smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000480605533 1030503881 /nfs/dbraw/zinc/50/38/81/1030503881.db2.gz BUWIDCIHQFQGAO-RDJZCZTQSA-N 2 1 333.476 4.066 20 5 EIBDMP CCCn1ccnc1CCC[N@@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000191477080 1030952466 /nfs/dbraw/zinc/95/24/66/1030952466.db2.gz FCZDYVGLUWBFPY-MRXNPFEDSA-N 2 1 344.459 4.135 20 5 EIBDMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000191477080 1030952490 /nfs/dbraw/zinc/95/24/90/1030952490.db2.gz FCZDYVGLUWBFPY-MRXNPFEDSA-N 2 1 344.459 4.135 20 5 EIBDMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000191477080 1030952511 /nfs/dbraw/zinc/95/25/11/1030952511.db2.gz FCZDYVGLUWBFPY-MRXNPFEDSA-N 2 1 344.459 4.135 20 5 EIBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000531681543 1031470929 /nfs/dbraw/zinc/47/09/29/1031470929.db2.gz QAUYCBXDELVYEZ-IAGOWNOFSA-N 2 1 333.476 4.208 20 5 EIBDMP CC(C)C[NH+]1CCC([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433150076 1033947409 /nfs/dbraw/zinc/94/74/09/1033947409.db2.gz VLVHDSAUGNAOKM-LJQANCHMSA-N 2 1 345.487 4.027 20 5 EIBDMP Cc1c([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000480632598 1041446937 /nfs/dbraw/zinc/44/69/37/1041446937.db2.gz SMPHWSHYHBBHTO-DOTOQJQBSA-N 2 1 333.476 4.208 20 5 EIBDMP CCC(CC)[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173221077 1050354416 /nfs/dbraw/zinc/35/44/16/1050354416.db2.gz FLFASODQXKSKDG-SZVBFZGTSA-N 2 1 347.503 4.286 20 5 EIBDMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001183788648 1051899541 /nfs/dbraw/zinc/89/95/41/1051899541.db2.gz MYXAMZXYODMCFZ-TWOQFEAHSA-N 2 1 345.487 4.289 20 5 EIBDMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000123942588 1023741876 /nfs/dbraw/zinc/74/18/76/1023741876.db2.gz JZPXGLKTDXUDMI-MRXNPFEDSA-N 2 1 341.455 4.206 20 5 EIBDMP CCCC[N@@H+](C)CC1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000506947878 1026560054 /nfs/dbraw/zinc/56/00/54/1026560054.db2.gz VHCCONMTPFFFKV-CLFYSBASSA-N 2 1 345.487 4.052 20 5 EIBDMP CCCC[NH+]1CCC([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433174710 1033986956 /nfs/dbraw/zinc/98/69/56/1033986956.db2.gz KCIAKLUAWAURJJ-LJQANCHMSA-N 2 1 345.487 4.171 20 5 EIBDMP CC(C)c1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000604478803 1037396987 /nfs/dbraw/zinc/39/69/87/1037396987.db2.gz RKOVFCZSRSVLKV-MRXNPFEDSA-N 2 1 333.476 4.072 20 5 EIBDMP CC(C)c1ccc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000604478803 1037396997 /nfs/dbraw/zinc/39/69/97/1037396997.db2.gz RKOVFCZSRSVLKV-MRXNPFEDSA-N 2 1 333.476 4.072 20 5 EIBDMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000123965027 1044810457 /nfs/dbraw/zinc/81/04/57/1044810457.db2.gz PQYYMCSTKVICSW-HXUWFJFHSA-N 2 1 341.455 4.287 20 5 EIBDMP Cc1c(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000477739531 1040746869 /nfs/dbraw/zinc/74/68/69/1040746869.db2.gz CKKIGJAHVNZRBD-HNAYVOBHSA-N 2 1 345.487 4.036 20 5 EIBDMP Cc1c(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)cccc1[N+](=O)[O-] ZINC000873026450 1054478667 /nfs/dbraw/zinc/47/86/67/1054478667.db2.gz LKTOKZMIWNXIIG-UHFFFAOYSA-N 2 1 341.455 4.033 20 5 EIBDMP C[C@H](CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000379635506 1021846195 /nfs/dbraw/zinc/84/61/95/1021846195.db2.gz WFWVNABPEOQOKJ-SJORKVTESA-N 2 1 341.455 4.156 20 5 EIBDMP C[C@H](CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000379635506 1021846198 /nfs/dbraw/zinc/84/61/98/1021846198.db2.gz WFWVNABPEOQOKJ-SJORKVTESA-N 2 1 341.455 4.156 20 5 EIBDMP CCC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000119864716 1026212767 /nfs/dbraw/zinc/21/27/67/1026212767.db2.gz AEXRGKQINKOZPW-GOSISDBHSA-N 2 1 333.476 4.289 20 5 EIBDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173358241 1054171483 /nfs/dbraw/zinc/17/14/83/1054171483.db2.gz NMFZGKHGPMFUTO-MRXNPFEDSA-N 2 1 341.455 4.286 20 5 EIBDMP Cc1c(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000477739529 1024085746 /nfs/dbraw/zinc/08/57/46/1024085746.db2.gz CKKIGJAHVNZRBD-DNVCBOLYSA-N 2 1 345.487 4.036 20 5 EIBDMP CC(C)c1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000520205072 1031425261 /nfs/dbraw/zinc/42/52/61/1031425261.db2.gz RYMKYBKVTYYAAE-KRWDZBQOSA-N 2 1 347.503 4.462 20 5 EIBDMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000518770480 1042684585 /nfs/dbraw/zinc/68/45/85/1042684585.db2.gz MIIGWNYDJCOSKP-UHFFFAOYSA-N 2 1 347.484 4.143 20 5 EIBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000468638255 1022210507 /nfs/dbraw/zinc/21/05/07/1022210507.db2.gz AJKROCDEGQHKRQ-UWXVCKHVSA-N 2 1 345.487 4.242 20 5 EIBDMP CCCC[N@@H+](C)CC1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000506947880 1026561679 /nfs/dbraw/zinc/56/16/79/1026561679.db2.gz VHCCONMTPFFFKV-VQHVLOKHSA-N 2 1 345.487 4.052 20 5 EIBDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000531909983 1031807063 /nfs/dbraw/zinc/80/70/63/1031807063.db2.gz CWLOHXOILHMNFD-KRWDZBQOSA-N 2 1 345.487 4.071 20 5 EIBDMP CC(C)c1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000061029117 1036783840 /nfs/dbraw/zinc/78/38/40/1036783840.db2.gz RKOVFCZSRSVLKV-INIZCTEOSA-N 2 1 333.476 4.072 20 5 EIBDMP CC(C)c1ccc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000061029117 1036783850 /nfs/dbraw/zinc/78/38/50/1036783850.db2.gz RKOVFCZSRSVLKV-INIZCTEOSA-N 2 1 333.476 4.072 20 5 EIBDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447537752 1030142502 /nfs/dbraw/zinc/14/25/02/1030142502.db2.gz YIJNKHWJAQUFOP-UZLBHIALSA-N 2 1 345.487 4.216 20 5 EIBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000531682765 1031473983 /nfs/dbraw/zinc/47/39/83/1031473983.db2.gz IUSLNESFFTTZTB-NVXWUHKLSA-N 2 1 333.476 4.066 20 5 EIBDMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000537950556 1040916797 /nfs/dbraw/zinc/91/67/97/1040916797.db2.gz CIDFOVIMDUABCP-APWZRJJASA-N 2 1 333.476 4.004 20 5 EIBDMP CCC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000125868955 1045063580 /nfs/dbraw/zinc/06/35/80/1045063580.db2.gz JAKAEPBKCGJXHA-VQIMIIECSA-N 2 1 333.476 4.146 20 5 EIBDMP C[C@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000379624338 1021845762 /nfs/dbraw/zinc/84/57/62/1021845762.db2.gz JNFDVRMFDKRYKF-IRXDYDNUSA-N 2 1 341.455 4.156 20 5 EIBDMP C[C@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000379624338 1021845770 /nfs/dbraw/zinc/84/57/70/1021845770.db2.gz JNFDVRMFDKRYKF-IRXDYDNUSA-N 2 1 341.455 4.156 20 5 EIBDMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000157526795 1023872164 /nfs/dbraw/zinc/87/21/64/1023872164.db2.gz CULJFWVIGZSGOH-INIZCTEOSA-N 2 1 345.487 4.351 20 5 EIBDMP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000248397846 1028095439 /nfs/dbraw/zinc/09/54/39/1028095439.db2.gz IGYKZUOQMAWHLY-KNBMTAEXSA-N 2 1 345.487 4.289 20 5 EIBDMP CCC[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000160486433 1040547933 /nfs/dbraw/zinc/54/79/33/1040547933.db2.gz SOJJPLZJKCHYTD-HXUWFJFHSA-N 2 1 345.487 4.433 20 5 EIBDMP CC(C)c1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000536652133 1046596183 /nfs/dbraw/zinc/59/61/83/1046596183.db2.gz PYRVGPNKVVMICN-UHFFFAOYSA-N 2 1 347.503 4.270 20 5 EIBDMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447545952 1030149255 /nfs/dbraw/zinc/14/92/55/1030149255.db2.gz ZJSRQKYFDNNOSL-OXJNMPFZSA-N 2 1 345.487 4.074 20 5 EIBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000531681545 1031471747 /nfs/dbraw/zinc/47/17/47/1031471747.db2.gz QAUYCBXDELVYEZ-IRXDYDNUSA-N 2 1 333.476 4.208 20 5 EIBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000531682764 1031474944 /nfs/dbraw/zinc/47/49/44/1031474944.db2.gz IUSLNESFFTTZTB-DOTOQJQBSA-N 2 1 333.476 4.066 20 5 EIBDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000531910556 1031806083 /nfs/dbraw/zinc/80/60/83/1031806083.db2.gz MHHWVFVFDNWXOU-KRWDZBQOSA-N 2 1 345.487 4.071 20 5 EIBDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433172792 1033991618 /nfs/dbraw/zinc/99/16/18/1033991618.db2.gz DMIDMUCHSUUPFY-HNAYVOBHSA-N 2 1 345.487 4.027 20 5 EIBDMP Cc1c([C@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000157534035 1019416544 /nfs/dbraw/zinc/41/65/44/1019416544.db2.gz ZIJYNWVZJIPHHR-INIZCTEOSA-N 2 1 345.487 4.351 20 5 EIBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000531682767 1031474125 /nfs/dbraw/zinc/47/41/25/1031474125.db2.gz IUSLNESFFTTZTB-WBVHZDCISA-N 2 1 333.476 4.066 20 5 EIBDMP Cc1c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000183187919 1035319283 /nfs/dbraw/zinc/31/92/83/1035319283.db2.gz ILJIRWNARKBXSU-YESZJQIVSA-N 2 1 345.487 4.207 20 5 EIBDMP CC[C@@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000183195551 1035338236 /nfs/dbraw/zinc/33/82/36/1035338236.db2.gz IGYKZUOQMAWHLY-WRWLIDTKSA-N 2 1 345.487 4.289 20 5 EIBDMP COCC[NH+]1CCC([NH2+]Cc2c3ccccc3cc3ccccc32)CC1 ZINC000237128961 1037741116 /nfs/dbraw/zinc/74/11/16/1037741116.db2.gz NRIJDEZSMCIVMP-UHFFFAOYSA-N 2 1 348.490 4.193 20 5 EIBDMP CCCC[NH+]1CCC([NH2+][C@@H](CCC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000325116232 1040059584 /nfs/dbraw/zinc/05/95/84/1040059584.db2.gz NHIPPTVEMRFGHP-IBGZPJMESA-N 2 1 333.476 4.290 20 5 EIBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000538711963 1041484517 /nfs/dbraw/zinc/48/45/17/1041484517.db2.gz OIUJKZBNOVIVCG-INIZCTEOSA-N 2 1 333.476 4.016 20 5 EIBDMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000123942331 1023742031 /nfs/dbraw/zinc/74/20/31/1023742031.db2.gz JZPXGLKTDXUDMI-INIZCTEOSA-N 2 1 341.455 4.206 20 5 EIBDMP CCC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1cccc([N+](=O)[O-])c1 ZINC000164652280 1024773849 /nfs/dbraw/zinc/77/38/49/1024773849.db2.gz QNXZEEYKFWZBIS-GOSISDBHSA-N 2 1 330.432 4.011 20 5 EIBDMP Cc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000480605534 1030504193 /nfs/dbraw/zinc/50/41/93/1030504193.db2.gz BUWIDCIHQFQGAO-WBVHZDCISA-N 2 1 333.476 4.066 20 5 EIBDMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000488422162 1037575351 /nfs/dbraw/zinc/57/53/51/1037575351.db2.gz LKLRQAKWUAZCDA-INIZCTEOSA-N 2 1 333.476 4.100 20 5 EIBDMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000123964794 1044810426 /nfs/dbraw/zinc/81/04/26/1044810426.db2.gz PQYYMCSTKVICSW-FQEVSTJZSA-N 2 1 341.455 4.287 20 5 EIBDMP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000125868559 1045063417 /nfs/dbraw/zinc/06/34/17/1045063417.db2.gz JAKAEPBKCGJXHA-QFBILLFUSA-N 2 1 333.476 4.146 20 5 EIBDMP Cc1cc2cc3cc(C)c(Nc4ccc[nH+]c4N)cc3[nH+]c2cc1N ZINC001212408846 1055562977 /nfs/dbraw/zinc/56/29/77/1055562977.db2.gz PAJJGLMXXDACAW-UHFFFAOYSA-N 2 1 329.407 4.308 20 5 EIBDMP C[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000379624336 1021846036 /nfs/dbraw/zinc/84/60/36/1021846036.db2.gz JNFDVRMFDKRYKF-DLBZAZTESA-N 2 1 341.455 4.156 20 5 EIBDMP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000379624336 1021846039 /nfs/dbraw/zinc/84/60/39/1021846039.db2.gz JNFDVRMFDKRYKF-DLBZAZTESA-N 2 1 341.455 4.156 20 5 EIBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183194332 1035336379 /nfs/dbraw/zinc/33/63/79/1035336379.db2.gz PXWRKSHUKXJITK-YESZJQIVSA-N 2 1 345.487 4.207 20 5 EIBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173223439 1050354769 /nfs/dbraw/zinc/35/47/69/1050354769.db2.gz IRATZWCZHWUASC-SZMVWBNQSA-N 2 1 347.503 4.144 20 5 EIBDMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001183788642 1051899533 /nfs/dbraw/zinc/89/95/33/1051899533.db2.gz MYXAMZXYODMCFZ-FTRWYGJKSA-N 2 1 345.487 4.289 20 5 EIBDMP CCC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000119864582 1026213197 /nfs/dbraw/zinc/21/31/97/1026213197.db2.gz AEXRGKQINKOZPW-SFHVURJKSA-N 2 1 333.476 4.289 20 5 EIBDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178644315 1027071501 /nfs/dbraw/zinc/07/15/01/1027071501.db2.gz LXFLUWZWFGKJIM-INIZCTEOSA-N 2 1 341.455 4.286 20 5 EIBDMP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000248397847 1028124541 /nfs/dbraw/zinc/12/45/41/1028124541.db2.gz IGYKZUOQMAWHLY-SYNHAJSKSA-N 2 1 345.487 4.289 20 5 EIBDMP Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000248393718 1028145609 /nfs/dbraw/zinc/14/56/09/1028145609.db2.gz FAWKMXGWSSTDMM-JZXOWHBKSA-N 2 1 345.487 4.207 20 5 EIBDMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000520044759 1031000892 /nfs/dbraw/zinc/00/08/92/1031000892.db2.gz TXFMGZBNXUNOOU-INIZCTEOSA-N 2 1 333.476 4.100 20 5 EIBDMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433286186 1034172440 /nfs/dbraw/zinc/17/24/40/1034172440.db2.gz UJIUJSRUIJFSJG-GOSISDBHSA-N 2 1 345.487 4.170 20 5 EIBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000538711964 1041484671 /nfs/dbraw/zinc/48/46/71/1041484671.db2.gz OIUJKZBNOVIVCG-MRXNPFEDSA-N 2 1 333.476 4.016 20 5 EIBDMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000537950557 1023307646 /nfs/dbraw/zinc/30/76/46/1023307646.db2.gz CIDFOVIMDUABCP-LPHOPBHVSA-N 2 1 333.476 4.004 20 5 EIBDMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000520044760 1030999566 /nfs/dbraw/zinc/99/95/66/1030999566.db2.gz TXFMGZBNXUNOOU-MRXNPFEDSA-N 2 1 333.476 4.100 20 5 EIBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000531681546 1031471289 /nfs/dbraw/zinc/47/12/89/1031471289.db2.gz QAUYCBXDELVYEZ-SJORKVTESA-N 2 1 333.476 4.208 20 5 EIBDMP Cc1c([C@@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000480159296 1041015643 /nfs/dbraw/zinc/01/56/43/1041015643.db2.gz LHMYLERCCRGCSV-QGZVFWFLSA-N 2 1 341.455 4.076 20 5 EIBDMP Cc1c([C@@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000480159296 1041015657 /nfs/dbraw/zinc/01/56/57/1041015657.db2.gz LHMYLERCCRGCSV-QGZVFWFLSA-N 2 1 341.455 4.076 20 5 EIBDMP CC(C)c1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000518764590 1042673724 /nfs/dbraw/zinc/67/37/24/1042673724.db2.gz WHQDCMLLGBGSEU-KRWDZBQOSA-N 2 1 347.503 4.320 20 5 EIBDMP CCC(CC)[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173221073 1050354784 /nfs/dbraw/zinc/35/47/84/1050354784.db2.gz FLFASODQXKSKDG-IEZWGBDMSA-N 2 1 347.503 4.286 20 5 EIBDMP Cc1c([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000183187955 1051016333 /nfs/dbraw/zinc/01/63/33/1051016333.db2.gz ILJIRWNARKBXSU-IXDOHACOSA-N 2 1 345.487 4.207 20 5 EIBDMP CCC[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000177836428 1022613610 /nfs/dbraw/zinc/61/36/10/1022613610.db2.gz GQJOYKCPFJOZEN-LJQANCHMSA-N 2 1 333.476 4.146 20 5 EIBDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447545953 1030147668 /nfs/dbraw/zinc/14/76/68/1030147668.db2.gz ZJSRQKYFDNNOSL-OXQOHEQNSA-N 2 1 345.487 4.074 20 5 EIBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183194375 1035337025 /nfs/dbraw/zinc/33/70/25/1035337025.db2.gz PXWRKSHUKXJITK-IXDOHACOSA-N 2 1 345.487 4.207 20 5 EIBDMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000517540953 1042065485 /nfs/dbraw/zinc/06/54/85/1042065485.db2.gz RBLPZPAGDUDATL-UHFFFAOYSA-N 2 1 347.484 4.143 20 5 EIBDMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000517540953 1042065490 /nfs/dbraw/zinc/06/54/90/1042065490.db2.gz RBLPZPAGDUDATL-UHFFFAOYSA-N 2 1 347.484 4.143 20 5 EIBDMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000123928744 1044805326 /nfs/dbraw/zinc/80/53/26/1044805326.db2.gz IVUYWNPNPGBSOV-INIZCTEOSA-N 2 1 341.455 4.206 20 5 EIBDMP Cc1c(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000477739527 1040747196 /nfs/dbraw/zinc/74/71/96/1040747196.db2.gz CKKIGJAHVNZRBD-BEFAXECRSA-N 2 1 345.487 4.036 20 5 EIBDMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000537950558 1040917816 /nfs/dbraw/zinc/91/78/16/1040917816.db2.gz CIDFOVIMDUABCP-QFBILLFUSA-N 2 1 333.476 4.004 20 5 EIBDMP Cc1c(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000790694009 1045559269 /nfs/dbraw/zinc/55/92/69/1045559269.db2.gz GFLKQJWMYFQDNM-UHFFFAOYSA-N 2 1 345.487 4.038 20 5 EIBDMP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178661349 1027285450 /nfs/dbraw/zinc/28/54/50/1027285450.db2.gz FHGDDMSEQXFCOQ-HNNXBMFYSA-N 2 1 331.460 4.043 20 5 EIBDMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447537750 1030141431 /nfs/dbraw/zinc/14/14/31/1030141431.db2.gz YIJNKHWJAQUFOP-OXJNMPFZSA-N 2 1 345.487 4.216 20 5 EIBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000531682766 1031473502 /nfs/dbraw/zinc/47/35/02/1031473502.db2.gz IUSLNESFFTTZTB-RDJZCZTQSA-N 2 1 333.476 4.066 20 5 EIBDMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433172789 1033992897 /nfs/dbraw/zinc/99/28/97/1033992897.db2.gz DMIDMUCHSUUPFY-DNVCBOLYSA-N 2 1 345.487 4.027 20 5 EIBDMP C[C@@H]([NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000379635503 1021846482 /nfs/dbraw/zinc/84/64/82/1021846482.db2.gz WFWVNABPEOQOKJ-IAGOWNOFSA-N 2 1 341.455 4.156 20 5 EIBDMP C[C@@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000379635503 1021846486 /nfs/dbraw/zinc/84/64/86/1021846486.db2.gz WFWVNABPEOQOKJ-IAGOWNOFSA-N 2 1 341.455 4.156 20 5 EIBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000468639719 1022226873 /nfs/dbraw/zinc/22/68/73/1022226873.db2.gz GQDIEQAVHNUIQI-CLEQQJOVSA-N 2 1 345.487 4.100 20 5 EIBDMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447537749 1030141576 /nfs/dbraw/zinc/14/15/76/1030141576.db2.gz YIJNKHWJAQUFOP-JXFKEZNVSA-N 2 1 345.487 4.216 20 5 EIBDMP Cc1c([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000480610930 1030501694 /nfs/dbraw/zinc/50/16/94/1030501694.db2.gz LNLOBDKLLBYSEE-DOTOQJQBSA-N 2 1 333.476 4.066 20 5 EIBDMP Cc1c([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000480632600 1031594341 /nfs/dbraw/zinc/59/43/41/1031594341.db2.gz SMPHWSHYHBBHTO-RDJZCZTQSA-N 2 1 333.476 4.208 20 5 EIBDMP COCC[N@@H+](C)CCC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000915229038 1045200494 /nfs/dbraw/zinc/20/04/94/1045200494.db2.gz UFAHOESTWJBLRT-UHFFFAOYSA-N 2 1 336.479 4.051 20 5 EIBDMP CCC[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000177836419 1022614789 /nfs/dbraw/zinc/61/47/89/1022614789.db2.gz GQJOYKCPFJOZEN-IBGZPJMESA-N 2 1 333.476 4.146 20 5 EIBDMP Cc1c([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000480632601 1031593520 /nfs/dbraw/zinc/59/35/20/1031593520.db2.gz SMPHWSHYHBBHTO-WBVHZDCISA-N 2 1 333.476 4.208 20 5 EIBDMP Cc1c([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000480632599 1031596816 /nfs/dbraw/zinc/59/68/16/1031596816.db2.gz SMPHWSHYHBBHTO-NVXWUHKLSA-N 2 1 333.476 4.208 20 5 EIBDMP Cc1c(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000478484590 1039794800 /nfs/dbraw/zinc/79/48/00/1039794800.db2.gz BWISLWPTUZINNJ-BEFAXECRSA-N 2 1 345.487 4.036 20 5 EIBDMP Cc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000480605531 1041429396 /nfs/dbraw/zinc/42/93/96/1041429396.db2.gz BUWIDCIHQFQGAO-DOTOQJQBSA-N 2 1 333.476 4.066 20 5 EIBDMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000123928988 1044804906 /nfs/dbraw/zinc/80/49/06/1044804906.db2.gz IVUYWNPNPGBSOV-MRXNPFEDSA-N 2 1 341.455 4.206 20 5 EIBDMP CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000125868315 1045065109 /nfs/dbraw/zinc/06/51/09/1045065109.db2.gz JAKAEPBKCGJXHA-LPHOPBHVSA-N 2 1 333.476 4.146 20 5 EIBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173229564 1050356757 /nfs/dbraw/zinc/35/67/57/1050356757.db2.gz NLBYDNSTAHQDKO-SZVBFZGTSA-N 2 1 345.487 4.040 20 5 EIBDMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872035768 1054352853 /nfs/dbraw/zinc/35/28/53/1054352853.db2.gz YSLLSFUYCAOSGR-AWEZNQCLSA-N 2 1 345.418 4.036 20 5 EIBDMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872035768 1054352861 /nfs/dbraw/zinc/35/28/61/1054352861.db2.gz YSLLSFUYCAOSGR-AWEZNQCLSA-N 2 1 345.418 4.036 20 5 EIBDMP CC(C)c1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000520205073 1031424737 /nfs/dbraw/zinc/42/47/37/1031424737.db2.gz RYMKYBKVTYYAAE-QGZVFWFLSA-N 2 1 347.503 4.462 20 5 EIBDMP Cc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000480634044 1041447435 /nfs/dbraw/zinc/44/74/35/1041447435.db2.gz YZLZWJJADAOCSK-IAGOWNOFSA-N 2 1 333.476 4.208 20 5 EIBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248404294 1042824138 /nfs/dbraw/zinc/82/41/38/1042824138.db2.gz PXWRKSHUKXJITK-ULQDDVLXSA-N 2 1 345.487 4.207 20 5 EIBDMP CCC[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000125868786 1045063889 /nfs/dbraw/zinc/06/38/89/1045063889.db2.gz JAKAEPBKCGJXHA-APWZRJJASA-N 2 1 333.476 4.146 20 5 EIBDMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001183788647 1051898950 /nfs/dbraw/zinc/89/89/50/1051898950.db2.gz MYXAMZXYODMCFZ-GUXCAODWSA-N 2 1 345.487 4.289 20 5 EIBDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447537751 1030143091 /nfs/dbraw/zinc/14/30/91/1030143091.db2.gz YIJNKHWJAQUFOP-OXQOHEQNSA-N 2 1 345.487 4.216 20 5 EIBDMP CC[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000183195510 1035338058 /nfs/dbraw/zinc/33/80/58/1035338058.db2.gz IGYKZUOQMAWHLY-XAUMDUMWSA-N 2 1 345.487 4.289 20 5 EIBDMP Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000183198142 1051010402 /nfs/dbraw/zinc/01/04/02/1051010402.db2.gz FAWKMXGWSSTDMM-XYJFISCASA-N 2 1 345.487 4.207 20 5 EIBDMP Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000183198190 1051012535 /nfs/dbraw/zinc/01/25/35/1051012535.db2.gz FAWKMXGWSSTDMM-LZLYRXPVSA-N 2 1 345.487 4.207 20 5 EIBDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447545954 1030148084 /nfs/dbraw/zinc/14/80/84/1030148084.db2.gz ZJSRQKYFDNNOSL-UZLBHIALSA-N 2 1 345.487 4.074 20 5 EIBDMP CCCC[NH+]1CCC([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433174708 1033985581 /nfs/dbraw/zinc/98/55/81/1033985581.db2.gz KCIAKLUAWAURJJ-IBGZPJMESA-N 2 1 345.487 4.171 20 5 EIBDMP Cc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000480634046 1041446422 /nfs/dbraw/zinc/44/64/22/1041446422.db2.gz YZLZWJJADAOCSK-SJORKVTESA-N 2 1 333.476 4.208 20 5 EIBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000183454040 1051125888 /nfs/dbraw/zinc/12/58/88/1051125888.db2.gz IZLUTVUEPZPSAC-UHFFFAOYSA-N 2 1 341.455 4.033 20 5 EIBDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173358224 1054172728 /nfs/dbraw/zinc/17/27/28/1054172728.db2.gz NMFZGKHGPMFUTO-INIZCTEOSA-N 2 1 341.455 4.286 20 5 EIBDMP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872035771 1054352615 /nfs/dbraw/zinc/35/26/15/1054352615.db2.gz YSLLSFUYCAOSGR-CQSZACIVSA-N 2 1 345.418 4.036 20 5 EIBDMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872035771 1054352630 /nfs/dbraw/zinc/35/26/30/1054352630.db2.gz YSLLSFUYCAOSGR-CQSZACIVSA-N 2 1 345.418 4.036 20 5 EIBDMP C[C@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000379635505 1021845795 /nfs/dbraw/zinc/84/57/95/1021845795.db2.gz WFWVNABPEOQOKJ-IRXDYDNUSA-N 2 1 341.455 4.156 20 5 EIBDMP C[C@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000379635505 1021845799 /nfs/dbraw/zinc/84/57/99/1021845799.db2.gz WFWVNABPEOQOKJ-IRXDYDNUSA-N 2 1 341.455 4.156 20 5 EIBDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433172795 1033990960 /nfs/dbraw/zinc/99/09/60/1033990960.db2.gz DMIDMUCHSUUPFY-KXBFYZLASA-N 2 1 345.487 4.027 20 5 EIBDMP Cc1c(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000478484593 1039795350 /nfs/dbraw/zinc/79/53/50/1039795350.db2.gz BWISLWPTUZINNJ-KXBFYZLASA-N 2 1 345.487 4.036 20 5 EIBDMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000161413105 1041207992 /nfs/dbraw/zinc/20/79/92/1041207992.db2.gz CKJLYQVNAJYTFB-CYBMUJFWSA-N 2 1 345.468 4.068 20 5 EIBDMP Cc1c(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000477739533 1024090732 /nfs/dbraw/zinc/09/07/32/1024090732.db2.gz CKKIGJAHVNZRBD-KXBFYZLASA-N 2 1 345.487 4.036 20 5 EIBDMP CCCn1ccnc1CCC[N@@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000191477066 1030950990 /nfs/dbraw/zinc/95/09/90/1030950990.db2.gz FCZDYVGLUWBFPY-INIZCTEOSA-N 2 1 344.459 4.135 20 5 EIBDMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000191477066 1030951009 /nfs/dbraw/zinc/95/10/09/1030951009.db2.gz FCZDYVGLUWBFPY-INIZCTEOSA-N 2 1 344.459 4.135 20 5 EIBDMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000191477066 1030951021 /nfs/dbraw/zinc/95/10/21/1030951021.db2.gz FCZDYVGLUWBFPY-INIZCTEOSA-N 2 1 344.459 4.135 20 5 EIBDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000531909984 1031806603 /nfs/dbraw/zinc/80/66/03/1031806603.db2.gz CWLOHXOILHMNFD-QGZVFWFLSA-N 2 1 345.487 4.071 20 5 EIBDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000531910557 1031807276 /nfs/dbraw/zinc/80/72/76/1031807276.db2.gz MHHWVFVFDNWXOU-QGZVFWFLSA-N 2 1 345.487 4.071 20 5 EIBDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173320192 1054020928 /nfs/dbraw/zinc/02/09/28/1054020928.db2.gz MVMKMZBKSAXUNB-MRXNPFEDSA-N 2 1 341.455 4.286 20 5 EIBDMP Cc1ccc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)cc1[N+](=O)[O-] ZINC000236665930 1022192202 /nfs/dbraw/zinc/19/22/02/1022192202.db2.gz LKPLVGCUBCQNKU-UHFFFAOYSA-N 2 1 341.455 4.033 20 5 EIBDMP CCC[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1cccc([N+](=O)[O-])c1 ZINC000164652154 1024776189 /nfs/dbraw/zinc/77/61/89/1024776189.db2.gz QNXZEEYKFWZBIS-SFHVURJKSA-N 2 1 330.432 4.011 20 5 EIBDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178644335 1027072649 /nfs/dbraw/zinc/07/26/49/1027072649.db2.gz LXFLUWZWFGKJIM-MRXNPFEDSA-N 2 1 341.455 4.286 20 5 EIBDMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447545951 1030148772 /nfs/dbraw/zinc/14/87/72/1030148772.db2.gz ZJSRQKYFDNNOSL-JXFKEZNVSA-N 2 1 345.487 4.074 20 5 EIBDMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000537950559 1040916115 /nfs/dbraw/zinc/91/61/15/1040916115.db2.gz CIDFOVIMDUABCP-VQIMIIECSA-N 2 1 333.476 4.004 20 5 EIBDMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000161412991 1041208554 /nfs/dbraw/zinc/20/85/54/1041208554.db2.gz CKJLYQVNAJYTFB-ZDUSSCGKSA-N 2 1 345.468 4.068 20 5 EIBDMP Cc1c([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000480610935 1041422552 /nfs/dbraw/zinc/42/25/52/1041422552.db2.gz LNLOBDKLLBYSEE-NVXWUHKLSA-N 2 1 333.476 4.066 20 5 EIBDMP CC[NH+](CC)CCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000518247798 1042428241 /nfs/dbraw/zinc/42/82/41/1042428241.db2.gz GUFMBEWQUKPXMV-UHFFFAOYSA-N 2 1 347.484 4.145 20 5 EIBDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173320176 1054021032 /nfs/dbraw/zinc/02/10/32/1054021032.db2.gz MVMKMZBKSAXUNB-INIZCTEOSA-N 2 1 341.455 4.286 20 5 EIBDMP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433286187 1034173608 /nfs/dbraw/zinc/17/36/08/1034173608.db2.gz UJIUJSRUIJFSJG-SFHVURJKSA-N 2 1 345.487 4.170 20 5 EIBDMP CC(C)c1ccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000061003170 1039781857 /nfs/dbraw/zinc/78/18/57/1039781857.db2.gz ZGPNKOOYQXPUTH-UHFFFAOYSA-N 2 1 333.476 4.117 20 5 EIBDMP Cc1c([C@@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000157533895 1019414693 /nfs/dbraw/zinc/41/46/93/1019414693.db2.gz ZIJYNWVZJIPHHR-MRXNPFEDSA-N 2 1 345.487 4.351 20 5 EIBDMP Cc1c([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000480610939 1030502557 /nfs/dbraw/zinc/50/25/57/1030502557.db2.gz LNLOBDKLLBYSEE-RDJZCZTQSA-N 2 1 333.476 4.066 20 5 EIBDMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433172787 1033992371 /nfs/dbraw/zinc/99/23/71/1033992371.db2.gz DMIDMUCHSUUPFY-BEFAXECRSA-N 2 1 345.487 4.027 20 5 EIBDMP Cc1c(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000478484592 1039794733 /nfs/dbraw/zinc/79/47/33/1039794733.db2.gz BWISLWPTUZINNJ-HNAYVOBHSA-N 2 1 345.487 4.036 20 5 EIBDMP Cc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000480605532 1041429871 /nfs/dbraw/zinc/42/98/71/1041429871.db2.gz BUWIDCIHQFQGAO-NVXWUHKLSA-N 2 1 333.476 4.066 20 5 EIBDMP Cc1c(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000873012138 1054476663 /nfs/dbraw/zinc/47/66/63/1054476663.db2.gz NTRAGTZZDHVIRH-UHFFFAOYSA-N 2 1 341.455 4.033 20 5 EIBDMP Cc1c(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000478484591 1039794214 /nfs/dbraw/zinc/79/42/14/1039794214.db2.gz BWISLWPTUZINNJ-DNVCBOLYSA-N 2 1 345.487 4.036 20 5 EIBDMP Cc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000480634043 1041447190 /nfs/dbraw/zinc/44/71/90/1041447190.db2.gz YZLZWJJADAOCSK-DLBZAZTESA-N 2 1 333.476 4.208 20 5 EIBDMP CC(C)c1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000518764591 1042672883 /nfs/dbraw/zinc/67/28/83/1042672883.db2.gz WHQDCMLLGBGSEU-QGZVFWFLSA-N 2 1 347.503 4.320 20 5 EIBDMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001183788646 1051899452 /nfs/dbraw/zinc/89/94/52/1051899452.db2.gz MYXAMZXYODMCFZ-GQIGUUNPSA-N 2 1 345.487 4.289 20 5 EIBDMP C[NH+](C)C1(C[NH2+]Cc2c3ccccc3cc3ccccc32)CCOCC1 ZINC000073008690 1052671732 /nfs/dbraw/zinc/67/17/32/1052671732.db2.gz GACBFUIURAQXSH-UHFFFAOYSA-N 2 1 348.490 4.193 20 5 EIBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000531681539 1031471152 /nfs/dbraw/zinc/47/11/52/1031471152.db2.gz QAUYCBXDELVYEZ-DLBZAZTESA-N 2 1 333.476 4.208 20 5 EIBDMP CC(C)C[NH+]1CCC([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433150072 1033947975 /nfs/dbraw/zinc/94/79/75/1033947975.db2.gz VLVHDSAUGNAOKM-IBGZPJMESA-N 2 1 345.487 4.027 20 5 EIBDMP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000183195531 1035338129 /nfs/dbraw/zinc/33/81/29/1035338129.db2.gz IGYKZUOQMAWHLY-MDYRTPRTSA-N 2 1 345.487 4.289 20 5 EIBDMP Cc1c([C@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000480159295 1041016351 /nfs/dbraw/zinc/01/63/51/1041016351.db2.gz LHMYLERCCRGCSV-KRWDZBQOSA-N 2 1 341.455 4.076 20 5 EIBDMP Cc1c([C@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000480159295 1041016369 /nfs/dbraw/zinc/01/63/69/1041016369.db2.gz LHMYLERCCRGCSV-KRWDZBQOSA-N 2 1 341.455 4.076 20 5 EIBDMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000480644523 1041444079 /nfs/dbraw/zinc/44/40/79/1041444079.db2.gz VJBBSEXLESXQKA-IXDOHACOSA-N 2 1 333.476 4.004 20 5 EIBDMP C[C@H](CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1 ZINC000379624339 1021846409 /nfs/dbraw/zinc/84/64/09/1021846409.db2.gz JNFDVRMFDKRYKF-SJORKVTESA-N 2 1 341.455 4.156 20 5 EIBDMP C[C@H](CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000379624339 1021846412 /nfs/dbraw/zinc/84/64/12/1021846412.db2.gz JNFDVRMFDKRYKF-SJORKVTESA-N 2 1 341.455 4.156 20 5 EIBDMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000488422163 1037576326 /nfs/dbraw/zinc/57/63/26/1037576326.db2.gz LKLRQAKWUAZCDA-MRXNPFEDSA-N 2 1 333.476 4.100 20 5 EIBDMP CCC[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000160486310 1040547342 /nfs/dbraw/zinc/54/73/42/1040547342.db2.gz SOJJPLZJKCHYTD-FQEVSTJZSA-N 2 1 345.487 4.433 20 5 EIBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248404293 1042821721 /nfs/dbraw/zinc/82/17/21/1042821721.db2.gz PXWRKSHUKXJITK-IKGGRYGDSA-N 2 1 345.487 4.207 20 5 EIBDMP C[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000379635501 1021846056 /nfs/dbraw/zinc/84/60/56/1021846056.db2.gz WFWVNABPEOQOKJ-DLBZAZTESA-N 2 1 341.455 4.156 20 5 EIBDMP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000379635501 1021846061 /nfs/dbraw/zinc/84/60/61/1021846061.db2.gz WFWVNABPEOQOKJ-DLBZAZTESA-N 2 1 341.455 4.156 20 5 EIBDMP C[C@@H]([NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000379624337 1021846775 /nfs/dbraw/zinc/84/67/75/1021846775.db2.gz JNFDVRMFDKRYKF-IAGOWNOFSA-N 2 1 341.455 4.156 20 5 EIBDMP C[C@@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000379624337 1021846777 /nfs/dbraw/zinc/84/67/77/1021846777.db2.gz JNFDVRMFDKRYKF-IAGOWNOFSA-N 2 1 341.455 4.156 20 5 EIBDMP Cc1c([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000480610942 1030504415 /nfs/dbraw/zinc/50/44/15/1030504415.db2.gz LNLOBDKLLBYSEE-WBVHZDCISA-N 2 1 333.476 4.066 20 5 EIBDMP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000183195491 1035337597 /nfs/dbraw/zinc/33/75/97/1035337597.db2.gz IGYKZUOQMAWHLY-VPWXQRGCSA-N 2 1 345.487 4.289 20 5 EIBDMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000480644520 1041443902 /nfs/dbraw/zinc/44/39/02/1041443902.db2.gz VJBBSEXLESXQKA-BBWFWOEESA-N 2 1 333.476 4.004 20 5 EIBDMP Cc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000480634045 1041446746 /nfs/dbraw/zinc/44/67/46/1041446746.db2.gz YZLZWJJADAOCSK-IRXDYDNUSA-N 2 1 333.476 4.208 20 5 EIBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173223433 1050354727 /nfs/dbraw/zinc/35/47/27/1050354727.db2.gz IRATZWCZHWUASC-KBAYOESNSA-N 2 1 347.503 4.144 20 5 EIBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173229563 1050357255 /nfs/dbraw/zinc/35/72/55/1050357255.db2.gz NLBYDNSTAHQDKO-IEZWGBDMSA-N 2 1 345.487 4.040 20 5 EIBDMP