smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cnc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1C1C[NH2+]C1 ZINC001164741773 720807613 /nfs/dbraw/zinc/80/76/13/720807613.db2.gz BXOWNMFOQPWXNQ-KGLIPLIRSA-N 2 1 398.427 0.204 20 5 GCBDMP NC(=O)c1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])c1 ZINC000261784972 1185258028 /nfs/dbraw/zinc/25/80/28/1185258028.db2.gz HTDOVQTXYMZSEZ-CZUORRHYSA-N 2 1 389.456 0.774 20 5 GCBDMP COC(=O)COc1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000262113451 1185372551 /nfs/dbraw/zinc/37/25/51/1185372551.db2.gz KTXVVNOFZYLWTF-HNNXBMFYSA-N 2 1 378.429 0.626 20 5 GCBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430611277 1185763013 /nfs/dbraw/zinc/76/30/13/1185763013.db2.gz OCTCFLKMQZYJEQ-ZDUSSCGKSA-N 2 1 393.444 0.719 20 5 GCBDMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000582301554 1186490244 /nfs/dbraw/zinc/49/02/44/1186490244.db2.gz KWMUHNIWPQRXCQ-GJZGRUSLSA-N 2 1 390.440 0.979 20 5 GCBDMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000582301556 1186490293 /nfs/dbraw/zinc/49/02/93/1186490293.db2.gz KWMUHNIWPQRXCQ-LSDHHAIUSA-N 2 1 390.440 0.979 20 5 GCBDMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000584227438 1187017492 /nfs/dbraw/zinc/01/74/92/1187017492.db2.gz QUGNKVAHHBTLRI-MRXNPFEDSA-N 2 1 394.472 0.867 20 5 GCBDMP COc1ccc(NC(=O)CC[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000518797536 1195334676 /nfs/dbraw/zinc/33/46/76/1195334676.db2.gz XGFQCYBLCLTJPY-DGCLKSJQSA-N 2 1 377.401 0.176 20 5 GCBDMP O=[N+]([O-])c1cnc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1C1C[NH2+]C1 ZINC001164741768 720807284 /nfs/dbraw/zinc/80/72/84/720807284.db2.gz BXOWNMFOQPWXNQ-KBPBESRZSA-N 2 1 398.427 0.204 20 5 GCBDMP COCC[N@H+]1CCO[C@H]2CN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)CC[C@H]2C1 ZINC001164855318 720893292 /nfs/dbraw/zinc/89/32/92/720893292.db2.gz BGSHWZICWSFJDN-BBRMVZONSA-N 2 1 392.460 0.245 20 5 GCBDMP COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430614727 1185773673 /nfs/dbraw/zinc/77/36/73/1185773673.db2.gz AFYFVYPLSUXWQA-CYBMUJFWSA-N 2 1 393.444 0.719 20 5 GCBDMP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430614326 1185776653 /nfs/dbraw/zinc/77/66/53/1185776653.db2.gz YCUVDUQNIPPWCO-STQMWFEESA-N 2 1 393.444 0.717 20 5 GCBDMP COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430614326 1185776659 /nfs/dbraw/zinc/77/66/59/1185776659.db2.gz YCUVDUQNIPPWCO-STQMWFEESA-N 2 1 393.444 0.717 20 5 GCBDMP Cc1[nH+]c2c(n1CCO)CC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000582301555 1186490469 /nfs/dbraw/zinc/49/04/69/1186490469.db2.gz KWMUHNIWPQRXCQ-HUUCEWRRSA-N 2 1 390.440 0.979 20 5 GCBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563440638 1186615851 /nfs/dbraw/zinc/61/58/51/1186615851.db2.gz INZZUJJEDUHWQZ-QWHCGFSZSA-N 2 1 377.401 0.176 20 5 GCBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563440638 1186615854 /nfs/dbraw/zinc/61/58/54/1186615854.db2.gz INZZUJJEDUHWQZ-QWHCGFSZSA-N 2 1 377.401 0.176 20 5 GCBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000364914927 1187471836 /nfs/dbraw/zinc/47/18/36/1187471836.db2.gz GNIVEXGIZMBQOH-MRXNPFEDSA-N 2 1 395.456 0.494 20 5 GCBDMP Cc1[nH+]c2c(n1CCO)CC[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000582301553 1187735724 /nfs/dbraw/zinc/73/57/24/1187735724.db2.gz KWMUHNIWPQRXCQ-CABCVRRESA-N 2 1 390.440 0.979 20 5 GCBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000378423267 1189503192 /nfs/dbraw/zinc/50/31/92/1189503192.db2.gz AYPHNZLDNVFFPD-QGZVFWFLSA-N 2 1 395.456 0.494 20 5 GCBDMP Cc1nc(N2C[C@H]3CC[N@H+](C)[C@H]3C2)nc(N2C[C@@H]3CC[NH+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000450779174 1196954457 /nfs/dbraw/zinc/95/44/57/1196954457.db2.gz NAPSXDJVCXHUKY-JJXSEGSLSA-N 2 1 387.488 0.974 20 5 GCBDMP CC(C)[N@H+](C)Cc1nn(-c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)c2c1CC[NH2+]C2 ZINC001164680219 719654407 /nfs/dbraw/zinc/65/44/07/719654407.db2.gz DJRUDLWOTDRMRP-UHFFFAOYSA-N 3 1 386.460 0.743 20 5 GCBDMP CC(C)[N@@H+](C)Cc1nn(-c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)c2c1CC[NH2+]C2 ZINC001164680219 719654412 /nfs/dbraw/zinc/65/44/12/719654412.db2.gz DJRUDLWOTDRMRP-UHFFFAOYSA-N 3 1 386.460 0.743 20 5 GCBDMP C[NH+]1CCN([C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2cccs2)CC1 ZINC000572323912 1192567418 /nfs/dbraw/zinc/56/74/18/1192567418.db2.gz XHLQSGCCZFSBJZ-HZPDHXFCSA-N 2 1 394.501 0.792 20 5 GCBDMP CN(C(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000430607401 1185732040 /nfs/dbraw/zinc/73/20/40/1185732040.db2.gz YMXIGAWTXNPWMW-HNNXBMFYSA-N 2 1 389.456 0.701 20 5 GCBDMP CN(C(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000430607401 1185732045 /nfs/dbraw/zinc/73/20/45/1185732045.db2.gz YMXIGAWTXNPWMW-HNNXBMFYSA-N 2 1 389.456 0.701 20 5 GCBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430611276 1185763505 /nfs/dbraw/zinc/76/35/05/1185763505.db2.gz OCTCFLKMQZYJEQ-CYBMUJFWSA-N 2 1 393.444 0.719 20 5 GCBDMP NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c([N+](=O)[O-])c1 ZINC000430617864 1185786869 /nfs/dbraw/zinc/78/68/69/1185786869.db2.gz PQHYNEFQVAWCNB-OAHLLOKOSA-N 2 1 375.429 0.338 20 5 GCBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430625675 1185809381 /nfs/dbraw/zinc/80/93/81/1185809381.db2.gz KWIIJRAGLCOPIF-HNNXBMFYSA-N 2 1 389.456 0.986 20 5 GCBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430625675 1185809389 /nfs/dbraw/zinc/80/93/89/1185809389.db2.gz KWIIJRAGLCOPIF-HNNXBMFYSA-N 2 1 389.456 0.986 20 5 GCBDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000431006773 1186101852 /nfs/dbraw/zinc/10/18/52/1186101852.db2.gz SQCIBTHDSYSDAY-UHFFFAOYSA-N 2 1 393.492 0.841 20 5 GCBDMP COCC[N@H+]1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)CC[C@@H]2C1 ZINC001164855329 720893145 /nfs/dbraw/zinc/89/31/45/720893145.db2.gz BGSHWZICWSFJDN-CZUORRHYSA-N 2 1 392.460 0.245 20 5 GCBDMP COc1ccc(S(=O)(=O)N2CC[NH+](CC3CC[NH2+]CC3)CC2)cc1[N+](=O)[O-] ZINC000262117913 1185374169 /nfs/dbraw/zinc/37/41/69/1185374169.db2.gz BRQGIJLBCRDTFW-UHFFFAOYSA-N 2 1 398.485 0.909 20 5 GCBDMP CN(C(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000430607404 1185732379 /nfs/dbraw/zinc/73/23/79/1185732379.db2.gz YMXIGAWTXNPWMW-OAHLLOKOSA-N 2 1 389.456 0.701 20 5 GCBDMP CN(C(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000430607404 1185732383 /nfs/dbraw/zinc/73/23/83/1185732383.db2.gz YMXIGAWTXNPWMW-OAHLLOKOSA-N 2 1 389.456 0.701 20 5 GCBDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000430632511 1185822133 /nfs/dbraw/zinc/82/21/33/1185822133.db2.gz YOJSHCGAPKXVNO-CQSZACIVSA-N 2 1 375.429 0.271 20 5 GCBDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000430632511 1185822142 /nfs/dbraw/zinc/82/21/42/1185822142.db2.gz YOJSHCGAPKXVNO-CQSZACIVSA-N 2 1 375.429 0.271 20 5 GCBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563440639 1186616102 /nfs/dbraw/zinc/61/61/02/1186616102.db2.gz INZZUJJEDUHWQZ-STQMWFEESA-N 2 1 377.401 0.176 20 5 GCBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563440639 1186616103 /nfs/dbraw/zinc/61/61/03/1186616103.db2.gz INZZUJJEDUHWQZ-STQMWFEESA-N 2 1 377.401 0.176 20 5 GCBDMP CN(C[C@@H]1CCC[N@H+]1C)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000420640872 1194253006 /nfs/dbraw/zinc/25/30/06/1194253006.db2.gz TVLZDGVVYIJVRR-AWEZNQCLSA-N 2 1 399.517 0.965 20 5 GCBDMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)C1 ZINC001169025171 1201931634 /nfs/dbraw/zinc/93/16/34/1201931634.db2.gz SODUDAXYFLPCCB-IAGOWNOFSA-N 2 1 382.505 0.934 20 5 GCBDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000247244206 1184844928 /nfs/dbraw/zinc/84/49/28/1184844928.db2.gz DQHUTMKKTQUOCE-SOLBZPMBSA-N 2 1 380.493 0.643 20 5 GCBDMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000247244206 1184844934 /nfs/dbraw/zinc/84/49/34/1184844934.db2.gz DQHUTMKKTQUOCE-SOLBZPMBSA-N 2 1 380.493 0.643 20 5 GCBDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000247244206 1184844939 /nfs/dbraw/zinc/84/49/39/1184844939.db2.gz DQHUTMKKTQUOCE-SOLBZPMBSA-N 2 1 380.493 0.643 20 5 GCBDMP NC(=O)c1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])c1 ZINC000261784970 1185257867 /nfs/dbraw/zinc/25/78/67/1185257867.db2.gz HTDOVQTXYMZSEZ-CJNGLKHVSA-N 2 1 389.456 0.774 20 5 GCBDMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430611193 1185763838 /nfs/dbraw/zinc/76/38/38/1185763838.db2.gz NKFAXFBCOOMSIG-BBRMVZONSA-N 2 1 375.429 0.487 20 5 GCBDMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430611193 1185763844 /nfs/dbraw/zinc/76/38/44/1185763844.db2.gz NKFAXFBCOOMSIG-BBRMVZONSA-N 2 1 375.429 0.487 20 5 GCBDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430611195 1185764375 /nfs/dbraw/zinc/76/43/75/1185764375.db2.gz NKFAXFBCOOMSIG-CZUORRHYSA-N 2 1 375.429 0.487 20 5 GCBDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430611195 1185764380 /nfs/dbraw/zinc/76/43/80/1185764380.db2.gz NKFAXFBCOOMSIG-CZUORRHYSA-N 2 1 375.429 0.487 20 5 GCBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430623711 1185806650 /nfs/dbraw/zinc/80/66/50/1185806650.db2.gz HVLIQYPFVVMOCQ-UHFFFAOYSA-N 2 1 379.417 0.296 20 5 GCBDMP COc1ccc(S(=O)(=O)N2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000420303507 1194221198 /nfs/dbraw/zinc/22/11/98/1194221198.db2.gz KLYHIOACZHOQTH-AWEZNQCLSA-N 2 1 398.485 0.909 20 5 GCBDMP O=[N+]([O-])c1cnc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1C1C[NH2+]C1 ZINC001164741775 720807318 /nfs/dbraw/zinc/80/73/18/720807318.db2.gz BXOWNMFOQPWXNQ-UONOGXRCSA-N 2 1 398.427 0.204 20 5 GCBDMP C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC(=O)N1CC[NH2+]CC1 ZINC000430611672 1185759157 /nfs/dbraw/zinc/75/91/57/1185759157.db2.gz PKSPDTODFWGGLG-UHFFFAOYSA-N 2 1 377.401 0.256 20 5 GCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000583118439 1186774648 /nfs/dbraw/zinc/77/46/48/1186774648.db2.gz MWUCVHUXBQKVEG-QRQLOZEOSA-N 2 1 389.456 0.625 20 5 GCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000583118439 1186774650 /nfs/dbraw/zinc/77/46/50/1186774650.db2.gz MWUCVHUXBQKVEG-QRQLOZEOSA-N 2 1 389.456 0.625 20 5 GCBDMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncc([N+](=O)[O-])c(C5C[NH2+]C5)n4)C[C@H]3C2)cn1 ZINC001164761942 721249722 /nfs/dbraw/zinc/24/97/22/721249722.db2.gz KRMSSKPTKQFGEO-GDBMZVCRSA-N 2 1 398.471 0.763 20 5 GCBDMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000154919085 1184501179 /nfs/dbraw/zinc/50/11/79/1184501179.db2.gz AMQWJLOSNBOHAI-UHFFFAOYSA-N 2 1 391.472 0.809 20 5 GCBDMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000154919085 1184501185 /nfs/dbraw/zinc/50/11/85/1184501185.db2.gz AMQWJLOSNBOHAI-UHFFFAOYSA-N 2 1 391.472 0.809 20 5 GCBDMP COc1ccc(NC(=O)CC[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430614730 1185773645 /nfs/dbraw/zinc/77/36/45/1185773645.db2.gz AFYFVYPLSUXWQA-ZDUSSCGKSA-N 2 1 393.444 0.719 20 5 GCBDMP COc1ccc(NC(=O)CC[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000430617465 1185789758 /nfs/dbraw/zinc/78/97/58/1185789758.db2.gz MXVAVUFEDCGCQW-UHFFFAOYSA-N 2 1 379.417 0.296 20 5 GCBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430638742 1185843158 /nfs/dbraw/zinc/84/31/58/1185843158.db2.gz DGXMLFNQUYBZLN-OAHLLOKOSA-N 2 1 389.456 0.986 20 5 GCBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430638742 1185843164 /nfs/dbraw/zinc/84/31/64/1185843164.db2.gz DGXMLFNQUYBZLN-OAHLLOKOSA-N 2 1 389.456 0.986 20 5 GCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000583118442 1186774507 /nfs/dbraw/zinc/77/45/07/1186774507.db2.gz MWUCVHUXBQKVEG-UHOSZYNNSA-N 2 1 389.456 0.625 20 5 GCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000583118442 1186774509 /nfs/dbraw/zinc/77/45/09/1186774509.db2.gz MWUCVHUXBQKVEG-UHOSZYNNSA-N 2 1 389.456 0.625 20 5 GCBDMP COc1ccc(S(=O)(=O)N2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000420303510 1194221027 /nfs/dbraw/zinc/22/10/27/1194221027.db2.gz KLYHIOACZHOQTH-CQSZACIVSA-N 2 1 398.485 0.909 20 5 GCBDMP COc1ccc(NC(=O)CC[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000518797535 1195334523 /nfs/dbraw/zinc/33/45/23/1195334523.db2.gz XGFQCYBLCLTJPY-AAEUAGOBSA-N 2 1 377.401 0.176 20 5 GCBDMP Cc1nc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)nc(N2C[C@@H]3C[NH+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000302827439 1199928564 /nfs/dbraw/zinc/92/85/64/1199928564.db2.gz BKMVZEANBUSAOK-GEEKYZPCSA-N 2 1 387.488 0.689 20 5 GCBDMP Cc1nc(N2C[C@@H]3C[NH+](C)C[C@@H]3C2)nc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000302827439 1199928567 /nfs/dbraw/zinc/92/85/67/1199928567.db2.gz BKMVZEANBUSAOK-GEEKYZPCSA-N 2 1 387.488 0.689 20 5 GCBDMP Cc1nc(N2C[C@@H]3C[NH+](C)C[C@@H]3C2)nc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000302827439 1199928569 /nfs/dbraw/zinc/92/85/69/1199928569.db2.gz BKMVZEANBUSAOK-GEEKYZPCSA-N 2 1 387.488 0.689 20 5 GCBDMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170307848 1205490745 /nfs/dbraw/zinc/49/07/45/1205490745.db2.gz JBHJQYCSDUAQNS-RISCZKNCSA-N 2 1 381.433 0.929 20 5 GCBDMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncc([N+](=O)[O-])c(C5C[NH2+]C5)n4)C[C@@H]3C2)cn1 ZINC001164761944 721248933 /nfs/dbraw/zinc/24/89/33/721248933.db2.gz KRMSSKPTKQFGEO-HOCLYGCPSA-N 2 1 398.471 0.763 20 5 GCBDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430611194 1185763804 /nfs/dbraw/zinc/76/38/04/1185763804.db2.gz NKFAXFBCOOMSIG-CJNGLKHVSA-N 2 1 375.429 0.487 20 5 GCBDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430611194 1185763808 /nfs/dbraw/zinc/76/38/08/1185763808.db2.gz NKFAXFBCOOMSIG-CJNGLKHVSA-N 2 1 375.429 0.487 20 5 GCBDMP COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430614324 1185777169 /nfs/dbraw/zinc/77/71/69/1185777169.db2.gz YCUVDUQNIPPWCO-OLZOCXBDSA-N 2 1 393.444 0.717 20 5 GCBDMP COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430614324 1185777174 /nfs/dbraw/zinc/77/71/74/1185777174.db2.gz YCUVDUQNIPPWCO-OLZOCXBDSA-N 2 1 393.444 0.717 20 5 GCBDMP C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188262792 1187271168 /nfs/dbraw/zinc/27/11/68/1187271168.db2.gz GVNRAVIVUUPJQC-RTBURBONSA-N 2 1 389.456 0.721 20 5 GCBDMP C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188262792 1187271172 /nfs/dbraw/zinc/27/11/72/1187271172.db2.gz GVNRAVIVUUPJQC-RTBURBONSA-N 2 1 389.456 0.721 20 5 GCBDMP C[NH+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188262792 1187271179 /nfs/dbraw/zinc/27/11/79/1187271179.db2.gz GVNRAVIVUUPJQC-RTBURBONSA-N 2 1 389.456 0.721 20 5 GCBDMP C[NH+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188262792 1187271185 /nfs/dbraw/zinc/27/11/85/1187271185.db2.gz GVNRAVIVUUPJQC-RTBURBONSA-N 2 1 389.456 0.721 20 5 GCBDMP COC(=O)COc1ccc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000474364033 1196112206 /nfs/dbraw/zinc/11/22/06/1196112206.db2.gz ZGNBEYOYZHAGFV-UHFFFAOYSA-N 2 1 394.428 0.400 20 5 GCBDMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)C1 ZINC001169025169 1201931464 /nfs/dbraw/zinc/93/14/64/1201931464.db2.gz SODUDAXYFLPCCB-DLBZAZTESA-N 2 1 382.505 0.934 20 5 GCBDMP O=[N+]([O-])c1cnc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1C1C[NH2+]C1 ZINC001164741776 720807186 /nfs/dbraw/zinc/80/71/86/720807186.db2.gz BXOWNMFOQPWXNQ-ZIAGYGMSSA-N 2 1 398.427 0.204 20 5 GCBDMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncc([N+](=O)[O-])c(C5C[NH2+]C5)n4)C[C@@H]3C2)cn1 ZINC001164761945 721249997 /nfs/dbraw/zinc/24/99/97/721249997.db2.gz KRMSSKPTKQFGEO-ZBFHGGJFSA-N 2 1 398.471 0.763 20 5 GCBDMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000247244190 1184845307 /nfs/dbraw/zinc/84/53/07/1184845307.db2.gz DQHUTMKKTQUOCE-JFIYKMOQSA-N 2 1 380.493 0.643 20 5 GCBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430604060 1185688226 /nfs/dbraw/zinc/68/82/26/1185688226.db2.gz LSLONQBQAWQTEN-UHFFFAOYSA-N 2 1 379.417 0.296 20 5 GCBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430606478 1185723198 /nfs/dbraw/zinc/72/31/98/1185723198.db2.gz VWXXKZHQLFRMEO-CYBMUJFWSA-N 2 1 393.444 0.719 20 5 GCBDMP CN1CC[NH+](Cc2ccc(C[NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)cc2)CC1 ZINC000582415336 1187737547 /nfs/dbraw/zinc/73/75/47/1187737547.db2.gz OZVGZISOODCNEN-IBGZPJMESA-N 2 1 388.472 0.689 20 5 GCBDMP CN(C)c1[nH+]cc(CN(CC[NH3+])c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])n1C ZINC000425383982 1194936502 /nfs/dbraw/zinc/93/65/02/1194936502.db2.gz PYFPBRPAFRLQRZ-UHFFFAOYSA-N 2 1 396.473 0.763 20 5 GCBDMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170307847 1205490936 /nfs/dbraw/zinc/49/09/36/1205490936.db2.gz JBHJQYCSDUAQNS-FZMZJTMJSA-N 2 1 381.433 0.929 20 5 GCBDMP CNC(=O)C[N@H+]1CCCC12CCN(c1ncc([N+](=O)[O-])c(C3C[NH2+]C3)n1)CC2 ZINC001164692856 719757831 /nfs/dbraw/zinc/75/78/31/719757831.db2.gz WHSURDMYLNXYAN-UHFFFAOYSA-N 2 1 389.460 0.252 20 5 GCBDMP O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165035332 721903634 /nfs/dbraw/zinc/90/36/34/721903634.db2.gz AUCFJLRXWAVBLS-AWEZNQCLSA-N 2 1 377.449 0.095 20 5 GCBDMP NC(=O)c1ccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])c1 ZINC000261784976 1185258126 /nfs/dbraw/zinc/25/81/26/1185258126.db2.gz HTDOVQTXYMZSEZ-XJKSGUPXSA-N 2 1 389.456 0.774 20 5 GCBDMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000430607698 1185729782 /nfs/dbraw/zinc/72/97/82/1185729782.db2.gz CTKTZMGSXZGOEY-ZDUSSCGKSA-N 2 1 391.428 0.680 20 5 GCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000583118438 1186774582 /nfs/dbraw/zinc/77/45/82/1186774582.db2.gz MWUCVHUXBQKVEG-BHIYHBOVSA-N 2 1 389.456 0.625 20 5 GCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000583118438 1186774585 /nfs/dbraw/zinc/77/45/85/1186774585.db2.gz MWUCVHUXBQKVEG-BHIYHBOVSA-N 2 1 389.456 0.625 20 5 GCBDMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000584227437 1187017880 /nfs/dbraw/zinc/01/78/80/1187017880.db2.gz QUGNKVAHHBTLRI-INIZCTEOSA-N 2 1 394.472 0.867 20 5 GCBDMP O=C(CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)N1CC[NH2+]CC1 ZINC000262146577 1185384199 /nfs/dbraw/zinc/38/41/99/1185384199.db2.gz OXJBYINTTJBCKW-UHFFFAOYSA-N 2 1 375.429 0.175 20 5 GCBDMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430611196 1185764562 /nfs/dbraw/zinc/76/45/62/1185764562.db2.gz NKFAXFBCOOMSIG-XJKSGUPXSA-N 2 1 375.429 0.487 20 5 GCBDMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430611196 1185764567 /nfs/dbraw/zinc/76/45/67/1185764567.db2.gz NKFAXFBCOOMSIG-XJKSGUPXSA-N 2 1 375.429 0.487 20 5 GCBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563440636 1186615984 /nfs/dbraw/zinc/61/59/84/1186615984.db2.gz INZZUJJEDUHWQZ-CHWSQXEVSA-N 2 1 377.401 0.176 20 5 GCBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563440636 1186615985 /nfs/dbraw/zinc/61/59/85/1186615985.db2.gz INZZUJJEDUHWQZ-CHWSQXEVSA-N 2 1 377.401 0.176 20 5 GCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000583118441 1186774600 /nfs/dbraw/zinc/77/46/00/1186774600.db2.gz MWUCVHUXBQKVEG-QXAKKESOSA-N 2 1 389.456 0.625 20 5 GCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000583118441 1186774601 /nfs/dbraw/zinc/77/46/01/1186774601.db2.gz MWUCVHUXBQKVEG-QXAKKESOSA-N 2 1 389.456 0.625 20 5 GCBDMP CN(C[C@H]1CCC[N@H+]1C)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000420640875 1194252940 /nfs/dbraw/zinc/25/29/40/1194252940.db2.gz TVLZDGVVYIJVRR-CQSZACIVSA-N 2 1 399.517 0.965 20 5 GCBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000426975922 1195498514 /nfs/dbraw/zinc/49/85/14/1195498514.db2.gz CSRVMRAZJYCOAQ-HNNXBMFYSA-N 2 1 381.481 0.849 20 5 GCBDMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)C1 ZINC001169025173 1201931358 /nfs/dbraw/zinc/93/13/58/1201931358.db2.gz SODUDAXYFLPCCB-IRXDYDNUSA-N 2 1 382.505 0.934 20 5 GCBDMP O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164966229 722069270 /nfs/dbraw/zinc/06/92/70/722069270.db2.gz ZGIMATTWAGZFQI-GASCZTMLSA-N 2 1 389.460 0.094 20 5 GCBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430617983 1185787488 /nfs/dbraw/zinc/78/74/88/1185787488.db2.gz QJSMRLXGLSYTSD-CHWSQXEVSA-N 2 1 393.444 0.717 20 5 GCBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430617983 1185787493 /nfs/dbraw/zinc/78/74/93/1185787493.db2.gz QJSMRLXGLSYTSD-CHWSQXEVSA-N 2 1 393.444 0.717 20 5 GCBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430617985 1185787691 /nfs/dbraw/zinc/78/76/91/1185787691.db2.gz QJSMRLXGLSYTSD-QWHCGFSZSA-N 2 1 393.444 0.717 20 5 GCBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430617985 1185787692 /nfs/dbraw/zinc/78/76/92/1185787692.db2.gz QJSMRLXGLSYTSD-QWHCGFSZSA-N 2 1 393.444 0.717 20 5 GCBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430625676 1185809678 /nfs/dbraw/zinc/80/96/78/1185809678.db2.gz KWIIJRAGLCOPIF-OAHLLOKOSA-N 2 1 389.456 0.986 20 5 GCBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430625676 1185809687 /nfs/dbraw/zinc/80/96/87/1185809687.db2.gz KWIIJRAGLCOPIF-OAHLLOKOSA-N 2 1 389.456 0.986 20 5 GCBDMP Cc1cc(N2CCC([NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)nc(C)[nH+]1 ZINC000582601358 1187758425 /nfs/dbraw/zinc/75/84/25/1187758425.db2.gz JWNHIFLBZULFKD-MRXNPFEDSA-N 2 1 375.433 0.818 20 5 GCBDMP [NH3+]CCN1CC[NH+](C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001173691263 1205726407 /nfs/dbraw/zinc/72/64/07/1205726407.db2.gz KKHQMSXKCAEOHC-UHFFFAOYSA-N 2 1 397.501 0.324 20 5 GCBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430617984 1185787370 /nfs/dbraw/zinc/78/73/70/1185787370.db2.gz QJSMRLXGLSYTSD-OLZOCXBDSA-N 2 1 393.444 0.717 20 5 GCBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430617984 1185787374 /nfs/dbraw/zinc/78/73/74/1185787374.db2.gz QJSMRLXGLSYTSD-OLZOCXBDSA-N 2 1 393.444 0.717 20 5 GCBDMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)C1 ZINC001169025175 1201931573 /nfs/dbraw/zinc/93/15/73/1201931573.db2.gz SODUDAXYFLPCCB-SJORKVTESA-N 2 1 382.505 0.934 20 5 GCBDMP COCC[N@H+]1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)CC[C@H]2C1 ZINC001164855332 720893050 /nfs/dbraw/zinc/89/30/50/720893050.db2.gz BGSHWZICWSFJDN-XJKSGUPXSA-N 2 1 392.460 0.245 20 5 GCBDMP O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165035347 721903556 /nfs/dbraw/zinc/90/35/56/721903556.db2.gz AUCFJLRXWAVBLS-CQSZACIVSA-N 2 1 377.449 0.095 20 5 GCBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430606479 1185722686 /nfs/dbraw/zinc/72/26/86/1185722686.db2.gz VWXXKZHQLFRMEO-ZDUSSCGKSA-N 2 1 393.444 0.719 20 5 GCBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430617986 1185787612 /nfs/dbraw/zinc/78/76/12/1185787612.db2.gz QJSMRLXGLSYTSD-STQMWFEESA-N 2 1 393.444 0.717 20 5 GCBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430617986 1185787617 /nfs/dbraw/zinc/78/76/17/1185787617.db2.gz QJSMRLXGLSYTSD-STQMWFEESA-N 2 1 393.444 0.717 20 5 GCBDMP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000378423264 1189502992 /nfs/dbraw/zinc/50/29/92/1189502992.db2.gz AYPHNZLDNVFFPD-KRWDZBQOSA-N 2 1 395.456 0.494 20 5 GCBDMP COc1ccc(NC(=O)CC[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000518797537 1195334326 /nfs/dbraw/zinc/33/43/26/1195334326.db2.gz XGFQCYBLCLTJPY-WCQYABFASA-N 2 1 377.401 0.176 20 5 GCBDMP COc1ccc(NC(=O)CC[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000518797538 1195334456 /nfs/dbraw/zinc/33/44/56/1195334456.db2.gz XGFQCYBLCLTJPY-YPMHNXCESA-N 2 1 377.401 0.176 20 5 GCBDMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000443494909 1196061265 /nfs/dbraw/zinc/06/12/65/1196061265.db2.gz AMEXBACRSXXIKX-UONOGXRCSA-N 2 1 399.517 0.964 20 5 GCBDMP Cc1nc(NCC[N@@H+]2CC=CCC2)nc(NCC[NH+]2CC=CCC2)c1[N+](=O)[O-] ZINC000530430011 1196987138 /nfs/dbraw/zinc/98/71/38/1196987138.db2.gz DQJPWAKPVIMYSD-UHFFFAOYSA-N 2 1 387.488 0.885 20 5 GCBDMP Cc1nc(NCC[NH+]2CC=CCC2)nc(NCC[N@H+]2CC=CCC2)c1[N+](=O)[O-] ZINC000530430011 1196987140 /nfs/dbraw/zinc/98/71/40/1196987140.db2.gz DQJPWAKPVIMYSD-UHFFFAOYSA-N 2 1 387.488 0.885 20 5 GCBDMP Cc1nc(NCC[NH+]2CC=CCC2)nc(NCC[N@@H+]2CC=CCC2)c1[N+](=O)[O-] ZINC000530430011 1196987142 /nfs/dbraw/zinc/98/71/42/1196987142.db2.gz DQJPWAKPVIMYSD-UHFFFAOYSA-N 2 1 387.488 0.885 20 5 GCBDMP COCC[N@H+]1CCO[C@H]2CN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)CC[C@@H]2C1 ZINC001164855326 720893006 /nfs/dbraw/zinc/89/30/06/720893006.db2.gz BGSHWZICWSFJDN-CJNGLKHVSA-N 2 1 392.460 0.245 20 5 GCBDMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncc([N+](=O)[O-])c(C5C[NH2+]C5)n4)C[C@H]3C2)cn1 ZINC001164761943 721249112 /nfs/dbraw/zinc/24/91/12/721249112.db2.gz KRMSSKPTKQFGEO-GOEBONIOSA-N 2 1 398.471 0.763 20 5 GCBDMP O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CC[NH+](CCc2ccccn2)CC1 ZINC001165053255 722009975 /nfs/dbraw/zinc/00/99/75/722009975.db2.gz CVWRUKPDBFFOPF-UHFFFAOYSA-N 2 1 398.471 0.554 20 5 GCBDMP NC(=O)c1ccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])c1 ZINC000261784967 1185257806 /nfs/dbraw/zinc/25/78/06/1185257806.db2.gz HTDOVQTXYMZSEZ-BBRMVZONSA-N 2 1 389.456 0.774 20 5 GCBDMP NC(=O)c1ccc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c([N+](=O)[O-])c1 ZINC000430617863 1185786746 /nfs/dbraw/zinc/78/67/46/1185786746.db2.gz PQHYNEFQVAWCNB-HNNXBMFYSA-N 2 1 375.429 0.338 20 5 GCBDMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000430632510 1185821778 /nfs/dbraw/zinc/82/17/78/1185821778.db2.gz YOJSHCGAPKXVNO-AWEZNQCLSA-N 2 1 375.429 0.271 20 5 GCBDMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000430632510 1185821785 /nfs/dbraw/zinc/82/17/85/1185821785.db2.gz YOJSHCGAPKXVNO-AWEZNQCLSA-N 2 1 375.429 0.271 20 5 GCBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430638740 1185842399 /nfs/dbraw/zinc/84/23/99/1185842399.db2.gz DGXMLFNQUYBZLN-HNNXBMFYSA-N 2 1 389.456 0.986 20 5 GCBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430638740 1185842408 /nfs/dbraw/zinc/84/24/08/1185842408.db2.gz DGXMLFNQUYBZLN-HNNXBMFYSA-N 2 1 389.456 0.986 20 5 GCBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563440637 1186616117 /nfs/dbraw/zinc/61/61/17/1186616117.db2.gz INZZUJJEDUHWQZ-OLZOCXBDSA-N 2 1 377.401 0.176 20 5 GCBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563440637 1186616122 /nfs/dbraw/zinc/61/61/22/1186616122.db2.gz INZZUJJEDUHWQZ-OLZOCXBDSA-N 2 1 377.401 0.176 20 5 GCBDMP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000364914916 1187471655 /nfs/dbraw/zinc/47/16/55/1187471655.db2.gz GNIVEXGIZMBQOH-INIZCTEOSA-N 2 1 395.456 0.494 20 5 GCBDMP Cc1cc(N2CCC([NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)nc(C)[nH+]1 ZINC000582601355 1187758270 /nfs/dbraw/zinc/75/82/70/1187758270.db2.gz JWNHIFLBZULFKD-INIZCTEOSA-N 2 1 375.433 0.818 20 5 GCBDMP COC(=O)COc1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1[N+](=O)[O-] ZINC000261749214 1193865020 /nfs/dbraw/zinc/86/50/20/1193865020.db2.gz CBOYIQIRLOWHRW-CQSZACIVSA-N 2 1 394.428 0.434 20 5 GCBDMP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)C[C@H](C)O1 ZINC000173623527 1200356785 /nfs/dbraw/zinc/35/67/85/1200356785.db2.gz JNBFZWKBOYWNMU-DAYGRLMNSA-N 2 1 381.477 0.973 20 5 GCBDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000430607695 1185729722 /nfs/dbraw/zinc/72/97/22/1185729722.db2.gz CTKTZMGSXZGOEY-CYBMUJFWSA-N 2 1 391.428 0.680 20 5 GCBDMP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430614325 1185776781 /nfs/dbraw/zinc/77/67/81/1185776781.db2.gz YCUVDUQNIPPWCO-QWHCGFSZSA-N 2 1 393.444 0.717 20 5 GCBDMP COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430614325 1185776785 /nfs/dbraw/zinc/77/67/85/1185776785.db2.gz YCUVDUQNIPPWCO-QWHCGFSZSA-N 2 1 393.444 0.717 20 5 GCBDMP COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430614323 1185777194 /nfs/dbraw/zinc/77/71/94/1185777194.db2.gz YCUVDUQNIPPWCO-CHWSQXEVSA-N 2 1 393.444 0.717 20 5 GCBDMP COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430614323 1185777200 /nfs/dbraw/zinc/77/72/00/1185777200.db2.gz YCUVDUQNIPPWCO-CHWSQXEVSA-N 2 1 393.444 0.717 20 5 GCBDMP CN1CC[NH+](Cc2ccc(C[NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)cc2)CC1 ZINC000582415337 1186526650 /nfs/dbraw/zinc/52/66/50/1186526650.db2.gz OZVGZISOODCNEN-LJQANCHMSA-N 2 1 388.472 0.689 20 5 GCBDMP C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188262769 1187270719 /nfs/dbraw/zinc/27/07/19/1187270719.db2.gz GVNRAVIVUUPJQC-RBUKOAKNSA-N 2 1 389.456 0.721 20 5 GCBDMP C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188262769 1187270722 /nfs/dbraw/zinc/27/07/22/1187270722.db2.gz GVNRAVIVUUPJQC-RBUKOAKNSA-N 2 1 389.456 0.721 20 5 GCBDMP C[NH+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188262769 1187270725 /nfs/dbraw/zinc/27/07/25/1187270725.db2.gz GVNRAVIVUUPJQC-RBUKOAKNSA-N 2 1 389.456 0.721 20 5 GCBDMP C[NH+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188262769 1187270728 /nfs/dbraw/zinc/27/07/28/1187270728.db2.gz GVNRAVIVUUPJQC-RBUKOAKNSA-N 2 1 389.456 0.721 20 5 GCBDMP COC(=O)COc1ccc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1[N+](=O)[O-] ZINC000261749212 1193865292 /nfs/dbraw/zinc/86/52/92/1193865292.db2.gz CBOYIQIRLOWHRW-AWEZNQCLSA-N 2 1 394.428 0.434 20 5 GCBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000426975924 1195498337 /nfs/dbraw/zinc/49/83/37/1195498337.db2.gz CSRVMRAZJYCOAQ-OAHLLOKOSA-N 2 1 381.481 0.849 20 5 GCBDMP