907582 /nfs/dbraw/zinc/90/75/82/563907582.db2.gz KBBNKKWQDFBKLT-HNNXBMFYSA-N 1 1 328.334 4.015 50 0 EIAAMO O=C(CCc1ccccc1)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000029635375 563907620 /nfs/dbraw/zinc/90/76/20/563907620.db2.gz MDXKGWMIZKQNMR-UHFFFAOYSA-N 1 1 343.496 4.090 50 0 EIAAMO Cc1nc(C)c(C[NH+]2CCN(Cc3ccc(C(C)C)cc3)CC2)s1 ZINC000072296391 563912172 /nfs/dbraw/zinc/91/21/72/563912172.db2.gz ORPVKUVYIYVEJA-UHFFFAOYSA-N 1 1 343.540 4.201 50 0 EIAAMO Cc1nc(C)c(CN2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)s1 ZINC000072296391 563912174 /nfs/dbraw/zinc/91/21/74/563912174.db2.gz ORPVKUVYIYVEJA-UHFFFAOYSA-N 1 1 343.540 4.201 50 0 EIAAMO COc1ccc(NC(=O)C[C@H]2c3ccccc3CC(C)(C)[N@@H+]2C)cc1 ZINC000000343587 563917422 /nfs/dbraw/zinc/91/74/22/563917422.db2.gz OTNUDQOBBSOGEU-IBGZPJMESA-N 1 1 338.451 4.032 50 0 biogenic EIAAMO CC(C)(C)c1cc(C[N@H+]2CCCC[C@@H]2CO)cc(C(C)(C)C)c1O ZINC000004948521 563919004 /nfs/dbraw/zinc/91/90/04/563919004.db2.gz 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/nfs/dbraw/zinc/33/62/42/211336242.db2.gz NIPJMQINDGIIRF-QGZVFWFLSA-N 1 1 345.487 4.004 50 0 EIAAMO CCOc1ccccc1-c1nc(C[N@H+]2CCCC[C@H]2COC)c(C)o1 ZINC000011815048 211250952 /nfs/dbraw/zinc/25/09/52/211250952.db2.gz KANNDGAOGXSFSP-INIZCTEOSA-N 1 1 344.455 4.050 50 0 EIAAMO COc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cc(C)cc(C)c2)c1 ZINC000010226000 211155641 /nfs/dbraw/zinc/15/56/41/211155641.db2.gz KLIUFEYFILSISA-HXUWFJFHSA-N 1 1 338.451 4.088 50 0 EIAAMO COc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2cc(C)cc(C)c2)c1 ZINC000010226000 211155645 /nfs/dbraw/zinc/15/56/45/211155645.db2.gz KLIUFEYFILSISA-HXUWFJFHSA-N 1 1 338.451 4.088 50 0 EIAAMO CCC(CC)C[N@H+]1CCC[C@H](c2nccn2Cc2cscn2)C1 ZINC000095355023 218289420 /nfs/dbraw/zinc/28/94/20/218289420.db2.gz SWNPVJSGHHGCAU-INIZCTEOSA-N 1 1 332.517 4.004 50 0 EIAAMO Cc1nnc(C[N@@H+]2CC[C@H](c3cccc(Oc4ccccc4)c3)C2)o1 ZINC000095405399 218340996 /nfs/dbraw/zinc/34/09/96/218340996.db2.gz BJUOFCYDRSTVRE-KRWDZBQOSA-N 1 1 335.407 4.160 50 0 EIAAMO 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ZINC000184367548 533501773 /nfs/dbraw/zinc/50/17/73/533501773.db2.gz MCGHRLKZGQDIDU-UONOGXRCSA-N 1 1 349.463 4.289 50 0 EIAAMO Cc1ccccc1C[N@@H+]1CCN(c2cccc3ccccc32)C(=O)[C@H]1C ZINC000037521190 132395163 /nfs/dbraw/zinc/39/51/63/132395163.db2.gz PIHPNJIJGORSJL-GOSISDBHSA-N 1 1 344.458 4.386 50 0 EIAAMO Cc1ccccc1C[N@H+]1CCN(c2cccc3ccccc32)C(=O)[C@H]1C ZINC000037521190 132395165 /nfs/dbraw/zinc/39/51/65/132395165.db2.gz PIHPNJIJGORSJL-GOSISDBHSA-N 1 1 344.458 4.386 50 0 EIAAMO CCC[N@H+](Cc1ccc(C)cc1C)C[C@H](O)COCc1ccccc1 ZINC000036100787 521683477 /nfs/dbraw/zinc/68/34/77/521683477.db2.gz YZGDHGICJNLWLB-QFIPXVFZSA-N 1 1 341.495 4.093 50 0 EIAAMO Cc1cc(C)cc(C(=O)c2cccc(C[NH+]3CCSCC3)c2)c1 ZINC000002515293 563436448 /nfs/dbraw/zinc/43/64/48/563436448.db2.gz NNTYUYOBXZIRIL-UHFFFAOYSA-N 1 1 325.477 4.083 50 0 EIAAMO CCOc1ccccc1CN1CC[N@H+]2CCC[C@H]2[C@@H]1C1CCCCC1 ZINC000584904384 563602116 /nfs/dbraw/zinc/60/21/16/563602116.db2.gz WLKXQMWVHDLBJL-UNMCSNQZSA-N 1 1 342.527 4.314 50 0 EIAAMO CCCC[N@@H+](C)Cc1c(C)[nH]c2ccc(Br)cc2c1=O ZINC000008663487 563634645 /nfs/dbraw/zinc/63/46/45/563634645.db2.gz ZVBYDEONOULDFL-UHFFFAOYSA-N 1 1 337.261 4.243 50 0 EIAAMO OC[C@]1(CCc2ccccc2)CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000012584556 563663894 /nfs/dbraw/zinc/66/38/94/563663894.db2.gz MDQMBLZIWDVTHT-NRFANRHFSA-N 1 1 327.443 4.033 50 0 EIAAMO CCc1sc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1C ZINC000032667808 563678501 /nfs/dbraw/zinc/67/85/01/563678501.db2.gz KJDYWAGRQFMPMV-HNNXBMFYSA-N 1 1 346.496 4.169 50 0 EIAAMO C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000032777639 563729205 /nfs/dbraw/zinc/72/92/05/563729205.db2.gz QLLGRFSREQQRPP-ZTFGCOKTSA-N 1 1 334.891 4.172 50 0 EIAAMO C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000032777639 563729207 /nfs/dbraw/zinc/72/92/07/563729207.db2.gz QLLGRFSREQQRPP-ZTFGCOKTSA-N 1 1 334.891 4.172 50 0 EIAAMO COc1ccc(-c2noc(C[N@H+](C)[C@@H]3CCCc4ccccc43)n2)cc1 ZINC000015291819 563781505 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CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cc(CC)no2)cc1OCC ZINC000064984400 563957448 /nfs/dbraw/zinc/95/74/48/563957448.db2.gz TZBSGCQMBWIKEU-KRWDZBQOSA-N 1 1 344.455 4.372 50 0 EIAAMO CCOc1ccc(C[N@H+]2CCC[C@H]2c2cc(CC)no2)cc1OCC ZINC000064984400 563957450 /nfs/dbraw/zinc/95/74/50/563957450.db2.gz TZBSGCQMBWIKEU-KRWDZBQOSA-N 1 1 344.455 4.372 50 0 EIAAMO Cc1cc(O)cc(C)c1C[N@H+]1CCO[C@H](CCCc2ccccc2)C1 ZINC000071752447 563965208 /nfs/dbraw/zinc/96/52/08/563965208.db2.gz GPTTYTSDANMALE-OAQYLSRUSA-N 1 1 339.479 4.233 50 0 EIAAMO COc1ccc(O)cc1C[N@H+]1CCC[C@@H](CCc2ccccc2F)C1 ZINC000071760087 563965356 /nfs/dbraw/zinc/96/53/56/563965356.db2.gz FQWAYGGKTJDJMO-INIZCTEOSA-N 1 1 343.442 4.385 50 0 EIAAMO Clc1cccc(C[N@H+]2CCC[C@H](c3nccn3CC3CC3)C2)c1 ZINC000082096522 563972120 /nfs/dbraw/zinc/97/21/20/563972120.db2.gz GUHLGSKPTXEWRA-KRWDZBQOSA-N 1 1 329.875 4.326 50 0 EIAAMO Cc1ccc2oc(C(=O)N3CCC[N@H+](C4CCCCC4)CC3)cc2c1 ZINC000082138660 563972683 /nfs/dbraw/zinc/97/26/83/563972683.db2.gz 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CC[C@H](C)[N@H+](Cc1ccccc1C)C[C@@H](O)COc1ccccc1C ZINC000169681702 564098238 /nfs/dbraw/zinc/09/82/38/564098238.db2.gz NOTLZLDQNKMMMF-PZJWPPBQSA-N 1 1 341.495 4.344 50 0 EIAAMO C[C@@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)Nc1ccc(F)cc1 ZINC000007003186 564103035 /nfs/dbraw/zinc/10/30/35/564103035.db2.gz JERMTFKCMPFKFV-OAHLLOKOSA-N 1 1 341.430 4.255 50 0 EIAAMO CCC[C@H](c1ccccn1)[N@H+](C)[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000089949761 564115820 /nfs/dbraw/zinc/11/58/20/564115820.db2.gz XDSHYHWFEAJAAR-HNAYVOBHSA-N 1 1 343.446 4.329 50 0 EIAAMO CCC[C@H](c1ccccn1)[N@@H+](C)[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000089949761 564115821 /nfs/dbraw/zinc/11/58/21/564115821.db2.gz XDSHYHWFEAJAAR-HNAYVOBHSA-N 1 1 343.446 4.329 50 0 EIAAMO COc1ccc(C[N@H+]([C@@H](C)C(=O)c2c[nH]c3ccccc23)C2CC2)cc1 ZINC000007662267 564121703 /nfs/dbraw/zinc/12/17/03/564121703.db2.gz AHRACTHGAOYJCC-HNNXBMFYSA-N 1 1 348.446 4.412 50 0 EIAAMO COc1ccc(C[N@@H+]([C@@H](C)C(=O)c2c[nH]c3ccccc23)C2CC2)cc1 ZINC000007662267 564121704 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C[C@H](C(=O)Nc1ccc(F)cc1)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000008226146 564163705 /nfs/dbraw/zinc/16/37/05/564163705.db2.gz QOEZJEDASGJPBH-OAHLLOKOSA-N 1 1 336.410 4.438 50 0 EIAAMO Cc1ccsc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000008309971 564164170 /nfs/dbraw/zinc/16/41/70/564164170.db2.gz NFJILLSAWTUMQJ-NSHDSACASA-N 1 1 340.851 4.308 50 0 EIAAMO Cc1ccsc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000008309971 564164171 /nfs/dbraw/zinc/16/41/71/564164171.db2.gz NFJILLSAWTUMQJ-NSHDSACASA-N 1 1 340.851 4.308 50 0 EIAAMO Cc1ccccc1-c1noc(C[N@@H+]2CCC[C@H]2c2cccs2)n1 ZINC000008328367 564164467 /nfs/dbraw/zinc/16/44/67/564164467.db2.gz PZOBCUHTVDRRBE-HNNXBMFYSA-N 1 1 325.437 4.444 50 0 EIAAMO Cc1ccccc1-c1noc(C[N@H+]2CCC[C@H]2c2cccs2)n1 ZINC000008328367 564164468 /nfs/dbraw/zinc/16/44/68/564164468.db2.gz PZOBCUHTVDRRBE-HNNXBMFYSA-N 1 1 325.437 4.444 50 0 EIAAMO Cc1ccccc1-c1noc(C[N@@H+]2CCC[C@@H]2c2cccs2)n1 ZINC000008328366 564164477 /nfs/dbraw/zinc/16/44/77/564164477.db2.gz 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564170720 /nfs/dbraw/zinc/17/07/20/564170720.db2.gz WHWYKLSKTMWFKO-UHFFFAOYSA-N 1 1 331.407 4.226 50 0 EIAAMO Cc1ccsc1C[N@H+](Cc1nccn1CC(F)(F)F)C(C)C ZINC000069585969 564170721 /nfs/dbraw/zinc/17/07/21/564170721.db2.gz WHWYKLSKTMWFKO-UHFFFAOYSA-N 1 1 331.407 4.226 50 0 EIAAMO COc1cc(C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)cc(OC)c1O ZINC000015836682 568420119 /nfs/dbraw/zinc/42/01/19/568420119.db2.gz AHTSWLWTFJWSHC-INIZCTEOSA-N 1 1 347.842 4.400 50 0 EIAAMO COc1cc(C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)cc(OC)c1O ZINC000015836682 568420121 /nfs/dbraw/zinc/42/01/21/568420121.db2.gz AHTSWLWTFJWSHC-INIZCTEOSA-N 1 1 347.842 4.400 50 0 EIAAMO CC(C)[N@H+](Cc1ncc(C2OCCO2)s1)[C@@H](C)c1ccccc1 ZINC000292791617 1023460333 /nfs/dbraw/zinc/46/03/33/1023460333.db2.gz MMRXGPYSNTZZLG-AWEZNQCLSA-N 1 1 332.469 4.160 50 0 EIAAMO CC(C)[N@@H+](Cc1ncc(C2OCCO2)s1)[C@@H](C)c1ccccc1 ZINC000292791617 1023460335 /nfs/dbraw/zinc/46/03/35/1023460335.db2.gz MMRXGPYSNTZZLG-AWEZNQCLSA-N 1 1 332.469 4.160 50 0 EIAAMO CC(=O)c1cc(C[N@@H+]2CCC[C@@H](Nc3ccc(F)cc3)C2)cs1 ZINC000012713838 1024093942 /nfs/dbraw/zinc/09/39/42/1024093942.db2.gz MJFYAIRIZLFYBP-QGZVFWFLSA-N 1 1 332.444 4.166 50 0 EIAAMO CC(=O)c1cc(C[N@H+]2CCC[C@@H](Nc3ccc(F)cc3)C2)cs1 ZINC000012713838 1024093966 /nfs/dbraw/zinc/09/39/66/1024093966.db2.gz MJFYAIRIZLFYBP-QGZVFWFLSA-N 1 1 332.444 4.166 50 0 EIAAMO CC[C@H]1CCCC[N@H+]1Cc1cc(OC)c(OC)cc1Br ZINC000023280544 1031336393 /nfs/dbraw/zinc/33/63/93/1031336393.db2.gz QGCBFFQJWJNOSG-ZDUSSCGKSA-N 1 1 342.277 4.231 50 0 EIAAMO CCC[N@@H+](C)C[C@H]1CCN(Cc2ncc(-c3ccccc3Cl)o2)C1 ZINC000081571118 1040083685 /nfs/dbraw/zinc/08/36/85/1040083685.db2.gz KRYMVIMIPBDXAH-OAHLLOKOSA-N 1 1 347.890 4.159 50 0 EIAAMO Fc1cccc(F)c1-c1ccc(C[NH2+]Cc2cnc3n2CCCC3)o1 ZINC000376729410 1045244561 /nfs/dbraw/zinc/24/45/61/1045244561.db2.gz PWVKMHVFEANAAW-UHFFFAOYSA-N 1 1 343.377 4.047 50 0 EIAAMO Cc1ccc(C[NH+]2CCC(Cn3c(C)cnc3C3CCC3)CC2)o1 ZINC000575548721 1045258542 /nfs/dbraw/zinc/25/85/42/1045258542.db2.gz CXNDAMXQWAXAFU-UHFFFAOYSA-N 1 1 327.472 4.273 50 0 EIAAMO CCC[N@@H+]1CCC[C@@H]1c1nc(C2(c3cccc(OC)c3)CCC2)no1 ZINC000952845745 1049676228 /nfs/dbraw/zinc/67/62/28/1049676228.db2.gz PZDJWVFETKPGOS-QGZVFWFLSA-N 1 1 341.455 4.095 50 0 EIAAMO CCC[N@H+]1CCC[C@@H]1c1nc(C2(c3cccc(OC)c3)CCC2)no1 ZINC000952845745 1049676230 /nfs/dbraw/zinc/67/62/30/1049676230.db2.gz PZDJWVFETKPGOS-QGZVFWFLSA-N 1 1 341.455 4.095 50 0 EIAAMO Cc1ccc([C@H]([NH2+]Cc2cnn(C(C)C)c2)c2cccnc2)cc1C ZINC000952871950 1049678223 /nfs/dbraw/zinc/67/82/23/1049678223.db2.gz HSTFICJXDPFBAJ-NRFANRHFSA-N 1 1 334.467 4.355 50 0 EIAAMO Clc1ccncc1C[NH2+]C[C@H](c1ccccc1)N1CCCCCC1 ZINC000952863913 1049680489 /nfs/dbraw/zinc/68/04/89/1049680489.db2.gz GTMHCNQXSFUGOA-HXUWFJFHSA-N 1 1 343.902 4.442 50 0 EIAAMO C[C@H](c1cccnc1)[N@@H+](C)CCc1cc(Cl)c2c(c1)OCCCO2 ZINC000179626143 1049692030 /nfs/dbraw/zinc/69/20/30/1049692030.db2.gz LFQYHQIMQAJREG-CQSZACIVSA-N 1 1 346.858 4.132 50 0 EIAAMO CCCn1c(C)c[nH+]c1C[C@H]1CCCN(C(=O)CC2CCCCC2)C1 ZINC000581816654 1060023097 /nfs/dbraw/zinc/02/30/97/1060023097.db2.gz JJOWDQPPBVUOIP-LJQANCHMSA-N 1 1 345.531 4.353 50 0 EIAAMO Cc1noc(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(-c2cc[nH]n2)s1 ZINC000097609992 219040500 /nfs/dbraw/zinc/04/05/00/219040500.db2.gz HWESXJSWQHPAHJ-HNNXBMFYSA-N 1 1 328.441 4.080 50 0 EIAAMO CCCOc1ccc(C(=O)OCC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000051330955 214088964 /nfs/dbraw/zinc/08/89/64/214088964.db2.gz FWXSOJYBKRVMJS-FXAWDEMLSA-N 1 1 345.483 4.287 50 0 EIAAMO CCSCCC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000054012145 214210802 /nfs/dbraw/zinc/21/08/02/214210802.db2.gz KDGVHBHHBUMIGS-UHFFFAOYSA-N 1 1 331.485 4.137 50 0 EIAAMO CC[C@@H](C)[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1cccnc1 ZINC000055167768 214283298 /nfs/dbraw/zinc/28/32/98/214283298.db2.gz KUKJKWSYUPUOSY-OAHLLOKOSA-N 1 1 338.430 4.412 50 0 EIAAMO Cc1ccc(Oc2ncccc2C[NH2+]Cc2ccccn2)c(F)c1F ZINC000055341120 214308718 /nfs/dbraw/zinc/30/87/18/214308718.db2.gz OQRWBMABOPUAGR-UHFFFAOYSA-N 1 1 341.361 4.145 50 0 EIAAMO C[C@@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)c1cccc(Cl)c1 ZINC000058345330 214556984 /nfs/dbraw/zinc/55/69/84/214556984.db2.gz VLOQQAOSZMHKHR-DNVCBOLYSA-N 1 1 342.870 4.182 50 0 EIAAMO CC(C)(C)n1cc(C2=CC[N@@H+](Cc3cccc4cccnc43)CC2)cn1 ZINC000065373696 214878606 /nfs/dbraw/zinc/87/86/06/214878606.db2.gz LSIIICQQFHITJU-UHFFFAOYSA-N 1 1 346.478 4.476 50 0 EIAAMO CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+]4CCCC(C)(C)C4)[C@H]3C=C12 ZINC000004028446 210103367 /nfs/dbraw/zinc/10/33/67/210103367.db2.gz MWMPYXXDHZQTTO-VALFRTSSSA-N 1 1 343.511 4.343 50 0 biogenic EIAAMO C[C@H]1CCC[N@@H+](C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)C1 ZINC000004024570 210101261 /nfs/dbraw/zinc/10/12/61/210101261.db2.gz RBCKIFIDZCUQEN-OCJCKOLGSA-N 1 1 331.500 4.033 50 0 biogenic EIAAMO CCCC[N@@H+](C)C1CCN(C(=S)Nc2cc(C)ccc2C)CC1 ZINC000003588687 210058768 /nfs/dbraw/zinc/05/87/68/210058768.db2.gz SRULDYRJEJNPKU-UHFFFAOYSA-N 1 1 333.545 4.197 50 0 EIAAMO Cc1ccccc1C[N@H+](C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000003327163 210008348 /nfs/dbraw/zinc/00/83/48/210008348.db2.gz RGRKTYQAFASMPE-UHFFFAOYSA-N 1 1 337.250 4.372 50 0 EIAAMO Cc1ccccc1C[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000003327163 210008351 /nfs/dbraw/zinc/00/83/51/210008351.db2.gz RGRKTYQAFASMPE-UHFFFAOYSA-N 1 1 337.250 4.372 50 0 EIAAMO COc1cccc(C[N@H+](C)CC(=O)Nc2c(C)cccc2C(C)C)c1 ZINC000003335729 210011032 /nfs/dbraw/zinc/01/10/32/210011032.db2.gz HMNIPOLHAZLKJL-UHFFFAOYSA-N 1 1 340.467 4.198 50 0 EIAAMO COc1cccc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2C(C)C)c1 ZINC000003335729 210011036 /nfs/dbraw/zinc/01/10/36/210011036.db2.gz HMNIPOLHAZLKJL-UHFFFAOYSA-N 1 1 340.467 4.198 50 0 EIAAMO CC(C)c1cc(C2CC[NH+](Cc3cccc(-n4cccn4)c3)CC2)n[nH]1 ZINC000067459566 215149324 /nfs/dbraw/zinc/14/93/24/215149324.db2.gz DEPZWYAHXKHLBP-UHFFFAOYSA-N 1 1 349.482 4.098 50 0 EIAAMO Fc1ccc(CN2CC[N@H+]3CCC[C@H]3[C@H]2C2CCCCC2)cc1F ZINC000104276696 219368840 /nfs/dbraw/zinc/36/88/40/219368840.db2.gz PAVUUPCGSDKDRN-VQTJNVASSA-N 1 1 334.454 4.194 50 0 EIAAMO COc1cccc([C@H]2CCC[N@@H+]2Cc2nnc(-c3ccccc3)o2)c1 ZINC000040485144 213315300 /nfs/dbraw/zinc/31/53/00/213315300.db2.gz LXKCKLXCMRVZFM-GOSISDBHSA-N 1 1 335.407 4.082 50 0 EIAAMO COc1cccc([C@H]2CCC[N@H+]2Cc2nnc(-c3ccccc3)o2)c1 ZINC000040485144 213315303 /nfs/dbraw/zinc/31/53/03/213315303.db2.gz LXKCKLXCMRVZFM-GOSISDBHSA-N 1 1 335.407 4.082 50 0 EIAAMO CCOc1ccccc1-c1noc(C[NH2+][C@H](c2ccccc2)C2CC2)n1 ZINC000040033505 213252919 /nfs/dbraw/zinc/25/29/19/213252919.db2.gz LJTVGGPYGMXVFN-HXUWFJFHSA-N 1 1 349.434 4.376 50 0 EIAAMO COc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccccc2)cc1 ZINC000036347911 213085827 /nfs/dbraw/zinc/08/58/27/213085827.db2.gz MOCTZIFGGDZGNT-QFIPXVFZSA-N 1 1 332.447 4.492 50 0 EIAAMO CC(C)CC[N@H+](Cc1ccccc1F)C[C@@H](O)Cc1ccccc1 ZINC000036096343 213062523 /nfs/dbraw/zinc/06/25/23/213062523.db2.gz YUSNATYSGRQYJC-FQEVSTJZSA-N 1 1 329.459 4.277 50 0 EIAAMO Fc1ccc(CC[C@H]2CCC[N@@H+](CCc3ccccn3)C2)c(F)c1 ZINC000072147552 216035159 /nfs/dbraw/zinc/03/51/59/216035159.db2.gz SDBDWWBTUOMLDZ-MRXNPFEDSA-N 1 1 330.422 4.247 50 0 EIAAMO C[N@@H+](CCC(=O)Nc1cccc(Cl)c1)[C@H]1CCc2ccccc21 ZINC000023146090 212355284 /nfs/dbraw/zinc/35/52/84/212355284.db2.gz HMRWABYNFASQFP-SFHVURJKSA-N 1 1 328.843 4.288 50 0 EIAAMO COc1ccc(C[NH2+][C@@H](C)c2ccccc2Cl)c(OC)c1OC ZINC000022781151 212323484 /nfs/dbraw/zinc/32/34/84/212323484.db2.gz QWBQVNHVNXXLCE-LBPRGKRZSA-N 1 1 335.831 4.217 50 0 EIAAMO CCn1ccc2c1cccc2C[N@H+](Cc1ccccn1)C[C@H]1CCCO1 ZINC000215238553 241114185 /nfs/dbraw/zinc/11/41/85/241114185.db2.gz FATJBTJXIBCIOC-HXUWFJFHSA-N 1 1 349.478 4.237 50 0 EIAAMO c1csc([C@H]2CCCC[N@H+]2Cc2ccc(-c3cc[nH]n3)s2)n1 ZINC000215392929 241123437 /nfs/dbraw/zinc/12/34/37/241123437.db2.gz ZZMRREJSYBHNBO-CQSZACIVSA-N 1 1 330.482 4.322 50 0 EIAAMO c1csc([C@H]2CCCC[N@@H+]2Cc2ccc(-c3cc[nH]n3)s2)n1 ZINC000215392929 241123441 /nfs/dbraw/zinc/12/34/41/241123441.db2.gz ZZMRREJSYBHNBO-CQSZACIVSA-N 1 1 330.482 4.322 50 0 EIAAMO CCc1onc(C)c1[C@H]1CCC[N@H+]1Cc1c[nH]nc1-c1ccccc1 ZINC000021720801 212244608 /nfs/dbraw/zinc/24/46/08/212244608.db2.gz YDBWRMBGTGSBFL-QGZVFWFLSA-N 1 1 336.439 4.273 50 0 EIAAMO CCCOc1ccc(C(=O)OCC[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000226328492 242098833 /nfs/dbraw/zinc/09/88/33/242098833.db2.gz FWXSOJYBKRVMJS-XLIONFOSSA-N 1 1 345.483 4.287 50 0 EIAAMO Cc1cccc(C[N@@H+]2CCc3nc(Nc4ccc(F)cc4)ncc3C2)c1 ZINC000021639743 212236636 /nfs/dbraw/zinc/23/66/36/212236636.db2.gz GHRHIMGRIONYIT-UHFFFAOYSA-N 1 1 348.425 4.226 50 0 EIAAMO Cc1cccc(C[N@H+]2CCc3nc(Nc4ccc(F)cc4)ncc3C2)c1 ZINC000021639743 212236640 /nfs/dbraw/zinc/23/66/40/212236640.db2.gz GHRHIMGRIONYIT-UHFFFAOYSA-N 1 1 348.425 4.226 50 0 EIAAMO Clc1ccc2[nH]c([C@@H]3CCC[N@H+]3CCCc3cccnc3)nc2c1 ZINC000244712669 243062881 /nfs/dbraw/zinc/06/28/81/243062881.db2.gz KUAWBDIMAVFXOI-SFHVURJKSA-N 1 1 340.858 4.381 50 0 EIAAMO Clc1ccc2nc([C@@H]3CCC[N@@H+]3CCCc3cccnc3)[nH]c2c1 ZINC000244712669 243062885 /nfs/dbraw/zinc/06/28/85/243062885.db2.gz KUAWBDIMAVFXOI-SFHVURJKSA-N 1 1 340.858 4.381 50 0 EIAAMO Clc1ccc2nc([C@@H]3CCC[N@H+]3CCCc3cccnc3)[nH]c2c1 ZINC000244712669 243062889 /nfs/dbraw/zinc/06/28/89/243062889.db2.gz KUAWBDIMAVFXOI-SFHVURJKSA-N 1 1 340.858 4.381 50 0 EIAAMO CNc1nc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)cs1 ZINC000244816793 243084030 /nfs/dbraw/zinc/08/40/30/243084030.db2.gz SOOYTJCKHROQRS-GFCCVEGCSA-N 1 1 344.509 4.174 50 0 EIAAMO CNc1nc(C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)cs1 ZINC000244816793 243084038 /nfs/dbraw/zinc/08/40/38/243084038.db2.gz SOOYTJCKHROQRS-GFCCVEGCSA-N 1 1 344.509 4.174 50 0 EIAAMO Cc1cc(C)nc(C[N@H+](C)CCC(=O)Nc2ccccc2C(C)C)c1 ZINC000244884135 243096671 /nfs/dbraw/zinc/09/66/71/243096671.db2.gz YGBGLFVDBBVXTK-UHFFFAOYSA-N 1 1 339.483 4.282 50 0 EIAAMO Cc1csc(C2([NH2+]Cc3ccc(C)c(Cl)c3)CCOCC2)n1 ZINC000253432277 243990192 /nfs/dbraw/zinc/99/01/92/243990192.db2.gz YAAJDAJLHPCFHG-UHFFFAOYSA-N 1 1 336.888 4.209 50 0 EIAAMO COc1cc(C[N@H+]2CCC[C@@H](c3n[nH]cc3CC(C)C)C2)ccc1F ZINC000019837852 212074540 /nfs/dbraw/zinc/07/45/40/212074540.db2.gz QCZPOJIWCIMVMD-MRXNPFEDSA-N 1 1 345.462 4.136 50 0 EIAAMO COC[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccc(Cl)cc2)oc1C ZINC000012456567 211385743 /nfs/dbraw/zinc/38/57/43/211385743.db2.gz SYQVQGJKXXBCHP-INIZCTEOSA-N 1 1 334.847 4.304 50 0 EIAAMO O=C(c1cccc2ccccc21)N1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000012386256 211364101 /nfs/dbraw/zinc/36/41/01/211364101.db2.gz PHMVNGYXFHPMRA-QHCPKHFHSA-N 1 1 348.490 4.178 50 0 EIAAMO O=C(c1ccc2c3c(cccc31)CC2)[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000012303495 211338451 /nfs/dbraw/zinc/33/84/51/211338451.db2.gz LITNMXPYSJKYTE-SFHVURJKSA-N 1 1 349.474 4.012 50 0 EIAAMO CC(C)=CC[N@H+]1CC[C@]2(C1)CCCN(Cc1cccc(F)c1F)C2 ZINC000012202420 211319866 /nfs/dbraw/zinc/31/98/66/211319866.db2.gz CDOGWAOIKGSAAG-FQEVSTJZSA-N 1 1 334.454 4.219 50 0 EIAAMO CCc1c(C)scc1C(=O)N1CCCC[C@@H]1CCn1cc[nH+]c1C ZINC000091713076 218052273 /nfs/dbraw/zinc/05/22/73/218052273.db2.gz LQYXJPXJKZSBRV-MRXNPFEDSA-N 1 1 345.512 4.209 50 0 EIAAMO CC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(-c3cccc(OC)c3)cc2)C1 ZINC000011760089 211245223 /nfs/dbraw/zinc/24/52/23/211245223.db2.gz CACIEFVDIKKESN-GOSISDBHSA-N 1 1 338.451 4.033 50 0 EIAAMO CC[C@@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc(C)cc1 ZINC000011266556 211210216 /nfs/dbraw/zinc/21/02/16/211210216.db2.gz HWWVDTCGWMCXKM-WOJBJXKFSA-N 1 1 340.442 4.195 50 0 EIAAMO Cc1ccc(C[N@@H+](C)[C@@H](C)c2nnc(-c3ccc(F)cc3)o2)cc1 ZINC000009595471 211105076 /nfs/dbraw/zinc/10/50/76/211105076.db2.gz NTGPHOMEEUXWQO-AWEZNQCLSA-N 1 1 325.387 4.377 50 0 EIAAMO Cc1ccc(C[N@H+](C)[C@@H](C)c2nnc(-c3ccc(F)cc3)o2)cc1 ZINC000009595471 211105077 /nfs/dbraw/zinc/10/50/77/211105077.db2.gz NTGPHOMEEUXWQO-AWEZNQCLSA-N 1 1 325.387 4.377 50 0 EIAAMO COc1ccccc1-c1noc(C[N@@H+]2CCC[C@@H]2c2cccs2)n1 ZINC000009514683 211094590 /nfs/dbraw/zinc/09/45/90/211094590.db2.gz YDRONRODBJNAJR-CQSZACIVSA-N 1 1 341.436 4.144 50 0 EIAAMO COc1ccccc1-c1noc(C[N@H+]2CCC[C@@H]2c2cccs2)n1 ZINC000009514683 211094595 /nfs/dbraw/zinc/09/45/95/211094595.db2.gz YDRONRODBJNAJR-CQSZACIVSA-N 1 1 341.436 4.144 50 0 EIAAMO Cn1c2ccccc2[nH+]c1NCc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000009261985 211060276 /nfs/dbraw/zinc/06/02/76/211060276.db2.gz LRKGPVWNDFLOLD-UHFFFAOYSA-N 1 1 337.814 4.229 50 0 EIAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2csc3c2CCCCC3)C1 ZINC000005070444 210383178 /nfs/dbraw/zinc/38/31/78/210383178.db2.gz PEGBPTHNDSZBQP-IYBDPMFKSA-N 1 1 348.556 4.115 50 0 EIAAMO CCCCCCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)OCC)C2)cc1 ZINC000004988010 210351570 /nfs/dbraw/zinc/35/15/70/210351570.db2.gz BDDGVQWUFQGKSV-LJQANCHMSA-N 1 1 347.499 4.421 50 0 EIAAMO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)Nc1cccc(Cl)c1 ZINC000004907261 210318639 /nfs/dbraw/zinc/31/86/39/210318639.db2.gz URTZQZTWKZBPPM-UHFFFAOYSA-N 1 1 342.870 4.233 50 0 EIAAMO COc1cc2c(cc1OC)C[N@@H+](Cc1cccc3ccccc31)CC2 ZINC000004834210 210291950 /nfs/dbraw/zinc/29/19/50/210291950.db2.gz BBCSRHLFAPAGES-UHFFFAOYSA-N 1 1 333.431 4.415 50 0 EIAAMO COCc1ccc(C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)o1 ZINC000097494370 219029309 /nfs/dbraw/zinc/02/93/09/219029309.db2.gz DDZVNOFMNMFSMI-HNNXBMFYSA-N 1 1 342.439 4.053 50 0 EIAAMO CO[C@H]1CC[C@@]2(OC)CC[N@@H+](Cc3ccc(CC(C)C)cc3)[C@H]2C1 ZINC000426470920 257967674 /nfs/dbraw/zinc/96/76/74/257967674.db2.gz VIGBRTUBYXJZNT-PCCBWWKXSA-N 1 1 331.500 4.044 50 0 EIAAMO COc1ccccc1[C@H]1C[N@H+](Cc2ccco2)Cc2ccccc2O1 ZINC000299776026 258086776 /nfs/dbraw/zinc/08/67/76/258086776.db2.gz MRRZTQADEHDRTO-OAQYLSRUSA-N 1 1 335.403 4.424 50 0 EIAAMO COc1ccccc1[C@H]1C[N@@H+](Cc2ccco2)Cc2ccccc2O1 ZINC000299776026 258086778 /nfs/dbraw/zinc/08/67/78/258086778.db2.gz MRRZTQADEHDRTO-OAQYLSRUSA-N 1 1 335.403 4.424 50 0 EIAAMO C[N@H+](CC(=O)Nc1ccc(-c2ccccc2)cc1)Cc1ccccc1 ZINC000007785803 258053201 /nfs/dbraw/zinc/05/32/01/258053201.db2.gz OHBVYWFTLBSWRG-UHFFFAOYSA-N 1 1 330.431 4.424 50 0 EIAAMO C[N@@H+](CC(=O)Nc1ccc(-c2ccccc2)cc1)Cc1ccccc1 ZINC000007785803 258053202 /nfs/dbraw/zinc/05/32/02/258053202.db2.gz OHBVYWFTLBSWRG-UHFFFAOYSA-N 1 1 330.431 4.424 50 0 EIAAMO CC[N@H+]1CCC[C@@H]1CNCc1csc(-c2ccc(Cl)cc2)n1 ZINC000025540732 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Nc1nc(-c2ccccc2)[nH+]c(N)c1Cc1ccc(Cl)cc1Cl ZINC000002559816 563441612 /nfs/dbraw/zinc/44/16/12/563441612.db2.gz APOKQUMQMDXZBC-UHFFFAOYSA-N 1 1 345.233 4.206 50 0 EIAAMO OCC[N@H+](Cc1ccccc1)CC(c1ccccc1)c1ccccc1 ZINC000005649958 563544116 /nfs/dbraw/zinc/54/41/16/563544116.db2.gz OXCJCYAXLRPQRW-UHFFFAOYSA-N 1 1 331.459 4.313 50 0 EIAAMO CC(C)([NH2+]Cc1ccc(F)c(Br)c1)c1nccs1 ZINC000071909499 563575224 /nfs/dbraw/zinc/57/52/24/563575224.db2.gz LCZKOYULKNDBJJ-UHFFFAOYSA-N 1 1 329.238 4.070 50 0 EIAAMO Cc1cccc(C)c1NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000071911716 563586348 /nfs/dbraw/zinc/58/63/48/563586348.db2.gz IGPYNVWOPXOSNE-OALUTQOASA-N 1 1 343.515 4.422 50 0 EIAAMO CC(C)[C@@H]1C[C@@H](Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CS1 ZINC000331380854 563586690 /nfs/dbraw/zinc/58/66/90/563586690.db2.gz IQQKRJCOWHHCOJ-SQNIBIBYSA-N 1 1 347.528 4.128 50 0 EIAAMO [NH3+][C@H](Cc1ccccc1)c1nnc(SCc2ccccc2Cl)o1 ZINC000008517601 563631578 /nfs/dbraw/zinc/63/15/78/563631578.db2.gz 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/nfs/dbraw/zinc/86/92/65/563869265.db2.gz JBDQMLOBLKXCKT-HXUWFJFHSA-N 1 1 335.451 4.456 50 0 EIAAMO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000024829123 563876277 /nfs/dbraw/zinc/87/62/77/563876277.db2.gz WXJHRIDRRKUYAX-KRWDZBQOSA-N 1 1 348.368 4.309 50 0 EIAAMO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000024829123 563876280 /nfs/dbraw/zinc/87/62/80/563876280.db2.gz WXJHRIDRRKUYAX-KRWDZBQOSA-N 1 1 348.368 4.309 50 0 EIAAMO Cc1c(O)ccc2c(C[N@H+](C)[C@H](C)c3cccs3)cc(=O)oc12 ZINC000027554848 563896636 /nfs/dbraw/zinc/89/66/36/563896636.db2.gz GFDIADMBAODXEO-GFCCVEGCSA-N 1 1 329.421 4.062 50 0 EIAAMO C[N@@H+](Cc1ccc2ccccc2c1)Cc1cc(F)cc2c1OCOC2 ZINC000027536679 563896685 /nfs/dbraw/zinc/89/66/85/563896685.db2.gz BKWOYIJIIWMZGM-UHFFFAOYSA-N 1 1 337.394 4.477 50 0 EIAAMO C[C@H]1c2cccn2CC[N@@H+]1CCC(=O)Nc1cccc2ccccc21 ZINC000028889434 563904442 /nfs/dbraw/zinc/90/44/42/563904442.db2.gz IESFBCAGSXPKFT-INIZCTEOSA-N 1 1 333.435 4.047 50 0 EIAAMO Cc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCc3ccccc32)cc1Cl ZINC000029482564 563906502 /nfs/dbraw/zinc/90/65/02/563906502.db2.gz NNRIVKBJEVNGQY-GOSISDBHSA-N 1 1 328.843 4.206 50 0 EIAAMO C[N@@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1CCc2ccccc21 ZINC000029482271 563906579 /nfs/dbraw/zinc/90/65/79/563906579.db2.gz VHGYWYZOMPSGHF-KRWDZBQOSA-N 1 1 348.368 4.263 50 0 EIAAMO C[C@H](Cc1ccccc1F)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022455339 563918612 /nfs/dbraw/zinc/91/86/12/563918612.db2.gz PQEUZROJYNBAQX-QPGLYAHGSA-N 1 1 338.470 4.088 50 0 EIAAMO COc1ccc(OC)c(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000004986086 563919046 /nfs/dbraw/zinc/91/90/46/563919046.db2.gz SSAPKQKZXANFET-UHFFFAOYSA-N 1 1 327.399 4.132 50 0 EIAAMO COc1c(C)c[nH+]c(CN(Cc2ccco2)Cc2ccco2)c1C ZINC000058196372 563939539 /nfs/dbraw/zinc/93/95/39/563939539.db2.gz YTWLKQDQBZMFPM-UHFFFAOYSA-N 1 1 326.396 4.095 50 0 EIAAMO COc1ccccc1[C@H]1CC[N@@H+](Cc2nnc(-c3cccc(C)c3)o2)C1 ZINC000096469701 563954492 /nfs/dbraw/zinc/95/44/92/563954492.db2.gz 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CC(C)c1noc([C@H](C)[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)n1 ZINC000024667957 564082922 /nfs/dbraw/zinc/08/29/22/564082922.db2.gz XOMCAFQNIFMDKF-UONOGXRCSA-N 1 1 340.427 4.275 50 0 EIAAMO CC(C)c1noc([C@H](C)[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)n1 ZINC000024667957 564082923 /nfs/dbraw/zinc/08/29/23/564082923.db2.gz XOMCAFQNIFMDKF-UONOGXRCSA-N 1 1 340.427 4.275 50 0 EIAAMO C[N@@H+](C[C@@H](O)COc1ccc(-c2ccccc2)cc1)C1CCCCC1 ZINC000006356968 564085292 /nfs/dbraw/zinc/08/52/92/564085292.db2.gz BSUZRRRWQJRWOS-OAQYLSRUSA-N 1 1 339.479 4.358 50 0 EIAAMO Cc1cccc(C)c1OC[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000239539191 564088174 /nfs/dbraw/zinc/08/81/74/564088174.db2.gz AVTOQKCDIIRURG-PMACEKPBSA-N 1 1 343.442 4.019 50 0 EIAAMO C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000241132999 564088282 /nfs/dbraw/zinc/08/82/82/564088282.db2.gz JNXFHXBIGYBAHO-DOMZBBRYSA-N 1 1 326.425 4.091 50 0 EIAAMO C[C@H](c1nc(-c2cccnc2)no1)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000241132999 564088283 /nfs/dbraw/zinc/08/82/83/564088283.db2.gz JNXFHXBIGYBAHO-DOMZBBRYSA-N 1 1 326.425 4.091 50 0 EIAAMO CC(C)c1ccc(NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000075572448 564089614 /nfs/dbraw/zinc/08/96/14/564089614.db2.gz HSJFLDDXFWRCJI-KRWDZBQOSA-N 1 1 331.504 4.444 50 0 EIAAMO Cc1cc(C2CCC2)nc(-c2ccc([C@@H](C)[NH+]3CCOCC3)cc2)n1 ZINC000426492813 564093864 /nfs/dbraw/zinc/09/38/64/564093864.db2.gz MTEKOINBKGBJBD-MRXNPFEDSA-N 1 1 337.467 4.113 50 0 EIAAMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccc(-c2ccc3occc3c2)cc1 ZINC000426684482 564094365 /nfs/dbraw/zinc/09/43/65/564094365.db2.gz NASUYZWTZOFIRP-MRXNPFEDSA-N 1 1 348.446 4.124 50 0 EIAAMO CC[C@@H](C)[N@H+](Cc1cc(C)ccc1C)C[C@@H](O)COCc1ccco1 ZINC000169679089 564098139 /nfs/dbraw/zinc/09/81/39/564098139.db2.gz SNVSHTKNKJZTEN-UYAOXDASSA-N 1 1 345.483 4.075 50 0 EIAAMO Cc1ccccc1C[N@H+]1CCCC[C@H]1c1nc(-c2cccnc2)no1 ZINC000065286077 564104422 /nfs/dbraw/zinc/10/44/22/564104422.db2.gz GGXRTAQILCOINR-SFHVURJKSA-N 1 1 334.423 4.167 50 0 EIAAMO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000007386008 564107653 /nfs/dbraw/zinc/10/76/53/564107653.db2.gz GVLDSEQXKJISGZ-TUAOUCFPSA-N 1 1 329.271 4.298 50 0 EIAAMO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000007386008 564107654 /nfs/dbraw/zinc/10/76/54/564107654.db2.gz GVLDSEQXKJISGZ-TUAOUCFPSA-N 1 1 329.271 4.298 50 0 EIAAMO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccc(C)c(C)c2)c1 ZINC000065590598 564107895 /nfs/dbraw/zinc/10/78/95/564107895.db2.gz GNZMTZKVOPYDJA-UHFFFAOYSA-N 1 1 325.456 4.077 50 0 EIAAMO O=C([C@@H]([NH2+][C@H]1CCc2ccccc21)c1ccccc1)N1CCCCC1 ZINC000089825758 564114068 /nfs/dbraw/zinc/11/40/68/564114068.db2.gz AMMVVOCZZCQNTQ-SFTDATJTSA-N 1 1 334.463 4.017 50 0 EIAAMO Cc1ccc(SCCOCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000002191172 564120709 /nfs/dbraw/zinc/12/07/09/564120709.db2.gz QRLIGEHLZYBXOP-UHFFFAOYSA-N 1 1 327.493 4.162 50 0 EIAAMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc3ccccc32)cc1 ZINC000007652750 564121550 /nfs/dbraw/zinc/12/15/50/564121550.db2.gz RLDYCSNQOIOQLU-INIZCTEOSA-N 1 1 348.446 4.307 50 0 EIAAMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc3ccccc32)cc1 ZINC000007652750 564121551 /nfs/dbraw/zinc/12/15/51/564121551.db2.gz RLDYCSNQOIOQLU-INIZCTEOSA-N 1 1 348.446 4.307 50 0 EIAAMO Cc1[nH]c2ccccc2c1C(=O)C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000007788804 564123310 /nfs/dbraw/zinc/12/33/10/564123310.db2.gz VFJHONPCJCMHAR-UHFFFAOYSA-N 1 1 336.410 4.463 50 0 EIAAMO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000007788804 564123311 /nfs/dbraw/zinc/12/33/11/564123311.db2.gz VFJHONPCJCMHAR-UHFFFAOYSA-N 1 1 336.410 4.463 50 0 EIAAMO Cn1nc(C(F)(F)F)c(C[N@H+]2CCC[C@@H]2C2CCCC2)c1Cl ZINC000096006924 564144522 /nfs/dbraw/zinc/14/45/22/564144522.db2.gz SVKLNUQBMASCTP-GFCCVEGCSA-N 1 1 335.801 4.247 50 0 EIAAMO CCC[N@H+]1CCC(c2ccccc2)=C(C(=O)OCc2ccccc2)C1 ZINC000096028213 564145052 /nfs/dbraw/zinc/14/50/52/564145052.db2.gz PEFQKJKHTZYYKG-UHFFFAOYSA-N 1 1 335.447 4.299 50 0 EIAAMO C[NH+](C)CCN[C@@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000022593958 564149609 /nfs/dbraw/zinc/14/96/09/564149609.db2.gz DYRGNAWDGFZLMW-MRXNPFEDSA-N 1 1 332.900 4.240 50 0 EIAAMO CCc1ccc2c(C[N@H+]3CCC[C@H](C(F)(F)F)C3)cc(=O)oc2c1 ZINC000057331990 564153581 /nfs/dbraw/zinc/15/35/81/564153581.db2.gz RQLCJMXCMZBSRP-AWEZNQCLSA-N 1 1 339.357 4.130 50 0 EIAAMO CC[C@H](C)[N@@H+](C)C1CCN(C(=S)Nc2cccc(C)c2C)CC1 ZINC000003060184 564154848 /nfs/dbraw/zinc/15/48/48/564154848.db2.gz ZMLHZUATQHYUIZ-HNNXBMFYSA-N 1 1 333.545 4.195 50 0 EIAAMO C[C@@H](C(=O)Nc1ccccc1F)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000008226131 564163630 /nfs/dbraw/zinc/16/36/30/564163630.db2.gz HDJYGLSVYROHOK-HNNXBMFYSA-N 1 1 336.410 4.438 50 0 EIAAMO C[C@@H](C(=O)Nc1ccccc1F)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000008226131 564163631 /nfs/dbraw/zinc/16/36/31/564163631.db2.gz HDJYGLSVYROHOK-HNNXBMFYSA-N 1 1 336.410 4.438 50 0 EIAAMO COc1ccc(Cl)c2c(=O)c(C[N@H+]3CCCC[C@@H]3C)c(C)[nH]c12 ZINC000008717470 564166779 /nfs/dbraw/zinc/16/67/79/564166779.db2.gz GHIHOVVBHIOILI-NSHDSACASA-N 1 1 334.847 4.285 50 0 EIAAMO Fc1ccc([C@H]([NH2+]Cc2nnc(-c3ccco3)o2)C2CCC2)cc1 ZINC000069709893 564171749 /nfs/dbraw/zinc/17/17/49/564171749.db2.gz GNIMELCEHUTLKM-QGZVFWFLSA-N 1 1 327.359 4.100 50 0 EIAAMO CCOC1CC2(C1)CC[N@@H+](Cc1ccc(OC(F)F)c(Cl)c1)C2 ZINC000289177001 1021076160 /nfs/dbraw/zinc/07/61/60/1021076160.db2.gz ACLHKQHMIBHYRK-UHFFFAOYSA-N 1 1 345.817 4.332 50 0 EIAAMO CC(C)[N@H+](Cc1ncc(C2OCCO2)s1)[C@H](C)c1ccccc1 ZINC000292791627 1022194337 /nfs/dbraw/zinc/19/43/37/1022194337.db2.gz MMRXGPYSNTZZLG-CQSZACIVSA-N 1 1 332.469 4.160 50 0 EIAAMO CC(C)[N@@H+](Cc1ncc(C2OCCO2)s1)[C@H](C)c1ccccc1 ZINC000292791627 1022194344 /nfs/dbraw/zinc/19/43/44/1022194344.db2.gz MMRXGPYSNTZZLG-CQSZACIVSA-N 1 1 332.469 4.160 50 0 EIAAMO Fc1cccc(F)c1CN1CC[N@H+]2CCC[C@H]2[C@H]1C1CCCCC1 ZINC000247560348 1023072337 /nfs/dbraw/zinc/07/23/37/1023072337.db2.gz YQXOABLFXYUKNB-VQTJNVASSA-N 1 1 334.454 4.194 50 0 EIAAMO CC[C@H](c1ccc(OC)cc1)[N@@H+](C)Cc1cc(-c2cccnc2)no1 ZINC000252496809 1034267697 /nfs/dbraw/zinc/26/76/97/1034267697.db2.gz PSDDNZCWUIFYMY-HXUWFJFHSA-N 1 1 337.423 4.328 50 0 EIAAMO C[C@@H](c1ccc(Cl)c(Cl)c1)[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000056284249 1036626225 /nfs/dbraw/zinc/62/62/25/1036626225.db2.gz IQEDBPCVEVMWLF-NSHDSACASA-N 1 1 341.282 4.045 50 0 EIAAMO Cc1cc(-n2cccn2)ccc1C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000825145645 1044612137 /nfs/dbraw/zinc/61/21/37/1044612137.db2.gz KAYNNTYFPQYJMU-GOSISDBHSA-N 1 1 338.480 4.364 50 0 EIAAMO Cc1cc(-n2cccn2)ccc1C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000825145645 1044612156 /nfs/dbraw/zinc/61/21/56/1044612156.db2.gz KAYNNTYFPQYJMU-GOSISDBHSA-N 1 1 338.480 4.364 50 0 EIAAMO CC[N@@H+](Cc1ccccc1)[C@@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC000012327425 1044733211 /nfs/dbraw/zinc/73/32/11/1044733211.db2.gz JKTHXBOKGOUMQM-OAQYLSRUSA-N 1 1 336.479 4.090 50 0 EIAAMO Clc1ccccc1-c1ccc(C[NH2+]Cc2cnc3n2CCCC3)o1 ZINC000376726109 1045244500 /nfs/dbraw/zinc/24/45/00/1045244500.db2.gz OERHHJXEHMJKKG-UHFFFAOYSA-N 1 1 341.842 4.423 50 0 EIAAMO Cc1cnc(C2CC2)n1[C@@H]1CC[N@H+](Cc2cn(C)c3ccccc23)C1 ZINC000575548716 1045258165 /nfs/dbraw/zinc/25/81/65/1045258165.db2.gz JAURXPAPCACSER-GOSISDBHSA-N 1 1 334.467 4.008 50 0 EIAAMO Fc1cccc(-c2cnc(C[NH+]3CCC(OC4CCCC4)CC3)o2)c1 ZINC000175143938 1049129724 /nfs/dbraw/zinc/12/97/24/1049129724.db2.gz KJLSSEATOOSPAL-UHFFFAOYSA-N 1 1 344.430 4.404 50 0 EIAAMO Cc1cc2[nH]c(C[N@H+]3CCC[C@@](O)(C(F)(F)F)CC3)cc2c(C)c1 ZINC000952846312 1049676573 /nfs/dbraw/zinc/67/65/73/1049676573.db2.gz ZHCKNGFRRWSROM-KRWDZBQOSA-N 1 1 340.389 4.064 50 0 EIAAMO Cc1ccccc1N1CCC[N@@H+](Cc2cc(F)cc(Cl)c2)CC1 ZINC000952872849 1049678267 /nfs/dbraw/zinc/67/82/67/1049678267.db2.gz FEYQFWPMJQUECZ-UHFFFAOYSA-N 1 1 332.850 4.500 50 0 EIAAMO Cc1nn(C)c(C)c1C[N@@H+](Cc1ccc(-c2ccccn2)cc1)C1CC1 ZINC000952973922 1049686610 /nfs/dbraw/zinc/68/66/10/1049686610.db2.gz IKTOYGOPGMMEIS-UHFFFAOYSA-N 1 1 346.478 4.264 50 0 EIAAMO CSc1ccc2cc(C[N@@H+](C)CC[C@@H]3CCCCO3)c(=O)[nH]c2c1 ZINC000952981074 1049689075 /nfs/dbraw/zinc/68/90/75/1049689075.db2.gz KGMJEXNRMSPUSE-INIZCTEOSA-N 1 1 346.496 4.053 50 0 EIAAMO Cc1c[nH+]c(C[C@@H]2CCCN(C(=O)C3CCCCC3)C2)n1C(C)C ZINC000581817084 1060026509 /nfs/dbraw/zinc/02/65/09/1060026509.db2.gz ZHSQWXVCXGZNEA-KRWDZBQOSA-N 1 1 331.504 4.134 50 0 EIAAMO C[C@@H](c1ccccc1Cl)[N@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000054176043 214222120 /nfs/dbraw/zinc/22/21/20/214222120.db2.gz MHTSNRFJYLDTEK-ZDUSSCGKSA-N 1 1 328.843 4.165 50 0 EIAAMO C[C@@H](c1ccccc1Cl)[N@@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000054176043 214222124 /nfs/dbraw/zinc/22/21/24/214222124.db2.gz MHTSNRFJYLDTEK-ZDUSSCGKSA-N 1 1 328.843 4.165 50 0 EIAAMO CC(=O)c1c(F)cccc1N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000054369737 214233998 /nfs/dbraw/zinc/23/39/98/214233998.db2.gz NMADMPGETJREPC-UHFFFAOYSA-N 1 1 340.442 4.049 50 0 EIAAMO COCC[N@@H+](C/C=C/c1ccccc1)Cc1ccc(O)c(Cl)c1 ZINC000055090844 214272402 /nfs/dbraw/zinc/27/24/02/214272402.db2.gz ZSTPWSKQGHOAHE-VMPITWQZSA-N 1 1 331.843 4.207 50 0 EIAAMO c1cc2cccc(C[N@H+](Cc3ccsc3)C[C@@H]3CCCO3)c2[nH]1 ZINC000055153296 214280438 /nfs/dbraw/zinc/28/04/38/214280438.db2.gz NPTDEIAIILWLEJ-SFHVURJKSA-N 1 1 326.465 4.411 50 0 EIAAMO CCCCOc1c(C[N@H+](C)[C@@H](C)c2cccnc2)cccc1OC ZINC000055211617 214290295 /nfs/dbraw/zinc/29/02/95/214290295.db2.gz OLPFAPXUPDYJTQ-INIZCTEOSA-N 1 1 328.456 4.462 50 0 EIAAMO CCCCOc1c(C[N@@H+](C)[C@@H](C)c2cccnc2)cccc1OC ZINC000055211617 214290297 /nfs/dbraw/zinc/29/02/97/214290297.db2.gz OLPFAPXUPDYJTQ-INIZCTEOSA-N 1 1 328.456 4.462 50 0 EIAAMO Cn1c(C[NH2+]C(c2ccccc2)c2ccccc2)nc2ccccc21 ZINC000055439703 214323764 /nfs/dbraw/zinc/32/37/64/214323764.db2.gz HUKYEIDUCACTTD-UHFFFAOYSA-N 1 1 327.431 4.453 50 0 EIAAMO Cc1cccc2c(=O)[nH]c(C[NH2+][C@H](C)c3ccc4ccccc4c3)nc12 ZINC000049609460 214022611 /nfs/dbraw/zinc/02/26/11/214022611.db2.gz MDPQYJCHDUETOF-OAHLLOKOSA-N 1 1 343.430 4.236 50 0 EIAAMO CC[C@H](O)C[N@@H+](CCC(C)C)Cc1cccn1Cc1ccccc1F ZINC000004355697 210178393 /nfs/dbraw/zinc/17/83/93/210178393.db2.gz IUJBQIVGLOYVAR-FQEVSTJZSA-N 1 1 346.490 4.295 50 0 EIAAMO CC[C@@H]1CCCC[N@H+]1C[C@H](O)COCCC12CC3CC(CC(C3)C1)C2 ZINC000004159473 210135343 /nfs/dbraw/zinc/13/53/43/210135343.db2.gz BKXIJSTVKQIFLU-VEQMMRKXSA-N 1 1 349.559 4.235 50 0 EIAAMO CC(C)Oc1ccc(C(=O)OCC[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000004026620 210103324 /nfs/dbraw/zinc/10/33/24/210103324.db2.gz FMEJIPSHYUISGF-XLIONFOSSA-N 1 1 345.483 4.285 50 0 biogenic EIAAMO Cc1ccc2c(c1)c1c(n2C[C@H](O)C[N@@H+]2CCCC[C@@H]2C)CCCC1 ZINC000003648938 210070327 /nfs/dbraw/zinc/07/03/27/210070327.db2.gz NMVJJEDURJILIY-ZWKOTPCHSA-N 1 1 340.511 4.064 50 0 EIAAMO C[NH+](C)Cc1cccc(CNCc2cnc(-c3ccccc3)s2)c1 ZINC000066971219 215100143 /nfs/dbraw/zinc/10/01/43/215100143.db2.gz ROPGKRYPFKXFGQ-UHFFFAOYSA-N 1 1 337.492 4.162 50 0 EIAAMO CCCC[C@H]1C=CC[N@H+]1Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067491000 215154669 /nfs/dbraw/zinc/15/46/69/215154669.db2.gz UFOVFKKRDFFBML-IBGZPJMESA-N 1 1 332.451 4.327 50 0 EIAAMO CC(C)n1ccnc1C[NH+]1CCC(c2n[nH]cc2-c2ccccc2)CC1 ZINC000067755641 215202805 /nfs/dbraw/zinc/20/28/05/215202805.db2.gz VWYYQIPCKJWKGT-UHFFFAOYSA-N 1 1 349.482 4.234 50 0 EIAAMO Cc1ccsc1C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC(C)(C)C)C2 ZINC000067788669 215214286 /nfs/dbraw/zinc/21/42/86/215214286.db2.gz OCXMFVKRFUDQDQ-FQEVSTJZSA-N 1 1 348.556 4.307 50 0 EIAAMO COc1ccc(C[N@@H+](C)[C@H](C)c2ccc(F)cc2)c(OC)c1OC ZINC000040007499 213249836 /nfs/dbraw/zinc/24/98/36/213249836.db2.gz DMJJXCZPWRZWFS-CYBMUJFWSA-N 1 1 333.403 4.045 50 0 EIAAMO Cc1ccc(NC(=S)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)cc1Cl ZINC000036847520 213122826 /nfs/dbraw/zinc/12/28/26/213122826.db2.gz VQVMLUZYXASLIP-KBPBESRZSA-N 1 1 339.936 4.198 50 0 EIAAMO COc1ccccc1C[N@H+]1CCCn2cccc2[C@@H]1c1ccccc1 ZINC000036347913 213087091 /nfs/dbraw/zinc/08/70/91/213087091.db2.gz IFPRFLOGGSHHMZ-QFIPXVFZSA-N 1 1 332.447 4.492 50 0 EIAAMO Cc1ccccc1C[N@@H+](CC(C)C)C[C@H](O)COCc1ccccc1 ZINC000036099813 213065359 /nfs/dbraw/zinc/06/53/59/213065359.db2.gz HYIVYQXFQBKIDU-QFIPXVFZSA-N 1 1 341.495 4.031 50 0 EIAAMO CC(C)CC[N@H+](Cc1cccs1)C[C@H](O)COCc1ccccc1 ZINC000036096653 213063792 /nfs/dbraw/zinc/06/37/92/213063792.db2.gz GSPFMXJCOJLLJQ-IBGZPJMESA-N 1 1 347.524 4.174 50 0 EIAAMO CC[C@H](C)[N@H+](Cc1ccsc1)C[C@H](O)COc1ccccc1C ZINC000036031855 213056751 /nfs/dbraw/zinc/05/67/51/213056751.db2.gz VZFACIPARFSTJV-WMZOPIPTSA-N 1 1 333.497 4.097 50 0 EIAAMO Cc1ccccc1OC[C@@H](O)C[N@H+](CCC(C)C)Cc1ccsc1 ZINC000036031182 213056054 /nfs/dbraw/zinc/05/60/54/213056054.db2.gz WTBGGGUVQXUJQP-IBGZPJMESA-N 1 1 347.524 4.345 50 0 EIAAMO c1coc([C@@H]2CCCCC[N@@H+]2Cc2cnc(N3CCCC3)s2)c1 ZINC000072120671 216013927 /nfs/dbraw/zinc/01/39/27/216013927.db2.gz GPJWWCORUOUNIA-INIZCTEOSA-N 1 1 331.485 4.454 50 0 EIAAMO OCCCC[N@H+]1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000072144077 216030335 /nfs/dbraw/zinc/03/03/35/216030335.db2.gz HCEQBEBRLLOVDD-MRXNPFEDSA-N 1 1 329.406 4.123 50 0 EIAAMO CCn1ccc2cc(C[N@@H+](C)Cc3cc(-c4ccncc4)no3)ccc21 ZINC000072151761 216039240 /nfs/dbraw/zinc/03/92/40/216039240.db2.gz 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/nfs/dbraw/zinc/18/13/56/241181356.db2.gz FKPTYKWYLAZMCY-IBGZPJMESA-N 1 1 327.424 4.088 50 0 EIAAMO COc1ccc2c(c1)CC[N@H+](Cc1ccc([C@@H]3CCCCO3)o1)C2 ZINC000216295241 241181359 /nfs/dbraw/zinc/18/13/59/241181359.db2.gz FKPTYKWYLAZMCY-IBGZPJMESA-N 1 1 327.424 4.088 50 0 EIAAMO Cc1nc2ccccn2c1C[N@H+](C)Cc1ccc([C@H]2CCCO2)s1 ZINC000216438829 241190401 /nfs/dbraw/zinc/19/04/01/241190401.db2.gz RYAJCHRXTKIVCV-QGZVFWFLSA-N 1 1 341.480 4.188 50 0 EIAAMO Cc1nc2ccccn2c1C[N@@H+](C)Cc1ccc([C@H]2CCCO2)s1 ZINC000216438829 241190407 /nfs/dbraw/zinc/19/04/07/241190407.db2.gz RYAJCHRXTKIVCV-QGZVFWFLSA-N 1 1 341.480 4.188 50 0 EIAAMO c1cnn(Cc2ccccc2C[N@@H+]2CCCC[C@H]2c2nccs2)c1 ZINC000216519683 241197889 /nfs/dbraw/zinc/19/78/89/241197889.db2.gz LOVBQYNSRHQRTN-SFHVURJKSA-N 1 1 338.480 4.115 50 0 EIAAMO c1cnn(Cc2ccccc2C[N@H+]2CCCC[C@H]2c2nccs2)c1 ZINC000216519683 241197895 /nfs/dbraw/zinc/19/78/95/241197895.db2.gz LOVBQYNSRHQRTN-SFHVURJKSA-N 1 1 338.480 4.115 50 0 EIAAMO 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CCC[N@H+](Cc1cccc(C)c1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036100605 564096131 /nfs/dbraw/zinc/09/61/31/564096131.db2.gz WMPXQGYFLUJXCG-IBGZPJMESA-N 1 1 347.886 4.300 50 0 EIAAMO Cc1ccc(C[N@@H+](CC(C)C)C[C@@H](O)COc2ccccc2C)s1 ZINC000036100958 564096148 /nfs/dbraw/zinc/09/61/48/564096148.db2.gz RKDBLTLAUUYWFF-GOSISDBHSA-N 1 1 347.524 4.263 50 0 EIAAMO CC(C)c1ccc(CNC(=O)C2=CC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000064817969 564096450 /nfs/dbraw/zinc/09/64/50/564096450.db2.gz MWVUDOFLPSEJFN-UHFFFAOYSA-N 1 1 348.490 4.259 50 0 EIAAMO CC[C@@H](C)[N@H+](Cc1ccc(C)cc1C)C[C@@H](O)COCc1ccco1 ZINC000169677155 564098054 /nfs/dbraw/zinc/09/80/54/564098054.db2.gz JGZFLIXJRLJRJI-UYAOXDASSA-N 1 1 345.483 4.075 50 0 EIAAMO CC[C@H](C)[N@H+](Cc1cc(C)ccc1C)C[C@@H](O)COc1ccccc1 ZINC000169681585 564098214 /nfs/dbraw/zinc/09/82/14/564098214.db2.gz BGPYBWMZDQKAEE-PZJWPPBQSA-N 1 1 341.495 4.344 50 0 EIAAMO CCCc1noc([C@H](C)[NH+]2CCC(c3nc4ccccc4o3)CC2)n1 ZINC000065477522 564106287 /nfs/dbraw/zinc/10/62/87/564106287.db2.gz 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COc1ccc2cc(C[N@@H+](C)[C@H](C)C(=O)Nc3ccccc3)ccc2c1 ZINC000007926778 564125570 /nfs/dbraw/zinc/12/55/70/564125570.db2.gz JWNWPMXPZGLRKK-MRXNPFEDSA-N 1 1 348.446 4.307 50 0 EIAAMO C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC[C@@]2(O)C[NH+]1CC1 ZINC000004026844 564128944 /nfs/dbraw/zinc/12/89/44/564128944.db2.gz YAZNTOPQJPATQT-YSNDBMGOSA-N 1 1 331.544 4.466 50 0 biogenic EIAAMO Clc1cccc([C@@H]([NH2+]Cc2nnc3n2CCCC3)C2CCCC2)c1 ZINC000253418052 564130852 /nfs/dbraw/zinc/13/08/52/564130852.db2.gz HYTJCHNDOCSCBL-IBGZPJMESA-N 1 1 344.890 4.289 50 0 EIAAMO Cc1nnc(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CCCC2)s1 ZINC000390834187 564138895 /nfs/dbraw/zinc/13/88/95/564138895.db2.gz UGTPJZJPJJPWCM-UHFFFAOYSA-N 1 1 341.402 4.424 50 0 EIAAMO COC(=O)c1ccc(C[N@H+]2CCCCC[C@H]2c2ccc(OC)cc2)o1 ZINC000029155795 564153161 /nfs/dbraw/zinc/15/31/61/564153161.db2.gz FRAOSMWBOUFOJT-SFHVURJKSA-N 1 1 343.423 4.192 50 0 EIAAMO CCc1ccccc1NC(=S)N1CCC([N@@H+](C)C2CCCC2)CC1 ZINC000003058329 564154783 /nfs/dbraw/zinc/15/47/83/564154783.db2.gz PILKLDPCULABTO-UHFFFAOYSA-N 1 1 345.556 4.285 50 0 EIAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1)N1CCc2ccccc21 ZINC000058377880 564158913 /nfs/dbraw/zinc/15/89/13/564158913.db2.gz HAPPCLBVNWAWQH-SFHVURJKSA-N 1 1 340.854 4.066 50 0 EIAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1)N1CCc2ccccc21 ZINC000058377880 564158914 /nfs/dbraw/zinc/15/89/14/564158914.db2.gz HAPPCLBVNWAWQH-SFHVURJKSA-N 1 1 340.854 4.066 50 0 EIAAMO CCCOc1ccc2[nH]c(C)c(C[N@H+]3CCC[C@@H](C)C3)c(=O)c2c1 ZINC000008717136 564166739 /nfs/dbraw/zinc/16/67/39/564166739.db2.gz AKWZBVNLBKOERT-CQSZACIVSA-N 1 1 328.456 4.270 50 0 EIAAMO CC(C)[N@H+]1CC[C@H](Nc2nc(-c3ccsc3)nc3ccccc32)C1 ZINC000071832805 564175778 /nfs/dbraw/zinc/17/57/78/564175778.db2.gz ZQZNLSYYJHAHRU-HNNXBMFYSA-N 1 1 338.480 4.253 50 0 EIAAMO C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000071841197 564175847 /nfs/dbraw/zinc/17/58/47/564175847.db2.gz APCTXLSRBMIFMU-ZDUSSCGKSA-N 1 1 336.439 4.369 50 0 EIAAMO Cc1cc([C@@H](C)[NH2+]Cc2ccc(CN3CCc4ccccc43)cc2)no1 ZINC000289552016 1021824706 /nfs/dbraw/zinc/82/47/06/1021824706.db2.gz CFHTVYCONQFPBM-QGZVFWFLSA-N 1 1 347.462 4.397 50 0 EIAAMO CC(C)c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000107451141 1024178335 /nfs/dbraw/zinc/17/83/35/1024178335.db2.gz YHPJZFFADHNXOR-GUDVDZBRSA-N 1 1 331.500 4.062 50 0 EIAAMO COc1ccc(CN2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)c(C)c1C ZINC000011946388 1043743016 /nfs/dbraw/zinc/74/30/16/1043743016.db2.gz BWVVGCBBIBNRCN-JOCHJYFZSA-N 1 1 342.527 4.010 50 0 EIAAMO COc1ccc(CN2CC[C@]3(C2)CCC[N@@H+](CC2CC2)C3)c(C)c1C ZINC000011946388 1043743021 /nfs/dbraw/zinc/74/30/21/1043743021.db2.gz BWVVGCBBIBNRCN-JOCHJYFZSA-N 1 1 342.527 4.010 50 0 EIAAMO c1coc(CN2CC[C@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)c1 ZINC000014957508 1044787945 /nfs/dbraw/zinc/78/79/45/1044787945.db2.gz LCFVBXMLMVRVID-JOCHJYFZSA-N 1 1 338.495 4.200 50 0 EIAAMO c1ccc([C@H]2C[N@@H+](Cc3ccc(-c4ccccn4)cc3)CCO2)cc1 ZINC000141832358 1044849790 /nfs/dbraw/zinc/84/97/90/1044849790.db2.gz AFRZZFTXBCQSHJ-JOCHJYFZSA-N 1 1 330.431 4.322 50 0 EIAAMO Cc1nc(C[N@@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)nc2ccccc12 ZINC000190161301 1046742531 /nfs/dbraw/zinc/74/25/31/1046742531.db2.gz BRVSYUPFDVJHLT-OAHLLOKOSA-N 1 1 337.389 4.349 50 0 EIAAMO Cc1nc(C[N@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)nc2ccccc12 ZINC000190161301 1046742547 /nfs/dbraw/zinc/74/25/47/1046742547.db2.gz BRVSYUPFDVJHLT-OAHLLOKOSA-N 1 1 337.389 4.349 50 0 EIAAMO CCOC1CC2(C1)CC[N@@H+](Cc1cccc(OC3CCCC3)c1)C2 ZINC000585084559 1049429128 /nfs/dbraw/zinc/42/91/28/1049429128.db2.gz WNLBIVQRGMCUQO-UHFFFAOYSA-N 1 1 329.484 4.399 50 0 EIAAMO Cc1c[nH+]c(C[C@H]2CCCN(C(=O)C3CCCCC3)C2)n1C(C)C ZINC000581817085 1060025216 /nfs/dbraw/zinc/02/52/16/1060025216.db2.gz ZHSQWXVCXGZNEA-QGZVFWFLSA-N 1 1 331.504 4.134 50 0 EIAAMO CC[C@H](C)[N@@H+](Cc1cccnc1)Cc1ccc2c(C)cc(=O)oc2c1 ZINC000055074665 214269197 /nfs/dbraw/zinc/26/91/97/214269197.db2.gz OPLJGJXGJSOONA-INIZCTEOSA-N 1 1 336.435 4.297 50 0 EIAAMO CC(C)c1csc(C[N@@H+]2CCC[C@@H](Nc3ccc(F)cc3)C2)n1 ZINC000055182503 214284136 /nfs/dbraw/zinc/28/41/36/214284136.db2.gz ZRZOPZUKDHLDBJ-MRXNPFEDSA-N 1 1 333.476 4.482 50 0 EIAAMO CC(C)c1csc(C[N@H+]2CCC[C@@H](Nc3ccc(F)cc3)C2)n1 ZINC000055182503 214284139 /nfs/dbraw/zinc/28/41/39/214284139.db2.gz ZRZOPZUKDHLDBJ-MRXNPFEDSA-N 1 1 333.476 4.482 50 0 EIAAMO Fc1ccc(-c2n[nH]cc2C[N@@H+](Cc2ccsc2)C2CC2)cc1 ZINC000055211482 214289855 /nfs/dbraw/zinc/28/98/55/214289855.db2.gz UZJAUEYABABZIA-UHFFFAOYSA-N 1 1 327.428 4.442 50 0 EIAAMO Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)[C@H](C)Cc1cc(C)ccn1 ZINC000055385172 214315989 /nfs/dbraw/zinc/31/59/89/214315989.db2.gz IGFAFWUVQSDLJG-OAHLLOKOSA-N 1 1 328.504 4.021 50 0 EIAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccs2)N3)C1 ZINC000004554035 210220881 /nfs/dbraw/zinc/22/08/81/210220881.db2.gz XSULAHMHIMBIKB-AWEZNQCLSA-N 1 1 333.482 4.005 50 0 EIAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(F)cc2)N3)C1 ZINC000004554042 210220415 /nfs/dbraw/zinc/22/04/15/210220415.db2.gz ZDDJCQPFKWLWQJ-MRXNPFEDSA-N 1 1 345.443 4.083 50 0 EIAAMO Cc1ccccc1C[N@H+](C)[C@@H](C)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000003355117 210016210 /nfs/dbraw/zinc/01/62/10/210016210.db2.gz ISVHPCPXQSCKQP-LAUBAEHRSA-N 1 1 336.479 4.009 50 0 EIAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc2ccccc2c1 ZINC000003330250 210009329 /nfs/dbraw/zinc/00/93/29/210009329.db2.gz NGZFHRAZFLSEQS-FQEVSTJZSA-N 1 1 348.446 4.390 50 0 EIAAMO Cc1csc2c1ncnc2-c1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000067690930 215186199 /nfs/dbraw/zinc/18/61/99/215186199.db2.gz HWSUPOUHHGJBGD-AWEZNQCLSA-N 1 1 339.464 4.060 50 0 EIAAMO c1ccc2c(c1)cccc2-c1noc2c1C[N@@H+](C[C@@H]1CCCO1)CC2 ZINC000067725182 215196303 /nfs/dbraw/zinc/19/63/03/215196303.db2.gz XFJYUFQWZOMSBV-INIZCTEOSA-N 1 1 334.419 4.032 50 0 EIAAMO CCCc1[nH+]ccn1Cc1nc(-c2ccccc2OCC)oc1C ZINC000067759025 215206090 /nfs/dbraw/zinc/20/60/90/215206090.db2.gz ZWGGHHGJNHFGPF-UHFFFAOYSA-N 1 1 325.412 4.246 50 0 EIAAMO Cc1cccc2c(C[N@@H+]3CCc4nc[nH]c4[C@@H]3c3ccsc3)c[nH]c21 ZINC000067974456 215263570 /nfs/dbraw/zinc/26/35/70/215263570.db2.gz GXQCLHBPYOCLBG-FQEVSTJZSA-N 1 1 348.475 4.409 50 0 EIAAMO Cc1cccc2c(C[N@H+]3CCc4nc[nH]c4[C@@H]3c3ccsc3)c[nH]c21 ZINC000067974456 215263573 /nfs/dbraw/zinc/26/35/73/215263573.db2.gz GXQCLHBPYOCLBG-FQEVSTJZSA-N 1 1 348.475 4.409 50 0 EIAAMO COc1cccc(-c2nc(C[N@@H+](C)[C@H](C)C3CC3)cs2)c1OC ZINC000069371670 215391748 /nfs/dbraw/zinc/39/17/48/215391748.db2.gz JYHPIAMLZMSFFT-GFCCVEGCSA-N 1 1 332.469 4.058 50 0 EIAAMO [NH3+][C@@H](Cc1ccccc1)c1nnc(SC/C=C/c2ccccc2)o1 ZINC000001808919 209797700 /nfs/dbraw/zinc/79/77/00/209797700.db2.gz UNWOOXJLYCGANT-CRVDFBCUSA-N 1 1 337.448 4.118 50 0 EIAAMO Cc1ccccc1C[N@@H+](CCC(C)C)C[C@@H](O)COc1ccccc1 ZINC000036100036 213067473 /nfs/dbraw/zinc/06/74/73/213067473.db2.gz GJQOLWNLMJUOKJ-OAQYLSRUSA-N 1 1 341.495 4.283 50 0 EIAAMO O[C@@H](Cc1ccccc1)C[N@H+](Cc1ccco1)Cc1ccccc1F ZINC000036102970 213066673 /nfs/dbraw/zinc/06/66/73/213066673.db2.gz PYJNKBVOAHIUGV-IBGZPJMESA-N 1 1 339.410 4.025 50 0 EIAAMO O[C@@H](Cc1ccccc1)C[N@@H+](Cc1ccco1)Cc1ccccc1F ZINC000036102970 213066676 /nfs/dbraw/zinc/06/66/76/213066676.db2.gz PYJNKBVOAHIUGV-IBGZPJMESA-N 1 1 339.410 4.025 50 0 EIAAMO Cc1ccccc1C[N@@H+](CCC(C)C)C[C@H](O)COc1ccccc1 ZINC000036100035 213066496 /nfs/dbraw/zinc/06/64/96/213066496.db2.gz GJQOLWNLMJUOKJ-NRFANRHFSA-N 1 1 341.495 4.283 50 0 EIAAMO CCC[N@H+](Cc1cc(C)ccc1C)C[C@H](O)COCc1ccccc1 ZINC000036097420 213064947 /nfs/dbraw/zinc/06/49/47/213064947.db2.gz VKQUCADQXODOII-QFIPXVFZSA-N 1 1 341.495 4.093 50 0 EIAAMO CC(C)CC[N@H+](Cc1cccs1)C[C@@H](O)COCc1ccccc1 ZINC000036096655 213062746 /nfs/dbraw/zinc/06/27/46/213062746.db2.gz GSPFMXJCOJLLJQ-LJQANCHMSA-N 1 1 347.524 4.174 50 0 EIAAMO CC(C)c1nccc(C[N@H+]2CCCC[C@@H]2CCc2ccc(O)cc2)n1 ZINC000072137008 216024974 /nfs/dbraw/zinc/02/49/74/216024974.db2.gz PCTPXAJQJWXGPV-LJQANCHMSA-N 1 1 339.483 4.293 50 0 EIAAMO Cc1cc([C@H]2CCCC[N@@H+]2Cc2ccc(CCC(C)(C)O)cc2)no1 ZINC000072407269 216198238 /nfs/dbraw/zinc/19/82/38/216198238.db2.gz KISMLFZUSWHZRG-HXUWFJFHSA-N 1 1 342.483 4.414 50 0 EIAAMO Cc1cc([C@H]2CCCC[N@H+]2Cc2ccc(CCC(C)(C)O)cc2)no1 ZINC000072407269 216198241 /nfs/dbraw/zinc/19/82/41/216198241.db2.gz KISMLFZUSWHZRG-HXUWFJFHSA-N 1 1 342.483 4.414 50 0 EIAAMO c1ccc(CCC[N@H+]2CCC[C@H](Nc3cnc4ccccc4n3)C2)cc1 ZINC000072478646 216256327 /nfs/dbraw/zinc/25/63/27/216256327.db2.gz CSVMCQHIVHGCDN-IBGZPJMESA-N 1 1 346.478 4.139 50 0 EIAAMO C[N@@H+](CC[C@H]1CCCCO1)Cc1c[nH]nc1-c1cc2ccccc2o1 ZINC000023368404 212370367 /nfs/dbraw/zinc/37/03/67/212370367.db2.gz LGPATBOCBZMPAJ-QGZVFWFLSA-N 1 1 339.439 4.214 50 0 EIAAMO CSc1ccccc1C(=O)[C@H]1CCC[N@H+](Cc2cnc(C)s2)C1 ZINC000023339207 212369447 /nfs/dbraw/zinc/36/94/47/212369447.db2.gz GJRGTVAXZKBTCD-AWEZNQCLSA-N 1 1 346.521 4.268 50 0 EIAAMO CSc1ccccc1C(=O)[C@H]1CCC[N@@H+](Cc2cnc(C)s2)C1 ZINC000023339207 212369450 /nfs/dbraw/zinc/36/94/50/212369450.db2.gz GJRGTVAXZKBTCD-AWEZNQCLSA-N 1 1 346.521 4.268 50 0 EIAAMO CC[N@@H+](Cc1ccncc1)[C@H]1CCCN(Cc2cc3ccccc3[nH]2)C1 ZINC000022926600 212335575 /nfs/dbraw/zinc/33/55/75/212335575.db2.gz MQMJHJBSJFAGNI-NRFANRHFSA-N 1 1 348.494 4.049 50 0 EIAAMO CCN(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000022926600 212335577 /nfs/dbraw/zinc/33/55/77/212335577.db2.gz MQMJHJBSJFAGNI-NRFANRHFSA-N 1 1 348.494 4.049 50 0 EIAAMO CCN(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000022926600 212335581 /nfs/dbraw/zinc/33/55/81/212335581.db2.gz MQMJHJBSJFAGNI-NRFANRHFSA-N 1 1 348.494 4.049 50 0 EIAAMO Cc1ccc(NC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1F ZINC000022332015 212291334 /nfs/dbraw/zinc/29/13/34/212291334.db2.gz UXHZWJKPHXBORA-MRXNPFEDSA-N 1 1 341.430 4.045 50 0 EIAAMO COc1cc(F)c(C[N@@H+](C)Cc2cccc3cnccc32)cc1OC ZINC000216086480 241164588 /nfs/dbraw/zinc/16/45/88/241164588.db2.gz DTNOMXLQZDTAGB-UHFFFAOYSA-N 1 1 340.398 4.023 50 0 EIAAMO Fc1cccc(-n2cc(C[N@@H+]3CCCC[C@H]3c3ccccn3)cn2)c1 ZINC000216214014 241175642 /nfs/dbraw/zinc/17/56/42/241175642.db2.gz DXVCBDPUEOZWRP-FQEVSTJZSA-N 1 1 336.414 4.134 50 0 EIAAMO Fc1cccc(-n2cc(C[N@H+]3CCCC[C@H]3c3ccccn3)cn2)c1 ZINC000216214014 241175647 /nfs/dbraw/zinc/17/56/47/241175647.db2.gz DXVCBDPUEOZWRP-FQEVSTJZSA-N 1 1 336.414 4.134 50 0 EIAAMO COc1ccc(C[N@H+](C)Cc2csc(C(C)=O)c2)c2cccnc12 ZINC000216400369 241188289 /nfs/dbraw/zinc/18/82/89/241188289.db2.gz VKGSIIVLSMGGDK-UHFFFAOYSA-N 1 1 340.448 4.140 50 0 EIAAMO COc1ccc(C[N@@H+](C)Cc2csc(C(C)=O)c2)c2cccnc12 ZINC000216400369 241188296 /nfs/dbraw/zinc/18/82/96/241188296.db2.gz VKGSIIVLSMGGDK-UHFFFAOYSA-N 1 1 340.448 4.140 50 0 EIAAMO COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)cc1Cl)[NH2+]CC2 ZINC000022018364 212271730 /nfs/dbraw/zinc/27/17/30/212271730.db2.gz IICMWMFSPXWSSV-QGZVFWFLSA-N 1 1 338.234 4.246 50 0 EIAAMO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000229571350 242180154 /nfs/dbraw/zinc/18/01/54/242180154.db2.gz GVLDSEQXKJISGZ-IJLUTSLNSA-N 1 1 329.271 4.298 50 0 EIAAMO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+]2CCC[C@]3(CC=CCC3)C2)c1C ZINC000230212449 242249646 /nfs/dbraw/zinc/24/96/46/242249646.db2.gz UZAXXIHCJCNMLS-IIBYNOLFSA-N 1 1 342.483 4.228 50 0 EIAAMO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+]2CCC[C@]3(CC=CCC3)C2)c1C ZINC000230212449 242249654 /nfs/dbraw/zinc/24/96/54/242249654.db2.gz UZAXXIHCJCNMLS-IIBYNOLFSA-N 1 1 342.483 4.228 50 0 EIAAMO Cc1oc(-c2ccsc2)nc1C[N@@H+](CC1CCC1)C[C@@H]1CCCO1 ZINC000020821404 212173500 /nfs/dbraw/zinc/17/35/00/212173500.db2.gz SXVKJCAAIVUXHO-KRWDZBQOSA-N 1 1 346.496 4.493 50 0 EIAAMO CCc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000020598331 212150257 /nfs/dbraw/zinc/15/02/57/212150257.db2.gz LCBKOXJOBJWZMT-HNNXBMFYSA-N 1 1 337.389 4.371 50 0 EIAAMO Cc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](Cc3ccc(O)cc3)C2)c1 ZINC000020109829 212102285 /nfs/dbraw/zinc/10/22/85/212102285.db2.gz JVJUNFRWEFTDFH-LJQANCHMSA-N 1 1 347.462 4.470 50 0 EIAAMO C[N@H+]1CCc2c(sc3nc(=S)[nH]c(Nc4ccccc4)c23)C1 ZINC000019897359 212080578 /nfs/dbraw/zinc/08/05/78/212080578.db2.gz YRDSOMBZPCHVQZ-UHFFFAOYSA-N 1 1 328.466 4.085 50 0 EIAAMO C[N@H+]1CCCN(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC000019537100 212040630 /nfs/dbraw/zinc/04/06/30/212040630.db2.gz WAQSRGPKTFZYCC-UHFFFAOYSA-N 1 1 332.532 4.125 50 0 EIAAMO O=C(c1cccc(Cl)c1)[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000019144198 212001464 /nfs/dbraw/zinc/00/14/64/212001464.db2.gz DTWVFQMWENAJRN-GOSISDBHSA-N 1 1 339.866 4.402 50 0 EIAAMO COCC[C@H]1CCCC[N@H+]1Cc1nc(-c2ccccc2C)oc1C ZINC000012315296 211343367 /nfs/dbraw/zinc/34/33/67/211343367.db2.gz QZKLBYVMKOOGPT-QGZVFWFLSA-N 1 1 328.456 4.349 50 0 EIAAMO CC(C)(C)c1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccn3)C2)cc1 ZINC000012306438 211342828 /nfs/dbraw/zinc/34/28/28/211342828.db2.gz IMAMXMWDWGJOIV-GOSISDBHSA-N 1 1 336.479 4.474 50 0 EIAAMO Cc1cc(Cl)ccc1C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000012308747 211342055 /nfs/dbraw/zinc/34/20/55/211342055.db2.gz ZZMALWGNQHXQDP-INIZCTEOSA-N 1 1 328.843 4.138 50 0 EIAAMO CC[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1F ZINC000012192925 211315537 /nfs/dbraw/zinc/31/55/37/211315537.db2.gz IGNYMMFIMJRHLT-UHFFFAOYSA-N 1 1 339.414 4.139 50 0 EIAAMO COc1ccccc1C[N@H+]1CCC[C@@H](C(=O)c2ccc(Cl)cc2)C1 ZINC000012027842 211281580 /nfs/dbraw/zinc/28/15/80/211281580.db2.gz XXSAZYMLNJODET-QGZVFWFLSA-N 1 1 343.854 4.444 50 0 EIAAMO CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000011817411 211250966 /nfs/dbraw/zinc/25/09/66/211250966.db2.gz PREMIGFXQTXXKZ-GOSISDBHSA-N 1 1 339.439 4.077 50 0 EIAAMO CCCCn1cc[nH+]c1C1CCN(c2cnc3ccccc3n2)CC1 ZINC000091526535 218017966 /nfs/dbraw/zinc/01/79/66/218017966.db2.gz LWPMYCDBLKCZIH-UHFFFAOYSA-N 1 1 335.455 4.010 50 0 EIAAMO CC[C@H](c1cccnc1)[N@@H+](C)Cc1cc(=O)c2cccc(Cl)c2[nH]1 ZINC000091706638 218050906 /nfs/dbraw/zinc/05/09/06/218050906.db2.gz BRZXVUCDZWCHHC-QGZVFWFLSA-N 1 1 341.842 4.160 50 0 EIAAMO CC(C)Cc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000011789667 211248770 /nfs/dbraw/zinc/24/87/70/211248770.db2.gz 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C[C@H]1CCC[N@H+]1Cc1cccc(C(=O)Nc2ccc3ncccc3c2)c1 ZINC000065385699 563959260 /nfs/dbraw/zinc/95/92/60/563959260.db2.gz GBFBXUZIJASNEH-INIZCTEOSA-N 1 1 345.446 4.471 50 0 EIAAMO CCc1ccc(C[N@H+]2CC[C@H](c3ccnc(-c4ccncc4)c3)C2)nc1 ZINC000065387359 563959385 /nfs/dbraw/zinc/95/93/85/563959385.db2.gz KVBLYPBQAPGCSX-FQEVSTJZSA-N 1 1 344.462 4.091 50 0 EIAAMO FC(F)(F)c1ccccc1CC[C@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000071639358 563964636 /nfs/dbraw/zinc/96/46/36/563964636.db2.gz RFOFOUQVOFJCTC-CQSZACIVSA-N 1 1 337.389 4.273 50 0 EIAAMO FC(F)(F)c1ccccc1CC[C@H]1CCC[N@H+](Cc2c[nH]cn2)C1 ZINC000071639358 563964637 /nfs/dbraw/zinc/96/46/37/563964637.db2.gz RFOFOUQVOFJCTC-CQSZACIVSA-N 1 1 337.389 4.273 50 0 EIAAMO FC(F)(F)c1ccccc1CC[C@H]1CCC[N@@H+](Cc2c[nH]cn2)C1 ZINC000071639358 563964638 /nfs/dbraw/zinc/96/46/38/563964638.db2.gz RFOFOUQVOFJCTC-CQSZACIVSA-N 1 1 337.389 4.273 50 0 EIAAMO CCc1cc([C@H]2CCC[N@H+]2Cc2c[nH]nc2-c2ccc(C)cc2)on1 ZINC000075448557 563967314 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CC(C)[N@@H+](C)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000000260958 563989918 /nfs/dbraw/zinc/98/99/18/563989918.db2.gz KXGAEFODVOZHIL-UHFFFAOYSA-N 1 1 344.286 4.330 50 0 EIAAMO CC(C)(C)C1CCC(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000000351993 563991563 /nfs/dbraw/zinc/99/15/63/563991563.db2.gz BTENAPPNXJUXRF-NYLDSWQDSA-N 1 1 345.527 4.027 50 0 EIAAMO c1cc2c(s1)CCN(c1ccc([NH2+]CC3CCOCC3)cc1)C2 ZINC000127579629 563996014 /nfs/dbraw/zinc/99/60/14/563996014.db2.gz OKKXTDHSILYLED-UHFFFAOYSA-N 1 1 328.481 4.149 50 0 EIAAMO CC(C)Oc1ccc(C(=O)OCC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000000519074 564020504 /nfs/dbraw/zinc/02/05/04/564020504.db2.gz FMEJIPSHYUISGF-FXAWDEMLSA-N 1 1 345.483 4.285 50 0 EIAAMO COc1ccc(CN2CC[N@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)cc1C ZINC000022876348 564030851 /nfs/dbraw/zinc/03/08/51/564030851.db2.gz JBVBLQNLYNAOND-IFMALSPDSA-N 1 1 342.527 4.233 50 0 EIAAMO CCOc1ccc([C@H]2CCC[N@H+]2CC(=O)N2CCCC[C@H]2CC)cc1 ZINC000048332873 564031074 /nfs/dbraw/zinc/03/10/74/564031074.db2.gz OUMBSRGZPCIPGD-UYAOXDASSA-N 1 1 344.499 4.013 50 0 EIAAMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000048367631 564031543 /nfs/dbraw/zinc/03/15/43/564031543.db2.gz ZIJAJDFXNZEKLF-UHFFFAOYSA-N 1 1 337.398 4.446 50 0 EIAAMO C[N@@H+](CCCc1nc(-c2cccs2)no1)Cc1ccc(F)c(F)c1 ZINC000032760739 564036201 /nfs/dbraw/zinc/03/62/01/564036201.db2.gz AVTASEVBKHGQAD-UHFFFAOYSA-N 1 1 349.406 4.141 50 0 EIAAMO C[C@@H](c1ccccn1)[N@@H+](C)CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000225514902 564047461 /nfs/dbraw/zinc/04/74/61/564047461.db2.gz HXMFEOSWDLRNJD-HNNXBMFYSA-N 1 1 335.492 4.110 50 0 EIAAMO CC(C)n1ccnc1C[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000241121755 564051859 /nfs/dbraw/zinc/05/18/59/564051859.db2.gz JDRRVYOKNHZBBR-LBPRGKRZSA-N 1 1 327.350 4.213 50 0 EIAAMO C[NH2+]CCCNCc1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000247948144 564052808 /nfs/dbraw/zinc/05/28/08/564052808.db2.gz BJWAOVLEEHECLV-UHFFFAOYSA-N 1 1 341.886 4.042 50 0 EIAAMO Cc1cccc(Cn2cc(C[NH2+]CCCN(C)C)c3ccccc32)c1 ZINC000247949569 564052830 /nfs/dbraw/zinc/05/28/30/564052830.db2.gz BSGUQIZVFWEGHN-UHFFFAOYSA-N 1 1 335.495 4.039 50 0 EIAAMO Cc1cccc(Cn2cc(CNCCC[NH+](C)C)c3ccccc32)c1 ZINC000247949569 564052831 /nfs/dbraw/zinc/05/28/31/564052831.db2.gz BSGUQIZVFWEGHN-UHFFFAOYSA-N 1 1 335.495 4.039 50 0 EIAAMO CC[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000120885131 564060546 /nfs/dbraw/zinc/06/05/46/564060546.db2.gz PBFIIQNKTHMLBE-ZFWWWQNUSA-N 1 1 339.439 4.070 50 0 EIAAMO C[N@@H+]1CCO[C@]12CC[C@@H]1[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000299804154 564060845 /nfs/dbraw/zinc/06/08/45/564060845.db2.gz CZGMCXMFKOCFDA-HOQLVIGXSA-N 1 1 347.543 4.048 50 0 EIAAMO C[N@H+]1CCO[C@]12CC[C@@H]1[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000299804154 564060846 /nfs/dbraw/zinc/06/08/46/564060846.db2.gz CZGMCXMFKOCFDA-HOQLVIGXSA-N 1 1 347.543 4.048 50 0 EIAAMO Cc1cc(-c2ccc(C(=O)N(C)C[C@@H]3CCCC[N@H+]3C)cc2)cs1 ZINC000534585907 564061144 /nfs/dbraw/zinc/06/11/44/564061144.db2.gz ZUWGRYAEOREWEQ-IBGZPJMESA-N 1 1 342.508 4.280 50 0 EIAAMO Cc1nnc([C@@H]2CCC[N@H+]2CCOc2ccc(C(C)C)c(C)c2)o1 ZINC000084090064 564066443 /nfs/dbraw/zinc/06/64/43/564066443.db2.gz HJCKINGZGJFRBY-SFHVURJKSA-N 1 1 329.444 4.026 50 0 EIAAMO Cc1nnc([C@@H]2CCC[N@@H+]2CCOc2ccc(C(C)C)c(C)c2)o1 ZINC000084090064 564066444 /nfs/dbraw/zinc/06/64/44/564066444.db2.gz HJCKINGZGJFRBY-SFHVURJKSA-N 1 1 329.444 4.026 50 0 EIAAMO Clc1cc(C[N@H+]2CC[C@@H](c3ccccc3)C2)cc2c1OCCO2 ZINC000084525545 564068481 /nfs/dbraw/zinc/06/84/81/564068481.db2.gz QRXYHRNAZWUYMO-MRXNPFEDSA-N 1 1 329.827 4.101 50 0 EIAAMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)c3ccccc3F)n2)C1 ZINC000012791862 564070865 /nfs/dbraw/zinc/07/08/65/564070865.db2.gz FVWQKFXLNFINTP-STQMWFEESA-N 1 1 347.459 4.012 50 0 EIAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccc(F)cc1)Nc1ccccc1 ZINC000012918618 564078122 /nfs/dbraw/zinc/07/81/22/564078122.db2.gz YFCVDYHJGQKGCG-IBGZPJMESA-N 1 1 340.423 4.205 50 0 EIAAMO Cc1ccc(C)c([C@@H](C)[NH2+][C@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 ZINC000012930700 564078729 /nfs/dbraw/zinc/07/87/29/564078729.db2.gz HKVMECSBZKQILW-QRWLVFNGSA-N 1 1 340.442 4.113 50 0 EIAAMO C[C@@H](C(=O)Nc1ccccc1)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024664064 564082896 /nfs/dbraw/zinc/08/28/96/564082896.db2.gz QQSBFCYTIJKPHG-JKSUJKDBSA-N 1 1 349.434 4.034 50 0 EIAAMO CCOc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC000241942366 564088441 /nfs/dbraw/zinc/08/84/41/564088441.db2.gz ULYLRUWNCIPQDB-HLIPFELVSA-N 1 1 344.499 4.012 50 0 EIAAMO C[N@H+](CC/C=C1/c2ccccc2CSc2ccccc21)CCCO ZINC000002049823 564093393 /nfs/dbraw/zinc/09/33/93/564093393.db2.gz VLAPRQOFMVJAIG-ODLFYWEKSA-N 1 1 339.504 4.428 50 0 EIAAMO COc1cccc(OCCCC[N@H+]2CCCC[C@@H]2c2cccnc2)c1 ZINC000006624456 564094636 /nfs/dbraw/zinc/09/46/36/564094636.db2.gz ITNCHSZVTBOMMN-OAQYLSRUSA-N 1 1 340.467 4.476 50 0 biogenic EIAAMO Cc1cccc(C[N@@H+](CC(C)C)C[C@@H](O)COCc2ccccc2)c1 ZINC000036100379 564096052 /nfs/dbraw/zinc/09/60/52/564096052.db2.gz ZGDWIOIAVVBZFJ-JOCHJYFZSA-N 1 1 341.495 4.031 50 0 EIAAMO Cc1cccc(C[N@@H+](CC(C)C)C[C@@H](O)COc2ccccc2C)c1 ZINC000036100405 564096146 /nfs/dbraw/zinc/09/61/46/564096146.db2.gz PIRJCTGMRISONP-OAQYLSRUSA-N 1 1 341.495 4.201 50 0 EIAAMO Cc1nnc([C@@H](C)[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)o1 ZINC000071819457 564111217 /nfs/dbraw/zinc/11/12/17/564111217.db2.gz ZGPFAHHILOUCAE-SNVBAGLBSA-N 1 1 346.818 4.113 50 0 EIAAMO Cc1ccc(-c2nc(C[N@@H+]3CC[C@@H](Nc4ccccc4)C3)cs2)o1 ZINC000089656217 564112942 /nfs/dbraw/zinc/11/29/42/564112942.db2.gz DYEXMUPXEVXTDR-MRXNPFEDSA-N 1 1 339.464 4.398 50 0 EIAAMO Cc1ccc(-c2nc(C[N@H+]3CC[C@@H](Nc4ccccc4)C3)cs2)o1 ZINC000089656217 564112943 /nfs/dbraw/zinc/11/29/43/564112943.db2.gz DYEXMUPXEVXTDR-MRXNPFEDSA-N 1 1 339.464 4.398 50 0 EIAAMO O=C([C@H]([NH2+][C@H]1CCc2ccccc21)c1ccccc1)N1CCCCC1 ZINC000089825760 564114061 /nfs/dbraw/zinc/11/40/61/564114061.db2.gz AMMVVOCZZCQNTQ-LEWJYISDSA-N 1 1 334.463 4.017 50 0 EIAAMO Clc1ccc(-c2noc(C[N@H+]3CC[C@H]4CCCC[C@@H]4C3)n2)cc1 ZINC000007590620 564117987 /nfs/dbraw/zinc/11/79/87/564117987.db2.gz BSYRCJUYJNQRAO-UKRRQHHQSA-N 1 1 331.847 4.402 50 0 EIAAMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)c2c(C)[nH]c3ccccc32)cc1 ZINC000007652790 564121587 /nfs/dbraw/zinc/12/15/87/564121587.db2.gz UWILENBWJHMEIQ-OAHLLOKOSA-N 1 1 336.435 4.188 50 0 EIAAMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)c2c(C)[nH]c3ccccc32)cc1 ZINC000007652790 564121588 /nfs/dbraw/zinc/12/15/88/564121588.db2.gz UWILENBWJHMEIQ-OAHLLOKOSA-N 1 1 336.435 4.188 50 0 EIAAMO O=C(CC[N@@H+]1CCCC[C@H]1c1nccs1)Nc1ccccc1Cl ZINC000195439849 564123474 /nfs/dbraw/zinc/12/34/74/564123474.db2.gz NHHBHYAKSFVDGZ-HNNXBMFYSA-N 1 1 349.887 4.352 50 0 EIAAMO O=C(CC[N@H+]1CCCC[C@H]1c1nccs1)Nc1ccccc1Cl ZINC000195439849 564123475 /nfs/dbraw/zinc/12/34/75/564123475.db2.gz NHHBHYAKSFVDGZ-HNNXBMFYSA-N 1 1 349.887 4.352 50 0 EIAAMO CC(C)c1ccc(NC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019909287 564129081 /nfs/dbraw/zinc/12/90/81/564129081.db2.gz SNRKQRKEPJGLBN-UHFFFAOYSA-N 1 1 337.467 4.160 50 0 EIAAMO CCc1cnc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)s1 ZINC000095968989 564143332 /nfs/dbraw/zinc/14/33/32/564143332.db2.gz JFAQBXBPEXRCND-CHWSQXEVSA-N 1 1 345.468 4.074 50 0 EIAAMO C[C@@H]1CCC[N@@H+]([C@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)C1 ZINC000058012617 564157213 /nfs/dbraw/zinc/15/72/13/564157213.db2.gz SACHTOPZGFUHHW-KDOFPFPSSA-N 1 1 334.891 4.172 50 0 EIAAMO C[C@@H]1CCC[N@H+]([C@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)C1 ZINC000058012617 564157214 /nfs/dbraw/zinc/15/72/14/564157214.db2.gz SACHTOPZGFUHHW-KDOFPFPSSA-N 1 1 334.891 4.172 50 0 EIAAMO Cc1ccc(C[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000058068771 564157394 /nfs/dbraw/zinc/15/73/94/564157394.db2.gz DAAXJELPQXBUED-UHFFFAOYSA-N 1 1 349.400 4.121 50 0 EIAAMO COc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000008127134 564162860 /nfs/dbraw/zinc/16/28/60/564162860.db2.gz SQLVZRGBUYALHW-MRXNPFEDSA-N 1 1 348.446 4.307 50 0 EIAAMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000008130937 564163004 /nfs/dbraw/zinc/16/30/04/564163004.db2.gz OZJPWKIZVIVSQY-KRWDZBQOSA-N 1 1 340.467 4.079 50 0 EIAAMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000008130937 564163005 /nfs/dbraw/zinc/16/30/05/564163005.db2.gz OZJPWKIZVIVSQY-KRWDZBQOSA-N 1 1 340.467 4.079 50 0 EIAAMO COc1ccc(OCCCC[N@H+]2CCCC[C@@H]2c2cccnc2)cc1 ZINC000008742754 564167197 /nfs/dbraw/zinc/16/71/97/564167197.db2.gz UFWYUIILNHQFIM-OAQYLSRUSA-N 1 1 340.467 4.476 50 0 biogenic EIAAMO CC(C)c1noc([C@H](C)[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)n1 ZINC000069659877 564171292 /nfs/dbraw/zinc/17/12/92/564171292.db2.gz PAPZDTQULAEQII-ZDUSSCGKSA-N 1 1 339.443 4.010 50 0 EIAAMO C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000071841198 564175856 /nfs/dbraw/zinc/17/58/56/564175856.db2.gz APCTXLSRBMIFMU-CYBMUJFWSA-N 1 1 336.439 4.369 50 0 EIAAMO CC(C)(C)c1oc(C(N)=O)cc1C[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000077300060 564176679 /nfs/dbraw/zinc/17/66/79/564176679.db2.gz PHBTYEIIZMHLIW-HNNXBMFYSA-N 1 1 344.455 4.386 50 0 EIAAMO COc1cc(OC)c(OC)cc1C[N@H+](C)Cc1cc2ccccc2o1 ZINC000135153634 1021052673 /nfs/dbraw/zinc/05/26/73/1021052673.db2.gz HNGSLWCTECRIBP-UHFFFAOYSA-N 1 1 341.407 4.091 50 0 EIAAMO COc1cc(OC)c(OC)cc1C[N@@H+](C)Cc1cc2ccccc2o1 ZINC000135153634 1021052678 /nfs/dbraw/zinc/05/26/78/1021052678.db2.gz HNGSLWCTECRIBP-UHFFFAOYSA-N 1 1 341.407 4.091 50 0 EIAAMO Cc1ccc(C[N@H+]2CCCCCCNC(=O)C[C@H]2c2ccccc2)o1 ZINC000257191995 1022754847 /nfs/dbraw/zinc/75/48/47/1022754847.db2.gz QDKNNVRXOXJJBU-FQEVSTJZSA-N 1 1 340.467 4.212 50 0 EIAAMO C[C@@]1(COc2ccncc2)CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000257195708 1022780369 /nfs/dbraw/zinc/78/03/69/1022780369.db2.gz WSESRWUBFQCIHJ-LJQANCHMSA-N 1 1 332.394 4.041 50 0 EIAAMO C[C@@]1(COc2ccncc2)CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000257195708 1022780403 /nfs/dbraw/zinc/78/04/03/1022780403.db2.gz WSESRWUBFQCIHJ-LJQANCHMSA-N 1 1 332.394 4.041 50 0 EIAAMO CC[N@@H+](Cc1ccncc1)[C@H]1CCCN(Cc2ccc(Cl)s2)C1 ZINC000022912987 1026370805 /nfs/dbraw/zinc/37/08/05/1026370805.db2.gz QPSKFCOVMSTLNG-INIZCTEOSA-N 1 1 349.931 4.283 50 0 EIAAMO CC(C)[N@H+]1CC2(CC[NH+](Cc3ccncc3)CC2)[C@H]1c1ccccc1 ZINC000257183165 1036308196 /nfs/dbraw/zinc/30/81/96/1036308196.db2.gz HGDYZVJLAJVBSU-OAQYLSRUSA-N 1 1 335.495 4.129 50 0 EIAAMO CCOC1CC2(C1)CC[N@@H+](Cc1ccc(Oc3ccccc3)o1)C2 ZINC000809707813 1040011703 /nfs/dbraw/zinc/01/17/03/1040011703.db2.gz PEDBKPMMMOICNJ-UHFFFAOYSA-N 1 1 327.424 4.463 50 0 EIAAMO Cc1cccc(C[N@@H+](Cc2ccc3c[nH]nc3c2)Cc2ccccn2)c1 ZINC000131979189 1043285068 /nfs/dbraw/zinc/28/50/68/1043285068.db2.gz SYEDXAYCIBCKLN-UHFFFAOYSA-N 1 1 342.446 4.469 50 0 EIAAMO COc1ccc2c(c1)[C@H](C)[N@H+](Cc1ccc(-c3cc[nH]n3)s1)CC2 ZINC000824751106 1044525706 /nfs/dbraw/zinc/52/57/06/1044525706.db2.gz PKHKRQXGIDIHCF-ZDUSSCGKSA-N 1 1 339.464 4.266 50 0 EIAAMO CC(C)c1ccc(CN(C(=O)[C@@H]2CCCCC[N@H+]2C)C2CC2)cc1 ZINC000952963502 1049680661 /nfs/dbraw/zinc/68/06/61/1049680661.db2.gz KQBRMGMAOSPPTD-FQEVSTJZSA-N 1 1 328.500 4.175 50 0 EIAAMO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2nnc3ccccn32)cc1Cl ZINC000952962882 1049681958 /nfs/dbraw/zinc/68/19/58/1049681958.db2.gz DMGPFWLTDFPIPY-ZDUSSCGKSA-N 1 1 344.846 4.021 50 0 EIAAMO CCCc1cc(C[NH2+]Cc2cnc(-c3cccc(OC)c3)s2)on1 ZINC000952978797 1049686703 /nfs/dbraw/zinc/68/67/03/1049686703.db2.gz ZTZQFMDKUPUPJP-UHFFFAOYSA-N 1 1 343.452 4.049 50 0 EIAAMO Cc1ccc(NC(=O)N2CC[C@@H]3C[N@@H+](Cc4ccccc4)[C@@H]3C2)cc1C ZINC000581798204 1060004838 /nfs/dbraw/zinc/00/48/38/1060004838.db2.gz HSUZKCQXVJGZAZ-TZIWHRDSSA-N 1 1 349.478 4.042 50 0 EIAAMO Cc1c[nH+]c(C[C@@H]2CCN(C(=O)CCC3CCCC3)C2)n1C(C)C ZINC000581806098 1060015922 /nfs/dbraw/zinc/01/59/22/1060015922.db2.gz LDTPWYTYPLKADH-SFHVURJKSA-N 1 1 331.504 4.134 50 0 EIAAMO CCCCOc1c(C[NH2+][C@H](C)c2ncccc2C)cccc1OC ZINC000055310118 214304974 /nfs/dbraw/zinc/30/49/74/214304974.db2.gz PPIWPJFOKZUKJI-MRXNPFEDSA-N 1 1 328.456 4.428 50 0 EIAAMO COc1ccc(C[N@@H+](Cc2ccccn2)CC(C)C)c(Cl)c1O ZINC000055344504 214310188 /nfs/dbraw/zinc/31/01/88/214310188.db2.gz FZDUAILPMGAQLO-UHFFFAOYSA-N 1 1 334.847 4.107 50 0 EIAAMO COc1ccc(C[N@H+](Cc2ccccn2)CC(C)C)c(Cl)c1O ZINC000055344504 214310191 /nfs/dbraw/zinc/31/01/91/214310191.db2.gz FZDUAILPMGAQLO-UHFFFAOYSA-N 1 1 334.847 4.107 50 0 EIAAMO CCC[C@@H](C)[N@@H+](C)Cc1nc(-c2cc(Br)cs2)no1 ZINC000056284310 214367804 /nfs/dbraw/zinc/36/78/04/214367804.db2.gz QGHVMJYBQLXYMD-SECBINFHSA-N 1 1 344.278 4.181 50 0 EIAAMO CCC[C@H](C)[N@@H+](C)Cc1nc(-c2cc(Br)cs2)no1 ZINC000056284311 214367954 /nfs/dbraw/zinc/36/79/54/214367954.db2.gz QGHVMJYBQLXYMD-VIFPVBQESA-N 1 1 344.278 4.181 50 0 EIAAMO CCNc1nc(Nc2ccc(NC(=O)c3ccccc3)cc2)cc(C)[nH+]1 ZINC000064800716 214805715 /nfs/dbraw/zinc/80/57/15/214805715.db2.gz VJSFHNRMLWIHEP-UHFFFAOYSA-N 1 1 347.422 4.213 50 0 EIAAMO C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000003904793 210089050 /nfs/dbraw/zinc/08/90/50/210089050.db2.gz ALSKJBPWZSRVLV-KSZLIROESA-N 1 1 336.479 4.133 50 0 EIAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000003322021 210006575 /nfs/dbraw/zinc/00/65/75/210006575.db2.gz JSQYUKKJLJXHJF-HDICACEKSA-N 1 1 336.479 4.479 50 0 EIAAMO Oc1ccc(C[NH+]2CCC([C@@H](O)c3cccs3)CC2)c(Cl)c1 ZINC000067691265 215185803 /nfs/dbraw/zinc/18/58/03/215185803.db2.gz ZTCWZJWPPGVEDI-QGZVFWFLSA-N 1 1 337.872 4.053 50 0 EIAAMO CC(C)c1cc(C2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)n[nH]1 ZINC000067805233 215218493 /nfs/dbraw/zinc/21/84/93/215218493.db2.gz IXUCLWDDIUDIHS-UHFFFAOYSA-N 1 1 349.482 4.303 50 0 EIAAMO Cc1cccc(C(C)(C)C)c1NC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000067946371 215256405 /nfs/dbraw/zinc/25/64/05/215256405.db2.gz XAJHSJSDPNZJFB-INIZCTEOSA-N 1 1 331.504 4.146 50 0 EIAAMO O=C(c1cccc(C[NH+]2CCC2)c1)c1ccc(Br)cc1F ZINC000002515135 209860277 /nfs/dbraw/zinc/86/02/77/209860277.db2.gz CMCLVIFVHYOHMD-UHFFFAOYSA-N 1 1 348.215 4.025 50 0 EIAAMO Cc1ccc(-c2ccsc2C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000040108189 213267544 /nfs/dbraw/zinc/26/75/44/213267544.db2.gz HAXVMUZEKPPLPJ-ZWKOTPCHSA-N 1 1 340.492 4.080 50 0 EIAAMO CC(C)c1noc([C@H](C)[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)n1 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COc1ccc([C@H]2CCC[N@H+]2Cc2cnn(-c3ccccc3)c2)cc1 ZINC000025810921 563888691 /nfs/dbraw/zinc/88/86/91/563888691.db2.gz DOVKUHZNMNOBDZ-OAQYLSRUSA-N 1 1 333.435 4.218 50 0 EIAAMO CCC[N@@H+](Cc1ccccc1)Cc1cc(=O)oc2ccc(OC)cc12 ZINC000033018692 563914758 /nfs/dbraw/zinc/91/47/58/563914758.db2.gz JAPPIYUVSFDJGF-UHFFFAOYSA-N 1 1 337.419 4.214 50 0 EIAAMO COc1cc(OC)c(C[N@@H+](C)C2CCCCC2)cc1Br ZINC000023282154 563919388 /nfs/dbraw/zinc/91/93/88/563919388.db2.gz LRSYZDQNMLCCCN-UHFFFAOYSA-N 1 1 342.277 4.231 50 0 EIAAMO O[C@@H](C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)c1ccccc1 ZINC000034879006 563919875 /nfs/dbraw/zinc/91/98/75/563919875.db2.gz NLYDMZIZDAUGBL-WMZOPIPTSA-N 1 1 338.476 4.209 50 0 EIAAMO Cc1ccccc1C[N@@H+]1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000060339718 563931591 /nfs/dbraw/zinc/93/15/91/563931591.db2.gz HKJJFMIBUNTJMH-QGZVFWFLSA-N 1 1 332.488 4.074 50 0 EIAAMO CC(C)N(C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000058023357 563936835 /nfs/dbraw/zinc/93/68/35/563936835.db2.gz SKSVJXIVWWXCBN-HXUWFJFHSA-N 1 1 340.442 4.404 50 0 EIAAMO CC(C)N(C(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000058023357 563936837 /nfs/dbraw/zinc/93/68/37/563936837.db2.gz SKSVJXIVWWXCBN-HXUWFJFHSA-N 1 1 340.442 4.404 50 0 EIAAMO Cc1cc2oc(=O)cc(C[N@@H+](C)Cc3cccc(F)c3)c2cc1C ZINC000058167034 563938729 /nfs/dbraw/zinc/93/87/29/563938729.db2.gz SEBHDCTVYFWHHJ-UHFFFAOYSA-N 1 1 325.383 4.181 50 0 EIAAMO c1ccc(Cc2noc(C[N@H+]3CCC[C@@H]3C3CCCCC3)n2)cc1 ZINC000058209046 563939840 /nfs/dbraw/zinc/93/98/40/563939840.db2.gz CDFVESZUEWPTFV-GOSISDBHSA-N 1 1 325.456 4.205 50 0 EIAAMO C[C@H]([NH2+][C@@H](c1nccs1)C1CC1)c1ccc(N2CCCC2=O)cc1 ZINC000096478553 563955163 /nfs/dbraw/zinc/95/51/63/563955163.db2.gz LMXZPOPDEIHEAL-SCLBCKFNSA-N 1 1 341.480 4.072 50 0 EIAAMO CC[C@@H](C)[N@@H+](Cc1cn(C(C)=O)c2ccccc12)Cc1cccnc1 ZINC000063846914 563956183 /nfs/dbraw/zinc/95/61/83/563956183.db2.gz PTTZELQHIXMVPC-MRXNPFEDSA-N 1 1 335.451 4.497 50 0 EIAAMO CCC(CC)n1ncc(C)c1NC(=O)[C@H](C)n1cc[nH+]c1C(C)C ZINC000065432324 563960863 /nfs/dbraw/zinc/96/08/63/563960863.db2.gz SPRNWAGJECDKAX-AWEZNQCLSA-N 1 1 331.464 4.072 50 0 EIAAMO COc1cccc([C@H]2CC[N@H+]2CCC(=O)Nc2cc(C)ccc2C)c1 ZINC000065461735 563961154 /nfs/dbraw/zinc/96/11/54/563961154.db2.gz YXQXOYIYJSFEIK-HXUWFJFHSA-N 1 1 338.451 4.088 50 0 EIAAMO CCc1ncc(C[N@H+]2CCC[C@@H](CCc3c(F)cccc3F)C2)cn1 ZINC000071746854 563964943 /nfs/dbraw/zinc/96/49/43/563964943.db2.gz QJCCQCYKZUDUGV-HNNXBMFYSA-N 1 1 345.437 4.162 50 0 EIAAMO CCc1cc([C@@H]2CCC[N@H+]2Cc2c[nH]nc2-c2ccc(C)cc2)on1 ZINC000075448544 563967309 /nfs/dbraw/zinc/96/73/09/563967309.db2.gz OTJKULHEWCTKJK-SFHVURJKSA-N 1 1 336.439 4.273 50 0 EIAAMO c1cn(CC[C@@H]2CCCC[N@H+]2Cc2ccc(-c3ccccn3)cc2)cn1 ZINC000077505990 563970104 /nfs/dbraw/zinc/97/01/04/563970104.db2.gz BIMFAIGQAXVNNU-NRFANRHFSA-N 1 1 346.478 4.390 50 0 EIAAMO c1cn(CC2CC2)c([C@@H]2CCCN(c3nccc4ccccc43)C2)[nH+]1 ZINC000082166418 563972873 /nfs/dbraw/zinc/97/28/73/563972873.db2.gz IFQUTTNFERMKSX-GOSISDBHSA-N 1 1 332.451 4.225 50 0 EIAAMO Cc1ccc(NC(=O)N2CCC(C[N@@H+]3CCC[C@H](C)C3)CC2)cc1C ZINC000033312151 563973569 /nfs/dbraw/zinc/97/35/69/563973569.db2.gz RRLMVZLILVEPSO-INIZCTEOSA-N 1 1 343.515 4.279 50 0 EIAAMO Cc1c(Cl)ccc(OCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000016247456 563976223 /nfs/dbraw/zinc/97/62/23/563976223.db2.gz PSYQTMZSCPLXOX-OKILXGFUSA-N 1 1 325.880 4.225 50 0 EIAAMO C[N@@H+](Cc1ccccc1NC(=O)N1CCSCC1)C1CCCCC1 ZINC000095517487 563977311 /nfs/dbraw/zinc/97/73/11/563977311.db2.gz FSANJGXSZUUUDJ-UHFFFAOYSA-N 1 1 347.528 4.032 50 0 EIAAMO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1)Nc1cccc(Cl)c1Cl ZINC000247800299 563981669 /nfs/dbraw/zinc/98/16/69/563981669.db2.gz VAACTTPNVPNLFH-STQMWFEESA-N 1 1 341.282 4.444 50 0 EIAAMO O=C(C[N@H+]1CC[C@@H]2CCCC[C@H]2C1)Nc1cccc(Cl)c1Cl ZINC000247800299 563981670 /nfs/dbraw/zinc/98/16/70/563981670.db2.gz VAACTTPNVPNLFH-STQMWFEESA-N 1 1 341.282 4.444 50 0 EIAAMO O=C1Nc2ccc(Cl)cc2[C@@H](c2ccccc2)[C@H]1[NH+]1CCCCC1 ZINC000000205932 563988492 /nfs/dbraw/zinc/98/84/92/563988492.db2.gz RFJOHFMXEIPMJX-RTBURBONSA-N 1 1 340.854 4.279 50 0 EIAAMO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]Cc1ccccc1 ZINC000061002719 563992295 /nfs/dbraw/zinc/99/22/95/563992295.db2.gz GWZIXJIECYTZJJ-UHFFFAOYSA-N 1 1 339.870 4.491 50 0 EIAAMO Cc1ccc([C@H](CC[NH2+]CCCN(C)C)[C@H]2CCOC(C)(C)C2)cc1 ZINC000005348427 564002988 /nfs/dbraw/zinc/00/29/88/564002988.db2.gz DJFIHPNECOPQER-SFTDATJTSA-N 1 1 346.559 4.215 50 0 EIAAMO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)N(C)Cc1ccccc1 ZINC000032754440 564036148 /nfs/dbraw/zinc/03/61/48/564036148.db2.gz RRKJGJPNSHDIRM-INIZCTEOSA-N 1 1 336.435 4.084 50 0 EIAAMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)N(C)Cc1ccccc1 ZINC000032754440 564036149 /nfs/dbraw/zinc/03/61/49/564036149.db2.gz RRKJGJPNSHDIRM-INIZCTEOSA-N 1 1 336.435 4.084 50 0 EIAAMO C[NH+](C)[C@H](CNC(=O)c1ccc(Cl)s1)c1ccccc1Cl ZINC000033028468 564036384 /nfs/dbraw/zinc/03/63/84/564036384.db2.gz VOCSSNYFVUIOAV-GFCCVEGCSA-N 1 1 343.279 4.088 50 0 EIAAMO Cc1nc(C[N@H+](C)[C@@]2(CO)CC[C@@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000225333735 564046037 /nfs/dbraw/zinc/04/60/37/564046037.db2.gz ZJFWYQUUFHJRQS-YJYMSZOUSA-N 1 1 348.874 4.286 50 0 EIAAMO O[C@]12CCCC[C@H]1C[N@H+](Cc1csc(Nc3ccccc3)n1)CC2 ZINC000225428718 564046639 /nfs/dbraw/zinc/04/66/39/564046639.db2.gz VVZSLQXGIPZXFA-KXBFYZLASA-N 1 1 343.496 4.014 50 0 EIAAMO O[C@]12CCCC[C@H]1C[N@@H+](Cc1csc(Nc3ccccc3)n1)CC2 ZINC000225428718 564046640 /nfs/dbraw/zinc/04/66/40/564046640.db2.gz VVZSLQXGIPZXFA-KXBFYZLASA-N 1 1 343.496 4.014 50 0 EIAAMO COc1ccc(Br)c(C[N@@H+]2CCC[C@@H]2c2cccn2C)c1 ZINC000225533031 564047583 /nfs/dbraw/zinc/04/75/83/564047583.db2.gz LAQPQZNEERIYLS-QGZVFWFLSA-N 1 1 349.272 4.133 50 0 EIAAMO COc1ccc(Br)c(C[N@H+]2CCC[C@@H]2c2cccn2C)c1 ZINC000225533031 564047584 /nfs/dbraw/zinc/04/75/84/564047584.db2.gz LAQPQZNEERIYLS-QGZVFWFLSA-N 1 1 349.272 4.133 50 0 EIAAMO COCC[N@H+](Cc1cncn1C1CCCCC1)Cc1ccccc1C ZINC000244795125 564052254 /nfs/dbraw/zinc/05/22/54/564052254.db2.gz QZYBJDXAUISOHL-UHFFFAOYSA-N 1 1 341.499 4.345 50 0 EIAAMO COCC[N@@H+](Cc1cncn1C1CCCCC1)Cc1ccccc1C ZINC000244795125 564052255 /nfs/dbraw/zinc/05/22/55/564052255.db2.gz QZYBJDXAUISOHL-UHFFFAOYSA-N 1 1 341.499 4.345 50 0 EIAAMO O[C@H]1CCC[N@@H+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000084392874 564068035 /nfs/dbraw/zinc/06/80/35/564068035.db2.gz FVOKCGBYNZRHBD-FQEVSTJZSA-N 1 1 345.433 4.334 50 0 EIAAMO CC[N@@H+](C)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)OC ZINC000084760871 564070076 /nfs/dbraw/zinc/07/00/76/564070076.db2.gz WQGCGJIKBZTWSZ-UHFFFAOYSA-N 1 1 334.419 4.140 50 0 EIAAMO Cc1ccc(NC(=O)C2=CC[N@@H+](Cc3ccc(F)cc3)CC2)cc1F ZINC000015861034 564076883 /nfs/dbraw/zinc/07/68/83/564076883.db2.gz KYQKLBDCACMVAW-UHFFFAOYSA-N 1 1 342.389 4.044 50 0 EIAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2occc2-c2ccccc2)C1 ZINC000075130996 564080461 /nfs/dbraw/zinc/08/04/61/564080461.db2.gz JUWWYTDPYYHIST-QGZVFWFLSA-N 1 1 349.434 4.183 50 0 EIAAMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000075132225 564080497 /nfs/dbraw/zinc/08/04/97/564080497.db2.gz OJYQASKZFDIQKE-KRWDZBQOSA-N 1 1 336.439 4.029 50 0 EIAAMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000075132225 564080498 /nfs/dbraw/zinc/08/04/98/564080498.db2.gz OJYQASKZFDIQKE-KRWDZBQOSA-N 1 1 336.439 4.029 50 0 EIAAMO C[C@H](C(=O)Nc1ccccc1)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024664059 564082912 /nfs/dbraw/zinc/08/29/12/564082912.db2.gz QQSBFCYTIJKPHG-HZPDHXFCSA-N 1 1 349.434 4.034 50 0 EIAAMO O=c1[nH]c(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)nc2cc(Cl)ccc21 ZINC000242302061 564088488 /nfs/dbraw/zinc/08/84/88/564088488.db2.gz YPFWVAOXGRJEHB-OLZOCXBDSA-N 1 1 331.847 4.001 50 0 EIAAMO O=c1[nH]c(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)nc2cc(Cl)ccc21 ZINC000242302061 564088489 /nfs/dbraw/zinc/08/84/89/564088489.db2.gz YPFWVAOXGRJEHB-OLZOCXBDSA-N 1 1 331.847 4.001 50 0 EIAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Cl)cc2)N3)C1 ZINC000006594376 564092535 /nfs/dbraw/zinc/09/25/35/564092535.db2.gz KHYZJXLSWMHELY-HNNXBMFYSA-N 1 1 347.871 4.208 50 0 EIAAMO CC(C)Oc1ccc(OCC[N@H+]2CCCC[C@H]2c2cccnc2)cc1 ZINC000006624463 564094595 /nfs/dbraw/zinc/09/45/95/564094595.db2.gz WFGYKJPBHDEMPA-NRFANRHFSA-N 1 1 340.467 4.475 50 0 biogenic EIAAMO CC(C)Oc1ccc(OCC[N@H+]2CCCC[C@@H]2c2cccnc2)cc1 ZINC000006624462 564094650 /nfs/dbraw/zinc/09/46/50/564094650.db2.gz WFGYKJPBHDEMPA-OAQYLSRUSA-N 1 1 340.467 4.475 50 0 biogenic EIAAMO CC[C@H](C)[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000169678663 564098112 /nfs/dbraw/zinc/09/81/12/564098112.db2.gz NJDZQVWFUNLYOV-QFBILLFUSA-N 1 1 347.886 4.380 50 0 EIAAMO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)Nc1cccc(Cl)c1Cl ZINC000006881924 564100625 /nfs/dbraw/zinc/10/06/25/564100625.db2.gz VAACTTPNVPNLFH-QWHCGFSZSA-N 1 1 341.282 4.444 50 0 EIAAMO O=C(C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)Nc1cccc(Cl)c1Cl ZINC000006881924 564100626 /nfs/dbraw/zinc/10/06/26/564100626.db2.gz VAACTTPNVPNLFH-QWHCGFSZSA-N 1 1 341.282 4.444 50 0 EIAAMO COc1ccc(-c2nc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cs2)cc1OC ZINC000007001498 564102986 /nfs/dbraw/zinc/10/29/86/564102986.db2.gz HZMYFGMYYPWYMU-OKILXGFUSA-N 1 1 346.496 4.305 50 0 EIAAMO C[C@@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)N1CCc2ccccc21 ZINC000007003177 564103012 /nfs/dbraw/zinc/10/30/12/564103012.db2.gz AECRKWDWGGQOHJ-QGZVFWFLSA-N 1 1 349.478 4.067 50 0 EIAAMO C[N@@H+](CCNC(=O)c1cc2cn(C3CC3)cc2s1)C1CCCCC1 ZINC000065285714 564104346 /nfs/dbraw/zinc/10/43/46/564104346.db2.gz DUNZEIMNXIXKGC-UHFFFAOYSA-N 1 1 345.512 4.032 50 0 EIAAMO Cc1ccccc1C[N@H+]1CCCC[C@H]1c1nc(-c2ccncc2)no1 ZINC000065286103 564104390 /nfs/dbraw/zinc/10/43/90/564104390.db2.gz GNJOCUCLGSXHDD-SFHVURJKSA-N 1 1 334.423 4.167 50 0 EIAAMO CC(C)c1noc(CNc2cccc3c2C[N@@H+]([C@H](C)C(C)C)C3)n1 ZINC000065501796 564106615 /nfs/dbraw/zinc/10/66/15/564106615.db2.gz KDBVXYBDUYQOQV-CQSZACIVSA-N 1 1 328.460 4.165 50 0 EIAAMO Cc1[nH+]ccn1Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000065523458 564106887 /nfs/dbraw/zinc/10/68/87/564106887.db2.gz HZLRIHXXQQCWKN-UHFFFAOYSA-N 1 1 331.375 4.238 50 0 EIAAMO CC(C)c1nc(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)cs1 ZINC000071819607 564111259 /nfs/dbraw/zinc/11/12/59/564111259.db2.gz LAHUIJYGVVCZPU-GFCCVEGCSA-N 1 1 329.469 4.002 50 0 EIAAMO CCOC(=O)c1c(C[N@@H+](C)[C@H]2CCC[C@@H]2SC)oc2ccccc21 ZINC000076089749 564115610 /nfs/dbraw/zinc/11/56/10/564115610.db2.gz HCEUSORQMVIKQK-YOEHRIQHSA-N 1 1 347.480 4.325 50 0 EIAAMO Cc1cccc(C2(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCCCC2)c1 ZINC000253419451 564130924 /nfs/dbraw/zinc/13/09/24/564130924.db2.gz SGDHBMROYUMTII-OALUTQOASA-N 1 1 342.527 4.043 50 0 EIAAMO O=c1[nH]c2ccccc2cc1C[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC000585123527 564133992 /nfs/dbraw/zinc/13/39/92/564133992.db2.gz DZSHRHSYGPBYFI-UHFFFAOYSA-N 1 1 340.373 4.388 50 0 EIAAMO Cc1ccc(C[N@H+](Cc2nnc([C@@H]3CCCOC3)o2)C(C)(C)C)cc1 ZINC000585123493 564134008 /nfs/dbraw/zinc/13/40/08/564134008.db2.gz RHXOWVQIUAMIRX-QGZVFWFLSA-N 1 1 343.471 4.073 50 0 EIAAMO Cc1ccc(C[N@@H+](Cc2nnc([C@@H]3CCCOC3)o2)C(C)(C)C)cc1 ZINC000585123493 564134009 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Cc1ccc([C@H](C(=O)NC2CCCCC2)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000058012676 564157173 /nfs/dbraw/zinc/15/71/73/564157173.db2.gz QRHFGHHFRSTMOW-FXAWDEMLSA-N 1 1 328.500 4.217 50 0 EIAAMO C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000245237680 564168798 /nfs/dbraw/zinc/16/87/98/564168798.db2.gz QLLGRFSREQQRPP-OLMNPRSZSA-N 1 1 334.891 4.172 50 0 EIAAMO C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000245237680 564168799 /nfs/dbraw/zinc/16/87/99/564168799.db2.gz QLLGRFSREQQRPP-OLMNPRSZSA-N 1 1 334.891 4.172 50 0 EIAAMO CCc1cccc(CC)c1NC(=O)C[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000069589119 564170734 /nfs/dbraw/zinc/17/07/34/564170734.db2.gz GSZLRYFGPPARPH-OAHLLOKOSA-N 1 1 340.467 4.149 50 0 EIAAMO CCc1cccc(CC)c1NC(=O)C[N@@H+](C)[C@H](C)c1cccc(O)c1 ZINC000069589119 564170735 /nfs/dbraw/zinc/17/07/35/564170735.db2.gz GSZLRYFGPPARPH-OAHLLOKOSA-N 1 1 340.467 4.149 50 0 EIAAMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cc3cc(F)ccc3s2)C1 ZINC000069849530 564172530 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/nfs/dbraw/zinc/36/90/69/212369069.db2.gz GJRGTVAXZKBTCD-CQSZACIVSA-N 1 1 346.521 4.268 50 0 EIAAMO COC[C@@H](c1ccccn1)[N@H+](C)Cc1ccc2cccc(Cl)c2n1 ZINC000215095901 241106398 /nfs/dbraw/zinc/10/63/98/241106398.db2.gz PTHIBHCFQNAFTG-SFHVURJKSA-N 1 1 341.842 4.103 50 0 EIAAMO COC[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc2cccc(Cl)c2n1 ZINC000215095901 241106402 /nfs/dbraw/zinc/10/64/02/241106402.db2.gz PTHIBHCFQNAFTG-SFHVURJKSA-N 1 1 341.842 4.103 50 0 EIAAMO CCn1ccc2ccc(C[N@H+]3CCN(C)[C@H](c4ccccc4)C3)cc21 ZINC000215700098 241139811 /nfs/dbraw/zinc/13/98/11/241139811.db2.gz NGCFKIXPXHBZDW-QFIPXVFZSA-N 1 1 333.479 4.150 50 0 EIAAMO c1cnn(Cc2ccccc2C[N@H+]2CCCC[C@@H]2c2cccnc2)c1 ZINC000215405933 241122012 /nfs/dbraw/zinc/12/20/12/241122012.db2.gz RNDQYSUMVKFVLM-OAQYLSRUSA-N 1 1 332.451 4.054 50 0 EIAAMO Cc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2N(C)C ZINC000021798047 212252254 /nfs/dbraw/zinc/25/22/54/212252254.db2.gz PTOVECXZNBWUMW-UHFFFAOYSA-N 1 1 328.419 4.462 50 0 EIAAMO CCOc1ccc(C[N@H+]2CCC[C@H]2c2c(C)noc2C)cc1OCC ZINC000021720337 212245149 /nfs/dbraw/zinc/24/51/49/212245149.db2.gz YCDHVELNDAOPOE-KRWDZBQOSA-N 1 1 344.455 4.426 50 0 EIAAMO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2c(C)noc2C)cc1OC ZINC000021720596 212243780 /nfs/dbraw/zinc/24/37/80/212243780.db2.gz FBFSISXJLPTSOC-MRXNPFEDSA-N 1 1 330.428 4.036 50 0 EIAAMO Cc1ccccc1NC(=O)N1CCC(C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000021718172 212243301 /nfs/dbraw/zinc/24/33/01/212243301.db2.gz AUIIVFQZYLSSHN-CALCHBBNSA-N 1 1 343.515 4.217 50 0 EIAAMO CC[NH+](CC)c1ccc(Nc2nc3ccccc3c3nncn32)c(C)c1 ZINC000020943062 212192302 /nfs/dbraw/zinc/19/23/02/212192302.db2.gz SEVDCJSAYMYKED-UHFFFAOYSA-N 1 1 346.438 4.176 50 0 EIAAMO CCc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@H]1c1cc(C)on1 ZINC000244758084 243076717 /nfs/dbraw/zinc/07/67/17/243076717.db2.gz OSCSXYDEIFOYPB-IBGZPJMESA-N 1 1 341.455 4.101 50 0 EIAAMO CCc1ccccc1NC(=O)CC[N@H+]1CCCC[C@H]1c1cc(C)on1 ZINC000244758084 243076722 /nfs/dbraw/zinc/07/67/22/243076722.db2.gz 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/nfs/dbraw/zinc/18/80/02/217188002.db2.gz MHJXSUCXNPCDIV-UHFFFAOYSA-N 1 1 346.521 4.071 50 0 EIAAMO COc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)c(OC)c1OC ZINC000015837183 211859305 /nfs/dbraw/zinc/85/93/05/211859305.db2.gz WUFFWOYYYZSQEY-KRWDZBQOSA-N 1 1 345.414 4.189 50 0 EIAAMO COc1ccc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)c(OC)c1OC ZINC000015837183 211859307 /nfs/dbraw/zinc/85/93/07/211859307.db2.gz WUFFWOYYYZSQEY-KRWDZBQOSA-N 1 1 345.414 4.189 50 0 EIAAMO CC(C)c1ccc(CN2CCC[C@]3(CC[N@H+](C(C)C)C3)C2=O)cc1 ZINC000012473371 211390547 /nfs/dbraw/zinc/39/05/47/211390547.db2.gz BMKYSFLJHPPTHH-OAQYLSRUSA-N 1 1 328.500 4.033 50 0 EIAAMO O=C(c1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000012432878 211379500 /nfs/dbraw/zinc/37/95/00/211379500.db2.gz NUIGUSQLVUEDRL-INIZCTEOSA-N 1 1 348.368 4.195 50 0 EIAAMO Cc1cc(C[NH2+][C@H](C)c2cnn(-c3cccc4ccccc43)c2C)[nH]n1 ZINC000012300383 211336257 /nfs/dbraw/zinc/33/62/57/211336257.db2.gz KMZBDQWWQNVTGF-OAHLLOKOSA-N 1 1 345.450 4.216 50 0 EIAAMO COc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3CC(C)C)C2)cc1C ZINC000012246342 211329194 /nfs/dbraw/zinc/32/91/94/211329194.db2.gz LEMKJYBDROFACD-GOSISDBHSA-N 1 1 341.499 4.305 50 0 EIAAMO CCOc1cc(C[N@H+]2CCC[C@@H](Nc3cccc(F)c3)C2)ccc1O ZINC000012303916 211339929 /nfs/dbraw/zinc/33/99/29/211339929.db2.gz WGCSEDDJBJJBBJ-GOSISDBHSA-N 1 1 344.430 4.007 50 0 EIAAMO O=C(NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)c1cccs1 ZINC000012111444 211292074 /nfs/dbraw/zinc/29/20/74/211292074.db2.gz NQIABMFUBNSBTD-INIZCTEOSA-N 1 1 348.899 4.359 50 0 EIAAMO C[N@@H+](Cc1ccc(C(N)=O)cc1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000011373409 211214820 /nfs/dbraw/zinc/21/48/20/211214820.db2.gz WJCSORZZMVBSBA-NRFANRHFSA-N 1 1 348.421 4.146 50 0 EIAAMO COc1ccc(-c2nnc(C[NH2+][C@@H](c3ccc(C)cc3)C3CC3)o2)cc1 ZINC000009954658 211135741 /nfs/dbraw/zinc/13/57/41/211135741.db2.gz FUXWOADPMVCNDD-FQEVSTJZSA-N 1 1 349.434 4.295 50 0 EIAAMO O=C1Nc2ccc(Cl)cc2[C@H](c2ccccc2)[C@H]1[NH+]1CCCCC1 ZINC000009186457 211048647 /nfs/dbraw/zinc/04/86/47/211048647.db2.gz RFJOHFMXEIPMJX-RBUKOAKNSA-N 1 1 340.854 4.279 50 0 EIAAMO c1sc(C2CC2)nc1C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000095396764 218329267 /nfs/dbraw/zinc/32/92/67/218329267.db2.gz XDQQYSVFBZKDJR-SFHVURJKSA-N 1 1 342.464 4.033 50 0 EIAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)COC1CCC(C(C)(C)C)CC1 ZINC000005073590 210385562 /nfs/dbraw/zinc/38/55/62/210385562.db2.gz WPYJHCPYGNYTGC-WHBLYCTDSA-N 1 1 325.537 4.232 50 0 EIAAMO CC[N@@H+](Cc1ccccc1)Cc1cc(Br)ccc1OC ZINC000004988881 210351268 /nfs/dbraw/zinc/35/12/68/210351268.db2.gz GPWFHCWKMIRXIB-UHFFFAOYSA-N 1 1 334.257 4.480 50 0 EIAAMO Cc1nc(C2CC[NH+](Cc3ccc4c(c3)Cc3ccccc3-4)CC2)n[nH]1 ZINC000097425592 219023730 /nfs/dbraw/zinc/02/37/30/219023730.db2.gz DNNFUCXBAAAYLQ-UHFFFAOYSA-N 1 1 344.462 4.064 50 0 EIAAMO Cc1nnc(C2CC[NH+](Cc3ccc4c(c3)Cc3ccccc3-4)CC2)[nH]1 ZINC000097425592 219023734 /nfs/dbraw/zinc/02/37/34/219023734.db2.gz DNNFUCXBAAAYLQ-UHFFFAOYSA-N 1 1 344.462 4.064 50 0 EIAAMO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)c1c[nH]c2ccccc12 ZINC000004785698 210278882 /nfs/dbraw/zinc/27/88/82/210278882.db2.gz LKNIJKKUVKJWHH-UHFFFAOYSA-N 1 1 332.447 4.305 50 0 EIAAMO COc1ccc(CNc2c(-c3ccccc3O)[nH+]c3ccccn32)cc1 ZINC000004746136 210269239 /nfs/dbraw/zinc/26/92/39/210269239.db2.gz XDUIMXRFODCPGK-UHFFFAOYSA-N 1 1 345.402 4.328 50 0 EIAAMO CCCCOCc1nc([C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)no1 ZINC000299782314 258090627 /nfs/dbraw/zinc/09/06/27/258090627.db2.gz FSXDZGAHHPRUQE-KSZLIROESA-N 1 1 341.455 4.079 50 0 EIAAMO CC[N@@H+](Cc1ccc([C@H]2CCCCO2)s1)Cc1c(C)nn(C)c1C ZINC000215958269 258072049 /nfs/dbraw/zinc/07/20/49/258072049.db2.gz VKCHLEFHUKMDDL-GOSISDBHSA-N 1 1 347.528 4.362 50 0 EIAAMO CC[C@@H](C)[N@H+](Cc1ccc(C)cc1)C[C@H](O)COCc1ccccc1 ZINC000036101813 522098596 /nfs/dbraw/zinc/09/85/96/522098596.db2.gz HMFGKMQAYOSYSC-KNQAVFIVSA-N 1 1 341.495 4.173 50 0 EIAAMO Fc1ccc(F)c(CN2CC[N@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)c1 ZINC000239402699 526349674 /nfs/dbraw/zinc/34/96/74/526349674.db2.gz RBMDUBBCLOBBET-PMACEKPBSA-N 1 1 334.454 4.194 50 0 EIAAMO CCOc1ccc(-c2ccc(C[N@H+](C)[C@@H](C)c3ccncn3)o2)cc1 ZINC000216455529 535691685 /nfs/dbraw/zinc/69/16/85/535691685.db2.gz CTYGLOPCFMEHPH-HNNXBMFYSA-N 1 1 337.423 4.328 50 0 EIAAMO CCOc1ccc(-c2ccc(C[N@@H+](C)[C@@H](C)c3ccncn3)o2)cc1 ZINC000216455529 535691691 /nfs/dbraw/zinc/69/16/91/535691691.db2.gz CTYGLOPCFMEHPH-HNNXBMFYSA-N 1 1 337.423 4.328 50 0 EIAAMO COc1cc2c(cc1OC)[C@H](C)[N@@H+](Cc1cc(C)c(O)c(C)c1)CC2 ZINC000000166622 563249708 /nfs/dbraw/zinc/24/97/08/563249708.db2.gz GHYUFGSFFKSVCT-HNNXBMFYSA-N 1 1 341.451 4.146 50 0 EIAAMO Cc1ccc(C[N@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)s1 ZINC000012712330 563668705 /nfs/dbraw/zinc/66/87/05/563668705.db2.gz VJCRZIHTZXJEHK-LJQANCHMSA-N 1 1 333.472 4.013 50 0 EIAAMO C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1ccc2ccccc2c1 ZINC000012910443 563676810 /nfs/dbraw/zinc/67/68/10/563676810.db2.gz OJKYIUBXEWLHOU-UHFFFAOYSA-N 1 1 340.373 4.189 50 0 EIAAMO C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1ccc2ccccc2c1 ZINC000012910443 563676813 /nfs/dbraw/zinc/67/68/13/563676813.db2.gz OJKYIUBXEWLHOU-UHFFFAOYSA-N 1 1 340.373 4.189 50 0 EIAAMO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000012985251 563681992 /nfs/dbraw/zinc/68/19/92/563681992.db2.gz GUCJIVSKSFFESF-GUYCJALGSA-N 1 1 346.471 4.074 50 0 EIAAMO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000012985251 563681994 /nfs/dbraw/zinc/68/19/94/563681994.db2.gz GUCJIVSKSFFESF-GUYCJALGSA-N 1 1 346.471 4.074 50 0 EIAAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2ccccc2)cc1 ZINC000012984876 563682079 /nfs/dbraw/zinc/68/20/79/563682079.db2.gz OAEGFEMXXSRMRH-HXUWFJFHSA-N 1 1 338.451 4.251 50 0 EIAAMO C[C@H](NC(=O)C[N@H+](C)Cc1ccc(C(C)(C)C)cc1)c1cccs1 ZINC000012988567 563682282 /nfs/dbraw/zinc/68/22/82/563682282.db2.gz LUKYGHGIKKMXNU-HNNXBMFYSA-N 1 1 344.524 4.355 50 0 EIAAMO C[C@H](NC(=O)C[N@@H+](C)Cc1ccc(C(C)(C)C)cc1)c1cccs1 ZINC000012988567 563682287 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COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(F)ccc2OC)c(OC)c1 ZINC000015367108 563783947 /nfs/dbraw/zinc/78/39/47/563783947.db2.gz FEOJNZMEHAYNIL-GOSISDBHSA-N 1 1 345.414 4.189 50 0 EIAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(F)ccc2OC)c(OC)c1 ZINC000015367108 563783951 /nfs/dbraw/zinc/78/39/51/563783951.db2.gz FEOJNZMEHAYNIL-GOSISDBHSA-N 1 1 345.414 4.189 50 0 EIAAMO Cc1ccc(-c2nn(C[N@@H+]([C@@H](C)C(C)C)C3CC3)c(=S)[nH]2)cc1 ZINC000032932602 563843078 /nfs/dbraw/zinc/84/30/78/563843078.db2.gz LRIIFTQJJFJGSG-AWEZNQCLSA-N 1 1 330.501 4.383 50 0 EIAAMO Cc1ccc(-c2nn(C[N@H+]([C@@H](C)C(C)C)C3CC3)c(=S)[nH]2)cc1 ZINC000032932602 563843081 /nfs/dbraw/zinc/84/30/81/563843081.db2.gz LRIIFTQJJFJGSG-AWEZNQCLSA-N 1 1 330.501 4.383 50 0 EIAAMO C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1)c1cc2ccccc2o1 ZINC000025410415 563884365 /nfs/dbraw/zinc/88/43/65/563884365.db2.gz SQQDNUAZRAQYGL-HZPDHXFCSA-N 1 1 348.446 4.057 50 0 EIAAMO C[C@@H](NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1)c1cc2ccccc2o1 ZINC000025410415 563884367 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CCc1ccc(C[N@H+]2CC[C@@H](c3ccnc(-c4ccncc4)c3)C2)nc1 ZINC000065387360 563959380 /nfs/dbraw/zinc/95/93/80/563959380.db2.gz KVBLYPBQAPGCSX-HXUWFJFHSA-N 1 1 344.462 4.091 50 0 EIAAMO COc1cc(C[N@H+]2CCC[C@H](CCc3ccc(F)cc3)C2)ccc1O ZINC000071708110 563964782 /nfs/dbraw/zinc/96/47/82/563964782.db2.gz QCTMUAQSPBXDES-QGZVFWFLSA-N 1 1 343.442 4.385 50 0 EIAAMO Cc1c2cc(CNc3cc(N)[nH+]cn3)ccc2[nH]c1-c1ccc(F)cc1 ZINC000071763478 563965440 /nfs/dbraw/zinc/96/54/40/563965440.db2.gz YRTRJQJWADTSCF-UHFFFAOYSA-N 1 1 347.397 4.267 50 0 EIAAMO Cc1c2cc(CNc3cc(N)nc[nH+]3)ccc2[nH]c1-c1ccc(F)cc1 ZINC000071763478 563965441 /nfs/dbraw/zinc/96/54/41/563965441.db2.gz YRTRJQJWADTSCF-UHFFFAOYSA-N 1 1 347.397 4.267 50 0 EIAAMO CC(C)[C@@H]1CN(Cc2ccc3[nH]ccc3c2)CCC[N@H+]1CC1CC1 ZINC000071764836 563965505 /nfs/dbraw/zinc/96/55/05/563965505.db2.gz OMFZPDGVZFBBLT-NRFANRHFSA-N 1 1 325.500 4.110 50 0 EIAAMO C[C@H]([NH2+]Cc1ncc(-c2ccccc2)o1)c1ccc2c(c1)CCC(=O)N2 ZINC000097033125 563971205 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C[C@@H]1CCC[N@@H+](CC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)C1 ZINC000033312142 564036666 /nfs/dbraw/zinc/03/66/66/564036666.db2.gz LWZCNNLMZNVCBU-OAHLLOKOSA-N 1 1 349.906 4.316 50 0 EIAAMO COc1ccc(Br)cc1C[NH2+][C@H]1CCOc2ccccc21 ZINC000025357001 564037175 /nfs/dbraw/zinc/03/71/75/564037175.db2.gz WEILFKJMEHAYDB-HNNXBMFYSA-N 1 1 348.240 4.071 50 0 EIAAMO O[C@@]12CCCC[C@H]1C[N@H+](Cc1csc(Nc3ccccc3)n1)CC2 ZINC000225428758 564046634 /nfs/dbraw/zinc/04/66/34/564046634.db2.gz VVZSLQXGIPZXFA-HNAYVOBHSA-N 1 1 343.496 4.014 50 0 EIAAMO O[C@@]12CCCC[C@H]1C[N@@H+](Cc1csc(Nc3ccccc3)n1)CC2 ZINC000225428758 564046635 /nfs/dbraw/zinc/04/66/35/564046635.db2.gz VVZSLQXGIPZXFA-HNAYVOBHSA-N 1 1 343.496 4.014 50 0 EIAAMO CC(C)CC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000241287094 564051944 /nfs/dbraw/zinc/05/19/44/564051944.db2.gz LJVHNVYQMGPRIL-IVZBYUQCSA-N 1 1 348.918 4.416 50 0 EIAAMO Cc1ccc(-n2cccn2)c(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000015062967 564053209 /nfs/dbraw/zinc/05/32/09/564053209.db2.gz MKGPXSDMTYPBPO-NRFANRHFSA-N 1 1 346.478 4.257 50 0 EIAAMO Cc1nnc([C@@H](C)[N@@H+](C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)o1 ZINC000190360647 564056627 /nfs/dbraw/zinc/05/66/27/564056627.db2.gz SWVUHQBAEVOQNS-NXEZZACHSA-N 1 1 344.242 4.145 50 0 EIAAMO Cc1nnc([C@@H](C)[N@H+](C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)o1 ZINC000190360647 564056628 /nfs/dbraw/zinc/05/66/28/564056628.db2.gz SWVUHQBAEVOQNS-NXEZZACHSA-N 1 1 344.242 4.145 50 0 EIAAMO Cc1ccccc1NC(=O)[C@H](C)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000012550187 564059086 /nfs/dbraw/zinc/05/90/86/564059086.db2.gz ZGLJFYWBJCSVTF-KRWDZBQOSA-N 1 1 337.467 4.424 50 0 EIAAMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000120885294 564060525 /nfs/dbraw/zinc/06/05/25/564060525.db2.gz PBFIIQNKTHMLBE-UKRRQHHQSA-N 1 1 339.439 4.070 50 0 EIAAMO C[C@H](c1ccc(-c2ccc(C(F)(F)F)cn2)cc1)[NH+]1CCOCC1 ZINC000534676848 564061639 /nfs/dbraw/zinc/06/16/39/564061639.db2.gz AXXBNDRZTBMDNH-CYBMUJFWSA-N 1 1 336.357 4.161 50 0 EIAAMO Clc1cc(C[N@H+]2CC[C@H](c3ccccc3)C2)cc2c1OCCO2 ZINC000084525546 564068502 /nfs/dbraw/zinc/06/85/02/564068502.db2.gz QRXYHRNAZWUYMO-INIZCTEOSA-N 1 1 329.827 4.101 50 0 EIAAMO C[N@@H+]1[C@H](CC(=O)c2ccccc2)CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000005224245 564070567 /nfs/dbraw/zinc/07/05/67/564070567.db2.gz MXYUKLILVYORSK-PCCBWWKXSA-N 1 1 337.463 4.236 50 0 in-vitro EIAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)c3ccccc3F)n2)C1 ZINC000012791859 564070860 /nfs/dbraw/zinc/07/08/60/564070860.db2.gz FVWQKFXLNFINTP-BETUJISGSA-N 1 1 347.459 4.012 50 0 EIAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)c3ccccc3F)n2)C1 ZINC000012791859 564070861 /nfs/dbraw/zinc/07/08/61/564070861.db2.gz FVWQKFXLNFINTP-BETUJISGSA-N 1 1 347.459 4.012 50 0 EIAAMO Cc1ccc(C[N@@H+](C)C[C@@H](O)COc2ccc3ccccc3c2)cc1 ZINC000006083447 564073641 /nfs/dbraw/zinc/07/36/41/564073641.db2.gz QXFGNIAWGPBCAC-OAQYLSRUSA-N 1 1 335.447 4.020 50 0 EIAAMO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2)cc1OC ZINC000015837047 564076433 /nfs/dbraw/zinc/07/64/33/564076433.db2.gz XMBMKWMVSZWXSG-LJQANCHMSA-N 1 1 341.451 4.440 50 0 EIAAMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccccc3C)no2)cc1 ZINC000012911361 564077956 /nfs/dbraw/zinc/07/79/56/564077956.db2.gz XMVDIDQLAZHLKV-IBGZPJMESA-N 1 1 349.434 4.391 50 0 EIAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc(-c3ccccc3C)no2)cc1 ZINC000012911361 564077957 /nfs/dbraw/zinc/07/79/57/564077957.db2.gz XMVDIDQLAZHLKV-IBGZPJMESA-N 1 1 349.434 4.391 50 0 EIAAMO C[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1nccs1 ZINC000248742698 564078209 /nfs/dbraw/zinc/07/82/09/564078209.db2.gz AIDCRVKUMDYKPU-DSLXNQLJSA-N 1 1 341.524 4.032 50 0 EIAAMO C[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1nccs1 ZINC000248742714 564078222 /nfs/dbraw/zinc/07/82/22/564078222.db2.gz AIDCRVKUMDYKPU-OWYHZJEWSA-N 1 1 341.524 4.032 50 0 EIAAMO Cc1ccc(C)c([C@H](C)[NH2+][C@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 ZINC000012930706 564078758 /nfs/dbraw/zinc/07/87/58/564078758.db2.gz HKVMECSBZKQILW-YWZLYKJASA-N 1 1 340.442 4.113 50 0 EIAAMO Cc1nn(Cc2ccccc2)c(C)c1CNc1cc[nH+]cc1Cl ZINC000075103582 564080055 /nfs/dbraw/zinc/08/00/55/564080055.db2.gz GVDPIWAZMNQCFU-UHFFFAOYSA-N 1 1 326.831 4.209 50 0 EIAAMO O=C([C@H]([NH2+]Cc1cc2ccccc2[nH]1)c1ccccc1)N1CCCCC1 ZINC000075126193 564080416 /nfs/dbraw/zinc/08/04/16/564080416.db2.gz HKAVOAZNDGQVOU-OAQYLSRUSA-N 1 1 347.462 4.011 50 0 EIAAMO CC(C)=C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1(C)C ZINC000241738588 564088395 /nfs/dbraw/zinc/08/83/95/564088395.db2.gz QYUAOULWNVCYBT-GSEOLPGOSA-N 1 1 340.511 4.177 50 0 EIAAMO CC[C@H](C)[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccccc1C ZINC000169681832 564098242 /nfs/dbraw/zinc/09/82/42/564098242.db2.gz BTGWXGZFTMGJDO-AZUAARDMSA-N 1 1 327.468 4.035 50 0 EIAAMO c1ccc2nc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)ccc2c1 ZINC000007216118 564105818 /nfs/dbraw/zinc/10/58/18/564105818.db2.gz DKRFGJUMHHDHMM-FQEVSTJZSA-N 1 1 346.430 4.343 50 0 EIAAMO COc1c(C[NH2+][C@@H]2CCSc3ccc(F)cc32)c(C(C)C)nn1C ZINC000065474786 564106225 /nfs/dbraw/zinc/10/62/25/564106225.db2.gz MXDMDLQRUCTVDK-OAHLLOKOSA-N 1 1 349.475 4.018 50 0 EIAAMO CC[C@@H](C)C[N@@H+](C)Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000170625046 564110377 /nfs/dbraw/zinc/11/03/77/564110377.db2.gz BZFZSTHBWTXYTB-CYBMUJFWSA-N 1 1 341.480 4.130 50 0 EIAAMO Cc1c2ccccc2oc1[C@H]([NH2+]Cc1nnc2n1CCCC2)C(C)C ZINC000271707525 564116502 /nfs/dbraw/zinc/11/65/02/564116502.db2.gz NUVDNKLCFCKNCS-LJQANCHMSA-N 1 1 338.455 4.156 50 0 EIAAMO COc1ccc(C[N@H+]([C@H](C)C(=O)c2c[nH]c3ccccc23)C2CC2)cc1 ZINC000007662269 564121730 /nfs/dbraw/zinc/12/17/30/564121730.db2.gz AHRACTHGAOYJCC-OAHLLOKOSA-N 1 1 348.446 4.412 50 0 EIAAMO COc1ccc(C[N@@H+]([C@H](C)C(=O)c2c[nH]c3ccccc23)C2CC2)cc1 ZINC000007662269 564121731 /nfs/dbraw/zinc/12/17/31/564121731.db2.gz AHRACTHGAOYJCC-OAHLLOKOSA-N 1 1 348.446 4.412 50 0 EIAAMO COc1ccc([C@@H]2C[N@@H+](C)C[C@@H]2C(=O)c2ccc(F)cc2)cc1Cl ZINC000013142321 564136078 /nfs/dbraw/zinc/13/60/78/564136078.db2.gz GTKAIZJKINJBJB-HOTGVXAUSA-N 1 1 347.817 4.016 50 0 EIAAMO CC(C)[C@@H]1C[C@H](Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CS1 ZINC000331380851 564140558 /nfs/dbraw/zinc/14/05/58/564140558.db2.gz IQQKRJCOWHHCOJ-BZSNNMDCSA-N 1 1 347.528 4.128 50 0 EIAAMO CC[C@H]([NH2+]Cc1nccn1Cc1ccccc1)c1ccc2c(c1)CCO2 ZINC000095968681 564143268 /nfs/dbraw/zinc/14/32/68/564143268.db2.gz CTTJZUJIIWYKNM-FQEVSTJZSA-N 1 1 347.462 4.107 50 0 EIAAMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)/C=C\c2cccnc2)c1 ZINC000096256169 564146164 /nfs/dbraw/zinc/14/61/64/564146164.db2.gz VUJUESCPSBKMDL-HJWRWDBZSA-N 1 1 346.434 4.102 50 0 EIAAMO COC(=O)c1ccc(C[N@H+]2CCCCC[C@@H]2c2ccc(OC)cc2)o1 ZINC000029155789 564153166 /nfs/dbraw/zinc/15/31/66/564153166.db2.gz FRAOSMWBOUFOJT-GOSISDBHSA-N 1 1 343.423 4.192 50 0 EIAAMO C[C@H]([NH2+][C@H](C(=O)NC1CC1)c1ccccc1)c1ccc(Cl)cc1 ZINC000057503943 564154559 /nfs/dbraw/zinc/15/45/59/564154559.db2.gz YCJRDYBPRZZQLJ-UGSOOPFHSA-N 1 1 328.843 4.011 50 0 EIAAMO CC[C@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(Cl)cc1 ZINC000057553900 564154925 /nfs/dbraw/zinc/15/49/25/564154925.db2.gz XCIZRECISWQTFH-RBUKOAKNSA-N 1 1 342.870 4.401 50 0 EIAAMO C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[N@@H+]1CCc2ccccc2C1 ZINC000003283298 564156932 /nfs/dbraw/zinc/15/69/32/564156932.db2.gz CVSISZNCFRDVQO-LBPRGKRZSA-N 1 1 349.261 4.379 50 0 EIAAMO C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[N@H+]1CCc2ccccc2C1 ZINC000003283298 564156933 /nfs/dbraw/zinc/15/69/33/564156933.db2.gz CVSISZNCFRDVQO-LBPRGKRZSA-N 1 1 349.261 4.379 50 0 EIAAMO COc1ccc(OC)c(C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)c1 ZINC000030669745 564157315 /nfs/dbraw/zinc/15/73/15/564157315.db2.gz ISWIOSGABNWABB-UHFFFAOYSA-N 1 1 341.382 4.393 50 0 EIAAMO Cc1sc2nc(C[NH+]3CCCC3)nc(NC3CCCC3)c2c1C ZINC000008192044 564163484 /nfs/dbraw/zinc/16/34/84/564163484.db2.gz DPZOUQIZUIVVPS-UHFFFAOYSA-N 1 1 330.501 4.258 50 0 EIAAMO C[C@H](C(=O)Nc1ccccc1F)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000008226132 564163606 /nfs/dbraw/zinc/16/36/06/564163606.db2.gz HDJYGLSVYROHOK-OAHLLOKOSA-N 1 1 336.410 4.438 50 0 EIAAMO C[C@H](C(=O)Nc1ccccc1F)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000008226132 564163607 /nfs/dbraw/zinc/16/36/07/564163607.db2.gz HDJYGLSVYROHOK-OAHLLOKOSA-N 1 1 336.410 4.438 50 0 EIAAMO CCC[N@@H+]1Cc2cccc(NC(=O)c3ccccc3SC)c2C1 ZINC000171309547 564163841 /nfs/dbraw/zinc/16/38/41/564163841.db2.gz KPKQVVCUNALDJT-UHFFFAOYSA-N 1 1 326.465 4.386 50 0 EIAAMO CCC[N@H+]1Cc2cccc(NC(=O)c3ccccc3SC)c2C1 ZINC000171309547 564163842 /nfs/dbraw/zinc/16/38/42/564163842.db2.gz KPKQVVCUNALDJT-UHFFFAOYSA-N 1 1 326.465 4.386 50 0 EIAAMO CCc1ccc2[nH]c(C)c(C[N@H+]3CCc4ccccc4C3)c(=O)c2c1 ZINC000008571851 564165716 /nfs/dbraw/zinc/16/57/16/564165716.db2.gz QEMXHCCDEXOTRI-UHFFFAOYSA-N 1 1 332.447 4.370 50 0 EIAAMO Cc1[nH]c2ccc(Br)cc2c(=O)c1C[N@@H+]1CCC[C@H](C)C1 ZINC000008714159 564166678 /nfs/dbraw/zinc/16/66/78/564166678.db2.gz SOAHYGFICXUGFS-NSHDSACASA-N 1 1 349.272 4.243 50 0 EIAAMO COc1ccc(-c2nnc(C[N@H+]3CC=C(c4ccccc4)CC3)o2)cc1 ZINC000008718823 564166879 /nfs/dbraw/zinc/16/68/79/564166879.db2.gz OKNNGLOAHCHHCW-UHFFFAOYSA-N 1 1 347.418 4.035 50 0 EIAAMO COc1ccc(-c2nnc(C[N@@H+]3CC=C(c4ccccc4)CC3)o2)cc1 ZINC000008718823 564166880 /nfs/dbraw/zinc/16/68/80/564166880.db2.gz OKNNGLOAHCHHCW-UHFFFAOYSA-N 1 1 347.418 4.035 50 0 EIAAMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)no1 ZINC000071876678 564176293 /nfs/dbraw/zinc/17/62/93/564176293.db2.gz BQROWEDMRDIXPZ-LJQANCHMSA-N 1 1 336.439 4.029 50 0 EIAAMO Cc1cnc([C@@H]2CC[N@@H+](Cc3cccc(F)c3)C2)n1Cc1ccccc1 ZINC000581815875 1021884725 /nfs/dbraw/zinc/88/47/25/1021884725.db2.gz JURKRUWWOLTFRX-HXUWFJFHSA-N 1 1 349.453 4.368 50 0 EIAAMO C[N@H+](Cc1ccc2c[nH]nc2c1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000660367358 1023616311 /nfs/dbraw/zinc/61/63/11/1023616311.db2.gz LCPIWUWJZJZAOE-OAQYLSRUSA-N 1 1 333.435 4.033 50 0 EIAAMO C[N@@H+](Cc1ccc2c[nH]nc2c1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000660367358 1023616314 /nfs/dbraw/zinc/61/63/14/1023616314.db2.gz LCPIWUWJZJZAOE-OAQYLSRUSA-N 1 1 333.435 4.033 50 0 EIAAMO Cc1ccc(C[N@H+]2CC[C@H](n3c(C)cnc3-c3cccnc3)C2)s1 ZINC000575550294 1030520620 /nfs/dbraw/zinc/52/06/20/1030520620.db2.gz UJQVGIHWUQZJRG-KRWDZBQOSA-N 1 1 338.480 4.070 50 0 EIAAMO CC[NH+](CC)Cc1nc(-c2ccc(OCc3ccccc3)cc2)no1 ZINC000057427705 1037061137 /nfs/dbraw/zinc/06/11/37/1037061137.db2.gz QLZXUZVOYBHVPI-UHFFFAOYSA-N 1 1 337.423 4.157 50 0 EIAAMO CCCC[N@@H+](C)C1CCN(C(=S)Nc2ccc(C)cc2C)CC1 ZINC000003061120 1043169373 /nfs/dbraw/zinc/16/93/73/1043169373.db2.gz SNZBJAZOVSRNHH-UHFFFAOYSA-N 1 1 333.545 4.197 50 0 EIAAMO COCc1ccc(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4)ncc32)o1 ZINC000012587384 1044905389 /nfs/dbraw/zinc/90/53/89/1044905389.db2.gz DVFJODWMIYROFB-LJQANCHMSA-N 1 1 349.434 4.050 50 0 EIAAMO Cc1cnc(C2CC2)n1[C@H]1CC[N@H+](Cc2cn(C)c3ccccc23)C1 ZINC000575548724 1045258133 /nfs/dbraw/zinc/25/81/33/1045258133.db2.gz JAURXPAPCACSER-SFHVURJKSA-N 1 1 334.467 4.008 50 0 EIAAMO Clc1ccncc1C[NH2+]C[C@@H](c1ccccc1)N1CCCCCC1 ZINC000952863899 1049680791 /nfs/dbraw/zinc/68/07/91/1049680791.db2.gz 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COc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2cccc(C)c2C)c1 ZINC000010225799 211155728 /nfs/dbraw/zinc/15/57/28/211155728.db2.gz ILAXNRVQDZGWFS-HXUWFJFHSA-N 1 1 338.451 4.088 50 0 EIAAMO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000093278228 218210464 /nfs/dbraw/zinc/21/04/64/218210464.db2.gz LCUYZAABGBJMNH-QGZVFWFLSA-N 1 1 340.492 4.002 50 0 EIAAMO Fc1ccccc1C[N@H+]1CCC[C@@H](c2nccn2CC2CCC2)C1 ZINC000095366437 218299515 /nfs/dbraw/zinc/29/95/15/218299515.db2.gz MJEGEYCIPOSDFE-GOSISDBHSA-N 1 1 327.447 4.202 50 0 EIAAMO Cc1ccc2c(c1)[C@H]([NH2+]Cc1nccn1Cc1ccccc1)CCCO2 ZINC000095423418 218366402 /nfs/dbraw/zinc/36/64/02/218366402.db2.gz KACRKBWRFKVNKX-HXUWFJFHSA-N 1 1 347.462 4.243 50 0 EIAAMO [NH3+][C@@H](Cc1ccccc1)c1nnc(SCc2ccc(Cl)cc2)o1 ZINC000005046828 210373841 /nfs/dbraw/zinc/37/38/41/210373841.db2.gz RTGUCRXOIDMIDB-HNNXBMFYSA-N 1 1 345.855 4.258 50 0 EIAAMO OCC[N@@H+](Cc1ccccc1)Cc1cccc(OCc2ccccc2)c1 ZINC000004988190 210350817 /nfs/dbraw/zinc/35/08/17/210350817.db2.gz 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C[C@@H]1CCC[C@H](C)[N@@H+]1CCC[C@@](O)(c1ccccc1)c1cccnc1 ZINC000029550747 564153724 /nfs/dbraw/zinc/15/37/24/564153724.db2.gz NPQAWCNDVWTXAM-XQBPLPMBSA-N 1 1 338.495 4.361 50 0 EIAAMO CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+](C)Cc1ccccc1 ZINC000057439232 564154270 /nfs/dbraw/zinc/15/42/70/564154270.db2.gz DJGXFDVNORQJGE-UHFFFAOYSA-N 1 1 348.446 4.352 50 0 EIAAMO CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+](C)Cc1ccccc1 ZINC000057439232 564154271 /nfs/dbraw/zinc/15/42/71/564154271.db2.gz DJGXFDVNORQJGE-UHFFFAOYSA-N 1 1 348.446 4.352 50 0 EIAAMO CC(C)[C@@H]([NH2+][C@H](C(=O)NC1CC1)c1ccccc1)c1ccc(F)cc1 ZINC000057452437 564154333 /nfs/dbraw/zinc/15/43/33/564154333.db2.gz XBPBNVRLQHBGRH-UXHICEINSA-N 1 1 340.442 4.132 50 0 EIAAMO CC[C@H](C)[N@@H+](C)C1CCN(C(=S)Nc2c(C)cccc2C)CC1 ZINC000003060156 564154813 /nfs/dbraw/zinc/15/48/13/564154813.db2.gz JQADBOOPNKUZHJ-INIZCTEOSA-N 1 1 333.545 4.195 50 0 EIAAMO CC[C@H](C)[N@@H+](C)C1CCN(C(=S)Nc2ccc(C)c(C)c2)CC1 ZINC000003060040 564154864 /nfs/dbraw/zinc/15/48/64/564154864.db2.gz OYWFRNCYBOXLPP-INIZCTEOSA-N 1 1 333.545 4.195 50 0 EIAAMO COc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000008127131 564162842 /nfs/dbraw/zinc/16/28/42/564162842.db2.gz SQLVZRGBUYALHW-INIZCTEOSA-N 1 1 348.446 4.307 50 0 EIAAMO C[C@H](NC(=O)C[N@H+](C)Cc1ccc2ccccc2c1)c1ccccc1 ZINC000008127464 564162926 /nfs/dbraw/zinc/16/29/26/564162926.db2.gz PEKLXDGXGKPRLA-KRWDZBQOSA-N 1 1 332.447 4.149 50 0 EIAAMO C[C@H](NC(=O)C[N@@H+](C)Cc1ccc2ccccc2c1)c1ccccc1 ZINC000008127464 564162927 /nfs/dbraw/zinc/16/29/27/564162927.db2.gz PEKLXDGXGKPRLA-KRWDZBQOSA-N 1 1 332.447 4.149 50 0 EIAAMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc3ccccc3c2)cc1 ZINC000008316665 564164243 /nfs/dbraw/zinc/16/42/43/564164243.db2.gz LYPBFEGZOSHYCA-INIZCTEOSA-N 1 1 348.446 4.307 50 0 EIAAMO c1ccc(SCCOCC[N@H+]2CCCC[C@H]2c2cccnc2)cc1 ZINC000008744434 564167171 /nfs/dbraw/zinc/16/71/71/564167171.db2.gz UIMVARSOZJNXHS-FQEVSTJZSA-N 1 1 342.508 4.418 50 0 biogenic EIAAMO CC(C)n1cc([C@H](C)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cn1 ZINC000245289841 564168988 /nfs/dbraw/zinc/16/89/88/564168988.db2.gz FMSNPGKCZILYJI-FRQCXROJSA-N 1 1 346.544 4.259 50 0 EIAAMO CC(C)n1cc([C@H](C)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cn1 ZINC000245289841 564168989 /nfs/dbraw/zinc/16/89/89/564168989.db2.gz FMSNPGKCZILYJI-FRQCXROJSA-N 1 1 346.544 4.259 50 0 EIAAMO CCC[C@H](C)[N@H+]1Cc2cccc(NC(=O)Cc3csc(C)n3)c2C1 ZINC000069736838 564171761 /nfs/dbraw/zinc/17/17/61/564171761.db2.gz PIJQKSYQGLYXIN-ZDUSSCGKSA-N 1 1 343.496 4.137 50 0 EIAAMO C[N@@H+](Cc1cc(-c2ccco2)on1)[C@H]1CCCN(c2ccccc2)C1 ZINC000177794862 1021706783 /nfs/dbraw/zinc/70/67/83/1021706783.db2.gz UNMIUXRVZJUSKW-SFHVURJKSA-N 1 1 337.423 4.035 50 0 EIAAMO CC(C)=CCN1CC[N@@H+](CCC2=C(C)CCCC2(C)C)C[C@@H]1CCO ZINC000019794800 1023644534 /nfs/dbraw/zinc/64/45/34/1023644534.db2.gz KBOQGQJBPSLCKG-FQEVSTJZSA-N 1 1 348.575 4.238 50 0 EIAAMO Cc1cnc(-c2cccnc2)n1[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000257181311 1036256955 /nfs/dbraw/zinc/25/69/55/1036256955.db2.gz FMKITUOSJPIVQX-HXUWFJFHSA-N 1 1 338.499 4.471 50 0 EIAAMO c1csc(CN2CC[C@]3(C2)CCC[N@H+](CCc2ccccc2)C3)c1 ZINC000012471425 1043462272 /nfs/dbraw/zinc/46/22/72/1043462272.db2.gz KSTJRJDSRFNGQR-OAQYLSRUSA-N 1 1 340.536 4.279 50 0 EIAAMO c1sc(CN2CCC[C@@H]2c2cccnc2)cc1C[NH+]1CCCCC1 ZINC000820414279 1043854932 /nfs/dbraw/zinc/85/49/32/1043854932.db2.gz ZZWOYYBUIOKKNV-HXUWFJFHSA-N 1 1 341.524 4.466 50 0 EIAAMO C[C@@H](c1ccccn1)[N@@H+](C)C1CCN(c2cccc(Cl)c2)CC1 ZINC000952970659 1049684837 /nfs/dbraw/zinc/68/48/37/1049684837.db2.gz FDFVIWSPNJQZHY-HNNXBMFYSA-N 1 1 329.875 4.397 50 0 EIAAMO CSc1ncc(C[N@H+]2CCCC[C@H]2CCc2cccs2)cn1 ZINC000952968588 1049688147 /nfs/dbraw/zinc/68/81/47/1049688147.db2.gz FNGYAFNPJRYPHF-HNNXBMFYSA-N 1 1 333.526 4.247 50 0 EIAAMO CCOc1ccccc1C[N@H+]1CC[C@@H](Cc2ncc(C)n2C(C)C)C1 ZINC000581806485 1060014052 /nfs/dbraw/zinc/01/40/52/1060014052.db2.gz QPJCQFHWYHQQOE-SFHVURJKSA-N 1 1 341.499 4.236 50 0 EIAAMO Cc1c[nH+]c(CCNC(=O)c2cccs2)n1C1CCCCCC1 ZINC000581815509 1060020703 /nfs/dbraw/zinc/02/07/03/1060020703.db2.gz LMSBJUMYIGCXJD-UHFFFAOYSA-N 1 1 331.485 4.121 50 0 EIAAMO CCCn1c(C)c[nH+]c1C[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000581816853 1060024536 /nfs/dbraw/zinc/02/45/36/1060024536.db2.gz PIWNGTRXFDKIAG-QGZVFWFLSA-N 1 1 340.471 4.088 50 0 EIAAMO CC(=O)Oc1c(C)cc(C[N@H+]2CCC[C@H]2c2c(C)noc2C)cc1C ZINC000055037024 214266638 /nfs/dbraw/zinc/26/66/38/214266638.db2.gz UXXXSRPVQPZZPV-SFHVURJKSA-N 1 1 342.439 4.171 50 0 EIAAMO CC(C)c1csc(C[N@@H+]2CCC[C@H](Nc3ccc(F)cc3)C2)n1 ZINC000055182502 214284605 /nfs/dbraw/zinc/28/46/05/214284605.db2.gz ZRZOPZUKDHLDBJ-INIZCTEOSA-N 1 1 333.476 4.482 50 0 EIAAMO CC(C)c1csc(C[N@H+]2CCC[C@H](Nc3ccc(F)cc3)C2)n1 ZINC000055182502 214284608 /nfs/dbraw/zinc/28/46/08/214284608.db2.gz ZRZOPZUKDHLDBJ-INIZCTEOSA-N 1 1 333.476 4.482 50 0 EIAAMO Cc1nccn1CC[C@@H]1CCCC[N@H+]1Cc1c(C)ccc2ncccc21 ZINC000097822927 219058778 /nfs/dbraw/zinc/05/87/78/219058778.db2.gz FZIHAERSFBXDIM-IBGZPJMESA-N 1 1 348.494 4.493 50 0 EIAAMO CCC[C@H](O)C[N@H+](Cc1cccn1Cc1ccccc1C)CC(C)C ZINC000004507779 210209169 /nfs/dbraw/zinc/20/91/69/210209169.db2.gz JLDAJWGHDKOWMU-QFIPXVFZSA-N 1 1 342.527 4.464 50 0 EIAAMO O=C(NC1CCCCC1)[C@H]1CCC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000065965520 215002475 /nfs/dbraw/zinc/00/24/75/215002475.db2.gz BQAPKQILMDHOEJ-RXVVDRJESA-N 1 1 340.511 4.225 50 0 EIAAMO CCCC[N@@H+](C)C1CCN(C(=S)Nc2cccc(Cl)c2)CC1 ZINC000003588693 210058260 /nfs/dbraw/zinc/05/82/60/210058260.db2.gz MFSDZXMKDAVEBA-UHFFFAOYSA-N 1 1 339.936 4.233 50 0 EIAAMO CC(C)([NH2+]Cc1csc(-c2ncccn2)n1)c1ccc(Cl)cc1 ZINC000067011201 215104506 /nfs/dbraw/zinc/10/45/06/215104506.db2.gz BXSCQQONJDZFLJ-UHFFFAOYSA-N 1 1 344.871 4.278 50 0 EIAAMO C[N@@H+](CC(=O)Nc1ccc(SC(F)F)cc1)C1CCCCC1 ZINC000003348136 210014326 /nfs/dbraw/zinc/01/43/26/210014326.db2.gz AFOJHGWQAFYEGO-UHFFFAOYSA-N 1 1 328.428 4.204 50 0 EIAAMO CCc1[nH+]ccn1Cc1nc(-c2cc(C)c(OC)cc2C)oc1C ZINC000067472763 215150931 /nfs/dbraw/zinc/15/09/31/215150931.db2.gz YINHULANUWMHDK-UHFFFAOYSA-N 1 1 325.412 4.083 50 0 EIAAMO Cc1ccsc1-c1nc(CN2CC([N@@H+]3CCCC[C@H]3C)C2)c(C)o1 ZINC000067714288 215192397 /nfs/dbraw/zinc/19/23/97/215192397.db2.gz WHSAUZISIVEXIX-CQSZACIVSA-N 1 1 345.512 4.079 50 0 EIAAMO COc1cc(Oc2ccccc2CO)cc(Cl)c1C[NH+]1CCCC1 ZINC000067756487 215205004 /nfs/dbraw/zinc/20/50/04/215205004.db2.gz VXJVFQMVTJFHFB-UHFFFAOYSA-N 1 1 347.842 4.229 50 0 EIAAMO Cc1ccsc1C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC(C)(C)C)C2 ZINC000067788668 215214352 /nfs/dbraw/zinc/21/43/52/215214352.db2.gz OCXMFVKRFUDQDQ-HXUWFJFHSA-N 1 1 348.556 4.307 50 0 EIAAMO Cc1ccsc1-c1nc(C[NH+]2CCC(C(C)(C)O)CC2)c(C)o1 ZINC000067880489 215239829 /nfs/dbraw/zinc/23/98/29/215239829.db2.gz HXEPEJQPDHDDBW-UHFFFAOYSA-N 1 1 334.485 4.003 50 0 EIAAMO CCc1ccc(C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)o1 ZINC000067886622 215242017 /nfs/dbraw/zinc/24/20/17/215242017.db2.gz VQXSREPJBWVPGC-GFCCVEGCSA-N 1 1 345.393 4.465 50 0 EIAAMO Cc1cccc(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)c1C ZINC000037136787 213134491 /nfs/dbraw/zinc/13/44/91/213134491.db2.gz LFLJFLJMGXXWLW-UHFFFAOYSA-N 1 1 343.496 4.388 50 0 EIAAMO Cc1ccc(C)c(C[N@H+](C[C@H](O)COCc2ccccc2)C(C)C)c1 ZINC000036103847 213069483 /nfs/dbraw/zinc/06/94/83/213069483.db2.gz SGTZDTLDMSZAKL-QFIPXVFZSA-N 1 1 341.495 4.092 50 0 EIAAMO O[C@H](Cc1ccccc1)C[N@@H+](Cc1ccccc1)Cc1ccccc1F ZINC000036103029 213067972 /nfs/dbraw/zinc/06/79/72/213067972.db2.gz MSPIYUMCKYKYQR-JOCHJYFZSA-N 1 1 349.449 4.432 50 0 EIAAMO CC(C)[N@H+](Cc1cccs1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036103387 213067789 /nfs/dbraw/zinc/06/77/89/213067789.db2.gz QEWOEKCUKOSIRA-HNNXBMFYSA-N 1 1 339.888 4.052 50 0 EIAAMO CC[C@H](C)[N@H+](Cc1ccc(C)cc1)C[C@H](O)COc1ccccc1C ZINC000036101840 213067807 /nfs/dbraw/zinc/06/78/07/213067807.db2.gz WCNOVDSGSGRTIE-FPOVZHCZSA-N 1 1 341.495 4.344 50 0 EIAAMO CCC[N@H+](Cc1cc(C)ccc1C)C[C@H](O)COc1ccccc1C ZINC000036097439 213065760 /nfs/dbraw/zinc/06/57/60/213065760.db2.gz IUJFQBZVCMGOOI-NRFANRHFSA-N 1 1 341.495 4.264 50 0 EIAAMO Cc1ccc(C[N@@H+](CCC(C)C)C[C@H](O)COc2ccccc2C)o1 ZINC000036031397 213056470 /nfs/dbraw/zinc/05/64/70/213056470.db2.gz NJJYBIXMWKZRIW-IBGZPJMESA-N 1 1 345.483 4.184 50 0 EIAAMO CC[C@H](c1ccccc1)[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000072074099 216003841 /nfs/dbraw/zinc/00/38/41/216003841.db2.gz XBSCFOZRGUUVPW-HXUWFJFHSA-N 1 1 338.451 4.344 50 0 EIAAMO COc1cc(F)c(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1OC ZINC000072166776 216055774 /nfs/dbraw/zinc/05/57/74/216055774.db2.gz WYJLJZKUFFVKID-QGZVFWFLSA-N 1 1 333.378 4.319 50 0 EIAAMO COc1cc(F)c(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1OC ZINC000072166776 216055778 /nfs/dbraw/zinc/05/57/78/216055778.db2.gz WYJLJZKUFFVKID-QGZVFWFLSA-N 1 1 333.378 4.319 50 0 EIAAMO COc1ccc(-n2cccn2)c(C[N@H+]2CCCC[C@@H]2c2ccccn2)c1 ZINC000072168636 216059350 /nfs/dbraw/zinc/05/93/50/216059350.db2.gz IIPFFOSTCSZJHO-OAQYLSRUSA-N 1 1 348.450 4.003 50 0 EIAAMO Cc1cc([C@@H]2CCCC[N@@H+]2Cc2ccc(CCC(C)(C)O)cc2)no1 ZINC000072407268 216198672 /nfs/dbraw/zinc/19/86/72/216198672.db2.gz KISMLFZUSWHZRG-FQEVSTJZSA-N 1 1 342.483 4.414 50 0 EIAAMO Cc1cc([C@@H]2CCCC[N@H+]2Cc2ccc(CCC(C)(C)O)cc2)no1 ZINC000072407268 216198676 /nfs/dbraw/zinc/19/86/76/216198676.db2.gz KISMLFZUSWHZRG-FQEVSTJZSA-N 1 1 342.483 4.414 50 0 EIAAMO O=C1CC[C@@]2(CCC[N@H+](CCCCCF)C2)CN1Cc1ccccc1 ZINC000072412527 216205036 /nfs/dbraw/zinc/20/50/36/216205036.db2.gz DXLSJLKTZOAYKV-OAQYLSRUSA-N 1 1 346.490 4.031 50 0 EIAAMO O=C(Cc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000072447792 216237595 /nfs/dbraw/zinc/23/75/95/216237595.db2.gz UEQXIIHLXOAPPX-FQEVSTJZSA-N 1 1 332.447 4.192 50 0 EIAAMO Clc1cccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1Cl ZINC000022130764 212278262 /nfs/dbraw/zinc/27/82/62/212278262.db2.gz LRTAEWIIYOUKFW-MRXNPFEDSA-N 1 1 335.278 4.358 50 0 EIAAMO Clc1cccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1Cl ZINC000022130764 212278264 /nfs/dbraw/zinc/27/82/64/212278264.db2.gz LRTAEWIIYOUKFW-MRXNPFEDSA-N 1 1 335.278 4.358 50 0 EIAAMO COc1cc(C[N@@H+](C)CCc2ccncc2)c(Cl)cc1OC(C)C ZINC000215102884 241105207 /nfs/dbraw/zinc/10/52/07/241105207.db2.gz ZGPQXMSITHNHSS-UHFFFAOYSA-N 1 1 348.874 4.205 50 0 EIAAMO CN(Cc1ccc([C@@H]2CCCCO2)o1)Cc1ccc2c(c1)C[N@H+](C)C2 ZINC000216382307 241185901 /nfs/dbraw/zinc/18/59/01/241185901.db2.gz GFWYFHQUZADSDD-FQEVSTJZSA-N 1 1 340.467 4.099 50 0 EIAAMO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1Cl)[NH2+]CC2 ZINC000022018359 212271503 /nfs/dbraw/zinc/27/15/03/212271503.db2.gz WDYIKIZWXGOOHA-QGZVFWFLSA-N 1 1 338.234 4.246 50 0 EIAAMO COc1cc(C[N@H+]2CCC[C@H]2c2c(C)noc2C)ccc1OC(C)C ZINC000021720286 212244314 /nfs/dbraw/zinc/24/43/14/212244314.db2.gz XPXVJVJNTWZUBM-KRWDZBQOSA-N 1 1 344.455 4.424 50 0 EIAAMO OC[C@@H]1CCCC[N@H+]1Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000020599444 212150939 /nfs/dbraw/zinc/15/09/39/212150939.db2.gz NIXRKYWDBAUDGD-NRFANRHFSA-N 1 1 347.462 4.091 50 0 EIAAMO Cc1cccc(C)c1NC(=S)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000020130345 212103974 /nfs/dbraw/zinc/10/39/74/212103974.db2.gz 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C[C@H]1CCCC[N@H+]1CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000014193807 563748898 /nfs/dbraw/zinc/74/88/98/563748898.db2.gz UQQJOQYYLGMZDC-LBPRGKRZSA-N 1 1 349.887 4.276 50 0 EIAAMO C[C@@H]([NH2+][C@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccc2c(c1)CCCC2 ZINC000016694736 563821095 /nfs/dbraw/zinc/82/10/95/563821095.db2.gz UOUNBQFJJVKJJQ-HUUCEWRRSA-N 1 1 347.462 4.214 50 0 EIAAMO C[N@@H+](Cc1ccc(C(C)(C)C)cc1)CN1C(=O)C[C@H]1c1ccccc1 ZINC000032926943 563836440 /nfs/dbraw/zinc/83/64/40/563836440.db2.gz NWJLNVFAXMBHQY-FQEVSTJZSA-N 1 1 336.479 4.347 50 0 EIAAMO C[N@H+](Cc1ccc(C(C)(C)C)cc1)CN1C(=O)C[C@H]1c1ccccc1 ZINC000032926943 563836443 /nfs/dbraw/zinc/83/64/43/563836443.db2.gz NWJLNVFAXMBHQY-FQEVSTJZSA-N 1 1 336.479 4.347 50 0 EIAAMO Cc1nn(C)c(C)c1[C@H](C)[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000072274492 563902609 /nfs/dbraw/zinc/90/26/09/563902609.db2.gz UARKUBBMAPKRPY-JTQLQIEISA-N 1 1 332.498 4.073 50 0 EIAAMO COc1ccc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)cc1SC(F)(F)F ZINC000072304871 563914508 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Cn1cc(-c2nc(C[N@H+](C)[C@@H]3CCCc4ccccc43)cs2)cn1 ZINC000047265140 564025993 /nfs/dbraw/zinc/02/59/93/564025993.db2.gz AMSDPQPFINEGMB-GOSISDBHSA-N 1 1 338.480 4.053 50 0 EIAAMO Cn1cc(-c2nc(C[N@@H+](C)[C@@H]3CCCc4ccccc43)cs2)cn1 ZINC000047265140 564025994 /nfs/dbraw/zinc/02/59/94/564025994.db2.gz AMSDPQPFINEGMB-GOSISDBHSA-N 1 1 338.480 4.053 50 0 EIAAMO CC[N@H+](Cc1nnc(-c2c(C)onc2-c2ccccc2)o1)CC(C)C ZINC000046064338 564029409 /nfs/dbraw/zinc/02/94/09/564029409.db2.gz JIKRYGZUQJHYEE-UHFFFAOYSA-N 1 1 340.427 4.178 50 0 EIAAMO O[C@H](C[N@@H+](Cc1cccs1)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000048252596 564030457 /nfs/dbraw/zinc/03/04/57/564030457.db2.gz AJBZTCLRXUIIOQ-MRXNPFEDSA-N 1 1 341.398 4.465 50 0 EIAAMO OCC[N@@H+](Cc1ccccc1)Cc1ccc(OCc2ccccc2)cc1 ZINC000000819192 564035225 /nfs/dbraw/zinc/03/52/25/564035225.db2.gz RPCZLRPLZSXEGO-UHFFFAOYSA-N 1 1 347.458 4.260 50 0 EIAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccc(F)cc1Cl ZINC000026298941 564039689 /nfs/dbraw/zinc/03/96/89/564039689.db2.gz 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0 EIAAMO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+](C)Cc1cccc(F)c1 ZINC000006559344 564092037 /nfs/dbraw/zinc/09/20/37/564092037.db2.gz IJAHLAXKZZBAGP-NSHDSACASA-N 1 1 338.785 4.077 50 0 EIAAMO CC[N@@H+](C)C[C@H](C)CNC(=O)c1ccc(-c2cc(F)ccc2C)cc1 ZINC000426394770 564093590 /nfs/dbraw/zinc/09/35/90/564093590.db2.gz YIWNHFAFBPVKQP-OAHLLOKOSA-N 1 1 342.458 4.119 50 0 EIAAMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1ccc(-c2ccc3occc3c2)cc1 ZINC000426684479 564094395 /nfs/dbraw/zinc/09/43/95/564094395.db2.gz NASUYZWTZOFIRP-INIZCTEOSA-N 1 1 348.446 4.124 50 0 EIAAMO CC[C@@H](C)[N@H+](Cc1ccc(C)s1)C[C@H](O)COc1ccccc1 ZINC000036101231 564096181 /nfs/dbraw/zinc/09/61/81/564096181.db2.gz BCEFFUNBHPCBGO-WBVHZDCISA-N 1 1 333.497 4.097 50 0 EIAAMO CC[C@@H](C)[N@H+](Cc1ccc(C)cc1)C[C@@H](O)COc1ccccc1C ZINC000169681683 564098220 /nfs/dbraw/zinc/09/82/20/564098220.db2.gz WCNOVDSGSGRTIE-TZIWHRDSSA-N 1 1 341.495 4.344 50 0 EIAAMO Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2nc(-c3ccncc3)no2)cc1 ZINC000065286104 564104410 /nfs/dbraw/zinc/10/44/10/564104410.db2.gz ICRDGNGLGDTYRT-GOSISDBHSA-N 1 1 334.423 4.167 50 0 EIAAMO Cc1ccc(C[N@H+]2CCCC[C@@H]2c2nc(-c3ccncc3)no2)cc1 ZINC000065286104 564104411 /nfs/dbraw/zinc/10/44/11/564104411.db2.gz ICRDGNGLGDTYRT-GOSISDBHSA-N 1 1 334.423 4.167 50 0 EIAAMO C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000007384229 564107617 /nfs/dbraw/zinc/10/76/17/564107617.db2.gz RIAHUMHFOFRFFL-MSOLQXFVSA-N 1 1 336.479 4.013 50 0 EIAAMO Cc1ccccc1[C@H]1CCCN1C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000170597812 564109181 /nfs/dbraw/zinc/10/91/81/564109181.db2.gz BOLDPZYHKDUMPI-JOCHJYFZSA-N 1 1 348.490 4.107 50 0 EIAAMO CC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@H]2c2ccccc2)cc1 ZINC000170624922 564110409 /nfs/dbraw/zinc/11/04/09/564110409.db2.gz BRDSFTLHQIRNKE-FQEVSTJZSA-N 1 1 336.435 4.055 50 0 EIAAMO Cc1nnc([C@H](C)[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)o1 ZINC000071819458 564111200 /nfs/dbraw/zinc/11/12/00/564111200.db2.gz ZGPFAHHILOUCAE-JTQLQIEISA-N 1 1 346.818 4.113 50 0 EIAAMO Cc1ccc(-c2nc(C[N@@H+]3CC[C@H](Nc4ccccc4)C3)cs2)o1 ZINC000089656215 564112939 /nfs/dbraw/zinc/11/29/39/564112939.db2.gz DYEXMUPXEVXTDR-INIZCTEOSA-N 1 1 339.464 4.398 50 0 EIAAMO Cc1ccc(-c2nc(C[N@H+]3CC[C@H](Nc4ccccc4)C3)cs2)o1 ZINC000089656215 564112940 /nfs/dbraw/zinc/11/29/40/564112940.db2.gz DYEXMUPXEVXTDR-INIZCTEOSA-N 1 1 339.464 4.398 50 0 EIAAMO C[N@@H+](Cc1cc(Cl)cc2cccnc21)[C@@H](CCO)c1ccccc1 ZINC000075897471 564113358 /nfs/dbraw/zinc/11/33/58/564113358.db2.gz NLAIHDHWSMJTRC-IBGZPJMESA-N 1 1 340.854 4.444 50 0 EIAAMO CC(C)(C)OC(=O)Nc1ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000253370123 564130330 /nfs/dbraw/zinc/13/03/30/564130330.db2.gz MJNSRTOJKIISKU-SJORKVTESA-N 1 1 331.460 4.072 50 0 EIAAMO Clc1ccc(-c2noc(C[N@H+]3CC[C@@H]4CCCC[C@H]4C3)n2)cc1 ZINC000253388654 564130433 /nfs/dbraw/zinc/13/04/33/564130433.db2.gz BSYRCJUYJNQRAO-ZFWWWQNUSA-N 1 1 331.847 4.402 50 0 EIAAMO c1cn2cc(C[NH2+][C@H]3CC4(CCCC4)Oc4ccccc43)nc2s1 ZINC000095967477 564143061 /nfs/dbraw/zinc/14/30/61/564143061.db2.gz VFFHQRWNHCRVHV-INIZCTEOSA-N 1 1 339.464 4.322 50 0 EIAAMO CCc1cnc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)s1 ZINC000095968988 564143292 /nfs/dbraw/zinc/14/32/92/564143292.db2.gz JFAQBXBPEXRCND-STQMWFEESA-N 1 1 345.468 4.074 50 0 EIAAMO Cc1nnc(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)s1 ZINC000095987512 564144001 /nfs/dbraw/zinc/14/40/01/564144001.db2.gz JIFPGVBIHVZCGS-CQSZACIVSA-N 1 1 327.375 4.106 50 0 EIAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1C/C=C/[C@@](O)(c1ccccc1)c1ccccn1 ZINC000096028192 564145060 /nfs/dbraw/zinc/14/50/60/564145060.db2.gz YOGCIXBRKGGRLY-XQRVJETNSA-N 1 1 336.479 4.137 50 0 EIAAMO CC[C@@H](C)[N@@H+](C)C1CCN(C(=S)Nc2ccc(C)cc2C)CC1 ZINC000003060148 564154850 /nfs/dbraw/zinc/15/48/50/564154850.db2.gz CIIGAVQQPAFQNJ-MRXNPFEDSA-N 1 1 333.545 4.195 50 0 EIAAMO O=C(NCC[N@H+]1CCC[C@@H](c2ccccc2)C1)c1sccc1Cl ZINC000670463852 564161710 /nfs/dbraw/zinc/16/17/10/564161710.db2.gz GBKQCHZMJVMVEL-OAHLLOKOSA-N 1 1 348.899 4.011 50 0 EIAAMO COc1ccccc1C[N@H+](C)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000008491566 564165460 /nfs/dbraw/zinc/16/54/60/564165460.db2.gz LGZAQNRVFQMBKM-UHFFFAOYSA-N 1 1 337.419 4.050 50 0 EIAAMO COc1ccccc1C[N@@H+](C)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000008491566 564165461 /nfs/dbraw/zinc/16/54/61/564165461.db2.gz LGZAQNRVFQMBKM-UHFFFAOYSA-N 1 1 337.419 4.050 50 0 EIAAMO c1ccc(SCCOCC[N@H+]2CCCC[C@@H]2c2cccnc2)cc1 ZINC000008744433 564167201 /nfs/dbraw/zinc/16/72/01/564167201.db2.gz UIMVARSOZJNXHS-HXUWFJFHSA-N 1 1 342.508 4.418 50 0 biogenic EIAAMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)/C=C/c2cccnc2)c1 ZINC000069518125 564170127 /nfs/dbraw/zinc/17/01/27/564170127.db2.gz VUJUESCPSBKMDL-CMDGGOBGSA-N 1 1 346.434 4.102 50 0 EIAAMO Fc1ccc([C@@H]([NH2+]Cc2nnc(-c3ccco3)o2)C2CCC2)cc1 ZINC000069709896 564171730 /nfs/dbraw/zinc/17/17/30/564171730.db2.gz GNIMELCEHUTLKM-KRWDZBQOSA-N 1 1 327.359 4.100 50 0 EIAAMO Cc1[nH+]ccn1[C@H]1CCCN(C(=O)CCc2ccc3ccccc3c2)C1 ZINC000069952239 564172894 /nfs/dbraw/zinc/17/28/94/564172894.db2.gz 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Cc1nc([C@@H]2CCC[N@H+](Cc3cccc4c5ccccc5oc43)C2)n[nH]1 ZINC000825262185 1044626836 /nfs/dbraw/zinc/62/68/36/1044626836.db2.gz VUNDSRSKKJMSMX-MRXNPFEDSA-N 1 1 346.434 4.392 50 0 EIAAMO Cc1nc([C@@H]2CCC[N@@H+](Cc3cccc4c5ccccc5oc43)C2)n[nH]1 ZINC000825262185 1044626845 /nfs/dbraw/zinc/62/68/45/1044626845.db2.gz VUNDSRSKKJMSMX-MRXNPFEDSA-N 1 1 346.434 4.392 50 0 EIAAMO Cc1cnc(-c2ccccc2)n1[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000575549520 1045258068 /nfs/dbraw/zinc/25/80/68/1045258068.db2.gz NDVPUVHGDAYGKQ-HXUWFJFHSA-N 1 1 335.426 4.445 50 0 EIAAMO Clc1cnccc1C[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000075721170 1048758846 /nfs/dbraw/zinc/75/88/46/1048758846.db2.gz YEVZQVDGLGCKBY-UHFFFAOYSA-N 1 1 330.859 4.164 50 0 EIAAMO CCn1c(C)cc2cc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)ccc21 ZINC000952872520 1049678942 /nfs/dbraw/zinc/67/89/42/1049678942.db2.gz QNULNJDLSOYXOP-SFHVURJKSA-N 1 1 327.472 4.173 50 0 EIAAMO CSc1ncc(C[N@H+]2CCCC[C@@H]2CCc2cccs2)cn1 ZINC000952968627 1049688443 /nfs/dbraw/zinc/68/84/43/1049688443.db2.gz FNGYAFNPJRYPHF-OAHLLOKOSA-N 1 1 333.526 4.247 50 0 EIAAMO Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@@H]3c3cccn3C)c2cc1C ZINC000007854783 1049838617 /nfs/dbraw/zinc/83/86/17/1049838617.db2.gz GXMWFBRZWCFBGK-LJQANCHMSA-N 1 1 336.435 4.085 50 0 EIAAMO Cc1ccncc1CCC[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000368585662 1054654699 /nfs/dbraw/zinc/65/46/99/1054654699.db2.gz WJFFEPKLUWDYAH-GOSISDBHSA-N 1 1 335.451 4.343 50 0 EIAAMO Cc1ccsc1C[N@@H+]1CC[C@@H](n2c(C)cnc2-c2ccncc2)C1 ZINC000581808182 1060017502 /nfs/dbraw/zinc/01/75/02/1060017502.db2.gz WMTJDFAMPAIWME-QGZVFWFLSA-N 1 1 338.480 4.070 50 0 EIAAMO CC(C)[N@H+](Cc1ccccn1)Cc1cc(Cl)cc2c1OCOC2 ZINC000052217938 214122499 /nfs/dbraw/zinc/12/24/99/214122499.db2.gz GUBWNJRZMLATQZ-UHFFFAOYSA-N 1 1 332.831 4.012 50 0 EIAAMO CC(C)[N@@H+](Cc1ccccn1)Cc1cc(Cl)cc2c1OCOC2 ZINC000052217938 214122501 /nfs/dbraw/zinc/12/25/01/214122501.db2.gz GUBWNJRZMLATQZ-UHFFFAOYSA-N 1 1 332.831 4.012 50 0 EIAAMO CC[C@@H](C)[N@@H+](Cc1cccnc1)Cc1cccc(Oc2ncccn2)c1 ZINC000055245011 214294103 /nfs/dbraw/zinc/29/41/03/214294103.db2.gz GDXYWPDMZSRMDA-QGZVFWFLSA-N 1 1 348.450 4.465 50 0 EIAAMO COc1ccc(C[N@H+](Cc2sccc2C)CC(C)C)cc1CO ZINC000055358135 214310940 /nfs/dbraw/zinc/31/09/40/214310940.db2.gz GIXDYHJDQUCNMP-UHFFFAOYSA-N 1 1 333.497 4.216 50 0 EIAAMO CC(C)[N@H+](Cc1cnn(C)c1)Cc1c(Cl)ccc2cccnc21 ZINC000055919145 214348495 /nfs/dbraw/zinc/34/84/95/214348495.db2.gz OBWJAOYPJCJYOM-UHFFFAOYSA-N 1 1 328.847 4.032 50 0 EIAAMO CC(C)[N@@H+](Cc1cnn(C)c1)Cc1c(Cl)ccc2cccnc21 ZINC000055919145 214348496 /nfs/dbraw/zinc/34/84/96/214348496.db2.gz OBWJAOYPJCJYOM-UHFFFAOYSA-N 1 1 328.847 4.032 50 0 EIAAMO CCCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)C(C)C)ccc21 ZINC000065322198 214871258 /nfs/dbraw/zinc/87/12/58/214871258.db2.gz CXEJGFHWFQFLNO-UHFFFAOYSA-N 1 1 342.487 4.027 50 0 EIAAMO [NH2+]=C1c2ccccc2CN1c1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000004137213 210129888 /nfs/dbraw/zinc/12/98/88/210129888.db2.gz YAJOVMHVQDVXIT-UHFFFAOYSA-N 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/nfs/dbraw/zinc/94/38/42/563943842.db2.gz MSFYUHYDKWPKIO-QFIPXVFZSA-N 1 1 348.490 4.057 50 0 EIAAMO COc1cccc(C[C@@H]2CCC[N@H+]2Cc2ccn(-c3ccccc3)n2)c1 ZINC000058424068 563945900 /nfs/dbraw/zinc/94/59/00/563945900.db2.gz WDPPDHWKBUEPGW-NRFANRHFSA-N 1 1 347.462 4.088 50 0 EIAAMO COc1cccc(C[C@H]2CCC[N@H+]2Cc2ccn(-c3ccccc3)n2)c1 ZINC000058424070 563945922 /nfs/dbraw/zinc/94/59/22/563945922.db2.gz WDPPDHWKBUEPGW-OAQYLSRUSA-N 1 1 347.462 4.088 50 0 EIAAMO COc1cccc(F)c1[C@@H](C)[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000096478597 563955082 /nfs/dbraw/zinc/95/50/82/563955082.db2.gz KQVKRGFXFMVTSU-CHWSQXEVSA-N 1 1 330.403 4.205 50 0 EIAAMO COc1cc(C[N@@H+]2CCC[C@H]2c2cc(C)no2)ccc1OC(C)C ZINC000064666854 563956939 /nfs/dbraw/zinc/95/69/39/563956939.db2.gz ASJSCSDLEOLLMF-INIZCTEOSA-N 1 1 330.428 4.116 50 0 EIAAMO COc1cc(C[N@H+]2CCC[C@H]2c2cc(C)no2)ccc1OC(C)C ZINC000064666854 563956940 /nfs/dbraw/zinc/95/69/40/563956940.db2.gz ASJSCSDLEOLLMF-INIZCTEOSA-N 1 1 330.428 4.116 50 0 EIAAMO COc1cc(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)ccc1OC(C)C ZINC000064666857 563956979 /nfs/dbraw/zinc/95/69/79/563956979.db2.gz ASJSCSDLEOLLMF-MRXNPFEDSA-N 1 1 330.428 4.116 50 0 EIAAMO COc1cc(C[N@H+]2CCC[C@@H]2c2cc(C)no2)ccc1OC(C)C ZINC000064666857 563956980 /nfs/dbraw/zinc/95/69/80/563956980.db2.gz ASJSCSDLEOLLMF-MRXNPFEDSA-N 1 1 330.428 4.116 50 0 EIAAMO COc1ccc(OC)c(C[N@@H+]2CCC[C@H]2c2cc(C(C)C)no2)c1 ZINC000064667130 563957004 /nfs/dbraw/zinc/95/70/04/563957004.db2.gz XFVCBPLWJSOJTP-KRWDZBQOSA-N 1 1 330.428 4.152 50 0 EIAAMO COc1ccc(OC)c(C[N@H+]2CCC[C@H]2c2cc(C(C)C)no2)c1 ZINC000064667130 563957006 /nfs/dbraw/zinc/95/70/06/563957006.db2.gz XFVCBPLWJSOJTP-KRWDZBQOSA-N 1 1 330.428 4.152 50 0 EIAAMO Cc1c2cc(C)cc(CNc3nc(N)cc[nH+]3)c2[nH]c1-c1ccccc1 ZINC000071524122 563964521 /nfs/dbraw/zinc/96/45/21/563964521.db2.gz CUGBSRSXDONZFO-UHFFFAOYSA-N 1 1 343.434 4.436 50 0 EIAAMO CCc1nccc(C[N@H+]2CCC[C@@H](CCc3c(F)cccc3F)C2)n1 ZINC000071758810 563965326 /nfs/dbraw/zinc/96/53/26/563965326.db2.gz COSSIWMQLOQEEY-HNNXBMFYSA-N 1 1 345.437 4.162 50 0 EIAAMO CC(C)[C@H]1CN(Cc2ccc3[nH]ccc3c2)CCC[N@H+]1CC1CC1 ZINC000071764837 563965492 /nfs/dbraw/zinc/96/54/92/563965492.db2.gz OMFZPDGVZFBBLT-OAQYLSRUSA-N 1 1 325.500 4.110 50 0 EIAAMO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]Cc1cn2cccnc2n1 ZINC000097111936 563968025 /nfs/dbraw/zinc/96/80/25/563968025.db2.gz XPGZMUJWHGRYDH-ZDUSSCGKSA-N 1 1 349.463 4.012 50 0 EIAAMO Cc1ccc([C@@H](C)CC[N@@H+](C)Cc2cc(-c3cccnc3)no2)o1 ZINC000077354712 563969147 /nfs/dbraw/zinc/96/91/47/563969147.db2.gz YFJUIGBUUQFECM-AWEZNQCLSA-N 1 1 325.412 4.264 50 0 EIAAMO Cc1ccc(C)c(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)c1 ZINC000085651262 563973910 /nfs/dbraw/zinc/97/39/10/563973910.db2.gz MISFZSXYERWELH-UHFFFAOYSA-N 1 1 325.477 4.083 50 0 EIAAMO Cc1cc(Cl)cc(Cl)c1OCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016247513 563976200 /nfs/dbraw/zinc/97/62/00/563976200.db2.gz PSZZCODPUZXXGE-BETUJISGSA-N 1 1 332.271 4.180 50 0 EIAAMO CC(C)c1noc([C@H](C)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)n1 ZINC000252536906 563997915 /nfs/dbraw/zinc/99/79/15/563997915.db2.gz JTCSSKWSNMLIMV-FUHWJXTLSA-N 1 1 344.503 4.000 50 0 EIAAMO Cc1nc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2Cl)cs1 ZINC000189807033 564016488 /nfs/dbraw/zinc/01/64/88/564016488.db2.gz INCXCKGMQIEWRZ-MRXNPFEDSA-N 1 1 349.887 4.271 50 0 EIAAMO COc1ccc2cc(CN[C@H](C[NH+](C)C)c3ccccc3)ccc2c1 ZINC000028316805 564045920 /nfs/dbraw/zinc/04/59/20/564045920.db2.gz CJPOUODQWCFDSQ-JOCHJYFZSA-N 1 1 334.463 4.241 50 0 EIAAMO C[C@@H](CO)C[N@@H+](Cc1cc(C2CCCCC2)no1)Cc1ccccc1 ZINC000252491944 564053486 /nfs/dbraw/zinc/05/34/86/564053486.db2.gz MABQOHKMIVRYPL-QGZVFWFLSA-N 1 1 342.483 4.353 50 0 EIAAMO CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@H+]4CCCC(C)(C)C4)[C@H]3C=C12 ZINC000005903517 564056849 /nfs/dbraw/zinc/05/68/49/564056849.db2.gz MWMPYXXDHZQTTO-ZRAXVTTISA-N 1 1 343.511 4.343 50 0 biogenic EIAAMO Cc1nnc(C[N@H+](Cc2ccc(OC(F)(F)F)cc2)C(C)(C)C)o1 ZINC000084291477 564067659 /nfs/dbraw/zinc/06/76/59/564067659.db2.gz MFJISVWMCURCPJ-UHFFFAOYSA-N 1 1 343.349 4.077 50 0 EIAAMO Cc1nnc(C[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C(C)(C)C)o1 ZINC000084291477 564067660 /nfs/dbraw/zinc/06/76/60/564067660.db2.gz MFJISVWMCURCPJ-UHFFFAOYSA-N 1 1 343.349 4.077 50 0 EIAAMO C[N@H+]1[C@@H](C[C@@H](O)c2ccccc2)CCC[C@H]1CC(=O)c1ccccc1 ZINC000000156931 564086101 /nfs/dbraw/zinc/08/61/01/564086101.db2.gz MXYUKLILVYORSK-QHAWAJNXSA-N 1 1 337.463 4.236 50 0 in-vitro EIAAMO CN(C)Cc1ccc(C[NH2+][C@@H]2CCc3sc(Cl)cc32)cc1F ZINC000090920043 564086962 /nfs/dbraw/zinc/08/69/62/564086962.db2.gz DWHNKKNUAYHWKW-OAHLLOKOSA-N 1 1 338.879 4.379 50 0 EIAAMO CCc1ccc(CN2CC[N@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)cc1 ZINC000239415235 564088127 /nfs/dbraw/zinc/08/81/27/564088127.db2.gz UAPMFWFLFBRFLV-VXKWHMMOSA-N 1 1 326.528 4.478 50 0 EIAAMO CCc1ccc(C[N@@H+]2CCN3CCC[C@H]3[C@@H]2C2CCCCC2)cc1 ZINC000239415235 564088128 /nfs/dbraw/zinc/08/81/28/564088128.db2.gz UAPMFWFLFBRFLV-VXKWHMMOSA-N 1 1 326.528 4.478 50 0 EIAAMO CCc1ccc(C[N@H+]2CCN3CCC[C@H]3[C@@H]2C2CCCCC2)cc1 ZINC000239415235 564088129 /nfs/dbraw/zinc/08/81/29/564088129.db2.gz UAPMFWFLFBRFLV-VXKWHMMOSA-N 1 1 326.528 4.478 50 0 EIAAMO COc1cccc(OCCC[N@H+]2CCCC[C@@H]2c2cccnc2)c1 ZINC000006624523 564094647 /nfs/dbraw/zinc/09/46/47/564094647.db2.gz BIJAOTQPTHIZPE-HXUWFJFHSA-N 1 1 326.440 4.086 50 0 biogenic EIAAMO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(C(C)(C)C)cc2)cc1 ZINC000006638960 564094829 /nfs/dbraw/zinc/09/48/29/564094829.db2.gz TVNNMWIERILXEJ-UHFFFAOYSA-N 1 1 340.467 4.063 50 0 EIAAMO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(C(C)(C)C)cc2)cc1 ZINC000006638960 564094830 /nfs/dbraw/zinc/09/48/30/564094830.db2.gz TVNNMWIERILXEJ-UHFFFAOYSA-N 1 1 340.467 4.063 50 0 EIAAMO Cc1cccc(C[N@@H+](CCC(C)C)C[C@H](O)COCc2ccco2)c1 ZINC000036100709 564096157 /nfs/dbraw/zinc/09/61/57/564096157.db2.gz OTAJJCAZQPBZOB-FQEVSTJZSA-N 1 1 345.483 4.014 50 0 EIAAMO CC[C@H](C)[N@H+](Cc1ccsc1)C[C@@H](O)COc1ccccc1C ZINC000169679114 564098131 /nfs/dbraw/zinc/09/81/31/564098131.db2.gz VZFACIPARFSTJV-FUHWJXTLSA-N 1 1 333.497 4.097 50 0 EIAAMO CC[C@@H](C)[N@H+](Cc1cccc(C)c1)C[C@@H](O)COc1ccccc1 ZINC000169681699 564098212 /nfs/dbraw/zinc/09/82/12/564098212.db2.gz LDZTXYQMLZPBLL-UYAOXDASSA-N 1 1 327.468 4.035 50 0 EIAAMO c1ccc2nc(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)ccc2c1 ZINC000007216111 564105804 /nfs/dbraw/zinc/10/58/04/564105804.db2.gz DKRFGJUMHHDHMM-HXUWFJFHSA-N 1 1 346.430 4.343 50 0 EIAAMO CCC[N@@H+](Cc1ccc2ncccc2c1)[C@H](C)C(=O)Nc1ccccc1 ZINC000170591376 564108767 /nfs/dbraw/zinc/10/87/67/564108767.db2.gz LAVSSFRRWSDJNX-QGZVFWFLSA-N 1 1 347.462 4.474 50 0 EIAAMO Cc1cc(C)c(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(F)cc2)c(C)c1 ZINC000007524284 564109833 /nfs/dbraw/zinc/10/98/33/564109833.db2.gz NSLNLFGWYAIHJC-MRXNPFEDSA-N 1 1 328.431 4.382 50 0 EIAAMO Cc1cc(C)c(NC(=O)C[N@H+](C)[C@H](C)c2ccc(F)cc2)c(C)c1 ZINC000007524284 564109834 /nfs/dbraw/zinc/10/98/34/564109834.db2.gz NSLNLFGWYAIHJC-MRXNPFEDSA-N 1 1 328.431 4.382 50 0 EIAAMO C[NH+](C)[C@@H](CNc1ncnc2sccc21)c1ccccc1Cl ZINC000014075237 564112154 /nfs/dbraw/zinc/11/21/54/564112154.db2.gz QVAVLZJKPFIUOW-AWEZNQCLSA-N 1 1 332.860 4.060 50 0 EIAAMO C[N@@H+](CCCOc1ccccc1Br)Cc1ccccc1 ZINC000002824836 564117041 /nfs/dbraw/zinc/11/70/41/564117041.db2.gz OOTHRCRQEJHQDV-UHFFFAOYSA-N 1 1 334.257 4.350 50 0 EIAAMO Clc1ccc(-c2noc(C[N@H+]3CC[C@@H]4CCCC[C@@H]4C3)n2)cc1 ZINC000007590617 564117999 /nfs/dbraw/zinc/11/79/99/564117999.db2.gz BSYRCJUYJNQRAO-DZGCQCFKSA-N 1 1 331.847 4.402 50 0 EIAAMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1cc(Cl)cs1 ZINC000194429730 564120501 /nfs/dbraw/zinc/12/05/01/564120501.db2.gz SXRANUOJLBQLQR-PRWKNARSSA-N 1 1 327.902 4.332 50 0 EIAAMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cc(Cl)cs1 ZINC000194429730 564120502 /nfs/dbraw/zinc/12/05/02/564120502.db2.gz SXRANUOJLBQLQR-PRWKNARSSA-N 1 1 327.902 4.332 50 0 EIAAMO Cc1cc(C)c(NC(=O)C[N@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)c(Cl)c1 ZINC000065968503 564122635 /nfs/dbraw/zinc/12/26/35/564122635.db2.gz MTCUAMKQBMGJIZ-RYTJFDOTSA-N 1 1 346.902 4.406 50 0 EIAAMO Cc1ccc(NC(=O)C[N@H+](Cc2ccc(F)cc2)C2CC2)cc1C ZINC000007757085 564122742 /nfs/dbraw/zinc/12/27/42/564122742.db2.gz KRLYHEMNVFTRJT-UHFFFAOYSA-N 1 1 326.415 4.046 50 0 EIAAMO Cc1ccc(NC(=O)C[N@@H+](Cc2ccc(F)cc2)C2CC2)cc1C ZINC000007757085 564122743 /nfs/dbraw/zinc/12/27/43/564122743.db2.gz KRLYHEMNVFTRJT-UHFFFAOYSA-N 1 1 326.415 4.046 50 0 EIAAMO O=C(C[N@@H+](Cc1ccc(F)cc1)C1CC1)Nc1ccccc1Cl ZINC000007757140 564122756 /nfs/dbraw/zinc/12/27/56/564122756.db2.gz HLLIGZCFIMKZEL-UHFFFAOYSA-N 1 1 332.806 4.082 50 0 EIAAMO O=C(C[N@H+](Cc1ccc(F)cc1)C1CC1)Nc1ccccc1Cl ZINC000007757140 564122757 /nfs/dbraw/zinc/12/27/57/564122757.db2.gz HLLIGZCFIMKZEL-UHFFFAOYSA-N 1 1 332.806 4.082 50 0 EIAAMO COc1ccc(CN2CC[N@H+]3CCC[C@H]3[C@H]2C2CCCCC2)cc1C ZINC000022860406 564129120 /nfs/dbraw/zinc/12/91/20/564129120.db2.gz JBVBLQNLYNAOND-RBBKRZOGSA-N 1 1 342.527 4.233 50 0 EIAAMO Cc1nnc([C@@H]2CCC[N@@H+](Cc3cccc(-c4ccccc4)c3)C2)[nH]1 ZINC000355173125 564133948 /nfs/dbraw/zinc/13/39/48/564133948.db2.gz JADOKJXIZHFFKH-HXUWFJFHSA-N 1 1 332.451 4.160 50 0 EIAAMO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3cccc(-c4ccccc4)c3)C2)n1 ZINC000355173125 564133949 /nfs/dbraw/zinc/13/39/49/564133949.db2.gz JADOKJXIZHFFKH-HXUWFJFHSA-N 1 1 332.451 4.160 50 0 EIAAMO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3cccc(-c4ccccc4)c3)C2)n1 ZINC000355173125 564133950 /nfs/dbraw/zinc/13/39/50/564133950.db2.gz JADOKJXIZHFFKH-HXUWFJFHSA-N 1 1 332.451 4.160 50 0 EIAAMO Cc1nc([C@@H]2CCC[N@H+](Cc3cccc(-c4ccccc4)c3)C2)n[nH]1 ZINC000355173125 564133951 /nfs/dbraw/zinc/13/39/51/564133951.db2.gz JADOKJXIZHFFKH-HXUWFJFHSA-N 1 1 332.451 4.160 50 0 EIAAMO Cc1nc([C@@H]2CCC[N@@H+](Cc3cccc(-c4ccccc4)c3)C2)n[nH]1 ZINC000355173125 564133952 /nfs/dbraw/zinc/13/39/52/564133952.db2.gz JADOKJXIZHFFKH-HXUWFJFHSA-N 1 1 332.451 4.160 50 0 EIAAMO Cc1cnc(C[NH+]2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)o1 ZINC000278351216 564138328 /nfs/dbraw/zinc/13/83/28/564138328.db2.gz DDUVJPDTFKLLGF-UHFFFAOYSA-N 1 1 348.446 4.134 50 0 EIAAMO CC(C)[C@@H]1C[C@@H](Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CS1 ZINC000331380853 564140533 /nfs/dbraw/zinc/14/05/33/564140533.db2.gz IQQKRJCOWHHCOJ-KURKYZTESA-N 1 1 347.528 4.128 50 0 EIAAMO O[C@@H]1CC[N@@H+](CCCOc2cccc(Cl)c2)Cc2ccccc21 ZINC000095466724 564141070 /nfs/dbraw/zinc/14/10/70/564141070.db2.gz CYPBDSLQOXMBSM-LJQANCHMSA-N 1 1 331.843 4.048 50 0 EIAAMO COc1ccccc1Oc1ccc(C[NH2+][C@@H](C)c2cnccn2)cc1 ZINC000095967873 564143084 /nfs/dbraw/zinc/14/30/84/564143084.db2.gz ZANBYDZPEWZJRD-HNNXBMFYSA-N 1 1 335.407 4.128 50 0 EIAAMO COc1ccc([C@@H]2CCCCC[N@@H+]2Cc2nc(C3CC3)no2)cc1 ZINC000029455624 564153437 /nfs/dbraw/zinc/15/34/37/564153437.db2.gz YEMNINSYIBZUPT-KRWDZBQOSA-N 1 1 327.428 4.073 50 0 EIAAMO COc1ccc([C@@H]2CCCCC[N@H+]2Cc2nc(C3CC3)no2)cc1 ZINC000029455624 564153438 /nfs/dbraw/zinc/15/34/38/564153438.db2.gz YEMNINSYIBZUPT-KRWDZBQOSA-N 1 1 327.428 4.073 50 0 EIAAMO CCc1ccc2c(C[N@H+]3CCC[C@@H](C(F)(F)F)C3)cc(=O)oc2c1 ZINC000057331993 564153566 /nfs/dbraw/zinc/15/35/66/564153566.db2.gz RQLCJMXCMZBSRP-CQSZACIVSA-N 1 1 339.357 4.130 50 0 EIAAMO CC[C@@H](C)[N@@H+](C)C1CCN(C(=S)Nc2cc(C)ccc2C)CC1 ZINC000003060196 564154818 /nfs/dbraw/zinc/15/48/18/564154818.db2.gz BCXNMLDNLMGDRA-MRXNPFEDSA-N 1 1 333.545 4.195 50 0 EIAAMO Cc1c(O)ccc2c(C[N@H+]3CCC[C@@H]3c3ccccc3)cc(=O)oc12 ZINC000057536119 564154866 /nfs/dbraw/zinc/15/48/66/564154866.db2.gz ALNZQUPDMFFBHN-GOSISDBHSA-N 1 1 335.403 4.144 50 0 EIAAMO Cc1cc2nnc(SCC[C@@H]3CCCC[N@@H+]3C)n2c2ccccc12 ZINC000057745378 564155639 /nfs/dbraw/zinc/15/56/39/564155639.db2.gz SIQZKMNHYKEJPH-HNNXBMFYSA-N 1 1 340.496 4.157 50 0 EIAAMO COc1cccc(C[N@H+](C)[C@H](C)C(=O)c2c(C)[nH]c3ccccc32)c1 ZINC000057848825 564156148 /nfs/dbraw/zinc/15/61/48/564156148.db2.gz NRWQQLJOLLERBU-OAHLLOKOSA-N 1 1 336.435 4.188 50 0 EIAAMO COc1cccc(C[N@@H+](C)[C@H](C)C(=O)c2c(C)[nH]c3ccccc32)c1 ZINC000057848825 564156149 /nfs/dbraw/zinc/15/61/49/564156149.db2.gz NRWQQLJOLLERBU-OAHLLOKOSA-N 1 1 336.435 4.188 50 0 EIAAMO Clc1ccc(-c2cnc(C[NH+]3CCC(c4cc[nH]n4)CC3)o2)cc1 ZINC000058265348 564158276 /nfs/dbraw/zinc/15/82/76/564158276.db2.gz BSZXXXVOOHPTFR-UHFFFAOYSA-N 1 1 342.830 4.098 50 0 EIAAMO COc1ccc2c(c1)C=C(C[N@H+]1CCCC[C@H]1c1ccccn1)CO2 ZINC000670460435 564161059 /nfs/dbraw/zinc/16/10/59/564161059.db2.gz GGYCKLCUIBTGDW-FQEVSTJZSA-N 1 1 336.435 4.093 50 0 EIAAMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC(C)CC3)c2c1C ZINC000008128261 564162955 /nfs/dbraw/zinc/16/29/55/564162955.db2.gz IMQOZEXYKBZCJZ-UHFFFAOYSA-N 1 1 344.528 4.140 50 0 EIAAMO COc1cc(OC)c(C[NH2+][C@H]2CCSc3ccccc32)c(OC)c1 ZINC000008328524 564164471 /nfs/dbraw/zinc/16/44/71/564164471.db2.gz YZGOAMDBQLAIMD-INIZCTEOSA-N 1 1 345.464 4.039 50 0 EIAAMO CC(C)n1cc([C@H](C)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cn1 ZINC000245289842 564169006 /nfs/dbraw/zinc/16/90/06/564169006.db2.gz FMSNPGKCZILYJI-TXPKVOOTSA-N 1 1 346.544 4.259 50 0 EIAAMO CC(C)n1cc([C@H](C)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cn1 ZINC000245289842 564169007 /nfs/dbraw/zinc/16/90/07/564169007.db2.gz FMSNPGKCZILYJI-TXPKVOOTSA-N 1 1 346.544 4.259 50 0 EIAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)Nc1cccc(C)c1 ZINC000069460711 564169702 /nfs/dbraw/zinc/16/97/02/564169702.db2.gz MZPWVJJAXPBTKB-ICSRJNTNSA-N 1 1 335.451 4.143 50 0 EIAAMO Cc1c[nH+]c(CCNC(=O)Nc2ccccc2)n1C1CCCCCC1 ZINC000581815579 1021882719 /nfs/dbraw/zinc/88/27/19/1021882719.db2.gz OHKDJRLJHKYRTC-UHFFFAOYSA-N 1 1 340.471 4.451 50 0 EIAAMO CC(C)[N@@H+](Cc1cnc(C2OCCO2)s1)[C@H](C)c1ccccc1 ZINC000292882773 1022595062 /nfs/dbraw/zinc/59/50/62/1022595062.db2.gz XZZDXUFDCYHYRA-CQSZACIVSA-N 1 1 332.469 4.160 50 0 EIAAMO COc1ccccc1/C=C/C[N@H+](Cc1ccc(O)c(OC)c1)C1CC1 ZINC000097165663 1023827388 /nfs/dbraw/zinc/82/73/88/1023827388.db2.gz HWYBKNUWWAXZSI-FNORWQNLSA-N 1 1 339.435 4.087 50 0 EIAAMO C[NH+](C)Cc1cnc(CN(C2CC2)[C@H]2CCCc3ccccc32)s1 ZINC000347578000 1035599089 /nfs/dbraw/zinc/59/90/89/1035599089.db2.gz CLVPJXLCRHUTRG-IBGZPJMESA-N 1 1 341.524 4.247 50 0 EIAAMO 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/nfs/dbraw/zinc/09/76/98/217097698.db2.gz HLXCFXCYKLCKDT-UHFFFAOYSA-N 1 1 342.826 4.277 50 0 EIAAMO CC(C)C(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)CCSc2ccccc2)C1 ZINC000079109635 217195425 /nfs/dbraw/zinc/19/54/25/217195425.db2.gz GKVCLBCFBQHXGF-ROUUACIJSA-N 1 1 348.556 4.042 50 0 EIAAMO Cc1cc(Cl)ccc1C(=O)[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000012448654 211387647 /nfs/dbraw/zinc/38/76/47/211387647.db2.gz GQXJEJKGYWJGMI-OAHLLOKOSA-N 1 1 328.843 4.138 50 0 EIAAMO c1cncc(CN(CC2CC2)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)c1 ZINC000012320876 211346155 /nfs/dbraw/zinc/34/61/55/211346155.db2.gz SFPJFERMKJCDCN-OAQYLSRUSA-N 1 1 341.543 4.338 50 0 EIAAMO c1cncc(CN(CC2CC2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000012320876 211346157 /nfs/dbraw/zinc/34/61/57/211346157.db2.gz SFPJFERMKJCDCN-OAQYLSRUSA-N 1 1 341.543 4.338 50 0 EIAAMO CC(C)(C)c1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000012205172 211320940 /nfs/dbraw/zinc/32/09/40/211320940.db2.gz PEBXTQMMYAQOII-IBGZPJMESA-N 1 1 336.479 4.474 50 0 EIAAMO CC(C)n1cc(C[N@@H+]2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)cn1 ZINC000012002226 211277078 /nfs/dbraw/zinc/27/70/78/211277078.db2.gz FCMRMNOLZJARED-KRWDZBQOSA-N 1 1 345.874 4.212 50 0 EIAAMO CC(C)n1cc(C[N@H+]2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)cn1 ZINC000012002226 211277084 /nfs/dbraw/zinc/27/70/84/211277084.db2.gz FCMRMNOLZJARED-KRWDZBQOSA-N 1 1 345.874 4.212 50 0 EIAAMO CC[C@@H](c1cccnc1)[N@@H+](C)Cc1cc(=O)c2cccc(Cl)c2[nH]1 ZINC000091706636 218051062 /nfs/dbraw/zinc/05/10/62/218051062.db2.gz BRZXVUCDZWCHHC-KRWDZBQOSA-N 1 1 341.842 4.160 50 0 EIAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)Nc1cccc2ccccc21 ZINC000011005172 211199150 /nfs/dbraw/zinc/19/91/50/211199150.db2.gz VZVYKLMXWBVAQI-INIZCTEOSA-N 1 1 325.456 4.226 50 0 EIAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)Nc1cccc2ccccc21 ZINC000011005168 211198966 /nfs/dbraw/zinc/19/89/66/211198966.db2.gz VZVYKLMXWBVAQI-MRXNPFEDSA-N 1 1 325.456 4.226 50 0 EIAAMO CC(C)n1ccnc1C1CC[NH+](Cc2cc(F)c(F)c(F)c2)CC1 ZINC000092028856 218105628 /nfs/dbraw/zinc/10/56/28/218105628.db2.gz APMXPLKCPDXCBP-UHFFFAOYSA-N 1 1 337.389 4.261 50 0 EIAAMO CC(C)n1cc[nH+]c1C1CCN(Cc2cc(F)c(F)c(F)c2)CC1 ZINC000092028856 218105632 /nfs/dbraw/zinc/10/56/32/218105632.db2.gz APMXPLKCPDXCBP-UHFFFAOYSA-N 1 1 337.389 4.261 50 0 EIAAMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000009998295 211138946 /nfs/dbraw/zinc/13/89/46/211138946.db2.gz QOPIJKJLPYDPGO-SNVBAGLBSA-N 1 1 334.769 4.172 50 0 EIAAMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000009998295 211138947 /nfs/dbraw/zinc/13/89/47/211138947.db2.gz QOPIJKJLPYDPGO-SNVBAGLBSA-N 1 1 334.769 4.172 50 0 EIAAMO Cc1cccc([C@H]2CCC[N@H+]2Cc2cnc(-c3cccnc3)s2)n1 ZINC000093445031 218226310 /nfs/dbraw/zinc/22/63/10/218226310.db2.gz AAUBYZITFPRXRQ-GOSISDBHSA-N 1 1 336.464 4.246 50 0 EIAAMO CC(C)n1cc[nH+]c1[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000095353394 218287487 /nfs/dbraw/zinc/28/74/87/218287487.db2.gz WLDDYXMTJZCNPC-AWEZNQCLSA-N 1 1 326.469 4.458 50 0 EIAAMO O=C(CC[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1)N1CCCCC1 ZINC000095349849 218283874 /nfs/dbraw/zinc/28/38/74/218283874.db2.gz TXBDSNOKOVACMM-QFIPXVFZSA-N 1 1 348.490 4.037 50 0 EIAAMO CCc1nc(C)sc1C[N@H+]1CCC[C@@H](c2nccn2C(C)C)C1 ZINC000095387249 218319242 /nfs/dbraw/zinc/31/92/42/218319242.db2.gz NTEYONVMOZBHPP-OAHLLOKOSA-N 1 1 332.517 4.171 50 0 EIAAMO C[C@H]([NH2+][C@H](c1ccco1)c1ccccc1)c1ccc([S@](C)=O)cc1 ZINC000095419544 218359357 /nfs/dbraw/zinc/35/93/57/218359357.db2.gz DUAPMYXHDMWETO-IJHUGTEESA-N 1 1 339.460 4.457 50 0 EIAAMO C[C@@H](NC1CC[NH+](CCc2ccncc2)CC1)c1cc2ccccc2o1 ZINC000095421526 218363363 /nfs/dbraw/zinc/36/33/63/218363363.db2.gz JHBLWEWLTJIETO-QGZVFWFLSA-N 1 1 349.478 4.186 50 0 EIAAMO Cc1cccc2c1OCCC[C@H]2[NH2+]Cc1nccn1Cc1ccccc1 ZINC000095423421 218366048 /nfs/dbraw/zinc/36/60/48/218366048.db2.gz JSQILKVMBQOOIS-HXUWFJFHSA-N 1 1 347.462 4.243 50 0 EIAAMO C[C@@H]1C[C@@H](C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CCO1 ZINC000095988709 218495785 /nfs/dbraw/zinc/49/57/85/218495785.db2.gz LXUSBTLCHVUBAI-SJORKVTESA-N 1 1 344.499 4.205 50 0 EIAAMO COc1cccc(OCCCC[N@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC000006624457 210664152 /nfs/dbraw/zinc/66/41/52/210664152.db2.gz ITNCHSZVTBOMMN-NRFANRHFSA-N 1 1 340.467 4.476 50 0 biogenic EIAAMO COc1cccc(F)c1[C@H](C)[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000096478593 218855178 /nfs/dbraw/zinc/85/51/78/218855178.db2.gz KQVKRGFXFMVTSU-OLZOCXBDSA-N 1 1 330.403 4.205 50 0 EIAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)c1csc2c1CCCC2 ZINC000005070128 210383820 /nfs/dbraw/zinc/38/38/20/210383820.db2.gz ZMBRNJVGBUOWLD-GASCZTMLSA-N 1 1 334.529 4.010 50 0 EIAAMO COCc1ccc(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)o1 ZINC000097494369 219029258 /nfs/dbraw/zinc/02/92/58/219029258.db2.gz DDZVNOFMNMFSMI-OAHLLOKOSA-N 1 1 342.439 4.053 50 0 EIAAMO Brc1ccc2[nH]c(C[N@H+]3CC[C@@H]4CCCC[C@@H]43)nc2c1 ZINC000097141144 563968261 /nfs/dbraw/zinc/96/82/61/563968261.db2.gz BBEKGSQQVIMMNP-NHYWBVRUSA-N 1 1 334.261 4.090 50 0 EIAAMO Brc1ccc2nc(C[N@@H+]3CC[C@@H]4CCCC[C@@H]43)[nH]c2c1 ZINC000097141144 563968262 /nfs/dbraw/zinc/96/82/62/563968262.db2.gz BBEKGSQQVIMMNP-NHYWBVRUSA-N 1 1 334.261 4.090 50 0 EIAAMO Cc1c(Cl)cccc1NC(=S)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000252457298 564118591 /nfs/dbraw/zinc/11/85/91/564118591.db2.gz WESHCXQQFSZURC-CHWSQXEVSA-N 1 1 339.936 4.198 50 0 EIAAMO C[N@H+]1[C@@H](C[C@H](O)c2ccccc2)CCC[C@H]1CC(=O)c1ccccc1 ZINC000000156831 563248142 /nfs/dbraw/zinc/24/81/42/563248142.db2.gz MXYUKLILVYORSK-HKBOAZHASA-N 1 1 337.463 4.236 50 0 biogenic,in-man EIAAMO O=C(c1cccc(C[NH+]2CCC2)c1)c1ccc(Br)c(F)c1 ZINC000002515127 563436410 /nfs/dbraw/zinc/43/64/10/563436410.db2.gz INPQEDYXWPSYGQ-UHFFFAOYSA-N 1 1 348.215 4.025 50 0 EIAAMO Cc1ccc(C[N@H+]2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)o1 ZINC000012714762 563669128 /nfs/dbraw/zinc/66/91/28/563669128.db2.gz LTEZZWTXKFWORX-MRXNPFEDSA-N 1 1 344.430 4.358 50 0 EIAAMO C[N@H+](CCC(=O)Nc1ccccc1F)Cc1c(F)cccc1Cl ZINC000013009261 563685307 /nfs/dbraw/zinc/68/53/07/563685307.db2.gz IBDTYFQTSCHNCN-UHFFFAOYSA-N 1 1 338.785 4.079 50 0 EIAAMO C[N@@H+](CCC(=O)Nc1ccccc1F)Cc1c(F)cccc1Cl ZINC000013009261 563685309 /nfs/dbraw/zinc/68/53/09/563685309.db2.gz IBDTYFQTSCHNCN-UHFFFAOYSA-N 1 1 338.785 4.079 50 0 EIAAMO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000032754468 563728000 /nfs/dbraw/zinc/72/80/00/563728000.db2.gz CDEZQCHRQMGNHG-ZDUSSCGKSA-N 1 1 326.371 4.203 50 0 EIAAMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000032754468 563728002 /nfs/dbraw/zinc/72/80/02/563728002.db2.gz CDEZQCHRQMGNHG-ZDUSSCGKSA-N 1 1 326.371 4.203 50 0 EIAAMO C[N@H+](Cc1nc2ccccc2o1)Cc1ccccc1N1CCCCC1 ZINC000032806096 563740961 /nfs/dbraw/zinc/74/09/61/563740961.db2.gz MJZZXMYKYQXKQY-UHFFFAOYSA-N 1 1 335.451 4.450 50 0 EIAAMO C[N@@H+](Cc1nc2ccccc2o1)Cc1ccccc1N1CCCCC1 ZINC000032806096 563740966 /nfs/dbraw/zinc/74/09/66/563740966.db2.gz MJZZXMYKYQXKQY-UHFFFAOYSA-N 1 1 335.451 4.450 50 0 EIAAMO Cc1cc(C)cc(OCC[N@@H+](C)Cc2coc(-c3ccccc3)n2)c1 ZINC000032806082 563740998 /nfs/dbraw/zinc/74/09/98/563740998.db2.gz GMYFUCZZASJPCY-UHFFFAOYSA-N 1 1 336.435 4.469 50 0 EIAAMO Cc1cc(C)cc(OCC[N@H+](C)Cc2coc(-c3ccccc3)n2)c1 ZINC000032806082 563741000 /nfs/dbraw/zinc/74/10/00/563741000.db2.gz GMYFUCZZASJPCY-UHFFFAOYSA-N 1 1 336.435 4.469 50 0 EIAAMO CC[C@H]1C[N@H+](Cc2cc3ccccc3[nH]2)Cc2cc(OC)ccc2O1 ZINC000014983490 563770546 /nfs/dbraw/zinc/77/05/46/563770546.db2.gz DWBLMVMWKKKLSX-SFHVURJKSA-N 1 1 336.435 4.350 50 0 EIAAMO CC[C@H]1C[N@@H+](Cc2cc3ccccc3[nH]2)Cc2cc(OC)ccc2O1 ZINC000014983490 563770549 /nfs/dbraw/zinc/77/05/49/563770549.db2.gz DWBLMVMWKKKLSX-SFHVURJKSA-N 1 1 336.435 4.350 50 0 EIAAMO CSc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc(C)c2)cc1 ZINC000016623263 563817809 /nfs/dbraw/zinc/81/78/09/563817809.db2.gz NWWQVVXORJACNE-HNNXBMFYSA-N 1 1 328.481 4.176 50 0 EIAAMO CSc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc(C)c2)cc1 ZINC000016623263 563817811 /nfs/dbraw/zinc/81/78/11/563817811.db2.gz NWWQVVXORJACNE-HNNXBMFYSA-N 1 1 328.481 4.176 50 0 EIAAMO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CCCSCC1 ZINC000032935693 563845157 /nfs/dbraw/zinc/84/51/57/563845157.db2.gz UZNRHTDNDSIBGP-INIZCTEOSA-N 1 1 340.492 4.120 50 0 EIAAMO CC(C)[C@@H]([NH2+]Cc1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1 ZINC000024014502 563868274 /nfs/dbraw/zinc/86/82/74/563868274.db2.gz VYFMCCSXYJMYAG-GOSISDBHSA-N 1 1 341.842 4.063 50 0 EIAAMO Clc1ccccc1Cn1c2ccccc2nc1C[NH+]1CCCC1 ZINC000027757696 563899528 /nfs/dbraw/zinc/89/95/28/563899528.db2.gz SJZBMWMMBUKNPZ-UHFFFAOYSA-N 1 1 325.843 4.334 50 0 EIAAMO Cc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCc3ccccc32)c(Cl)c1 ZINC000029482877 563906497 /nfs/dbraw/zinc/90/64/97/563906497.db2.gz RIOXYVADUZZYNZ-GOSISDBHSA-N 1 1 328.843 4.206 50 0 EIAAMO Cc1[nH+]ccn1CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000029937959 563908888 /nfs/dbraw/zinc/90/88/88/563908888.db2.gz CDMJPQKWEPTBEF-UHFFFAOYSA-N 1 1 341.798 4.276 50 0 EIAAMO CCOc1ccccc1C[N@H+]1CCC[C@H](c2n[nH]cc2CC(C)C)C1 ZINC000042484224 563924703 /nfs/dbraw/zinc/92/47/03/563924703.db2.gz VCJAUMOYJLFSEV-SFHVURJKSA-N 1 1 341.499 4.387 50 0 EIAAMO CCCCc1cc(=O)[nH]c(-c2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)n1 ZINC000048435644 563930355 /nfs/dbraw/zinc/93/03/55/563930355.db2.gz ZKBSSPPZVQFFPS-INIZCTEOSA-N 1 1 339.483 4.154 50 0 EIAAMO c1ccc(Cc2noc(C[N@H+]3CCC[C@H]3C3CCCCC3)n2)cc1 ZINC000058209047 563939846 /nfs/dbraw/zinc/93/98/46/563939846.db2.gz CDFVESZUEWPTFV-SFHVURJKSA-N 1 1 325.456 4.205 50 0 EIAAMO Cc1ccc2c(C[N@H+]3CCC[C@@H]3c3ccc(O)cc3)cc(=O)oc2c1 ZINC000058424495 563945891 /nfs/dbraw/zinc/94/58/91/563945891.db2.gz CXFYSSWGYPELFQ-LJQANCHMSA-N 1 1 335.403 4.144 50 0 EIAAMO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)no2)c(OC)c1 ZINC000064667104 563956932 /nfs/dbraw/zinc/95/69/32/563956932.db2.gz GXIUUPXHMPYZMB-QGZVFWFLSA-N 1 1 330.428 4.152 50 0 EIAAMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)no2)c(OC)c1 ZINC000064667104 563956933 /nfs/dbraw/zinc/95/69/33/563956933.db2.gz GXIUUPXHMPYZMB-QGZVFWFLSA-N 1 1 330.428 4.152 50 0 EIAAMO COc1cc(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)ccc1OCC(C)C ZINC000064666865 563957037 /nfs/dbraw/zinc/95/70/37/563957037.db2.gz XCMSCXOPYMDAOL-QGZVFWFLSA-N 1 1 344.455 4.364 50 0 EIAAMO COc1cc(C[N@H+]2CCC[C@@H]2c2cc(C)no2)ccc1OCC(C)C ZINC000064666865 563957039 /nfs/dbraw/zinc/95/70/39/563957039.db2.gz XCMSCXOPYMDAOL-QGZVFWFLSA-N 1 1 344.455 4.364 50 0 EIAAMO CC[C@@H]1CCCC[N@@H+]1c1ccc2c(c1)CCCN2Cc1nc(C)no1 ZINC000097141123 563968271 /nfs/dbraw/zinc/96/82/71/563968271.db2.gz ZFQIWUGZORUVTE-QGZVFWFLSA-N 1 1 340.471 4.100 50 0 EIAAMO CC[C@@H]1CCCC[N@H+]1c1ccc2c(c1)CCCN2Cc1nc(C)no1 ZINC000097141123 563968272 /nfs/dbraw/zinc/96/82/72/563968272.db2.gz ZFQIWUGZORUVTE-QGZVFWFLSA-N 1 1 340.471 4.100 50 0 EIAAMO CCCc1ccc2oc(C(=O)N(CC)C[C@@H]3CC[N@@H+](C)C3)c(C)c2c1 ZINC000077321683 563968984 /nfs/dbraw/zinc/96/89/84/563968984.db2.gz ALBLVCSOHQYMGW-QGZVFWFLSA-N 1 1 342.483 4.108 50 0 EIAAMO Clc1cncc(Cl)c1C[N@@H+]1CCCC[C@@H]1CCn1cccn1 ZINC000077407231 563969465 /nfs/dbraw/zinc/96/94/65/563969465.db2.gz GGQKXUHQXMKCGM-CYBMUJFWSA-N 1 1 339.270 4.030 50 0 EIAAMO Clc1cncc(Cl)c1C[N@H+]1CCCC[C@@H]1CCn1cccn1 ZINC000077407231 563969466 /nfs/dbraw/zinc/96/94/66/563969466.db2.gz GGQKXUHQXMKCGM-CYBMUJFWSA-N 1 1 339.270 4.030 50 0 EIAAMO Cc1cccc(NC(=O)N2CCC(C[N@@H+]3CCC[C@H](C)C3)CC2)c1C ZINC000033312149 563973558 /nfs/dbraw/zinc/97/35/58/563973558.db2.gz MCJLAAIVQQFOGN-INIZCTEOSA-N 1 1 343.515 4.279 50 0 EIAAMO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1)Nc1ccc(Cl)cc1Cl ZINC000247425841 563973811 /nfs/dbraw/zinc/97/38/11/563973811.db2.gz SLRLKULDMBMYPI-STQMWFEESA-N 1 1 341.282 4.444 50 0 EIAAMO O=C(C[N@H+]1CC[C@@H]2CCCC[C@H]2C1)Nc1ccc(Cl)cc1Cl ZINC000247425841 563973812 /nfs/dbraw/zinc/97/38/12/563973812.db2.gz SLRLKULDMBMYPI-STQMWFEESA-N 1 1 341.282 4.444 50 0 EIAAMO CCCc1cc(C(=O)N2CCCC[C@H]2CCn2cc[nH+]c2C)cs1 ZINC000091270218 563975189 /nfs/dbraw/zinc/97/51/89/563975189.db2.gz NULOWNPFXHGUAD-KRWDZBQOSA-N 1 1 345.512 4.291 50 0 EIAAMO O=C(C[N@@H+]1CCc2ccccc2C1)n1c2ccccc2c2c1CCCC2 ZINC000095883200 563977769 /nfs/dbraw/zinc/97/77/69/563977769.db2.gz UEBSRNFBVVUCPE-UHFFFAOYSA-N 1 1 344.458 4.219 50 0 EIAAMO O=C(C[N@H+]1CCc2ccccc2C1)n1c2ccccc2c2c1CCCC2 ZINC000095883200 563977770 /nfs/dbraw/zinc/97/77/70/563977770.db2.gz UEBSRNFBVVUCPE-UHFFFAOYSA-N 1 1 344.458 4.219 50 0 EIAAMO COc1ccc(CCn2c3ccc(C)cc3c3c2CC[N@@H+](C)C3)cc1 ZINC000045336254 564028405 /nfs/dbraw/zinc/02/84/05/564028405.db2.gz IJQSFAYWVZPICY-UHFFFAOYSA-N 1 1 334.463 4.189 50 0 EIAAMO COc1ccc(CCn2c3ccc(C)cc3c3c2CC[N@H+](C)C3)cc1 ZINC000045336254 564028406 /nfs/dbraw/zinc/02/84/06/564028406.db2.gz IJQSFAYWVZPICY-UHFFFAOYSA-N 1 1 334.463 4.189 50 0 EIAAMO CCOc1ccc(Oc2ccc(NC(=O)C[N@@H+](C)C(C)C)cc2)cc1 ZINC000048263610 564030326 /nfs/dbraw/zinc/03/03/26/564030326.db2.gz SHZARTYYLKBJAZ-UHFFFAOYSA-N 1 1 342.439 4.156 50 0 EIAAMO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000008118302 564034808 /nfs/dbraw/zinc/03/48/08/564034808.db2.gz TUVCFJAMYCSZEI-CYBMUJFWSA-N 1 1 348.368 4.091 50 0 EIAAMO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCc2ccccc2C1 ZINC000008118302 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C[C@H]1CCC[N@@H+]([C@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)C1 ZINC000058012618 564157196 /nfs/dbraw/zinc/15/71/96/564157196.db2.gz SACHTOPZGFUHHW-KSSFIOAISA-N 1 1 334.891 4.172 50 0 EIAAMO C[C@H]1CCC[N@H+]([C@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)C1 ZINC000058012618 564157197 /nfs/dbraw/zinc/15/71/97/564157197.db2.gz SACHTOPZGFUHHW-KSSFIOAISA-N 1 1 334.891 4.172 50 0 EIAAMO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)Nc1ccc(Cl)cc1Cl ZINC000008267708 564163899 /nfs/dbraw/zinc/16/38/99/564163899.db2.gz SLRLKULDMBMYPI-QWHCGFSZSA-N 1 1 341.282 4.444 50 0 EIAAMO O=C(C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)Nc1ccc(Cl)cc1Cl ZINC000008267708 564163900 /nfs/dbraw/zinc/16/39/00/564163900.db2.gz SLRLKULDMBMYPI-QWHCGFSZSA-N 1 1 341.282 4.444 50 0 EIAAMO Cc1ccc(C)c2c(=O)c(C[N@H+]3CCc4ccccc4C3)c(C)[nH]c12 ZINC000008717481 564166788 /nfs/dbraw/zinc/16/67/88/564166788.db2.gz BBXBBADHDOUFLF-UHFFFAOYSA-N 1 1 332.447 4.424 50 0 EIAAMO COc1ccc2c(c1)C=C(CNc1ccc(-n3cc[nH+]c3C)cc1)CO2 ZINC000032573399 1041766994 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CSc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CCCCCC3)C2)cc1 ZINC000004745053 210266954 /nfs/dbraw/zinc/26/69/54/210266954.db2.gz UJMGAFPUWWQSRS-SFHVURJKSA-N 1 1 346.540 4.023 50 0 EIAAMO Cc1c(O)ccc2c(C[N@H+]3CCC[C@H]3c3ccsc3)cc(=O)oc12 ZINC000052803447 214146774 /nfs/dbraw/zinc/14/67/74/214146774.db2.gz ZTXVCOXCEAIPCL-INIZCTEOSA-N 1 1 341.432 4.206 50 0 EIAAMO Cc1c(O)ccc2c(C[N@H+]3CCC[C@@H]3c3ccsc3)cc(=O)oc12 ZINC000052803446 214147403 /nfs/dbraw/zinc/14/74/03/214147403.db2.gz ZTXVCOXCEAIPCL-MRXNPFEDSA-N 1 1 341.432 4.206 50 0 EIAAMO CC[C@H](C)[N@@H+](Cc1ccncc1)Cc1cccc(Cn2cccn2)c1 ZINC000055133250 214278338 /nfs/dbraw/zinc/27/83/38/214278338.db2.gz OMSSXKSKSYUODB-SFHVURJKSA-N 1 1 334.467 4.127 50 0 EIAAMO CC[C@H](C)[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1cccnc1 ZINC000055167772 214282668 /nfs/dbraw/zinc/28/26/68/214282668.db2.gz KUKJKWSYUPUOSY-HNNXBMFYSA-N 1 1 338.430 4.412 50 0 EIAAMO CCCCC(=O)Nc1ccc(C)cc1NC(=O)[C@H](C)C[N@@H+](C)C(C)C ZINC000055255986 214296811 /nfs/dbraw/zinc/29/68/11/214296811.db2.gz OFIDGXWOHNDHHD-MRXNPFEDSA-N 1 1 347.503 4.039 50 0 EIAAMO Cc1ccc2occ(C[N@@H+](Cc3ccccn3)CC(C)C)c(=O)c2c1 ZINC000055361123 214312015 /nfs/dbraw/zinc/31/20/15/214312015.db2.gz FGPZCAWEYJXHEA-UHFFFAOYSA-N 1 1 336.435 4.155 50 0 EIAAMO Cc1ccc2occ(C[N@H+](Cc3ccccn3)CC(C)C)c(=O)c2c1 ZINC000055361123 214312016 /nfs/dbraw/zinc/31/20/16/214312016.db2.gz FGPZCAWEYJXHEA-UHFFFAOYSA-N 1 1 336.435 4.155 50 0 EIAAMO CCn1nc(C)c(C[N@@H+](CC)C/C=C/c2ccccc2OC)c1C ZINC000055357673 214310672 /nfs/dbraw/zinc/31/06/72/214310672.db2.gz ULZYDBYHAFSFQK-ZRDIBKRKSA-N 1 1 327.472 4.064 50 0 EIAAMO CC[C@H](C)[N@@H+](Cc1cccnc1)Cc1ccccc1Cn1cccn1 ZINC000055392803 214317231 /nfs/dbraw/zinc/31/72/31/214317231.db2.gz KPYDPBJJZMSKNH-SFHVURJKSA-N 1 1 334.467 4.127 50 0 EIAAMO CC[C@H](O)C[N@@H+](CCC(C)C)Cc1cccn1Cc1ccc(F)cc1 ZINC000004591329 210228785 /nfs/dbraw/zinc/22/87/85/210228785.db2.gz HTGJQZVDWVTSPY-NRFANRHFSA-N 1 1 346.490 4.295 50 0 EIAAMO Cc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)s1 ZINC000004555330 210220643 /nfs/dbraw/zinc/22/06/43/210220643.db2.gz OUCDBOWNMSMXBO-OAHLLOKOSA-N 1 1 347.509 4.313 50 0 EIAAMO COc1cccc(C[NH2+]Cc2ccco2)c1OCc1ccccc1F ZINC000004488571 210201455 /nfs/dbraw/zinc/20/14/55/210201455.db2.gz HDNRTIGBEYRUTM-UHFFFAOYSA-N 1 1 341.382 4.296 50 0 EIAAMO COc1ccc(C(=O)c2c[nH+]c3ccccc3c2N2CCCCC2)cc1 ZINC000101552037 219135292 /nfs/dbraw/zinc/13/52/92/219135292.db2.gz FEAVWMJKPUHEHU-UHFFFAOYSA-N 1 1 346.430 4.465 50 0 EIAAMO CC[C@@H](c1nnc(SCC(C)C)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000066316889 215033141 /nfs/dbraw/zinc/03/31/41/215033141.db2.gz ZMWWUSNXOGZTJL-INIZCTEOSA-N 1 1 348.516 4.037 50 0 EIAAMO COc1cccc2cc([C@@H](C)[NH2+]Cc3nc4ccccc4n3C)oc21 ZINC000066970978 215100444 /nfs/dbraw/zinc/10/04/44/215100444.db2.gz STNIOSDIWAJKJL-CYBMUJFWSA-N 1 1 335.407 4.179 50 0 EIAAMO C[C@@H](c1ccncn1)[N@H+](C)Cc1c[nH]nc1-c1cccc2ccccc21 ZINC000067787209 215211806 /nfs/dbraw/zinc/21/18/06/215211806.db2.gz XRGCTOWCPBQALA-HNNXBMFYSA-N 1 1 343.434 4.213 50 0 EIAAMO C[C@@H](c1ccncn1)[N@@H+](C)Cc1c[nH]nc1-c1cccc2ccccc21 ZINC000067787209 215211808 /nfs/dbraw/zinc/21/18/08/215211808.db2.gz XRGCTOWCPBQALA-HNNXBMFYSA-N 1 1 343.434 4.213 50 0 EIAAMO c1coc([C@@H]2CCC[N@H+]2Cc2cnc3c(-c4ccccc4)cnn3c2)c1 ZINC000067820743 215221369 /nfs/dbraw/zinc/22/13/69/215221369.db2.gz UDCMMVGNGXJYJB-IBGZPJMESA-N 1 1 344.418 4.326 50 0 EIAAMO c1coc([C@@H]2CCC[N@@H+]2Cc2cnc3c(-c4ccccc4)cnn3c2)c1 ZINC000067820743 215221373 /nfs/dbraw/zinc/22/13/73/215221373.db2.gz UDCMMVGNGXJYJB-IBGZPJMESA-N 1 1 344.418 4.326 50 0 EIAAMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nnc(-c3ccccc3)o2)cc1 ZINC000040460668 213306969 /nfs/dbraw/zinc/30/69/69/213306969.db2.gz NXCRAYXPFLFGND-SFHVURJKSA-N 1 1 335.407 4.082 50 0 EIAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2nnc(-c3ccccc3)o2)cc1 ZINC000040460668 213306971 /nfs/dbraw/zinc/30/69/71/213306971.db2.gz NXCRAYXPFLFGND-SFHVURJKSA-N 1 1 335.407 4.082 50 0 EIAAMO COc1ccc([C@H]2CCC[N@H+]2C[C@H](O)c2ccccc2Cl)cc1 ZINC000040105794 213265776 /nfs/dbraw/zinc/26/57/76/213265776.db2.gz ZTTLUDKOIBEDKQ-MOPGFXCFSA-N 1 1 331.843 4.219 50 0 EIAAMO CCC[N@H+](Cc1ccc(C)cc1C)C[C@H](O)COc1ccccc1C ZINC000036031621 213057235 /nfs/dbraw/zinc/05/72/35/213057235.db2.gz MOWCCCVBRGQBCM-NRFANRHFSA-N 1 1 341.495 4.264 50 0 EIAAMO CC[C@H](C)[N@H+](Cc1ccc(C)cc1)C[C@H](O)COc1ccccc1 ZINC000036031641 213057270 /nfs/dbraw/zinc/05/72/70/213057270.db2.gz XHPGQVSCFQFLCZ-ICSRJNTNSA-N 1 1 327.468 4.035 50 0 EIAAMO CC[C@@H](C)[N@H+](Cc1ccsc1)C[C@H](O)COc1ccccc1C ZINC000036031852 213056820 /nfs/dbraw/zinc/05/68/20/213056820.db2.gz VZFACIPARFSTJV-AEFFLSMTSA-N 1 1 333.497 4.097 50 0 EIAAMO c1coc(-c2cccc(C[N@@H+]3CCCN(Cc4ccncc4)CC3)c2)c1 ZINC000072149120 216036994 /nfs/dbraw/zinc/03/69/94/216036994.db2.gz GMVZRTFVGWCPIG-UHFFFAOYSA-N 1 1 347.462 4.050 50 0 EIAAMO c1coc(-c2cccc(CN3CCC[N@H+](Cc4ccncc4)CC3)c2)c1 ZINC000072149120 216036996 /nfs/dbraw/zinc/03/69/96/216036996.db2.gz GMVZRTFVGWCPIG-UHFFFAOYSA-N 1 1 347.462 4.050 50 0 EIAAMO c1coc(-c2cccc(CN3CCC[N@@H+](Cc4ccncc4)CC3)c2)c1 ZINC000072149120 216036998 /nfs/dbraw/zinc/03/69/98/216036998.db2.gz GMVZRTFVGWCPIG-UHFFFAOYSA-N 1 1 347.462 4.050 50 0 EIAAMO Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)Nc1cccc(C)c1C ZINC000072168860 216060215 /nfs/dbraw/zinc/06/02/15/216060215.db2.gz WLNILYIKDIWUMT-SFHVURJKSA-N 1 1 340.471 4.285 50 0 EIAAMO CC[C@@](C)([NH2+]CC(=O)N(c1ccccc1)C(C)C)c1nc(C)cs1 ZINC000072305291 216143915 /nfs/dbraw/zinc/14/39/15/216143915.db2.gz BNPITAOVXZXKGJ-LJQANCHMSA-N 1 1 345.512 4.108 50 0 EIAAMO c1cc2c(s1)CC[N@H+](Cc1c[nH]nc1-c1cc3ccccc3o1)C2 ZINC000023192459 212359713 /nfs/dbraw/zinc/35/97/13/212359713.db2.gz RBLBNWJSWGVPFJ-UHFFFAOYSA-N 1 1 335.432 4.443 50 0 EIAAMO COc1ccc(C[NH2+][C@H](C)c2ccccc2Cl)c(OC)c1OC ZINC000022781157 212324215 /nfs/dbraw/zinc/32/42/15/212324215.db2.gz QWBQVNHVNXXLCE-GFCCVEGCSA-N 1 1 335.831 4.217 50 0 EIAAMO c1sc(-c2ccccc2)nc1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022455064 212297592 /nfs/dbraw/zinc/29/75/92/212297592.db2.gz SUBIJFYEXXITCD-UHFFFAOYSA-N 1 1 349.503 4.128 50 0 EIAAMO Fc1ccc([C@H]2CCC[N@H+]2Cc2cnc(-c3ccccn3)nc2)cc1 ZINC000215905916 241153775 /nfs/dbraw/zinc/15/37/75/241153775.db2.gz YFOBINHLHRNNMB-LJQANCHMSA-N 1 1 334.398 4.015 50 0 EIAAMO Cn1ccnc1[C@H]1CCC[N@@H+](Cc2ccc3cccc(Cl)c3n2)C1 ZINC000216111649 241167735 /nfs/dbraw/zinc/16/77/35/241167735.db2.gz KLLQXYDMVSOXJS-HNNXBMFYSA-N 1 1 340.858 4.001 50 0 EIAAMO COc1ccccc1C1CC[NH+](Cc2csc(C(C)=O)c2)CC1 ZINC000216158801 241171704 /nfs/dbraw/zinc/17/17/04/241171704.db2.gz DAEPAMSBKCCRBJ-UHFFFAOYSA-N 1 1 329.465 4.339 50 0 EIAAMO COc1cccc([C@H]2CCC[N@@H+]2Cc2cc(CN(C)C)cs2)c1 ZINC000215409132 241123320 /nfs/dbraw/zinc/12/33/20/241123320.db2.gz WGYRJHAHDNXZBT-LJQANCHMSA-N 1 1 330.497 4.155 50 0 EIAAMO COc1cccc([C@H]2CCC[N@H+]2Cc2cc(CN(C)C)cs2)c1 ZINC000215409132 241123324 /nfs/dbraw/zinc/12/33/24/241123324.db2.gz WGYRJHAHDNXZBT-LJQANCHMSA-N 1 1 330.497 4.155 50 0 EIAAMO CCc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]2c2cc(C)on2)cc1 ZINC000021719985 212244566 /nfs/dbraw/zinc/24/45/66/212244566.db2.gz GNFBXEISBBEYMB-IBGZPJMESA-N 1 1 336.439 4.273 50 0 EIAAMO CCc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]2c2cc(C)on2)cc1 ZINC000021719985 212244569 /nfs/dbraw/zinc/24/45/69/212244569.db2.gz GNFBXEISBBEYMB-IBGZPJMESA-N 1 1 336.439 4.273 50 0 EIAAMO CCCCCNC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000020026993 212094499 /nfs/dbraw/zinc/09/44/99/212094499.db2.gz IPFAFWZYQVDDPF-UHFFFAOYSA-N 1 1 336.479 4.165 50 0 EIAAMO COc1cc(C[N@H+]2CCC[C@H](c3n[nH]cc3CC(C)C)C2)ccc1F ZINC000019837854 212073829 /nfs/dbraw/zinc/07/38/29/212073829.db2.gz QCZPOJIWCIMVMD-INIZCTEOSA-N 1 1 345.462 4.136 50 0 EIAAMO Cc1oc(-c2ccc3ccccc3c2)nc1C[N@H+](C)CCn1ccnc1 ZINC000019839800 212074654 /nfs/dbraw/zinc/07/46/54/212074654.db2.gz PGHTWOSVSZCABJ-UHFFFAOYSA-N 1 1 346.434 4.132 50 0 EIAAMO Cc1oc(-c2ccc3ccccc3c2)nc1C[N@@H+](C)CCn1ccnc1 ZINC000019839800 212074656 /nfs/dbraw/zinc/07/46/56/212074656.db2.gz PGHTWOSVSZCABJ-UHFFFAOYSA-N 1 1 346.434 4.132 50 0 EIAAMO [NH2+]=c1n(CCOc2ccccc2)c2ccccc2n1Cc1ccccc1 ZINC000019757650 212062553 /nfs/dbraw/zinc/06/25/53/212062553.db2.gz SWYHDLMPLNYQRF-UHFFFAOYSA-N 1 1 343.430 4.050 50 0 EIAAMO COc1cc(C[N@H+]2CCC[C@@H]2c2ccc(C)cc2)cc(OC)c1OC ZINC000015836758 211858800 /nfs/dbraw/zinc/85/88/00/211858800.db2.gz LVWAISJYXMWFBO-GOSISDBHSA-N 1 1 341.451 4.358 50 0 EIAAMO OC[C@@]1(CCc2ccccc2)CCC[N@@H+](CCCC(F)(F)F)C1 ZINC000012507317 211394388 /nfs/dbraw/zinc/39/43/88/211394388.db2.gz YXWZFJDIKZHRQM-QGZVFWFLSA-N 1 1 329.406 4.036 50 0 EIAAMO O=C(CSc1ccccc1)N[C@@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000012455626 211386435 /nfs/dbraw/zinc/38/64/35/211386435.db2.gz YKJSKIVKRQGNCL-QGZVFWFLSA-N 1 1 346.540 4.082 50 0 EIAAMO CC[N@@H+](CC=C(C)C)C[C@@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000012442648 211383070 /nfs/dbraw/zinc/38/30/70/211383070.db2.gz JHTMWRWEWLSFKH-FQEVSTJZSA-N 1 1 332.507 4.368 50 0 EIAAMO COC[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)C1 ZINC000012316294 211345055 /nfs/dbraw/zinc/34/50/55/211345055.db2.gz XNSOIFLKRNEHPJ-QGZVFWFLSA-N 1 1 347.462 4.212 50 0 EIAAMO CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccccc1-c1ccc(OC)cc1 ZINC000012199444 211318527 /nfs/dbraw/zinc/31/85/27/211318527.db2.gz HOHWMPCMYYABCF-FQEVSTJZSA-N 1 1 338.451 4.175 50 0 EIAAMO Clc1cccc(-c2noc(C[N@H+]3CC[C@@H]4CCCC[C@H]4C3)n2)c1 ZINC000012206819 211320602 /nfs/dbraw/zinc/32/06/02/211320602.db2.gz XPRHMSMGSWXMTI-ZFWWWQNUSA-N 1 1 331.847 4.402 50 0 EIAAMO Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2ccn(C3CCCC3)n2)cc1 ZINC000090547185 217937076 /nfs/dbraw/zinc/93/70/76/217937076.db2.gz KZIWOMTWDCZWHD-MRXNPFEDSA-N 1 1 349.482 4.343 50 0 EIAAMO CC(C)CC[N@H+]1CCOc2ccc([C@H](O)Cc3ccccc3)cc2C1 ZINC000012056735 211284998 /nfs/dbraw/zinc/28/49/98/211284998.db2.gz SESUMCSDUDVXQZ-OAQYLSRUSA-N 1 1 339.479 4.203 50 0 EIAAMO COCC[C@H]1CCCC[N@H+]1Cc1nc(-c2cccc(C)c2)oc1C ZINC000011718877 211240098 /nfs/dbraw/zinc/24/00/98/211240098.db2.gz FYERAAVSWLGYKM-GOSISDBHSA-N 1 1 328.456 4.349 50 0 EIAAMO CCOc1ccccc1-c1nc(C[N@H+]2CCCC[C@@H]2COC)c(C)o1 ZINC000011815046 211249818 /nfs/dbraw/zinc/24/98/18/211249818.db2.gz KANNDGAOGXSFSP-MRXNPFEDSA-N 1 1 344.455 4.050 50 0 EIAAMO CC(C)Cc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000011789668 211248070 /nfs/dbraw/zinc/24/80/70/211248070.db2.gz BTCAZSBHECJVBP-KRWDZBQOSA-N 1 1 336.483 4.469 50 0 EIAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cc(C)cc(C)c1 ZINC000011752829 211243137 /nfs/dbraw/zinc/24/31/37/211243137.db2.gz MGUDDHHQCQMLLE-FPOVZHCZSA-N 1 1 334.463 4.060 50 0 EIAAMO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000011612255 211225295 /nfs/dbraw/zinc/22/52/95/211225295.db2.gz MMIRJOKAHDIIIE-LVCYWYKZSA-N 1 1 339.479 4.071 50 0 EIAAMO Cc1ccc(C[N@@H+](C)CC(=O)N[C@@H](c2cccs2)C(C)C)cc1 ZINC000011210194 211209250 /nfs/dbraw/zinc/20/92/50/211209250.db2.gz HULSBZNBWXOFTK-LJQANCHMSA-N 1 1 330.497 4.002 50 0 EIAAMO Cc1ccc(C[N@H+](C)CC(=O)N[C@@H](c2cccs2)C(C)C)cc1 ZINC000011210194 211209253 /nfs/dbraw/zinc/20/92/53/211209253.db2.gz HULSBZNBWXOFTK-LJQANCHMSA-N 1 1 330.497 4.002 50 0 EIAAMO CC(=O)Nc1ccc(C(=O)[C@@H](C)[N@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000095351116 218286016 /nfs/dbraw/zinc/28/60/16/218286016.db2.gz LQHAXQKJRFKEHW-CXAGYDPISA-N 1 1 342.464 4.115 50 0 EIAAMO CC(C)c1ccc(C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)cc1 ZINC000095356142 218289051 /nfs/dbraw/zinc/28/90/51/218289051.db2.gz SDNZOAXASNOQOC-WIYYLYMNSA-N 1 1 340.511 4.147 50 0 EIAAMO C[C@H]([NH2+][C@@H](c1ccco1)c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000095419552 218359422 /nfs/dbraw/zinc/35/94/22/218359422.db2.gz VKEZCWVNJAYVBW-HRAATJIYSA-N 1 1 344.418 4.301 50 0 EIAAMO C[C@@H]([NH2+]Cc1cn2cc(Br)ccc2n1)c1ccsc1 ZINC000095420693 218362008 /nfs/dbraw/zinc/36/20/08/218362008.db2.gz UYSVOWPGRLCWSS-SNVBAGLBSA-N 1 1 336.258 4.009 50 0 EIAAMO CC(C)n1cc([C@H](C)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000095421354 218362717 /nfs/dbraw/zinc/36/27/17/218362717.db2.gz OQAGHVNAUXWCNE-DLBZAZTESA-N 1 1 346.544 4.088 50 0 EIAAMO CC(C)n1cc([C@H](C)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cn1 ZINC000095421354 218362722 /nfs/dbraw/zinc/36/27/22/218362722.db2.gz OQAGHVNAUXWCNE-DLBZAZTESA-N 1 1 346.544 4.088 50 0 EIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(Oc3ccccc3)c2)C1 ZINC000004978031 210346674 /nfs/dbraw/zinc/34/66/74/210346674.db2.gz LWFQOCDKPRJZQE-GOSISDBHSA-N 1 1 339.435 4.254 50 0 EIAAMO CCSCCc1nc([C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)no1 ZINC000299774930 258085631 /nfs/dbraw/zinc/08/56/31/258085631.db2.gz JEDKLWGGXUTYNB-BBWFWOEESA-N 1 1 343.496 4.058 50 0 EIAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)Nc1c(Cl)cccc1Cl ZINC000002171837 258049591 /nfs/dbraw/zinc/04/95/91/258049591.db2.gz OAAGFPCQIUVWSN-GFCCVEGCSA-N 1 1 344.286 4.379 50 0 EIAAMO c1ccc(Cc2nc([C@H]3C[C@@H](c4ccccc4)[N@H+]4CCC[C@H]34)no2)cc1 ZINC000299768428 258082601 /nfs/dbraw/zinc/08/26/01/258082601.db2.gz VCBNILFPGXSXNK-ZCNNSNEGSA-N 1 1 345.446 4.353 50 0 EIAAMO CCOc1ccc(C[NH+]2CCN(c3ccccc3Cl)CC2)cc1 ZINC000055543273 132195616 /nfs/dbraw/zinc/19/56/16/132195616.db2.gz KZKFGNCNNHXMEL-UHFFFAOYSA-N 1 1 330.859 4.061 50 0 EIAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000000237467 563264058 /nfs/dbraw/zinc/26/40/58/563264058.db2.gz SBRUMGZRIDBGMG-CQSZACIVSA-N 1 1 343.298 4.074 50 0 EIAAMO CC(C)(C)Nc1c(-c2ccncc2)[nH+]c2ccc(Br)cn21 ZINC000001304704 563383088 /nfs/dbraw/zinc/38/30/88/563383088.db2.gz ATRDXJAKYCEFGZ-UHFFFAOYSA-N 1 1 345.244 4.369 50 0 EIAAMO O=C(c1ccc(C(F)(F)F)cc1)c1cccc(C[NH+]2CC=CC2)c1 ZINC000002515410 563436664 /nfs/dbraw/zinc/43/66/64/563436664.db2.gz ZHNDQECJRXXWTQ-UHFFFAOYSA-N 1 1 331.337 4.308 50 0 EIAAMO Cc1ccc(C[NH2+][C@@H](C)c2cnc(N3CCCCCCC3)nc2C)o1 ZINC000012594338 563664689 /nfs/dbraw/zinc/66/46/89/563664689.db2.gz YSKFTIPLAZEPJM-INIZCTEOSA-N 1 1 342.487 4.308 50 0 EIAAMO OC[C@@]1(Cc2cccc(Cl)c2)CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012714078 563668646 /nfs/dbraw/zinc/66/86/46/563668646.db2.gz CDUBNQKRKHMBBP-HXUWFJFHSA-N 1 1 347.861 4.296 50 0 EIAAMO COc1ccccc1C[NH2+]Cc1ccc(-c2ccc([C@H](C)O)cc2)o1 ZINC000013720692 563716504 /nfs/dbraw/zinc/71/65/04/563716504.db2.gz 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CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccc(OC)cc2)cc1OC ZINC000015837050 564076420 /nfs/dbraw/zinc/07/64/20/564076420.db2.gz XMBMKWMVSZWXSG-IBGZPJMESA-N 1 1 341.451 4.440 50 0 EIAAMO CCC[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)c2cc(C)ccc2[nH]1 ZINC000015862267 564077005 /nfs/dbraw/zinc/07/70/05/564077005.db2.gz AXAZGIWNPMMAHL-UHFFFAOYSA-N 1 1 338.426 4.388 50 0 EIAAMO CCOc1ccc(C[N@@H+](C)Cc2cc(=O)oc3cc(C)ccc23)cc1 ZINC000012921242 564078366 /nfs/dbraw/zinc/07/83/66/564078366.db2.gz NYYSBJHDLXZDPF-UHFFFAOYSA-N 1 1 337.419 4.132 50 0 EIAAMO CC(C)C[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccs1 ZINC000075314087 564081836 /nfs/dbraw/zinc/08/18/36/564081836.db2.gz PNCKIKRPDOMCKT-HMQMGEFJSA-N 1 1 349.544 4.150 50 0 EIAAMO CCCCCC(=O)Nc1cccc(Cl)c1N1CC[NH+](CC)CC1 ZINC000006417578 564085611 /nfs/dbraw/zinc/08/56/11/564085611.db2.gz AZYREZUHHAFUIJ-UHFFFAOYSA-N 1 1 337.895 4.001 50 0 EIAAMO COc1ccc(CN2CC[N@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)cc1C ZINC000240163544 564088248 /nfs/dbraw/zinc/08/82/48/564088248.db2.gz 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347.418 4.293 50 0 EIAAMO C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000071873501 564176265 /nfs/dbraw/zinc/17/62/65/564176265.db2.gz WULCPTDZWCVKEF-OAHLLOKOSA-N 1 1 347.418 4.293 50 0 EIAAMO COc1ccc(Oc2cc(C[NH2+][C@@H](C)c3ccccn3)ccn2)cc1 ZINC000158688304 1026903859 /nfs/dbraw/zinc/90/38/59/1026903859.db2.gz VZLZJAFYCULNKJ-HNNXBMFYSA-N 1 1 335.407 4.128 50 0 EIAAMO Cc1nc([C@@H](C)[N@H+]2CC[C@]3(CCOC3)C2)oc1-c1ccc(Cl)cc1 ZINC000089557957 1040259100 /nfs/dbraw/zinc/25/91/00/1040259100.db2.gz GZBBSPDLFBKPEA-KUHUBIRLSA-N 1 1 346.858 4.477 50 0 EIAAMO c1cc2c(o1)CCC[N@H+](Cc1ccccc1OCc1cccnc1)C2 ZINC000809792442 1040274301 /nfs/dbraw/zinc/27/43/01/1040274301.db2.gz VWRYYXFEKSUPSN-UHFFFAOYSA-N 1 1 334.419 4.202 50 0 EIAAMO c1ccc(OCc2noc(C[N@H+]3CC[C@@H](C4CCCCC4)C3)n2)cc1 ZINC000011934731 1043756308 /nfs/dbraw/zinc/75/63/08/1043756308.db2.gz IFZYJCGFVUXDFS-QGZVFWFLSA-N 1 1 341.455 4.051 50 0 EIAAMO Cc1ccc(C(=O)NCCc2[nH+]cc(C)n2C2CCCCCC2)s1 ZINC000575316690 1045212223 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CCCCC1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000020407102 212125748 /nfs/dbraw/zinc/12/57/48/212125748.db2.gz BPMQKHZPLOLKDP-UHFFFAOYSA-N 1 1 342.527 4.327 50 0 EIAAMO Clc1ccc2c(c1)C(Cl)=C(C[NH+]1CCSCC1)CS2 ZINC000020223817 212113624 /nfs/dbraw/zinc/11/36/24/212113624.db2.gz HQDZSDRNWNKYCE-UHFFFAOYSA-N 1 1 332.321 4.444 50 0 EIAAMO c1ccc(C[NH+]2CCN([C@H]3CCCSc4ccccc43)CC2)cc1 ZINC000019802136 212070170 /nfs/dbraw/zinc/07/01/70/212070170.db2.gz DWOMXKJFILUXON-FQEVSTJZSA-N 1 1 338.520 4.431 50 0 EIAAMO CC(C)Cc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccc(O)c(Cl)c2)C1 ZINC000019742630 212060664 /nfs/dbraw/zinc/06/06/64/212060664.db2.gz LTSFYNVHZVHYLM-OAHLLOKOSA-N 1 1 347.890 4.347 50 0 EIAAMO CC(C)Cc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000019609097 212051852 /nfs/dbraw/zinc/05/18/52/212051852.db2.gz JRHYYUJFSBNERP-CQSZACIVSA-N 1 1 333.426 4.266 50 0 EIAAMO Cc1cc(C[NH2+][C@@H](C)c2cnn(-c3cccc(F)c3)c2C)oc1C ZINC000012385336 211362836 /nfs/dbraw/zinc/36/28/36/211362836.db2.gz 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O=C([C@H]1CCC[N@@H+](Cc2cccc3ccccc32)C1)N1CCCCC1 ZINC000004746200 210269364 /nfs/dbraw/zinc/26/93/64/210269364.db2.gz DKAZKQVGVCZXNP-FQEVSTJZSA-N 1 1 336.479 4.064 50 0 EIAAMO CCOc1ccccc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000055543520 132195538 /nfs/dbraw/zinc/19/55/38/132195538.db2.gz PUBBQUARILEKMY-UHFFFAOYSA-N 1 1 330.859 4.061 50 0 EIAAMO C[C@H](NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1cncc(F)c1 ZINC000164996605 226106045 /nfs/dbraw/zinc/10/60/45/226106045.db2.gz QNWGPYRIGBWJJF-DEYYWGMASA-N 1 1 333.476 4.016 50 0 EIAAMO C[C@H](NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1cncc(F)c1 ZINC000164996605 226106048 /nfs/dbraw/zinc/10/60/48/226106048.db2.gz QNWGPYRIGBWJJF-DEYYWGMASA-N 1 1 333.476 4.016 50 0 EIAAMO CCS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C)C1 ZINC000072305257 563914748 /nfs/dbraw/zinc/91/47/48/563914748.db2.gz CLZCHNXWRMROKB-HUUCEWRRSA-N 1 1 340.920 4.193 50 0 EIAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000000236053 563264124 /nfs/dbraw/zinc/26/41/24/563264124.db2.gz OVZJXOAJPLUSBA-AWEZNQCLSA-N 1 1 343.298 4.074 50 0 EIAAMO CSc1ccccc1C(=O)c1cccc(C[NH+]2CCSCC2)c1 ZINC000002515280 563436330 /nfs/dbraw/zinc/43/63/30/563436330.db2.gz UFTCKEAEUOPAEW-UHFFFAOYSA-N 1 1 343.517 4.188 50 0 EIAAMO CCCCCC(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(Cl)c1 ZINC000002592963 563443824 /nfs/dbraw/zinc/44/38/24/563443824.db2.gz YYYAVCKEQQNXIB-UHFFFAOYSA-N 1 1 337.895 4.001 50 0 EIAAMO CCCCOc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000004980634 563517065 /nfs/dbraw/zinc/51/70/65/563517065.db2.gz AYOXQXKPWUYVDX-UHFFFAOYSA-N 1 1 342.458 4.327 50 0 EIAAMO COc1ccc(-c2nc(C[N@H+]3C[C@H]4C[C@@H]3CCC4)c(C)o2)cc1OC ZINC000012747028 563670085 /nfs/dbraw/zinc/67/00/85/563670085.db2.gz WEFJKZWIDJTRMJ-ZBFHGGJFSA-N 1 1 342.439 4.042 50 0 EIAAMO CCc1cccc2c(C(=O)C[N@@H+]3CCC[C@H]3c3cccn3C)c[nH]c21 ZINC000012795257 563672778 /nfs/dbraw/zinc/67/27/78/563672778.db2.gz VZWUMMUTIDTFQE-IBGZPJMESA-N 1 1 335.451 4.089 50 0 EIAAMO CCc1cccc2c(C(=O)C[N@H+]3CCC[C@H]3c3cccn3C)c[nH]c21 ZINC000012795257 563672780 /nfs/dbraw/zinc/67/27/80/563672780.db2.gz VZWUMMUTIDTFQE-IBGZPJMESA-N 1 1 335.451 4.089 50 0 EIAAMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2cc(C)ccc2OC)c1 ZINC000032751516 563724361 /nfs/dbraw/zinc/72/43/61/563724361.db2.gz KLAZYOKTYBJMDQ-IBGZPJMESA-N 1 1 341.451 4.358 50 0 EIAAMO C[NH+](C)[C@@H](CNc1ncnc2ccsc21)c1ccccc1Cl ZINC000014123772 563743226 /nfs/dbraw/zinc/74/32/26/563743226.db2.gz FBLVADMIRHDNKC-AWEZNQCLSA-N 1 1 332.860 4.060 50 0 EIAAMO CCC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000015078612 563776855 /nfs/dbraw/zinc/77/68/55/563776855.db2.gz KHSCJQGTMYZBEN-SFHVURJKSA-N 1 1 336.479 4.205 50 0 EIAAMO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1ccc2ccccc2c1 ZINC000015306409 563781879 /nfs/dbraw/zinc/78/18/79/563781879.db2.gz YQZUQXJAGJQTOU-GOSISDBHSA-N 1 1 346.474 4.491 50 0 EIAAMO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000015306409 563781883 /nfs/dbraw/zinc/78/18/83/563781883.db2.gz 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Cc1c2cc(C)cc(CNc3cc(N)[nH+]cn3)c2[nH]c1-c1ccccc1 ZINC000071551627 563964565 /nfs/dbraw/zinc/96/45/65/563964565.db2.gz VJFNUEOFNKWRAM-UHFFFAOYSA-N 1 1 343.434 4.436 50 0 EIAAMO Cc1c2cc(C)cc(CNc3cc(N)nc[nH+]3)c2[nH]c1-c1ccccc1 ZINC000071551627 563964566 /nfs/dbraw/zinc/96/45/66/563964566.db2.gz VJFNUEOFNKWRAM-UHFFFAOYSA-N 1 1 343.434 4.436 50 0 EIAAMO Cc1ccc(F)c(-c2nccn2Cc2c[nH+]cn2C2CC2)c1Cl ZINC000082086619 563972029 /nfs/dbraw/zinc/97/20/29/563972029.db2.gz HZDRJROULZDQKU-UHFFFAOYSA-N 1 1 330.794 4.231 50 0 EIAAMO O=C(c1ccc(C[NH+]2CCSCC2)cc1)c1cc(F)cc(Cl)c1 ZINC000085651288 563973878 /nfs/dbraw/zinc/97/38/78/563973878.db2.gz IJMJBVBSFMQJEU-UHFFFAOYSA-N 1 1 349.858 4.259 50 0 EIAAMO c1ccc(C2(c3ccccc3)CCC[N@H+](Cc3ncccn3)C2)cc1 ZINC000095505515 563977146 /nfs/dbraw/zinc/97/71/46/563977146.db2.gz DEYPTFIDQKGIIX-UHFFFAOYSA-N 1 1 329.447 4.059 50 0 EIAAMO Cc1ccc(Cl)cc1NC(=S)N1CCC([N@H+](C)C(C)C)CC1 ZINC000000260955 563989910 /nfs/dbraw/zinc/98/99/10/563989910.db2.gz UYHRTPKWPCLNKX-UHFFFAOYSA-N 1 1 339.936 4.150 50 0 EIAAMO C[C@@H]1C[C@H](C)C[N@@H+]([C@H](C(=O)NC2CCCCC2)c2ccccc2)C1 ZINC000033870779 563996521 /nfs/dbraw/zinc/99/65/21/563996521.db2.gz VXGAVIRQFRIIMO-QKLQHJQFSA-N 1 1 328.500 4.155 50 0 EIAAMO C[N@@H+](Cc1ccc2c[nH]nc2c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273510741 564007792 /nfs/dbraw/zinc/00/77/92/564007792.db2.gz QXAKRJUXUJCLIM-UYAOXDASSA-N 1 1 339.414 4.054 50 0 EIAAMO COc1ccc(Cl)cc1NC(=O)CC[N@@H+](CCC(C)C)C1CC1 ZINC000048354051 564031294 /nfs/dbraw/zinc/03/12/94/564031294.db2.gz UYPHDAZOCDHIOY-UHFFFAOYSA-N 1 1 338.879 4.188 50 0 EIAAMO CC(C)[C@@H]([NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1)c1cccs1 ZINC000029189880 564047757 /nfs/dbraw/zinc/04/77/57/564047757.db2.gz NSSVHGLBYYNARI-MRXNPFEDSA-N 1 1 347.871 4.125 50 0 EIAAMO FC(F)(F)c1cccc(C[NH2+]Cc2c(Cl)nc3ccccn32)c1 ZINC000084606553 564069060 /nfs/dbraw/zinc/06/90/60/564069060.db2.gz RUNOUHHTYAWMOG-UHFFFAOYSA-N 1 1 339.748 4.296 50 0 EIAAMO CC(C)c1ccc(C[N@H+](C)[C@H](C(=O)NC2CC2)c2ccccc2)cc1 ZINC000012873407 564076601 /nfs/dbraw/zinc/07/66/01/564076601.db2.gz JTDTUMBFVPETHW-NRFANRHFSA-N 1 1 336.479 4.262 50 0 EIAAMO CC(C)c1ccc(C[N@@H+](C)[C@H](C(=O)NC2CC2)c2ccccc2)cc1 ZINC000012873407 564076602 /nfs/dbraw/zinc/07/66/02/564076602.db2.gz JTDTUMBFVPETHW-NRFANRHFSA-N 1 1 336.479 4.262 50 0 EIAAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cccc(Cl)c2)cc1 ZINC000012916816 564078068 /nfs/dbraw/zinc/07/80/68/564078068.db2.gz WMCHPEIGFDYHOG-GOSISDBHSA-N 1 1 344.842 4.124 50 0 EIAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2cccc(Cl)c2)cc1 ZINC000012916816 564078069 /nfs/dbraw/zinc/07/80/69/564078069.db2.gz WMCHPEIGFDYHOG-GOSISDBHSA-N 1 1 344.842 4.124 50 0 EIAAMO Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2nc(C3CC3)cs2)cc1 ZINC000090458965 564084464 /nfs/dbraw/zinc/08/44/64/564084464.db2.gz LLKPSAGNYNQGNE-ZDUSSCGKSA-N 1 1 338.480 4.365 50 0 EIAAMO C[C@H]([NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000013019100 564086865 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Cc1ccc(C[N@H+]2CCCC[C@@H]2c2nc(-c3cccnc3)no2)cc1 ZINC000065286078 564104430 /nfs/dbraw/zinc/10/44/30/564104430.db2.gz VUQNIVLHRFMINE-GOSISDBHSA-N 1 1 334.423 4.167 50 0 EIAAMO CSc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(F)cc2)cc1 ZINC000007266943 564106156 /nfs/dbraw/zinc/10/61/56/564106156.db2.gz AVXZIECPWRJRCC-ZDUSSCGKSA-N 1 1 332.444 4.007 50 0 EIAAMO CSc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(F)cc2)cc1 ZINC000007266943 564106157 /nfs/dbraw/zinc/10/61/57/564106157.db2.gz AVXZIECPWRJRCC-ZDUSSCGKSA-N 1 1 332.444 4.007 50 0 EIAAMO Oc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(Cl)cc3c2OCOC3)cc1 ZINC000065610189 564108295 /nfs/dbraw/zinc/10/82/95/564108295.db2.gz VSILUFYMINYCGM-SFHVURJKSA-N 1 1 345.826 4.249 50 0 EIAAMO Oc1ccc([C@@H]2CCC[N@H+]2Cc2cc(Cl)cc3c2OCOC3)cc1 ZINC000065610189 564108296 /nfs/dbraw/zinc/10/82/96/564108296.db2.gz VSILUFYMINYCGM-SFHVURJKSA-N 1 1 345.826 4.249 50 0 EIAAMO COC(=O)c1cc(C[N@H+]2CCC[C@@H]2c2ccc(C)c(C)c2)oc1C ZINC000170593954 564108973 /nfs/dbraw/zinc/10/89/73/564108973.db2.gz MYCAEKZZFUQCHT-LJQANCHMSA-N 1 1 327.424 4.329 50 0 EIAAMO CCn1c2ccc(C)cc2[nH+]c1NCc1ccccc1OCCOC ZINC000170595989 564109077 /nfs/dbraw/zinc/10/90/77/564109077.db2.gz HQCHCKIKVPPWSX-UHFFFAOYSA-N 1 1 339.439 4.002 50 0 EIAAMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000170601623 564109342 /nfs/dbraw/zinc/10/93/42/564109342.db2.gz AZNDSWXVZQQKBH-OXQOHEQNSA-N 1 1 346.434 4.247 50 0 EIAAMO CC(=O)Nc1cc(N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)ccc1F ZINC000089785058 564113760 /nfs/dbraw/zinc/11/37/60/564113760.db2.gz DDCCHXWVFAHEHD-KDOFPFPSSA-N 1 1 341.430 4.032 50 0 EIAAMO CC(C)[N@H+](Cc1ccccc1)C[C@H](O)COc1cccc2ccccc21 ZINC000017113371 564116454 /nfs/dbraw/zinc/11/64/54/564116454.db2.gz DIJUYSHEKLLUFO-NRFANRHFSA-N 1 1 349.474 4.490 50 0 EIAAMO C[N@@H+](Cc1ccncc1Cl)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000348807732 564120647 /nfs/dbraw/zinc/12/06/47/564120647.db2.gz JYPCLZQOMKZVJK-FUHWJXTLSA-N 1 1 334.822 4.226 50 0 EIAAMO Cc1ccc(C)c(NC(=O)C[N@H+](Cc2ccc(F)cc2)C2CC2)c1 ZINC000007788355 564123325 /nfs/dbraw/zinc/12/33/25/564123325.db2.gz QRFHTGRPAWDYJL-UHFFFAOYSA-N 1 1 326.415 4.046 50 0 EIAAMO Cc1ccc(C)c(NC(=O)C[N@@H+](Cc2ccc(F)cc2)C2CC2)c1 ZINC000007788355 564123326 /nfs/dbraw/zinc/12/33/26/564123326.db2.gz QRFHTGRPAWDYJL-UHFFFAOYSA-N 1 1 326.415 4.046 50 0 EIAAMO Cc1nnc([C@H]2CCC[N@@H+](Cc3cccc(-c4ccccc4)c3)C2)[nH]1 ZINC000355173123 564133928 /nfs/dbraw/zinc/13/39/28/564133928.db2.gz JADOKJXIZHFFKH-FQEVSTJZSA-N 1 1 332.451 4.160 50 0 EIAAMO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3cccc(-c4ccccc4)c3)C2)n1 ZINC000355173123 564133929 /nfs/dbraw/zinc/13/39/29/564133929.db2.gz JADOKJXIZHFFKH-FQEVSTJZSA-N 1 1 332.451 4.160 50 0 EIAAMO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3cccc(-c4ccccc4)c3)C2)n1 ZINC000355173123 564133930 /nfs/dbraw/zinc/13/39/30/564133930.db2.gz JADOKJXIZHFFKH-FQEVSTJZSA-N 1 1 332.451 4.160 50 0 EIAAMO Cc1nc([C@H]2CCC[N@H+](Cc3cccc(-c4ccccc4)c3)C2)n[nH]1 ZINC000355173123 564133931 /nfs/dbraw/zinc/13/39/31/564133931.db2.gz JADOKJXIZHFFKH-FQEVSTJZSA-N 1 1 332.451 4.160 50 0 EIAAMO Cc1nc([C@H]2CCC[N@@H+](Cc3cccc(-c4ccccc4)c3)C2)n[nH]1 ZINC000355173123 564133932 /nfs/dbraw/zinc/13/39/32/564133932.db2.gz JADOKJXIZHFFKH-FQEVSTJZSA-N 1 1 332.451 4.160 50 0 EIAAMO CC(C)C(=O)OC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000078822716 564137249 /nfs/dbraw/zinc/13/72/49/564137249.db2.gz UPXITFPVTSHUBP-GOEBONIOSA-N 1 1 343.389 4.288 50 0 EIAAMO [NH2+]=c1n(CCc2ccccc2)c2ccccc2n1CCc1ccccc1 ZINC000019901287 564138243 /nfs/dbraw/zinc/13/82/43/564138243.db2.gz DDLQOTAOLAPZKV-UHFFFAOYSA-N 1 1 341.458 4.408 50 0 EIAAMO CC[N@@H+]1Cc2cccc(NC(=O)c3cccc4c(C)c(C)[nH]c43)c2C1 ZINC000095464966 564140958 /nfs/dbraw/zinc/14/09/58/564140958.db2.gz MSCMRXPPGQSBRK-UHFFFAOYSA-N 1 1 333.435 4.373 50 0 EIAAMO CC[N@H+]1Cc2cccc(NC(=O)c3cccc4c(C)c(C)[nH]c43)c2C1 ZINC000095464966 564140959 /nfs/dbraw/zinc/14/09/59/564140959.db2.gz MSCMRXPPGQSBRK-UHFFFAOYSA-N 1 1 333.435 4.373 50 0 EIAAMO CCc1cnc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)s1 ZINC000095968990 564143328 /nfs/dbraw/zinc/14/33/28/564143328.db2.gz JFAQBXBPEXRCND-OLZOCXBDSA-N 1 1 345.468 4.074 50 0 EIAAMO c1ccc([C@H]2CCc3nc(C[N@@H+]4CCCSCC4)sc3C2)cc1 ZINC000096003599 564144441 /nfs/dbraw/zinc/14/44/41/564144441.db2.gz WEVDSMHHZQZKNC-INIZCTEOSA-N 1 1 344.549 4.355 50 0 EIAAMO c1ccc([C@H]2CCc3nc(C[N@H+]4CCCSCC4)sc3C2)cc1 ZINC000096003599 564144442 /nfs/dbraw/zinc/14/44/42/564144442.db2.gz WEVDSMHHZQZKNC-INIZCTEOSA-N 1 1 344.549 4.355 50 0 EIAAMO Cc1ccc(/C=C\C(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)cc1 ZINC000096158037 564145810 /nfs/dbraw/zinc/14/58/10/564145810.db2.gz SYNXLNYFDOEHGB-SEYXRHQNSA-N 1 1 348.490 4.051 50 0 EIAAMO Cc1ccc([C@H](C(=O)NC2CCCCC2)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000096319694 564146765 /nfs/dbraw/zinc/14/67/65/564146765.db2.gz VDERFUJMNKLXHF-LVCYWYKZSA-N 1 1 342.527 4.463 50 0 EIAAMO CCn1nc(C)c(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1C ZINC000096489628 564148722 /nfs/dbraw/zinc/14/87/22/564148722.db2.gz SDNGPPJGHXBTAY-INIZCTEOSA-N 1 1 338.455 4.041 50 0 EIAAMO Clc1ccc(-c2nc(C[NH+]3CCC(c4cn[nH]c4)CC3)co2)cc1 ZINC000097202936 564149554 /nfs/dbraw/zinc/14/95/54/564149554.db2.gz OKKYZFRPMUYJHS-UHFFFAOYSA-N 1 1 342.830 4.098 50 0 EIAAMO Cc1ccc([C@@H](C(=O)NC2CCCC2)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000058012595 564157190 /nfs/dbraw/zinc/15/71/90/564157190.db2.gz RWNXKLSXBTXDBA-QKLQHJQFSA-N 1 1 328.500 4.073 50 0 EIAAMO COc1ccc2c(c1)C=C(C[N@H+]1CCCC[C@@H]1c1ccccn1)CO2 ZINC000670460436 564161046 /nfs/dbraw/zinc/16/10/46/564161046.db2.gz GGYCKLCUIBTGDW-HXUWFJFHSA-N 1 1 336.435 4.093 50 0 EIAAMO Clc1ccc(C[NH+]2CCN(c3ccc4ccccc4n3)CC2)cc1 ZINC000007979974 564161688 /nfs/dbraw/zinc/16/16/88/564161688.db2.gz OYAQLWBFUGENMD-UHFFFAOYSA-N 1 1 337.854 4.210 50 0 EIAAMO CC[N@H+](Cc1nc(-c2cccnc2)no1)[C@H](C)c1cc2ccccc2o1 ZINC000067458352 564165942 /nfs/dbraw/zinc/16/59/42/564165942.db2.gz TZGNHUMUBFGJKU-CQSZACIVSA-N 1 1 348.406 4.461 50 0 EIAAMO CC[N@@H+](Cc1nc(-c2cccnc2)no1)[C@H](C)c1cc2ccccc2o1 ZINC000067458352 564165943 /nfs/dbraw/zinc/16/59/43/564165943.db2.gz TZGNHUMUBFGJKU-CQSZACIVSA-N 1 1 348.406 4.461 50 0 EIAAMO Cc1cc(C)c2[nH]c(C)c(C[N@H+]3CCc4ccccc4C3)c(=O)c2c1 ZINC000008717570 564166838 /nfs/dbraw/zinc/16/68/38/564166838.db2.gz ZREGDZOGLRGNPO-UHFFFAOYSA-N 1 1 332.447 4.424 50 0 EIAAMO Cc1[nH]c2ccccc2c1C(=O)[C@H](C)[N@H+]1CCC[C@@H]1c1cccn1C ZINC000008723659 564166966 /nfs/dbraw/zinc/16/69/66/564166966.db2.gz QRSBEGZJEAHYSN-HNAYVOBHSA-N 1 1 335.451 4.223 50 0 EIAAMO Cc1[nH+]ccn1[C@H]1CCCN(C(=O)CCCc2ccc(Cl)cc2)C1 ZINC000069810220 564172280 /nfs/dbraw/zinc/17/22/80/564172280.db2.gz WCXGNPZTNSZCBW-SFHVURJKSA-N 1 1 345.874 4.031 50 0 EIAAMO Cc1cc(C)n2cc(C[N@@H+](C)Cc3csc4ccccc34)nc2n1 ZINC000076990809 564176584 /nfs/dbraw/zinc/17/65/84/564176584.db2.gz PCMLVXYNEHZZIW-UHFFFAOYSA-N 1 1 336.464 4.193 50 0 EIAAMO Cc1cc(C)n2cc(C[N@H+](C)Cc3csc4ccccc34)nc2n1 ZINC000076990809 564176585 /nfs/dbraw/zinc/17/65/85/564176585.db2.gz PCMLVXYNEHZZIW-UHFFFAOYSA-N 1 1 336.464 4.193 50 0 EIAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000015836662 568420126 /nfs/dbraw/zinc/42/01/26/568420126.db2.gz FFGLAMQDENMIQX-GOSISDBHSA-N 1 1 329.827 4.464 50 0 EIAAMO