smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@H](NCc1ccc([C@@H](C)[NH3+])cc1)c1cccc([N+](=O)[O-])c1 ZINC000423295154 1038122991 /nfs/dbraw/zinc/12/29/91/1038122991.db2.gz WFPLHMZHVWVCQO-KUHUBIRLSA-N 1 3 327.428 4.246 20 5 EIBDHO Cc1c([C@H](C)N[C@H](CCC[NH3+])c2ccccc2)cccc1[N+](=O)[O-] ZINC000423499333 1038255869 /nfs/dbraw/zinc/25/58/69/1038255869.db2.gz JKFSFJGEMCHWHH-MAUKXSAKSA-N 1 3 327.428 4.034 20 5 EIBDHO CC[NH+](CC)Cc1cccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178646784 1027083767 /nfs/dbraw/zinc/08/37/67/1027083767.db2.gz IXUJBQQVUAKNBX-INIZCTEOSA-N 1 3 341.455 4.287 20 5 EIBDHO CC[NH+](CC)CC1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000485720830 1036206552 /nfs/dbraw/zinc/20/65/52/1036206552.db2.gz YSXCGCXBNLRRDA-INIZCTEOSA-N 1 3 333.476 4.018 20 5 EIBDHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000123942588 1023741883 /nfs/dbraw/zinc/74/18/83/1023741883.db2.gz JZPXGLKTDXUDMI-MRXNPFEDSA-N 1 3 341.455 4.206 20 5 EIBDHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000123942588 1023741891 /nfs/dbraw/zinc/74/18/91/1023741891.db2.gz JZPXGLKTDXUDMI-MRXNPFEDSA-N 1 3 341.455 4.206 20 5 EIBDHO CCCC[N@H+](C)CC1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000506947878 1026560067 /nfs/dbraw/zinc/56/00/67/1026560067.db2.gz VHCCONMTPFFFKV-CLFYSBASSA-N 1 3 345.487 4.052 20 5 EIBDHO CCCC[N@@H+](C)CC1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000506947878 1026560082 /nfs/dbraw/zinc/56/00/82/1026560082.db2.gz VHCCONMTPFFFKV-CLFYSBASSA-N 1 3 345.487 4.052 20 5 EIBDHO CCCCN1CCC([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433174710 1033986968 /nfs/dbraw/zinc/98/69/68/1033986968.db2.gz KCIAKLUAWAURJJ-LJQANCHMSA-N 1 3 345.487 4.171 20 5 EIBDHO Cc1ccc([C@H](C)N[C@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000423505315 1038257015 /nfs/dbraw/zinc/25/70/15/1038257015.db2.gz OKPBLAHKUDBHPT-MAUKXSAKSA-N 1 3 327.428 4.034 20 5 EIBDHO CC[C@@H](NCc1cccc(C[N@H+](C)CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000123965027 1044810458 /nfs/dbraw/zinc/81/04/58/1044810458.db2.gz PQYYMCSTKVICSW-HXUWFJFHSA-N 1 3 341.455 4.287 20 5 EIBDHO CC[C@@H](NCc1cccc(C[N@@H+](C)CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000123965027 1044810459 /nfs/dbraw/zinc/81/04/59/1044810459.db2.gz PQYYMCSTKVICSW-HXUWFJFHSA-N 1 3 341.455 4.287 20 5 EIBDHO C[C@H](CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000379635506 1021846206 /nfs/dbraw/zinc/84/62/06/1021846206.db2.gz WFWVNABPEOQOKJ-SJORKVTESA-N 1 3 341.455 4.156 20 5 EIBDHO CC(C)c1ccc(CNCc2ccc([C@@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000414814312 1023340440 /nfs/dbraw/zinc/34/04/40/1023340440.db2.gz VFIDNVASHKOVLP-CQSZACIVSA-N 1 3 327.428 4.028 20 5 EIBDHO CCC[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000119864716 1026212782 /nfs/dbraw/zinc/21/27/82/1026212782.db2.gz AEXRGKQINKOZPW-GOSISDBHSA-N 1 3 333.476 4.289 20 5 EIBDHO C[C@H]([NH3+])c1ccc(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000423289839 1038097526 /nfs/dbraw/zinc/09/75/26/1038097526.db2.gz BRBFJWCCOSMCRD-DJJJIMSYSA-N 1 3 339.439 4.127 20 5 EIBDHO C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(C[NH+](C)C)c1 ZINC000924798473 1041489832 /nfs/dbraw/zinc/48/98/32/1041489832.db2.gz OAFBBUAOVYQVGB-GJZGRUSLSA-N 1 3 327.428 4.068 20 5 EIBDHO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443602451 1042118003 /nfs/dbraw/zinc/11/80/03/1042118003.db2.gz PEDLOZGKBZTDET-KRWDZBQOSA-N 1 3 345.487 4.244 20 5 EIBDHO CC(C)c1ccc(CN[C@@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000415051266 1023409797 /nfs/dbraw/zinc/40/97/97/1023409797.db2.gz JIDVPBICWLSIND-IBGZPJMESA-N 1 3 341.455 4.288 20 5 EIBDHO CC[NH+](CC)Cc1cccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178646799 1027084298 /nfs/dbraw/zinc/08/42/98/1027084298.db2.gz IXUJBQQVUAKNBX-MRXNPFEDSA-N 1 3 341.455 4.287 20 5 EIBDHO Cc1c([C@@H](C)N[C@H](CCC[NH3+])c2ccccc2)cccc1[N+](=O)[O-] ZINC000423499322 1038254049 /nfs/dbraw/zinc/25/40/49/1038254049.db2.gz JKFSFJGEMCHWHH-CRAIPNDOSA-N 1 3 327.428 4.034 20 5 EIBDHO CCCC[N@H+](C)CC1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000506947880 1026561695 /nfs/dbraw/zinc/56/16/95/1026561695.db2.gz VHCCONMTPFFFKV-VQHVLOKHSA-N 1 3 345.487 4.052 20 5 EIBDHO CCCC[N@@H+](C)CC1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000506947880 1026561708 /nfs/dbraw/zinc/56/17/08/1026561708.db2.gz VHCCONMTPFFFKV-VQHVLOKHSA-N 1 3 345.487 4.052 20 5 EIBDHO CCC[C@H](NCc1ccc(C[NH+](C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000160875452 1040826944 /nfs/dbraw/zinc/82/69/44/1040826944.db2.gz KSUADESZMSFSPE-FQEVSTJZSA-N 1 3 341.455 4.287 20 5 EIBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443605467 1042129828 /nfs/dbraw/zinc/12/98/28/1042129828.db2.gz VQEGZILCSQNTCF-QGZVFWFLSA-N 1 3 345.487 4.244 20 5 EIBDHO Cc1ccc([C@@H](C)N[C@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000423505314 1038258572 /nfs/dbraw/zinc/25/85/72/1038258572.db2.gz OKPBLAHKUDBHPT-CRAIPNDOSA-N 1 3 327.428 4.034 20 5 EIBDHO CCC[C@@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000125868955 1045063626 /nfs/dbraw/zinc/06/36/26/1045063626.db2.gz JAKAEPBKCGJXHA-VQIMIIECSA-N 1 3 333.476 4.146 20 5 EIBDHO C[C@H]([NH2+]CC[C@H](C)N(C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000379624338 1021845772 /nfs/dbraw/zinc/84/57/72/1021845772.db2.gz JNFDVRMFDKRYKF-IRXDYDNUSA-N 1 3 341.455 4.156 20 5 EIBDHO CC(C)c1ccc(CN2CCC(C[N@@H+](C)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000536652133 1046596199 /nfs/dbraw/zinc/59/61/99/1046596199.db2.gz PYRVGPNKVVMICN-UHFFFAOYSA-N 1 3 347.503 4.270 20 5 EIBDHO CC(C)c1ccc(CN2CCC(C[N@H+](C)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000536652133 1046596221 /nfs/dbraw/zinc/59/62/21/1046596221.db2.gz PYRVGPNKVVMICN-UHFFFAOYSA-N 1 3 347.503 4.270 20 5 EIBDHO Cc1c([C@H](C)N[C@@H](CCC[NH3+])c2ccccc2)cccc1[N+](=O)[O-] ZINC000423499337 1038255075 /nfs/dbraw/zinc/25/50/75/1038255075.db2.gz JKFSFJGEMCHWHH-YJBOKZPZSA-N 1 3 327.428 4.034 20 5 EIBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000538711963 1041484521 /nfs/dbraw/zinc/48/45/21/1041484521.db2.gz OIUJKZBNOVIVCG-INIZCTEOSA-N 1 3 333.476 4.016 20 5 EIBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000538711963 1041484527 /nfs/dbraw/zinc/48/45/27/1041484527.db2.gz OIUJKZBNOVIVCG-INIZCTEOSA-N 1 3 333.476 4.016 20 5 EIBDHO Cc1ccc([C@H](C)N[C@@H](C)c2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000820824462 1049558574 /nfs/dbraw/zinc/55/85/74/1049558574.db2.gz SSTQYFWKJMZDPJ-HOTGVXAUSA-N 1 3 341.455 4.377 20 5 EIBDHO CC(C)c1ccc(CN[C@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000415051277 1023409704 /nfs/dbraw/zinc/40/97/04/1023409704.db2.gz JIDVPBICWLSIND-LJQANCHMSA-N 1 3 341.455 4.288 20 5 EIBDHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000123942331 1023742042 /nfs/dbraw/zinc/74/20/42/1023742042.db2.gz JZPXGLKTDXUDMI-INIZCTEOSA-N 1 3 341.455 4.206 20 5 EIBDHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000123942331 1023742046 /nfs/dbraw/zinc/74/20/46/1023742046.db2.gz JZPXGLKTDXUDMI-INIZCTEOSA-N 1 3 341.455 4.206 20 5 EIBDHO CCCC[N@H+](C)CC1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000488422162 1037575360 /nfs/dbraw/zinc/57/53/60/1037575360.db2.gz LKLRQAKWUAZCDA-INIZCTEOSA-N 1 3 333.476 4.100 20 5 EIBDHO CCCC[N@@H+](C)CC1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000488422162 1037575372 /nfs/dbraw/zinc/57/53/72/1037575372.db2.gz LKLRQAKWUAZCDA-INIZCTEOSA-N 1 3 333.476 4.100 20 5 EIBDHO Cc1ccc([C@H](C)N[C@@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000423505317 1038258133 /nfs/dbraw/zinc/25/81/33/1038258133.db2.gz OKPBLAHKUDBHPT-YJBOKZPZSA-N 1 3 327.428 4.034 20 5 EIBDHO CC[C@H](NCc1cccc(C[N@H+](C)CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000123964794 1044810427 /nfs/dbraw/zinc/81/04/27/1044810427.db2.gz PQYYMCSTKVICSW-FQEVSTJZSA-N 1 3 341.455 4.287 20 5 EIBDHO CC[C@H](NCc1cccc(C[N@@H+](C)CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000123964794 1044810431 /nfs/dbraw/zinc/81/04/31/1044810431.db2.gz PQYYMCSTKVICSW-FQEVSTJZSA-N 1 3 341.455 4.287 20 5 EIBDHO CCC[C@@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000125868559 1045063458 /nfs/dbraw/zinc/06/34/58/1045063458.db2.gz JAKAEPBKCGJXHA-QFBILLFUSA-N 1 3 333.476 4.146 20 5 EIBDHO Cc1ccc([C@H](C)N[C@H](C)c2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000820824460 1049559850 /nfs/dbraw/zinc/55/98/50/1049559850.db2.gz SSTQYFWKJMZDPJ-CVEARBPZSA-N 1 3 341.455 4.377 20 5 EIBDHO C[C@@H]([NH2+]CC[C@H](C)N(C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000379624336 1021846042 /nfs/dbraw/zinc/84/60/42/1021846042.db2.gz JNFDVRMFDKRYKF-DLBZAZTESA-N 1 3 341.455 4.156 20 5 EIBDHO Cc1c([C@@H](C)N[C@@H](CCC[NH3+])c2ccccc2)cccc1[N+](=O)[O-] ZINC000423499335 1038254782 /nfs/dbraw/zinc/25/47/82/1038254782.db2.gz JKFSFJGEMCHWHH-QAPCUYQASA-N 1 3 327.428 4.034 20 5 EIBDHO CCC[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000119864582 1026213207 /nfs/dbraw/zinc/21/32/07/1026213207.db2.gz AEXRGKQINKOZPW-SFHVURJKSA-N 1 3 333.476 4.289 20 5 EIBDHO CCCC[N@H+](C)CC1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000520044759 1031000906 /nfs/dbraw/zinc/00/09/06/1031000906.db2.gz TXFMGZBNXUNOOU-INIZCTEOSA-N 1 3 333.476 4.100 20 5 EIBDHO CCCC[N@@H+](C)CC1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000520044759 1031000925 /nfs/dbraw/zinc/00/09/25/1031000925.db2.gz TXFMGZBNXUNOOU-INIZCTEOSA-N 1 3 333.476 4.100 20 5 EIBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000538711964 1041484678 /nfs/dbraw/zinc/48/46/78/1041484678.db2.gz OIUJKZBNOVIVCG-MRXNPFEDSA-N 1 3 333.476 4.016 20 5 EIBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000538711964 1041484684 /nfs/dbraw/zinc/48/46/84/1041484684.db2.gz OIUJKZBNOVIVCG-MRXNPFEDSA-N 1 3 333.476 4.016 20 5 EIBDHO CC[N+](C)(C)Cc1ccccc1-n1c(-c2ccccc2)cnc1[C@H](C)N ZINC001170682806 1049534840 /nfs/dbraw/zinc/53/48/40/1049534840.db2.gz UGONLZGLIRUYGH-KRWDZBQOSA-N 1 3 349.502 4.155 20 5 EIBDHO C[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178640221 1026966998 /nfs/dbraw/zinc/96/69/98/1026966998.db2.gz UDUPNSCCRCYIDJ-INIZCTEOSA-N 1 3 339.439 4.041 20 5 EIBDHO CCCC[N@H+](C)CC1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000520044760 1030999585 /nfs/dbraw/zinc/99/95/85/1030999585.db2.gz TXFMGZBNXUNOOU-MRXNPFEDSA-N 1 3 333.476 4.100 20 5 EIBDHO CCCC[N@@H+](C)CC1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000520044760 1030999610 /nfs/dbraw/zinc/99/96/10/1030999610.db2.gz TXFMGZBNXUNOOU-MRXNPFEDSA-N 1 3 333.476 4.100 20 5 EIBDHO C[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000897466564 1031402814 /nfs/dbraw/zinc/40/28/14/1031402814.db2.gz XLWSUJDXWLAJGU-INIZCTEOSA-N 1 3 345.487 4.085 20 5 EIBDHO Cc1ccc([C@@H](C)N[C@@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000423505316 1038256496 /nfs/dbraw/zinc/25/64/96/1038256496.db2.gz OKPBLAHKUDBHPT-QAPCUYQASA-N 1 3 327.428 4.034 20 5 EIBDHO CCC[C@@H]([NH2+]C1CCN(CC(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000177836428 1022613623 /nfs/dbraw/zinc/61/36/23/1022613623.db2.gz GQJOYKCPFJOZEN-LJQANCHMSA-N 1 3 333.476 4.146 20 5 EIBDHO CCC[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000160875586 1040824451 /nfs/dbraw/zinc/82/44/51/1040824451.db2.gz KSUADESZMSFSPE-HXUWFJFHSA-N 1 3 341.455 4.287 20 5 EIBDHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000123928744 1044805327 /nfs/dbraw/zinc/80/53/27/1044805327.db2.gz IVUYWNPNPGBSOV-INIZCTEOSA-N 1 3 341.455 4.206 20 5 EIBDHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000123928744 1044805328 /nfs/dbraw/zinc/80/53/28/1044805328.db2.gz IVUYWNPNPGBSOV-INIZCTEOSA-N 1 3 341.455 4.206 20 5 EIBDHO CCC[C@@H](NCc1ccc([C@@H](C)[NH3+])cc1)c1cccc([N+](=O)[O-])c1 ZINC000423295152 1038118769 /nfs/dbraw/zinc/11/87/69/1038118769.db2.gz WFPLHMZHVWVCQO-AUUYWEPGSA-N 1 3 327.428 4.246 20 5 EIBDHO Cc1ccc([C@@H](C)N[C@H](C)c2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000820824463 1049559278 /nfs/dbraw/zinc/55/92/78/1049559278.db2.gz SSTQYFWKJMZDPJ-HZPDHXFCSA-N 1 3 341.455 4.377 20 5 EIBDHO CCC[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1cccc([N+](=O)[O-])c1 ZINC000423295153 1038122164 /nfs/dbraw/zinc/12/21/64/1038122164.db2.gz WFPLHMZHVWVCQO-IFXJQAMLSA-N 1 3 327.428 4.246 20 5 EIBDHO COCC[NH2+]C1CCN(Cc2c3ccccc3cc3ccccc32)CC1 ZINC000844899390 1048539647 /nfs/dbraw/zinc/53/96/47/1048539647.db2.gz AGDZIDWFDFELNU-UHFFFAOYSA-N 1 3 348.490 4.193 20 5 EIBDHO C[C@@H]([NH2+]CC[C@@H](C)N(C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000379635503 1021846490 /nfs/dbraw/zinc/84/64/90/1021846490.db2.gz WFWVNABPEOQOKJ-IAGOWNOFSA-N 1 3 341.455 4.156 20 5 EIBDHO C[C@H]([NH3+])c1ccc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000423289840 1038097239 /nfs/dbraw/zinc/09/72/39/1038097239.db2.gz BRBFJWCCOSMCRD-ORAYPTAESA-N 1 3 339.439 4.127 20 5 EIBDHO C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(C[NH+](C)C)c1 ZINC000924798474 1041489489 /nfs/dbraw/zinc/48/94/89/1041489489.db2.gz OAFBBUAOVYQVGB-HUUCEWRRSA-N 1 3 327.428 4.068 20 5 EIBDHO CCC[C@H]([NH2+]C1CCN(CC(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000177836419 1022614814 /nfs/dbraw/zinc/61/48/14/1022614814.db2.gz GQJOYKCPFJOZEN-IBGZPJMESA-N 1 3 333.476 4.146 20 5 EIBDHO CC(C)c1ccc(CNCc2ccc([C@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000414814310 1023339525 /nfs/dbraw/zinc/33/95/25/1023339525.db2.gz VFIDNVASHKOVLP-AWEZNQCLSA-N 1 3 327.428 4.028 20 5 EIBDHO CC(C)c1ccc(C[NH2+][C@H](CCN(C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000522557806 1028004973 /nfs/dbraw/zinc/00/49/73/1028004973.db2.gz HSFGOAGVYYBIMQ-GOSISDBHSA-N 1 3 335.492 4.174 20 5 EIBDHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000122142413 1040011510 /nfs/dbraw/zinc/01/15/10/1040011510.db2.gz BZMOAGKWUIDUED-INIZCTEOSA-N 1 3 341.455 4.287 20 5 EIBDHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000123928988 1044804916 /nfs/dbraw/zinc/80/49/16/1044804916.db2.gz IVUYWNPNPGBSOV-MRXNPFEDSA-N 1 3 341.455 4.206 20 5 EIBDHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000123928988 1044804924 /nfs/dbraw/zinc/80/49/24/1044804924.db2.gz IVUYWNPNPGBSOV-MRXNPFEDSA-N 1 3 341.455 4.206 20 5 EIBDHO CCC[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000125868315 1045065156 /nfs/dbraw/zinc/06/51/56/1045065156.db2.gz JAKAEPBKCGJXHA-LPHOPBHVSA-N 1 3 333.476 4.146 20 5 EIBDHO CCC[C@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000125868786 1045063933 /nfs/dbraw/zinc/06/39/33/1045063933.db2.gz JAKAEPBKCGJXHA-APWZRJJASA-N 1 3 333.476 4.146 20 5 EIBDHO C[C@@H]([NH3+])c1ccc(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000423289841 1038094730 /nfs/dbraw/zinc/09/47/30/1038094730.db2.gz BRBFJWCCOSMCRD-YJYMSZOUSA-N 1 3 339.439 4.127 20 5 EIBDHO C[C@@H](N[C@@H](C)c1cccc(C[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000924798476 1041490585 /nfs/dbraw/zinc/49/05/85/1041490585.db2.gz OAFBBUAOVYQVGB-LSDHHAIUSA-N 1 3 327.428 4.068 20 5 EIBDHO CCCCN1CCC([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433174708 1033985599 /nfs/dbraw/zinc/98/55/99/1033985599.db2.gz KCIAKLUAWAURJJ-IBGZPJMESA-N 1 3 345.487 4.171 20 5 EIBDHO CC[NH+](CC)CC1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000485720833 1036205960 /nfs/dbraw/zinc/20/59/60/1036205960.db2.gz YSXCGCXBNLRRDA-MRXNPFEDSA-N 1 3 333.476 4.018 20 5 EIBDHO Cc1cc([N+](=O)[O-])ccc1CNCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000183454040 1051125906 /nfs/dbraw/zinc/12/59/06/1051125906.db2.gz IZLUTVUEPZPSAC-UHFFFAOYSA-N 1 3 341.455 4.033 20 5 EIBDHO Cc1cc([N+](=O)[O-])ccc1CNCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000183454040 1051125915 /nfs/dbraw/zinc/12/59/15/1051125915.db2.gz IZLUTVUEPZPSAC-UHFFFAOYSA-N 1 3 341.455 4.033 20 5 EIBDHO C[C@H]([NH2+]CC[C@H](C)N(C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000379635505 1021845812 /nfs/dbraw/zinc/84/58/12/1021845812.db2.gz WFWVNABPEOQOKJ-IRXDYDNUSA-N 1 3 341.455 4.156 20 5 EIBDHO C[C@@H]([NH3+])c1ccc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000423289838 1038096404 /nfs/dbraw/zinc/09/64/04/1038096404.db2.gz BRBFJWCCOSMCRD-BFUOFWGJSA-N 1 3 339.439 4.127 20 5 EIBDHO C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(C[NH+](C)C)c1 ZINC000924798469 1041490042 /nfs/dbraw/zinc/49/00/42/1041490042.db2.gz OAFBBUAOVYQVGB-CABCVRRESA-N 1 3 327.428 4.068 20 5 EIBDHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443602453 1042117663 /nfs/dbraw/zinc/11/76/63/1042117663.db2.gz PEDLOZGKBZTDET-QGZVFWFLSA-N 1 3 345.487 4.244 20 5 EIBDHO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443605465 1042128705 /nfs/dbraw/zinc/12/87/05/1042128705.db2.gz VQEGZILCSQNTCF-KRWDZBQOSA-N 1 3 345.487 4.244 20 5 EIBDHO CC[NH+](CC)Cc1ccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000122142616 1040008495 /nfs/dbraw/zinc/00/84/95/1040008495.db2.gz BZMOAGKWUIDUED-MRXNPFEDSA-N 1 3 341.455 4.287 20 5 EIBDHO C[C@H](CNC1CC[NH+](C2CCCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000897466565 1031404024 /nfs/dbraw/zinc/40/40/24/1031404024.db2.gz XLWSUJDXWLAJGU-MRXNPFEDSA-N 1 3 345.487 4.085 20 5 EIBDHO CCC[C@H](NCc1ccc([C@H](C)[NH3+])cc1)c1cccc([N+](=O)[O-])c1 ZINC000423295155 1038118713 /nfs/dbraw/zinc/11/87/13/1038118713.db2.gz WFPLHMZHVWVCQO-LIRRHRJNSA-N 1 3 327.428 4.246 20 5 EIBDHO CCC[C@H](NCc1cccc(C[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000123663715 1044748786 /nfs/dbraw/zinc/74/87/86/1044748786.db2.gz PKLTVEBKQWLIPF-FQEVSTJZSA-N 1 3 341.455 4.287 20 5 EIBDHO Cc1ccc([C@@H](C)N[C@@H](C)c2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000820824464 1049559644 /nfs/dbraw/zinc/55/96/44/1049559644.db2.gz SSTQYFWKJMZDPJ-JKSUJKDBSA-N 1 3 341.455 4.377 20 5 EIBDHO C[C@H](CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000379624339 1021846416 /nfs/dbraw/zinc/84/64/16/1021846416.db2.gz JNFDVRMFDKRYKF-SJORKVTESA-N 1 3 341.455 4.156 20 5 EIBDHO CC(C)c1ccc(C[NH2+][C@@H](CCN(C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000522557807 1028003618 /nfs/dbraw/zinc/00/36/18/1028003618.db2.gz HSFGOAGVYYBIMQ-SFHVURJKSA-N 1 3 335.492 4.174 20 5 EIBDHO CCCC[N@H+](C)CC1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000488422163 1037576337 /nfs/dbraw/zinc/57/63/37/1037576337.db2.gz LKLRQAKWUAZCDA-MRXNPFEDSA-N 1 3 333.476 4.100 20 5 EIBDHO CCCC[N@@H+](C)CC1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000488422163 1037576352 /nfs/dbraw/zinc/57/63/52/1037576352.db2.gz LKLRQAKWUAZCDA-MRXNPFEDSA-N 1 3 333.476 4.100 20 5 EIBDHO C[C@@H]([NH2+]CC[C@H](C)N(C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000379635501 1021846065 /nfs/dbraw/zinc/84/60/65/1021846065.db2.gz WFWVNABPEOQOKJ-DLBZAZTESA-N 1 3 341.455 4.156 20 5 EIBDHO C[C@@H]([NH2+]CC[C@@H](C)N(C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000379624337 1021846782 /nfs/dbraw/zinc/84/67/82/1021846782.db2.gz JNFDVRMFDKRYKF-IAGOWNOFSA-N 1 3 341.455 4.156 20 5 EIBDHO CCC[C@@H](NCc1cccc(C[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000123663898 1044748985 /nfs/dbraw/zinc/74/89/85/1044748985.db2.gz PKLTVEBKQWLIPF-HXUWFJFHSA-N 1 3 341.455 4.287 20 5 EIBDHO