smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(N[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000826270613 947783644 /nfs/dbraw/zinc/78/36/44/947783644.db2.gz HLAKSUXWEVXFQN-LBPRGKRZSA-N 1 0 375.392 3.227 20 5 GGBDRO Cc1ccc(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)cc1[N+](=O)[O-] ZINC000826288188 947837585 /nfs/dbraw/zinc/83/75/85/947837585.db2.gz VHVKTDSXTHWOKO-UHFFFAOYSA-N 1 0 394.435 3.127 20 5 GGBDRO CC1(c2ccccc2)CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001575856489 949247074 /nfs/dbraw/zinc/24/70/74/949247074.db2.gz GHONQXPARORHES-UHFFFAOYSA-N 1 0 378.436 3.329 20 5 GGBDRO O=C([O-])c1cccc(C[NH2+]CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001595244895 949509328 /nfs/dbraw/zinc/50/93/28/949509328.db2.gz DADRGNVCFAMWSV-UHFFFAOYSA-N 1 0 397.475 3.337 20 5 GGBDRO C[C@H](C(=O)[O-])[N@H+](CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)C1CCC1 ZINC001589486404 987027945 /nfs/dbraw/zinc/02/79/45/987027945.db2.gz NXXXNUJSJPGMIO-MRXNPFEDSA-N 1 0 389.496 3.177 20 5 GGBDRO COc1ccc([C@@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)[NH+]2CCCCC2)cc1 ZINC000005689749 204147007 /nfs/dbraw/zinc/14/70/07/204147007.db2.gz MAEJNZDTQSSYQV-HXUWFJFHSA-N 1 0 398.463 3.143 20 5 GGBDRO CC(C)[NH+](CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C(C)C ZINC000047776547 205111193 /nfs/dbraw/zinc/11/11/93/205111193.db2.gz SZXWLQZQIDDUQW-UHFFFAOYSA-N 1 0 391.390 3.385 20 5 GGBDRO CC(C)[C@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[NH+]1CCC(C)CC1 ZINC000058161491 205165985 /nfs/dbraw/zinc/16/59/85/205165985.db2.gz ZRRAEIKPBUZCID-FQEVSTJZSA-N 1 0 399.495 3.267 20 5 GGBDRO COc1ccc(C[N@@H+]2CCCN(c3nc4sccn4c3[N+](=O)[O-])CC2)cc1 ZINC000058489363 205177364 /nfs/dbraw/zinc/17/73/64/205177364.db2.gz ABFMRVHZTLXSRQ-UHFFFAOYSA-N 1 0 387.465 3.025 20 5 GGBDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000565803800 567100758 /nfs/dbraw/zinc/10/07/58/567100758.db2.gz PWVXAFPAKGPMRC-GXFFZTMASA-N 1 0 392.237 3.086 20 5 GGBDRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000117234190 564224614 /nfs/dbraw/zinc/22/46/14/564224614.db2.gz GAHYJEGYHUKGJK-UHFFFAOYSA-N 1 0 380.857 3.314 20 5 GGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000118949088 564248512 /nfs/dbraw/zinc/24/85/12/564248512.db2.gz QUWFHVNMOZDDEY-CHWSQXEVSA-N 1 0 398.301 3.455 20 5 GGBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000119380331 564268054 /nfs/dbraw/zinc/26/80/54/564268054.db2.gz BVCPLXLWPJPRNI-UHFFFAOYSA-N 1 0 384.274 3.350 20 5 GGBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000119503974 564274477 /nfs/dbraw/zinc/27/44/77/564274477.db2.gz FDDYHRLCZXSSNR-GFCCVEGCSA-N 1 0 384.274 3.208 20 5 GGBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000119702901 564284070 /nfs/dbraw/zinc/28/40/70/564284070.db2.gz WWIZOSORXTZUEP-LBPRGKRZSA-N 1 0 384.274 3.065 20 5 GGBDRO CCCC[NH+]1CCC(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000119940305 564296161 /nfs/dbraw/zinc/29/61/61/564296161.db2.gz FQYCHXLDEAZESR-UHFFFAOYSA-N 1 0 384.274 3.352 20 5 GGBDRO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[N@@H+]1CCC[C@@H](C)C1 ZINC000120382742 564318099 /nfs/dbraw/zinc/31/80/99/564318099.db2.gz JYJWSZBUSNDNOU-OLZOCXBDSA-N 1 0 398.301 3.136 20 5 GGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000120936668 564344385 /nfs/dbraw/zinc/34/43/85/564344385.db2.gz XUKGBHNQGGTTOA-CQSZACIVSA-N 1 0 398.301 3.233 20 5 GGBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccc(Br)o1 ZINC000030217583 564377681 /nfs/dbraw/zinc/37/76/81/564377681.db2.gz HYDMDANXVBWUOK-UHFFFAOYSA-N 1 0 382.214 3.411 20 5 GGBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000032441041 564400351 /nfs/dbraw/zinc/40/03/51/564400351.db2.gz DMKKEKOEBGSPSG-RYUDHWBXSA-N 1 0 389.905 3.098 20 5 GGBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000122439703 564413560 /nfs/dbraw/zinc/41/35/60/564413560.db2.gz WBYINQPFHDQTBW-CYBMUJFWSA-N 1 0 396.285 3.305 20 5 GGBDRO Cc1c(Br)cc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000123966223 564467344 /nfs/dbraw/zinc/46/73/44/564467344.db2.gz BNOJCSFJKBNLFZ-GFCCVEGCSA-N 1 0 384.274 3.080 20 5 GGBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H](CO)c1cccc(Br)c1 ZINC000125544555 564517429 /nfs/dbraw/zinc/51/74/29/564517429.db2.gz VLJOMODSXKTYEC-MRXNPFEDSA-N 1 0 395.253 3.402 20 5 GGBDRO Cc1c(Br)cc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000126776774 564562037 /nfs/dbraw/zinc/56/20/37/564562037.db2.gz ZKAAEPKHUYBDJY-CHWSQXEVSA-N 1 0 384.274 3.268 20 5 GGBDRO Cc1c(Br)cc(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000127374501 564581759 /nfs/dbraw/zinc/58/17/59/564581759.db2.gz HGRNXVBHJZLZDA-ZDUSSCGKSA-N 1 0 398.301 3.373 20 5 GGBDRO CC[NH+](CC)[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])CC(C)C ZINC000129113207 564639095 /nfs/dbraw/zinc/63/90/95/564639095.db2.gz SIXFFCDAFJBUGZ-LBPRGKRZSA-N 1 0 377.532 3.228 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCCS3(=O)=O)o2)c(Cl)c1 ZINC000131769572 564723010 /nfs/dbraw/zinc/72/30/10/564723010.db2.gz JQJDVZNTVZMAPM-ZDUSSCGKSA-N 1 0 384.841 3.175 20 5 GGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)n1 ZINC000134456436 564803540 /nfs/dbraw/zinc/80/35/40/564803540.db2.gz GKCOMAOBTPJPAQ-SNVBAGLBSA-N 1 0 375.376 3.146 20 5 GGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@]2(CO)CCc3ccccc32)ccc1Br ZINC000135907061 564842781 /nfs/dbraw/zinc/84/27/81/564842781.db2.gz CRUFOHXRTUFSDG-QGZVFWFLSA-N 1 0 377.238 3.281 20 5 GGBDRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000070690682 564849902 /nfs/dbraw/zinc/84/99/02/564849902.db2.gz GRSGTPCXSCCETL-UHFFFAOYSA-N 1 0 380.857 3.314 20 5 GGBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000078604257 564863752 /nfs/dbraw/zinc/86/37/52/564863752.db2.gz LGJPHZCENHPACB-JTQLQIEISA-N 1 0 380.798 3.315 20 5 GGBDRO CC1CC[NH+](CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000151556245 564926304 /nfs/dbraw/zinc/92/63/04/564926304.db2.gz QZIVWELTHJBDLP-UHFFFAOYSA-N 1 0 398.301 3.138 20 5 GGBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 ZINC000152611268 564965337 /nfs/dbraw/zinc/96/53/37/564965337.db2.gz SSXUPYHQTLZTAE-SECBINFHSA-N 1 0 390.665 3.034 20 5 GGBDRO C[NH+](C)CC(C)(C)CNc1ccc(I)cc1[N+](=O)[O-] ZINC000107800721 565002464 /nfs/dbraw/zinc/00/24/64/565002464.db2.gz RNOOLFSOUYNFKW-UHFFFAOYSA-N 1 0 377.226 3.199 20 5 GGBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(Oc3cccc(Br)c3)CC2)c1 ZINC000183824188 565096554 /nfs/dbraw/zinc/09/65/54/565096554.db2.gz JRRJDBZOHXAHKW-UHFFFAOYSA-N 1 0 395.257 3.097 20 5 GGBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(Oc3cccc(Br)c3)CC2)n1 ZINC000183823994 565097263 /nfs/dbraw/zinc/09/72/63/565097263.db2.gz SKIZEHXNVARQSF-UHFFFAOYSA-N 1 0 395.257 3.097 20 5 GGBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC([NH+]2CC=CC2)CC1 ZINC000156685663 565101148 /nfs/dbraw/zinc/10/11/48/565101148.db2.gz KMUJCLYJSFPPKQ-UHFFFAOYSA-N 1 0 395.257 3.225 20 5 GGBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000267488659 565119634 /nfs/dbraw/zinc/11/96/34/565119634.db2.gz VWSIFQZEUOZIMO-ZDUSSCGKSA-N 1 0 382.258 3.058 20 5 GGBDRO CC[NH+](CC)CCCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267921153 565135224 /nfs/dbraw/zinc/13/52/24/565135224.db2.gz JPVDBFGNBHWUJW-UHFFFAOYSA-N 1 0 390.253 3.348 20 5 GGBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000268278324 565145816 /nfs/dbraw/zinc/14/58/16/565145816.db2.gz XRDPHIWSSOSVIT-LBPRGKRZSA-N 1 0 384.274 3.065 20 5 GGBDRO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1Br)[NH+]1CCCCC1 ZINC000158687902 565177878 /nfs/dbraw/zinc/17/78/78/565177878.db2.gz OWKOXBSQAVMYLC-UHFFFAOYSA-N 1 0 384.274 3.352 20 5 GGBDRO O=C(NCCCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000294059624 565196116 /nfs/dbraw/zinc/19/61/16/565196116.db2.gz YUTSNOQJPTZZFR-UHFFFAOYSA-N 1 0 384.274 3.353 20 5 GGBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000269673959 565196754 /nfs/dbraw/zinc/19/67/54/565196754.db2.gz JEHSPHUQVSMGFN-MRVPVSSYSA-N 1 0 378.654 3.081 20 5 GGBDRO C[NH+](C)CC1(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCCC1 ZINC000186181148 565244887 /nfs/dbraw/zinc/24/48/87/565244887.db2.gz WDJSOFDHARRMBM-UHFFFAOYSA-N 1 0 384.274 3.209 20 5 GGBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(NC2CC[NH+](C3CCCCC3)CC2)s1 ZINC000271344214 565248672 /nfs/dbraw/zinc/24/86/72/565248672.db2.gz GPBVPCSUDRHSIL-UHFFFAOYSA-N 1 0 387.527 3.269 20 5 GGBDRO COc1cc(C[NH2+]C[C@H]2CSCCS2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272441700 565287827 /nfs/dbraw/zinc/28/78/27/565287827.db2.gz OOHUEZFQLSTAFP-NSHDSACASA-N 1 0 394.465 3.186 20 5 GGBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCSc3ccccc32)cc1 ZINC000272894260 565300579 /nfs/dbraw/zinc/30/05/79/565300579.db2.gz BHQCPBQUOVRTNJ-INIZCTEOSA-N 1 0 378.475 3.195 20 5 GGBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000162164691 565307269 /nfs/dbraw/zinc/30/72/69/565307269.db2.gz QNDLYSAQTHDTRZ-AWEZNQCLSA-N 1 0 382.258 3.058 20 5 GGBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000273164907 565310638 /nfs/dbraw/zinc/31/06/38/565310638.db2.gz GLYQLUVQCYGJLA-ZDUSSCGKSA-N 1 0 383.901 3.285 20 5 GGBDRO C[NH+](C)CCC1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000162373816 565315240 /nfs/dbraw/zinc/31/52/40/565315240.db2.gz JRAYXQPRUWXLII-UHFFFAOYSA-N 1 0 384.274 3.161 20 5 GGBDRO O=[N+]([O-])c1cccc(CN2CCC(O)(c3scnc3Br)CC2)c1 ZINC000374040393 565317901 /nfs/dbraw/zinc/31/79/01/565317901.db2.gz RIINJYSQFFIHKH-UHFFFAOYSA-N 1 0 398.282 3.297 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000375042806 565365591 /nfs/dbraw/zinc/36/55/91/565365591.db2.gz NBPOOJCTDOFKCY-VXGBXAGGSA-N 1 0 382.258 3.022 20 5 GGBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC1CC[NH+](C2CCC2)CC1 ZINC000297313377 565368063 /nfs/dbraw/zinc/36/80/63/565368063.db2.gz YSMOJDVMQPFUAV-UHFFFAOYSA-N 1 0 383.901 3.473 20 5 GGBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C2)C1 ZINC000297684761 565382467 /nfs/dbraw/zinc/38/24/67/565382467.db2.gz HBANMBSIHRHAQX-MRXNPFEDSA-N 1 0 397.273 3.307 20 5 GGBDRO C[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000375380515 565384146 /nfs/dbraw/zinc/38/41/46/565384146.db2.gz PTLPBIGLHSMIEA-MLGOLLRUSA-N 1 0 387.311 3.364 20 5 GGBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000275553870 565418420 /nfs/dbraw/zinc/41/84/20/565418420.db2.gz CSWKUWOBLBYIBN-NEPJUHHUSA-N 1 0 380.388 3.079 20 5 GGBDRO CC(C)[C@@H](CNc1ccc(Br)cc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000301072465 565462376 /nfs/dbraw/zinc/46/23/76/565462376.db2.gz HAOPVTZQIBHFSC-MRXNPFEDSA-N 1 0 385.306 3.041 20 5 GGBDRO O=[N+]([O-])c1cc(I)ccc1NC1CC[NH+](C2CC2)CC1 ZINC000301081219 565462459 /nfs/dbraw/zinc/46/24/59/565462459.db2.gz GLTQQNXSUOKCJD-UHFFFAOYSA-N 1 0 387.221 3.238 20 5 GGBDRO CC(C)[NH+]1CCC(Nc2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000301108299 565465075 /nfs/dbraw/zinc/46/50/75/565465075.db2.gz SJEOJEAFXLEKMF-UHFFFAOYSA-N 1 0 389.237 3.484 20 5 GGBDRO O=[N+]([O-])c1ccc(N2CCC(OCC[NH+]3CCCC3)CC2)c(Br)c1 ZINC000301443446 565486034 /nfs/dbraw/zinc/48/60/34/565486034.db2.gz WYVVVZKBYOSALO-UHFFFAOYSA-N 1 0 398.301 3.439 20 5 GGBDRO COc1cccc([C@H](CNc2ncc([N+](=O)[O-])cc2Br)[NH+](C)C)c1 ZINC000301500660 565490901 /nfs/dbraw/zinc/49/09/01/565490901.db2.gz WWELBHWXPMPZMN-HNNXBMFYSA-N 1 0 395.257 3.476 20 5 GGBDRO O=[N+]([O-])c1cnc(NCC2([NH+]3CCCCC3)CCOCC2)c(Br)c1 ZINC000301535952 565493252 /nfs/dbraw/zinc/49/32/52/565493252.db2.gz MPQSYLLKXAJUGY-UHFFFAOYSA-N 1 0 399.289 3.199 20 5 GGBDRO COc1ccccc1[C@H](CNc1ncc(Br)cc1[N+](=O)[O-])[NH+](C)C ZINC000301671979 565503308 /nfs/dbraw/zinc/50/33/08/565503308.db2.gz FTYMGYNFLMKQEN-AWEZNQCLSA-N 1 0 395.257 3.476 20 5 GGBDRO COc1ccccc1[C@@H](CNc1c(Br)cncc1[N+](=O)[O-])[NH+](C)C ZINC000301844260 565513507 /nfs/dbraw/zinc/51/35/07/565513507.db2.gz SAYGGYQGNGRJAI-CYBMUJFWSA-N 1 0 395.257 3.476 20 5 GGBDRO C[C@@H]1C[N@@H+](CCCCNc2c(Br)cncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301901624 565517846 /nfs/dbraw/zinc/51/78/46/565517846.db2.gz VSHRTDQRYNOHBG-TXEJJXNPSA-N 1 0 387.278 3.054 20 5 GGBDRO C[N@H+](CCNc1c(Br)cncc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000301905045 565518080 /nfs/dbraw/zinc/51/80/80/565518080.db2.gz YLNSIKJCEMQFEW-UHFFFAOYSA-N 1 0 383.221 3.435 20 5 GGBDRO C[NH+]1CCC2(CCCN2C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000378333021 565522493 /nfs/dbraw/zinc/52/24/93/565522493.db2.gz HOEDYCLTDFQZSU-UHFFFAOYSA-N 1 0 382.258 3.058 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2CCCC23CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000378333131 565522867 /nfs/dbraw/zinc/52/28/67/565522867.db2.gz ILVMTVRGKZZAKY-UHFFFAOYSA-N 1 0 396.285 3.366 20 5 GGBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2sc(Br)cc2[N+](=O)[O-])C1 ZINC000278129523 565542127 /nfs/dbraw/zinc/54/21/27/565542127.db2.gz MPOALYXJAHKUAH-RKDXNWHRSA-N 1 0 376.276 3.021 20 5 GGBDRO Cc1cc(N[C@@H](C)CC[NH+]2CCN(C)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302666167 565548366 /nfs/dbraw/zinc/54/83/66/565548366.db2.gz JISLFCOSOOMFSK-ZDUSSCGKSA-N 1 0 385.306 3.104 20 5 GGBDRO Cc1cc(NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302660881 565548656 /nfs/dbraw/zinc/54/86/56/565548656.db2.gz IGYGZBOZGPGFKW-KRWDZBQOSA-N 1 0 399.333 3.350 20 5 GGBDRO Cc1c(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000392519328 565565813 /nfs/dbraw/zinc/56/58/13/565565813.db2.gz IEBMIFRYUXWBOE-OAHLLOKOSA-N 1 0 395.253 3.195 20 5 GGBDRO O=[N+]([O-])c1cc(Br)cnc1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309829614 565578372 /nfs/dbraw/zinc/57/83/72/565578372.db2.gz RQLHRLWVEDFPQN-CQSZACIVSA-N 1 0 377.242 3.439 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000408004891 565591194 /nfs/dbraw/zinc/59/11/94/565591194.db2.gz ZWKTVSCGKSZQGI-BLLLJJGKSA-N 1 0 396.285 3.222 20 5 GGBDRO C[N@@H+]1CCCC12CCN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])CC2 ZINC000408223605 565600368 /nfs/dbraw/zinc/60/03/68/565600368.db2.gz URIQJVOCTHZIIY-UHFFFAOYSA-N 1 0 382.258 3.058 20 5 GGBDRO [NH3+]CCC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000327875253 565633259 /nfs/dbraw/zinc/63/32/59/565633259.db2.gz XYKFBEWBCBVXEY-CQSZACIVSA-N 1 0 383.857 3.007 20 5 GGBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000192358801 565682515 /nfs/dbraw/zinc/68/25/15/565682515.db2.gz MDWCZNMCFNFZRD-GFCCVEGCSA-N 1 0 384.274 3.161 20 5 GGBDRO Cc1c(NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc(Br)cc1[N+](=O)[O-] ZINC000280740090 565692868 /nfs/dbraw/zinc/69/28/68/565692868.db2.gz LKPGMXVWVJFXMO-XHDPSFHLSA-N 1 0 397.273 3.224 20 5 GGBDRO O=C(CCN1CCSC[C@H]1c1nccs1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411550020 565736027 /nfs/dbraw/zinc/73/60/27/565736027.db2.gz IUWRRFKTOLDBPB-AWEZNQCLSA-N 1 0 378.479 3.170 20 5 GGBDRO CN(CCC[NH+]1CCCC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000281583412 565737902 /nfs/dbraw/zinc/73/79/02/565737902.db2.gz BRIMOJNOURIFSO-UHFFFAOYSA-N 1 0 388.237 3.054 20 5 GGBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000331517949 565764331 /nfs/dbraw/zinc/76/43/31/565764331.db2.gz DQHJRWCNHFODCI-TZMCWYRMSA-N 1 0 383.901 3.426 20 5 GGBDRO COC1([C@H](C)[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCC1 ZINC000412017956 565766089 /nfs/dbraw/zinc/76/60/89/565766089.db2.gz AQZQMQVKXQYZBE-JTQLQIEISA-N 1 0 390.221 3.247 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000332209766 565815720 /nfs/dbraw/zinc/81/57/20/565815720.db2.gz RYAWIEFBFOOUOP-FZMZJTMJSA-N 1 0 396.285 3.365 20 5 GGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000176989824 565820889 /nfs/dbraw/zinc/82/08/89/565820889.db2.gz WYPDVUJBSDKBSW-BETUJISGSA-N 1 0 398.301 3.455 20 5 GGBDRO C[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000177007443 565821857 /nfs/dbraw/zinc/82/18/57/565821857.db2.gz IVYFMZDXCONXPB-GFCCVEGCSA-N 1 0 384.274 3.209 20 5 GGBDRO C[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000177007428 565822002 /nfs/dbraw/zinc/82/20/02/565822002.db2.gz IVYFMZDXCONXPB-LBPRGKRZSA-N 1 0 384.274 3.209 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000332308303 565827672 /nfs/dbraw/zinc/82/76/72/565827672.db2.gz MATLBPRZWLVUOF-GJZGRUSLSA-N 1 0 382.258 3.022 20 5 GGBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000332332778 565829826 /nfs/dbraw/zinc/82/98/26/565829826.db2.gz PNOCYIVOOZLZKR-ZDUSSCGKSA-N 1 0 382.258 3.058 20 5 GGBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[N@@H+](C2CCCC2)CC1 ZINC000177307283 565843323 /nfs/dbraw/zinc/84/33/23/565843323.db2.gz VZJWFTOJIJBXSO-UHFFFAOYSA-N 1 0 396.285 3.448 20 5 GGBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000177347004 565844449 /nfs/dbraw/zinc/84/44/49/565844449.db2.gz XAMIRKVIJMYYSC-CYBMUJFWSA-N 1 0 396.285 3.305 20 5 GGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000177349932 565844456 /nfs/dbraw/zinc/84/44/56/565844456.db2.gz MCJODOHGBNJKNX-LBPRGKRZSA-N 1 0 384.274 3.161 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000284226904 565846715 /nfs/dbraw/zinc/84/67/15/565846715.db2.gz DQWIDEFKGLEWFB-BMIGLBTASA-N 1 0 384.274 3.078 20 5 GGBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C1 ZINC000284456225 565853394 /nfs/dbraw/zinc/85/33/94/565853394.db2.gz WDRZQNCDJZCXGD-LBPRGKRZSA-N 1 0 384.274 3.080 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000284719304 565866891 /nfs/dbraw/zinc/86/68/91/565866891.db2.gz OZTRLMDCNVGHMV-LBPRGKRZSA-N 1 0 384.274 3.222 20 5 GGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000177769764 565872969 /nfs/dbraw/zinc/87/29/69/565872969.db2.gz ZEGPHWGXNCHABI-YPMHNXCESA-N 1 0 382.258 3.056 20 5 GGBDRO O=[N+]([O-])c1cc(Br)cnc1NC1CC[NH+](Cc2ccncc2)CC1 ZINC000177813960 565874848 /nfs/dbraw/zinc/87/48/48/565874848.db2.gz KFYIQSPSLVYWLT-UHFFFAOYSA-N 1 0 392.257 3.224 20 5 GGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000177818451 565875476 /nfs/dbraw/zinc/87/54/76/565875476.db2.gz DTROKTAYHXWPSN-OLZOCXBDSA-N 1 0 382.258 3.056 20 5 GGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc(Br)c3c(c2)OCCO3)cc1 ZINC000195582097 565890664 /nfs/dbraw/zinc/89/06/64/565890664.db2.gz YOATVPCWHXBOJC-UHFFFAOYSA-N 1 0 393.237 3.461 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)cc1[N+](=O)[O-] ZINC000414368873 565916354 /nfs/dbraw/zinc/91/63/54/565916354.db2.gz SYOLCYVVWDJZDX-NSHDSACASA-N 1 0 383.857 3.055 20 5 GGBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Br)cc1F ZINC000285668172 565921157 /nfs/dbraw/zinc/92/11/57/565921157.db2.gz NFVVJNMAMIQYCM-SNVBAGLBSA-N 1 0 384.205 3.009 20 5 GGBDRO C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178648650 565931577 /nfs/dbraw/zinc/93/15/77/565931577.db2.gz BXURMKHPRPCROO-GFCCVEGCSA-N 1 0 392.253 3.438 20 5 GGBDRO C[C@H]([NH2+]CCNC(=O)c1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178652328 565931630 /nfs/dbraw/zinc/93/16/30/565931630.db2.gz MGLQMKQSXURLER-LBPRGKRZSA-N 1 0 392.253 3.438 20 5 GGBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000285979200 565935995 /nfs/dbraw/zinc/93/59/95/565935995.db2.gz XAPPNSPCRLLCTE-AAEUAGOBSA-N 1 0 382.258 3.056 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000178756992 565936178 /nfs/dbraw/zinc/93/61/78/565936178.db2.gz ZGLRZYPMJHUZSO-AWEZNQCLSA-N 1 0 396.285 3.366 20 5 GGBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000236607276 565940230 /nfs/dbraw/zinc/94/02/30/565940230.db2.gz KNTUKLDZVIXYHV-UHFFFAOYSA-N 1 0 392.253 3.267 20 5 GGBDRO CC(=O)NCCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000236649073 565940876 /nfs/dbraw/zinc/94/08/76/565940876.db2.gz GFDASHZGEOVPMA-UHFFFAOYSA-N 1 0 396.241 3.233 20 5 GGBDRO CC(C)(CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)S(C)(=O)=O ZINC000414515138 565945350 /nfs/dbraw/zinc/94/53/50/565945350.db2.gz KTNXCKRMOWKXHE-UHFFFAOYSA-N 1 0 383.495 3.021 20 5 GGBDRO C[C@@H]1C[C@H](C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)[C@H](C)O1 ZINC000414523607 565945557 /nfs/dbraw/zinc/94/55/57/565945557.db2.gz YNRKDLXKECVBQE-JFGNBEQYSA-N 1 0 390.221 3.103 20 5 GGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000179569780 565989676 /nfs/dbraw/zinc/98/96/76/565989676.db2.gz IFUKNSSRNZVCHD-BETUJISGSA-N 1 0 389.543 3.230 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000179569531 565990256 /nfs/dbraw/zinc/99/02/56/565990256.db2.gz DAHJRBIOVGYXNE-LBPRGKRZSA-N 1 0 375.516 3.126 20 5 GGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000179569809 565990371 /nfs/dbraw/zinc/99/03/71/565990371.db2.gz IFUKNSSRNZVCHD-CHWSQXEVSA-N 1 0 389.543 3.230 20 5 GGBDRO Cc1c(NC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415662879 566012330 /nfs/dbraw/zinc/01/23/30/566012330.db2.gz RSMQRUNOQVKAQV-CMPLNLGQSA-N 1 0 385.262 3.305 20 5 GGBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000287415925 566016733 /nfs/dbraw/zinc/01/67/33/566016733.db2.gz ZTFOCUQBAUOWRK-ABAIWWIYSA-N 1 0 382.258 3.056 20 5 GGBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)[N@@H+]1CCC[C@@H](C)C1 ZINC000246176207 566020072 /nfs/dbraw/zinc/02/00/72/566020072.db2.gz JPMGXJBQGHBSJU-VXGBXAGGSA-N 1 0 384.274 3.208 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000364021246 566030811 /nfs/dbraw/zinc/03/08/11/566030811.db2.gz IJRGTOOQICRGEM-LBPRGKRZSA-N 1 0 393.241 3.029 20 5 GGBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000180408990 566061929 /nfs/dbraw/zinc/06/19/29/566061929.db2.gz NFXATKVHDLOKGQ-JTQLQIEISA-N 1 0 379.214 3.042 20 5 GGBDRO CC[C@@H](CSC)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000180686091 566081743 /nfs/dbraw/zinc/08/17/43/566081743.db2.gz ZNYQLOFTDXDMDE-JTQLQIEISA-N 1 0 390.303 3.369 20 5 GGBDRO O=[N+]([O-])c1cc(I)ccc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252674215 566115664 /nfs/dbraw/zinc/11/56/64/566115664.db2.gz PRJNMKOQANOXOC-RYUDHWBXSA-N 1 0 387.221 3.238 20 5 GGBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000181363069 566135980 /nfs/dbraw/zinc/13/59/80/566135980.db2.gz WGZORZXTTQWLQL-WFASDCNBSA-N 1 0 395.253 3.448 20 5 GGBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000181363125 566136106 /nfs/dbraw/zinc/13/61/06/566136106.db2.gz WGZORZXTTQWLQL-IUODEOHRSA-N 1 0 395.253 3.448 20 5 GGBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1cccc(O)c1 ZINC000181505061 566145864 /nfs/dbraw/zinc/14/58/64/566145864.db2.gz AQACAYXAOBINNY-SNVBAGLBSA-N 1 0 394.225 3.352 20 5 GGBDRO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1cccc(O)c1 ZINC000181505041 566146000 /nfs/dbraw/zinc/14/60/00/566146000.db2.gz AQACAYXAOBINNY-JTQLQIEISA-N 1 0 394.225 3.352 20 5 GGBDRO CC[C@@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000181504457 566146031 /nfs/dbraw/zinc/14/60/31/566146031.db2.gz BOQASKGNIREMHK-OAHLLOKOSA-N 1 0 383.495 3.018 20 5 GGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)s1 ZINC000289966903 566150712 /nfs/dbraw/zinc/15/07/12/566150712.db2.gz CVRVKNLPOKGCGR-ZDUSSCGKSA-N 1 0 380.491 3.238 20 5 GGBDRO COc1cc(C[NH2+]C[C@H]2CCCSC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000290093283 566157411 /nfs/dbraw/zinc/15/74/11/566157411.db2.gz HELWTJRUZJJWSU-LLVKDONJSA-N 1 0 376.425 3.480 20 5 GGBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000290540174 566178408 /nfs/dbraw/zinc/17/84/08/566178408.db2.gz OMVBSCYYFKZVJR-NWDGAFQWSA-N 1 0 382.258 3.056 20 5 GGBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000182175881 566188043 /nfs/dbraw/zinc/18/80/43/566188043.db2.gz ILONNGMKUFBYSX-WFASDCNBSA-N 1 0 395.253 3.448 20 5 GGBDRO C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1Br)[NH+]1CCCCC1 ZINC000182249793 566193211 /nfs/dbraw/zinc/19/32/11/566193211.db2.gz DHVMCWHVADKIOG-GFCCVEGCSA-N 1 0 384.274 3.352 20 5 GGBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCCCNc1ccccn1 ZINC000183075551 566237354 /nfs/dbraw/zinc/23/73/54/566237354.db2.gz USXBYUHIKNUKLW-UHFFFAOYSA-N 1 0 380.857 3.354 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000368496785 566240557 /nfs/dbraw/zinc/24/05/57/566240557.db2.gz RYLVBJUWMGVRKZ-UHFFFAOYSA-N 1 0 396.285 3.366 20 5 GGBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000265727655 566241372 /nfs/dbraw/zinc/24/13/72/566241372.db2.gz WFIWWWDAHJUCSN-UHFFFAOYSA-N 1 0 384.274 3.302 20 5 GGBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000599379477 566259570 /nfs/dbraw/zinc/25/95/70/566259570.db2.gz HMIKQQWJCYOIJI-LBPRGKRZSA-N 1 0 382.258 3.058 20 5 GGBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000599379475 566260114 /nfs/dbraw/zinc/26/01/14/566260114.db2.gz HMIKQQWJCYOIJI-GFCCVEGCSA-N 1 0 382.258 3.058 20 5 GGBDRO C[NH+](C)CCC1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599477337 566267765 /nfs/dbraw/zinc/26/77/65/566267765.db2.gz GKBRJUSHMMLCEA-UHFFFAOYSA-N 1 0 384.274 3.161 20 5 GGBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000599540491 566273344 /nfs/dbraw/zinc/27/33/44/566273344.db2.gz DQUGPCNEDSFIHB-CYBMUJFWSA-N 1 0 396.285 3.448 20 5 GGBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[NH+](C2CCCCC2)CC1 ZINC000599692749 566288270 /nfs/dbraw/zinc/28/82/70/566288270.db2.gz WZDABBBVAKJGOZ-UHFFFAOYSA-N 1 0 396.285 3.448 20 5 GGBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599827450 566299339 /nfs/dbraw/zinc/29/93/39/566299339.db2.gz BNRCEASRQGDYDU-LBPRGKRZSA-N 1 0 382.258 3.104 20 5 GGBDRO C[C@@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000599966120 566306215 /nfs/dbraw/zinc/30/62/15/566306215.db2.gz NSOCFCJFEJSCRH-LBPRGKRZSA-N 1 0 396.285 3.304 20 5 GGBDRO CC[C@@H](CSC)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000576032402 566309237 /nfs/dbraw/zinc/30/92/37/566309237.db2.gz KEOUIPSFARWMFN-NSHDSACASA-N 1 0 380.251 3.431 20 5 GGBDRO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[N@@H+]1CCCC[C@@H]1C ZINC000445823055 566313036 /nfs/dbraw/zinc/31/30/36/566313036.db2.gz ZYOJQNAQCNBYKK-QWHCGFSZSA-N 1 0 398.301 3.279 20 5 GGBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000600085773 566314922 /nfs/dbraw/zinc/31/49/22/566314922.db2.gz IZVGVEJJZZKBTC-UHFFFAOYSA-N 1 0 384.274 3.304 20 5 GGBDRO CCC[NH+]1CCC(N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000445994350 566323014 /nfs/dbraw/zinc/32/30/14/566323014.db2.gz PESMKBUPFXYQPJ-UHFFFAOYSA-N 1 0 398.301 3.233 20 5 GGBDRO Cc1c(Br)cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000509632385 566322911 /nfs/dbraw/zinc/32/29/11/566322911.db2.gz GUDQKLXWKPFPNF-KBPBESRZSA-N 1 0 382.258 3.022 20 5 GGBDRO Cc1c(Br)cc(C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000509666534 566326721 /nfs/dbraw/zinc/32/67/21/566326721.db2.gz KRQDVPRXPYITBL-LLVKDONJSA-N 1 0 384.274 3.270 20 5 GGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2Cc2ccccc2Br)n1 ZINC000420980637 566332662 /nfs/dbraw/zinc/33/26/62/566332662.db2.gz XCICFLJQXMWSMS-CQSZACIVSA-N 1 0 379.258 3.261 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000600315313 566332930 /nfs/dbraw/zinc/33/29/30/566332930.db2.gz RSKJUFXTXKIDME-GFCCVEGCSA-N 1 0 384.274 3.127 20 5 GGBDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462667664 566338844 /nfs/dbraw/zinc/33/88/44/566338844.db2.gz HVLNVOROVZESJA-NSHDSACASA-N 1 0 396.296 3.006 20 5 GGBDRO COc1c(Br)cccc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000576506852 566351536 /nfs/dbraw/zinc/35/15/36/566351536.db2.gz XWUCEYQZQREAMP-UHFFFAOYSA-N 1 0 380.242 3.331 20 5 GGBDRO C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Sc1ccccc1 ZINC000576576474 566359096 /nfs/dbraw/zinc/35/90/96/566359096.db2.gz DBFNQYQQCIMVQW-AWEZNQCLSA-N 1 0 380.491 3.139 20 5 GGBDRO C[C@H]1C[C@H](Nc2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC[N@@H+]1C ZINC000462875451 566362905 /nfs/dbraw/zinc/36/29/05/566362905.db2.gz MFUMJLXTTWRLLY-CMPLNLGQSA-N 1 0 379.258 3.222 20 5 GGBDRO Cc1c(Br)cc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000510473396 566386365 /nfs/dbraw/zinc/38/63/65/566386365.db2.gz IVPCLRIAKJCDBC-NSHDSACASA-N 1 0 386.290 3.372 20 5 GGBDRO Cc1c(Br)cc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000510473388 566386485 /nfs/dbraw/zinc/38/64/85/566386485.db2.gz IVPCLRIAKJCDBC-LLVKDONJSA-N 1 0 386.290 3.372 20 5 GGBDRO Cc1ncc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)s1 ZINC000576910386 566390056 /nfs/dbraw/zinc/39/00/56/566390056.db2.gz NXCCOXFWKPEOBG-UHFFFAOYSA-N 1 0 389.218 3.254 20 5 GGBDRO C[C@@H](O)C[NH+]1CCC(CN(C)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000557574347 566397576 /nfs/dbraw/zinc/39/75/76/566397576.db2.gz AWQSMQPAVCFSBX-LLVKDONJSA-N 1 0 376.284 3.431 20 5 GGBDRO Cc1c(Br)cc(C(=O)NC2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000421679223 566397831 /nfs/dbraw/zinc/39/78/31/566397831.db2.gz IOJLFYMZYQUHJY-UHFFFAOYSA-N 1 0 384.274 3.268 20 5 GGBDRO CN(CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc(Br)cc1 ZINC000511109365 566438017 /nfs/dbraw/zinc/43/80/17/566438017.db2.gz UDAWETPQROZHFK-UHFFFAOYSA-N 1 0 392.253 3.470 20 5 GGBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H](C)C1 ZINC000558027660 566443048 /nfs/dbraw/zinc/44/30/48/566443048.db2.gz RPZBPBMUCDZYDT-MQIPJXDCSA-N 1 0 396.285 3.160 20 5 GGBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000558028021 566443132 /nfs/dbraw/zinc/44/31/32/566443132.db2.gz ZQRQVKRHHWVODI-MKBNYLNASA-N 1 0 396.285 3.160 20 5 GGBDRO CN1CCC([NH+]2CCC(Nc3ccc([N+](=O)[O-])cc3Br)CC2)CC1 ZINC000484839724 566459919 /nfs/dbraw/zinc/45/99/19/566459919.db2.gz ZJABITRRDYDLQA-UHFFFAOYSA-N 1 0 397.317 3.328 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000577753986 566463239 /nfs/dbraw/zinc/46/32/39/566463239.db2.gz NOJNYZUNXSPRSY-UHFFFAOYSA-N 1 0 384.274 3.222 20 5 GGBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000448283749 566467203 /nfs/dbraw/zinc/46/72/03/566467203.db2.gz NHDYJFJSHPZKDV-CYBMUJFWSA-N 1 0 398.301 3.455 20 5 GGBDRO O=[N+]([O-])c1cc(Br)ccc1N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000577865610 566470730 /nfs/dbraw/zinc/47/07/30/566470730.db2.gz HVZZZOSABJUTSV-AWEZNQCLSA-N 1 0 384.274 3.048 20 5 GGBDRO O=[N+]([O-])c1sc(C[NH2+]CCCOCC(F)(F)F)cc1Br ZINC000602507874 566475434 /nfs/dbraw/zinc/47/54/34/566475434.db2.gz INIIKGXFVWMDTF-UHFFFAOYSA-N 1 0 377.182 3.477 20 5 GGBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000602517981 566475781 /nfs/dbraw/zinc/47/57/81/566475781.db2.gz ITLUJZUYGBTCPU-ZDUSSCGKSA-N 1 0 396.285 3.209 20 5 GGBDRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602557267 566477542 /nfs/dbraw/zinc/47/75/42/566477542.db2.gz OEPNOFWSFAUXOA-CHWSQXEVSA-N 1 0 380.388 3.059 20 5 GGBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cc2Br)Cc2ccccc2C1 ZINC000485148135 566480017 /nfs/dbraw/zinc/48/00/17/566480017.db2.gz NBXZDVIUCQSKLI-UHFFFAOYSA-N 1 0 391.269 3.263 20 5 GGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)[C@@]12CCCO2 ZINC000602612204 566481847 /nfs/dbraw/zinc/48/18/47/566481847.db2.gz HPWWBFOOMFOABT-BZPMIXESSA-N 1 0 391.287 3.235 20 5 GGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)[C@]12CCCO2 ZINC000602612205 566482412 /nfs/dbraw/zinc/48/24/12/566482412.db2.gz HPWWBFOOMFOABT-OUCADQQQSA-N 1 0 391.287 3.235 20 5 GGBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H]2CC[C@@](O)(C(F)(F)F)C2)cc1Br ZINC000602670183 566485411 /nfs/dbraw/zinc/48/54/11/566485411.db2.gz BRWNNMHXQXBJQI-LDWIPMOCSA-N 1 0 389.193 3.354 20 5 GGBDRO O=[N+]([O-])c1sc(C[NH2+][C@H]2CC[C@](O)(C(F)(F)F)C2)cc1Br ZINC000602670185 566485510 /nfs/dbraw/zinc/48/55/10/566485510.db2.gz BRWNNMHXQXBJQI-QUBYGPBYSA-N 1 0 389.193 3.354 20 5 GGBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H]2CC[C@](O)(C(F)(F)F)C2)cc1Br ZINC000602670184 566485713 /nfs/dbraw/zinc/48/57/13/566485713.db2.gz BRWNNMHXQXBJQI-LHLIQPBNSA-N 1 0 389.193 3.354 20 5 GGBDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602668843 566485978 /nfs/dbraw/zinc/48/59/78/566485978.db2.gz GIILXBBJJVMXPX-SECBINFHSA-N 1 0 378.292 3.061 20 5 GGBDRO COC1([C@H](C)[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCOCC1 ZINC000602693221 566486701 /nfs/dbraw/zinc/48/67/01/566486701.db2.gz DEKHMODOVCHSJK-VIFPVBQESA-N 1 0 379.276 3.093 20 5 GGBDRO C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602705290 566486890 /nfs/dbraw/zinc/48/68/90/566486890.db2.gz FQXTUDKCOZDWKB-CBUNIWKESA-N 1 0 381.317 3.198 20 5 GGBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000578131188 566494878 /nfs/dbraw/zinc/49/48/78/566494878.db2.gz JEYZAGBAJCCCML-HNNXBMFYSA-N 1 0 396.285 3.208 20 5 GGBDRO CSc1ccc(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)cc1[N+](=O)[O-] ZINC000423981929 566500839 /nfs/dbraw/zinc/50/08/39/566500839.db2.gz ZCVVHRPWGGZASU-UHFFFAOYSA-N 1 0 378.479 3.493 20 5 GGBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)c1 ZINC000578316023 566511263 /nfs/dbraw/zinc/51/12/63/566511263.db2.gz JZNJNHSDVHBKTR-HNNXBMFYSA-N 1 0 385.247 3.474 20 5 GGBDRO C[C@@H]1CC2(CN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000424241222 566523418 /nfs/dbraw/zinc/52/34/18/566523418.db2.gz PVOIOMSVSRWSBK-GFCCVEGCSA-N 1 0 383.901 3.331 20 5 GGBDRO O=[N+]([O-])c1cccc(Br)c1NC1CC[NH+](C2CCOCC2)CC1 ZINC000603409109 566525114 /nfs/dbraw/zinc/52/51/14/566525114.db2.gz RSJSVOMUKLZLPB-UHFFFAOYSA-N 1 0 384.274 3.413 20 5 GGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000449283180 566544081 /nfs/dbraw/zinc/54/40/81/566544081.db2.gz KKYVVAGSUNQGPM-GFCCVEGCSA-N 1 0 382.869 3.373 20 5 GGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000449283340 566544750 /nfs/dbraw/zinc/54/47/50/566544750.db2.gz KKYVVAGSUNQGPM-LBPRGKRZSA-N 1 0 382.869 3.373 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000559516509 566554516 /nfs/dbraw/zinc/55/45/16/566554516.db2.gz BDYDJZBYAPCBFJ-UHFFFAOYSA-N 1 0 384.274 3.270 20 5 GGBDRO CCC[C@@H](C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)OC ZINC000449374933 566554694 /nfs/dbraw/zinc/55/46/94/566554694.db2.gz GRQLYORPOZWZEU-ZDUSSCGKSA-N 1 0 378.210 3.104 20 5 GGBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C[C@H]1[NH+](C)C ZINC000539357278 566577456 /nfs/dbraw/zinc/57/74/56/566577456.db2.gz WPIOUHTWLBPZAP-ZBFHGGJFSA-N 1 0 383.539 3.213 20 5 GGBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C[C@@H]1[NH+](C)C ZINC000539357274 566577602 /nfs/dbraw/zinc/57/76/02/566577602.db2.gz WPIOUHTWLBPZAP-GOEBONIOSA-N 1 0 383.539 3.213 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000449599931 566580807 /nfs/dbraw/zinc/58/08/07/566580807.db2.gz MJPFJEUVSLFPKZ-GFCCVEGCSA-N 1 0 397.244 3.437 20 5 GGBDRO CO[C@@H]([C@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000449628376 566584884 /nfs/dbraw/zinc/58/48/84/566584884.db2.gz IKMWLCDIXACJHZ-XPTSAGLGSA-N 1 0 390.221 3.103 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccsc1 ZINC000466564092 566586349 /nfs/dbraw/zinc/58/63/49/566586349.db2.gz QLCAJGVUKBTFMC-HNNXBMFYSA-N 1 0 382.873 3.412 20 5 GGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)cc1 ZINC000449677823 566589240 /nfs/dbraw/zinc/58/92/40/566589240.db2.gz CTQGRPGTMJOKEL-CQSZACIVSA-N 1 0 397.244 3.437 20 5 GGBDRO Cc1cc(CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000579229241 566591089 /nfs/dbraw/zinc/59/10/89/566591089.db2.gz KXRHIFRYDYVRTQ-UHFFFAOYSA-N 1 0 382.869 3.163 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000449685707 566592743 /nfs/dbraw/zinc/59/27/43/566592743.db2.gz VLGOVUPKVWDNOB-ZDUSSCGKSA-N 1 0 397.244 3.437 20 5 GGBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCC[C@H]2CCOC2)c1 ZINC000449691576 566594373 /nfs/dbraw/zinc/59/43/73/566594373.db2.gz XCPZZLGHZXSHBN-NSHDSACASA-N 1 0 390.221 3.106 20 5 GGBDRO COc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c(Br)c1O ZINC000579528434 566615966 /nfs/dbraw/zinc/61/59/66/566615966.db2.gz NFCAEACDLXXCDC-UHFFFAOYSA-N 1 0 396.241 3.037 20 5 GGBDRO Cc1sc(S(=O)(=O)NCC2CC[NH+](CCC(C)C)CC2)cc1[N+](=O)[O-] ZINC000467081458 566625260 /nfs/dbraw/zinc/62/52/60/566625260.db2.gz ZTZMWXCUKCIJAP-UHFFFAOYSA-N 1 0 389.543 3.001 20 5 GGBDRO C[C@H]1C[N@@H+](C2CCN(Cc3ccc(Br)cc3[N+](=O)[O-])CC2)CCO1 ZINC000425406272 566639711 /nfs/dbraw/zinc/63/97/11/566639711.db2.gz MKPBXVBDOGFJPA-ZDUSSCGKSA-N 1 0 398.301 3.042 20 5 GGBDRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])C1(C)C ZINC000425451595 566644589 /nfs/dbraw/zinc/64/45/89/566644589.db2.gz VXSPTWMPSRURLK-HOCLYGCPSA-N 1 0 387.274 3.013 20 5 GGBDRO Cc1sc(S(=O)(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000467405628 566644823 /nfs/dbraw/zinc/64/48/23/566644823.db2.gz QRCGAGVPHRCOEV-STQMWFEESA-N 1 0 389.543 3.001 20 5 GGBDRO Cc1sc(S(=O)(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000467405623 566645241 /nfs/dbraw/zinc/64/52/41/566645241.db2.gz QRCGAGVPHRCOEV-BETUJISGSA-N 1 0 389.543 3.001 20 5 GGBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000425455752 566645866 /nfs/dbraw/zinc/64/58/66/566645866.db2.gz GYDUNYCWTNHGEL-NUEKZKHPSA-N 1 0 396.285 3.094 20 5 GGBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425469768 566646852 /nfs/dbraw/zinc/64/68/52/566646852.db2.gz FDJCRQSMPYUBBJ-CYBMUJFWSA-N 1 0 398.301 3.042 20 5 GGBDRO C[N@H+](CCCNC(=O)C1CCC1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425489803 566649328 /nfs/dbraw/zinc/64/93/28/566649328.db2.gz YFSQCTDJTDNFKP-UHFFFAOYSA-N 1 0 384.274 3.096 20 5 GGBDRO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@H](O)Cc1ccccc1 ZINC000425480611 566649504 /nfs/dbraw/zinc/64/95/04/566649504.db2.gz PFSPEXRLKZYFKF-MRXNPFEDSA-N 1 0 379.254 3.393 20 5 GGBDRO CCSCCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000580015793 566658573 /nfs/dbraw/zinc/65/85/73/566658573.db2.gz BGAVFROEUBDVEO-UHFFFAOYSA-N 1 0 380.251 3.432 20 5 GGBDRO Cc1nc(N(CC[NH+](C)C)Cc2ccc(Br)cc2)ncc1[N+](=O)[O-] ZINC000450376968 566664283 /nfs/dbraw/zinc/66/42/83/566664283.db2.gz IAPXRORKCTZHGH-UHFFFAOYSA-N 1 0 394.273 3.024 20 5 GGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+](CCO)Cc2cccc(Br)c2)cc1 ZINC000488157937 566710765 /nfs/dbraw/zinc/71/07/65/566710765.db2.gz FIIHKGNEWVMWIG-UHFFFAOYSA-N 1 0 395.253 3.231 20 5 GGBDRO O=[N+]([O-])c1ccc(CC[N@@H+](CCO)Cc2cccc(Br)c2)cc1 ZINC000488191293 566712864 /nfs/dbraw/zinc/71/28/64/566712864.db2.gz UUVHQNCMPMYISN-UHFFFAOYSA-N 1 0 379.254 3.394 20 5 GGBDRO C[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000561527673 566715316 /nfs/dbraw/zinc/71/53/16/566715316.db2.gz LXTXOWZEMIEBLQ-GFCCVEGCSA-N 1 0 396.285 3.304 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N[C@@H](C)C[NH+](C)C)cc2[N+](=O)[O-])n1 ZINC000561768568 566737176 /nfs/dbraw/zinc/73/71/76/566737176.db2.gz RYTXEQGUKKLVPJ-JTQLQIEISA-N 1 0 380.495 3.191 20 5 GGBDRO COCCC1(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000515923992 566738764 /nfs/dbraw/zinc/73/87/64/566738764.db2.gz BEFXJXKADXVVTF-UHFFFAOYSA-N 1 0 390.221 3.106 20 5 GGBDRO CC1(C)C[C@@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCO1 ZINC000580982702 566738932 /nfs/dbraw/zinc/73/89/32/566738932.db2.gz LZKPTWPOQKKVIM-LBPRGKRZSA-N 1 0 390.221 3.247 20 5 GGBDRO Cc1c(Br)c(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000488718525 566742836 /nfs/dbraw/zinc/74/28/36/566742836.db2.gz UYJUGJYTSOSWQE-NTZNESFSSA-N 1 0 383.290 3.227 20 5 GGBDRO Cc1c(Br)c(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000488764443 566746543 /nfs/dbraw/zinc/74/65/43/566746543.db2.gz LRNUWKQXJQMQHP-NSHDSACASA-N 1 0 383.290 3.371 20 5 GGBDRO NC(=O)[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1Cl ZINC000541764617 566746633 /nfs/dbraw/zinc/74/66/33/566746633.db2.gz IFBPUUDJCJPJAT-CYBMUJFWSA-N 1 0 382.247 3.335 20 5 GGBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000451102874 566758556 /nfs/dbraw/zinc/75/85/56/566758556.db2.gz FMSNNGIZCXZEGS-LRDDRELGSA-N 1 0 395.253 3.448 20 5 GGBDRO CCC(O)(CC)CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000562074519 566762520 /nfs/dbraw/zinc/76/25/20/566762520.db2.gz OQGUNQBPYXVTHH-UHFFFAOYSA-N 1 0 392.237 3.230 20 5 GGBDRO CC(C)[N@@H+]1CC[C@H](CNc2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000609560674 566769744 /nfs/dbraw/zinc/76/97/44/566769744.db2.gz JLBXMPJFHHCYRB-GFCCVEGCSA-N 1 0 393.285 3.470 20 5 GGBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000516606633 566772649 /nfs/dbraw/zinc/77/26/49/566772649.db2.gz OKGHSCHXEJFFBK-DDFAGTSDSA-N 1 0 390.221 3.245 20 5 GGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000562254301 566775379 /nfs/dbraw/zinc/77/53/79/566775379.db2.gz NOPFHGNWEGRTOI-LBPRGKRZSA-N 1 0 386.290 3.136 20 5 GGBDRO CS(=O)(=O)c1ccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000469274701 566777659 /nfs/dbraw/zinc/77/76/59/566777659.db2.gz RJNPTLFVYOWSEP-OAHLLOKOSA-N 1 0 380.491 3.171 20 5 GGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)s1 ZINC000542311783 566793171 /nfs/dbraw/zinc/79/31/71/566793171.db2.gz WHUXOYDGVNDJGI-AWEZNQCLSA-N 1 0 380.491 3.380 20 5 GGBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](C2CCCC2)CC1 ZINC000542340393 566795073 /nfs/dbraw/zinc/79/50/73/566795073.db2.gz JIBHACIPHSODPT-UHFFFAOYSA-N 1 0 383.901 3.427 20 5 GGBDRO Cc1c(Br)c(N2CC[C@H](C[N@H+](C)CC3CC3)C2)ncc1[N+](=O)[O-] ZINC000542507661 566807340 /nfs/dbraw/zinc/80/73/40/566807340.db2.gz SFOISIWBEJBQLO-CYBMUJFWSA-N 1 0 383.290 3.229 20 5 GGBDRO Cc1cc(Cl)cc(C)c1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542691283 566818412 /nfs/dbraw/zinc/81/84/12/566818412.db2.gz HRCVPFYKOYXOGS-UHFFFAOYSA-N 1 0 382.869 3.429 20 5 GGBDRO Cc1c(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)sc2ccc(Cl)cc12 ZINC000582057824 566826689 /nfs/dbraw/zinc/82/66/89/566826689.db2.gz GRXNMZRCQKQINZ-CYBMUJFWSA-N 1 0 380.857 3.119 20 5 GGBDRO O=[N+]([O-])c1cnc(N2CCC(C[NH+]3CCCCC3)CC2)c(Br)c1 ZINC000610512425 566838500 /nfs/dbraw/zinc/83/85/00/566838500.db2.gz GVJMCJQLYOXFOF-UHFFFAOYSA-N 1 0 383.290 3.455 20 5 GGBDRO CC[N@@H+]1CCCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC000610515237 566839991 /nfs/dbraw/zinc/83/99/91/566839991.db2.gz KVYQANZGBOGUFQ-UHFFFAOYSA-N 1 0 379.258 3.438 20 5 GGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000563011892 566844461 /nfs/dbraw/zinc/84/44/61/566844461.db2.gz QSKHOFLSRMHYJU-AWEZNQCLSA-N 1 0 385.247 3.474 20 5 GGBDRO CC1(C)CC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC(C)(C)[NH2+]1 ZINC000610672813 566853104 /nfs/dbraw/zinc/85/31/04/566853104.db2.gz UTJUFNZTRHEOTC-UHFFFAOYSA-N 1 0 398.301 3.325 20 5 GGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)Cc2ccccc2Br)cc1 ZINC000428540402 566854718 /nfs/dbraw/zinc/85/47/18/566854718.db2.gz AMOLLQLOHCGMAC-CQSZACIVSA-N 1 0 379.254 3.298 20 5 GGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)c1 ZINC000428545831 566856320 /nfs/dbraw/zinc/85/63/20/566856320.db2.gz WFMKARLWLUQWRB-HNNXBMFYSA-N 1 0 379.254 3.298 20 5 GGBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000610770007 566861358 /nfs/dbraw/zinc/86/13/58/566861358.db2.gz HQVLJXPNOIWQHE-OAHLLOKOSA-N 1 0 391.269 3.463 20 5 GGBDRO C[C@@H]1COCC[N@@H+]1C1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000582428800 566861415 /nfs/dbraw/zinc/86/14/15/566861415.db2.gz ZXNAVJIKRPDSTA-CYBMUJFWSA-N 1 0 398.301 3.042 20 5 GGBDRO Cc1c(Br)cc(C(=O)NCC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000470341184 566866365 /nfs/dbraw/zinc/86/63/65/566866365.db2.gz XOYOFCPXOGGFHU-UHFFFAOYSA-N 1 0 396.285 3.270 20 5 GGBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](c2c(Cl)cccc2Cl)C2CC2)c1 ZINC000582515187 566869079 /nfs/dbraw/zinc/86/90/79/566869079.db2.gz DCRAKDIDFDQLED-BLLLJJGKSA-N 1 0 385.251 3.200 20 5 GGBDRO C[NH+](C)CCN(Cc1ccccc1F)c1ncc([N+](=O)[O-])cc1Br ZINC000470510114 566879645 /nfs/dbraw/zinc/87/96/45/566879645.db2.gz UDLVARWGBJOPNK-UHFFFAOYSA-N 1 0 397.248 3.460 20 5 GGBDRO Cc1c(Br)cc(C(=O)N[C@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000611072662 566885493 /nfs/dbraw/zinc/88/54/93/566885493.db2.gz GCYAKLDJAVGCJF-LLVKDONJSA-N 1 0 384.274 3.126 20 5 GGBDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000428867983 566886518 /nfs/dbraw/zinc/88/65/18/566886518.db2.gz RPWPRQMLJYCPFB-NSHDSACASA-N 1 0 396.296 3.006 20 5 GGBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000611076241 566887095 /nfs/dbraw/zinc/88/70/95/566887095.db2.gz YAYNFLZBCIXIMA-ZDUSSCGKSA-N 1 0 384.274 3.270 20 5 GGBDRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543635417 566895292 /nfs/dbraw/zinc/89/52/92/566895292.db2.gz ABYBKMCYMSGNGJ-CYBMUJFWSA-N 1 0 382.869 3.243 20 5 GGBDRO CC(C)([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Br)cc1 ZINC000611185418 566898006 /nfs/dbraw/zinc/89/80/06/566898006.db2.gz MJLQAUGZQVYNQW-UHFFFAOYSA-N 1 0 380.242 3.044 20 5 GGBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000611227599 566902303 /nfs/dbraw/zinc/90/23/03/566902303.db2.gz GOFZNMJPXQTUKC-CQSZACIVSA-N 1 0 391.269 3.463 20 5 GGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000429033424 566904294 /nfs/dbraw/zinc/90/42/94/566904294.db2.gz FAOGCBRCSWVZAE-MRXNPFEDSA-N 1 0 399.216 3.198 20 5 GGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000429140600 566910056 /nfs/dbraw/zinc/91/00/56/566910056.db2.gz YVTCTNXLKHVZGJ-MRXNPFEDSA-N 1 0 379.869 3.277 20 5 GGBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H](CCO)c2ccccc2Br)c1 ZINC000543806972 566913042 /nfs/dbraw/zinc/91/30/42/566913042.db2.gz GYZSZBUXHQEYSE-KRWDZBQOSA-N 1 0 395.253 3.449 20 5 GGBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000563916289 566928465 /nfs/dbraw/zinc/92/84/65/566928465.db2.gz LWTHNHKUEQFRQG-CQSZACIVSA-N 1 0 384.274 3.304 20 5 GGBDRO CCC(CC)(C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)OC ZINC000492487631 566933761 /nfs/dbraw/zinc/93/37/61/566933761.db2.gz SFEYJNVYGGDCGM-UHFFFAOYSA-N 1 0 392.237 3.494 20 5 GGBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@H](CO)c2ccc(Br)cc2)cc1 ZINC000611682563 566934124 /nfs/dbraw/zinc/93/41/24/566934124.db2.gz XXETZVNWCDYYPO-QGZVFWFLSA-N 1 0 395.253 3.449 20 5 GGBDRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000452101345 566934592 /nfs/dbraw/zinc/93/45/92/566934592.db2.gz GFICPBKVZNDBGS-NSHDSACASA-N 1 0 396.296 3.005 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000452175099 566948193 /nfs/dbraw/zinc/94/81/93/566948193.db2.gz RTMCBMFXTNNQCW-LLVKDONJSA-N 1 0 396.285 3.222 20 5 GGBDRO Cc1c(Br)c(N2CC[C@H](C[NH+]3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000544396291 566961696 /nfs/dbraw/zinc/96/16/96/566961696.db2.gz YOFINYGLROACOX-CYBMUJFWSA-N 1 0 383.290 3.373 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2cccc(Cl)c2Cl)c1 ZINC000519749295 566964763 /nfs/dbraw/zinc/96/47/63/566964763.db2.gz BJFRFHYKDLOWFA-AWEZNQCLSA-N 1 0 385.247 3.474 20 5 GGBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2CCCSC2)c1 ZINC000583593474 566965268 /nfs/dbraw/zinc/96/52/68/566965268.db2.gz BMFLENLGBWBHKK-LLVKDONJSA-N 1 0 378.235 3.185 20 5 GGBDRO C[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000429954386 566969955 /nfs/dbraw/zinc/96/99/55/566969955.db2.gz VJPQURYZHWQXDP-NEPJUHHUSA-N 1 0 384.274 3.350 20 5 GGBDRO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000583662451 566971073 /nfs/dbraw/zinc/97/10/73/566971073.db2.gz DFHPAHQIMTUQQR-NSHDSACASA-N 1 0 378.235 3.137 20 5 GGBDRO CCOC[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C(C)C ZINC000564398948 566973259 /nfs/dbraw/zinc/97/32/59/566973259.db2.gz ABIVXSAXEJFCPQ-CQSZACIVSA-N 1 0 392.237 3.350 20 5 GGBDRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000564409822 566974807 /nfs/dbraw/zinc/97/48/07/566974807.db2.gz CFDYLMKDMNMBQI-SMDDNHRTSA-N 1 0 390.221 3.104 20 5 GGBDRO CCOCCCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000564414920 566975204 /nfs/dbraw/zinc/97/52/04/566975204.db2.gz IZBLBZNQSOFOLJ-UHFFFAOYSA-N 1 0 378.210 3.106 20 5 GGBDRO C[C@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000452569820 566992337 /nfs/dbraw/zinc/99/23/37/566992337.db2.gz FFJZAJWPSGRUOA-GFCCVEGCSA-N 1 0 383.901 3.283 20 5 GGBDRO CO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000564655885 566996234 /nfs/dbraw/zinc/99/62/34/566996234.db2.gz NXOCCTUHEOUDRV-GDBMZVCRSA-N 1 0 397.225 3.121 20 5 GGBDRO CCOCC(C)(C)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000564690626 566999644 /nfs/dbraw/zinc/99/96/44/566999644.db2.gz YHESJGPFEXWLEP-UHFFFAOYSA-N 1 0 392.237 3.352 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000584048654 567007019 /nfs/dbraw/zinc/00/70/19/567007019.db2.gz ZXMVZUQXFBKUCH-LBPRGKRZSA-N 1 0 399.216 3.026 20 5 GGBDRO COc1cc(Br)c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1O ZINC000494645871 567013533 /nfs/dbraw/zinc/01/35/33/567013533.db2.gz DWFCBXAFSMOSMH-UHFFFAOYSA-N 1 0 381.226 3.404 20 5 GGBDRO CN(CC[N@H+](C)C1CC1)c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000472683668 567045087 /nfs/dbraw/zinc/04/50/87/567045087.db2.gz NGJAVBRFMJUXDF-UHFFFAOYSA-N 1 0 379.258 3.436 20 5 GGBDRO CC[C@@H]([NH2+]CCn1cc(Br)ccc1=O)c1cccc([N+](=O)[O-])c1 ZINC000453257636 567068471 /nfs/dbraw/zinc/06/84/71/567068471.db2.gz VDBHPUFZJMXPNM-OAHLLOKOSA-N 1 0 380.242 3.260 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000585699270 567080380 /nfs/dbraw/zinc/08/03/80/567080380.db2.gz ADLQDXMWOOFOIW-NSHDSACASA-N 1 0 384.274 3.126 20 5 GGBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000521878550 567084074 /nfs/dbraw/zinc/08/40/74/567084074.db2.gz ASQOLUUEOMFXNG-UHFFFAOYSA-N 1 0 395.257 3.270 20 5 GGBDRO C[C@@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000585808263 567091124 /nfs/dbraw/zinc/09/11/24/567091124.db2.gz LZTUVURAGGIPNS-SNVBAGLBSA-N 1 0 385.262 3.209 20 5 GGBDRO C[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000431641687 567099033 /nfs/dbraw/zinc/09/90/33/567099033.db2.gz WQBBYTSTIYAHIE-VXGBXAGGSA-N 1 0 384.274 3.350 20 5 GGBDRO C[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000431641686 567099697 /nfs/dbraw/zinc/09/96/97/567099697.db2.gz WQBBYTSTIYAHIE-RYUDHWBXSA-N 1 0 384.274 3.350 20 5 GGBDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000565803802 567101600 /nfs/dbraw/zinc/10/16/00/567101600.db2.gz PWVXAFPAKGPMRC-ZWNOBZJWSA-N 1 0 392.237 3.086 20 5 GGBDRO C[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000431776352 567107273 /nfs/dbraw/zinc/10/72/73/567107273.db2.gz PACXRZNJXSVFSW-LBPRGKRZSA-N 1 0 384.274 3.209 20 5 GGBDRO C[NH+](C)CC[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(C)(C)C ZINC000431950229 567118830 /nfs/dbraw/zinc/11/88/30/567118830.db2.gz LCBHWJODBRLHPQ-AWEZNQCLSA-N 1 0 386.290 3.454 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000588336590 567126624 /nfs/dbraw/zinc/12/66/24/567126624.db2.gz XCAOAGCMHZZVRI-GFCCVEGCSA-N 1 0 384.274 3.268 20 5 GGBDRO CCOc1cc(C[N@H+](C)CCn2cc(Br)cn2)ccc1[N+](=O)[O-] ZINC000588986293 567148566 /nfs/dbraw/zinc/14/85/66/567148566.db2.gz AHFCKGZDNLMRLU-UHFFFAOYSA-N 1 0 383.246 3.085 20 5 GGBDRO CC[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000589252257 567170134 /nfs/dbraw/zinc/17/01/34/567170134.db2.gz QFPATUHEUBDNDF-LLVKDONJSA-N 1 0 390.221 3.058 20 5 GGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000523908796 567176314 /nfs/dbraw/zinc/17/63/14/567176314.db2.gz QAZRCEITIBZRIW-CYBMUJFWSA-N 1 0 389.905 3.181 20 5 GGBDRO C[N@@H+]1CC[C@@]2(CCN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])C2)C1 ZINC000589879252 567195894 /nfs/dbraw/zinc/19/58/94/567195894.db2.gz XSVJOAFZGVCKEC-QGZVFWFLSA-N 1 0 391.269 3.438 20 5 GGBDRO C[NH+](C)CCOc1ccc(CNc2ncc(Br)cc2[N+](=O)[O-])cc1 ZINC000474781780 567199391 /nfs/dbraw/zinc/19/93/91/567199391.db2.gz VMPNOKWAWKJLPQ-UHFFFAOYSA-N 1 0 395.257 3.305 20 5 GGBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(Br)cc2C(F)(F)F)c1 ZINC000474796849 567200235 /nfs/dbraw/zinc/20/02/35/567200235.db2.gz OPUIOPIPMVRSEZ-UHFFFAOYSA-N 1 0 393.163 3.362 20 5 GGBDRO C[NH+](C)C[C@H]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000590140708 567211278 /nfs/dbraw/zinc/21/12/78/567211278.db2.gz VMVYPAIGAZLVNN-LLVKDONJSA-N 1 0 379.258 3.293 20 5 GGBDRO C[NH+](C)C[C@@H]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000590140710 567211767 /nfs/dbraw/zinc/21/17/67/567211767.db2.gz VMVYPAIGAZLVNN-NSHDSACASA-N 1 0 379.258 3.293 20 5 GGBDRO O=C(C[NH2+][C@H]1CC2CCC1CC2)Nc1ccc([N+](=O)[O-])cc1Br ZINC000433062109 567218589 /nfs/dbraw/zinc/21/85/89/567218589.db2.gz MZOXABMHOAKISO-NWHVRFAMSA-N 1 0 382.258 3.464 20 5 GGBDRO CCC[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)CC(C)(C)O ZINC000567283049 567233428 /nfs/dbraw/zinc/23/34/28/567233428.db2.gz VMVRIECWFSSDFN-UHFFFAOYSA-N 1 0 392.237 3.182 20 5 GGBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000525396701 567246315 /nfs/dbraw/zinc/24/63/15/567246315.db2.gz XHYPZTBAACORCF-NWDGAFQWSA-N 1 0 384.274 3.302 20 5 GGBDRO C[NH+](C)CCN(Cc1ccccn1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000433421682 567249283 /nfs/dbraw/zinc/24/92/83/567249283.db2.gz PIQPBZLZXANFTG-UHFFFAOYSA-N 1 0 379.258 3.321 20 5 GGBDRO Cc1c(NC(=O)N2CC[N@@H+](C)CC[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000500179628 567304997 /nfs/dbraw/zinc/30/49/97/567304997.db2.gz XIKLKURPIKXVRS-JTQLQIEISA-N 1 0 385.262 3.224 20 5 GGBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccc([N+](=O)[O-])cc1Br ZINC000434449677 567309999 /nfs/dbraw/zinc/30/99/99/567309999.db2.gz GCFSZVZRWWTKQC-ZDUSSCGKSA-N 1 0 382.258 3.104 20 5 GGBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccc([N+](=O)[O-])cc1Br ZINC000434449676 567310195 /nfs/dbraw/zinc/31/01/95/567310195.db2.gz GCFSZVZRWWTKQC-CYBMUJFWSA-N 1 0 382.258 3.104 20 5 GGBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592254796 567325232 /nfs/dbraw/zinc/32/52/32/567325232.db2.gz JPLFYORFJVPRAZ-OLZOCXBDSA-N 1 0 396.285 3.209 20 5 GGBDRO C[C@@H]1SCC[C@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000592379975 567334171 /nfs/dbraw/zinc/33/41/71/567334171.db2.gz GBWJDLFSMFDKNZ-QPUJVOFHSA-N 1 0 378.235 3.183 20 5 GGBDRO [NH3+]CCCN(CC1CCCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000592551975 567345235 /nfs/dbraw/zinc/34/52/35/567345235.db2.gz PMQFMIWEGSVJPQ-UHFFFAOYSA-N 1 0 398.301 3.267 20 5 GGBDRO C[NH+](C)CCCC(C)(C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000456163350 567345954 /nfs/dbraw/zinc/34/59/54/567345954.db2.gz GIDJUOVULFYSBF-UHFFFAOYSA-N 1 0 386.290 3.136 20 5 GGBDRO CCCN(C(=O)c1cc([N+](=O)[O-])cc(Br)c1C)[C@H]1CC[N@H+](C)C1 ZINC000592829806 567367812 /nfs/dbraw/zinc/36/78/12/567367812.db2.gz ZUZSUDFPYYUUAM-LBPRGKRZSA-N 1 0 384.274 3.222 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000593189324 567393801 /nfs/dbraw/zinc/39/38/01/567393801.db2.gz LESNNIWKOZEVAQ-YUSALJHKSA-N 1 0 384.274 3.219 20 5 GGBDRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000456684367 567401984 /nfs/dbraw/zinc/40/19/84/567401984.db2.gz OTUGLQZCNVHJDI-UHFFFAOYSA-N 1 0 382.258 3.104 20 5 GGBDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000569861000 567437384 /nfs/dbraw/zinc/43/73/84/567437384.db2.gz PDYUDMDXXPQUOL-HZMBPMFUSA-N 1 0 392.237 3.086 20 5 GGBDRO C[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593730283 567437521 /nfs/dbraw/zinc/43/75/21/567437521.db2.gz HFAZWXBABGRSAJ-SKDRFNHKSA-N 1 0 396.296 3.040 20 5 GGBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000570046389 567454403 /nfs/dbraw/zinc/45/44/03/567454403.db2.gz QULWRXLVDUOTRJ-CQSZACIVSA-N 1 0 383.901 3.331 20 5 GGBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(Br)cc1[N+](=O)[O-] ZINC000594196074 567464579 /nfs/dbraw/zinc/46/45/79/567464579.db2.gz KPGRPXRUPKUQDF-UONOGXRCSA-N 1 0 382.258 3.104 20 5 GGBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594196663 567464642 /nfs/dbraw/zinc/46/46/42/567464642.db2.gz LJZOOVOYOFYKMX-KGLIPLIRSA-N 1 0 383.901 3.473 20 5 GGBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1sc(Br)cc1[N+](=O)[O-] ZINC000594195782 567464911 /nfs/dbraw/zinc/46/49/11/567464911.db2.gz JEHQNAHIHQTDME-NXEZZACHSA-N 1 0 388.287 3.166 20 5 GGBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594196659 567465229 /nfs/dbraw/zinc/46/52/29/567465229.db2.gz LJZOOVOYOFYKMX-KBPBESRZSA-N 1 0 383.901 3.473 20 5 GGBDRO CS[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000437928859 567515117 /nfs/dbraw/zinc/51/51/17/567515117.db2.gz GKCJZPQEQCUUPF-GJZGRUSLSA-N 1 0 384.889 3.292 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000551781701 567534685 /nfs/dbraw/zinc/53/46/85/567534685.db2.gz JGFGDFGHHAQYOS-UHFFFAOYSA-N 1 0 382.258 3.048 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCn1cc(Br)cn1 ZINC000595052689 567539593 /nfs/dbraw/zinc/53/95/93/567539593.db2.gz SOGXNMXMJCHKMA-NSHDSACASA-N 1 0 383.246 3.303 20 5 GGBDRO Cc1cnccc1CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000571333694 567554823 /nfs/dbraw/zinc/55/48/23/567554823.db2.gz GFOGUZXENCMBNU-UHFFFAOYSA-N 1 0 397.216 3.235 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ccc(F)cc2Br)c1 ZINC000552226548 567569404 /nfs/dbraw/zinc/56/94/04/567569404.db2.gz HZRBJBISWIDYQC-CQSZACIVSA-N 1 0 399.216 3.026 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@H]4C[NH2+]C[C@H]4C3)o2)c(Br)c1 ZINC000479966391 567572077 /nfs/dbraw/zinc/57/20/77/567572077.db2.gz WTOHPEGWKZRJPJ-TXEJJXNPSA-N 1 0 392.253 3.269 20 5 GGBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccc(Br)cc1 ZINC000479978246 567573286 /nfs/dbraw/zinc/57/32/86/567573286.db2.gz JNVJAKRRWNMZPA-UHFFFAOYSA-N 1 0 396.216 3.016 20 5 GGBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3cccc(Br)c3)CC2)c1 ZINC000439321704 567581819 /nfs/dbraw/zinc/58/18/19/567581819.db2.gz UZDPUMBIJOCSLJ-UHFFFAOYSA-N 1 0 379.258 3.433 20 5 GGBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(c3cccc(Br)c3)CC2)n1 ZINC000439330557 567582314 /nfs/dbraw/zinc/58/23/14/567582314.db2.gz ZURMBAYCWGFQOY-UHFFFAOYSA-N 1 0 379.258 3.433 20 5 GGBDRO CC[C@H](C)[NH2+][C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccco1 ZINC000571708578 567583446 /nfs/dbraw/zinc/58/34/46/567583446.db2.gz JJPGAGHNIABNIO-WDEREUQCSA-N 1 0 387.483 3.194 20 5 GGBDRO CSc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000439476685 567589127 /nfs/dbraw/zinc/58/91/27/567589127.db2.gz ZQSUSWWUEKBPTR-CYBMUJFWSA-N 1 0 380.491 3.441 20 5 GGBDRO C[N@H+](CC1=CCSC1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000595887227 567589899 /nfs/dbraw/zinc/58/98/99/567589899.db2.gz BVRJRTMHMSWUCQ-UHFFFAOYSA-N 1 0 390.246 3.304 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N(C)CC(C)(C)[NH3+])cc2[N+](=O)[O-])n1 ZINC000595941964 567594485 /nfs/dbraw/zinc/59/44/85/567594485.db2.gz FECYMKFMUNIRSM-UHFFFAOYSA-N 1 0 380.495 3.320 20 5 GGBDRO CN1CCC([NH+]2CCC(Nc3c(Br)cccc3[N+](=O)[O-])CC2)CC1 ZINC000596101054 567608861 /nfs/dbraw/zinc/60/88/61/567608861.db2.gz JAGIBCBBHGKIAO-UHFFFAOYSA-N 1 0 397.317 3.328 20 5 GGBDRO O=[N+]([O-])c1cccc(Br)c1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000596144140 567611076 /nfs/dbraw/zinc/61/10/76/567611076.db2.gz APMKOYVNTUTOMR-UHFFFAOYSA-N 1 0 398.301 3.439 20 5 GGBDRO O=[N+]([O-])c1cncc(Cl)c1Sc1nnc(C2CC[NH2+]CC2)n1C1CC1 ZINC000596132546 567611725 /nfs/dbraw/zinc/61/17/25/567611725.db2.gz ZBKHHVCRWDMPRE-UHFFFAOYSA-N 1 0 380.861 3.188 20 5 GGBDRO Cn1c(Sc2c(Br)cccc2[N+](=O)[O-])nnc1C1CC[NH2+]CC1 ZINC000596131576 567611762 /nfs/dbraw/zinc/61/17/62/567611762.db2.gz PQZDYNYMUUQMGN-UHFFFAOYSA-N 1 0 398.286 3.104 20 5 GGBDRO C[NH+](C)CCCOC1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596149881 567612035 /nfs/dbraw/zinc/61/20/35/567612035.db2.gz BMAPGMZAQDIEKR-UHFFFAOYSA-N 1 0 386.290 3.294 20 5 GGBDRO CC(C)(C)C[C@H](O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000572446667 567640008 /nfs/dbraw/zinc/64/00/08/567640008.db2.gz BDBYJVUORGBWMW-ZDUSSCGKSA-N 1 0 392.237 3.086 20 5 GGBDRO COc1cc(C[NH2+]CCc2cccc(Br)c2)c([N+](=O)[O-])cc1O ZINC000459634957 567644665 /nfs/dbraw/zinc/64/46/65/567644665.db2.gz FXYWYPSZUSMUKT-UHFFFAOYSA-N 1 0 381.226 3.404 20 5 GGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)Cc2cc(F)cc(Br)c2)cc1 ZINC000459685487 567649943 /nfs/dbraw/zinc/64/99/43/567649943.db2.gz ASVYDWNYLLTQAM-AWEZNQCLSA-N 1 0 397.244 3.437 20 5 GGBDRO CC(C)(CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[NH+]1CCCCC1 ZINC000531264642 567650767 /nfs/dbraw/zinc/65/07/67/567650767.db2.gz FIRCKMRQPRKDNY-UHFFFAOYSA-N 1 0 398.301 3.281 20 5 GGBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000531509126 567662584 /nfs/dbraw/zinc/66/25/84/567662584.db2.gz CRLQXECYVMIBED-UHFFFAOYSA-N 1 0 398.301 3.233 20 5 GGBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCCSc2ccccc2)cc1 ZINC000572751442 567662765 /nfs/dbraw/zinc/66/27/65/567662765.db2.gz HYLSTDUGRBSOJQ-UHFFFAOYSA-N 1 0 380.491 3.141 20 5 GGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000572834934 567670361 /nfs/dbraw/zinc/67/03/61/567670361.db2.gz IOAHPPFMHUXNJH-CQSZACIVSA-N 1 0 385.247 3.474 20 5 GGBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000553674291 567675112 /nfs/dbraw/zinc/67/51/12/567675112.db2.gz HNUWIYJEKMYWIG-ZDUSSCGKSA-N 1 0 384.274 3.270 20 5 GGBDRO Cc1c(Br)c(N2CC([N@H+](C)Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000553676159 567675343 /nfs/dbraw/zinc/67/53/43/567675343.db2.gz FNCGSMKCKKCANY-UHFFFAOYSA-N 1 0 391.269 3.381 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000597710139 567712846 /nfs/dbraw/zinc/71/28/46/567712846.db2.gz HXZXWWOKLOXKQO-KRWDZBQOSA-N 1 0 396.285 3.224 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000597710140 567713094 /nfs/dbraw/zinc/71/30/94/567713094.db2.gz HXZXWWOKLOXKQO-QGZVFWFLSA-N 1 0 396.285 3.224 20 5 GGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000460956316 567713563 /nfs/dbraw/zinc/71/35/63/567713563.db2.gz JOLMVIUAVIJWKC-UHFFFAOYSA-N 1 0 383.539 3.264 20 5 GGBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000573483218 567716345 /nfs/dbraw/zinc/71/63/45/567716345.db2.gz QVWCQYFAVBKKFJ-UHFFFAOYSA-N 1 0 384.274 3.305 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597924452 567726016 /nfs/dbraw/zinc/72/60/16/567726016.db2.gz RVTAYNSLQRYLBN-NSHDSACASA-N 1 0 384.274 3.268 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCCCC[NH+]1CCCC1 ZINC000508089937 567728029 /nfs/dbraw/zinc/72/80/29/567728029.db2.gz QOKPZAXRFVFSBK-UHFFFAOYSA-N 1 0 398.301 3.282 20 5 GGBDRO CCC[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000443082914 567729895 /nfs/dbraw/zinc/72/98/95/567729895.db2.gz AZGGEOHAQVPWNI-MRXNPFEDSA-N 1 0 383.495 3.066 20 5 GGBDRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000554741821 567746328 /nfs/dbraw/zinc/74/63/28/567746328.db2.gz OYDCZRBBWSPPTQ-NSHDSACASA-N 1 0 392.257 3.256 20 5 GGBDRO C[N@H+](CC[C@@H]1CCCO1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000573964749 567747350 /nfs/dbraw/zinc/74/73/50/567747350.db2.gz WBEBJQHLROKPAP-AWEZNQCLSA-N 1 0 390.221 3.200 20 5 GGBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000598266458 567752000 /nfs/dbraw/zinc/75/20/00/567752000.db2.gz YCBRPALFYKGWIZ-LBPRGKRZSA-N 1 0 384.274 3.208 20 5 GGBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000598260348 567752145 /nfs/dbraw/zinc/75/21/45/567752145.db2.gz AZZSVTCOLJVEDD-LBPRGKRZSA-N 1 0 384.274 3.208 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCN3CCC3)o2)c(Br)c1 ZINC000533104626 567752730 /nfs/dbraw/zinc/75/27/30/567752730.db2.gz GCJHGELYICCJJV-UHFFFAOYSA-N 1 0 380.242 3.413 20 5 GGBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000443504571 567763960 /nfs/dbraw/zinc/76/39/60/567763960.db2.gz YCYXAHNVLMIKHG-GHMZBOCLSA-N 1 0 379.258 3.434 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000598976535 567801660 /nfs/dbraw/zinc/80/16/60/567801660.db2.gz XDKSZUPSRPVUMA-LBPRGKRZSA-N 1 0 384.274 3.352 20 5 GGBDRO C[C@@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000599065300 567804810 /nfs/dbraw/zinc/80/48/10/567804810.db2.gz KBOZWYYJJVVFOZ-RYUDHWBXSA-N 1 0 384.274 3.350 20 5 GGBDRO C[C@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000599071142 567804971 /nfs/dbraw/zinc/80/49/71/567804971.db2.gz QYAPQMYXVLQYDJ-NWDGAFQWSA-N 1 0 384.274 3.208 20 5 GGBDRO C[C@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000599065302 567805168 /nfs/dbraw/zinc/80/51/68/567805168.db2.gz KBOZWYYJJVVFOZ-VXGBXAGGSA-N 1 0 384.274 3.350 20 5 GGBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC([NH+]2CCCCC2)CC1 ZINC000599156317 567808052 /nfs/dbraw/zinc/80/80/52/567808052.db2.gz XMUMLJZIXOBQTC-UHFFFAOYSA-N 1 0 396.285 3.448 20 5 GGBDRO COc1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000023737433 570370817 /nfs/dbraw/zinc/37/08/17/570370817.db2.gz UQFCRHSGJLEOPW-GOSISDBHSA-N 1 0 399.447 3.179 20 5 GGBDRO C[NH+]1CCN(C(C)(C)CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000025058301 570706915 /nfs/dbraw/zinc/70/69/15/570706915.db2.gz SEFPOFGMZKANEN-UHFFFAOYSA-N 1 0 396.491 3.264 20 5 GGBDRO O=[N+]([O-])c1ccccc1C=CC[NH2+]CCSCc1ccccc1-c1nn[nH]n1 ZINC000738369795 598356971 /nfs/dbraw/zinc/35/69/71/598356971.db2.gz OVWWMUZZIWQAIS-VMPITWQZSA-N 1 0 396.476 3.311 20 5 GGBDRO C[C@H]1C[C@@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000820669141 606199244 /nfs/dbraw/zinc/19/92/44/606199244.db2.gz YWQMNHCEGRZQAP-YOEHRIQHSA-N 1 0 393.451 3.240 20 5 GGBDRO CC[NH+](CC)Cc1ccccc1CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC000821196590 606644854 /nfs/dbraw/zinc/64/48/54/606644854.db2.gz BIGUZFQTZWFPHK-UHFFFAOYSA-N 1 0 381.440 3.229 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)NCC(C)(C)[NH+](C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000053117226 1406297753 /nfs/dbraw/zinc/29/77/53/1406297753.db2.gz JAEMRPNNNVUVTA-CQSZACIVSA-N 1 0 385.468 3.233 20 5 GGBDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000053242122 1406342744 /nfs/dbraw/zinc/34/27/44/1406342744.db2.gz MOCDZPIRFCISTA-UHFFFAOYSA-N 1 0 377.466 3.307 20 5 GGBDRO CC1CC[NH+](CCCCNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000053404574 1406386374 /nfs/dbraw/zinc/38/63/74/1406386374.db2.gz UGDUDJPTWUXESD-UHFFFAOYSA-N 1 0 385.468 3.022 20 5 GGBDRO Cn1cc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053459217 1406399942 /nfs/dbraw/zinc/39/99/42/1406399942.db2.gz VISHRWQZNGOQHT-KRWDZBQOSA-N 1 0 399.476 3.090 20 5 GGBDRO CNC(=O)c1ccc(NC[C@H](c2ccccc2OC)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000053550370 1406439161 /nfs/dbraw/zinc/43/91/61/1406439161.db2.gz MLXKZUGLUNAWNR-LJQANCHMSA-N 1 0 398.463 3.212 20 5 GGBDRO CC[NH+]1CCN(c2ccc(Nc3ccc(C(=O)NC)cc3[N+](=O)[O-])c(C)c2)CC1 ZINC000053550279 1406439381 /nfs/dbraw/zinc/43/93/81/1406439381.db2.gz SGKBSMMUIBCXOJ-UHFFFAOYSA-N 1 0 397.479 3.148 20 5 GGBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000053967990 1406573154 /nfs/dbraw/zinc/57/31/54/1406573154.db2.gz PAVPWQDCVOJGIT-UHFFFAOYSA-N 1 0 398.419 3.206 20 5 GGBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000054032347 1406593582 /nfs/dbraw/zinc/59/35/82/1406593582.db2.gz AEVUTGBCPLZLPP-UHFFFAOYSA-N 1 0 386.408 3.275 20 5 GGBDRO Cn1cc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000054139078 1406628627 /nfs/dbraw/zinc/62/86/27/1406628627.db2.gz JMFNKTAMVCJMGN-UHFFFAOYSA-N 1 0 399.495 3.189 20 5 GGBDRO COc1cc(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000054227443 1406660614 /nfs/dbraw/zinc/66/06/14/1406660614.db2.gz XYFAFXBEZFHRSK-HOCLYGCPSA-N 1 0 399.447 3.177 20 5 GGBDRO COc1cc(C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000054227444 1406660719 /nfs/dbraw/zinc/66/07/19/1406660719.db2.gz XYFAFXBEZFHRSK-ZBFHGGJFSA-N 1 0 399.447 3.177 20 5 GGBDRO COc1cc(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000054260500 1406669037 /nfs/dbraw/zinc/66/90/37/1406669037.db2.gz CXKGMEIDKLDOOF-OKILXGFUSA-N 1 0 393.484 3.098 20 5 GGBDRO CC[NH+](CC)Cc1ccc(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000054645355 1406794097 /nfs/dbraw/zinc/79/40/97/1406794097.db2.gz NIIGARLTXJLBCJ-UHFFFAOYSA-N 1 0 384.480 3.479 20 5 GGBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000054727642 1406815203 /nfs/dbraw/zinc/81/52/03/1406815203.db2.gz IOTWPMMILAHMMN-HZPDHXFCSA-N 1 0 376.501 3.493 20 5 GGBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000055006594 1406868434 /nfs/dbraw/zinc/86/84/34/1406868434.db2.gz JQDVIBFKEMIUKM-INIZCTEOSA-N 1 0 389.477 3.379 20 5 GGBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000055404714 1406950134 /nfs/dbraw/zinc/95/01/34/1406950134.db2.gz SJLLPGBNVQMVMG-ZWKOTPCHSA-N 1 0 391.515 3.391 20 5 GGBDRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000006252157 1398539941 /nfs/dbraw/zinc/53/99/41/1398539941.db2.gz HRPBXUWKKIPUDD-GOSISDBHSA-N 1 0 384.436 3.329 20 5 GGBDRO C[NH+](C)Cc1ccc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000006983561 1398581344 /nfs/dbraw/zinc/58/13/44/1398581344.db2.gz RLEANAYKEINJLM-UHFFFAOYSA-N 1 0 396.491 3.189 20 5 GGBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000006992841 1398582410 /nfs/dbraw/zinc/58/24/10/1398582410.db2.gz KPFBVJOBYYOOAG-UHFFFAOYSA-N 1 0 382.464 3.187 20 5 GGBDRO CCOc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000008367131 1398826910 /nfs/dbraw/zinc/82/69/10/1398826910.db2.gz CTYGHSSOIWVPKT-MRXNPFEDSA-N 1 0 399.447 3.006 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000008367137 1398827009 /nfs/dbraw/zinc/82/70/09/1398827009.db2.gz WRDWOGGQYUUMCX-MRXNPFEDSA-N 1 0 399.447 3.006 20 5 GGBDRO CC1CC[NH+]([C@@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000010137120 1398877333 /nfs/dbraw/zinc/87/73/33/1398877333.db2.gz VJCJTDZMFKFUGU-KRWDZBQOSA-N 1 0 388.493 3.442 20 5 GGBDRO COc1cccc([C@@H](CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000010139119 1398877344 /nfs/dbraw/zinc/87/73/44/1398877344.db2.gz HARDCVONZVTZRN-QGZVFWFLSA-N 1 0 389.477 3.358 20 5 GGBDRO COc1ccccc1[C@H](CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000010448131 1398893354 /nfs/dbraw/zinc/89/33/54/1398893354.db2.gz MRQIKFRITGAJPB-SFHVURJKSA-N 1 0 399.447 3.179 20 5 GGBDRO C[NH+](C)C1(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CCCCC1 ZINC000011563730 1398994080 /nfs/dbraw/zinc/99/40/80/1398994080.db2.gz LGNDXYFRXBRFPZ-UHFFFAOYSA-N 1 0 388.512 3.192 20 5 GGBDRO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000015361972 1399157671 /nfs/dbraw/zinc/15/76/71/1399157671.db2.gz XXWRDRBYMXGFAI-UHFFFAOYSA-N 1 0 391.493 3.224 20 5 GGBDRO COc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)[NH+]2CCCC2)cc1 ZINC000015387704 1399160245 /nfs/dbraw/zinc/16/02/45/1399160245.db2.gz KHDDYMJEIUEPQW-FQEVSTJZSA-N 1 0 383.448 3.479 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000017794431 1399290794 /nfs/dbraw/zinc/29/07/94/1399290794.db2.gz JKTHBWFWXHQWSS-LJQANCHMSA-N 1 0 386.427 3.341 20 5 GGBDRO CC(C)[NH+]1CCC(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 ZINC000017819741 1399291786 /nfs/dbraw/zinc/29/17/86/1399291786.db2.gz BCMQEZGWKISCON-UHFFFAOYSA-N 1 0 388.512 3.434 20 5 GGBDRO COc1cccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)[NH+]2CCCC2)c1 ZINC000017909203 1399294413 /nfs/dbraw/zinc/29/44/13/1399294413.db2.gz JEFNWDFJIUEFDZ-HXUWFJFHSA-N 1 0 383.448 3.479 20 5 GGBDRO COc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC)[NH+]2CCCC2)cc1 ZINC000017911769 1399294905 /nfs/dbraw/zinc/29/49/05/1399294905.db2.gz ZQBOUYGXPDOGEU-IBGZPJMESA-N 1 0 399.447 3.179 20 5 GGBDRO CCOc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000019005855 1399324232 /nfs/dbraw/zinc/32/42/32/1399324232.db2.gz JIRBMAUMHJOKRJ-UHFFFAOYSA-N 1 0 383.448 3.388 20 5 GGBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000020903587 1399357012 /nfs/dbraw/zinc/35/70/12/1399357012.db2.gz YLARNTVSJYFPLL-UHFFFAOYSA-N 1 0 382.464 3.055 20 5 GGBDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000023738327 1399581540 /nfs/dbraw/zinc/58/15/40/1399581540.db2.gz AOFJBZOAPYPFLY-SFHVURJKSA-N 1 0 384.392 3.070 20 5 GGBDRO CC(C)[NH+]1CCC(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000025157210 1399758148 /nfs/dbraw/zinc/75/81/48/1399758148.db2.gz NQOLEBLYDTUBON-MRXNPFEDSA-N 1 0 388.512 3.434 20 5 GGBDRO CNc1ccc(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000025460293 1399811054 /nfs/dbraw/zinc/81/10/54/1399811054.db2.gz LUSUSLRNPMKPJQ-UHFFFAOYSA-N 1 0 382.464 3.203 20 5 GGBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000025855760 1399841509 /nfs/dbraw/zinc/84/15/09/1399841509.db2.gz GXVKOECWOLKLIK-UHFFFAOYSA-N 1 0 395.419 3.103 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CC[NH+](CCc4ccccc4)CC3)n2)c1 ZINC000025932424 1399847539 /nfs/dbraw/zinc/84/75/39/1399847539.db2.gz RLPYAWUAPHNYKL-UHFFFAOYSA-N 1 0 393.447 3.005 20 5 GGBDRO C[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000025939601 1399848284 /nfs/dbraw/zinc/84/82/84/1399848284.db2.gz SIHZCLYFCCPWNQ-OAHLLOKOSA-N 1 0 385.489 3.250 20 5 GGBDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000026225011 1399870975 /nfs/dbraw/zinc/87/09/75/1399870975.db2.gz NCYWXTOXUCTPQJ-UHFFFAOYSA-N 1 0 387.436 3.381 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN(c2ccccc2C)CC1 ZINC000026230006 1399871564 /nfs/dbraw/zinc/87/15/64/1399871564.db2.gz PFYYQIHDZAJFGM-UHFFFAOYSA-N 1 0 398.463 3.063 20 5 GGBDRO Cc1cccc(C[NH+]2CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000026249388 1399873227 /nfs/dbraw/zinc/87/32/27/1399873227.db2.gz DRWQVCAJTBYNED-UHFFFAOYSA-N 1 0 396.491 3.358 20 5 GGBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000026285052 1399875567 /nfs/dbraw/zinc/87/55/67/1399875567.db2.gz UICNWJJOMJTYPM-UHFFFAOYSA-N 1 0 386.408 3.275 20 5 GGBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000026300048 1399876820 /nfs/dbraw/zinc/87/68/20/1399876820.db2.gz XRYBKUDEOUYVFG-MAUKXSAKSA-N 1 0 387.505 3.365 20 5 GGBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000026300053 1399877075 /nfs/dbraw/zinc/87/70/75/1399877075.db2.gz XRYBKUDEOUYVFG-QAPCUYQASA-N 1 0 387.505 3.365 20 5 GGBDRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000026321398 1399878034 /nfs/dbraw/zinc/87/80/34/1399878034.db2.gz WYCFSQUQKAKFOO-UHFFFAOYSA-N 1 0 384.392 3.029 20 5 GGBDRO COC(=O)c1ccc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000026321632 1399878120 /nfs/dbraw/zinc/87/81/20/1399878120.db2.gz HFBCAFBCCMTALK-UHFFFAOYSA-N 1 0 385.420 3.150 20 5 GGBDRO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026335741 1399879042 /nfs/dbraw/zinc/87/90/42/1399879042.db2.gz XOPDTLJPJSGXJI-INIZCTEOSA-N 1 0 384.354 3.485 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCOc1ccccc1F ZINC000026337154 1399879566 /nfs/dbraw/zinc/87/95/66/1399879566.db2.gz FCKHVABMXVZGCH-UHFFFAOYSA-N 1 0 375.400 3.382 20 5 GGBDRO Cc1c(NC(=O)CCN2CC[NH+](CCc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000026341219 1399880222 /nfs/dbraw/zinc/88/02/22/1399880222.db2.gz PCFDOLLQIUEXED-UHFFFAOYSA-N 1 0 396.491 3.092 20 5 GGBDRO C[C@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000026730070 1399926594 /nfs/dbraw/zinc/92/65/94/1399926594.db2.gz BYFLXRYMQYLDOJ-OAHLLOKOSA-N 1 0 394.475 3.346 20 5 GGBDRO CC(C)[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000026727781 1399926685 /nfs/dbraw/zinc/92/66/85/1399926685.db2.gz MBNCVWMPGLCEGN-FQEVSTJZSA-N 1 0 382.464 3.189 20 5 GGBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000027087927 1399981247 /nfs/dbraw/zinc/98/12/47/1399981247.db2.gz PRZIGOBBJVQFTG-GOSISDBHSA-N 1 0 386.408 3.316 20 5 GGBDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000027390327 1400031355 /nfs/dbraw/zinc/03/13/55/1400031355.db2.gz RJVDRZSOYPHGGT-UHFFFAOYSA-N 1 0 393.447 3.128 20 5 GGBDRO NC(=O)c1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)c([N+](=O)[O-])c1 ZINC000027574867 1400060917 /nfs/dbraw/zinc/06/09/17/1400060917.db2.gz RATYPNHDQDOZMY-UHFFFAOYSA-N 1 0 397.431 3.367 20 5 GGBDRO CCOc1cc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000027677492 1400075907 /nfs/dbraw/zinc/07/59/07/1400075907.db2.gz MBKZTPVZZDCFLE-AWEZNQCLSA-N 1 0 393.465 3.096 20 5 GGBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000028037007 1400120745 /nfs/dbraw/zinc/12/07/45/1400120745.db2.gz KXKKESZCQLPYQH-QGZVFWFLSA-N 1 0 389.477 3.019 20 5 GGBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])NCc1cccc(C[NH+]2CCCC2)c1 ZINC000028390410 1400158473 /nfs/dbraw/zinc/15/84/73/1400158473.db2.gz QCQINOMCVZJZEY-UHFFFAOYSA-N 1 0 397.479 3.102 20 5 GGBDRO COc1cccc([C@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000028749845 1400191479 /nfs/dbraw/zinc/19/14/79/1400191479.db2.gz VJJALRGGRLPTTD-FQEVSTJZSA-N 1 0 398.463 3.210 20 5 GGBDRO CC(C)[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000029174715 1400253900 /nfs/dbraw/zinc/25/39/00/1400253900.db2.gz FSGTVRBZBXUPRS-NRFANRHFSA-N 1 0 397.475 3.173 20 5 GGBDRO O=c1[nH]cnc2cc(NC[C@H](c3ccco3)[NH+]3CCCCC3)c([N+](=O)[O-])cc12 ZINC000029187158 1400256028 /nfs/dbraw/zinc/25/60/28/1400256028.db2.gz KTQOVIZMMXIEIK-QGZVFWFLSA-N 1 0 383.408 3.063 20 5 GGBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000029366801 1400287938 /nfs/dbraw/zinc/28/79/38/1400287938.db2.gz QMTYWCMVDVQDDP-UHFFFAOYSA-N 1 0 395.550 3.165 20 5 GGBDRO CCOc1ccc(C(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1[N+](=O)[O-] ZINC000029367727 1400288375 /nfs/dbraw/zinc/28/83/75/1400288375.db2.gz QRHPHEQSHAIIRI-UHFFFAOYSA-N 1 0 393.509 3.085 20 5 GGBDRO Cc1cccc(C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000029999672 1400395622 /nfs/dbraw/zinc/39/56/22/1400395622.db2.gz BGCPNZPTVXDTFJ-HXUWFJFHSA-N 1 0 396.491 3.012 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH+](CCC(C)(C)C)CC1 ZINC000055933738 1407137893 /nfs/dbraw/zinc/13/78/93/1407137893.db2.gz QTYQKOFEHLQPGO-UHFFFAOYSA-N 1 0 376.501 3.286 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000056196446 1407247995 /nfs/dbraw/zinc/24/79/95/1407247995.db2.gz AZKXSVKJBSLXRZ-UONOGXRCSA-N 1 0 385.420 3.434 20 5 GGBDRO C[C@@H](NC(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000056382872 1407316688 /nfs/dbraw/zinc/31/66/88/1407316688.db2.gz VLKFQUKAQOYHPE-HZPDHXFCSA-N 1 0 382.464 3.402 20 5 GGBDRO CCC(CC)[C@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000056385726 1407316946 /nfs/dbraw/zinc/31/69/46/1407316946.db2.gz FAPXYPVXQBKLBE-KXBFYZLASA-N 1 0 392.500 3.092 20 5 GGBDRO C[C@H](NC(=O)NCCC[N@@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000056393552 1407318361 /nfs/dbraw/zinc/31/83/61/1407318361.db2.gz LHMWNKVNVBNUDL-INIZCTEOSA-N 1 0 382.464 3.403 20 5 GGBDRO C[C@H](NC(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000056421667 1407326453 /nfs/dbraw/zinc/32/64/53/1407326453.db2.gz AGLIFFDVKREROO-HNNXBMFYSA-N 1 0 383.452 3.015 20 5 GGBDRO O=C(C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1)N1CCCCC1 ZINC000056492494 1407348199 /nfs/dbraw/zinc/34/81/99/1407348199.db2.gz IRFBHJCAHLWPIG-UHFFFAOYSA-N 1 0 375.469 3.088 20 5 GGBDRO CCOc1cc(NC(=O)NC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])cc1OCC ZINC000043838634 1403827442 /nfs/dbraw/zinc/82/74/42/1403827442.db2.gz VISACWFBNINWRB-UHFFFAOYSA-N 1 0 392.456 3.141 20 5 GGBDRO CCCOc1cc(NC(=O)NC2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OCCC ZINC000043878413 1403839613 /nfs/dbraw/zinc/83/96/13/1403839613.db2.gz TUDWFZSDWVAVRE-UHFFFAOYSA-N 1 0 394.472 3.388 20 5 GGBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000045528241 1404139761 /nfs/dbraw/zinc/13/97/61/1404139761.db2.gz OYCXEZJSFNVOHV-LJQANCHMSA-N 1 0 382.464 3.178 20 5 GGBDRO CC[C@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000045625282 1404165589 /nfs/dbraw/zinc/16/55/89/1404165589.db2.gz RYVIDBLYMRFGTJ-LJQANCHMSA-N 1 0 382.464 3.231 20 5 GGBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[NH+](C2CCCC2)CC1 ZINC000045753756 1404194808 /nfs/dbraw/zinc/19/48/08/1404194808.db2.gz NPBBBSLURDRUCZ-ZDUSSCGKSA-N 1 0 380.876 3.135 20 5 GGBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000045756720 1404195652 /nfs/dbraw/zinc/19/56/52/1404195652.db2.gz LDDBWZIDVCASHB-UHFFFAOYSA-N 1 0 389.843 3.429 20 5 GGBDRO Cc1cccc(C[NH+]2CCN(CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000045799553 1404207646 /nfs/dbraw/zinc/20/76/46/1404207646.db2.gz AQKGFZQJNHGHAB-UHFFFAOYSA-N 1 0 396.491 3.358 20 5 GGBDRO Cc1cccc(C[NH+]2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000045799549 1404207848 /nfs/dbraw/zinc/20/78/48/1404207848.db2.gz MBYCPNUIIDSCQP-UHFFFAOYSA-N 1 0 396.491 3.358 20 5 GGBDRO Cc1c(NC(=O)CCN2CC[NH+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000045799542 1404207948 /nfs/dbraw/zinc/20/79/48/1404207948.db2.gz PMGPSDYRIUKFIF-UHFFFAOYSA-N 1 0 382.464 3.050 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000045843752 1404222164 /nfs/dbraw/zinc/22/21/64/1404222164.db2.gz FIDDVKYNYQQAQC-HNNXBMFYSA-N 1 0 375.450 3.232 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000046033787 1404280710 /nfs/dbraw/zinc/28/07/10/1404280710.db2.gz NDRITKOYFZIVKR-GOSISDBHSA-N 1 0 389.477 3.019 20 5 GGBDRO O=C(NC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1)c1ccc(F)cc1 ZINC000046054661 1404284641 /nfs/dbraw/zinc/28/46/41/1404284641.db2.gz NWPQUMMXPWZLGT-UHFFFAOYSA-N 1 0 387.411 3.007 20 5 GGBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NCc1cccc(C[NH+]2CCCC2)c1 ZINC000046375562 1404389040 /nfs/dbraw/zinc/38/90/40/1404389040.db2.gz JTBZOAHZDYZEOC-UHFFFAOYSA-N 1 0 382.464 3.309 20 5 GGBDRO C[N@@H+]1CCCN(c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000046403818 1404401310 /nfs/dbraw/zinc/40/13/10/1404401310.db2.gz XQGMHTMEAVWNSJ-LFYBBSHMSA-N 1 0 380.448 3.389 20 5 GGBDRO C[N@@H+]1CCCN(c2ccc(NC(=O)CCNc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000046404074 1404401934 /nfs/dbraw/zinc/40/19/34/1404401934.db2.gz JLGGRLZAKUFHIW-UHFFFAOYSA-N 1 0 397.479 3.177 20 5 GGBDRO CS(=O)(=O)c1ccc(NCc2cccc(C[NH+]3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000046479233 1404437404 /nfs/dbraw/zinc/43/74/04/1404437404.db2.gz DAZSEKYZTTVCMD-UHFFFAOYSA-N 1 0 389.477 3.206 20 5 GGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000046762685 1404581665 /nfs/dbraw/zinc/58/16/65/1404581665.db2.gz AGKLNHGAGKNZMI-CALCHBBNSA-N 1 0 376.501 3.494 20 5 GGBDRO CCOc1ccc(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000047038722 1404684432 /nfs/dbraw/zinc/68/44/32/1404684432.db2.gz BKOYLEWBTLRKCG-HZPDHXFCSA-N 1 0 377.485 3.481 20 5 GGBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000047008879 1404672471 /nfs/dbraw/zinc/67/24/71/1404672471.db2.gz YLGHUSZDGSVEPO-UHFFFAOYSA-N 1 0 392.525 3.098 20 5 GGBDRO CC1CC[NH+](CCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000047119652 1404712431 /nfs/dbraw/zinc/71/24/31/1404712431.db2.gz OOGODWVQMYXXTJ-UHFFFAOYSA-N 1 0 377.488 3.003 20 5 GGBDRO C[C@@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000047119424 1404712660 /nfs/dbraw/zinc/71/26/60/1404712660.db2.gz SQPDOVVKKYOJGP-IRXDYDNUSA-N 1 0 388.512 3.048 20 5 GGBDRO C[C@@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000047119423 1404712833 /nfs/dbraw/zinc/71/28/33/1404712833.db2.gz SQPDOVVKKYOJGP-SJORKVTESA-N 1 0 388.512 3.048 20 5 GGBDRO CCOC(=O)c1cc(C(=O)NCCCC[NH+]2CCC(C)CC2)cc([N+](=O)[O-])c1 ZINC000047214137 1404750168 /nfs/dbraw/zinc/75/01/68/1404750168.db2.gz NUEQBLWMARENPY-UHFFFAOYSA-N 1 0 391.468 3.013 20 5 GGBDRO CCOC(=O)c1cc(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000047213930 1404750213 /nfs/dbraw/zinc/75/02/13/1404750213.db2.gz PFDFFNVCOWZVDG-OAHLLOKOSA-N 1 0 391.468 3.013 20 5 GGBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047306164 1404798387 /nfs/dbraw/zinc/79/83/87/1404798387.db2.gz PWZXTJTVYJDNBR-UHFFFAOYSA-N 1 0 382.464 3.035 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CCC[N@H+](Cc4ccccc4)CC3)n2)cc1 ZINC000047406721 1404828278 /nfs/dbraw/zinc/82/82/78/1404828278.db2.gz JAJUEUNVGFMSEB-UHFFFAOYSA-N 1 0 393.447 3.353 20 5 GGBDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC000047587757 1404873703 /nfs/dbraw/zinc/87/37/03/1404873703.db2.gz KVUPAZKCJAPQIO-CALCHBBNSA-N 1 0 397.475 3.063 20 5 GGBDRO COc1ccc([C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[NH+]2CCCCC2)cc1 ZINC000047650421 1404886327 /nfs/dbraw/zinc/88/63/27/1404886327.db2.gz ZYPHSVNWPYWKAE-OAQYLSRUSA-N 1 0 397.475 3.489 20 5 GGBDRO CC1CC[NH+](CCCNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000047865017 1404977348 /nfs/dbraw/zinc/97/73/48/1404977348.db2.gz RVIDOXPNNGIRGR-UHFFFAOYSA-N 1 0 386.399 3.440 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000048039632 1405030796 /nfs/dbraw/zinc/03/07/96/1405030796.db2.gz SVGUZAZYOZZILY-INIZCTEOSA-N 1 0 376.388 3.167 20 5 GGBDRO COc1ccc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000048045821 1405031316 /nfs/dbraw/zinc/03/13/16/1405031316.db2.gz PAJHUQQURIMSQD-HNNXBMFYSA-N 1 0 375.469 3.074 20 5 GGBDRO C[C@H]1CCC[N@H+](Cc2csc(=NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)[nH]2)C1 ZINC000048315801 1405141509 /nfs/dbraw/zinc/14/15/09/1405141509.db2.gz CPJQEXIYXKUENQ-LBPRGKRZSA-N 1 0 399.476 3.439 20 5 GGBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccsc1 ZINC000048322021 1405145008 /nfs/dbraw/zinc/14/50/08/1405145008.db2.gz AZSVMDNSVYWFLF-OAHLLOKOSA-N 1 0 380.445 3.191 20 5 GGBDRO COc1cccc([C@@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000049798689 1405420669 /nfs/dbraw/zinc/42/06/69/1405420669.db2.gz QNNMHBCNLDUWQT-LJQANCHMSA-N 1 0 386.452 3.048 20 5 GGBDRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000049980101 1405439653 /nfs/dbraw/zinc/43/96/53/1405439653.db2.gz PLOPYABPPQTBKV-UHFFFAOYSA-N 1 0 396.919 3.169 20 5 GGBDRO O=C(CN1CC[NH+](CC2CCCCC2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000049981771 1405439948 /nfs/dbraw/zinc/43/99/48/1405439948.db2.gz GFHPTJRXRQMJBN-UHFFFAOYSA-N 1 0 394.903 3.385 20 5 GGBDRO O=C(CN1CC[NH+](CC2CCCCC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000049981778 1405440003 /nfs/dbraw/zinc/44/00/03/1405440003.db2.gz FDHIRLUCXRIUPF-UHFFFAOYSA-N 1 0 394.903 3.385 20 5 GGBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000050008689 1405447937 /nfs/dbraw/zinc/44/79/37/1405447937.db2.gz KRFDLGFPPDCDDB-UHFFFAOYSA-N 1 0 397.479 3.119 20 5 GGBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000050136787 1405497814 /nfs/dbraw/zinc/49/78/14/1405497814.db2.gz TZXKALQJVCNNDS-INIZCTEOSA-N 1 0 388.493 3.368 20 5 GGBDRO CC(C)[N@H+](C)Cc1ccccc1CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000052243840 1406000658 /nfs/dbraw/zinc/00/06/58/1406000658.db2.gz CPTNPGAXOZVECM-UHFFFAOYSA-N 1 0 391.493 3.451 20 5 GGBDRO CC[NH+](CC)CCNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000052916960 1406228729 /nfs/dbraw/zinc/22/87/29/1406228729.db2.gz WBRHJCWBJFUXHK-OAHLLOKOSA-N 1 0 385.468 3.235 20 5 GGBDRO CC[NH+](CC)CCNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000052916957 1406229113 /nfs/dbraw/zinc/22/91/13/1406229113.db2.gz WBRHJCWBJFUXHK-HNNXBMFYSA-N 1 0 385.468 3.235 20 5 GGBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000052932109 1406235048 /nfs/dbraw/zinc/23/50/48/1406235048.db2.gz PBPQPDVIMCBZQS-UHFFFAOYSA-N 1 0 378.432 3.471 20 5 GGBDRO C[C@@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[N@@H+]1CCc2ccccc2C1 ZINC000056849123 1407455082 /nfs/dbraw/zinc/45/50/82/1407455082.db2.gz HSBSSLCBLRCUFV-AWEZNQCLSA-N 1 0 378.432 3.253 20 5 GGBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000057156374 1407538560 /nfs/dbraw/zinc/53/85/60/1407538560.db2.gz VKHZSWDXCZBCJY-MRXNPFEDSA-N 1 0 376.501 3.435 20 5 GGBDRO C[NH+]1CCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2)CC1 ZINC000057273824 1407576621 /nfs/dbraw/zinc/57/66/21/1407576621.db2.gz CBQWCEHCJQDBFQ-UHFFFAOYSA-N 1 0 388.855 3.248 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CCCCC1 ZINC000057374365 1407599421 /nfs/dbraw/zinc/59/94/21/1407599421.db2.gz RERURYZDOBKQHA-LJQANCHMSA-N 1 0 385.468 3.021 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CCCCC1 ZINC000057374364 1407599561 /nfs/dbraw/zinc/59/95/61/1407599561.db2.gz RERURYZDOBKQHA-IBGZPJMESA-N 1 0 385.468 3.021 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CCCCC1 ZINC000057374370 1407599637 /nfs/dbraw/zinc/59/96/37/1407599637.db2.gz XFVNSRAYYRWCRJ-LJQANCHMSA-N 1 0 385.468 3.021 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CCCCC1 ZINC000057374367 1407599674 /nfs/dbraw/zinc/59/96/74/1407599674.db2.gz XFVNSRAYYRWCRJ-IBGZPJMESA-N 1 0 385.468 3.021 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000057554144 1407647654 /nfs/dbraw/zinc/64/76/54/1407647654.db2.gz OOFAGCMDHMUDNQ-CQSZACIVSA-N 1 0 397.431 3.362 20 5 GGBDRO C[C@@H](CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000057702344 1407691944 /nfs/dbraw/zinc/69/19/44/1407691944.db2.gz WFYCZIZPABDCRM-GJZGRUSLSA-N 1 0 397.479 3.375 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000057704638 1407693176 /nfs/dbraw/zinc/69/31/76/1407693176.db2.gz SYYXVQMBYYUIJC-SFHVURJKSA-N 1 0 389.477 3.019 20 5 GGBDRO O=C(c1ccccc1)c1ccc(NCCC[NH+]2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000059363433 1407920404 /nfs/dbraw/zinc/92/04/04/1407920404.db2.gz VEPACTQXFHUQQD-UHFFFAOYSA-N 1 0 383.448 3.085 20 5 GGBDRO C[C@@H]1CCC[C@@](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000059922051 1407929610 /nfs/dbraw/zinc/92/96/10/1407929610.db2.gz GEFSIFULQKOZPW-IIBYNOLFSA-N 1 0 388.512 3.435 20 5 GGBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000059951284 1407931467 /nfs/dbraw/zinc/93/14/67/1407931467.db2.gz UISGIYLQYWLQFM-SFHVURJKSA-N 1 0 382.464 3.035 20 5 GGBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000060369954 1407963509 /nfs/dbraw/zinc/96/35/09/1407963509.db2.gz UASXOMFYPYSXNB-INIZCTEOSA-N 1 0 384.436 3.118 20 5 GGBDRO CCOc1cc(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000060395041 1407970588 /nfs/dbraw/zinc/97/05/88/1407970588.db2.gz ZTILLYSDCDWICA-UHFFFAOYSA-N 1 0 393.484 3.195 20 5 GGBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCC[N@@H+](C)Cc2ccccc2)cc1C ZINC000060497941 1407990956 /nfs/dbraw/zinc/99/09/56/1407990956.db2.gz QEJBFEPCKJRTCE-UHFFFAOYSA-N 1 0 391.493 3.012 20 5 GGBDRO O=c1[nH]cnc2cc(NCC3CC[NH+](Cc4cccs4)CC3)c([N+](=O)[O-])cc12 ZINC000060864883 1408044205 /nfs/dbraw/zinc/04/42/05/1408044205.db2.gz SXRBMENKVIBADJ-UHFFFAOYSA-N 1 0 399.476 3.217 20 5 GGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000061028921 1408068058 /nfs/dbraw/zinc/06/80/58/1408068058.db2.gz CFCQKWQWRQHCLB-UHFFFAOYSA-N 1 0 389.477 3.059 20 5 GGBDRO CC(C)c1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000061045179 1408070369 /nfs/dbraw/zinc/07/03/69/1408070369.db2.gz OEOZAXSDVYJLTK-UHFFFAOYSA-N 1 0 391.493 3.258 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061289366 1408103309 /nfs/dbraw/zinc/10/33/09/1408103309.db2.gz RJNPQKDPGMALRK-UHFFFAOYSA-N 1 0 385.489 3.367 20 5 GGBDRO CCN(C[C@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1)CC(F)(F)F ZINC000176406252 1428305642 /nfs/dbraw/zinc/30/56/42/1428305642.db2.gz QKNGRASDKOUQFH-CQSZACIVSA-N 1 0 375.391 3.310 20 5 GGBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063081641 1408302345 /nfs/dbraw/zinc/30/23/45/1408302345.db2.gz SJIFZXDBJOMYJA-UHFFFAOYSA-N 1 0 397.475 3.392 20 5 GGBDRO O=c1[nH]cnc2cc(NCC3CC[NH+](Cc4ccccc4)CC3)c([N+](=O)[O-])cc21 ZINC000063255602 1408324558 /nfs/dbraw/zinc/32/45/58/1408324558.db2.gz BOBATKAELDAKDI-UHFFFAOYSA-N 1 0 393.447 3.155 20 5 GGBDRO COc1ccc(C[NH+]2CCC(CNC(=O)c3csc([N+](=O)[O-])c3)CC2)cc1 ZINC000063262728 1408326238 /nfs/dbraw/zinc/32/62/38/1408326238.db2.gz XVQVTMFZRALHCH-UHFFFAOYSA-N 1 0 389.477 3.307 20 5 GGBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC2CC[NH+](CC3CCCC3)CC2)c1[N+](=O)[O-] ZINC000063282674 1408328430 /nfs/dbraw/zinc/32/84/30/1408328430.db2.gz XDPHEYGBWIUJAK-UHFFFAOYSA-N 1 0 392.456 3.370 20 5 GGBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1C ZINC000063311238 1408334136 /nfs/dbraw/zinc/33/41/36/1408334136.db2.gz SCQVVVWLLQICQZ-UHFFFAOYSA-N 1 0 395.525 3.145 20 5 GGBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063311256 1408335116 /nfs/dbraw/zinc/33/51/16/1408335116.db2.gz YANJBNFDBKWCBG-UHFFFAOYSA-N 1 0 395.525 3.090 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000063482471 1408361401 /nfs/dbraw/zinc/36/14/01/1408361401.db2.gz WVIHVFNOARDABY-MRXNPFEDSA-N 1 0 385.420 3.004 20 5 GGBDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3cccc([N+](=O)[O-])c3)cc2)C[C@@H](C)O1 ZINC000063561152 1408372401 /nfs/dbraw/zinc/37/24/01/1408372401.db2.gz MYEXMJLZFHJGMK-HZPDHXFCSA-N 1 0 383.448 3.134 20 5 GGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000063582496 1408374281 /nfs/dbraw/zinc/37/42/81/1408374281.db2.gz ADWGDROMZAFURL-FCEWJHQRSA-N 1 0 397.479 3.258 20 5 GGBDRO C[C@@H](C(=O)OC(C)(C)C)N(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000176421953 1428314245 /nfs/dbraw/zinc/31/42/45/1428314245.db2.gz MIGQKMIEGASAOT-ZDUSSCGKSA-N 1 0 375.425 3.454 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000063684960 1408391605 /nfs/dbraw/zinc/39/16/05/1408391605.db2.gz FUIBNGNSFGZSKF-UHFFFAOYSA-N 1 0 397.475 3.237 20 5 GGBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000063695174 1408392984 /nfs/dbraw/zinc/39/29/84/1408392984.db2.gz KSSYETCPZKKYNR-QGZVFWFLSA-N 1 0 388.512 3.435 20 5 GGBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000063726891 1408397991 /nfs/dbraw/zinc/39/79/91/1408397991.db2.gz IDHGOSUTZKRACD-UHFFFAOYSA-N 1 0 388.512 3.144 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)NC[C@H](C)[NH+]2CCCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000063732419 1408398513 /nfs/dbraw/zinc/39/85/13/1408398513.db2.gz CYFDXWGERIROLA-JKSUJKDBSA-N 1 0 397.479 3.377 20 5 GGBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000063758188 1408402358 /nfs/dbraw/zinc/40/23/58/1408402358.db2.gz WCJXJJWMLZIPSH-ZDUSSCGKSA-N 1 0 378.429 3.196 20 5 GGBDRO Cc1c(C(=O)NCCCC[NH+]2CCC(C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000063758596 1408403436 /nfs/dbraw/zinc/40/34/36/1408403436.db2.gz ZNFIBJIAHUSFGX-UHFFFAOYSA-N 1 0 378.429 3.053 20 5 GGBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000063778451 1408408272 /nfs/dbraw/zinc/40/82/72/1408408272.db2.gz PQHCKUHZFYQDIJ-UHFFFAOYSA-N 1 0 385.468 3.117 20 5 GGBDRO C[C@@H]1CCC[N@H+](CCCCNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000064113337 1408485405 /nfs/dbraw/zinc/48/54/05/1408485405.db2.gz ICGCITGDXGUMTG-MRXNPFEDSA-N 1 0 399.495 3.483 20 5 GGBDRO Cn1ccnc1C(=O)c1ccc(NC[C@@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000064113109 1408486065 /nfs/dbraw/zinc/48/60/65/1408486065.db2.gz MQYYINGUHIPUDP-IBGZPJMESA-N 1 0 393.447 3.274 20 5 GGBDRO Cn1ccnc1C(=O)c1ccc(N2CC[NH+](CCC(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000064113503 1408486436 /nfs/dbraw/zinc/48/64/36/1408486436.db2.gz QCUTYBKBFPGYOV-UHFFFAOYSA-N 1 0 399.495 3.118 20 5 GGBDRO Cc1c(NC(=O)[C@H](C)N2CC[NH+](CC3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000064129328 1408491724 /nfs/dbraw/zinc/49/17/24/1408491724.db2.gz HKNABYCNGCIOHW-KRWDZBQOSA-N 1 0 388.512 3.428 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH+](CC2CCCCC2)CC1 ZINC000064129316 1408492058 /nfs/dbraw/zinc/49/20/58/1408492058.db2.gz HBHHYAIMTILYCX-UHFFFAOYSA-N 1 0 388.512 3.430 20 5 GGBDRO Nc1c(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000064310833 1408532554 /nfs/dbraw/zinc/53/25/54/1408532554.db2.gz HGFCRFANSDPUQB-UHFFFAOYSA-N 1 0 378.448 3.044 20 5 GGBDRO C[C@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000064420567 1408551225 /nfs/dbraw/zinc/55/12/25/1408551225.db2.gz NCDNHASWEMEKIO-MJBXVCDLSA-N 1 0 383.876 3.395 20 5 GGBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064521032 1408572729 /nfs/dbraw/zinc/57/27/29/1408572729.db2.gz DVACMOWYAQFTGZ-HNNXBMFYSA-N 1 0 388.493 3.097 20 5 GGBDRO Nc1c(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc(F)cc1[N+](=O)[O-] ZINC000064521237 1408573376 /nfs/dbraw/zinc/57/33/76/1408573376.db2.gz BIMMGBAHVGRIAH-GFCCVEGCSA-N 1 0 392.456 3.020 20 5 GGBDRO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064643822 1408590344 /nfs/dbraw/zinc/59/03/44/1408590344.db2.gz XAJQHRJQMWICFT-HNNXBMFYSA-N 1 0 388.493 3.368 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000065088346 1408643415 /nfs/dbraw/zinc/64/34/15/1408643415.db2.gz UYYMNYBKJADWNY-VLIAUNLRSA-N 1 0 397.479 3.233 20 5 GGBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000065142299 1408648674 /nfs/dbraw/zinc/64/86/74/1408648674.db2.gz XSNPLTSFECPCQG-HZPDHXFCSA-N 1 0 399.495 3.267 20 5 GGBDRO COCCCC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000065164922 1408650585 /nfs/dbraw/zinc/65/05/85/1408650585.db2.gz QJLRSHUFSMJSJE-UHFFFAOYSA-N 1 0 397.475 3.413 20 5 GGBDRO O=C(CC1CCCC1)N1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065223202 1408654570 /nfs/dbraw/zinc/65/45/70/1408654570.db2.gz JMTGBACHEMPQOM-UHFFFAOYSA-N 1 0 375.469 3.088 20 5 GGBDRO CCOc1ccc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000065496725 1408679346 /nfs/dbraw/zinc/67/93/46/1408679346.db2.gz ORPGVYZINUSPHB-QGZVFWFLSA-N 1 0 375.400 3.165 20 5 GGBDRO CC[N@H+](C)Cc1cccc(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1 ZINC000065881149 1408747411 /nfs/dbraw/zinc/74/74/11/1408747411.db2.gz OVUOYTJCJWCHJS-UHFFFAOYSA-N 1 0 380.448 3.318 20 5 GGBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000065910343 1408752852 /nfs/dbraw/zinc/75/28/52/1408752852.db2.gz AWMLQRYCXORFJC-UHFFFAOYSA-N 1 0 390.827 3.391 20 5 GGBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000065931716 1408756981 /nfs/dbraw/zinc/75/69/81/1408756981.db2.gz FBNBXLYETASWJL-UHFFFAOYSA-N 1 0 384.411 3.419 20 5 GGBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000065931486 1408756988 /nfs/dbraw/zinc/75/69/88/1408756988.db2.gz NWKBEDZJGWCWGR-UHFFFAOYSA-N 1 0 398.438 3.279 20 5 GGBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000065931527 1408757030 /nfs/dbraw/zinc/75/70/30/1408757030.db2.gz BLTDNPZUMSYWCD-UHFFFAOYSA-N 1 0 389.427 3.093 20 5 GGBDRO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000065937359 1408758232 /nfs/dbraw/zinc/75/82/32/1408758232.db2.gz CERNHIGFXKLVMR-UHFFFAOYSA-N 1 0 377.391 3.385 20 5 GGBDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000065937159 1408758382 /nfs/dbraw/zinc/75/83/82/1408758382.db2.gz FRCAJQNGFSHUMQ-UHFFFAOYSA-N 1 0 391.855 3.217 20 5 GGBDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000065938223 1408758769 /nfs/dbraw/zinc/75/87/69/1408758769.db2.gz YKBIYDMJFFZRCZ-UHFFFAOYSA-N 1 0 377.391 3.006 20 5 GGBDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000065940370 1408759704 /nfs/dbraw/zinc/75/97/04/1408759704.db2.gz MFVLAFBNWNZHOX-UHFFFAOYSA-N 1 0 391.468 3.416 20 5 GGBDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000065939942 1408759943 /nfs/dbraw/zinc/75/99/43/1408759943.db2.gz SFBAVMKAJYFASF-UHFFFAOYSA-N 1 0 384.411 3.419 20 5 GGBDRO CS(=O)(=O)c1ccc(NC2CC[NH+](CC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000065946400 1408760728 /nfs/dbraw/zinc/76/07/28/1408760728.db2.gz RGTCVDMAGBJPAO-UHFFFAOYSA-N 1 0 395.525 3.455 20 5 GGBDRO COCC[N@H+](CCCc1ccccc1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000065958918 1408762431 /nfs/dbraw/zinc/76/24/31/1408762431.db2.gz MDQMLQQBJZFHAH-UHFFFAOYSA-N 1 0 397.475 3.065 20 5 GGBDRO COCC[N@H+](CCCc1ccccc1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000065958792 1408762752 /nfs/dbraw/zinc/76/27/52/1408762752.db2.gz BDIGDVUBFWGNTQ-UHFFFAOYSA-N 1 0 397.475 3.065 20 5 GGBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000065971360 1408764972 /nfs/dbraw/zinc/76/49/72/1408764972.db2.gz IWDINPKMABYDGQ-UHFFFAOYSA-N 1 0 383.514 3.042 20 5 GGBDRO COc1cc(OCC(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC000066027623 1408775813 /nfs/dbraw/zinc/77/58/13/1408775813.db2.gz DWVAXZYLKGTAIR-UHFFFAOYSA-N 1 0 399.447 3.259 20 5 GGBDRO CCNC(=O)[C@@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000066236525 1408793343 /nfs/dbraw/zinc/79/33/43/1408793343.db2.gz MKCBBILXBRZNKP-OAHLLOKOSA-N 1 0 393.447 3.062 20 5 GGBDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066334166 1408815267 /nfs/dbraw/zinc/81/52/67/1408815267.db2.gz HDNZHUGTJJTGGQ-UHFFFAOYSA-N 1 0 397.431 3.257 20 5 GGBDRO C[NH+]1CCN(c2ncccc2CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000066372741 1408825285 /nfs/dbraw/zinc/82/52/85/1408825285.db2.gz JMSZHHANNJLMJP-UHFFFAOYSA-N 1 0 395.385 3.373 20 5 GGBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066616134 1408868660 /nfs/dbraw/zinc/86/86/60/1408868660.db2.gz VIFDOYLHZRTRGA-UHFFFAOYSA-N 1 0 399.447 3.136 20 5 GGBDRO O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000066785729 1408913752 /nfs/dbraw/zinc/91/37/52/1408913752.db2.gz ITEVTELBMCEFIV-UHFFFAOYSA-N 1 0 386.408 3.255 20 5 GGBDRO C[N@@H+](Cc1ccccc1)CC1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000066813040 1408919644 /nfs/dbraw/zinc/91/96/44/1408919644.db2.gz QZBGCNQVAFZWSK-UHFFFAOYSA-N 1 0 382.464 3.042 20 5 GGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3ccncc3)CC2)c(C(F)(F)F)c1 ZINC000066854758 1408932522 /nfs/dbraw/zinc/93/25/22/1408932522.db2.gz NVTIQPKAUPHZQW-UHFFFAOYSA-N 1 0 380.370 3.373 20 5 GGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000066935330 1408957116 /nfs/dbraw/zinc/95/71/16/1408957116.db2.gz IMAXHVPKFNYLAH-UHFFFAOYSA-N 1 0 391.493 3.176 20 5 GGBDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000067053840 1408993855 /nfs/dbraw/zinc/99/38/55/1408993855.db2.gz IHCORXJGYPCCRG-UHFFFAOYSA-N 1 0 398.463 3.227 20 5 GGBDRO COc1cccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C)[NH+]2CCCC2)c1 ZINC000067131076 1409015862 /nfs/dbraw/zinc/01/58/62/1409015862.db2.gz YYVBOHXTTSRNGG-FQEVSTJZSA-N 1 0 383.448 3.479 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000067162737 1409028572 /nfs/dbraw/zinc/02/85/72/1409028572.db2.gz FZXKDNVFFIMMNK-CALCHBBNSA-N 1 0 397.475 3.442 20 5 GGBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000067165058 1409029512 /nfs/dbraw/zinc/02/95/12/1409029512.db2.gz BKXNHZHRQLEXAS-INIZCTEOSA-N 1 0 385.468 3.022 20 5 GGBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000067165057 1409029785 /nfs/dbraw/zinc/02/97/85/1409029785.db2.gz BKXNHZHRQLEXAS-MRXNPFEDSA-N 1 0 385.468 3.022 20 5 GGBDRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000067203717 1409040765 /nfs/dbraw/zinc/04/07/65/1409040765.db2.gz JINNFMLFTYNCSW-KRWDZBQOSA-N 1 0 380.448 3.302 20 5 GGBDRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000067203587 1409040782 /nfs/dbraw/zinc/04/07/82/1409040782.db2.gz IKDMJLVKMXEXHM-SFHVURJKSA-N 1 0 394.475 3.328 20 5 GGBDRO CCOc1cc(C(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000067205139 1409041873 /nfs/dbraw/zinc/04/18/73/1409041873.db2.gz ZWNAIEFSKDLFDF-HNNXBMFYSA-N 1 0 399.447 3.135 20 5 GGBDRO CCOc1cc(C(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000067205138 1409042060 /nfs/dbraw/zinc/04/20/60/1409042060.db2.gz ZWNAIEFSKDLFDF-OAHLLOKOSA-N 1 0 399.447 3.135 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000176582010 1428370640 /nfs/dbraw/zinc/37/06/40/1428370640.db2.gz NOKLYEKFURAFFU-DOTOQJQBSA-N 1 0 383.448 3.386 20 5 GGBDRO CC(C)C[NH+]1CCC(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000067265371 1409058403 /nfs/dbraw/zinc/05/84/03/1409058403.db2.gz XNDNSTPYBBVRNP-UHFFFAOYSA-N 1 0 388.512 3.048 20 5 GGBDRO C[C@@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[NH+]1CCC(C)CC1 ZINC000067272610 1409060175 /nfs/dbraw/zinc/06/01/75/1409060175.db2.gz DKHHNOACELCMQX-KRWDZBQOSA-N 1 0 388.512 3.048 20 5 GGBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000067361257 1409084555 /nfs/dbraw/zinc/08/45/55/1409084555.db2.gz LHFMVUJEPLOGJM-IBGZPJMESA-N 1 0 397.475 3.392 20 5 GGBDRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000067361458 1409084807 /nfs/dbraw/zinc/08/48/07/1409084807.db2.gz AAUJYEXQNSFOEU-INIZCTEOSA-N 1 0 393.447 3.113 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000067361692 1409085261 /nfs/dbraw/zinc/08/52/61/1409085261.db2.gz BWYZIUSVZKQDGI-KRWDZBQOSA-N 1 0 383.448 3.245 20 5 GGBDRO COc1ccc([C@@H]2CC[N@@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)cc1 ZINC000067379019 1409093071 /nfs/dbraw/zinc/09/30/71/1409093071.db2.gz KJJHHYVHWIVHOL-OXQOHEQNSA-N 1 0 381.432 3.198 20 5 GGBDRO COc1cc(C)c([C@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000067452359 1409122477 /nfs/dbraw/zinc/12/24/77/1409122477.db2.gz YLXJGMKYFALFHX-KSSFIOAISA-N 1 0 399.447 3.377 20 5 GGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000067452304 1409122807 /nfs/dbraw/zinc/12/28/07/1409122807.db2.gz BDFNTWAAXLCOCK-KBXCAEBGSA-N 1 0 399.447 3.458 20 5 GGBDRO CC[C@@H](CNC(=O)c1cc(OC)ccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000067547777 1409155312 /nfs/dbraw/zinc/15/53/12/1409155312.db2.gz GQMMRDLBUCMMIM-KRWDZBQOSA-N 1 0 383.448 3.170 20 5 GGBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000067592509 1409178582 /nfs/dbraw/zinc/17/85/82/1409178582.db2.gz LSIBKDNOBYKOOB-OAHLLOKOSA-N 1 0 385.468 3.021 20 5 GGBDRO COc1cccc([C@@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)c1 ZINC000067725988 1409215690 /nfs/dbraw/zinc/21/56/90/1409215690.db2.gz LJIAHPANCRIXOU-HXUWFJFHSA-N 1 0 398.463 3.240 20 5 GGBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000176627807 1428384382 /nfs/dbraw/zinc/38/43/82/1428384382.db2.gz QWUMAPKIEBPRAN-KRWDZBQOSA-N 1 0 390.484 3.022 20 5 GGBDRO CC1CC[NH+](CCCCNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000067796495 1409233404 /nfs/dbraw/zinc/23/34/04/1409233404.db2.gz MXWPKIRERLUPPS-UHFFFAOYSA-N 1 0 385.468 3.022 20 5 GGBDRO CC[C@H](CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000067809796 1409236380 /nfs/dbraw/zinc/23/63/80/1409236380.db2.gz YHTBZKHPKDFLRU-LJQANCHMSA-N 1 0 397.475 3.099 20 5 GGBDRO COc1ccc(CC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000067818778 1409237704 /nfs/dbraw/zinc/23/77/04/1409237704.db2.gz VRXRYDLZEUVGSA-QAPCUYQASA-N 1 0 383.448 3.098 20 5 GGBDRO COc1ccc(CC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000067901732 1409252578 /nfs/dbraw/zinc/25/25/78/1409252578.db2.gz TXQLCPMRQBUAFH-MRXNPFEDSA-N 1 0 389.477 3.161 20 5 GGBDRO CCc1ccc([C@@H](CNC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000067901813 1409252794 /nfs/dbraw/zinc/25/27/94/1409252794.db2.gz SZCVQPOCZPHJMK-LJQANCHMSA-N 1 0 385.464 3.127 20 5 GGBDRO COc1ccc(CC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000067910787 1409254014 /nfs/dbraw/zinc/25/40/14/1409254014.db2.gz SVNVKNKKFXCAQV-HUUCEWRRSA-N 1 0 377.485 3.019 20 5 GGBDRO COc1ccc(CC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000067910781 1409254213 /nfs/dbraw/zinc/25/42/13/1409254213.db2.gz SVNVKNKKFXCAQV-GASCZTMLSA-N 1 0 377.485 3.019 20 5 GGBDRO COc1ccc(CC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000067914390 1409254533 /nfs/dbraw/zinc/25/45/33/1409254533.db2.gz CDFBAEWDZNLOPL-IBGZPJMESA-N 1 0 397.475 3.174 20 5 GGBDRO COc1ccc(CC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000067914394 1409254596 /nfs/dbraw/zinc/25/45/96/1409254596.db2.gz CDFBAEWDZNLOPL-LJQANCHMSA-N 1 0 397.475 3.174 20 5 GGBDRO COc1ccc(CC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1[N+](=O)[O-] ZINC000067922617 1409256405 /nfs/dbraw/zinc/25/64/05/1409256405.db2.gz NEFSLZQAWXZHPU-SFHVURJKSA-N 1 0 389.496 3.116 20 5 GGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000067924465 1409256505 /nfs/dbraw/zinc/25/65/05/1409256505.db2.gz MZDJGCOJKJWOBT-UHFFFAOYSA-N 1 0 385.464 3.256 20 5 GGBDRO Cc1c(NC(=O)CC[N@@H+](C)C[C@H]2COc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000067960995 1409264740 /nfs/dbraw/zinc/26/47/40/1409264740.db2.gz XLLUJEYEPYYWFO-HNNXBMFYSA-N 1 0 385.420 3.004 20 5 GGBDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3cccc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000067979114 1409268524 /nfs/dbraw/zinc/26/85/24/1409268524.db2.gz MYEXMJLZFHJGMK-IYBDPMFKSA-N 1 0 383.448 3.134 20 5 GGBDRO C[C@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000068065083 1409289115 /nfs/dbraw/zinc/28/91/15/1409289115.db2.gz SLLXROZSVCRDTF-MRXNPFEDSA-N 1 0 382.464 3.421 20 5 GGBDRO Cc1c(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000068084987 1409295593 /nfs/dbraw/zinc/29/55/93/1409295593.db2.gz FBOWZLXCXKXMQE-CYBMUJFWSA-N 1 0 378.429 3.196 20 5 GGBDRO Cc1cc(Cl)c(S(=O)(=O)NCc2ccccc2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000176656824 1428393398 /nfs/dbraw/zinc/39/33/98/1428393398.db2.gz OJHSPONBTZXHDN-UHFFFAOYSA-N 1 0 397.884 3.097 20 5 GGBDRO COc1ccc(CSCC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000068118604 1409307711 /nfs/dbraw/zinc/30/77/11/1409307711.db2.gz JUUZFYFDHMTFIZ-GJZGRUSLSA-N 1 0 395.525 3.073 20 5 GGBDRO CN(C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000068192767 1409327134 /nfs/dbraw/zinc/32/71/34/1409327134.db2.gz MMHWZODIXYSGQA-UHFFFAOYSA-N 1 0 382.464 3.373 20 5 GGBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000068203980 1409329829 /nfs/dbraw/zinc/32/98/29/1409329829.db2.gz VUVZLIGNAGQFMM-IRXDYDNUSA-N 1 0 386.496 3.424 20 5 GGBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000068386059 1409386272 /nfs/dbraw/zinc/38/62/72/1409386272.db2.gz UZHJCZSEXNZLSE-OAHLLOKOSA-N 1 0 399.447 3.032 20 5 GGBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000068386057 1409386320 /nfs/dbraw/zinc/38/63/20/1409386320.db2.gz UZHJCZSEXNZLSE-HNNXBMFYSA-N 1 0 399.447 3.032 20 5 GGBDRO COc1ccc(CC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000068386471 1409386603 /nfs/dbraw/zinc/38/66/03/1409386603.db2.gz NMXABBNOIZUKJV-HNNXBMFYSA-N 1 0 385.464 3.392 20 5 GGBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1ccccc1 ZINC000068386781 1409386638 /nfs/dbraw/zinc/38/66/38/1409386638.db2.gz RLYNGLDFFGXJTP-AWEZNQCLSA-N 1 0 399.447 3.225 20 5 GGBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1ccccc1 ZINC000068386783 1409386821 /nfs/dbraw/zinc/38/68/21/1409386821.db2.gz RLYNGLDFFGXJTP-CQSZACIVSA-N 1 0 399.447 3.225 20 5 GGBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1 ZINC000068387597 1409387142 /nfs/dbraw/zinc/38/71/42/1409387142.db2.gz MZSRZAYZQPJUMG-AWEZNQCLSA-N 1 0 399.447 3.225 20 5 GGBDRO Cc1nn(CCC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000068387676 1409387291 /nfs/dbraw/zinc/38/72/91/1409387291.db2.gz VMFQDDCSRACKIS-AWEZNQCLSA-N 1 0 387.484 3.044 20 5 GGBDRO Cc1nn(CCC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000068387678 1409387414 /nfs/dbraw/zinc/38/74/14/1409387414.db2.gz VMFQDDCSRACKIS-CQSZACIVSA-N 1 0 387.484 3.044 20 5 GGBDRO CCCC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000068442056 1409403937 /nfs/dbraw/zinc/40/39/37/1409403937.db2.gz VBKPDDRJIKVAPY-ZDUSSCGKSA-N 1 0 383.876 3.396 20 5 GGBDRO Cc1n[nH]c(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000068484519 1409415502 /nfs/dbraw/zinc/41/55/02/1409415502.db2.gz XSACKAUWMSYQDL-UHFFFAOYSA-N 1 0 399.495 3.091 20 5 GGBDRO COc1ccccc1[C@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N)[NH+]1CCCC1 ZINC000068510291 1409421911 /nfs/dbraw/zinc/42/19/11/1409421911.db2.gz OOLKRNBECJVFFC-SFHVURJKSA-N 1 0 398.463 3.061 20 5 GGBDRO Cc1c(NC(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000068555637 1409437817 /nfs/dbraw/zinc/43/78/17/1409437817.db2.gz AQFDSUQBPKWAGX-GASCZTMLSA-N 1 0 390.484 3.256 20 5 GGBDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000068589986 1409447062 /nfs/dbraw/zinc/44/70/62/1409447062.db2.gz CQKNUKSNKWIQMU-UHFFFAOYSA-N 1 0 392.406 3.146 20 5 GGBDRO CC(C)[N@@H+]1CCCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000068778506 1409490366 /nfs/dbraw/zinc/49/03/66/1409490366.db2.gz OGUQRZUVYIMDHH-UHFFFAOYSA-N 1 0 389.374 3.092 20 5 GGBDRO Cc1nn(Cc2ccc(C(=O)N3CCC[N@@H+](C(C)C)CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000068799309 1409494855 /nfs/dbraw/zinc/49/48/55/1409494855.db2.gz ITBXTYSOYQUAAY-UHFFFAOYSA-N 1 0 399.495 3.013 20 5 GGBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000068931773 1409528103 /nfs/dbraw/zinc/52/81/03/1409528103.db2.gz ASLGVSNRZUBDRD-UHFFFAOYSA-N 1 0 398.419 3.337 20 5 GGBDRO Cc1c(NC(=O)[C@H](C)N2CCC[N@H+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000068966956 1409535286 /nfs/dbraw/zinc/53/52/86/1409535286.db2.gz LSBHXXZLMKPBGC-SFHVURJKSA-N 1 0 396.491 3.438 20 5 GGBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000069044407 1409552117 /nfs/dbraw/zinc/55/21/17/1409552117.db2.gz KSSYETCPZKKYNR-KRWDZBQOSA-N 1 0 388.512 3.435 20 5 GGBDRO O=C(CN1CCC[C@H]1C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000069078760 1409559050 /nfs/dbraw/zinc/55/90/50/1409559050.db2.gz MLZOWWYXPMVEIY-HNNXBMFYSA-N 1 0 380.876 3.137 20 5 GGBDRO O=C(CN1CCC[C@@H]1C[NH+]1CCCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000069078824 1409559241 /nfs/dbraw/zinc/55/92/41/1409559241.db2.gz YZYNSORODXGZSN-OAHLLOKOSA-N 1 0 380.876 3.137 20 5 GGBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000176698310 1428416962 /nfs/dbraw/zinc/41/69/62/1428416962.db2.gz BIRLVSFXLZDNNV-HRCADAONSA-N 1 0 395.525 3.081 20 5 GGBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000069369057 1409623699 /nfs/dbraw/zinc/62/36/99/1409623699.db2.gz AFHJATHYIIKLDR-DOTOQJQBSA-N 1 0 385.489 3.466 20 5 GGBDRO Cc1ccc(NC(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000069612137 1409662380 /nfs/dbraw/zinc/66/23/80/1409662380.db2.gz JKCPSXSZQZNNFT-IBGZPJMESA-N 1 0 397.479 3.013 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000069612197 1409662536 /nfs/dbraw/zinc/66/25/36/1409662536.db2.gz DVTXPKFETIVOMU-HXUWFJFHSA-N 1 0 397.479 3.013 20 5 GGBDRO COc1cccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)[NH+](C)C)c1 ZINC000069617299 1409663778 /nfs/dbraw/zinc/66/37/78/1409663778.db2.gz XBARLIPZVNLPLO-KRWDZBQOSA-N 1 0 377.828 3.290 20 5 GGBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000069618842 1409664423 /nfs/dbraw/zinc/66/44/23/1409664423.db2.gz VMFMBHLWDNNQDW-LJQANCHMSA-N 1 0 398.419 3.378 20 5 GGBDRO Cc1c(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000069618832 1409664464 /nfs/dbraw/zinc/66/44/64/1409664464.db2.gz QFZOFWVWQYONAB-IBGZPJMESA-N 1 0 398.419 3.378 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1cccs1 ZINC000070690543 1409751923 /nfs/dbraw/zinc/75/19/23/1409751923.db2.gz WELATUJBTQVLHC-KRWDZBQOSA-N 1 0 388.493 3.289 20 5 GGBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000176719863 1428432570 /nfs/dbraw/zinc/43/25/70/1428432570.db2.gz PHTWEYAWJXDPPJ-FUHWJXTLSA-N 1 0 396.491 3.444 20 5 GGBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000176719851 1428432585 /nfs/dbraw/zinc/43/25/85/1428432585.db2.gz PHTWEYAWJXDPPJ-SJLPKXTDSA-N 1 0 396.491 3.444 20 5 GGBDRO C[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[N@@H+]1CCC[C@H](C)C1 ZINC000071942913 1409832098 /nfs/dbraw/zinc/83/20/98/1409832098.db2.gz RIMZDRFGFUKEPI-RYUDHWBXSA-N 1 0 386.399 3.438 20 5 GGBDRO CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000072054309 1409842139 /nfs/dbraw/zinc/84/21/39/1409842139.db2.gz HLNYPMRXOHNGPS-JXMROGBWSA-N 1 0 394.475 3.169 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000072809517 1409853327 /nfs/dbraw/zinc/85/33/27/1409853327.db2.gz PYGQNLQSRRXWHR-IRXDYDNUSA-N 1 0 375.469 3.087 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000072809514 1409853392 /nfs/dbraw/zinc/85/33/92/1409853392.db2.gz PYGQNLQSRRXWHR-SJORKVTESA-N 1 0 375.469 3.087 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000072809681 1409853519 /nfs/dbraw/zinc/85/35/19/1409853519.db2.gz GSMDAQJCZLVOCW-SJORKVTESA-N 1 0 375.469 3.087 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000072811522 1409853838 /nfs/dbraw/zinc/85/38/38/1409853838.db2.gz PLPJMTGBHGSMQL-HOTGVXAUSA-N 1 0 375.469 3.330 20 5 GGBDRO CCCC[N@H+](C)CC1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000074319630 1409871552 /nfs/dbraw/zinc/87/15/52/1409871552.db2.gz NEYAYFZZNVXRFI-INIZCTEOSA-N 1 0 376.501 3.366 20 5 GGBDRO CCCC[N@H+](C)CC1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000074763932 1409876444 /nfs/dbraw/zinc/87/64/44/1409876444.db2.gz BRULQKLEZHKQET-UHFFFAOYSA-N 1 0 376.501 3.291 20 5 GGBDRO CCC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000077321458 1409895357 /nfs/dbraw/zinc/89/53/57/1409895357.db2.gz BLFKDJPODZFOBQ-UHOSZYNNSA-N 1 0 375.469 3.083 20 5 GGBDRO CCC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000077321506 1409895447 /nfs/dbraw/zinc/89/54/47/1409895447.db2.gz VXKBVEUIHOYBHR-KYNGSXCRSA-N 1 0 375.469 3.367 20 5 GGBDRO CCOC(=O)c1ccnc(NC2CC[NH+](CC3CCCC3)CC2)c1[N+](=O)[O-] ZINC000077937961 1409904803 /nfs/dbraw/zinc/90/48/03/1409904803.db2.gz BSRZFBVWRHTKEL-UHFFFAOYSA-N 1 0 376.457 3.233 20 5 GGBDRO C[NH+]1CCC(Nc2ccccc2NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000078403344 1409915796 /nfs/dbraw/zinc/91/57/96/1409915796.db2.gz OPMMVEXCSXMLHN-UHFFFAOYSA-N 1 0 384.436 3.118 20 5 GGBDRO Cc1ccc([C@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000176732438 1428441025 /nfs/dbraw/zinc/44/10/25/1428441025.db2.gz GPLAITSZGUAFKG-INIZCTEOSA-N 1 0 385.468 3.133 20 5 GGBDRO CCCc1n[nH]c(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000078775044 1409935817 /nfs/dbraw/zinc/93/58/17/1409935817.db2.gz BFEJABKVGYEJGE-HNNXBMFYSA-N 1 0 399.495 3.432 20 5 GGBDRO CCCc1n[nH]c(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000078775047 1409935947 /nfs/dbraw/zinc/93/59/47/1409935947.db2.gz BFEJABKVGYEJGE-OAHLLOKOSA-N 1 0 399.495 3.432 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000092228643 1410125302 /nfs/dbraw/zinc/12/53/02/1410125302.db2.gz LFBNDEFAEAVGTR-UHFFFAOYSA-N 1 0 377.485 3.093 20 5 GGBDRO CCOc1cc(N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000092642466 1410181219 /nfs/dbraw/zinc/18/12/19/1410181219.db2.gz JOEVIXLWCKAPBE-HZPDHXFCSA-N 1 0 377.485 3.319 20 5 GGBDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000092710117 1410192535 /nfs/dbraw/zinc/19/25/35/1410192535.db2.gz NOUPVMQBOCWLJY-QGZVFWFLSA-N 1 0 399.495 3.124 20 5 GGBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000176793353 1428462989 /nfs/dbraw/zinc/46/29/89/1428462989.db2.gz RTNXBBDVQTUBQY-UHFFFAOYSA-N 1 0 397.522 3.026 20 5 GGBDRO NC(=O)N1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000092753935 1410197222 /nfs/dbraw/zinc/19/72/22/1410197222.db2.gz HPGVQEXQIKTDKS-UHFFFAOYSA-N 1 0 378.816 3.095 20 5 GGBDRO COc1cc(CN2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000092938525 1410210895 /nfs/dbraw/zinc/21/08/95/1410210895.db2.gz IKRAICPSLUANHG-CYBMUJFWSA-N 1 0 391.390 3.071 20 5 GGBDRO COCC[N@H+](CCO)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000093005921 1410214534 /nfs/dbraw/zinc/21/45/34/1410214534.db2.gz GFZBGKYHNDJNNE-UHFFFAOYSA-N 1 0 380.828 3.481 20 5 GGBDRO COCC[N@H+](CCO)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000093005496 1410214638 /nfs/dbraw/zinc/21/46/38/1410214638.db2.gz LZZHWJMBDQARIY-UHFFFAOYSA-N 1 0 380.828 3.481 20 5 GGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)o1 ZINC000093017531 1410217631 /nfs/dbraw/zinc/21/76/31/1410217631.db2.gz BZSIWJHXTOOYHU-KRWDZBQOSA-N 1 0 385.464 3.399 20 5 GGBDRO COc1cc(C[N@@H+]2CCC[C@H](CCO)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000093106449 1410222306 /nfs/dbraw/zinc/22/23/06/1410222306.db2.gz GGNLMDSTWHHYPE-GFCCVEGCSA-N 1 0 392.374 3.139 20 5 GGBDRO Cn1cc(C[N@H+](CCCO)Cc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093102029 1410222690 /nfs/dbraw/zinc/22/26/90/1410222690.db2.gz PDTNYSTVEPYNMR-UHFFFAOYSA-N 1 0 380.448 3.380 20 5 GGBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H](N4CCCC4=O)C3)o2)c([N+](=O)[O-])c1 ZINC000093278261 1410228142 /nfs/dbraw/zinc/22/81/42/1410228142.db2.gz VMCSYZUGSIKBIG-HNNXBMFYSA-N 1 0 399.447 3.450 20 5 GGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)nc1 ZINC000093534477 1410250827 /nfs/dbraw/zinc/25/08/27/1410250827.db2.gz HCZPMIMMLJESMK-INIZCTEOSA-N 1 0 382.399 3.205 20 5 GGBDRO Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000093534426 1410250933 /nfs/dbraw/zinc/25/09/33/1410250933.db2.gz CXXYDFSJCCVDLT-QGZVFWFLSA-N 1 0 378.436 3.375 20 5 GGBDRO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534358 1410251066 /nfs/dbraw/zinc/25/10/66/1410251066.db2.gz IVMVXUHGYHTMAC-QGZVFWFLSA-N 1 0 392.463 3.479 20 5 GGBDRO COc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000093534852 1410251908 /nfs/dbraw/zinc/25/19/08/1410251908.db2.gz BWQNFNQUMAYDFL-MRXNPFEDSA-N 1 0 394.435 3.075 20 5 GGBDRO COc1cccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1OC(C)C ZINC000093534620 1410251966 /nfs/dbraw/zinc/25/19/66/1410251966.db2.gz JVZZIUIRVMWPAV-INIZCTEOSA-N 1 0 386.452 3.472 20 5 GGBDRO COc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000093534851 1410252004 /nfs/dbraw/zinc/25/20/04/1410252004.db2.gz BWQNFNQUMAYDFL-INIZCTEOSA-N 1 0 394.435 3.075 20 5 GGBDRO CNC(=O)CC1CC[NH+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000093588168 1410254632 /nfs/dbraw/zinc/25/46/32/1410254632.db2.gz BBCQWKJLEJTYCW-UHFFFAOYSA-N 1 0 387.436 3.212 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](CN4CCOCC4)C3)s2)cc1 ZINC000093664069 1410258371 /nfs/dbraw/zinc/25/83/71/1410258371.db2.gz UCTXCJYTTCQTFH-INIZCTEOSA-N 1 0 387.505 3.477 20 5 GGBDRO COC(=O)CC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CCOCC1 ZINC000093734700 1410261515 /nfs/dbraw/zinc/26/15/15/1410261515.db2.gz UQCCMCKCUWUAOI-UHFFFAOYSA-N 1 0 388.420 3.399 20 5 GGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000093735209 1410261918 /nfs/dbraw/zinc/26/19/18/1410261918.db2.gz HUMRCIGPUVUPCL-UHFFFAOYSA-N 1 0 399.438 3.273 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[NH+](C[C@H]4CCOC4)CC3)s2)cc1 ZINC000093817427 1410271402 /nfs/dbraw/zinc/27/14/02/1410271402.db2.gz YVUXXUZQGLABCR-MRXNPFEDSA-N 1 0 387.505 3.477 20 5 GGBDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000093899390 1410280207 /nfs/dbraw/zinc/28/02/07/1410280207.db2.gz FLZVZBATDJMJFI-CYBMUJFWSA-N 1 0 375.400 3.340 20 5 GGBDRO O=C1[C@H](Nc2cccc(CC[NH+]3CCCC3)c2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000093919524 1410285766 /nfs/dbraw/zinc/28/57/66/1410285766.db2.gz UXZRXRZMGHPNQP-OAQYLSRUSA-N 1 0 394.475 3.451 20 5 GGBDRO COc1cc(OCC(=O)Nc2cccc(CC[NH+]3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000094122950 1410305529 /nfs/dbraw/zinc/30/55/29/1410305529.db2.gz LEIBPFBMDHYXDF-UHFFFAOYSA-N 1 0 399.447 3.259 20 5 GGBDRO CCc1nn(C)c(NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)c1[N+](=O)[O-] ZINC000094151315 1410307959 /nfs/dbraw/zinc/30/79/59/1410307959.db2.gz GJBGIQGZQYWSIF-UHFFFAOYSA-N 1 0 387.484 3.223 20 5 GGBDRO CCc1nn(C)c(NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c1[N+](=O)[O-] ZINC000094158934 1410308822 /nfs/dbraw/zinc/30/88/22/1410308822.db2.gz OLIBOVOEFZDMBY-OAHLLOKOSA-N 1 0 387.484 3.203 20 5 GGBDRO COc1ccc(C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)cc1[N+](=O)[O-] ZINC000097207684 1410358647 /nfs/dbraw/zinc/35/86/47/1410358647.db2.gz FAKASSBSWNONJA-UHFFFAOYSA-N 1 0 398.463 3.386 20 5 GGBDRO C[C@H]1C[NH+](CCCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000097253013 1410361090 /nfs/dbraw/zinc/36/10/90/1410361090.db2.gz ZUSBOCVGNKJBMD-GJZGRUSLSA-N 1 0 377.485 3.121 20 5 GGBDRO Cc1nn(C)c(N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1[N+](=O)[O-] ZINC000097473508 1410370399 /nfs/dbraw/zinc/37/03/99/1410370399.db2.gz QISWOUQOBYEEJQ-UHFFFAOYSA-N 1 0 397.401 3.368 20 5 GGBDRO C[C@H]1C[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@@H+]1Cc1ccccc1 ZINC000176815942 1428479256 /nfs/dbraw/zinc/47/92/56/1428479256.db2.gz PTPOJFKZBLZSEN-DOTOQJQBSA-N 1 0 382.464 3.302 20 5 GGBDRO CCOc1cc(C[NH2+]C(C)(C)C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000101591069 1410474527 /nfs/dbraw/zinc/47/45/27/1410474527.db2.gz LMEORRXQGGMMRY-UHFFFAOYSA-N 1 0 376.457 3.466 20 5 GGBDRO CC1CC[NH+](Cc2ccccc2CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000102332353 1410600658 /nfs/dbraw/zinc/60/06/58/1410600658.db2.gz YKVLYJKABQNVKA-UHFFFAOYSA-N 1 0 399.495 3.075 20 5 GGBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)cc1 ZINC000102520528 1410642513 /nfs/dbraw/zinc/64/25/13/1410642513.db2.gz QJILOQYLGLUXCB-UHFFFAOYSA-N 1 0 395.419 3.298 20 5 GGBDRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000102648437 1410684899 /nfs/dbraw/zinc/68/48/99/1410684899.db2.gz IFIMEUGTPXOSJU-OKILXGFUSA-N 1 0 395.887 3.210 20 5 GGBDRO C[N@H+](CCOc1cccc(CNc2ccc([N+](=O)[O-])cn2)c1)C1CCOCC1 ZINC000102766782 1410737595 /nfs/dbraw/zinc/73/75/95/1410737595.db2.gz ZVPDTECPVVDEEU-UHFFFAOYSA-N 1 0 386.452 3.092 20 5 GGBDRO C[N@H+](CCOc1cccc(CNc2ncccc2[N+](=O)[O-])c1)C1CCOCC1 ZINC000102766784 1410738378 /nfs/dbraw/zinc/73/83/78/1410738378.db2.gz PRBJWNFZRYYPDT-UHFFFAOYSA-N 1 0 386.452 3.092 20 5 GGBDRO COCCC[N@@H+]1Cc2cccc(N[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])c2C1 ZINC000102779361 1410746163 /nfs/dbraw/zinc/74/61/63/1410746163.db2.gz QTBQNCBFYYJLMJ-HNNXBMFYSA-N 1 0 398.463 3.386 20 5 GGBDRO COCCC[N@@H+]1Cc2cccc(N[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])c2C1 ZINC000102779365 1410747782 /nfs/dbraw/zinc/74/77/82/1410747782.db2.gz QTBQNCBFYYJLMJ-OAHLLOKOSA-N 1 0 398.463 3.386 20 5 GGBDRO C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000176885014 1428512067 /nfs/dbraw/zinc/51/20/67/1428512067.db2.gz HIHOHYDGGRIQCM-APWZRJJASA-N 1 0 382.464 3.399 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000102845541 1410798478 /nfs/dbraw/zinc/79/84/78/1410798478.db2.gz LDIPQIGPBUQUSB-INIZCTEOSA-N 1 0 384.436 3.118 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCC(C)CC2)cc1SC ZINC000103064461 1410823983 /nfs/dbraw/zinc/82/39/83/1410823983.db2.gz RFMBFRPGYHEOMS-UHFFFAOYSA-N 1 0 381.498 3.177 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1SC ZINC000103076340 1410825771 /nfs/dbraw/zinc/82/57/71/1410825771.db2.gz ZGLRRZTUXZSUKT-ZDUSSCGKSA-N 1 0 381.498 3.176 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(C[NH+](C)C)cc2)cc1SC ZINC000103186002 1410835482 /nfs/dbraw/zinc/83/54/82/1410835482.db2.gz ZZPFRSILBAZREM-UHFFFAOYSA-N 1 0 389.477 3.317 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc1SC ZINC000103185937 1410835557 /nfs/dbraw/zinc/83/55/57/1410835557.db2.gz LCXIFIIKLRGMQU-CYBMUJFWSA-N 1 0 381.498 3.320 20 5 GGBDRO C[NH+]1CCC(Nc2ccccc2NC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000103252062 1410840862 /nfs/dbraw/zinc/84/08/62/1410840862.db2.gz NQCFBXUOMSVMKL-UHFFFAOYSA-N 1 0 383.452 3.152 20 5 GGBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)CC2CC[NH+](C)CC2)CC1 ZINC000103453113 1410858307 /nfs/dbraw/zinc/85/83/07/1410858307.db2.gz QIKHWJSHHFTFHS-UHFFFAOYSA-N 1 0 388.512 3.245 20 5 GGBDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1 ZINC000104271568 1410889923 /nfs/dbraw/zinc/88/99/23/1410889923.db2.gz MSILDLDKBBYISZ-UHFFFAOYSA-N 1 0 390.415 3.289 20 5 GGBDRO Cc1nn(Cc2ccc(C(=O)N3CCCC[C@@H]3C[NH+](C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000104412529 1410895158 /nfs/dbraw/zinc/89/51/58/1410895158.db2.gz HUYPARRLZZSRIP-LJQANCHMSA-N 1 0 399.495 3.013 20 5 GGBDRO C[NH+](C)Cc1ccnc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 ZINC000176923701 1428521648 /nfs/dbraw/zinc/52/16/48/1428521648.db2.gz GKGATORMDADSLE-UHFFFAOYSA-N 1 0 383.452 3.294 20 5 GGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000104673653 1410925390 /nfs/dbraw/zinc/92/53/90/1410925390.db2.gz RQSKBTSDBJDQHU-OAHLLOKOSA-N 1 0 385.468 3.299 20 5 GGBDRO Cc1nc(C[C@H]2CCC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)no1 ZINC000104681815 1410927232 /nfs/dbraw/zinc/92/72/32/1410927232.db2.gz LUEVYBUMCNZWNE-OAHLLOKOSA-N 1 0 397.435 3.438 20 5 GGBDRO Cc1noc([C@@H]2CCC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)n1 ZINC000104675858 1410927733 /nfs/dbraw/zinc/92/77/33/1410927733.db2.gz MYKDDPXYFWZMRL-OAHLLOKOSA-N 1 0 383.408 3.363 20 5 GGBDRO CCn1cnnc1[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104681907 1410928107 /nfs/dbraw/zinc/92/81/07/1410928107.db2.gz MHWGHEKXCSKMSI-INIZCTEOSA-N 1 0 396.451 3.283 20 5 GGBDRO CC[C@@H](N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1nc(C)cs1 ZINC000105407462 1411063510 /nfs/dbraw/zinc/06/35/10/1411063510.db2.gz GVNATDIDIYJBHP-DGCLKSJQSA-N 1 0 378.454 3.436 20 5 GGBDRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000105431434 1411065956 /nfs/dbraw/zinc/06/59/56/1411065956.db2.gz CPYBVNWLDOEDMH-UHFFFAOYSA-N 1 0 397.522 3.019 20 5 GGBDRO CN1CCO[C@@H](C[NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000105471702 1411070077 /nfs/dbraw/zinc/07/00/77/1411070077.db2.gz NXRAGTUWWYOEEE-HNNXBMFYSA-N 1 0 391.855 3.461 20 5 GGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](c2cccc(Cl)c2)N2CCOCC2)c1 ZINC000105486033 1411071316 /nfs/dbraw/zinc/07/13/16/1411071316.db2.gz IKPCVXHJXSZZDH-IBGZPJMESA-N 1 0 375.856 3.411 20 5 GGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](c2cccc(Cl)c2)N2CCOCC2)cc1 ZINC000105486041 1411071536 /nfs/dbraw/zinc/07/15/36/1411071536.db2.gz BHQWUFLSTKLFRG-IBGZPJMESA-N 1 0 375.856 3.411 20 5 GGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000105542632 1411082285 /nfs/dbraw/zinc/08/22/85/1411082285.db2.gz CYFPYVRGHLSJOW-KRWDZBQOSA-N 1 0 382.464 3.130 20 5 GGBDRO CC[NH+]1CCC(N(C)C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)CC1 ZINC000105599759 1411090974 /nfs/dbraw/zinc/09/09/74/1411090974.db2.gz YXRKMWRVNVIYHJ-UHFFFAOYSA-N 1 0 399.495 3.013 20 5 GGBDRO Cc1c(NC(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000105718300 1411111926 /nfs/dbraw/zinc/11/19/26/1411111926.db2.gz MUMHNGRZXANNAG-UHFFFAOYSA-N 1 0 397.479 3.469 20 5 GGBDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)Cc3ccccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000106083666 1411165539 /nfs/dbraw/zinc/16/55/39/1411165539.db2.gz RENZEUBDDDGDCA-IRXDYDNUSA-N 1 0 397.475 3.063 20 5 GGBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000106152455 1411175187 /nfs/dbraw/zinc/17/51/87/1411175187.db2.gz IBKIVPQPSCNRCQ-GOSISDBHSA-N 1 0 382.464 3.178 20 5 GGBDRO CCOc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000106272913 1411188165 /nfs/dbraw/zinc/18/81/65/1411188165.db2.gz IXPOJEGSMZVWPF-SFHVURJKSA-N 1 0 383.448 3.388 20 5 GGBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@H]([NH+](C)C)C3)cc2[N+](=O)[O-])C1 ZINC000106363499 1411207424 /nfs/dbraw/zinc/20/74/24/1411207424.db2.gz OFKVABRJHCSBLD-JZXOWHBKSA-N 1 0 388.512 3.243 20 5 GGBDRO COc1ccc(C[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)cc1[N+](=O)[O-] ZINC000106467660 1411223451 /nfs/dbraw/zinc/22/34/51/1411223451.db2.gz QXPOWQOWSXYDPM-UHFFFAOYSA-N 1 0 395.415 3.416 20 5 GGBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106790153 1411301571 /nfs/dbraw/zinc/30/15/71/1411301571.db2.gz QVJJQDHBYIJDCN-GXTWGEPZSA-N 1 0 381.860 3.149 20 5 GGBDRO C[NH+](C)CCCOc1ccc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000107385080 1411369413 /nfs/dbraw/zinc/36/94/13/1411369413.db2.gz QLKYEKUMVUJGKO-UHFFFAOYSA-N 1 0 386.452 3.290 20 5 GGBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000107600863 1411391137 /nfs/dbraw/zinc/39/11/37/1411391137.db2.gz OVWWAZGYWHAPGN-ZFWWWQNUSA-N 1 0 381.860 3.102 20 5 GGBDRO CC1CCN(c2ccc(C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)cc2[N+](=O)[O-])CC1 ZINC000108305386 1411469428 /nfs/dbraw/zinc/46/94/28/1411469428.db2.gz MLQPKEPOJIDJDC-SFHVURJKSA-N 1 0 386.496 3.045 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000108337278 1411476483 /nfs/dbraw/zinc/47/64/83/1411476483.db2.gz PWYNZIIRZYTUNV-OAHLLOKOSA-N 1 0 399.447 3.467 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000108349981 1411478815 /nfs/dbraw/zinc/47/88/15/1411478815.db2.gz SYKQFODEYBMDAM-GOSISDBHSA-N 1 0 382.464 3.213 20 5 GGBDRO CCCO[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000108396204 1411490616 /nfs/dbraw/zinc/49/06/16/1411490616.db2.gz ZXYHICYVHZSSGD-MRXNPFEDSA-N 1 0 379.457 3.213 20 5 GGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)c1 ZINC000177062762 1428574733 /nfs/dbraw/zinc/57/47/33/1428574733.db2.gz GQSMRSQQPPDRIJ-UHFFFAOYSA-N 1 0 377.441 3.318 20 5 GGBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000108577236 1411543946 /nfs/dbraw/zinc/54/39/46/1411543946.db2.gz LVCWCFYHUZSWIT-UHFFFAOYSA-N 1 0 375.469 3.088 20 5 GGBDRO C[N@H+](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)Cc1ccc(F)cc1 ZINC000177075125 1428578469 /nfs/dbraw/zinc/57/84/69/1428578469.db2.gz HDTHBYZGSXFXIF-UHFFFAOYSA-N 1 0 379.819 3.178 20 5 GGBDRO COc1cc(C[NH2+]CCn2cc(C)cn2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000109075678 1411677848 /nfs/dbraw/zinc/67/78/48/1411677848.db2.gz MURWIHMZTSUEOY-UHFFFAOYSA-N 1 0 396.447 3.477 20 5 GGBDRO COc1cc(C[NH2+]CCn2cc(C)cn2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000109075662 1411678129 /nfs/dbraw/zinc/67/81/29/1411678129.db2.gz ATLDRHDGZXKXOO-UHFFFAOYSA-N 1 0 396.447 3.477 20 5 GGBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C[NH+]1CCCCC1 ZINC000109117105 1411687277 /nfs/dbraw/zinc/68/72/77/1411687277.db2.gz SVHUOTBFJRDFIF-KRWDZBQOSA-N 1 0 388.512 3.437 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000109122489 1411688312 /nfs/dbraw/zinc/68/83/12/1411688312.db2.gz AGZWPIYWXQASKM-INIZCTEOSA-N 1 0 385.468 3.165 20 5 GGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000109124369 1411689555 /nfs/dbraw/zinc/68/95/55/1411689555.db2.gz VUXFYVJJORBDQB-CALCHBBNSA-N 1 0 376.501 3.271 20 5 GGBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000109124370 1411689631 /nfs/dbraw/zinc/68/96/31/1411689631.db2.gz VUXFYVJJORBDQB-IRXDYDNUSA-N 1 0 376.501 3.271 20 5 GGBDRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000109146951 1411694344 /nfs/dbraw/zinc/69/43/44/1411694344.db2.gz JFLNZKSYSSXZLJ-YJYMSZOUSA-N 1 0 382.420 3.009 20 5 GGBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000109312810 1411738543 /nfs/dbraw/zinc/73/85/43/1411738543.db2.gz PVZZPXAOMVYNLY-KRWDZBQOSA-N 1 0 386.427 3.256 20 5 GGBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000109312807 1411738702 /nfs/dbraw/zinc/73/87/02/1411738702.db2.gz PVZZPXAOMVYNLY-QGZVFWFLSA-N 1 0 386.427 3.256 20 5 GGBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000109312740 1411738775 /nfs/dbraw/zinc/73/87/75/1411738775.db2.gz FVELXNLEYLATTJ-IBGZPJMESA-N 1 0 382.464 3.425 20 5 GGBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000109312998 1411739085 /nfs/dbraw/zinc/73/90/85/1411739085.db2.gz HAAMZPSYGNNCQR-GOSISDBHSA-N 1 0 398.463 3.125 20 5 GGBDRO CCCNC(=O)C1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCCCC1 ZINC000177118039 1428592433 /nfs/dbraw/zinc/59/24/33/1428592433.db2.gz POSBXEWROXJBAH-UHFFFAOYSA-N 1 0 390.484 3.051 20 5 GGBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC2CC[NH+](CC3CCCC3)CC2)c1C ZINC000109381716 1411751589 /nfs/dbraw/zinc/75/15/89/1411751589.db2.gz STCKEEBXCMEHKW-UHFFFAOYSA-N 1 0 395.525 3.145 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000109505399 1411776139 /nfs/dbraw/zinc/77/61/39/1411776139.db2.gz XKAGQCNHFBKUPC-LJQANCHMSA-N 1 0 383.448 3.479 20 5 GGBDRO C[NH+](C)CCn1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cn1 ZINC000109537093 1411781338 /nfs/dbraw/zinc/78/13/38/1411781338.db2.gz KXLWPWUXHBSUDM-UHFFFAOYSA-N 1 0 395.419 3.398 20 5 GGBDRO CCCc1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)c1[N+](=O)[O-] ZINC000109692712 1411804449 /nfs/dbraw/zinc/80/44/49/1411804449.db2.gz SDWJHIBBFHSYHY-OAHLLOKOSA-N 1 0 377.489 3.045 20 5 GGBDRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000109740388 1411807132 /nfs/dbraw/zinc/80/71/32/1411807132.db2.gz XRHJJHJGKHHXMI-UHFFFAOYSA-N 1 0 386.427 3.275 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c1 ZINC000109764349 1411808278 /nfs/dbraw/zinc/80/82/78/1411808278.db2.gz XNVVTPNOQCLFNN-KRWDZBQOSA-N 1 0 396.447 3.090 20 5 GGBDRO O=[N+]([O-])c1cc(C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)c2c(c1)COCO2 ZINC000177137018 1428598977 /nfs/dbraw/zinc/59/89/77/1428598977.db2.gz RGPZUCLNGYSPGF-LJQANCHMSA-N 1 0 384.432 3.295 20 5 GGBDRO COC(=O)c1cc(C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)cc([N+](=O)[O-])c1 ZINC000110019681 1411825839 /nfs/dbraw/zinc/82/58/39/1411825839.db2.gz ROMYNIHFXFYQOX-UHFFFAOYSA-N 1 0 399.447 3.152 20 5 GGBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000110252846 1411840644 /nfs/dbraw/zinc/84/06/44/1411840644.db2.gz RUNWAIFCHWSNTI-UHFFFAOYSA-N 1 0 390.827 3.391 20 5 GGBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCCCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000110436956 1411850617 /nfs/dbraw/zinc/85/06/17/1411850617.db2.gz WEWYTJAADLYFMI-UHFFFAOYSA-N 1 0 378.429 3.197 20 5 GGBDRO C[NH+](C)CCCOc1cccc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c1 ZINC000110489695 1411852648 /nfs/dbraw/zinc/85/26/48/1411852648.db2.gz WFVOGCYOZKWETH-UHFFFAOYSA-N 1 0 379.363 3.456 20 5 GGBDRO Cc1c(CO)cc([N+](=O)[O-])c(NCCCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000110599676 1411859588 /nfs/dbraw/zinc/85/95/88/1411859588.db2.gz XOPYVQRKXSISPE-UHFFFAOYSA-N 1 0 380.445 3.372 20 5 GGBDRO CC[N@@H+]1CCCN(C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000110815355 1411871718 /nfs/dbraw/zinc/87/17/18/1411871718.db2.gz HKPAWPVZGZQRCC-IRXDYDNUSA-N 1 0 388.512 3.245 20 5 GGBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000110995788 1411881328 /nfs/dbraw/zinc/88/13/28/1411881328.db2.gz XQIPEBQDWKDXCO-IBGZPJMESA-N 1 0 399.495 3.061 20 5 GGBDRO Cc1ccc(S(=O)(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000111050185 1411884503 /nfs/dbraw/zinc/88/45/03/1411884503.db2.gz JIGDYQOFLLPGOQ-HNNXBMFYSA-N 1 0 391.493 3.311 20 5 GGBDRO CC[NH+](CC)[C@@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000111071029 1411885932 /nfs/dbraw/zinc/88/59/32/1411885932.db2.gz QJXRJDVFVGGLQV-OAQYLSRUSA-N 1 0 396.491 3.327 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@H]3[C@H](O)C(F)(F)F)o2)c1 ZINC000111232035 1411896750 /nfs/dbraw/zinc/89/67/50/1411896750.db2.gz XCQZHQLCXKRQDV-BBRMVZONSA-N 1 0 385.342 3.180 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000111307956 1411906208 /nfs/dbraw/zinc/90/62/08/1411906208.db2.gz LCERUYYOYFZQSO-MRXNPFEDSA-N 1 0 393.447 3.351 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])cc1CNCC1([NH+]2CCCCC2)CCOCC1 ZINC000111403386 1411943643 /nfs/dbraw/zinc/94/36/43/1411943643.db2.gz CXZIMIVGVIOCMG-UHFFFAOYSA-N 1 0 377.485 3.118 20 5 GGBDRO CCC(CC)(CNC(=O)Cn1cc([N+](=O)[O-])nc1C)[NH2+][C@H](C)c1ccccc1 ZINC000111634779 1412003716 /nfs/dbraw/zinc/00/37/16/1412003716.db2.gz ICUZBEIBLOUCPD-OAHLLOKOSA-N 1 0 387.484 3.126 20 5 GGBDRO CC[N@H+](C)Cc1cccc(CNc2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])c1 ZINC000112076225 1412073944 /nfs/dbraw/zinc/07/39/44/1412073944.db2.gz SSSAACOIBVGOPT-UHFFFAOYSA-N 1 0 388.424 3.368 20 5 GGBDRO CC(C)C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](O)c1ccc(F)cc1 ZINC000112656147 1412187639 /nfs/dbraw/zinc/18/76/39/1412187639.db2.gz SZRHOTKDNPLBMK-LJQANCHMSA-N 1 0 389.427 3.364 20 5 GGBDRO O=C(CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccc(Cl)cc1 ZINC000112656237 1412187784 /nfs/dbraw/zinc/18/77/84/1412187784.db2.gz JHJPZXVMZISNIW-OAHLLOKOSA-N 1 0 389.843 3.158 20 5 GGBDRO CCN(C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1)CC(F)(F)F ZINC000177208521 1428632731 /nfs/dbraw/zinc/63/27/31/1428632731.db2.gz DGASGCDDTNQREV-GFCCVEGCSA-N 1 0 386.374 3.442 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)c1 ZINC000112821343 1412221960 /nfs/dbraw/zinc/22/19/60/1412221960.db2.gz XOQBKIVDBPVDMD-UHFFFAOYSA-N 1 0 393.390 3.086 20 5 GGBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000112918676 1412239921 /nfs/dbraw/zinc/23/99/21/1412239921.db2.gz WGVIXZKNWOWDSY-UHFFFAOYSA-N 1 0 399.495 3.365 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC[C@H]3COc3ccccc3)n2)cc1 ZINC000112959716 1412246587 /nfs/dbraw/zinc/24/65/87/1412246587.db2.gz UQQAQXKFGNEICH-SFHVURJKSA-N 1 0 379.420 3.354 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000112967284 1412247921 /nfs/dbraw/zinc/24/79/21/1412247921.db2.gz DUITYJDCHGRWMG-OAHLLOKOSA-N 1 0 380.448 3.190 20 5 GGBDRO COc1ccc([C@@H](CO)[N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000112996734 1412252579 /nfs/dbraw/zinc/25/25/79/1412252579.db2.gz JHYGYYXLRVNBOO-LJQANCHMSA-N 1 0 397.431 3.466 20 5 GGBDRO COc1ccc(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000113092713 1412260945 /nfs/dbraw/zinc/26/09/45/1412260945.db2.gz HZWGPXGOCNTQQY-UHFFFAOYSA-N 1 0 383.448 3.340 20 5 GGBDRO CCC(CC)(CNC(=O)c1c([N+](=O)[O-])c(C)nn1C)[NH2+][C@H](C)c1ccccc1 ZINC000113189836 1412272006 /nfs/dbraw/zinc/27/20/06/1412272006.db2.gz AKURWJKEXCOVGL-CQSZACIVSA-N 1 0 387.484 3.276 20 5 GGBDRO C[C@H]([NH2+]C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCOCC1)c1ccccc1 ZINC000113235296 1412279855 /nfs/dbraw/zinc/27/98/55/1412279855.db2.gz NHIKBFDPCZFLPJ-KRWDZBQOSA-N 1 0 397.475 3.154 20 5 GGBDRO C[C@@H]([NH2+]C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCOCC1)c1ccccc1 ZINC000113235298 1412279986 /nfs/dbraw/zinc/27/99/86/1412279986.db2.gz NHIKBFDPCZFLPJ-QGZVFWFLSA-N 1 0 397.475 3.154 20 5 GGBDRO COCCC[NH+]1CCC(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000113333508 1412294415 /nfs/dbraw/zinc/29/44/15/1412294415.db2.gz HFZOFZVKTMDSRP-UHFFFAOYSA-N 1 0 390.509 3.309 20 5 GGBDRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000113349321 1412296040 /nfs/dbraw/zinc/29/60/40/1412296040.db2.gz AWIBESJGBCYBKS-OAHLLOKOSA-N 1 0 391.493 3.276 20 5 GGBDRO C[C@H]([NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(NC(N)=O)cc1 ZINC000113351618 1412296538 /nfs/dbraw/zinc/29/65/38/1412296538.db2.gz DJALDRQAAIGCKC-ZDUSSCGKSA-N 1 0 394.435 3.337 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000113899667 1412347124 /nfs/dbraw/zinc/34/71/24/1412347124.db2.gz AVWKEWIMWUMHSG-SJORKVTESA-N 1 0 388.512 3.387 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000113901660 1412348561 /nfs/dbraw/zinc/34/85/61/1412348561.db2.gz QCAUOWXASGANPT-CABCVRRESA-N 1 0 385.468 3.198 20 5 GGBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000113945209 1412357204 /nfs/dbraw/zinc/35/72/04/1412357204.db2.gz VPGBXAJKINVUGO-DLBZAZTESA-N 1 0 395.525 3.178 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000113945158 1412357284 /nfs/dbraw/zinc/35/72/84/1412357284.db2.gz VAUWTQAKKSXKNN-DLBZAZTESA-N 1 0 395.525 3.178 20 5 GGBDRO Cc1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C[NH+](C)C)c1 ZINC000114054102 1412377776 /nfs/dbraw/zinc/37/77/76/1412377776.db2.gz HBKJTSWJHTYCMP-UHFFFAOYSA-N 1 0 383.857 3.419 20 5 GGBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000177242063 1428646804 /nfs/dbraw/zinc/64/68/04/1428646804.db2.gz AFWGNYJEHDOILV-UHFFFAOYSA-N 1 0 397.479 3.307 20 5 GGBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@H](C[NH+](C)C)C3)cc2[N+](=O)[O-])C1 ZINC000114399958 1412427174 /nfs/dbraw/zinc/42/71/74/1412427174.db2.gz PQCOJQZHPQAKQO-BRWVUGGUSA-N 1 0 388.512 3.101 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000114468871 1412439970 /nfs/dbraw/zinc/43/99/70/1412439970.db2.gz ZOGMFOPDAKKDRV-HXUWFJFHSA-N 1 0 383.448 3.214 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480910 1412442033 /nfs/dbraw/zinc/44/20/33/1412442033.db2.gz AWRPALKQTKTGDN-UHFFFAOYSA-N 1 0 396.491 3.438 20 5 GGBDRO C[C@](O)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(F)cc1F ZINC000114509429 1412448107 /nfs/dbraw/zinc/44/81/07/1412448107.db2.gz FBODLTFISAPRRR-KRWDZBQOSA-N 1 0 388.317 3.472 20 5 GGBDRO CCOc1ccccc1C[N@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000114725059 1412511554 /nfs/dbraw/zinc/51/15/54/1412511554.db2.gz WXNOTSGMLQXLNR-UHFFFAOYSA-N 1 0 387.436 3.463 20 5 GGBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177265930 1428662017 /nfs/dbraw/zinc/66/20/17/1428662017.db2.gz NXCFMEKHEQTDCW-UHFFFAOYSA-N 1 0 379.432 3.026 20 5 GGBDRO CC1CCC([NH+]2CCN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)CC2)CC1 ZINC000115255744 1412622549 /nfs/dbraw/zinc/62/25/49/1412622549.db2.gz JLOYGDZONOMMTJ-UHFFFAOYSA-N 1 0 397.479 3.117 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000115275069 1412630275 /nfs/dbraw/zinc/63/02/75/1412630275.db2.gz JLFBYTMWEZCTKB-HIFRSBDPSA-N 1 0 383.876 3.115 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H](C)C1 ZINC000115275369 1412631907 /nfs/dbraw/zinc/63/19/07/1412631907.db2.gz VSZBXVLYUKIAFS-DYVFJYSZSA-N 1 0 383.876 3.115 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000115487271 1412690421 /nfs/dbraw/zinc/69/04/21/1412690421.db2.gz CWIFBTIQEPDIBV-CJNGLKHVSA-N 1 0 383.876 3.115 20 5 GGBDRO C[N@H+](CCCO)C1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000115519740 1412700418 /nfs/dbraw/zinc/70/04/18/1412700418.db2.gz MCWOFYLKUYCASP-UHFFFAOYSA-N 1 0 397.475 3.109 20 5 GGBDRO CCOc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)cc1[N+](=O)[O-] ZINC000115671930 1412756399 /nfs/dbraw/zinc/75/63/99/1412756399.db2.gz DGNVDAKBIWCGLE-UHFFFAOYSA-N 1 0 375.425 3.099 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000115748718 1412777090 /nfs/dbraw/zinc/77/70/90/1412777090.db2.gz BUSUTIIVDSCJPW-ZBFHGGJFSA-N 1 0 378.473 3.162 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000115858336 1412803177 /nfs/dbraw/zinc/80/31/77/1412803177.db2.gz LWENOKRVPBCSOI-MRXNPFEDSA-N 1 0 375.450 3.232 20 5 GGBDRO C[C@@H]1CCC[C@@](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)([NH+](C)C)C1 ZINC000115916230 1412814938 /nfs/dbraw/zinc/81/49/38/1412814938.db2.gz QPICDCLWWPJAGS-OXQOHEQNSA-N 1 0 376.501 3.414 20 5 GGBDRO Cc1nn(CCC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c(C)c1[N+](=O)[O-] ZINC000116064833 1412827057 /nfs/dbraw/zinc/82/70/57/1412827057.db2.gz JDXYQVFCFYTSDQ-INIZCTEOSA-N 1 0 399.495 3.140 20 5 GGBDRO C[NH+](C)CC[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(C)(C)C ZINC000116126680 1412834223 /nfs/dbraw/zinc/83/42/23/1412834223.db2.gz VXAKGYBTQHNESG-LJQANCHMSA-N 1 0 390.528 3.294 20 5 GGBDRO CCOc1cc(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000116129878 1412834668 /nfs/dbraw/zinc/83/46/68/1412834668.db2.gz RFXDAQVAXGUNRP-KRWDZBQOSA-N 1 0 381.473 3.098 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1SC ZINC000116130909 1412834687 /nfs/dbraw/zinc/83/46/87/1412834687.db2.gz IUIOKRGBTIXURO-MRXNPFEDSA-N 1 0 383.514 3.422 20 5 GGBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000116139700 1412835805 /nfs/dbraw/zinc/83/58/05/1412835805.db2.gz GGJSVHTWCXCTJQ-UHFFFAOYSA-N 1 0 386.496 3.286 20 5 GGBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000116273919 1412847110 /nfs/dbraw/zinc/84/71/10/1412847110.db2.gz JJGBNUDJEFYXDF-UHFFFAOYSA-N 1 0 395.809 3.335 20 5 GGBDRO C[C@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000116358451 1412852402 /nfs/dbraw/zinc/85/24/02/1412852402.db2.gz WEYRYQMOLJXXKB-OAHLLOKOSA-N 1 0 389.477 3.099 20 5 GGBDRO CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000116363547 1412852813 /nfs/dbraw/zinc/85/28/13/1412852813.db2.gz YVLDCJCQUMXRHF-SJLPKXTDSA-N 1 0 399.495 3.168 20 5 GGBDRO CC(C)NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000116363549 1412852896 /nfs/dbraw/zinc/85/28/96/1412852896.db2.gz YVLDCJCQUMXRHF-FUHWJXTLSA-N 1 0 399.495 3.168 20 5 GGBDRO COc1ccc(NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)c([N+](=O)[O-])c1 ZINC000116543772 1412874905 /nfs/dbraw/zinc/87/49/05/1412874905.db2.gz WFHGMYPYXPFHPK-UHFFFAOYSA-N 1 0 387.461 3.405 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000116715806 1412902407 /nfs/dbraw/zinc/90/24/07/1412902407.db2.gz PMABJGRTMIXHKJ-CQSZACIVSA-N 1 0 397.884 3.498 20 5 GGBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000116754566 1412916437 /nfs/dbraw/zinc/91/64/37/1412916437.db2.gz RPEVBQNAZDDQAA-AWEZNQCLSA-N 1 0 381.860 3.150 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000116816471 1412928809 /nfs/dbraw/zinc/92/88/09/1412928809.db2.gz OFWUPIUGZHEIGJ-UHFFFAOYSA-N 1 0 393.827 3.450 20 5 GGBDRO C[NH+](C)CCOc1ccc(NC(=O)CNc2ccccc2[N+](=O)[O-])cc1Cl ZINC000116816297 1412928894 /nfs/dbraw/zinc/92/88/94/1412928894.db2.gz VDSBPLXRSCSMSZ-UHFFFAOYSA-N 1 0 392.843 3.239 20 5 GGBDRO COc1ccc(CSCC(=O)N(C)C2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000116876997 1412947098 /nfs/dbraw/zinc/94/70/98/1412947098.db2.gz MHDATCYENOHPDE-UHFFFAOYSA-N 1 0 395.525 3.168 20 5 GGBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CCOc1ccc(F)cc1 ZINC000117334247 1413026312 /nfs/dbraw/zinc/02/63/12/1413026312.db2.gz IJGOGVAJHQJZPY-UHFFFAOYSA-N 1 0 389.383 3.043 20 5 GGBDRO CC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)Cc1ccc(OC)cc1 ZINC000117335876 1413026491 /nfs/dbraw/zinc/02/64/91/1413026491.db2.gz UNWIZOCWKKBRQR-UHFFFAOYSA-N 1 0 385.420 3.424 20 5 GGBDRO Cc1cccc(N2CC[NH+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC2)c1 ZINC000117334332 1413026883 /nfs/dbraw/zinc/02/68/83/1413026883.db2.gz VBHAAOOWNKLNSO-UHFFFAOYSA-N 1 0 396.447 3.023 20 5 GGBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCc2ccccc2C1 ZINC000117341979 1413027180 /nfs/dbraw/zinc/02/71/80/1413027180.db2.gz OIYSCKKDAVRBPS-KRWDZBQOSA-N 1 0 381.432 3.382 20 5 GGBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000117338359 1413027334 /nfs/dbraw/zinc/02/73/34/1413027334.db2.gz PODDFJXZOJZRLA-INIZCTEOSA-N 1 0 382.420 3.079 20 5 GGBDRO COc1ccc([C@@H]2CC[N@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)cc1 ZINC000117337676 1413027483 /nfs/dbraw/zinc/02/74/83/1413027483.db2.gz YQFQZLCWBSIKBH-MRXNPFEDSA-N 1 0 397.431 3.391 20 5 GGBDRO COc1ccc([C@H]2CC[N@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)cc1 ZINC000117337679 1413027713 /nfs/dbraw/zinc/02/77/13/1413027713.db2.gz YQFQZLCWBSIKBH-INIZCTEOSA-N 1 0 397.431 3.391 20 5 GGBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@H]1COc1ccccc1 ZINC000117341645 1413027756 /nfs/dbraw/zinc/02/77/56/1413027756.db2.gz AKTZFWVZHXOGHN-KRWDZBQOSA-N 1 0 397.431 3.436 20 5 GGBDRO COc1ccc(CCC[N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)cc1 ZINC000117336378 1413028091 /nfs/dbraw/zinc/02/80/91/1413028091.db2.gz JDNBTFNDJQJJSS-UHFFFAOYSA-N 1 0 399.447 3.466 20 5 GGBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000177334498 1428695885 /nfs/dbraw/zinc/69/58/85/1428695885.db2.gz OZCPEBZLTXHTQT-UHFFFAOYSA-N 1 0 379.420 3.403 20 5 GGBDRO C[NH+]1CCN(c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)cc2)CC1 ZINC000117578186 1413053539 /nfs/dbraw/zinc/05/35/39/1413053539.db2.gz KEGPTIYTBHTGQD-UHFFFAOYSA-N 1 0 388.855 3.181 20 5 GGBDRO COc1cccc([C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[NH+](C)C)c1 ZINC000117746644 1413074328 /nfs/dbraw/zinc/07/43/28/1413074328.db2.gz USXWNVOLBOTVKG-SFHVURJKSA-N 1 0 391.855 3.218 20 5 GGBDRO C[NH+](C)CCOc1ccccc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117772895 1413077403 /nfs/dbraw/zinc/07/74/03/1413077403.db2.gz WSWFCQKEAKBFFW-UHFFFAOYSA-N 1 0 391.855 3.048 20 5 GGBDRO C[C@@]([NH2+]CCc1ccc([N+](=O)[O-])cc1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000177374565 1428709251 /nfs/dbraw/zinc/70/92/51/1428709251.db2.gz LNMAXEWUVWFSJI-KRWDZBQOSA-N 1 0 381.354 3.146 20 5 GGBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](OCCC(C)C)C2)c([N+](=O)[O-])c1 ZINC000177375369 1428709740 /nfs/dbraw/zinc/70/97/40/1428709740.db2.gz LXWCLHMPQDSEOL-MRXNPFEDSA-N 1 0 379.457 3.069 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000177375076 1428710029 /nfs/dbraw/zinc/71/00/29/1428710029.db2.gz RUKYBMNPNWBSDT-MRXNPFEDSA-N 1 0 379.457 3.069 20 5 GGBDRO CC1CC[NH+](C[C@H]2CCCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000118832852 1413236522 /nfs/dbraw/zinc/23/65/22/1413236522.db2.gz YMJNVKLNFYRLFM-SFHVURJKSA-N 1 0 388.512 3.367 20 5 GGBDRO O=C(CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1cccc(Cl)c1 ZINC000118866180 1413253190 /nfs/dbraw/zinc/25/31/90/1413253190.db2.gz YKSAMOPHIWWERJ-OAHLLOKOSA-N 1 0 389.843 3.158 20 5 GGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(CC[NH+](C)C)CC1 ZINC000118868179 1413254826 /nfs/dbraw/zinc/25/48/26/1413254826.db2.gz ZAIFHVWHFKOVKV-CYBMUJFWSA-N 1 0 382.892 3.239 20 5 GGBDRO Cc1ccc([C@@H](C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])N2CCOCC2)o1 ZINC000119014737 1413304280 /nfs/dbraw/zinc/30/42/80/1413304280.db2.gz MAHALKFENIJDNK-OXJNMPFZSA-N 1 0 387.480 3.480 20 5 GGBDRO Cc1ccc([C@@H](C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])N2CCOCC2)o1 ZINC000119014984 1413304788 /nfs/dbraw/zinc/30/47/88/1413304788.db2.gz MAHALKFENIJDNK-OXQOHEQNSA-N 1 0 387.480 3.480 20 5 GGBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)[C@H]1CCC[N@H+](C)C1 ZINC000119129076 1413348635 /nfs/dbraw/zinc/34/86/35/1413348635.db2.gz JBMITMANDOURHT-SFHVURJKSA-N 1 0 382.464 3.373 20 5 GGBDRO Cc1ccc([C@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[NH+](C)C)cc1 ZINC000119234080 1413383958 /nfs/dbraw/zinc/38/39/58/1413383958.db2.gz CDYCXOPFCGOQLN-FQEVSTJZSA-N 1 0 380.448 3.346 20 5 GGBDRO CC[NH+](CC)[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccco1 ZINC000119259932 1413392081 /nfs/dbraw/zinc/39/20/81/1413392081.db2.gz XXJMNLFRFNDWOO-SFHVURJKSA-N 1 0 384.436 3.411 20 5 GGBDRO COC(=O)[C@H](C)[C@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000177417451 1428727780 /nfs/dbraw/zinc/72/77/80/1428727780.db2.gz CMTKRWNASNPDIJ-QRWLVFNGSA-N 1 0 399.447 3.372 20 5 GGBDRO COC(=O)[C@@H](C)[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000177418724 1428728400 /nfs/dbraw/zinc/72/84/00/1428728400.db2.gz RPXAQBJTWGUIGZ-YWZLYKJASA-N 1 0 399.447 3.372 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CCN(CC[NH+]4CCCC4)CC3)o2)cc1 ZINC000119517081 1413472759 /nfs/dbraw/zinc/47/27/59/1413472759.db2.gz SIJNFBZBWJUBRO-UHFFFAOYSA-N 1 0 384.480 3.068 20 5 GGBDRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000177421656 1428729968 /nfs/dbraw/zinc/72/99/68/1428729968.db2.gz UDSRZNRFOQOWQB-UHFFFAOYSA-N 1 0 386.496 3.332 20 5 GGBDRO Cc1ccc(NC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000119666855 1413522853 /nfs/dbraw/zinc/52/28/53/1413522853.db2.gz IFIJTWPGALYVDL-UHFFFAOYSA-N 1 0 390.484 3.260 20 5 GGBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000119672587 1413525700 /nfs/dbraw/zinc/52/57/00/1413525700.db2.gz JRANZYILRJGPFW-KRWDZBQOSA-N 1 0 388.512 3.293 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000119721214 1413544919 /nfs/dbraw/zinc/54/49/19/1413544919.db2.gz UXHTVCADABFCAC-SJCJKPOMSA-N 1 0 375.375 3.123 20 5 GGBDRO COc1cc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000119724222 1413545554 /nfs/dbraw/zinc/54/55/54/1413545554.db2.gz FFWYXAOLAKZIPB-LJQANCHMSA-N 1 0 383.448 3.479 20 5 GGBDRO Cc1c(NC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000119738850 1413550703 /nfs/dbraw/zinc/55/07/03/1413550703.db2.gz BBUWSYSBMRFKTN-UHFFFAOYSA-N 1 0 390.484 3.260 20 5 GGBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000177442014 1428738361 /nfs/dbraw/zinc/73/83/61/1428738361.db2.gz RSBKJASNMCZJID-IAGOWNOFSA-N 1 0 377.488 3.144 20 5 GGBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000119885120 1413604550 /nfs/dbraw/zinc/60/45/50/1413604550.db2.gz PNKVNTFCSOQANS-UHFFFAOYSA-N 1 0 380.448 3.209 20 5 GGBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+][C@H]2CCS(=O)(=O)C2)cc1 ZINC000119890835 1413606781 /nfs/dbraw/zinc/60/67/81/1413606781.db2.gz TZWLPRDLZLIBGL-AWEZNQCLSA-N 1 0 396.852 3.317 20 5 GGBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000119921047 1413617581 /nfs/dbraw/zinc/61/75/81/1413617581.db2.gz GAHYGCZMXGGEKI-UHFFFAOYSA-N 1 0 377.510 3.005 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000119941647 1413625324 /nfs/dbraw/zinc/62/53/24/1413625324.db2.gz LGYYYXNCDQSWFV-PXAZEXFGSA-N 1 0 375.375 3.123 20 5 GGBDRO CSCC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1nnc2ccccn21 ZINC000119944558 1413627305 /nfs/dbraw/zinc/62/73/05/1413627305.db2.gz MVHUXJDAVKRKRR-MRXNPFEDSA-N 1 0 387.465 3.100 20 5 GGBDRO COCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)CC1 ZINC000119995313 1413646184 /nfs/dbraw/zinc/64/61/84/1413646184.db2.gz HYLJWPHNKHGRNB-UHFFFAOYSA-N 1 0 395.525 3.184 20 5 GGBDRO Cc1c(C(=O)NC2CC[NH+](C3CCCC3)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000177457971 1428744301 /nfs/dbraw/zinc/74/43/01/1428744301.db2.gz FILXNJWALXPFRD-UHFFFAOYSA-N 1 0 390.440 3.257 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)[C@H](C)C1 ZINC000120198332 1413727987 /nfs/dbraw/zinc/72/79/87/1413727987.db2.gz KFTZXCWGWVRGOO-SJORKVTESA-N 1 0 392.500 3.470 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000120216325 1413734970 /nfs/dbraw/zinc/73/49/70/1413734970.db2.gz YPUDTHSPISZZNK-SFHVURJKSA-N 1 0 388.512 3.286 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H](CC(C)C)N1CCOCC1 ZINC000120242800 1413748040 /nfs/dbraw/zinc/74/80/40/1413748040.db2.gz ZBRJSLUOQUXWGP-INIZCTEOSA-N 1 0 378.473 3.080 20 5 GGBDRO C[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)CN1CCOCC1 ZINC000120249627 1413751712 /nfs/dbraw/zinc/75/17/12/1413751712.db2.gz SNKJEARMGHXQFL-HNNXBMFYSA-N 1 0 375.494 3.381 20 5 GGBDRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000120313798 1413780238 /nfs/dbraw/zinc/78/02/38/1413780238.db2.gz SLYMMQWODFOHEG-UHFFFAOYSA-N 1 0 389.543 3.179 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000120359092 1413801770 /nfs/dbraw/zinc/80/17/70/1413801770.db2.gz IEPAXZFVVWJMPU-GOSISDBHSA-N 1 0 398.463 3.100 20 5 GGBDRO Cc1c(CC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000120394663 1413808852 /nfs/dbraw/zinc/80/88/52/1413808852.db2.gz ZLYADOKNYKURCC-UHFFFAOYSA-N 1 0 385.464 3.093 20 5 GGBDRO Cc1c(CC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000120416679 1413813026 /nfs/dbraw/zinc/81/30/26/1413813026.db2.gz ODFYRNLKQIACCT-IBGZPJMESA-N 1 0 381.476 3.127 20 5 GGBDRO C[C@@H]1C[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000177475828 1428758232 /nfs/dbraw/zinc/75/82/32/1428758232.db2.gz MHKXQAQDILHDJO-SJLPKXTDSA-N 1 0 382.464 3.176 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ncn(CN3CCC[N@H+](CC4CCCCC4)CC3)n2)cc1 ZINC000120517675 1413834924 /nfs/dbraw/zinc/83/49/24/1413834924.db2.gz NDJUHCLZPJWCGG-UHFFFAOYSA-N 1 0 398.511 3.399 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CCN(c4ccccn4)C3)cs2)c1 ZINC000120524773 1413835474 /nfs/dbraw/zinc/83/54/74/1413835474.db2.gz IVPNRHSVPPKURM-OAHLLOKOSA-N 1 0 381.461 3.482 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)NCC3CC[NH2+]CC3)cc2[N+](=O)[O-])n1 ZINC000120536378 1413838760 /nfs/dbraw/zinc/83/87/60/1413838760.db2.gz SBIFNLOPTFENGK-UHFFFAOYSA-N 1 0 392.506 3.240 20 5 GGBDRO C[C@@H]1C[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1Cc1ccccc1 ZINC000177479028 1428759649 /nfs/dbraw/zinc/75/96/49/1428759649.db2.gz BYONJOYVAZFEIH-ZBFHGGJFSA-N 1 0 393.447 3.254 20 5 GGBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000177478755 1428759845 /nfs/dbraw/zinc/75/98/45/1428759845.db2.gz NPOLVYNFTFWFEB-GDBMZVCRSA-N 1 0 385.468 3.053 20 5 GGBDRO CCO[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1(C)C ZINC000120603557 1413853084 /nfs/dbraw/zinc/85/30/84/1413853084.db2.gz PRWZLCQXPFKMNJ-SJORKVTESA-N 1 0 379.457 3.067 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)c1 ZINC000120625837 1413858704 /nfs/dbraw/zinc/85/87/04/1413858704.db2.gz ALLFLCNMIHXJPD-KRWDZBQOSA-N 1 0 396.447 3.090 20 5 GGBDRO CCO[C@@H]1C[C@H]([N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1(C)C ZINC000120650238 1413865729 /nfs/dbraw/zinc/86/57/29/1413865729.db2.gz COUBKAAXAZGODU-DLBZAZTESA-N 1 0 377.441 3.028 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c1 ZINC000120717659 1413883789 /nfs/dbraw/zinc/88/37/89/1413883789.db2.gz SDXBKAULVYQLBC-UHFFFAOYSA-N 1 0 383.448 3.360 20 5 GGBDRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000120822187 1413915295 /nfs/dbraw/zinc/91/52/95/1413915295.db2.gz JTJHVOSXXRCVIZ-HNNXBMFYSA-N 1 0 391.493 3.273 20 5 GGBDRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000120822326 1413915460 /nfs/dbraw/zinc/91/54/60/1413915460.db2.gz JTJHVOSXXRCVIZ-OAHLLOKOSA-N 1 0 391.493 3.273 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3CCS(=O)(=O)CC3)o2)c(Cl)c1 ZINC000120848378 1413925351 /nfs/dbraw/zinc/92/53/51/1413925351.db2.gz NDSHVSXJDHKQFI-UHFFFAOYSA-N 1 0 398.868 3.423 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000120996369 1413971374 /nfs/dbraw/zinc/97/13/74/1413971374.db2.gz YFSBWVOFGJDQTC-SFHVURJKSA-N 1 0 396.491 3.154 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000121026961 1413981064 /nfs/dbraw/zinc/98/10/64/1413981064.db2.gz QHGLFXLKPRDAJS-QGZVFWFLSA-N 1 0 382.464 3.130 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1cccc(F)c1 ZINC000121036595 1413985061 /nfs/dbraw/zinc/98/50/61/1413985061.db2.gz DBVSDQCWTMJXCQ-SFHVURJKSA-N 1 0 382.395 3.315 20 5 GGBDRO Cc1nn(CN2CC[NH+](CCc3ccccc3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121073217 1413997110 /nfs/dbraw/zinc/99/71/10/1413997110.db2.gz YMBBJTMDMMQGFO-UHFFFAOYSA-N 1 0 379.464 3.071 20 5 GGBDRO COc1cccc([C@H](CNC(=O)c2cccc(C)c2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000121139267 1414021732 /nfs/dbraw/zinc/02/17/32/1414021732.db2.gz WMKYYNMBNVCSDC-IBGZPJMESA-N 1 0 383.448 3.479 20 5 GGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000121175820 1414033941 /nfs/dbraw/zinc/03/39/41/1414033941.db2.gz HASDUEPHVYDJEK-MAUKXSAKSA-N 1 0 386.452 3.332 20 5 GGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000177532828 1428783931 /nfs/dbraw/zinc/78/39/31/1428783931.db2.gz KURCYJMWYBQYQJ-LBPRGKRZSA-N 1 0 386.399 3.392 20 5 GGBDRO Cc1ccc(NCCCNC(=O)N2CCC(CC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000121394286 1414106145 /nfs/dbraw/zinc/10/61/45/1414106145.db2.gz FSKQEMSRDUZPGH-UHFFFAOYSA-N 1 0 391.516 3.079 20 5 GGBDRO O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000121416834 1414114866 /nfs/dbraw/zinc/11/48/66/1414114866.db2.gz JDJBXSRMLYRSPP-UHFFFAOYSA-N 1 0 397.500 3.342 20 5 GGBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000177532937 1428784065 /nfs/dbraw/zinc/78/40/65/1428784065.db2.gz BHJJZOOFWVRKLV-LBPRGKRZSA-N 1 0 384.383 3.146 20 5 GGBDRO C[NH2+]CCCNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000121673293 1414219145 /nfs/dbraw/zinc/21/91/45/1414219145.db2.gz JAARVXQSJRYHGJ-UHFFFAOYSA-N 1 0 393.827 3.388 20 5 GGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)c1 ZINC000121860371 1414281823 /nfs/dbraw/zinc/28/18/23/1414281823.db2.gz ABRKQPKNCKAECD-UHFFFAOYSA-N 1 0 377.441 3.447 20 5 GGBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000121922892 1414309025 /nfs/dbraw/zinc/30/90/25/1414309025.db2.gz RLEAVBSNYIMCSX-UHFFFAOYSA-N 1 0 392.459 3.399 20 5 GGBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000121964653 1414325404 /nfs/dbraw/zinc/32/54/04/1414325404.db2.gz LZLZARCDFMGMOB-BXUZGUMPSA-N 1 0 388.390 3.144 20 5 GGBDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)COc3cccc([N+](=O)[O-])c3)c2)CC1 ZINC000122249479 1414401090 /nfs/dbraw/zinc/40/10/90/1414401090.db2.gz NNFINGOYJKALIU-UHFFFAOYSA-N 1 0 398.463 3.143 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000122274847 1414408311 /nfs/dbraw/zinc/40/83/11/1414408311.db2.gz HTXIDUYQVRBRTF-UHFFFAOYSA-N 1 0 395.525 3.185 20 5 GGBDRO COc1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1OC(F)F ZINC000122283807 1414411449 /nfs/dbraw/zinc/41/14/49/1414411449.db2.gz CLNPHSBEDIJNCS-CYBMUJFWSA-N 1 0 394.378 3.286 20 5 GGBDRO Cc1cc(NC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000122370214 1414437998 /nfs/dbraw/zinc/43/79/98/1414437998.db2.gz RRQJRUDEMOBZJQ-UHFFFAOYSA-N 1 0 390.484 3.260 20 5 GGBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000122531950 1414492085 /nfs/dbraw/zinc/49/20/85/1414492085.db2.gz YJFKJDRXZQHNCE-QGZVFWFLSA-N 1 0 398.419 3.378 20 5 GGBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[N@@H+]1CCc2ccccc2C1 ZINC000122556385 1414499448 /nfs/dbraw/zinc/49/94/48/1414499448.db2.gz ZQHUFEJRDOJLQV-OAHLLOKOSA-N 1 0 390.443 3.320 20 5 GGBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000122557100 1414499890 /nfs/dbraw/zinc/49/98/90/1414499890.db2.gz NGGYMEYTKJTYRU-IAGOWNOFSA-N 1 0 396.491 3.280 20 5 GGBDRO C[NH+](C)CCOc1ccccc1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000122745947 1414555397 /nfs/dbraw/zinc/55/53/97/1414555397.db2.gz MLFNCMWZYCNSKJ-UHFFFAOYSA-N 1 0 398.463 3.040 20 5 GGBDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000122757078 1414557780 /nfs/dbraw/zinc/55/77/80/1414557780.db2.gz JIKAVRQHRHPPID-UHFFFAOYSA-N 1 0 390.443 3.321 20 5 GGBDRO CCN(C[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1)CC(F)(F)F ZINC000177636666 1428818295 /nfs/dbraw/zinc/81/82/95/1428818295.db2.gz CDAHSHQZFIIBIK-CYBMUJFWSA-N 1 0 385.390 3.108 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000122820408 1414573117 /nfs/dbraw/zinc/57/31/17/1414573117.db2.gz PWSBQJUNCDJBNL-CQSZACIVSA-N 1 0 399.451 3.346 20 5 GGBDRO C[C@@H](CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000122840099 1414578188 /nfs/dbraw/zinc/57/81/88/1414578188.db2.gz KAAOJTAYMAMJAR-HNNXBMFYSA-N 1 0 391.493 3.321 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000122878261 1414587138 /nfs/dbraw/zinc/58/71/38/1414587138.db2.gz PEOVIDNJEFEESN-UHFFFAOYSA-N 1 0 376.388 3.126 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000123089509 1414638588 /nfs/dbraw/zinc/63/85/88/1414638588.db2.gz HHDDBHKCMLYTBG-INIZCTEOSA-N 1 0 388.424 3.463 20 5 GGBDRO Cc1sc(S(=O)(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000123110789 1414644375 /nfs/dbraw/zinc/64/43/75/1414644375.db2.gz VIOJSIRMEBGAJG-UHFFFAOYSA-N 1 0 397.522 3.283 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000123185108 1414663208 /nfs/dbraw/zinc/66/32/08/1414663208.db2.gz ISTMSCNPTKLDFM-ZIAGYGMSSA-N 1 0 376.457 3.378 20 5 GGBDRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000123247193 1414677931 /nfs/dbraw/zinc/67/79/31/1414677931.db2.gz BFLFNGNJXGTXAC-AWEZNQCLSA-N 1 0 377.466 3.250 20 5 GGBDRO Cc1cc(F)cc(C(=O)NCC2([NH+]3CCSCC3)CCCC2)c1[N+](=O)[O-] ZINC000123296153 1414690522 /nfs/dbraw/zinc/69/05/22/1414690522.db2.gz JWZMWEZXAKBTOG-UHFFFAOYSA-N 1 0 381.473 3.134 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000123623130 1414798936 /nfs/dbraw/zinc/79/89/36/1414798936.db2.gz XZLZNEARUORUGE-SJORKVTESA-N 1 0 393.509 3.218 20 5 GGBDRO COc1ccc(CSCC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000123667948 1414806312 /nfs/dbraw/zinc/80/63/12/1414806312.db2.gz HQFHDSPSDQFDEO-HNNXBMFYSA-N 1 0 395.525 3.217 20 5 GGBDRO Cn1cc(C[NH2+]C[C@@H](O)c2ccccc2Cl)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000123800265 1414826442 /nfs/dbraw/zinc/82/64/42/1414826442.db2.gz YTDIFXGEAUTNOU-GOSISDBHSA-N 1 0 386.839 3.472 20 5 GGBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000124178352 1414901110 /nfs/dbraw/zinc/90/11/10/1414901110.db2.gz JDOMDXAGRSIYKR-QGZVFWFLSA-N 1 0 383.448 3.497 20 5 GGBDRO COc1cc(C[NH2+]C[C@H](O)c2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1O ZINC000124227441 1414914005 /nfs/dbraw/zinc/91/40/05/1414914005.db2.gz CJMLSPGTONMHIH-AWEZNQCLSA-N 1 0 387.219 3.439 20 5 GGBDRO COc1cc(C[NH2+]C[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000124297029 1414932290 /nfs/dbraw/zinc/93/22/90/1414932290.db2.gz QVIZFZYKILUANR-RISCZKNCSA-N 1 0 392.374 3.185 20 5 GGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000177759351 1428851670 /nfs/dbraw/zinc/85/16/70/1428851670.db2.gz PCQIRUVZMPGOSL-ZBFHGGJFSA-N 1 0 386.477 3.417 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)C1CC1 ZINC000177771281 1428854713 /nfs/dbraw/zinc/85/47/13/1428854713.db2.gz GWMTWAPSZXAJOI-FQEVSTJZSA-N 1 0 377.448 3.346 20 5 GGBDRO O=C(c1ccccc1)N1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000124733621 1415031559 /nfs/dbraw/zinc/03/15/59/1415031559.db2.gz IFFRYXLXGAVILZ-UHFFFAOYSA-N 1 0 383.448 3.212 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(F)c1 ZINC000124804019 1415047524 /nfs/dbraw/zinc/04/75/24/1415047524.db2.gz JZPMLSKVEAEKNN-IBGZPJMESA-N 1 0 384.411 3.177 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccc(F)cc1 ZINC000125231542 1415135213 /nfs/dbraw/zinc/13/52/13/1415135213.db2.gz XGFLDPKVPAJGGU-SFHVURJKSA-N 1 0 382.395 3.315 20 5 GGBDRO COCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccc(C)o1 ZINC000125291580 1415154419 /nfs/dbraw/zinc/15/44/19/1415154419.db2.gz CLIXBAJQSJCZAJ-UHFFFAOYSA-N 1 0 375.425 3.282 20 5 GGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000125308511 1415159116 /nfs/dbraw/zinc/15/91/16/1415159116.db2.gz PFFDHJCEUWIYKZ-DNVCBOLYSA-N 1 0 387.480 3.357 20 5 GGBDRO CC[NH+](CC)[C@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000125435665 1415197236 /nfs/dbraw/zinc/19/72/36/1415197236.db2.gz ZYEPVGSYJGDKJX-XLIONFOSSA-N 1 0 397.479 3.086 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000177919152 1428891767 /nfs/dbraw/zinc/89/17/67/1428891767.db2.gz SUEORJBYUIFPQG-SQGPQFPESA-N 1 0 386.496 3.038 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000177945007 1428897594 /nfs/dbraw/zinc/89/75/94/1428897594.db2.gz LYBTZJGDDBBJSB-SQGPQFPESA-N 1 0 386.496 3.038 20 5 GGBDRO CC(C)CC[NH+]1CCC(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000126065976 1415349402 /nfs/dbraw/zinc/34/94/02/1415349402.db2.gz URLDOGSGCLAKDK-UHFFFAOYSA-N 1 0 376.501 3.195 20 5 GGBDRO Cn1cc(N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)cn1 ZINC000126082478 1415353457 /nfs/dbraw/zinc/35/34/57/1415353457.db2.gz RUPKTTVRZKVBTO-UHFFFAOYSA-N 1 0 383.477 3.379 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ncn(CN3CCC[N@H+](Cc4ccccc4)CC3)n2)cc1 ZINC000126152324 1415370867 /nfs/dbraw/zinc/37/08/67/1415370867.db2.gz YSUOPLZZPGBMLC-UHFFFAOYSA-N 1 0 392.463 3.019 20 5 GGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3COC4(CCCCC4)O3)CC2)cc1 ZINC000126211491 1415385487 /nfs/dbraw/zinc/38/54/87/1415385487.db2.gz XAQBZBMFZZXWLL-LJQANCHMSA-N 1 0 375.469 3.229 20 5 GGBDRO Cc1c(C(=O)NCCCC[NH+]2CCC(C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000126256384 1415395728 /nfs/dbraw/zinc/39/57/28/1415395728.db2.gz KWCGYKDTQRSVAU-UHFFFAOYSA-N 1 0 392.456 3.362 20 5 GGBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000126447201 1415455265 /nfs/dbraw/zinc/45/52/65/1415455265.db2.gz OCMVHDSNSIKOSB-UHFFFAOYSA-N 1 0 388.512 3.435 20 5 GGBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000126675160 1415523976 /nfs/dbraw/zinc/52/39/76/1415523976.db2.gz FPNODKGFTFLHGD-MRXNPFEDSA-N 1 0 386.477 3.419 20 5 GGBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126727823 1415540771 /nfs/dbraw/zinc/54/07/71/1415540771.db2.gz YUNHTAWCVITMAO-UZLBHIALSA-N 1 0 386.496 3.262 20 5 GGBDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000126778458 1415556485 /nfs/dbraw/zinc/55/64/85/1415556485.db2.gz HFBVMOHFSWKRIA-UHFFFAOYSA-N 1 0 378.379 3.469 20 5 GGBDRO O=C(NC[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000178045030 1428954297 /nfs/dbraw/zinc/95/42/97/1428954297.db2.gz BMAGMNOLCBVDFD-KRWDZBQOSA-N 1 0 383.448 3.116 20 5 GGBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000126985646 1415625996 /nfs/dbraw/zinc/62/59/96/1415625996.db2.gz LMLCPJGTGUDVCF-RMKNXTFCSA-N 1 0 395.459 3.451 20 5 GGBDRO Cc1c(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cccc1[N+](=O)[O-] ZINC000126990460 1415628080 /nfs/dbraw/zinc/62/80/80/1415628080.db2.gz NOLGDCDXLJXRBF-UHFFFAOYSA-N 1 0 383.448 3.360 20 5 GGBDRO CC(C)(C)OC(=O)NCCCOC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000178067724 1428966806 /nfs/dbraw/zinc/96/68/06/1428966806.db2.gz YHGLTZYKDXGWCX-UHFFFAOYSA-N 1 0 393.484 3.491 20 5 GGBDRO C[C@H]1C[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[N@@H+]1Cc1ccccc1 ZINC000127056539 1415649348 /nfs/dbraw/zinc/64/93/48/1415649348.db2.gz DEEODHARPYWTLG-YJBOKZPZSA-N 1 0 392.459 3.398 20 5 GGBDRO Cc1cccc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c1[N+](=O)[O-] ZINC000127062448 1415650653 /nfs/dbraw/zinc/65/06/53/1415650653.db2.gz GGPNTAFNTJCTFY-UHFFFAOYSA-N 1 0 383.448 3.360 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c1 ZINC000127072869 1415654979 /nfs/dbraw/zinc/65/49/79/1415654979.db2.gz ULAXGAIRSKKKQJ-UHFFFAOYSA-N 1 0 399.447 3.060 20 5 GGBDRO O=C(c1cc2ccccc2c2cccnc12)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178081345 1428973498 /nfs/dbraw/zinc/97/34/98/1428973498.db2.gz GXMMJGKOPPKCRK-KRWDZBQOSA-N 1 0 375.472 3.182 20 5 GGBDRO Cc1nccn1CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000127335004 1415741895 /nfs/dbraw/zinc/74/18/95/1415741895.db2.gz FJZKDIPBXFKNTN-UHFFFAOYSA-N 1 0 397.401 3.331 20 5 GGBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127414695 1415771819 /nfs/dbraw/zinc/77/18/19/1415771819.db2.gz DMOFICBTLOLXFL-AWEZNQCLSA-N 1 0 386.477 3.276 20 5 GGBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127506810 1415801948 /nfs/dbraw/zinc/80/19/48/1415801948.db2.gz BNBVILCEYSCSFU-KRWDZBQOSA-N 1 0 386.496 3.143 20 5 GGBDRO C[C@@H]([NH2+]CC1(c2ccccc2)CCOCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000127659753 1415828000 /nfs/dbraw/zinc/82/80/00/1415828000.db2.gz SIENDYOPZJIFKL-MRXNPFEDSA-N 1 0 383.448 3.260 20 5 GGBDRO O=C(CC[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000127777289 1415848923 /nfs/dbraw/zinc/84/89/23/1415848923.db2.gz YAKPUZUQXKOWIZ-UHFFFAOYSA-N 1 0 397.431 3.224 20 5 GGBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000127817284 1415856653 /nfs/dbraw/zinc/85/66/53/1415856653.db2.gz RITHJPJYVFWUDG-LJQANCHMSA-N 1 0 382.464 3.425 20 5 GGBDRO COc1ccc(CSCC(=O)Nc2ccc([C@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000178187283 1429012600 /nfs/dbraw/zinc/01/26/00/1429012600.db2.gz FORXSTBSURMAJH-LBPRGKRZSA-N 1 0 375.450 3.495 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000178241728 1429028753 /nfs/dbraw/zinc/02/87/53/1429028753.db2.gz YZIMGKBWVPYXDC-CALCHBBNSA-N 1 0 389.496 3.255 20 5 GGBDRO Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)ccc1[N+](=O)[O-] ZINC000178242346 1429029648 /nfs/dbraw/zinc/02/96/48/1429029648.db2.gz WYGACPGREOZWLI-KUHUBIRLSA-N 1 0 396.447 3.166 20 5 GGBDRO Cc1cc(C(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc([N+](=O)[O-])c1 ZINC000178246877 1429031407 /nfs/dbraw/zinc/03/14/07/1429031407.db2.gz AGTPTFQBAIKWFM-IRXDYDNUSA-N 1 0 389.496 3.255 20 5 GGBDRO C[C@H]1C[NH+](CCC2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C[C@H](C)O1 ZINC000178233304 1429025492 /nfs/dbraw/zinc/02/54/92/1429025492.db2.gz OBESSMBQKAEETM-KBPBESRZSA-N 1 0 381.498 3.008 20 5 GGBDRO Cc1cc(C(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc([N+](=O)[O-])c1 ZINC000178246848 1429031552 /nfs/dbraw/zinc/03/15/52/1429031552.db2.gz AGTPTFQBAIKWFM-CALCHBBNSA-N 1 0 389.496 3.255 20 5 GGBDRO Cc1cccc(C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000178246410 1429031589 /nfs/dbraw/zinc/03/15/89/1429031589.db2.gz CIAWPSMLYOQRNE-IAGOWNOFSA-N 1 0 389.496 3.255 20 5 GGBDRO COCC[N@H+](C)CC[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000128487756 1415998662 /nfs/dbraw/zinc/99/86/62/1415998662.db2.gz UIHYOXWSVIHPNT-SFHVURJKSA-N 1 0 389.427 3.173 20 5 GGBDRO Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000128580789 1416018690 /nfs/dbraw/zinc/01/86/90/1416018690.db2.gz BFGHLMJNWUYCGN-UHFFFAOYSA-N 1 0 388.380 3.004 20 5 GGBDRO CC[C@H]([NH2+]CCC(=O)N1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000128595225 1416021475 /nfs/dbraw/zinc/02/14/75/1416021475.db2.gz LSGLUSZSNVGUMZ-NRFANRHFSA-N 1 0 396.491 3.374 20 5 GGBDRO O=C(CC[N@@H+](CCO)[C@@H]1CCc2ccccc21)Nc1cc([N+](=O)[O-])ccc1F ZINC000128841550 1416082895 /nfs/dbraw/zinc/08/28/95/1416082895.db2.gz XQUJHNUTZPISOX-LJQANCHMSA-N 1 0 387.411 3.044 20 5 GGBDRO C[C@]1(c2ccccc2)CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000128907126 1416097895 /nfs/dbraw/zinc/09/78/95/1416097895.db2.gz ANMPKEMHWXLTEW-HXUWFJFHSA-N 1 0 387.411 3.310 20 5 GGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(CC[NH+]2CCCCC2)CC1 ZINC000178307536 1429047910 /nfs/dbraw/zinc/04/79/10/1429047910.db2.gz SIEKEPWKAGMHHO-UHFFFAOYSA-N 1 0 386.418 3.222 20 5 GGBDRO CCO[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C12CCC2 ZINC000128927958 1416104657 /nfs/dbraw/zinc/10/46/57/1416104657.db2.gz XTKVWFKVWFCAFK-DLBZAZTESA-N 1 0 379.432 3.342 20 5 GGBDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000128942427 1416109518 /nfs/dbraw/zinc/10/95/18/1416109518.db2.gz OCBXVJLWNYJRSS-UHFFFAOYSA-N 1 0 391.418 3.396 20 5 GGBDRO CCCC[N@H+](C)CC1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000178387825 1429067179 /nfs/dbraw/zinc/06/71/79/1429067179.db2.gz BULSASNZAZQGTE-UHFFFAOYSA-N 1 0 390.484 3.500 20 5 GGBDRO C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000129125414 1416150981 /nfs/dbraw/zinc/15/09/81/1416150981.db2.gz RLHUBUYUTBKHJP-OAUYIBNBSA-N 1 0 398.385 3.254 20 5 GGBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2ccnc(N3CCCCC3)c2)s1 ZINC000129137958 1416154221 /nfs/dbraw/zinc/15/42/21/1416154221.db2.gz IGGGIMHYFUCZFS-UHFFFAOYSA-N 1 0 396.494 3.057 20 5 GGBDRO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H]1CN(C)CCO1 ZINC000129339959 1416193995 /nfs/dbraw/zinc/19/39/95/1416193995.db2.gz IEGIODPSMZDZFV-KPZWWZAWSA-N 1 0 379.844 3.317 20 5 GGBDRO CCOC(=O)CC[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000129368772 1416197917 /nfs/dbraw/zinc/19/79/17/1416197917.db2.gz BUNKTHXLASHISD-CQSZACIVSA-N 1 0 395.431 3.118 20 5 GGBDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC000129731911 1416255068 /nfs/dbraw/zinc/25/50/68/1416255068.db2.gz WQNIRQIJFBYLQQ-GFCCVEGCSA-N 1 0 388.399 3.372 20 5 GGBDRO COC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccc(F)c(F)c1 ZINC000129942336 1416288605 /nfs/dbraw/zinc/28/86/05/1416288605.db2.gz IKBQICOXHBEETH-KRWDZBQOSA-N 1 0 397.353 3.318 20 5 GGBDRO CC[NH2+]CC1CCN(c2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000130021941 1416304021 /nfs/dbraw/zinc/30/40/21/1416304021.db2.gz IWKRIRYGXOALDI-UHFFFAOYSA-N 1 0 389.237 3.025 20 5 GGBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000130082592 1416314304 /nfs/dbraw/zinc/31/43/04/1416314304.db2.gz LNHOIEIDWJGQDC-UHFFFAOYSA-N 1 0 396.369 3.213 20 5 GGBDRO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000130108192 1416319430 /nfs/dbraw/zinc/31/94/30/1416319430.db2.gz SHZIHAXJGOGJGZ-HNNXBMFYSA-N 1 0 376.434 3.335 20 5 GGBDRO O=C(c1ccco1)N1CCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000130338961 1416360831 /nfs/dbraw/zinc/36/08/31/1416360831.db2.gz CTLZOARBHJCYBK-UHFFFAOYSA-N 1 0 398.463 3.051 20 5 GGBDRO CCc1ccc([C@@H](COC)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)o1 ZINC000130412691 1416373929 /nfs/dbraw/zinc/37/39/29/1416373929.db2.gz FMLXTKIOUKRAKF-MRXNPFEDSA-N 1 0 379.388 3.195 20 5 GGBDRO C[NH+](C)CC(C)(C)CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000130451511 1416380501 /nfs/dbraw/zinc/38/05/01/1416380501.db2.gz YVOLPPWIYANNKP-UHFFFAOYSA-N 1 0 392.681 3.328 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000130655840 1416418472 /nfs/dbraw/zinc/41/84/72/1416418472.db2.gz DAWUXSXFLSFBDM-MRXNPFEDSA-N 1 0 385.468 3.165 20 5 GGBDRO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000130841774 1416464804 /nfs/dbraw/zinc/46/48/04/1416464804.db2.gz UFOZGHPZQMZSQO-CRAIPNDOSA-N 1 0 382.464 3.302 20 5 GGBDRO COc1cc(OC)cc([C@H](O)C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000130871840 1416472053 /nfs/dbraw/zinc/47/20/53/1416472053.db2.gz KQUFQAMUIURYHY-PZJWPPBQSA-N 1 0 386.448 3.256 20 5 GGBDRO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000130972741 1416489663 /nfs/dbraw/zinc/48/96/63/1416489663.db2.gz RTWASHDTMOHVFX-JTQLQIEISA-N 1 0 398.250 3.041 20 5 GGBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000131014657 1416496050 /nfs/dbraw/zinc/49/60/50/1416496050.db2.gz VUEYQVIYMPEPLB-HNNXBMFYSA-N 1 0 379.420 3.394 20 5 GGBDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000131106153 1416509620 /nfs/dbraw/zinc/50/96/20/1416509620.db2.gz BBESMNCJRCVHBQ-UHFFFAOYSA-N 1 0 377.485 3.114 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H](CN4CCOCC4)C3)o2)cc1 ZINC000131104859 1416509635 /nfs/dbraw/zinc/50/96/35/1416509635.db2.gz PRDVRZYYMPDERK-QGZVFWFLSA-N 1 0 385.464 3.399 20 5 GGBDRO CC[N@@H+]1CCC[C@H]1CNCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000131310575 1416538158 /nfs/dbraw/zinc/53/81/58/1416538158.db2.gz SEVNCDGDIHZNBR-ZDUSSCGKSA-N 1 0 391.390 3.118 20 5 GGBDRO COc1ccccc1CC(=O)N1CCC([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000131584639 1416580061 /nfs/dbraw/zinc/58/00/61/1416580061.db2.gz SSGMTTUCFSKUPX-UHFFFAOYSA-N 1 0 397.475 3.235 20 5 GGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCCS2(=O)=O)ccc1Oc1ccc(F)cc1 ZINC000131816495 1416627144 /nfs/dbraw/zinc/62/71/44/1416627144.db2.gz RLIMWXDMQYEPJO-INIZCTEOSA-N 1 0 394.424 3.193 20 5 GGBDRO Cc1c(CC(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)cccc1[N+](=O)[O-] ZINC000178595199 1429116540 /nfs/dbraw/zinc/11/65/40/1429116540.db2.gz WPDZQNNJGQJEPL-UHFFFAOYSA-N 1 0 382.464 3.226 20 5 GGBDRO COc1ccc(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000131966951 1416661656 /nfs/dbraw/zinc/66/16/56/1416661656.db2.gz OKICQJRCRGRBGM-INIZCTEOSA-N 1 0 383.448 3.340 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000131976188 1416664221 /nfs/dbraw/zinc/66/42/21/1416664221.db2.gz LMWHLKJVJJJPQR-INIZCTEOSA-N 1 0 375.469 3.188 20 5 GGBDRO COc1ccccc1[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000132367713 1416747116 /nfs/dbraw/zinc/74/71/16/1416747116.db2.gz JPCDKKFXYHQHNB-GOSISDBHSA-N 1 0 387.411 3.309 20 5 GGBDRO COc1cccc([C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000132395598 1416751401 /nfs/dbraw/zinc/75/14/01/1416751401.db2.gz BMSSALJUSVEEMJ-LJQANCHMSA-N 1 0 387.411 3.309 20 5 GGBDRO C[C@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178641424 1429128008 /nfs/dbraw/zinc/12/80/08/1429128008.db2.gz JFXVQBRBXZHHNR-INIZCTEOSA-N 1 0 382.464 3.349 20 5 GGBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000132455126 1416763928 /nfs/dbraw/zinc/76/39/28/1416763928.db2.gz DDPXQBODOJIPEV-OAHLLOKOSA-N 1 0 385.420 3.085 20 5 GGBDRO C[NH+](C)CCCC1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000132451908 1416764103 /nfs/dbraw/zinc/76/41/03/1416764103.db2.gz PPEOCEFBPNLZIZ-UHFFFAOYSA-N 1 0 388.512 3.389 20 5 GGBDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178639928 1429127291 /nfs/dbraw/zinc/12/72/91/1429127291.db2.gz TYPSNUAKIPAYOI-OAHLLOKOSA-N 1 0 391.493 3.476 20 5 GGBDRO C[C@@H]1C[C@@H](N(C)C(=O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000132490092 1416772073 /nfs/dbraw/zinc/77/20/73/1416772073.db2.gz KLONEEYJFLWVEJ-MJGOQNOKSA-N 1 0 397.475 3.485 20 5 GGBDRO C[C@H]1C[C@H](N(C)C(=O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000132489869 1416772163 /nfs/dbraw/zinc/77/21/63/1416772163.db2.gz KLONEEYJFLWVEJ-PKOBYXMFSA-N 1 0 397.475 3.485 20 5 GGBDRO C[C@H]1C[C@@H](N(C)C(=O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000132525067 1416777794 /nfs/dbraw/zinc/77/77/94/1416777794.db2.gz VWBWEUADDBFZEV-HKUYNNGSSA-N 1 0 397.475 3.485 20 5 GGBDRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178650007 1429129057 /nfs/dbraw/zinc/12/90/57/1429129057.db2.gz GWPZADUBDRCDEF-HNNXBMFYSA-N 1 0 391.493 3.273 20 5 GGBDRO C[C@H]([NH3+])CCNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000178654037 1429129849 /nfs/dbraw/zinc/12/98/49/1429129849.db2.gz SCBHUHMOECPNNX-LBPRGKRZSA-N 1 0 376.844 3.327 20 5 GGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC000132720854 1416807914 /nfs/dbraw/zinc/80/79/14/1416807914.db2.gz XOFGRCCUHBXWBB-UHFFFAOYSA-N 1 0 382.395 3.166 20 5 GGBDRO COc1ccc2[nH]cc(C3=CC[N@H+](CCn4cc([N+](=O)[O-])ccc4=O)CC3)c2c1 ZINC000132725794 1416808422 /nfs/dbraw/zinc/80/84/22/1416808422.db2.gz XRMMKKUWSHLPDJ-UHFFFAOYSA-N 1 0 394.431 3.036 20 5 GGBDRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])cc2)CC1 ZINC000132856423 1416823632 /nfs/dbraw/zinc/82/36/32/1416823632.db2.gz LHAOXWJHZVJQEQ-UHFFFAOYSA-N 1 0 386.427 3.124 20 5 GGBDRO Cc1[nH]c2ccccc2c1C1=CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000133024344 1416843184 /nfs/dbraw/zinc/84/31/84/1416843184.db2.gz VJGAJESPCJLCBT-UHFFFAOYSA-N 1 0 378.432 3.336 20 5 GGBDRO CCOC(=O)c1ccnc(NC[C@@H](c2cccs2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000133145891 1416857209 /nfs/dbraw/zinc/85/72/09/1416857209.db2.gz ZHVUQLDWMQDWSL-AWEZNQCLSA-N 1 0 390.465 3.477 20 5 GGBDRO CCOC(=O)c1ccnc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000133297107 1416875975 /nfs/dbraw/zinc/87/59/75/1416875975.db2.gz AMDPBKANLNLPGN-KRWDZBQOSA-N 1 0 384.436 3.416 20 5 GGBDRO CCOC(=O)c1ccnc(N[C@H](C[NH+]2CCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000133297303 1416875981 /nfs/dbraw/zinc/87/59/81/1416875981.db2.gz AMDPBKANLNLPGN-QGZVFWFLSA-N 1 0 384.436 3.416 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000178681065 1429139019 /nfs/dbraw/zinc/13/90/19/1429139019.db2.gz POCIORVXODDFAT-KBPBESRZSA-N 1 0 385.420 3.352 20 5 GGBDRO CC(C)[NH+]1CCN(c2ccc(C(=O)NCCc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000133302644 1416876599 /nfs/dbraw/zinc/87/65/99/1416876599.db2.gz KFVBIOYYCSLTHJ-UHFFFAOYSA-N 1 0 396.491 3.098 20 5 GGBDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2=O)c1 ZINC000178681381 1429139354 /nfs/dbraw/zinc/13/93/54/1429139354.db2.gz IVXOQCPKQMULIK-IFXJQAMLSA-N 1 0 399.447 3.377 20 5 GGBDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)C1 ZINC000133485220 1416894398 /nfs/dbraw/zinc/89/43/98/1416894398.db2.gz UFJCKZVJDWWRIV-CYBMUJFWSA-N 1 0 392.506 3.335 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000133596445 1416914332 /nfs/dbraw/zinc/91/43/32/1416914332.db2.gz FTNHMPSBCQVYNL-UHFFFAOYSA-N 1 0 396.447 3.117 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)C1CC1 ZINC000133635022 1416926542 /nfs/dbraw/zinc/92/65/42/1416926542.db2.gz FDUDKZVQKVGIIA-HNAYVOBHSA-N 1 0 392.402 3.224 20 5 GGBDRO O=C(C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000133647904 1416930746 /nfs/dbraw/zinc/93/07/46/1416930746.db2.gz DRLQGUSDLVAHOD-HUUCEWRRSA-N 1 0 383.404 3.188 20 5 GGBDRO C[N@@H+]1CCC[C@H]2CN(c3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000133667019 1416934988 /nfs/dbraw/zinc/93/49/88/1416934988.db2.gz XHZCABUZUPBJFR-JQWIXIFHSA-N 1 0 388.346 3.442 20 5 GGBDRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000133676313 1416937679 /nfs/dbraw/zinc/93/76/79/1416937679.db2.gz UOBNRDBMDCKQMB-CYBMUJFWSA-N 1 0 377.441 3.437 20 5 GGBDRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000133676521 1416938012 /nfs/dbraw/zinc/93/80/12/1416938012.db2.gz UOBNRDBMDCKQMB-ZDUSSCGKSA-N 1 0 377.441 3.437 20 5 GGBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(OC(F)F)c1 ZINC000133709034 1416947862 /nfs/dbraw/zinc/94/78/62/1416947862.db2.gz RWSSQNVLPNBGRB-SWLSCSKDSA-N 1 0 382.363 3.287 20 5 GGBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(OC(F)F)c1 ZINC000133709269 1416948440 /nfs/dbraw/zinc/94/84/40/1416948440.db2.gz RWSSQNVLPNBGRB-IUODEOHRSA-N 1 0 382.363 3.287 20 5 GGBDRO COc1cccc([C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)N(C)C)c1 ZINC000133775038 1416961362 /nfs/dbraw/zinc/96/13/62/1416961362.db2.gz WBFWOERYDQOVHP-QFIPXVFZSA-N 1 0 398.507 3.465 20 5 GGBDRO NC(=O)c1ccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000133827982 1416971357 /nfs/dbraw/zinc/97/13/57/1416971357.db2.gz MIRIQMCPHTVOJX-OALUTQOASA-N 1 0 394.475 3.185 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000133840190 1416974790 /nfs/dbraw/zinc/97/47/90/1416974790.db2.gz MMRLOLZWLYAWRP-AWEZNQCLSA-N 1 0 377.466 3.004 20 5 GGBDRO CCOC(=O)c1ccnc(NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000133911593 1416993059 /nfs/dbraw/zinc/99/30/59/1416993059.db2.gz OHKAAIHXKHVSAP-OAHLLOKOSA-N 1 0 388.424 3.317 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl ZINC000178728135 1429153109 /nfs/dbraw/zinc/15/31/09/1429153109.db2.gz YOSHGNRVLXAQMY-LLVKDONJSA-N 1 0 378.816 3.159 20 5 GGBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000134166067 1417031940 /nfs/dbraw/zinc/03/19/40/1417031940.db2.gz CLMFSEGWGOGXOT-UHFFFAOYSA-N 1 0 392.459 3.183 20 5 GGBDRO CN(C(=O)C[N@H+](Cc1ccccc1)CC1(O)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000134334512 1417057004 /nfs/dbraw/zinc/05/70/04/1417057004.db2.gz RHBBLQRUHPBPDG-UHFFFAOYSA-N 1 0 397.475 3.365 20 5 GGBDRO C[C@H]1C[NH+](CCC2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000134474583 1417074265 /nfs/dbraw/zinc/07/42/65/1417074265.db2.gz QYYQPZLZKMBSMR-GJZGRUSLSA-N 1 0 393.459 3.085 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000178728127 1429153589 /nfs/dbraw/zinc/15/35/89/1429153589.db2.gz YOSHGNRVLXAQMY-NSHDSACASA-N 1 0 378.816 3.159 20 5 GGBDRO CC[NH+]1CCC(n2nccc2NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134775188 1417123610 /nfs/dbraw/zinc/12/36/10/1417123610.db2.gz UUQNXPNYMFWLEE-UHFFFAOYSA-N 1 0 377.832 3.354 20 5 GGBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000134824743 1417131965 /nfs/dbraw/zinc/13/19/65/1417131965.db2.gz SVMJHSBOXJSIKT-LJQANCHMSA-N 1 0 392.459 3.399 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)o2)cc1 ZINC000134860988 1417135202 /nfs/dbraw/zinc/13/52/02/1417135202.db2.gz GIMHMSXPVDQQRR-CRAIPNDOSA-N 1 0 383.452 3.094 20 5 GGBDRO Cc1c(NC(=O)CCN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000134877180 1417138207 /nfs/dbraw/zinc/13/82/07/1417138207.db2.gz AYLSQYCDAFCMCR-OXQOHEQNSA-N 1 0 386.496 3.181 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134902099 1417141671 /nfs/dbraw/zinc/14/16/71/1417141671.db2.gz MPSZZWWAEFVIDN-OXQOHEQNSA-N 1 0 386.496 3.181 20 5 GGBDRO O=C(CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000134929108 1417147076 /nfs/dbraw/zinc/14/70/76/1417147076.db2.gz AWVYBDOIXFTDCX-CXAGYDPISA-N 1 0 392.887 3.135 20 5 GGBDRO C[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000135393108 1417214265 /nfs/dbraw/zinc/21/42/65/1417214265.db2.gz AQPZUTKEYDRVTC-DQYPLSBCSA-N 1 0 398.385 3.254 20 5 GGBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000135617758 1417248158 /nfs/dbraw/zinc/24/81/58/1417248158.db2.gz MHODXXNZNXEFRN-MDZDMXLPSA-N 1 0 381.432 3.203 20 5 GGBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000135803639 1417269844 /nfs/dbraw/zinc/26/98/44/1417269844.db2.gz OFXHKXKVHPQRSY-KRWDZBQOSA-N 1 0 394.475 3.421 20 5 GGBDRO CCOc1ccccc1NC(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000136195360 1417300439 /nfs/dbraw/zinc/30/04/39/1417300439.db2.gz PYFKSUSLGZMANG-UHFFFAOYSA-N 1 0 398.463 3.144 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000136492281 1417321205 /nfs/dbraw/zinc/32/12/05/1417321205.db2.gz JQUAYXXBTOWPPJ-AWEZNQCLSA-N 1 0 384.354 3.434 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178808240 1429176398 /nfs/dbraw/zinc/17/63/98/1429176398.db2.gz LPTFDKFPBNMLOE-MHZLTWQESA-N 1 0 389.477 3.101 20 5 GGBDRO C[C@H]1C[NH+](CC2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)C[C@H](C)O1 ZINC000136849081 1417350273 /nfs/dbraw/zinc/35/02/73/1417350273.db2.gz LFFMOMARRGNCFA-KBPBESRZSA-N 1 0 395.887 3.210 20 5 GGBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000136852748 1417350495 /nfs/dbraw/zinc/35/04/95/1417350495.db2.gz PKNQXZRIALSEGA-SFHVURJKSA-N 1 0 386.452 3.257 20 5 GGBDRO CC(C)(C)c1ccc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000136888222 1417352663 /nfs/dbraw/zinc/35/26/63/1417352663.db2.gz TVWPNRFDRNHJKB-OAHLLOKOSA-N 1 0 389.496 3.123 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000136994348 1417360934 /nfs/dbraw/zinc/36/09/34/1417360934.db2.gz NATGKVCMGOXSLY-INIZCTEOSA-N 1 0 393.509 3.034 20 5 GGBDRO COc1cccc(C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]2CCCO2)c1 ZINC000137004962 1417361671 /nfs/dbraw/zinc/36/16/71/1417361671.db2.gz XUZOAHAJICEMPT-SFTDATJTSA-N 1 0 386.448 3.318 20 5 GGBDRO COc1cccc(C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]2CCCO2)c1 ZINC000137005013 1417361848 /nfs/dbraw/zinc/36/18/48/1417361848.db2.gz XUZOAHAJICEMPT-RTWAWAEBSA-N 1 0 386.448 3.318 20 5 GGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000137068672 1417366622 /nfs/dbraw/zinc/36/66/22/1417366622.db2.gz GVKMWTFZXWHEMV-IBGZPJMESA-N 1 0 387.392 3.080 20 5 GGBDRO C[C@@H]1C[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000137447740 1417385669 /nfs/dbraw/zinc/38/56/69/1417385669.db2.gz RNTYKRNOSFFSQL-SJLPKXTDSA-N 1 0 383.448 3.143 20 5 GGBDRO COc1cc(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000137458413 1417387256 /nfs/dbraw/zinc/38/72/56/1417387256.db2.gz AKAXIQVAFWKAQI-GOEBONIOSA-N 1 0 399.447 3.005 20 5 GGBDRO Cc1c(C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000137489570 1417388903 /nfs/dbraw/zinc/38/89/03/1417388903.db2.gz DNGHZHKWZXMBSV-CJNGLKHVSA-N 1 0 398.419 3.204 20 5 GGBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000137846440 1417397121 /nfs/dbraw/zinc/39/71/21/1417397121.db2.gz QXIYMNNYLDFJQH-SUMWQHHRSA-N 1 0 398.419 3.204 20 5 GGBDRO CCc1ccc([C@@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000137970544 1417399515 /nfs/dbraw/zinc/39/95/15/1417399515.db2.gz ZOLMJYIWTONSBS-LJQANCHMSA-N 1 0 381.436 3.109 20 5 GGBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000138228101 1417408389 /nfs/dbraw/zinc/40/83/89/1417408389.db2.gz BXAFPYOLYSWLLY-OAHLLOKOSA-N 1 0 385.468 3.021 20 5 GGBDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000138573552 1417426395 /nfs/dbraw/zinc/42/63/95/1417426395.db2.gz OSNLTVOXRMUVOL-UHFFFAOYSA-N 1 0 382.464 3.050 20 5 GGBDRO O=C(COc1cccc([N+](=O)[O-])c1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000138608443 1417428984 /nfs/dbraw/zinc/42/89/84/1417428984.db2.gz NPDBEDIUBYNAEB-UHFFFAOYSA-N 1 0 387.461 3.161 20 5 GGBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000139187779 1417451401 /nfs/dbraw/zinc/45/14/01/1417451401.db2.gz RRZOEDFBZXLEAC-AEFFLSMTSA-N 1 0 383.448 3.315 20 5 GGBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1C ZINC000139254250 1417453732 /nfs/dbraw/zinc/45/37/32/1417453732.db2.gz OZTGDWMQQGJNRW-UXLLHSPISA-N 1 0 395.525 3.238 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000139927920 1417481053 /nfs/dbraw/zinc/48/10/53/1417481053.db2.gz ACNWYEYGLPUOND-CQSZACIVSA-N 1 0 389.477 3.307 20 5 GGBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000140035609 1417486202 /nfs/dbraw/zinc/48/62/02/1417486202.db2.gz YYSIMZSMEQNICY-OAHLLOKOSA-N 1 0 389.477 3.064 20 5 GGBDRO Cc1cccc(N2CC[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1C ZINC000140063654 1417486876 /nfs/dbraw/zinc/48/68/76/1417486876.db2.gz KZJTXLGYJMLBHY-UHFFFAOYSA-N 1 0 382.464 3.362 20 5 GGBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000140175081 1417490934 /nfs/dbraw/zinc/49/09/34/1417490934.db2.gz JAGGNZZYSRLWRA-HNNXBMFYSA-N 1 0 389.477 3.064 20 5 GGBDRO O=[N+]([O-])c1c(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)nc2sccn21 ZINC000140359215 1417500349 /nfs/dbraw/zinc/50/03/49/1417500349.db2.gz ZMEIQQMHMHPGEQ-UHFFFAOYSA-N 1 0 375.429 3.155 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCC([C@H](O)C(F)(F)F)CC3)o2)c1 ZINC000140900213 1417521188 /nfs/dbraw/zinc/52/11/88/1417521188.db2.gz OOIKKDCXDGPYHE-KRWDZBQOSA-N 1 0 399.369 3.428 20 5 GGBDRO O=C(CN1CC[NH+](C2CCCCC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000141780532 1417555962 /nfs/dbraw/zinc/55/59/62/1417555962.db2.gz JRIUARCQPQHTPI-UHFFFAOYSA-N 1 0 380.876 3.137 20 5 GGBDRO CC1CCN(c2ccc(C(=O)N3CCC[N@@H+]4CCC[C@H]4C3)cc2[N+](=O)[O-])CC1 ZINC000142340610 1417584890 /nfs/dbraw/zinc/58/48/90/1417584890.db2.gz LTIHNZMUMMKJTO-SFHVURJKSA-N 1 0 386.496 3.141 20 5 GGBDRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000146027271 1417708662 /nfs/dbraw/zinc/70/86/62/1417708662.db2.gz MRAVNENMHOWMKQ-UHFFFAOYSA-N 1 0 397.460 3.272 20 5 GGBDRO COc1ccc(CSCC(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000147714543 1417751829 /nfs/dbraw/zinc/75/18/29/1417751829.db2.gz AOHZWYDZFQMHIJ-HNNXBMFYSA-N 1 0 395.525 3.075 20 5 GGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000149624380 1417778263 /nfs/dbraw/zinc/77/82/63/1417778263.db2.gz LGDHVRGUPFJGMJ-CALCHBBNSA-N 1 0 399.495 3.268 20 5 GGBDRO COc1ccccc1[C@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000149828135 1417780624 /nfs/dbraw/zinc/78/06/24/1417780624.db2.gz XXFWASHMSQHURJ-IBGZPJMESA-N 1 0 383.448 3.479 20 5 GGBDRO COc1ccccc1[C@@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000149828331 1417780631 /nfs/dbraw/zinc/78/06/31/1417780631.db2.gz XXFWASHMSQHURJ-LJQANCHMSA-N 1 0 383.448 3.479 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000150136751 1417785212 /nfs/dbraw/zinc/78/52/12/1417785212.db2.gz KAEATUODMHUQBZ-MRXNPFEDSA-N 1 0 385.420 3.004 20 5 GGBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150739238 1417795477 /nfs/dbraw/zinc/79/54/77/1417795477.db2.gz WCLKAXQYQOLFPE-ZBFHGGJFSA-N 1 0 395.887 3.492 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1OC ZINC000150759417 1417801589 /nfs/dbraw/zinc/80/15/89/1417801589.db2.gz ABDDOCYIXKCHHM-OAHLLOKOSA-N 1 0 391.468 3.093 20 5 GGBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000178887177 1429211051 /nfs/dbraw/zinc/21/10/51/1429211051.db2.gz CPQZPKCUGAOHFN-INIZCTEOSA-N 1 0 397.479 3.357 20 5 GGBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000150964556 1417845028 /nfs/dbraw/zinc/84/50/28/1417845028.db2.gz LARWHKBKBFRXKF-IRXDYDNUSA-N 1 0 381.476 3.410 20 5 GGBDRO C[NH+](C)CCn1ccc2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc21 ZINC000150996523 1417852179 /nfs/dbraw/zinc/85/21/79/1417852179.db2.gz KWKYYWLLLCBGDL-UHFFFAOYSA-N 1 0 382.420 3.129 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000151097833 1417872139 /nfs/dbraw/zinc/87/21/39/1417872139.db2.gz UBCSARRXKNQFKF-UHFFFAOYSA-N 1 0 383.404 3.064 20 5 GGBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000151190103 1417890772 /nfs/dbraw/zinc/89/07/72/1417890772.db2.gz ZICAASRIBATKIL-UHFFFAOYSA-N 1 0 382.464 3.226 20 5 GGBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)CO[C@H]3CCOC3)o2)c([N+](=O)[O-])c1 ZINC000151252622 1417904391 /nfs/dbraw/zinc/90/43/91/1417904391.db2.gz AJPPJCSOFUBVEM-BBRMVZONSA-N 1 0 376.409 3.147 20 5 GGBDRO COc1cccc([C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)c1 ZINC000151287052 1417915577 /nfs/dbraw/zinc/91/55/77/1417915577.db2.gz KEGDEMSVGRXPQC-NRFANRHFSA-N 1 0 397.475 3.489 20 5 GGBDRO COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000151292406 1417917497 /nfs/dbraw/zinc/91/74/97/1417917497.db2.gz PKIMGEYECKDVLT-UHFFFAOYSA-N 1 0 398.467 3.208 20 5 GGBDRO Cc1ccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC000151309958 1417922642 /nfs/dbraw/zinc/92/26/42/1417922642.db2.gz NHFUOYJKSQBZHA-UHFFFAOYSA-N 1 0 386.452 3.284 20 5 GGBDRO Cc1ccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC000151353683 1417933737 /nfs/dbraw/zinc/93/37/37/1417933737.db2.gz CQMZXIVGEGIWDI-UHFFFAOYSA-N 1 0 387.436 3.251 20 5 GGBDRO Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c(OCC[NH+](C)C)c1 ZINC000151362888 1417936745 /nfs/dbraw/zinc/93/67/45/1417936745.db2.gz GOZMGAQWYTUFRC-UHFFFAOYSA-N 1 0 391.399 3.000 20 5 GGBDRO Cn1cc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000151376517 1417941701 /nfs/dbraw/zinc/94/17/01/1417941701.db2.gz BAOSLUSERSXTRC-QFBILLFUSA-N 1 0 388.493 3.140 20 5 GGBDRO Cn1cc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000151376655 1417941737 /nfs/dbraw/zinc/94/17/37/1417941737.db2.gz BAOSLUSERSXTRC-LPHOPBHVSA-N 1 0 388.493 3.140 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000151531336 1418015176 /nfs/dbraw/zinc/01/51/76/1418015176.db2.gz HASCRLQZOOUSJL-UHFFFAOYSA-N 1 0 399.466 3.444 20 5 GGBDRO Cc1ccc(S(=O)(=O)N(CC[NH+]2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000151673211 1418057567 /nfs/dbraw/zinc/05/75/67/1418057567.db2.gz HDHXKKJENLCWNL-UHFFFAOYSA-N 1 0 389.477 3.194 20 5 GGBDRO CC(C)NC(=O)c1ccc(NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000151973735 1418109565 /nfs/dbraw/zinc/10/95/65/1418109565.db2.gz SLJSDZQQXSQYEY-HZPDHXFCSA-N 1 0 392.500 3.034 20 5 GGBDRO O=C1c2ccccc2C(=O)N1CCCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000152220679 1418176472 /nfs/dbraw/zinc/17/64/72/1418176472.db2.gz DMRZPEPWEOMLEF-UHFFFAOYSA-N 1 0 387.823 3.414 20 5 GGBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cccc1[N+](=O)[O-] ZINC000152247982 1418184344 /nfs/dbraw/zinc/18/43/44/1418184344.db2.gz QCUBDCTWRMWBPA-OAHLLOKOSA-N 1 0 398.467 3.107 20 5 GGBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)C1 ZINC000179025138 1429244825 /nfs/dbraw/zinc/24/48/25/1429244825.db2.gz IPUBFICVUNYSHH-CQSZACIVSA-N 1 0 385.420 3.077 20 5 GGBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)C1 ZINC000179025126 1429244875 /nfs/dbraw/zinc/24/48/75/1429244875.db2.gz IPUBFICVUNYSHH-AWEZNQCLSA-N 1 0 385.420 3.077 20 5 GGBDRO CN(C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000179080991 1429256671 /nfs/dbraw/zinc/25/66/71/1429256671.db2.gz NKENCJORIXNIHN-HNNXBMFYSA-N 1 0 388.855 3.294 20 5 GGBDRO C[NH+](C)CCN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CCCCC1 ZINC000179270662 1429309798 /nfs/dbraw/zinc/30/97/98/1429309798.db2.gz XRNPLAOLGUCYBL-UHFFFAOYSA-N 1 0 385.468 3.117 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@@H](C4OCCO4)C3)cs2)c1 ZINC000179366304 1429346526 /nfs/dbraw/zinc/34/65/26/1429346526.db2.gz FZGAAUZQCFRRSM-CQSZACIVSA-N 1 0 375.450 3.303 20 5 GGBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(Cn3cncn3)cc2)cc1[N+](=O)[O-] ZINC000179396850 1429358310 /nfs/dbraw/zinc/35/83/10/1429358310.db2.gz YQBOGTJOCWTOOW-HNNXBMFYSA-N 1 0 381.436 3.484 20 5 GGBDRO CCOc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccccc2F)cc1[N+](=O)[O-] ZINC000179404952 1429360949 /nfs/dbraw/zinc/36/09/49/1429360949.db2.gz PANYTRRTRJADEV-ZDUSSCGKSA-N 1 0 375.400 3.213 20 5 GGBDRO CCOc1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccccc2F)cc1[N+](=O)[O-] ZINC000179404940 1429361366 /nfs/dbraw/zinc/36/13/66/1429361366.db2.gz PANYTRRTRJADEV-CYBMUJFWSA-N 1 0 375.400 3.213 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179516209 1429404795 /nfs/dbraw/zinc/40/47/95/1429404795.db2.gz JKSBOBSZAQYWQX-HNNXBMFYSA-N 1 0 398.467 3.107 20 5 GGBDRO CC1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)OCCO1 ZINC000179555456 1429429394 /nfs/dbraw/zinc/42/93/94/1429429394.db2.gz APBFEDIDNIAKNX-UHFFFAOYSA-N 1 0 394.431 3.300 20 5 GGBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000179555520 1429429895 /nfs/dbraw/zinc/42/98/95/1429429895.db2.gz LXLJASONJFBPDF-UHFFFAOYSA-N 1 0 385.468 3.117 20 5 GGBDRO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccc(OC(F)F)c1 ZINC000179578986 1429449467 /nfs/dbraw/zinc/44/94/67/1429449467.db2.gz UXFADTBVYCBYAP-GFCCVEGCSA-N 1 0 391.374 3.436 20 5 GGBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)c([N+](=O)[O-])c1 ZINC000179597679 1429462984 /nfs/dbraw/zinc/46/29/84/1429462984.db2.gz AXSNOGOWSVLSFF-NSHDSACASA-N 1 0 395.362 3.494 20 5 GGBDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(OC(F)F)cc1 ZINC000179607132 1429468690 /nfs/dbraw/zinc/46/86/90/1429468690.db2.gz JHTYVXACUHOXKN-GFCCVEGCSA-N 1 0 391.374 3.436 20 5 GGBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1 ZINC000179616291 1429472352 /nfs/dbraw/zinc/47/23/52/1429472352.db2.gz HMZCRYTZKSTDHZ-LLVKDONJSA-N 1 0 395.362 3.494 20 5 GGBDRO COc1cc(C)c([C@@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000179629118 1429479236 /nfs/dbraw/zinc/47/92/36/1429479236.db2.gz KQIVNHBQTCYVLK-CQSZACIVSA-N 1 0 387.436 3.234 20 5 GGBDRO Cn1cc(C[N@H+](C)C[C@@H]2COc3ccccc3O2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179633211 1429481344 /nfs/dbraw/zinc/48/13/44/1429481344.db2.gz BWDXDLHBAQXTKU-GOSISDBHSA-N 1 0 394.431 3.267 20 5 GGBDRO Cc1c(C[NH2+][C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cccc1[N+](=O)[O-] ZINC000179655618 1429492373 /nfs/dbraw/zinc/49/23/73/1429492373.db2.gz ZSMXFWOFURJEAS-OAHLLOKOSA-N 1 0 383.448 3.411 20 5 GGBDRO COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000179665946 1429497953 /nfs/dbraw/zinc/49/79/53/1429497953.db2.gz HSTNTFSUKFBPIG-DOTOQJQBSA-N 1 0 396.875 3.191 20 5 GGBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000179712130 1429517803 /nfs/dbraw/zinc/51/78/03/1429517803.db2.gz QHPDQFSFGRCOMV-CQSZACIVSA-N 1 0 375.856 3.427 20 5 GGBDRO C[C@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000179731546 1429527065 /nfs/dbraw/zinc/52/70/65/1429527065.db2.gz QPWUQDRNNUYLBL-RNODOKPDSA-N 1 0 397.431 3.434 20 5 GGBDRO C[C@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[N@@H+]1CCc2ccccc2C1 ZINC000152438821 1422103460 /nfs/dbraw/zinc/10/34/60/1422103460.db2.gz GHMBQHQMGQJRIC-MRXNPFEDSA-N 1 0 394.475 3.109 20 5 GGBDRO C[C@@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000179742661 1429532683 /nfs/dbraw/zinc/53/26/83/1429532683.db2.gz XEFPWUIVXRIIRR-XCLFUZPHSA-N 1 0 397.431 3.434 20 5 GGBDRO C[C@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000179742611 1429532703 /nfs/dbraw/zinc/53/27/03/1429532703.db2.gz XEFPWUIVXRIIRR-RNODOKPDSA-N 1 0 397.431 3.434 20 5 GGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000152619272 1422170102 /nfs/dbraw/zinc/17/01/02/1422170102.db2.gz MICNXMQYAWSUPZ-HNNXBMFYSA-N 1 0 391.855 3.201 20 5 GGBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](CCCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000179756517 1429542050 /nfs/dbraw/zinc/54/20/50/1429542050.db2.gz XDDYTUSIKHIQBW-KRWDZBQOSA-N 1 0 387.436 3.035 20 5 GGBDRO O=C(C[NH2+][C@@H](CCCO)c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000179756579 1429542097 /nfs/dbraw/zinc/54/20/97/1429542097.db2.gz VJCSMNZJKBEKAT-HNNXBMFYSA-N 1 0 377.828 3.290 20 5 GGBDRO O=C(C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000179759948 1429545068 /nfs/dbraw/zinc/54/50/68/1429545068.db2.gz QFCHGSHMOUFCHK-FQEVSTJZSA-N 1 0 383.404 3.045 20 5 GGBDRO COc1cc(C[NH2+]C[C@@]2(C)CCCO2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000152943891 1422303474 /nfs/dbraw/zinc/30/34/74/1422303474.db2.gz OQJFVSTXTFFFAY-OAHLLOKOSA-N 1 0 378.347 3.203 20 5 GGBDRO COc1cc(C[NH2+]C[C@]2(C)CCCO2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000152943963 1422303859 /nfs/dbraw/zinc/30/38/59/1422303859.db2.gz OQJFVSTXTFFFAY-HNNXBMFYSA-N 1 0 378.347 3.203 20 5 GGBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000179762938 1429546795 /nfs/dbraw/zinc/54/67/95/1429546795.db2.gz OCONQBULHMPAPU-ZDUSSCGKSA-N 1 0 382.420 3.233 20 5 GGBDRO CC1CCC([N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]2CCCO2)CC1 ZINC000152977299 1422314196 /nfs/dbraw/zinc/31/41/96/1422314196.db2.gz FXZMCBOZCGZJBO-IUPXNIOVSA-N 1 0 375.469 3.253 20 5 GGBDRO O=C(Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000153006952 1422323943 /nfs/dbraw/zinc/32/39/43/1422323943.db2.gz DOQUAKRHZWZJDT-IBGZPJMESA-N 1 0 391.431 3.491 20 5 GGBDRO O=C(Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000153019042 1422327979 /nfs/dbraw/zinc/32/79/79/1422327979.db2.gz KWMMSOBTVZEEKR-KRWDZBQOSA-N 1 0 391.431 3.491 20 5 GGBDRO O=C(Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000153059123 1422343111 /nfs/dbraw/zinc/34/31/11/1422343111.db2.gz LABFAYZXQOJGIU-IBGZPJMESA-N 1 0 391.431 3.491 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCN(c4cccc(O)c4)CC3)o2)c1 ZINC000153066426 1422345349 /nfs/dbraw/zinc/34/53/49/1422345349.db2.gz BWUJLKTVKDWGIH-UHFFFAOYSA-N 1 0 394.431 3.320 20 5 GGBDRO C[C@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000179767786 1429550448 /nfs/dbraw/zinc/55/04/48/1429550448.db2.gz MUNJHWMAABRILO-HNNXBMFYSA-N 1 0 382.464 3.465 20 5 GGBDRO C[C@@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000179767800 1429550539 /nfs/dbraw/zinc/55/05/39/1429550539.db2.gz MUNJHWMAABRILO-OAHLLOKOSA-N 1 0 382.464 3.465 20 5 GGBDRO Cc1c([C@@H](C)[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000153109763 1422359700 /nfs/dbraw/zinc/35/97/00/1422359700.db2.gz LLIPOMYZBFUKSL-CQSZACIVSA-N 1 0 378.450 3.036 20 5 GGBDRO Cn1cc(CN2CCC[N@@H+](C3CCCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179768843 1429551241 /nfs/dbraw/zinc/55/12/41/1429551241.db2.gz DRWKKWFRLXMIMX-UHFFFAOYSA-N 1 0 383.496 3.446 20 5 GGBDRO CCC[N@H+](CC)CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000153255383 1422422153 /nfs/dbraw/zinc/42/21/53/1422422153.db2.gz DIQFBWIPUYNFPP-UHFFFAOYSA-N 1 0 392.681 3.472 20 5 GGBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@H](O)COc2cccc3[nH]ccc32)C2CC2)c1 ZINC000153322058 1422469045 /nfs/dbraw/zinc/46/90/45/1422469045.db2.gz KEGUWYACRQCIAT-SFHVURJKSA-N 1 0 381.432 3.480 20 5 GGBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153365728 1422497628 /nfs/dbraw/zinc/49/76/28/1422497628.db2.gz QTMAFSYKEVUPFM-BEFAXECRSA-N 1 0 384.480 3.258 20 5 GGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000153372097 1422502142 /nfs/dbraw/zinc/50/21/42/1422502142.db2.gz AVYHBWMMSKXVJB-CXAGYDPISA-N 1 0 375.494 3.406 20 5 GGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000153633617 1422661609 /nfs/dbraw/zinc/66/16/09/1422661609.db2.gz LQPBCOANBVOFLY-JSGCOSHPSA-N 1 0 396.390 3.362 20 5 GGBDRO CN(c1ncc(Cl)cc1[N+](=O)[O-])C1CC[NH+](CCc2ccccn2)CC1 ZINC000153656787 1422682907 /nfs/dbraw/zinc/68/29/07/1422682907.db2.gz GXKNXNQOOUPQLV-UHFFFAOYSA-N 1 0 375.860 3.182 20 5 GGBDRO O=[N+]([O-])c1cc(Cl)cnc1NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000153712541 1422716169 /nfs/dbraw/zinc/71/61/69/1422716169.db2.gz PAQLDJOFFCTZOO-UHFFFAOYSA-N 1 0 376.844 3.212 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000153790139 1422759756 /nfs/dbraw/zinc/75/97/56/1422759756.db2.gz HTMGHRURHWZQAC-WBVHZDCISA-N 1 0 378.473 3.162 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)NCC[NH2+]C(C)(C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000153822060 1422779890 /nfs/dbraw/zinc/77/98/90/1422779890.db2.gz MPCVOSRDCZTXBI-CQSZACIVSA-N 1 0 385.468 3.281 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000153840867 1422792449 /nfs/dbraw/zinc/79/24/49/1422792449.db2.gz CGBMJXHJXHYDOJ-WMZOPIPTSA-N 1 0 395.525 3.011 20 5 GGBDRO Cc1cc(NC(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000153842317 1422793703 /nfs/dbraw/zinc/79/37/03/1422793703.db2.gz ILXKPLGHWIRVBX-HZPDHXFCSA-N 1 0 390.484 3.256 20 5 GGBDRO CCO[C@@H]1C[C@H]([N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C12CCC2 ZINC000153959193 1422817466 /nfs/dbraw/zinc/81/74/66/1422817466.db2.gz NINHBZNCVKKBRB-ZWKOTPCHSA-N 1 0 389.452 3.172 20 5 GGBDRO CCOCc1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1OC ZINC000179818197 1429590848 /nfs/dbraw/zinc/59/08/48/1429590848.db2.gz VXFRAXOCRNBYAX-QGZVFWFLSA-N 1 0 386.452 3.221 20 5 GGBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000154085096 1422837855 /nfs/dbraw/zinc/83/78/55/1422837855.db2.gz JWURMVMERXTYLA-KDOFPFPSSA-N 1 0 375.494 3.162 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000154090203 1422838943 /nfs/dbraw/zinc/83/89/43/1422838943.db2.gz GXDWGRXLECEATQ-UHFFFAOYSA-N 1 0 375.469 3.332 20 5 GGBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000154140515 1422845773 /nfs/dbraw/zinc/84/57/73/1422845773.db2.gz DJBCBCJTNMEYRM-AWEZNQCLSA-N 1 0 392.477 3.389 20 5 GGBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000154161491 1422848870 /nfs/dbraw/zinc/84/88/70/1422848870.db2.gz JLXAAZOIMFYWSO-SFHVURJKSA-N 1 0 399.495 3.236 20 5 GGBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccc(OC)cc1 ZINC000154215044 1422856581 /nfs/dbraw/zinc/85/65/81/1422856581.db2.gz IVVTWRGZJBJTHF-UHFFFAOYSA-N 1 0 387.436 3.463 20 5 GGBDRO CCOc1ccc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000154245211 1422861022 /nfs/dbraw/zinc/86/10/22/1422861022.db2.gz ORPGVYZINUSPHB-KRWDZBQOSA-N 1 0 375.400 3.165 20 5 GGBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)CC[C@@H]21 ZINC000154254558 1422862521 /nfs/dbraw/zinc/86/25/21/1422862521.db2.gz WCFSFRJNFOGHJU-PBHICJAKSA-N 1 0 386.477 3.275 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)cc1OC ZINC000154340576 1422875379 /nfs/dbraw/zinc/87/53/79/1422875379.db2.gz OMXFHEMZCFNTCU-OAHLLOKOSA-N 1 0 393.484 3.242 20 5 GGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)c1 ZINC000154497602 1422897147 /nfs/dbraw/zinc/89/71/47/1422897147.db2.gz YLJBRCBCBLFQCM-GOSISDBHSA-N 1 0 384.432 3.459 20 5 GGBDRO C[NH+](C)Cc1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1F ZINC000154567910 1422936314 /nfs/dbraw/zinc/93/63/14/1422936314.db2.gz ARASYZQOEGYDRM-UHFFFAOYSA-N 1 0 379.819 3.308 20 5 GGBDRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154640409 1422978601 /nfs/dbraw/zinc/97/86/01/1422978601.db2.gz VAPLUXGFNXAAAA-KYJSFNMBSA-N 1 0 393.484 3.253 20 5 GGBDRO COc1ccc([C@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)N2CCOCC2)cc1 ZINC000154962381 1423092275 /nfs/dbraw/zinc/09/22/75/1423092275.db2.gz OVMXYZOSSOMRBN-IERDGZPVSA-N 1 0 385.464 3.328 20 5 GGBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000154975950 1423097224 /nfs/dbraw/zinc/09/72/24/1423097224.db2.gz NEWIAPZSJMKEER-UHFFFAOYSA-N 1 0 390.827 3.391 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000179857639 1429612722 /nfs/dbraw/zinc/61/27/22/1429612722.db2.gz TWILEJFWWPYQDR-QZTJIDSGSA-N 1 0 389.496 3.018 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000179857651 1429612871 /nfs/dbraw/zinc/61/28/71/1429612871.db2.gz TWILEJFWWPYQDR-ZWKOTPCHSA-N 1 0 389.496 3.018 20 5 GGBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000155157875 1423202113 /nfs/dbraw/zinc/20/21/13/1423202113.db2.gz IZMMNJQGLSGVMI-LBPRGKRZSA-N 1 0 399.289 3.457 20 5 GGBDRO COc1cc(CN2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179886433 1429625129 /nfs/dbraw/zinc/62/51/29/1429625129.db2.gz FHNZDJAGMJPJDI-UHFFFAOYSA-N 1 0 387.427 3.021 20 5 GGBDRO Cc1ccc([C@@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)[NH+](C)C)cc1 ZINC000155209798 1423247690 /nfs/dbraw/zinc/24/76/90/1423247690.db2.gz IUBGJWLPWNTRQO-HXUWFJFHSA-N 1 0 382.464 3.274 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000155258243 1423281563 /nfs/dbraw/zinc/28/15/63/1423281563.db2.gz NJPFIRPFXKTLEQ-HNNXBMFYSA-N 1 0 393.447 3.208 20 5 GGBDRO COc1ccc([C@H]2CC[N@H+](CCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])C2)cc1 ZINC000155339998 1423324660 /nfs/dbraw/zinc/32/46/60/1423324660.db2.gz YUZXTHRKPXSQOG-INIZCTEOSA-N 1 0 399.447 3.430 20 5 GGBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@@H]21 ZINC000155371243 1423337722 /nfs/dbraw/zinc/33/77/22/1423337722.db2.gz YISQQSYARDEXQU-PBHICJAKSA-N 1 0 386.477 3.275 20 5 GGBDRO Cc1cc(F)cc(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000155483591 1423382302 /nfs/dbraw/zinc/38/23/02/1423382302.db2.gz BVFCBKARLZFMTP-AWEZNQCLSA-N 1 0 386.427 3.393 20 5 GGBDRO CN1CCC([N@H+](CCO)Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000155493293 1423385337 /nfs/dbraw/zinc/38/53/37/1423385337.db2.gz WHEUETREBDOVMG-UHFFFAOYSA-N 1 0 375.494 3.212 20 5 GGBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H](CNC(C)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000155567819 1423422825 /nfs/dbraw/zinc/42/28/25/1423422825.db2.gz MOQOCTLRXGWXBT-OAHLLOKOSA-N 1 0 387.436 3.212 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1cc(F)ccc1OC ZINC000179918896 1429640635 /nfs/dbraw/zinc/64/06/35/1429640635.db2.gz MMUBYUQEMYNHGQ-LBPRGKRZSA-N 1 0 391.399 3.431 20 5 GGBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000155642030 1423463872 /nfs/dbraw/zinc/46/38/72/1423463872.db2.gz GFTSGVAGHFYRGF-RRGWEWPQSA-N 1 0 380.448 3.345 20 5 GGBDRO Cc1c(CC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000155701092 1423494237 /nfs/dbraw/zinc/49/42/37/1423494237.db2.gz JSKZDDXSMVPDDX-MRXNPFEDSA-N 1 0 382.464 3.183 20 5 GGBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)CC[C@@H]21 ZINC000155706267 1423496753 /nfs/dbraw/zinc/49/67/53/1423496753.db2.gz HCOGSXYSBPZVQE-PXNSSMCTSA-N 1 0 389.499 3.097 20 5 GGBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2cc(F)ccc2OC)c([N+](=O)[O-])c1 ZINC000179932065 1429648779 /nfs/dbraw/zinc/64/87/79/1429648779.db2.gz ACCBVWGROSKRAI-GFCCVEGCSA-N 1 0 391.399 3.431 20 5 GGBDRO COc1cc(CN(C)C[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179938685 1429652829 /nfs/dbraw/zinc/65/28/29/1429652829.db2.gz HTELMMWOPUJCRQ-ZDUSSCGKSA-N 1 0 387.427 3.021 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000155950627 1423606995 /nfs/dbraw/zinc/60/69/95/1423606995.db2.gz PYBGGLFBANRBTL-HXUWFJFHSA-N 1 0 383.448 3.115 20 5 GGBDRO O=[N+]([O-])c1cc(C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)c2c(c1)COCO2 ZINC000156022303 1423637580 /nfs/dbraw/zinc/63/75/80/1423637580.db2.gz LJXCQWUWXKHDOZ-HXUWFJFHSA-N 1 0 384.432 3.234 20 5 GGBDRO CCCN(C(=O)c1c([N+](=O)[O-])c(C)nn1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000156063882 1423657466 /nfs/dbraw/zinc/65/74/66/1423657466.db2.gz LYLPAEPBAZFQIX-GOSISDBHSA-N 1 0 399.495 3.154 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1cc(F)ccc1OC ZINC000179960126 1429663559 /nfs/dbraw/zinc/66/35/59/1429663559.db2.gz MVSMOJRWKCTXHD-LBPRGKRZSA-N 1 0 391.399 3.431 20 5 GGBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000156170988 1423705348 /nfs/dbraw/zinc/70/53/48/1423705348.db2.gz IWBARZBKPNJDBM-VYDXJSESSA-N 1 0 397.479 3.362 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(F)cc1 ZINC000156410210 1423806840 /nfs/dbraw/zinc/80/68/40/1423806840.db2.gz ZAXAGSJFSWPTGU-IBGZPJMESA-N 1 0 384.411 3.177 20 5 GGBDRO COC(=O)CC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCOCC1 ZINC000179986142 1429675520 /nfs/dbraw/zinc/67/55/20/1429675520.db2.gz FDZVUSLPHYKNDJ-UHFFFAOYSA-N 1 0 388.420 3.399 20 5 GGBDRO COC(=O)CC[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CCOCC1 ZINC000179986752 1429676889 /nfs/dbraw/zinc/67/68/89/1429676889.db2.gz YURXLHQJWIMBIL-UHFFFAOYSA-N 1 0 388.420 3.399 20 5 GGBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000179991324 1429679294 /nfs/dbraw/zinc/67/92/94/1429679294.db2.gz LZARPWFONDOJRX-UHFFFAOYSA-N 1 0 379.363 3.188 20 5 GGBDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CCOc3cccc([N+](=O)[O-])c3)ccc2NC1=O ZINC000180011251 1429690817 /nfs/dbraw/zinc/69/08/17/1429690817.db2.gz MTZJYEXYDRVCMH-ACJLOTCBSA-N 1 0 385.420 3.434 20 5 GGBDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]CCOc3cccc([N+](=O)[O-])c3)ccc2NC1=O ZINC000180011276 1429690378 /nfs/dbraw/zinc/69/03/78/1429690378.db2.gz MTZJYEXYDRVCMH-UGSOOPFHSA-N 1 0 385.420 3.434 20 5 GGBDRO O=C(CN1CCC[C@H]([NH+]2CCCC2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000157486818 1424021705 /nfs/dbraw/zinc/02/17/05/1424021705.db2.gz PFHZIFUUPIDBGA-HNNXBMFYSA-N 1 0 380.876 3.137 20 5 GGBDRO O=C(CN1CCC[C@@H]([NH+]2CCCC2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000157486965 1424021738 /nfs/dbraw/zinc/02/17/38/1424021738.db2.gz PFHZIFUUPIDBGA-OAHLLOKOSA-N 1 0 380.876 3.137 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000157651707 1424058018 /nfs/dbraw/zinc/05/80/18/1424058018.db2.gz MXWWIBHUXHHVLR-KRWDZBQOSA-N 1 0 389.496 3.477 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N[C@H]3CCC[C@@H]3C[NH3+])cc2[N+](=O)[O-])n1 ZINC000157780883 1424086518 /nfs/dbraw/zinc/08/65/18/1424086518.db2.gz AYMLAFSQPJZQFQ-OLZOCXBDSA-N 1 0 392.506 3.368 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N[C@H]3CCC[C@H]3C[NH3+])cc2[N+](=O)[O-])n1 ZINC000157781180 1424086531 /nfs/dbraw/zinc/08/65/31/1424086531.db2.gz AYMLAFSQPJZQFQ-STQMWFEESA-N 1 0 392.506 3.368 20 5 GGBDRO Cn1cc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000157805851 1424092048 /nfs/dbraw/zinc/09/20/48/1424092048.db2.gz RQUJMEZMJUFSFQ-FQEVSTJZSA-N 1 0 384.411 3.132 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C)C1 ZINC000157822502 1424096358 /nfs/dbraw/zinc/09/63/58/1424096358.db2.gz NNLXLLIZVPZHKV-CJNGLKHVSA-N 1 0 383.876 3.115 20 5 GGBDRO COc1ccccc1[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000157859129 1424105887 /nfs/dbraw/zinc/10/58/87/1424105887.db2.gz OHRAUNOHTDWOTQ-OAHLLOKOSA-N 1 0 399.447 3.430 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000158686273 1424319706 /nfs/dbraw/zinc/31/97/06/1424319706.db2.gz QVHBYGLRRFGPDO-QFIPXVFZSA-N 1 0 395.459 3.406 20 5 GGBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000158926475 1424373577 /nfs/dbraw/zinc/37/35/77/1424373577.db2.gz CIFNVPJIKBPBOO-UHFFFAOYSA-N 1 0 399.488 3.011 20 5 GGBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000158947084 1424379681 /nfs/dbraw/zinc/37/96/81/1424379681.db2.gz OLBUFXOIDBZMCA-UHFFFAOYSA-N 1 0 395.525 3.180 20 5 GGBDRO COc1cccc([C@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000159098728 1424417326 /nfs/dbraw/zinc/41/73/26/1424417326.db2.gz IMBKLRGCAVOGGU-IBGZPJMESA-N 1 0 387.411 3.309 20 5 GGBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000159294438 1424476128 /nfs/dbraw/zinc/47/61/28/1424476128.db2.gz LJEQYPARQOLPRU-UHFFFAOYSA-N 1 0 384.480 3.479 20 5 GGBDRO COc1ccc([C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2C)[NH+]2CCCC2)cc1 ZINC000159433148 1424502192 /nfs/dbraw/zinc/50/21/92/1424502192.db2.gz IOPZCOQOSPKLPK-NRFANRHFSA-N 1 0 397.475 3.408 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000159509749 1424509289 /nfs/dbraw/zinc/50/92/89/1424509289.db2.gz QPAMAYLCTZFHAP-GASCZTMLSA-N 1 0 397.431 3.362 20 5 GGBDRO CCC[C@@H]1CN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC[N@@H+]1CCOC ZINC000159766245 1424531926 /nfs/dbraw/zinc/53/19/26/1424531926.db2.gz JMFVJPCARRLJDY-OAHLLOKOSA-N 1 0 394.497 3.262 20 5 GGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000159777001 1424533556 /nfs/dbraw/zinc/53/35/56/1424533556.db2.gz NOZVQFBKGISPDR-NRFANRHFSA-N 1 0 375.428 3.404 20 5 GGBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159828423 1424540727 /nfs/dbraw/zinc/54/07/27/1424540727.db2.gz VOYQZJPEMWWANU-UHFFFAOYSA-N 1 0 386.496 3.189 20 5 GGBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000160140303 1424579211 /nfs/dbraw/zinc/57/92/11/1424579211.db2.gz WRSNGZXAVVSOHY-UHFFFAOYSA-N 1 0 396.491 3.410 20 5 GGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000160275527 1424592285 /nfs/dbraw/zinc/59/22/85/1424592285.db2.gz VLANNFANOUGMTL-IAGOWNOFSA-N 1 0 376.501 3.195 20 5 GGBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000160614171 1424619003 /nfs/dbraw/zinc/61/90/03/1424619003.db2.gz QVCUISLGNOKMQN-OAHLLOKOSA-N 1 0 388.855 3.294 20 5 GGBDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000160707515 1424628973 /nfs/dbraw/zinc/62/89/73/1424628973.db2.gz KULJCDACCXPGEO-AWEZNQCLSA-N 1 0 375.812 3.474 20 5 GGBDRO O=C(c1cccn1C1CC[NH2+]CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160917499 1424643970 /nfs/dbraw/zinc/64/39/70/1424643970.db2.gz WVJYLFGUZBWLMG-UHFFFAOYSA-N 1 0 398.463 3.004 20 5 GGBDRO C[C@@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000160914083 1424644198 /nfs/dbraw/zinc/64/41/98/1424644198.db2.gz UDQRSGUFSBGKAM-QRWLVFNGSA-N 1 0 383.448 3.301 20 5 GGBDRO C[C@@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000160914290 1424644476 /nfs/dbraw/zinc/64/44/76/1424644476.db2.gz UDQRSGUFSBGKAM-FOIQADDNSA-N 1 0 383.448 3.301 20 5 GGBDRO CCN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000161011932 1424652072 /nfs/dbraw/zinc/65/20/72/1424652072.db2.gz QBKAWVRLZNBKDZ-OAQYLSRUSA-N 1 0 396.491 3.443 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161326574 1424678619 /nfs/dbraw/zinc/67/86/19/1424678619.db2.gz BOYJEVKEEHMRFP-UONOGXRCSA-N 1 0 385.420 3.395 20 5 GGBDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000161438585 1424688572 /nfs/dbraw/zinc/68/85/72/1424688572.db2.gz MROAZFMHUVSUQP-KBPBESRZSA-N 1 0 377.466 3.223 20 5 GGBDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000161446369 1424690081 /nfs/dbraw/zinc/69/00/81/1424690081.db2.gz HKPBXWJYEJFDGR-KGLIPLIRSA-N 1 0 377.466 3.223 20 5 GGBDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000161445961 1424690816 /nfs/dbraw/zinc/69/08/16/1424690816.db2.gz HKPBXWJYEJFDGR-UONOGXRCSA-N 1 0 377.466 3.223 20 5 GGBDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000161438695 1424690834 /nfs/dbraw/zinc/69/08/34/1424690834.db2.gz MROAZFMHUVSUQP-ZIAGYGMSSA-N 1 0 377.466 3.223 20 5 GGBDRO COc1cc(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000161457128 1424692309 /nfs/dbraw/zinc/69/23/09/1424692309.db2.gz HYNMDHAUCKVFFB-UHFFFAOYSA-N 1 0 375.469 3.376 20 5 GGBDRO CC[NH+]1CCN(Cc2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3C)cc2)CC1 ZINC000161494333 1424695730 /nfs/dbraw/zinc/69/57/30/1424695730.db2.gz BONPRRKMNRKYQT-UHFFFAOYSA-N 1 0 396.491 3.222 20 5 GGBDRO C[C@@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000161554561 1424709240 /nfs/dbraw/zinc/70/92/40/1424709240.db2.gz DHUUEZOXTOTWHG-ZIAGYGMSSA-N 1 0 377.466 3.257 20 5 GGBDRO CCOC(=O)CC[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000161869458 1424783615 /nfs/dbraw/zinc/78/36/15/1424783615.db2.gz BSNQNFUSKKRTJR-MRXNPFEDSA-N 1 0 391.468 3.287 20 5 GGBDRO O=C(c1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000161926717 1424799348 /nfs/dbraw/zinc/79/93/48/1424799348.db2.gz IBHGVUMSFZXJIE-OXQOHEQNSA-N 1 0 398.507 3.284 20 5 GGBDRO CCOC(=O)CC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000162094845 1424815650 /nfs/dbraw/zinc/81/56/50/1424815650.db2.gz GQRBJPGOKYNIPR-MRXNPFEDSA-N 1 0 391.468 3.287 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)Cc1ccccc1 ZINC000162469556 1424856431 /nfs/dbraw/zinc/85/64/31/1424856431.db2.gz XRGASIOOQNVZMT-OAQYLSRUSA-N 1 0 396.491 3.442 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000162529778 1424862288 /nfs/dbraw/zinc/86/22/88/1424862288.db2.gz HNKZIDZLXUSAHG-HZPDHXFCSA-N 1 0 390.484 3.256 20 5 GGBDRO Cn1ccnc1C(=O)c1ccc(N2CCC(CCC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000162721551 1424885363 /nfs/dbraw/zinc/88/53/63/1424885363.db2.gz YCQXYJPDYQLXBC-UHFFFAOYSA-N 1 0 399.495 3.118 20 5 GGBDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000163163284 1424951575 /nfs/dbraw/zinc/95/15/75/1424951575.db2.gz UFBPBLVYYTZKMX-HNNXBMFYSA-N 1 0 391.493 3.476 20 5 GGBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000163457893 1425002539 /nfs/dbraw/zinc/00/25/39/1425002539.db2.gz BPDLSZQETNTRSY-UHFFFAOYSA-N 1 0 385.468 3.023 20 5 GGBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000163456060 1425002601 /nfs/dbraw/zinc/00/26/01/1425002601.db2.gz JPEOBCLQSZZRJT-UHFFFAOYSA-N 1 0 395.809 3.335 20 5 GGBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@@H]21 ZINC000163565345 1425018567 /nfs/dbraw/zinc/01/85/67/1425018567.db2.gz JSWNKIMHCFMCDW-FZMZJTMJSA-N 1 0 384.383 3.144 20 5 GGBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccc2c(c1)OCO2 ZINC000164384372 1425105889 /nfs/dbraw/zinc/10/58/89/1425105889.db2.gz FWMRNINHWMHVBR-UHFFFAOYSA-N 1 0 385.420 3.483 20 5 GGBDRO CN(C)C(=O)c1cccc(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000165087721 1425163608 /nfs/dbraw/zinc/16/36/08/1425163608.db2.gz PTLBOYAMWBLYSS-FQEVSTJZSA-N 1 0 381.476 3.450 20 5 GGBDRO CCc1ccc([C@H](COC)[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000165248745 1425172350 /nfs/dbraw/zinc/17/23/50/1425172350.db2.gz SCHDFAFCXYBWTN-DYVFJYSZSA-N 1 0 375.425 3.445 20 5 GGBDRO CCc1ccc([C@H](COC)[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000165248492 1425172474 /nfs/dbraw/zinc/17/24/74/1425172474.db2.gz SCHDFAFCXYBWTN-GUYCJALGSA-N 1 0 375.425 3.445 20 5 GGBDRO CCc1nn(C)c(CC)c1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000169278067 1425244511 /nfs/dbraw/zinc/24/45/11/1425244511.db2.gz IZEAXWFFHPAOLB-UHFFFAOYSA-N 1 0 382.468 3.143 20 5 GGBDRO C[NH+]1CCN(Cc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)CC1 ZINC000170504422 1425263580 /nfs/dbraw/zinc/26/35/80/1425263580.db2.gz VHJOSYSHBNXJBQ-UHFFFAOYSA-N 1 0 388.855 3.248 20 5 GGBDRO Cc1ccc([C@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000170633705 1425268013 /nfs/dbraw/zinc/26/80/13/1425268013.db2.gz HSCJXJBBFVGACE-KRWDZBQOSA-N 1 0 387.436 3.218 20 5 GGBDRO CC1CC[NH+](C[C@H]2CCCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)C2)CC1 ZINC000170640103 1425271278 /nfs/dbraw/zinc/27/12/78/1425271278.db2.gz MFQHQFVPNJBBEA-MRXNPFEDSA-N 1 0 386.496 3.428 20 5 GGBDRO CN(C[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1)C(=O)OC(C)(C)C ZINC000170903461 1425386629 /nfs/dbraw/zinc/38/66/29/1425386629.db2.gz NYMTYZMQDIWUDT-AWEZNQCLSA-N 1 0 389.456 3.091 20 5 GGBDRO Cc1noc(C2CC[NH+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)n1 ZINC000170913681 1425388701 /nfs/dbraw/zinc/38/87/01/1425388701.db2.gz SFXOBXPZOKYGRG-UHFFFAOYSA-N 1 0 383.408 3.363 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000170971653 1425421272 /nfs/dbraw/zinc/42/12/72/1425421272.db2.gz VCALJRFNQRWQGK-UHFFFAOYSA-N 1 0 387.411 3.276 20 5 GGBDRO Cn1cc(C[NH2+]Cc2ccc3c(c2)OCCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171048924 1425454516 /nfs/dbraw/zinc/45/45/16/1425454516.db2.gz DSKPAMDUTHUQSB-UHFFFAOYSA-N 1 0 380.404 3.056 20 5 GGBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000171353707 1425634784 /nfs/dbraw/zinc/63/47/84/1425634784.db2.gz OXJIMJLNKAIYMJ-LJQANCHMSA-N 1 0 397.475 3.045 20 5 GGBDRO C[NH+](C)CCCOc1ccc(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)cc1 ZINC000171367435 1425643548 /nfs/dbraw/zinc/64/35/48/1425643548.db2.gz ASKCUJUKILQQPU-UHFFFAOYSA-N 1 0 398.463 3.422 20 5 GGBDRO CCc1n[nH]c(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000171399812 1425662106 /nfs/dbraw/zinc/66/21/06/1425662106.db2.gz YADVTJZHYRMJPH-AWEZNQCLSA-N 1 0 385.468 3.185 20 5 GGBDRO COc1cccc([C@@H](C)N2CCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3N)CC2)c1 ZINC000171483867 1425701264 /nfs/dbraw/zinc/70/12/64/1425701264.db2.gz QFRISYHPQWAQSJ-OAHLLOKOSA-N 1 0 398.463 3.013 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000171506572 1425707886 /nfs/dbraw/zinc/70/78/86/1425707886.db2.gz SORHCMKSFACLMA-QGZVFWFLSA-N 1 0 398.463 3.290 20 5 GGBDRO CCc1n[nH]c(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c1[N+](=O)[O-] ZINC000171679982 1425787039 /nfs/dbraw/zinc/78/70/39/1425787039.db2.gz CJAXLTPBNMWRBI-UHFFFAOYSA-N 1 0 385.468 3.186 20 5 GGBDRO CC[C@H]([NH2+]CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000171974382 1425865606 /nfs/dbraw/zinc/86/56/06/1425865606.db2.gz OWICIGGXFKVYSE-INIZCTEOSA-N 1 0 377.466 3.151 20 5 GGBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000171979647 1425866684 /nfs/dbraw/zinc/86/66/84/1425866684.db2.gz ZOYZWLRKWSRHKS-UHFFFAOYSA-N 1 0 399.495 3.365 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000172199625 1425943831 /nfs/dbraw/zinc/94/38/31/1425943831.db2.gz FFBFLIJLYIPBHM-LJQANCHMSA-N 1 0 398.463 3.067 20 5 GGBDRO O=C(CC1([NH+]2CCOCC2)CCCC1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000172415904 1426033382 /nfs/dbraw/zinc/03/33/82/1426033382.db2.gz RHXKJQUEIODOGT-UHFFFAOYSA-N 1 0 389.496 3.069 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000172694865 1426147256 /nfs/dbraw/zinc/14/72/56/1426147256.db2.gz QOEWGCNCACWDRV-KRWDZBQOSA-N 1 0 382.464 3.401 20 5 GGBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000172706051 1426151998 /nfs/dbraw/zinc/15/19/98/1426151998.db2.gz OYNHWFFRTOKXAO-HZPDHXFCSA-N 1 0 377.510 3.410 20 5 GGBDRO COc1ccc(CCC[N@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)cc1 ZINC000172897253 1426244456 /nfs/dbraw/zinc/24/44/56/1426244456.db2.gz LETTYRXAQYOADG-UHFFFAOYSA-N 1 0 381.436 3.384 20 5 GGBDRO COc1cccc([C@H](CNC(=O)c2cc(C)ccc2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000172956547 1426283436 /nfs/dbraw/zinc/28/34/36/1426283436.db2.gz LSSWNCLRZKEDHL-FQEVSTJZSA-N 1 0 383.448 3.479 20 5 GGBDRO C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(C)(C)C[NH+](C)C ZINC000173055553 1426325422 /nfs/dbraw/zinc/32/54/22/1426325422.db2.gz JXLMECXPOGVURZ-INIZCTEOSA-N 1 0 379.504 3.247 20 5 GGBDRO Cc1cccc(N2CC[NH+](CCCNC(=O)c3cc(C)ccc3[N+](=O)[O-])CC2)c1 ZINC000173074263 1426332020 /nfs/dbraw/zinc/33/20/20/1426332020.db2.gz YKXPKPRVNDECOH-UHFFFAOYSA-N 1 0 396.491 3.154 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000173075101 1426332516 /nfs/dbraw/zinc/33/25/16/1426332516.db2.gz IGHWYRTULYXVSR-CALCHBBNSA-N 1 0 397.475 3.442 20 5 GGBDRO CN(CC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000173132680 1426355715 /nfs/dbraw/zinc/35/57/15/1426355715.db2.gz KHQTWTISNFTPNV-KRWDZBQOSA-N 1 0 388.493 3.046 20 5 GGBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(c3ccc(Cl)cc3)CCCCC2)c1 ZINC000173281795 1426459008 /nfs/dbraw/zinc/45/90/08/1426459008.db2.gz DOXDHEYBTHVTRR-KRWDZBQOSA-N 1 0 378.860 3.255 20 5 GGBDRO COc1ccc(C[NH+]2CCC(CNC(=O)Cc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000173311963 1426495244 /nfs/dbraw/zinc/49/52/44/1426495244.db2.gz PBLZEJRVWZMGTK-UHFFFAOYSA-N 1 0 397.475 3.174 20 5 GGBDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173328582 1426510329 /nfs/dbraw/zinc/51/03/29/1426510329.db2.gz KORSSKGVJYJDHE-OAHLLOKOSA-N 1 0 389.477 3.230 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173333013 1426514310 /nfs/dbraw/zinc/51/43/10/1426514310.db2.gz ZVMDZTYZDMRXES-UONOGXRCSA-N 1 0 377.466 3.257 20 5 GGBDRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173350472 1426527793 /nfs/dbraw/zinc/52/77/93/1426527793.db2.gz BSYUHSUAKDVZCM-HNNXBMFYSA-N 1 0 391.493 3.475 20 5 GGBDRO C[C@@H]([NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173351721 1426528516 /nfs/dbraw/zinc/52/85/16/1426528516.db2.gz GMISJZIHWLNOIS-QRWLVFNGSA-N 1 0 383.448 3.354 20 5 GGBDRO COc1ccccc1CC(=O)N1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173367290 1426541087 /nfs/dbraw/zinc/54/10/87/1426541087.db2.gz NLODFQOYRSZAET-INIZCTEOSA-N 1 0 397.475 3.488 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000173388750 1426566883 /nfs/dbraw/zinc/56/68/83/1426566883.db2.gz CRCOKNBTVNVVFI-HXUWFJFHSA-N 1 0 383.448 3.214 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccccc1)[C@@H](CO)C(C)C ZINC000173412921 1426595738 /nfs/dbraw/zinc/59/57/38/1426595738.db2.gz YEMLKYOGRSQTBB-FQEVSTJZSA-N 1 0 385.464 3.361 20 5 GGBDRO CCN(CC)C(=O)C1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCCCC1 ZINC000173413697 1426596155 /nfs/dbraw/zinc/59/61/55/1426596155.db2.gz AOYIEDFOSDYTJO-UHFFFAOYSA-N 1 0 390.484 3.003 20 5 GGBDRO C[C@@H]([NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173429568 1426610993 /nfs/dbraw/zinc/61/09/93/1426610993.db2.gz CKSXEXAUMUKOCT-GOSISDBHSA-N 1 0 396.491 3.374 20 5 GGBDRO COC(=O)c1cc2cc(C[N@@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)ccc2o1 ZINC000173473098 1426647479 /nfs/dbraw/zinc/64/74/79/1426647479.db2.gz ROLXDYJSTDCIDL-HNNXBMFYSA-N 1 0 396.403 3.209 20 5 GGBDRO COc1ccc(OCC[N@H+](C)Cc2cnn(-c3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000173479248 1426653599 /nfs/dbraw/zinc/65/35/99/1426653599.db2.gz OGQYBKZBVLGYHV-UHFFFAOYSA-N 1 0 382.420 3.300 20 5 GGBDRO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000173520206 1426692799 /nfs/dbraw/zinc/69/27/99/1426692799.db2.gz PUEKQAXTRVONNE-KRWDZBQOSA-N 1 0 396.491 3.397 20 5 GGBDRO O=C(NCCC[NH+]1CCCCC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173528628 1426703166 /nfs/dbraw/zinc/70/31/66/1426703166.db2.gz YQIAFRRPCBPAJU-UHFFFAOYSA-N 1 0 390.484 3.024 20 5 GGBDRO O=[N+]([O-])c1ccnn1CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000173553483 1426726153 /nfs/dbraw/zinc/72/61/53/1426726153.db2.gz FBSLUKQIVMFCHC-INIZCTEOSA-N 1 0 397.401 3.135 20 5 GGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173601230 1426771005 /nfs/dbraw/zinc/77/10/05/1426771005.db2.gz YXZKBCGIKHQYJV-LSDHHAIUSA-N 1 0 394.903 3.383 20 5 GGBDRO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000173621533 1426800815 /nfs/dbraw/zinc/80/08/15/1426800815.db2.gz ZYGOHOBMFVCTKC-SJKOYZFVSA-N 1 0 398.385 3.397 20 5 GGBDRO C[NH+](C)Cc1ccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000173641115 1426806901 /nfs/dbraw/zinc/80/69/01/1426806901.db2.gz OBMFWYFWZRZDCE-UHFFFAOYSA-N 1 0 383.448 3.340 20 5 GGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000173651729 1426810884 /nfs/dbraw/zinc/81/08/84/1426810884.db2.gz MTKGJUNTXUAXAC-WMZOPIPTSA-N 1 0 383.448 3.461 20 5 GGBDRO Cc1cc(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)c(N)c([N+](=O)[O-])c1 ZINC000173705901 1426827356 /nfs/dbraw/zinc/82/73/56/1426827356.db2.gz ZWSRZHXBDSBGBW-UHFFFAOYSA-N 1 0 392.843 3.332 20 5 GGBDRO CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000173708416 1426827717 /nfs/dbraw/zinc/82/77/17/1426827717.db2.gz ZZWBJIXRKVXJAD-QGZVFWFLSA-N 1 0 398.419 3.240 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(C(F)(F)F)CC1 ZINC000173772958 1426846625 /nfs/dbraw/zinc/84/66/25/1426846625.db2.gz YVNJJQASJYRVNO-UHFFFAOYSA-N 1 0 375.347 3.206 20 5 GGBDRO CN(CC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000173825225 1426861299 /nfs/dbraw/zinc/86/12/99/1426861299.db2.gz OZTQEWIVOFSGMC-UHFFFAOYSA-N 1 0 396.491 3.059 20 5 GGBDRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000173899564 1426885096 /nfs/dbraw/zinc/88/50/96/1426885096.db2.gz MAIPCPNCXFTMMN-FPOVZHCZSA-N 1 0 385.464 3.238 20 5 GGBDRO CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC1CCN(c2ccccn2)CC1 ZINC000173972318 1426917453 /nfs/dbraw/zinc/91/74/53/1426917453.db2.gz FDUSETFOYNLZAA-UHFFFAOYSA-N 1 0 397.479 3.167 20 5 GGBDRO CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173974986 1426920149 /nfs/dbraw/zinc/92/01/49/1426920149.db2.gz DWZZOYMGOQHKLU-LJQANCHMSA-N 1 0 396.491 3.012 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1CN1CCc2c(cccc2N2CCOC2=O)C1 ZINC000174060449 1426980177 /nfs/dbraw/zinc/98/01/77/1426980177.db2.gz WYCDWSUQQDYLCL-UHFFFAOYSA-N 1 0 383.404 3.118 20 5 GGBDRO Cc1cccc(N2CC[NH+](CCC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000174062545 1426981794 /nfs/dbraw/zinc/98/17/94/1426981794.db2.gz YXNYVTVPAIICFU-GOSISDBHSA-N 1 0 396.491 3.293 20 5 GGBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1 ZINC000174130558 1427015149 /nfs/dbraw/zinc/01/51/49/1427015149.db2.gz OSLZHROGNJHXQW-GOSISDBHSA-N 1 0 388.512 3.387 20 5 GGBDRO CC[NH+](CC)[C@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000174151236 1427022656 /nfs/dbraw/zinc/02/26/56/1427022656.db2.gz GBDYLFUPXHBXMH-KRWDZBQOSA-N 1 0 377.488 3.097 20 5 GGBDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000174179796 1427035025 /nfs/dbraw/zinc/03/50/25/1427035025.db2.gz NNEYJWGJAZTGPX-UHFFFAOYSA-N 1 0 399.451 3.389 20 5 GGBDRO CN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000174210458 1427052676 /nfs/dbraw/zinc/05/26/76/1427052676.db2.gz JXWNELXBIDKZKU-FQEVSTJZSA-N 1 0 382.464 3.401 20 5 GGBDRO CCc1ccc(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1[N+](=O)[O-] ZINC000174234765 1427062798 /nfs/dbraw/zinc/06/27/98/1427062798.db2.gz RQMZFXLUMCOKEU-UHFFFAOYSA-N 1 0 397.475 3.044 20 5 GGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000174247495 1427068575 /nfs/dbraw/zinc/06/85/75/1427068575.db2.gz PAYUFCBRQXKDSU-UHFFFAOYSA-N 1 0 387.392 3.425 20 5 GGBDRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000174376488 1427127674 /nfs/dbraw/zinc/12/76/74/1427127674.db2.gz SEXNJFXUVFQHIL-GJZGRUSLSA-N 1 0 379.420 3.458 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000174376513 1427127951 /nfs/dbraw/zinc/12/79/51/1427127951.db2.gz SEXNJFXUVFQHIL-LSDHHAIUSA-N 1 0 379.420 3.458 20 5 GGBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(-n2cccn2)cc1 ZINC000174435854 1427155673 /nfs/dbraw/zinc/15/56/73/1427155673.db2.gz POFHJQOCSUZBTA-AWEZNQCLSA-N 1 0 380.404 3.498 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCCOC3CCOCC3)cs2)c1 ZINC000174462755 1427167757 /nfs/dbraw/zinc/16/77/57/1427167757.db2.gz KOJKSHUKHBTEBC-UHFFFAOYSA-N 1 0 377.466 3.394 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000174601907 1427252685 /nfs/dbraw/zinc/25/26/85/1427252685.db2.gz LUEVXJWXRPDPKD-HNNXBMFYSA-N 1 0 384.436 3.158 20 5 GGBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CCN(CCc2ccccn2)CC1 ZINC000174653975 1427291014 /nfs/dbraw/zinc/29/10/14/1427291014.db2.gz COZYCCXGBGEBDI-UHFFFAOYSA-N 1 0 384.480 3.008 20 5 GGBDRO CN(C(=O)C[N@H+](C)[C@H]1CCCN(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000174677962 1427305260 /nfs/dbraw/zinc/30/52/60/1427305260.db2.gz MWIDROBJGPIFRV-FQEVSTJZSA-N 1 0 382.464 3.158 20 5 GGBDRO CN(C(=O)C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000174677947 1427305537 /nfs/dbraw/zinc/30/55/37/1427305537.db2.gz MWIDROBJGPIFRV-HXUWFJFHSA-N 1 0 382.464 3.158 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174748220 1427346524 /nfs/dbraw/zinc/34/65/24/1427346524.db2.gz HRGXOPLGELSUOG-UHFFFAOYSA-N 1 0 376.457 3.012 20 5 GGBDRO C[C@@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)[NH+]1CCCCCC1 ZINC000174802002 1427376800 /nfs/dbraw/zinc/37/68/00/1427376800.db2.gz TXSFHWDWZMTBKV-INIZCTEOSA-N 1 0 375.469 3.229 20 5 GGBDRO COc1cccc(NC(=O)CC[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000174802356 1427377313 /nfs/dbraw/zinc/37/73/13/1427377313.db2.gz BVAOGIARQJIAJG-UHFFFAOYSA-N 1 0 399.447 3.475 20 5 GGBDRO O=C1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CN1C1CC1 ZINC000174932081 1427452204 /nfs/dbraw/zinc/45/22/04/1427452204.db2.gz OHQUZLJGBPXTMH-LLVKDONJSA-N 1 0 375.812 3.361 20 5 GGBDRO CCC[N@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000174962434 1427468459 /nfs/dbraw/zinc/46/84/59/1427468459.db2.gz BBSOHGQOJLZVDV-KBPBESRZSA-N 1 0 382.892 3.239 20 5 GGBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000174967174 1427471499 /nfs/dbraw/zinc/47/14/99/1427471499.db2.gz SDKXUEPFOZCAQM-LJQANCHMSA-N 1 0 396.491 3.377 20 5 GGBDRO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000174997264 1427487352 /nfs/dbraw/zinc/48/73/52/1427487352.db2.gz CPKUQPBVHAHTAI-DJJJIMSYSA-N 1 0 385.420 3.068 20 5 GGBDRO COc1cccc([C@@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])[NH+](C)C)c1 ZINC000175085819 1427538260 /nfs/dbraw/zinc/53/82/60/1427538260.db2.gz TVOXGYZKTJXDTF-MRXNPFEDSA-N 1 0 377.828 3.290 20 5 GGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000175121023 1427557923 /nfs/dbraw/zinc/55/79/23/1427557923.db2.gz SPZKRWHFFYQKDU-UHFFFAOYSA-N 1 0 393.509 3.034 20 5 GGBDRO CC(C)(NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000175150515 1427570186 /nfs/dbraw/zinc/57/01/86/1427570186.db2.gz SFEBRVWGQQCAAJ-UHFFFAOYSA-N 1 0 396.491 3.158 20 5 GGBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000175169606 1427579845 /nfs/dbraw/zinc/57/98/45/1427579845.db2.gz WQFCIAXDNCHBIZ-SFHVURJKSA-N 1 0 382.464 3.258 20 5 GGBDRO C[C@H]1CCN(C(=O)NCc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000175172253 1427581343 /nfs/dbraw/zinc/58/13/43/1427581343.db2.gz KODJADVFATWSMB-KRWDZBQOSA-N 1 0 382.464 3.401 20 5 GGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000175202631 1427597516 /nfs/dbraw/zinc/59/75/16/1427597516.db2.gz UJBBMHBOUHPJPK-GOSISDBHSA-N 1 0 376.501 3.433 20 5 GGBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000175262954 1427633306 /nfs/dbraw/zinc/63/33/06/1427633306.db2.gz UQPNUKGLCDRPOE-IBGZPJMESA-N 1 0 382.464 3.258 20 5 GGBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000175273166 1427639885 /nfs/dbraw/zinc/63/98/85/1427639885.db2.gz VJXWYGCCCGTCFE-IBGZPJMESA-N 1 0 396.491 3.377 20 5 GGBDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000175295686 1427654703 /nfs/dbraw/zinc/65/47/03/1427654703.db2.gz QNDGPIPNVGUBTQ-UHFFFAOYSA-N 1 0 398.463 3.306 20 5 GGBDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000175299560 1427657676 /nfs/dbraw/zinc/65/76/76/1427657676.db2.gz ZEBIXGUWKJPZJR-UHFFFAOYSA-N 1 0 398.463 3.306 20 5 GGBDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000175301826 1427661083 /nfs/dbraw/zinc/66/10/83/1427661083.db2.gz QNLJTLGWTBCNMS-UHFFFAOYSA-N 1 0 398.463 3.306 20 5 GGBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000175656414 1427846618 /nfs/dbraw/zinc/84/66/18/1427846618.db2.gz DFYVFQJXJLFTRO-UHFFFAOYSA-N 1 0 399.476 3.046 20 5 GGBDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2cccs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000175657897 1427847173 /nfs/dbraw/zinc/84/71/73/1427847173.db2.gz WJIAFCPOOIUADW-UHFFFAOYSA-N 1 0 392.437 3.077 20 5 GGBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(CC[NH+](C)C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000175664090 1427849179 /nfs/dbraw/zinc/84/91/79/1427849179.db2.gz UBKDXRREJZREMT-UHFFFAOYSA-N 1 0 392.437 3.077 20 5 GGBDRO Cc1ccc([C@@H](C)NC(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000175774684 1427888433 /nfs/dbraw/zinc/88/84/33/1427888433.db2.gz FNNPELBVTXXLQS-MRXNPFEDSA-N 1 0 382.464 3.322 20 5 GGBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000175801345 1427898112 /nfs/dbraw/zinc/89/81/12/1427898112.db2.gz FTVBCXCNXWIZRG-HXUWFJFHSA-N 1 0 396.491 3.301 20 5 GGBDRO C[C@H]1C[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000176108393 1428087480 /nfs/dbraw/zinc/08/74/80/1428087480.db2.gz VAWCBNRQKWZTMR-PKOBYXMFSA-N 1 0 396.491 3.200 20 5 GGBDRO C[NH+](C)CCOc1cccc(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1 ZINC000176156470 1428124568 /nfs/dbraw/zinc/12/45/68/1428124568.db2.gz VISZVVNDHWZRQT-UHFFFAOYSA-N 1 0 377.828 3.119 20 5 GGBDRO COc1cc(CN2CC[C@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180188161 1429792148 /nfs/dbraw/zinc/79/21/48/1429792148.db2.gz AJUUWYXZVRMOPZ-CQSZACIVSA-N 1 0 399.438 3.165 20 5 GGBDRO COc1cc(C[N@H+](C)[C@H](CO)C(C)(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000180240790 1429812481 /nfs/dbraw/zinc/81/24/81/1429812481.db2.gz UNXDKONCRHDJHQ-OAHLLOKOSA-N 1 0 376.400 3.086 20 5 GGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000180257928 1429817375 /nfs/dbraw/zinc/81/73/75/1429817375.db2.gz VHECWWOHRLXILW-CABCVRRESA-N 1 0 399.438 3.306 20 5 GGBDRO COc1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180280261 1429823100 /nfs/dbraw/zinc/82/31/00/1429823100.db2.gz DHVRTEAAFKPXOL-ZFWWWQNUSA-N 1 0 399.438 3.163 20 5 GGBDRO Cn1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(-c2ccccc2)n1 ZINC000180345134 1429841137 /nfs/dbraw/zinc/84/11/37/1429841137.db2.gz FTFSMERCWJVSHV-KRWDZBQOSA-N 1 0 378.436 3.077 20 5 GGBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000180397000 1429856688 /nfs/dbraw/zinc/85/66/88/1429856688.db2.gz SSAVCBUHLQRKPB-SNVBAGLBSA-N 1 0 378.772 3.446 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180397666 1429856733 /nfs/dbraw/zinc/85/67/33/1429856733.db2.gz XHHCLDRJUYVVMV-GFCCVEGCSA-N 1 0 388.380 3.191 20 5 GGBDRO CCN(CC)C(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180408480 1429860235 /nfs/dbraw/zinc/86/02/35/1429860235.db2.gz KLJYHRXHGAWRPO-HNNXBMFYSA-N 1 0 398.463 3.366 20 5 GGBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000180417796 1429863066 /nfs/dbraw/zinc/86/30/66/1429863066.db2.gz KCEBIXGHVIADOP-LBPRGKRZSA-N 1 0 388.380 3.191 20 5 GGBDRO C[C@H]([NH2+]CC(=O)NCc1ccc(OC(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180420980 1429864608 /nfs/dbraw/zinc/86/46/08/1429864608.db2.gz QQXQYXJMAJPDKL-LBPRGKRZSA-N 1 0 379.363 3.163 20 5 GGBDRO C[C@H]([NH2+]CC(=O)NCCc1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 ZINC000180423919 1429865305 /nfs/dbraw/zinc/86/53/05/1429865305.db2.gz LPIMOFIITNSXQN-ZDUSSCGKSA-N 1 0 384.461 3.214 20 5 GGBDRO CC(C)NC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180424948 1429865712 /nfs/dbraw/zinc/86/57/12/1429865712.db2.gz DSXWQCFVFMJSTG-AWEZNQCLSA-N 1 0 384.436 3.022 20 5 GGBDRO COc1ccc(OC)c([C@@H](C)NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180427561 1429867024 /nfs/dbraw/zinc/86/70/24/1429867024.db2.gz GXTMGVPHLXGFJC-ZIAGYGMSSA-N 1 0 387.436 3.140 20 5 GGBDRO COc1ccc(OC)c([C@H](C)NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180427528 1429867153 /nfs/dbraw/zinc/86/71/53/1429867153.db2.gz GXTMGVPHLXGFJC-KGLIPLIRSA-N 1 0 387.436 3.140 20 5 GGBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000180432060 1429867722 /nfs/dbraw/zinc/86/77/22/1429867722.db2.gz SVSHLAKESNPJMN-RYUDHWBXSA-N 1 0 388.380 3.189 20 5 GGBDRO CC(C)CNC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180432451 1429868227 /nfs/dbraw/zinc/86/82/27/1429868227.db2.gz LPMGWCPYBAEATH-HNNXBMFYSA-N 1 0 398.463 3.270 20 5 GGBDRO CCN(CC)C(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180435596 1429869010 /nfs/dbraw/zinc/86/90/10/1429869010.db2.gz XFKQSMYFKIAYRX-OAHLLOKOSA-N 1 0 398.463 3.366 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCN(Cc4cccnc4)CC3)o2)c1 ZINC000180471139 1429877119 /nfs/dbraw/zinc/87/71/19/1429877119.db2.gz MVKRYAZJIZWKIQ-UHFFFAOYSA-N 1 0 393.447 3.005 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180516693 1429887392 /nfs/dbraw/zinc/88/73/92/1429887392.db2.gz PISNZKZCDMZTCI-UHFFFAOYSA-N 1 0 397.353 3.481 20 5 GGBDRO COc1cc(C[N@H+](CCc2ccccc2)[C@H]2CCOC2)c([N+](=O)[O-])cc1OC ZINC000180538789 1429893122 /nfs/dbraw/zinc/89/31/22/1429893122.db2.gz PPSINPLEMLWZSR-SFHVURJKSA-N 1 0 386.448 3.446 20 5 GGBDRO COc1cc(C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)c([N+](=O)[O-])cc1OC ZINC000180538767 1429893134 /nfs/dbraw/zinc/89/31/34/1429893134.db2.gz PPSINPLEMLWZSR-GOSISDBHSA-N 1 0 386.448 3.446 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCCN(CC(F)F)CC3)o2)c1 ZINC000180576333 1429905909 /nfs/dbraw/zinc/90/59/09/1429905909.db2.gz YYKUBSWGUVVLTB-UHFFFAOYSA-N 1 0 380.395 3.065 20 5 GGBDRO COc1cc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c([N+](=O)[O-])cc1OC ZINC000180602694 1429926861 /nfs/dbraw/zinc/92/68/61/1429926861.db2.gz VETYGUUIMCHTLB-HOCLYGCPSA-N 1 0 376.409 3.293 20 5 GGBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000180628757 1429942073 /nfs/dbraw/zinc/94/20/73/1429942073.db2.gz BWWUCJKJJIWPOJ-KRWDZBQOSA-N 1 0 385.420 3.436 20 5 GGBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000180636773 1429947549 /nfs/dbraw/zinc/94/75/49/1429947549.db2.gz NQNPQMSYJBEFKU-GUYCJALGSA-N 1 0 385.420 3.434 20 5 GGBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000180644029 1429951105 /nfs/dbraw/zinc/95/11/05/1429951105.db2.gz UEQBKAZNEXTHOX-ZFWWWQNUSA-N 1 0 385.420 3.434 20 5 GGBDRO COC(=O)[C@H](O)C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000180671399 1429967410 /nfs/dbraw/zinc/96/74/10/1429967410.db2.gz QOMMLYQUBYKDKC-GOSISDBHSA-N 1 0 390.461 3.069 20 5 GGBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 ZINC000180722080 1430001130 /nfs/dbraw/zinc/00/11/30/1430001130.db2.gz AXXRAGFUXZBHKD-INIZCTEOSA-N 1 0 395.525 3.182 20 5 GGBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000180729546 1430004411 /nfs/dbraw/zinc/00/44/11/1430004411.db2.gz JCSQNICORFDUCC-HUUCEWRRSA-N 1 0 395.525 3.324 20 5 GGBDRO CC[NH+](CC)CCCC1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000180754824 1430020394 /nfs/dbraw/zinc/02/03/94/1430020394.db2.gz MRHJVXQOICELDA-UHFFFAOYSA-N 1 0 391.468 3.298 20 5 GGBDRO Cn1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000180780321 1430034285 /nfs/dbraw/zinc/03/42/85/1430034285.db2.gz AUXAHWMFURVTPJ-DYESRHJHSA-N 1 0 395.507 3.444 20 5 GGBDRO CCOc1ccc([C@@H](C)[NH2+]CCNC(=O)c2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000180788075 1430040936 /nfs/dbraw/zinc/04/09/36/1430040936.db2.gz DUGQOJYOBZWBCI-GFCCVEGCSA-N 1 0 393.390 3.352 20 5 GGBDRO C[NH+](C)CCOc1ccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])cc1Cl ZINC000180790057 1430041875 /nfs/dbraw/zinc/04/18/75/1430041875.db2.gz QUPOWZKGYRLFMV-UHFFFAOYSA-N 1 0 378.816 3.023 20 5 GGBDRO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(-n2cccn2)cc1 ZINC000180823001 1430058484 /nfs/dbraw/zinc/05/84/84/1430058484.db2.gz PVURXJGDZAAOHK-OAHLLOKOSA-N 1 0 391.431 3.020 20 5 GGBDRO COc1cc(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000180850582 1430069277 /nfs/dbraw/zinc/06/92/77/1430069277.db2.gz FWJSPOOFNWWFMJ-NVXWUHKLSA-N 1 0 386.448 3.385 20 5 GGBDRO COc1cc(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000180851313 1430070159 /nfs/dbraw/zinc/07/01/59/1430070159.db2.gz DLSBHCXTPAIYDS-MAUKXSAKSA-N 1 0 386.448 3.385 20 5 GGBDRO COc1cc(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000180851360 1430070196 /nfs/dbraw/zinc/07/01/96/1430070196.db2.gz DLSBHCXTPAIYDS-QAPCUYQASA-N 1 0 386.448 3.385 20 5 GGBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000180854811 1430071569 /nfs/dbraw/zinc/07/15/69/1430071569.db2.gz MHPLDWHAGKJLGU-OAHLLOKOSA-N 1 0 379.420 3.460 20 5 GGBDRO NC(=O)C[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CCOCC1 ZINC000180914173 1430109469 /nfs/dbraw/zinc/10/94/69/1430109469.db2.gz IOWJWCYEQJEMIK-INIZCTEOSA-N 1 0 389.477 3.084 20 5 GGBDRO COc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3C)C2=O)cc1 ZINC000180914695 1430109673 /nfs/dbraw/zinc/10/96/73/1430109673.db2.gz KIEABOFDRPZNEM-HNAYVOBHSA-N 1 0 383.448 3.364 20 5 GGBDRO NC(=O)C[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CCOCC1 ZINC000180914194 1430109703 /nfs/dbraw/zinc/10/97/03/1430109703.db2.gz IOWJWCYEQJEMIK-MRXNPFEDSA-N 1 0 389.477 3.084 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2c(N)cccc2[N+](=O)[O-])cc1 ZINC000180930375 1430120509 /nfs/dbraw/zinc/12/05/09/1430120509.db2.gz PRWCHDKSLXZJLE-OAHLLOKOSA-N 1 0 382.464 3.481 20 5 GGBDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3c(N)cccc3[N+](=O)[O-])cc2)C1 ZINC000180929278 1430120782 /nfs/dbraw/zinc/12/07/82/1430120782.db2.gz AJPJFGWAHMDQGD-OAHLLOKOSA-N 1 0 382.464 3.339 20 5 GGBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)cc1 ZINC000180942239 1430126471 /nfs/dbraw/zinc/12/64/71/1430126471.db2.gz MENRUNNZKZIEKE-LLVKDONJSA-N 1 0 397.353 3.486 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000180947392 1430129234 /nfs/dbraw/zinc/12/92/34/1430129234.db2.gz KHKCPWSSWPCGJP-QGZVFWFLSA-N 1 0 387.461 3.077 20 5 GGBDRO C[C@@H]([NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000181015114 1430167821 /nfs/dbraw/zinc/16/78/21/1430167821.db2.gz AHODNBOOIJJSSU-GOSISDBHSA-N 1 0 396.491 3.374 20 5 GGBDRO C[C@H]([NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000181015094 1430167835 /nfs/dbraw/zinc/16/78/35/1430167835.db2.gz AHODNBOOIJJSSU-SFHVURJKSA-N 1 0 396.491 3.374 20 5 GGBDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000181022066 1430171041 /nfs/dbraw/zinc/17/10/41/1430171041.db2.gz LUPCMEUKKQYWNE-UHFFFAOYSA-N 1 0 382.464 3.161 20 5 GGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2COC3(CCOCC3)O2)s1 ZINC000181071993 1430198014 /nfs/dbraw/zinc/19/80/14/1430198014.db2.gz WYHBPAVSFRTBIB-AWEZNQCLSA-N 1 0 390.461 3.335 20 5 GGBDRO COc1cc(C[NH2+]CC2(OC)CCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000181075488 1430199536 /nfs/dbraw/zinc/19/95/36/1430199536.db2.gz GJCJZDYEWJJZJY-UHFFFAOYSA-N 1 0 378.347 3.203 20 5 GGBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000181109315 1430213917 /nfs/dbraw/zinc/21/39/17/1430213917.db2.gz HDRXYNLRELOYQI-WBVHZDCISA-N 1 0 382.464 3.302 20 5 GGBDRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000181115398 1430215746 /nfs/dbraw/zinc/21/57/46/1430215746.db2.gz JOGHBFMPQYZDEL-UHFFFAOYSA-N 1 0 397.541 3.258 20 5 GGBDRO C[C@@H]([NH2+]CCOCCS(C)(=O)=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000181149427 1430227146 /nfs/dbraw/zinc/22/71/46/1430227146.db2.gz DNFXRERPMFMYKR-CYBMUJFWSA-N 1 0 398.506 3.035 20 5 GGBDRO C[C@H]([NH2+]CCOCCS(C)(=O)=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000181149411 1430227302 /nfs/dbraw/zinc/22/73/02/1430227302.db2.gz DNFXRERPMFMYKR-ZDUSSCGKSA-N 1 0 398.506 3.035 20 5 GGBDRO CCOc1ccc([C@@H](C)[NH2+]CCCN2C(=O)COc3ccccc32)cc1[N+](=O)[O-] ZINC000181151405 1430228273 /nfs/dbraw/zinc/22/82/73/1430228273.db2.gz SGBIWZMSAUEBTH-OAHLLOKOSA-N 1 0 399.447 3.460 20 5 GGBDRO O=C(C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000181193475 1430244272 /nfs/dbraw/zinc/24/42/72/1430244272.db2.gz USUSSRHFDUBACN-OXJNMPFZSA-N 1 0 395.459 3.241 20 5 GGBDRO O=C(C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000181193519 1430244366 /nfs/dbraw/zinc/24/43/66/1430244366.db2.gz USUSSRHFDUBACN-OXQOHEQNSA-N 1 0 395.459 3.241 20 5 GGBDRO O=C(C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000181193536 1430244877 /nfs/dbraw/zinc/24/48/77/1430244877.db2.gz USUSSRHFDUBACN-UZLBHIALSA-N 1 0 395.459 3.241 20 5 GGBDRO O=C(C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000181209621 1430248347 /nfs/dbraw/zinc/24/83/47/1430248347.db2.gz ZIFNTVYQWXTHMU-OXJNMPFZSA-N 1 0 395.459 3.241 20 5 GGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3OC)C2=O)cc1[N+](=O)[O-] ZINC000181287345 1430263359 /nfs/dbraw/zinc/26/33/59/1430263359.db2.gz NDFQAQHMACQHIM-GDBMZVCRSA-N 1 0 399.447 3.458 20 5 GGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccccc3OC)C2=O)cc1[N+](=O)[O-] ZINC000181287398 1430263589 /nfs/dbraw/zinc/26/35/89/1430263589.db2.gz NDFQAQHMACQHIM-HOCLYGCPSA-N 1 0 399.447 3.458 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000181404254 1430289796 /nfs/dbraw/zinc/28/97/96/1430289796.db2.gz DEWYVDFFCALJKR-LSDHHAIUSA-N 1 0 396.447 3.399 20 5 GGBDRO COc1ccc(OCC[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)c([N+](=O)[O-])c1 ZINC000181411353 1430291207 /nfs/dbraw/zinc/29/12/07/1430291207.db2.gz AMTPTGQLHOYESN-OAHLLOKOSA-N 1 0 399.447 3.460 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181420115 1430294104 /nfs/dbraw/zinc/29/41/04/1430294104.db2.gz IEYRWLIRZGZVGR-HNNXBMFYSA-N 1 0 396.447 3.319 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181420136 1430294445 /nfs/dbraw/zinc/29/44/45/1430294445.db2.gz IEYRWLIRZGZVGR-OAHLLOKOSA-N 1 0 396.447 3.319 20 5 GGBDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc(N2CCCC2=O)c1 ZINC000181426860 1430296047 /nfs/dbraw/zinc/29/60/47/1430296047.db2.gz ILQPJRHKXAHURZ-OAHLLOKOSA-N 1 0 396.447 3.035 20 5 GGBDRO C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181457436 1430304005 /nfs/dbraw/zinc/30/40/05/1430304005.db2.gz NBGFRERBMSWXII-HUUCEWRRSA-N 1 0 384.480 3.388 20 5 GGBDRO C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181457475 1430304179 /nfs/dbraw/zinc/30/41/79/1430304179.db2.gz NBGFRERBMSWXII-CABCVRRESA-N 1 0 384.480 3.388 20 5 GGBDRO CC(C)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(C(F)(F)F)cc1 ZINC000181511277 1430313130 /nfs/dbraw/zinc/31/31/30/1430313130.db2.gz QKZRXNVYQWHPKO-HOTGVXAUSA-N 1 0 386.374 3.158 20 5 GGBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccccc1 ZINC000181517622 1430313994 /nfs/dbraw/zinc/31/39/94/1430313994.db2.gz AXGVDJAKXMYGEL-ZDUSSCGKSA-N 1 0 385.420 3.183 20 5 GGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)cc1[N+](=O)[O-] ZINC000181525987 1430315311 /nfs/dbraw/zinc/31/53/11/1430315311.db2.gz DYWKLLUDAOUSGB-WCQYABFASA-N 1 0 389.374 3.197 20 5 GGBDRO CC[C@@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000181546750 1430318178 /nfs/dbraw/zinc/31/81/78/1430318178.db2.gz GPEWDCBOAIFAFR-GOSISDBHSA-N 1 0 377.466 3.086 20 5 GGBDRO C[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181637255 1430332462 /nfs/dbraw/zinc/33/24/62/1430332462.db2.gz XFUSCPLMQBOQLV-JKSUJKDBSA-N 1 0 375.469 3.133 20 5 GGBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000181642916 1430333730 /nfs/dbraw/zinc/33/37/30/1430333730.db2.gz RAFDKSAHVMBNDP-KGLIPLIRSA-N 1 0 390.440 3.194 20 5 GGBDRO C[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181647453 1430334778 /nfs/dbraw/zinc/33/47/78/1430334778.db2.gz RVKSAHNHUWFJPH-WBVHZDCISA-N 1 0 397.479 3.163 20 5 GGBDRO C[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181647415 1430334800 /nfs/dbraw/zinc/33/48/00/1430334800.db2.gz RVKSAHNHUWFJPH-NVXWUHKLSA-N 1 0 397.479 3.163 20 5 GGBDRO C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181653792 1430335646 /nfs/dbraw/zinc/33/56/46/1430335646.db2.gz WHDMYCGIFAXGNK-CABCVRRESA-N 1 0 377.510 3.456 20 5 GGBDRO C[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181655039 1430336015 /nfs/dbraw/zinc/33/60/15/1430336015.db2.gz DTWZJWCXVUPQSE-CVEARBPZSA-N 1 0 397.479 3.163 20 5 GGBDRO O=C(CCN1CCC[C@H]1C[NH+]1CCCCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181679431 1430340461 /nfs/dbraw/zinc/34/04/61/1430340461.db2.gz ZENOAYAUDBRSLT-INIZCTEOSA-N 1 0 378.448 3.013 20 5 GGBDRO CC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1cccc(S(N)(=O)=O)c1 ZINC000181746942 1430352042 /nfs/dbraw/zinc/35/20/42/1430352042.db2.gz AGQXILVNOFPVSV-SCLBCKFNSA-N 1 0 377.466 3.353 20 5 GGBDRO CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)c1cccc(S(N)(=O)=O)c1 ZINC000181746960 1430352109 /nfs/dbraw/zinc/35/21/09/1430352109.db2.gz AGQXILVNOFPVSV-ACJLOTCBSA-N 1 0 377.466 3.353 20 5 GGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cccc(N3CCCC3=O)c2)cc1[N+](=O)[O-] ZINC000181806572 1430364413 /nfs/dbraw/zinc/36/44/13/1430364413.db2.gz YRZJAVNFICOCOW-OAHLLOKOSA-N 1 0 396.447 3.319 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2cccc(N3CCCC3=O)c2)cc1[N+](=O)[O-] ZINC000181806593 1430364629 /nfs/dbraw/zinc/36/46/29/1430364629.db2.gz YRZJAVNFICOCOW-HNNXBMFYSA-N 1 0 396.447 3.319 20 5 GGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCCCN(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000181811589 1430365323 /nfs/dbraw/zinc/36/53/23/1430365323.db2.gz UCXFTLXNVGSDGF-QGZVFWFLSA-N 1 0 384.480 3.197 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCCO[C@@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000181814375 1430366001 /nfs/dbraw/zinc/36/60/01/1430366001.db2.gz BJTBIOTWXUXLBJ-TXPKVOOTSA-N 1 0 377.485 3.265 20 5 GGBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Oc2ccccc2)cc1 ZINC000181818202 1430366560 /nfs/dbraw/zinc/36/65/60/1430366560.db2.gz KJJXLIRRYYDRII-YJBOKZPZSA-N 1 0 382.420 3.295 20 5 GGBDRO COc1cccc(S(=O)(=O)CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000181818663 1430367032 /nfs/dbraw/zinc/36/70/32/1430367032.db2.gz RDQMHQZFMNAXDB-AWEZNQCLSA-N 1 0 378.450 3.036 20 5 GGBDRO CCOCc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181824178 1430367728 /nfs/dbraw/zinc/36/77/28/1430367728.db2.gz WIEMYZWKQXJEBD-INIZCTEOSA-N 1 0 385.464 3.407 20 5 GGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)cc1[N+](=O)[O-] ZINC000181827114 1430368168 /nfs/dbraw/zinc/36/81/68/1430368168.db2.gz AZQUZVWFFHKWOE-CQSZACIVSA-N 1 0 377.466 3.004 20 5 GGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000181833281 1430369233 /nfs/dbraw/zinc/36/92/33/1430369233.db2.gz LCKHFJRTLYZSDG-MRXNPFEDSA-N 1 0 398.463 3.029 20 5 GGBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000181842891 1430370787 /nfs/dbraw/zinc/37/07/87/1430370787.db2.gz NHSUHMCXILOHRU-GFCCVEGCSA-N 1 0 388.380 3.109 20 5 GGBDRO CCOC(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181842843 1430370938 /nfs/dbraw/zinc/37/09/38/1430370938.db2.gz KOXBXPODTDSOPI-AWEZNQCLSA-N 1 0 385.420 3.369 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1[N+](=O)[O-] ZINC000181843336 1430370998 /nfs/dbraw/zinc/37/09/98/1430370998.db2.gz SFNVJZOPYIOFKF-AWEZNQCLSA-N 1 0 396.447 3.085 20 5 GGBDRO Cc1ccc([C@@H]2CSCC[N@@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000181890976 1430378620 /nfs/dbraw/zinc/37/86/20/1430378620.db2.gz IRSPJLDXGNEJQX-HKUYNNGSSA-N 1 0 388.489 3.433 20 5 GGBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(N3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000181891961 1430378876 /nfs/dbraw/zinc/37/88/76/1430378876.db2.gz KKUPVJDFCQPUMN-OAHLLOKOSA-N 1 0 398.463 3.493 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000181895507 1430379578 /nfs/dbraw/zinc/37/95/78/1430379578.db2.gz ZCRALCZFUKFUFW-SFHVURJKSA-N 1 0 398.463 3.100 20 5 GGBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000182062414 1430404086 /nfs/dbraw/zinc/40/40/86/1430404086.db2.gz MMQZNUGRSURUSP-OAHLLOKOSA-N 1 0 380.448 3.255 20 5 GGBDRO COC(=O)[C@H](C)CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000182070634 1430405668 /nfs/dbraw/zinc/40/56/68/1430405668.db2.gz OYJUJYXXIOXLHG-GFCCVEGCSA-N 1 0 375.450 3.492 20 5 GGBDRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)cc21 ZINC000182072667 1430406364 /nfs/dbraw/zinc/40/63/64/1430406364.db2.gz IVTFGRJTKUJWTR-UHFFFAOYSA-N 1 0 396.403 3.092 20 5 GGBDRO Cn1cc(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000182094046 1430410271 /nfs/dbraw/zinc/41/02/71/1430410271.db2.gz QIIVYQGBNKXIRA-INIZCTEOSA-N 1 0 394.479 3.184 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000182143136 1430419558 /nfs/dbraw/zinc/41/95/58/1430419558.db2.gz IHQOGXZKWUDNSW-GOSISDBHSA-N 1 0 389.427 3.050 20 5 GGBDRO Cc1cccnc1[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000182175323 1430424554 /nfs/dbraw/zinc/42/45/54/1430424554.db2.gz PTKNIBHMUJYTHH-QGZVFWFLSA-N 1 0 377.466 3.059 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000182178848 1430425064 /nfs/dbraw/zinc/42/50/64/1430425064.db2.gz MWHXDWKPTOTUMX-HOTGVXAUSA-N 1 0 392.477 3.077 20 5 GGBDRO Cc1cccc(NC2CC[NH+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000182186029 1430426425 /nfs/dbraw/zinc/42/64/25/1430426425.db2.gz HARKWEDBDSZSDA-IBGZPJMESA-N 1 0 385.464 3.219 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000182194186 1430427608 /nfs/dbraw/zinc/42/76/08/1430427608.db2.gz LWYUVJPSSLFNQQ-GOSISDBHSA-N 1 0 386.448 3.016 20 5 GGBDRO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000182200205 1430428677 /nfs/dbraw/zinc/42/86/77/1430428677.db2.gz OCXSCKIKZAEXHO-CYBMUJFWSA-N 1 0 383.395 3.144 20 5 GGBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000182205744 1430429901 /nfs/dbraw/zinc/42/99/01/1430429901.db2.gz KERCVIBRDQJBAJ-KBXCAEBGSA-N 1 0 399.447 3.034 20 5 GGBDRO C[C@H](CCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000182224435 1430432714 /nfs/dbraw/zinc/43/27/14/1430432714.db2.gz MENVRRYACAMOBK-CQSZACIVSA-N 1 0 383.876 3.398 20 5 GGBDRO C[C@@H](CCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000182224413 1430432740 /nfs/dbraw/zinc/43/27/40/1430432740.db2.gz MENVRRYACAMOBK-AWEZNQCLSA-N 1 0 383.876 3.398 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000182225648 1430432933 /nfs/dbraw/zinc/43/29/33/1430432933.db2.gz FSPNNSLXTYJPPD-HNNXBMFYSA-N 1 0 395.525 3.328 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000182225669 1430432965 /nfs/dbraw/zinc/43/29/65/1430432965.db2.gz FSPNNSLXTYJPPD-OAHLLOKOSA-N 1 0 395.525 3.328 20 5 GGBDRO C[C@@H](CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[NH+]1CCCCC1 ZINC000182226450 1430433043 /nfs/dbraw/zinc/43/30/43/1430433043.db2.gz ZREULJRLWYPMCH-KRWDZBQOSA-N 1 0 388.512 3.192 20 5 GGBDRO CN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000182265244 1430439695 /nfs/dbraw/zinc/43/96/95/1430439695.db2.gz OUYVBXJUZCSAOD-QGZVFWFLSA-N 1 0 397.431 3.060 20 5 GGBDRO C[C@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000182289320 1430443013 /nfs/dbraw/zinc/44/30/13/1430443013.db2.gz NALQLXKPTVWZMZ-SUMWQHHRSA-N 1 0 375.400 3.384 20 5 GGBDRO Cc1cccc(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000182293095 1430443565 /nfs/dbraw/zinc/44/35/65/1430443565.db2.gz MHDKJPLZORHDHW-UHFFFAOYSA-N 1 0 397.475 3.350 20 5 GGBDRO C[NH+](C)C1CCN(c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000182358164 1430452894 /nfs/dbraw/zinc/45/28/94/1430452894.db2.gz QGLPAHSNUFYPTA-UHFFFAOYSA-N 1 0 398.463 3.143 20 5 GGBDRO Cc1cc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)c(N)c([N+](=O)[O-])c1 ZINC000182445911 1430468881 /nfs/dbraw/zinc/46/88/81/1430468881.db2.gz PRVXITSKXJXORF-UHFFFAOYSA-N 1 0 397.479 3.268 20 5 GGBDRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000182447899 1430469070 /nfs/dbraw/zinc/46/90/70/1430469070.db2.gz XVCBRUUQFQZMHN-KRWDZBQOSA-N 1 0 393.421 3.018 20 5 GGBDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000182447920 1430469205 /nfs/dbraw/zinc/46/92/05/1430469205.db2.gz XVCBRUUQFQZMHN-QGZVFWFLSA-N 1 0 393.421 3.018 20 5 GGBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 ZINC000182452664 1430470039 /nfs/dbraw/zinc/47/00/39/1430470039.db2.gz NMVNEJFYVXGSBW-APWZRJJASA-N 1 0 385.464 3.286 20 5 GGBDRO CCC[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC[N@@H+]1Cc1ccccc1 ZINC000182493518 1430477172 /nfs/dbraw/zinc/47/71/72/1430477172.db2.gz SPQQSUBJQQUFDT-IBGZPJMESA-N 1 0 399.495 3.003 20 5 GGBDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000182524801 1430483463 /nfs/dbraw/zinc/48/34/63/1430483463.db2.gz MUPRMGRSULZHPE-LLVKDONJSA-N 1 0 390.827 3.496 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182548823 1430489146 /nfs/dbraw/zinc/48/91/46/1430489146.db2.gz VPTNIECTCSTTMJ-GJZGRUSLSA-N 1 0 390.484 3.056 20 5 GGBDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000182551478 1430489654 /nfs/dbraw/zinc/48/96/54/1430489654.db2.gz DRCFGJZWNUXGPQ-LLVKDONJSA-N 1 0 390.827 3.496 20 5 GGBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182557811 1430491865 /nfs/dbraw/zinc/49/18/65/1430491865.db2.gz KFUCCDVCHXCIPU-HNNXBMFYSA-N 1 0 379.420 3.394 20 5 GGBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](c2ccc(Cl)cc2)C2CCCC2)c1 ZINC000182562630 1430492755 /nfs/dbraw/zinc/49/27/55/1430492755.db2.gz AGLBHMKUPGUNQP-ROUUACIJSA-N 1 0 378.860 3.327 20 5 GGBDRO CC[NH+](CC)CCCC1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000182783408 1430539049 /nfs/dbraw/zinc/53/90/49/1430539049.db2.gz ANLMAYIWAQDJFF-UHFFFAOYSA-N 1 0 376.501 3.367 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182867386 1430557059 /nfs/dbraw/zinc/55/70/59/1430557059.db2.gz WTBNVXYQYYXQHA-UONOGXRCSA-N 1 0 376.457 3.378 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182867401 1430557412 /nfs/dbraw/zinc/55/74/12/1430557412.db2.gz WTBNVXYQYYXQHA-ZIAGYGMSSA-N 1 0 376.457 3.378 20 5 GGBDRO Cc1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000182876071 1430559334 /nfs/dbraw/zinc/55/93/34/1430559334.db2.gz OIKVGFFNAJWQSA-LJQANCHMSA-N 1 0 398.463 3.182 20 5 GGBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183033478 1430597420 /nfs/dbraw/zinc/59/74/20/1430597420.db2.gz SPUXYZIGWOFTBO-GDBMZVCRSA-N 1 0 395.525 3.089 20 5 GGBDRO C[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101258 1430612971 /nfs/dbraw/zinc/61/29/71/1430612971.db2.gz RSBNUFOFWSMULP-GJZGRUSLSA-N 1 0 375.469 3.204 20 5 GGBDRO C[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101234 1430613086 /nfs/dbraw/zinc/61/30/86/1430613086.db2.gz RSBNUFOFWSMULP-HUUCEWRRSA-N 1 0 375.469 3.204 20 5 GGBDRO C[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101216 1430613175 /nfs/dbraw/zinc/61/31/75/1430613175.db2.gz RSBNUFOFWSMULP-LSDHHAIUSA-N 1 0 375.469 3.204 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc1SC ZINC000183134449 1430624768 /nfs/dbraw/zinc/62/47/68/1430624768.db2.gz MFPWMJKKCOSLMD-CYBMUJFWSA-N 1 0 381.498 3.320 20 5 GGBDRO CC1CCN(c2ccc(C(=O)Nc3ccc(OCC[NH3+])cc3)cc2[N+](=O)[O-])CC1 ZINC000183284942 1430669775 /nfs/dbraw/zinc/66/97/75/1430669775.db2.gz NVLXKJQIVITAPB-UHFFFAOYSA-N 1 0 398.463 3.421 20 5 GGBDRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(O)c1)c1ccc([N+](=O)[O-])cc1F ZINC000183319085 1430678126 /nfs/dbraw/zinc/67/81/26/1430678126.db2.gz QIFFUACWGVXCRX-CQSZACIVSA-N 1 0 389.427 3.133 20 5 GGBDRO CCCCN(C(=O)c1cc([N+](=O)[O-])cnc1N)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000183536797 1430737246 /nfs/dbraw/zinc/73/72/46/1430737246.db2.gz MMTPXMUYKULLJG-UHFFFAOYSA-N 1 0 377.489 3.124 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1cccc(-n2cccn2)c1 ZINC000183578261 1430745486 /nfs/dbraw/zinc/74/54/86/1430745486.db2.gz XNVKZZLWOVDWJK-CQSZACIVSA-N 1 0 395.419 3.078 20 5 GGBDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183604123 1430752608 /nfs/dbraw/zinc/75/26/08/1430752608.db2.gz QLUGUGFAJNJMPP-UHFFFAOYSA-N 1 0 377.832 3.239 20 5 GGBDRO CCN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183763206 1430789165 /nfs/dbraw/zinc/78/91/65/1430789165.db2.gz KZEMMOKEUDWQHT-SFHVURJKSA-N 1 0 382.464 3.130 20 5 GGBDRO C[NH+](C)CCOc1ccccc1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000183768471 1430789801 /nfs/dbraw/zinc/78/98/01/1430789801.db2.gz ZUXCKRILEJETHH-UHFFFAOYSA-N 1 0 377.828 3.119 20 5 GGBDRO COc1ccc(NC(=O)CC[N@H+](C)C[C@H](C)c2nccs2)c([N+](=O)[O-])c1 ZINC000183932703 1430815019 /nfs/dbraw/zinc/81/50/19/1430815019.db2.gz VPEBQOUUIPAVRK-LBPRGKRZSA-N 1 0 378.454 3.124 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@H](C)c1nccs1 ZINC000183967591 1430820142 /nfs/dbraw/zinc/82/01/42/1430820142.db2.gz KVQAITDXEWGORL-LBPRGKRZSA-N 1 0 378.454 3.124 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000184004909 1430827475 /nfs/dbraw/zinc/82/74/75/1430827475.db2.gz YCFGNFRABQJURG-VCBZYWHSSA-N 1 0 395.475 3.091 20 5 GGBDRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000184063776 1430836695 /nfs/dbraw/zinc/83/66/95/1430836695.db2.gz KQCMDCKNWGQORO-UHFFFAOYSA-N 1 0 388.468 3.385 20 5 GGBDRO CC[NH+](CC)[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000184130741 1430845246 /nfs/dbraw/zinc/84/52/46/1430845246.db2.gz KMPCHDYAHHFRKN-LJQANCHMSA-N 1 0 391.493 3.097 20 5 GGBDRO [NH3+]CC1(CC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCCCC1 ZINC000184208227 1430856736 /nfs/dbraw/zinc/85/67/36/1430856736.db2.gz HYHMHPLGNUDXDS-UHFFFAOYSA-N 1 0 375.469 3.264 20 5 GGBDRO [NH3+]CCN(Cc1ccccc1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000184224824 1430858740 /nfs/dbraw/zinc/85/87/40/1430858740.db2.gz BBGYMLHKVFKHBN-UHFFFAOYSA-N 1 0 377.828 3.005 20 5 GGBDRO C[C@H](C[S@@](C)=O)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000184266603 1430864952 /nfs/dbraw/zinc/86/49/52/1430864952.db2.gz HOXSSJMCEVWQKW-WQIZZMQYSA-N 1 0 398.488 3.304 20 5 GGBDRO C[C@@H](C[S@](C)=O)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000184266551 1430864981 /nfs/dbraw/zinc/86/49/81/1430864981.db2.gz HOXSSJMCEVWQKW-HBIPHATFSA-N 1 0 398.488 3.304 20 5 GGBDRO COc1ccccc1S(=O)(=O)CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000184304665 1430871020 /nfs/dbraw/zinc/87/10/20/1430871020.db2.gz IWCLONRWARRTIO-AWEZNQCLSA-N 1 0 378.450 3.118 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000184495292 1430894711 /nfs/dbraw/zinc/89/47/11/1430894711.db2.gz BBBJOIRCUOXEFF-INIZCTEOSA-N 1 0 391.468 3.286 20 5 GGBDRO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCC[NH+]1CCCC1 ZINC000184499191 1430895199 /nfs/dbraw/zinc/89/51/99/1430895199.db2.gz RBDRGUGKCQDZPD-UHFFFAOYSA-N 1 0 388.390 3.018 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000184647875 1430929402 /nfs/dbraw/zinc/92/94/02/1430929402.db2.gz NGJJFOUOFCTQQA-QGZVFWFLSA-N 1 0 394.834 3.489 20 5 GGBDRO COCCC1(C[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCCCC1 ZINC000184719026 1430952463 /nfs/dbraw/zinc/95/24/63/1430952463.db2.gz DDKVDUMYNKLWLL-GOSISDBHSA-N 1 0 375.469 3.277 20 5 GGBDRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccs1)c1ccc([N+](=O)[O-])cc1F ZINC000184740642 1430960455 /nfs/dbraw/zinc/96/04/55/1430960455.db2.gz BUOVITFEFMHRRA-CYBMUJFWSA-N 1 0 379.457 3.489 20 5 GGBDRO C[C@H](C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000184770547 1430971988 /nfs/dbraw/zinc/97/19/88/1430971988.db2.gz WEVPDNQVSFOZLM-KPZWWZAWSA-N 1 0 377.391 3.396 20 5 GGBDRO CCc1ccc([C@H](COC)[NH2+]CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000184807681 1430984231 /nfs/dbraw/zinc/98/42/31/1430984231.db2.gz OISCWVDYZBVKHL-INIZCTEOSA-N 1 0 391.424 3.065 20 5 GGBDRO CCc1cc(N[C@H](C)CC[NH+]2CCN(C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000184826335 1430992268 /nfs/dbraw/zinc/99/22/68/1430992268.db2.gz WZOHHTJUSQQSBB-MRXNPFEDSA-N 1 0 398.511 3.052 20 5 GGBDRO CCc1cc(N[C@@H](C)CC[NH+]2CCN(C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000184826319 1430992362 /nfs/dbraw/zinc/99/23/62/1430992362.db2.gz WZOHHTJUSQQSBB-INIZCTEOSA-N 1 0 398.511 3.052 20 5 GGBDRO CCc1ccc([C@H](COC)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)o1 ZINC000184832573 1430995542 /nfs/dbraw/zinc/99/55/42/1430995542.db2.gz PFAQKWZDIFWUNK-KRWDZBQOSA-N 1 0 375.425 3.365 20 5 GGBDRO CC[NH+]1CCN(c2cccc(NC(=O)NCc3ccccc3[N+](=O)[O-])c2)CC1 ZINC000184912278 1431019267 /nfs/dbraw/zinc/01/92/67/1431019267.db2.gz RPWSMQAKOOMSHL-UHFFFAOYSA-N 1 0 383.452 3.058 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000184984014 1431036290 /nfs/dbraw/zinc/03/62/90/1431036290.db2.gz HFTYKAXEGNRMKM-BKTGTZMESA-N 1 0 397.431 3.205 20 5 GGBDRO C[C@@H](C(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185030998 1431045174 /nfs/dbraw/zinc/04/51/74/1431045174.db2.gz HOVYDTWYKNYZBO-CQSZACIVSA-N 1 0 386.427 3.013 20 5 GGBDRO C[C@@H](C(=O)NCc1ccccc1OCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000185153526 1431073390 /nfs/dbraw/zinc/07/33/90/1431073390.db2.gz UEAMJTDMQGVIRY-CQSZACIVSA-N 1 0 389.427 3.094 20 5 GGBDRO CCN(C)C(=O)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000185186087 1431080041 /nfs/dbraw/zinc/08/00/41/1431080041.db2.gz ZCEMYHRYGJQPTJ-UHFFFAOYSA-N 1 0 393.447 3.015 20 5 GGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)cc1[N+](=O)[O-] ZINC000185291954 1431101226 /nfs/dbraw/zinc/10/12/26/1431101226.db2.gz MQCVLBYRGUNMOD-OAHLLOKOSA-N 1 0 389.477 3.294 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)cc1[N+](=O)[O-] ZINC000185291973 1431101525 /nfs/dbraw/zinc/10/15/25/1431101525.db2.gz MQCVLBYRGUNMOD-HNNXBMFYSA-N 1 0 389.477 3.294 20 5 GGBDRO Cc1c([C@H](C)[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)cccc1[N+](=O)[O-] ZINC000185300700 1431105408 /nfs/dbraw/zinc/10/54/08/1431105408.db2.gz POVFFFUYRNPOOP-HNNXBMFYSA-N 1 0 389.477 3.294 20 5 GGBDRO Cc1ccc([C@@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000185343944 1431120769 /nfs/dbraw/zinc/12/07/69/1431120769.db2.gz GADCSQGEMFSYFP-YLJYHZDGSA-N 1 0 397.475 3.024 20 5 GGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000185343900 1431120987 /nfs/dbraw/zinc/12/09/87/1431120987.db2.gz GADCSQGEMFSYFP-XLIONFOSSA-N 1 0 397.475 3.024 20 5 GGBDRO Cc1c([C@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000185351738 1431123482 /nfs/dbraw/zinc/12/34/82/1431123482.db2.gz GRCZHGVPJRXGIH-FXAWDEMLSA-N 1 0 397.475 3.024 20 5 GGBDRO C[C@@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185373942 1431129054 /nfs/dbraw/zinc/12/90/54/1431129054.db2.gz NABNBFPSXQAGLI-CQSZACIVSA-N 1 0 386.427 3.265 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000185414047 1431139591 /nfs/dbraw/zinc/13/95/91/1431139591.db2.gz LZUCOXNUVZBWMC-HNNXBMFYSA-N 1 0 395.525 3.328 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000185414063 1431139634 /nfs/dbraw/zinc/13/96/34/1431139634.db2.gz LZUCOXNUVZBWMC-OAHLLOKOSA-N 1 0 395.525 3.328 20 5 GGBDRO Cn1cc([C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c2ccc(F)cc2)cn1 ZINC000185442606 1431146233 /nfs/dbraw/zinc/14/62/33/1431146233.db2.gz PDKIJUHMZNRJHW-HXUWFJFHSA-N 1 0 397.410 3.175 20 5 GGBDRO C[C@H](c1ccsc1)N1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000185462236 1431150325 /nfs/dbraw/zinc/15/03/25/1431150325.db2.gz AFXVMXSKVPFODX-OAHLLOKOSA-N 1 0 388.493 3.364 20 5 GGBDRO COc1cccc(N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000185532004 1431165451 /nfs/dbraw/zinc/16/54/51/1431165451.db2.gz YRDZIEARRYCDJI-HOTGVXAUSA-N 1 0 377.485 3.319 20 5 GGBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)[C@@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC000185580382 1431175392 /nfs/dbraw/zinc/17/53/92/1431175392.db2.gz PNLMWIFJEHIUHT-BBRMVZONSA-N 1 0 385.420 3.086 20 5 GGBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC000185607856 1431182417 /nfs/dbraw/zinc/18/24/17/1431182417.db2.gz PEKSXWKYMSRUDV-WWGRRREGSA-N 1 0 385.420 3.085 20 5 GGBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)[C@@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC000185631435 1431189129 /nfs/dbraw/zinc/18/91/29/1431189129.db2.gz JIHFCINSQRODOK-CJNGLKHVSA-N 1 0 385.420 3.086 20 5 GGBDRO C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185669765 1431201108 /nfs/dbraw/zinc/20/11/08/1431201108.db2.gz VRRKKBPHUYXCGT-KBPBESRZSA-N 1 0 394.903 3.429 20 5 GGBDRO C[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185720157 1431215020 /nfs/dbraw/zinc/21/50/20/1431215020.db2.gz BUGJBKLJDNVZDL-HOCLYGCPSA-N 1 0 385.468 3.387 20 5 GGBDRO CC[NH+]1CCC(n2nccc2NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000185772631 1431231401 /nfs/dbraw/zinc/23/14/01/1431231401.db2.gz YEVJQZINBLKASP-CYBMUJFWSA-N 1 0 389.431 3.329 20 5 GGBDRO COc1ccccc1C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000185904711 1431273011 /nfs/dbraw/zinc/27/30/11/1431273011.db2.gz RAFVRCNMSNTGRP-LJQANCHMSA-N 1 0 385.464 3.423 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000186016049 1431311874 /nfs/dbraw/zinc/31/18/74/1431311874.db2.gz WBOLGDFQGUMSLL-QGZVFWFLSA-N 1 0 376.844 3.350 20 5 GGBDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000186034020 1431315973 /nfs/dbraw/zinc/31/59/73/1431315973.db2.gz WKXAMPQOZJWJIU-LJQANCHMSA-N 1 0 389.477 3.376 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000186071085 1431324180 /nfs/dbraw/zinc/32/41/80/1431324180.db2.gz WCLYLHUBSYCSJE-UHFFFAOYSA-N 1 0 387.358 3.075 20 5 GGBDRO CSc1cccc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000186119495 1431334358 /nfs/dbraw/zinc/33/43/58/1431334358.db2.gz QHWNTUOZZZRMMR-UHFFFAOYSA-N 1 0 385.489 3.495 20 5 GGBDRO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1NC(=O)CC[NH+](C)C ZINC000186209294 1431353084 /nfs/dbraw/zinc/35/30/84/1431353084.db2.gz XPCIVLDTSSLRTC-UHFFFAOYSA-N 1 0 388.399 3.185 20 5 GGBDRO Cc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1NC(=O)CC[NH+](C)C ZINC000186267197 1431366533 /nfs/dbraw/zinc/36/65/33/1431366533.db2.gz IUMGKDVGUSONAK-UHFFFAOYSA-N 1 0 384.436 3.354 20 5 GGBDRO CCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186298215 1431374922 /nfs/dbraw/zinc/37/49/22/1431374922.db2.gz ZXRTUAVRPUUUJT-SFHVURJKSA-N 1 0 383.448 3.340 20 5 GGBDRO CCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186335923 1431386216 /nfs/dbraw/zinc/38/62/16/1431386216.db2.gz WPTPCJMTEOWBRR-GOSISDBHSA-N 1 0 383.448 3.340 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCCO[C@H]1CC(C)C ZINC000186399384 1431401351 /nfs/dbraw/zinc/40/13/51/1431401351.db2.gz GTGRRPDKURPBLT-QAPCUYQASA-N 1 0 379.457 3.115 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)C1CC1 ZINC000186434739 1431418806 /nfs/dbraw/zinc/41/88/06/1431418806.db2.gz BZVKMGBGYQUIRY-GOSISDBHSA-N 1 0 393.447 3.403 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186663152 1431484803 /nfs/dbraw/zinc/48/48/03/1431484803.db2.gz CHQXRTVOZLOICA-NRFANRHFSA-N 1 0 381.432 3.363 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186687913 1431492827 /nfs/dbraw/zinc/49/28/27/1431492827.db2.gz ZGSSERUYZJQFGT-OAQYLSRUSA-N 1 0 397.431 3.063 20 5 GGBDRO CCOC(=O)C[C@](C)([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C ZINC000186704223 1431496257 /nfs/dbraw/zinc/49/62/57/1431496257.db2.gz FYPIELBZPYWUSZ-SFHVURJKSA-N 1 0 376.413 3.102 20 5 GGBDRO C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000186711199 1431498137 /nfs/dbraw/zinc/49/81/37/1431498137.db2.gz FVRAXUHPFXCMSG-ZDUSSCGKSA-N 1 0 393.440 3.125 20 5 GGBDRO CCOC(=O)C[C@@](C)([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000186711853 1431498735 /nfs/dbraw/zinc/49/87/35/1431498735.db2.gz OZXJRSSEOORKRF-QGZVFWFLSA-N 1 0 385.848 3.144 20 5 GGBDRO COc1cc(CN(C)CC2([NH+](C)C)CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000186938863 1431571906 /nfs/dbraw/zinc/57/19/06/1431571906.db2.gz CHGZSVPLPZGILR-UHFFFAOYSA-N 1 0 387.427 3.163 20 5 GGBDRO CSc1cccc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000186959211 1431577114 /nfs/dbraw/zinc/57/71/14/1431577114.db2.gz XBMOYOJYPZTFAJ-UHFFFAOYSA-N 1 0 386.477 3.358 20 5 GGBDRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187040849 1431597967 /nfs/dbraw/zinc/59/79/67/1431597967.db2.gz OAXVPUVLTACGHW-UHFFFAOYSA-N 1 0 384.436 3.001 20 5 GGBDRO C[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@H](c1ccccc1)[NH+](C)C ZINC000187241900 1431661711 /nfs/dbraw/zinc/66/17/11/1431661711.db2.gz RYVNTRQFZFBEEN-FOIQADDNSA-N 1 0 393.447 3.202 20 5 GGBDRO COc1cc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000187253915 1431667668 /nfs/dbraw/zinc/66/76/68/1431667668.db2.gz FPQDCIPPECOQIF-DJJJIMSYSA-N 1 0 387.436 3.033 20 5 GGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cnn(Cc4ccc(F)cc4)c3)C2)nc1 ZINC000187341373 1431702841 /nfs/dbraw/zinc/70/28/41/1431702841.db2.gz PISJSFIPRSSLKB-GOSISDBHSA-N 1 0 396.426 3.060 20 5 GGBDRO Cn1cc(C[NH2+]CCc2nn(C)c3ccccc23)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000187393291 1431717650 /nfs/dbraw/zinc/71/76/50/1431717650.db2.gz XGMWSYVBENVAGS-UHFFFAOYSA-N 1 0 390.447 3.214 20 5 GGBDRO COc1ccc(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000187607735 1431778031 /nfs/dbraw/zinc/77/80/31/1431778031.db2.gz XBPIXSUCAVWGBL-LJQANCHMSA-N 1 0 383.448 3.244 20 5 GGBDRO CC[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H](C)Cc1ccsc1 ZINC000187807527 1431814683 /nfs/dbraw/zinc/81/46/83/1431814683.db2.gz GENNVLLEVUABRV-LBPRGKRZSA-N 1 0 391.449 3.277 20 5 GGBDRO COc1cc(C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000187922606 1431827629 /nfs/dbraw/zinc/82/76/29/1431827629.db2.gz BYYVHLFLEUCYKJ-UHFFFAOYSA-N 1 0 387.436 3.413 20 5 GGBDRO CSc1cccc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)c1[N+](=O)[O-] ZINC000188155857 1431854080 /nfs/dbraw/zinc/85/40/80/1431854080.db2.gz WJNGYRSGBUWHNR-UHFFFAOYSA-N 1 0 393.509 3.082 20 5 GGBDRO CSc1cccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000188246603 1431865437 /nfs/dbraw/zinc/86/54/37/1431865437.db2.gz KHCPVHUVFFCYCW-CZUORRHYSA-N 1 0 375.494 3.406 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188304607 1431871209 /nfs/dbraw/zinc/87/12/09/1431871209.db2.gz HMXFODRAFBCDCR-OAQYLSRUSA-N 1 0 398.463 3.004 20 5 GGBDRO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000188325029 1431873355 /nfs/dbraw/zinc/87/33/55/1431873355.db2.gz VEHXEXZCWVAVLV-OAHLLOKOSA-N 1 0 389.477 3.328 20 5 GGBDRO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188328436 1431873698 /nfs/dbraw/zinc/87/36/98/1431873698.db2.gz KWZDSFOZZBHKTA-HXUWFJFHSA-N 1 0 389.883 3.317 20 5 GGBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000188421582 1431882828 /nfs/dbraw/zinc/88/28/28/1431882828.db2.gz GWAVNGCJXSZBOV-UWJYYQICSA-N 1 0 394.475 3.304 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188633799 1431911322 /nfs/dbraw/zinc/91/13/22/1431911322.db2.gz HHJFUWBQFOPDEB-INIZCTEOSA-N 1 0 390.484 3.022 20 5 GGBDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000188980309 1432021002 /nfs/dbraw/zinc/02/10/02/1432021002.db2.gz BCDWLVKUWHVJDT-RHSMWYFYSA-N 1 0 375.375 3.057 20 5 GGBDRO COc1cc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000189076184 1432040475 /nfs/dbraw/zinc/04/04/75/1432040475.db2.gz PKPRCEVQLJXIBW-KRWDZBQOSA-N 1 0 375.400 3.084 20 5 GGBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000189406232 1432099759 /nfs/dbraw/zinc/09/97/59/1432099759.db2.gz ZJSLWLODMQKCGQ-GOSISDBHSA-N 1 0 389.452 3.473 20 5 GGBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1C[NH+]1CCCC1 ZINC000189594023 1432170262 /nfs/dbraw/zinc/17/02/62/1432170262.db2.gz BNTBXOMYHJEJHZ-UHFFFAOYSA-N 1 0 389.477 3.206 20 5 GGBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000189683072 1432202550 /nfs/dbraw/zinc/20/25/50/1432202550.db2.gz AXQMCPGIHWMWAZ-GJZGRUSLSA-N 1 0 383.514 3.168 20 5 GGBDRO COc1cc(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc([N+](=O)[O-])c1C ZINC000189687698 1432204707 /nfs/dbraw/zinc/20/47/07/1432204707.db2.gz GCXLBVRWCNMGIM-HNNXBMFYSA-N 1 0 398.463 3.262 20 5 GGBDRO CC[C@@](C)(O)C[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000189727937 1432217087 /nfs/dbraw/zinc/21/70/87/1432217087.db2.gz PLGNHCOTFLJUPU-OAQYLSRUSA-N 1 0 385.464 3.221 20 5 GGBDRO CC[C@](C)(O)C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccccc1 ZINC000189739827 1432220587 /nfs/dbraw/zinc/22/05/87/1432220587.db2.gz DGBSDSPCVIARBD-QFIPXVFZSA-N 1 0 397.475 3.147 20 5 GGBDRO Cn1cc(C[NH2+]CC[C@@](C)(O)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000189846182 1432251958 /nfs/dbraw/zinc/25/19/58/1432251958.db2.gz NBRDFHHSQBVYBE-OAQYLSRUSA-N 1 0 380.448 3.383 20 5 GGBDRO COc1cc(C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)cc([N+](=O)[O-])c1C ZINC000189866769 1432257526 /nfs/dbraw/zinc/25/75/26/1432257526.db2.gz GVLUWDRNLFOGIO-UHFFFAOYSA-N 1 0 399.447 3.121 20 5 GGBDRO COc1cc(C[NH2+][C@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000189968351 1432292530 /nfs/dbraw/zinc/29/25/30/1432292530.db2.gz DFEPKVHFTLLTJT-YPMHNXCESA-N 1 0 392.374 3.185 20 5 GGBDRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)cc([N+](=O)[O-])c1C ZINC000190483017 1432390249 /nfs/dbraw/zinc/39/02/49/1432390249.db2.gz FOJNIYGEIAPBKL-UHFFFAOYSA-N 1 0 389.427 3.255 20 5 GGBDRO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000190682584 1432441681 /nfs/dbraw/zinc/44/16/81/1432441681.db2.gz VUKIDUYCQPKTAW-UHFFFAOYSA-N 1 0 383.370 3.386 20 5 GGBDRO COc1cc(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)cc([N+](=O)[O-])c1C ZINC000190967680 1432539947 /nfs/dbraw/zinc/53/99/47/1432539947.db2.gz HOVZVHINAZYEDO-QGZVFWFLSA-N 1 0 387.436 3.380 20 5 GGBDRO COc1cc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000191299591 1432624495 /nfs/dbraw/zinc/62/44/95/1432624495.db2.gz YHDLQGSTPHKEJM-QGZVFWFLSA-N 1 0 375.400 3.084 20 5 GGBDRO COc1cc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000191299576 1432624573 /nfs/dbraw/zinc/62/45/73/1432624573.db2.gz YHDLQGSTPHKEJM-KRWDZBQOSA-N 1 0 375.400 3.084 20 5 GGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000191320748 1432631320 /nfs/dbraw/zinc/63/13/20/1432631320.db2.gz BVIOIISHKNVGEX-UHFFFAOYSA-N 1 0 383.452 3.393 20 5 GGBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000191372080 1432644203 /nfs/dbraw/zinc/64/42/03/1432644203.db2.gz FOLXFFBXSWYSSH-DLBZAZTESA-N 1 0 379.457 3.115 20 5 GGBDRO CCC1(CC)[C@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1OC ZINC000191379403 1432646360 /nfs/dbraw/zinc/64/63/60/1432646360.db2.gz GTKKXFLTQYKEEX-SJORKVTESA-N 1 0 379.457 3.115 20 5 GGBDRO CCC[C@H]1CN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC[N@@H+]1CCOC ZINC000191413265 1432656937 /nfs/dbraw/zinc/65/69/37/1432656937.db2.gz WQNLPCGWFZKRPE-INIZCTEOSA-N 1 0 378.473 3.176 20 5 GGBDRO CCCn1ccnc1CCC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000191473056 1432668209 /nfs/dbraw/zinc/66/82/09/1432668209.db2.gz QLQFOAYOWHNUDG-UHFFFAOYSA-N 1 0 387.484 3.403 20 5 GGBDRO CCCn1ccnc1CCC[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000191478882 1432668715 /nfs/dbraw/zinc/66/87/15/1432668715.db2.gz XBHRWEUMXHCGCW-UHFFFAOYSA-N 1 0 393.875 3.358 20 5 GGBDRO CCCn1ccnc1CCC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000191477102 1432668807 /nfs/dbraw/zinc/66/88/07/1432668807.db2.gz MZMXDFREBZYCOA-UHFFFAOYSA-N 1 0 391.447 3.234 20 5 GGBDRO CCOc1ccc([C@H](C)[NH2+]CCN2CCc3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000191621718 1432694351 /nfs/dbraw/zinc/69/43/51/1432694351.db2.gz RACMCZIBHUMXGC-HNNXBMFYSA-N 1 0 383.448 3.343 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(c2ccncc2)CC1 ZINC000191638667 1432698403 /nfs/dbraw/zinc/69/84/03/1432698403.db2.gz QNNZLJZDLMMPIL-UHFFFAOYSA-N 1 0 384.436 3.207 20 5 GGBDRO Cc1cc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1[N+](=O)[O-] ZINC000191929490 1432758097 /nfs/dbraw/zinc/75/80/97/1432758097.db2.gz QUMXJFLHDXKQHW-IBGZPJMESA-N 1 0 398.463 3.316 20 5 GGBDRO C[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000191946483 1432762618 /nfs/dbraw/zinc/76/26/18/1432762618.db2.gz JDIJZIULAKCEMX-UHFFFAOYSA-N 1 0 393.440 3.023 20 5 GGBDRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000191947595 1432763216 /nfs/dbraw/zinc/76/32/16/1432763216.db2.gz LRFRMUDUFWOKFS-UHFFFAOYSA-N 1 0 391.855 3.461 20 5 GGBDRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1 ZINC000191956783 1432767405 /nfs/dbraw/zinc/76/74/05/1432767405.db2.gz HEKPXIMXCLGKJV-UHFFFAOYSA-N 1 0 391.855 3.461 20 5 GGBDRO CC[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000191977544 1432773453 /nfs/dbraw/zinc/77/34/53/1432773453.db2.gz SJXZYMBVZDHMBO-UHFFFAOYSA-N 1 0 389.477 3.274 20 5 GGBDRO CN(C(=O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000192024014 1432781075 /nfs/dbraw/zinc/78/10/75/1432781075.db2.gz MZGGJJUFUUPMOA-PKOBYXMFSA-N 1 0 389.839 3.331 20 5 GGBDRO O=C(C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000192024411 1432781085 /nfs/dbraw/zinc/78/10/85/1432781085.db2.gz YREHWXIKDJQNGB-QAPCUYQASA-N 1 0 375.812 3.307 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192058178 1432789908 /nfs/dbraw/zinc/78/99/08/1432789908.db2.gz GCZWBWNGDJRYRK-FRQCXROJSA-N 1 0 392.839 3.108 20 5 GGBDRO O=C(C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000192075570 1432793443 /nfs/dbraw/zinc/79/34/43/1432793443.db2.gz IMUWACAMHUJLMU-CRAIPNDOSA-N 1 0 393.802 3.446 20 5 GGBDRO O=C(C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000192075588 1432793707 /nfs/dbraw/zinc/79/37/07/1432793707.db2.gz IMUWACAMHUJLMU-YJBOKZPZSA-N 1 0 393.802 3.446 20 5 GGBDRO NC(=O)c1ccc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 ZINC000192093468 1432797173 /nfs/dbraw/zinc/79/71/73/1432797173.db2.gz CXVWGRFYCYDBTP-NVXWUHKLSA-N 1 0 393.802 3.106 20 5 GGBDRO Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000192107473 1432799504 /nfs/dbraw/zinc/79/95/04/1432799504.db2.gz QRGBICVTUNTYPJ-KRWDZBQOSA-N 1 0 378.436 3.170 20 5 GGBDRO O=C(CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000192125761 1432802190 /nfs/dbraw/zinc/80/21/90/1432802190.db2.gz NAIZTOHMCAWDFO-IEBWSBKVSA-N 1 0 391.374 3.321 20 5 GGBDRO Cc1cc(C)c(S(=O)(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000192135214 1432804344 /nfs/dbraw/zinc/80/43/44/1432804344.db2.gz DYQBISTXIPZYDF-CVEARBPZSA-N 1 0 395.525 3.143 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+]CCN(Cc2ccccc2)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000192162380 1432810216 /nfs/dbraw/zinc/81/02/16/1432810216.db2.gz GQEKDYUZYJPKAJ-INIZCTEOSA-N 1 0 391.493 3.016 20 5 GGBDRO O=[N+]([O-])c1ccccc1/C=C/CNC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192356487 1432836252 /nfs/dbraw/zinc/83/62/52/1432836252.db2.gz IYUYPQHEJHSAPP-VWMRQFFHSA-N 1 0 381.476 3.489 20 5 GGBDRO O=[N+]([O-])c1ccccc1/C=C/CNC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192356493 1432836289 /nfs/dbraw/zinc/83/62/89/1432836289.db2.gz IYUYPQHEJHSAPP-LTSKSLEPSA-N 1 0 381.476 3.489 20 5 GGBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCCc3c(O)cccc32)c([N+](=O)[O-])c1 ZINC000192360222 1432836764 /nfs/dbraw/zinc/83/67/64/1432836764.db2.gz UNAMLOYPTJMQHN-LRDDRELGSA-N 1 0 385.420 3.303 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192360454 1432836800 /nfs/dbraw/zinc/83/68/00/1432836800.db2.gz CUFSCNJFTOHDQS-MRXNPFEDSA-N 1 0 385.420 3.305 20 5 GGBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CCCc3c(O)cccc32)c([N+](=O)[O-])c1 ZINC000192365902 1432837780 /nfs/dbraw/zinc/83/77/80/1432837780.db2.gz DPOGVDXAWICURE-MRXNPFEDSA-N 1 0 385.420 3.305 20 5 GGBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000192509196 1432852642 /nfs/dbraw/zinc/85/26/42/1432852642.db2.gz GCTGDVNODCPULO-UHFFFAOYSA-N 1 0 386.500 3.134 20 5 GGBDRO COc1cccc([C@@H](C)N2CCN(C(=O)c3cccc(OC)c3[N+](=O)[O-])CC2)c1 ZINC000192523272 1432854625 /nfs/dbraw/zinc/85/46/25/1432854625.db2.gz OUUHDUKXRUETCF-OAHLLOKOSA-N 1 0 399.447 3.131 20 5 GGBDRO COc1cccc(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1[N+](=O)[O-] ZINC000192573823 1432861745 /nfs/dbraw/zinc/86/17/45/1432861745.db2.gz QRNFIODLLPCYPX-CVEARBPZSA-N 1 0 375.469 3.330 20 5 GGBDRO COc1ccccc1[C@H](CNC(=O)c1c(C)cccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000192912652 1432906419 /nfs/dbraw/zinc/90/64/19/1432906419.db2.gz PEOQMRKZWQCBAE-SFHVURJKSA-N 1 0 383.448 3.479 20 5 GGBDRO O=C(NCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1c(F)cccc1F ZINC000192991722 1432918384 /nfs/dbraw/zinc/91/83/84/1432918384.db2.gz GURSKNLCRMRXFY-KRWDZBQOSA-N 1 0 375.375 3.270 20 5 GGBDRO COc1ccc(CN2CC[C@H]([NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)C2=O)cc1 ZINC000192998945 1432919612 /nfs/dbraw/zinc/91/96/12/1432919612.db2.gz KFAOYBCLYYMFQK-SFTDATJTSA-N 1 0 395.459 3.372 20 5 GGBDRO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193316186 1432978043 /nfs/dbraw/zinc/97/80/43/1432978043.db2.gz KHPHWFMQTIMXMZ-HNNXBMFYSA-N 1 0 384.354 3.485 20 5 GGBDRO COc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000193344629 1432983042 /nfs/dbraw/zinc/98/30/42/1432983042.db2.gz LKUHCYDGFHSIQR-FQEVSTJZSA-N 1 0 385.420 3.291 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000193400321 1432991524 /nfs/dbraw/zinc/99/15/24/1432991524.db2.gz IXRSMFMEGPCEAT-IBGZPJMESA-N 1 0 398.463 3.240 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000193443373 1433000103 /nfs/dbraw/zinc/00/01/03/1433000103.db2.gz CCGRGLKXGBHAFH-MRXNPFEDSA-N 1 0 397.479 3.379 20 5 GGBDRO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)ccc21 ZINC000193494535 1433008765 /nfs/dbraw/zinc/00/87/65/1433008765.db2.gz PXCWNJXUUUBXGJ-UHFFFAOYSA-N 1 0 397.435 3.244 20 5 GGBDRO COc1ccc(NC(=O)CSCC[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000193638466 1433032354 /nfs/dbraw/zinc/03/23/54/1433032354.db2.gz PBDLAXUZSBXKNW-UHFFFAOYSA-N 1 0 389.477 3.407 20 5 GGBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000193695533 1433042325 /nfs/dbraw/zinc/04/23/25/1433042325.db2.gz ULEKMDRFEXWLQS-UHFFFAOYSA-N 1 0 398.891 3.013 20 5 GGBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CCC[N@H+](Cc4ccccc4)CC3)cc2N1 ZINC000193715460 1433045727 /nfs/dbraw/zinc/04/57/27/1433045727.db2.gz JQYUFQAJISJCSY-UHFFFAOYSA-N 1 0 380.448 3.192 20 5 GGBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CCC[N@H+](Cc4ccc(F)cc4)CC3)cc2N1 ZINC000193746313 1433051165 /nfs/dbraw/zinc/05/11/65/1433051165.db2.gz WYIGOEXLNVHWAH-UHFFFAOYSA-N 1 0 398.438 3.331 20 5 GGBDRO Cc1cc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000193746266 1433051241 /nfs/dbraw/zinc/05/12/41/1433051241.db2.gz VFCVSSMGPXVNSD-LJQANCHMSA-N 1 0 398.463 3.182 20 5 GGBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193774427 1433056771 /nfs/dbraw/zinc/05/67/71/1433056771.db2.gz HVDVFHVXTYTNJZ-QGZVFWFLSA-N 1 0 385.489 3.325 20 5 GGBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000193803262 1433062948 /nfs/dbraw/zinc/06/29/48/1433062948.db2.gz YMTDLWYYWLZWKQ-CQSZACIVSA-N 1 0 375.375 3.125 20 5 GGBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000193826594 1433067645 /nfs/dbraw/zinc/06/76/45/1433067645.db2.gz VHAMWEIWMRUQQV-FQEVSTJZSA-N 1 0 382.464 3.274 20 5 GGBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)COc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000193844827 1433071917 /nfs/dbraw/zinc/07/19/17/1433071917.db2.gz LYSBELINPULIDI-UHFFFAOYSA-N 1 0 397.475 3.371 20 5 GGBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000193861270 1433074830 /nfs/dbraw/zinc/07/48/30/1433074830.db2.gz BOJGZFZPEPULIG-UHFFFAOYSA-N 1 0 382.464 3.101 20 5 GGBDRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000193944327 1433090012 /nfs/dbraw/zinc/09/00/12/1433090012.db2.gz LGBHYUZNDGRIFX-HNNXBMFYSA-N 1 0 398.463 3.253 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000193946177 1433090190 /nfs/dbraw/zinc/09/01/90/1433090190.db2.gz KBKGTMWWZAZXPR-SFHVURJKSA-N 1 0 398.463 3.067 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000193947259 1433090322 /nfs/dbraw/zinc/09/03/22/1433090322.db2.gz BFQICYKCJMBSFO-IYBDPMFKSA-N 1 0 392.500 3.161 20 5 GGBDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1O2 ZINC000193957085 1433092064 /nfs/dbraw/zinc/09/20/64/1433092064.db2.gz NJTSDZDBDCEIQS-IBGZPJMESA-N 1 0 395.459 3.242 20 5 GGBDRO COc1cc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000193999169 1433098612 /nfs/dbraw/zinc/09/86/12/1433098612.db2.gz MLDWUXZDGPMTFE-LLVKDONJSA-N 1 0 382.367 3.308 20 5 GGBDRO CCN(C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000194029444 1433103823 /nfs/dbraw/zinc/10/38/23/1433103823.db2.gz ZDLWJZDSKROUDL-GFCCVEGCSA-N 1 0 390.362 3.209 20 5 GGBDRO COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000194055776 1433108958 /nfs/dbraw/zinc/10/89/58/1433108958.db2.gz XORROKAXRUUPGF-UONOGXRCSA-N 1 0 385.420 3.368 20 5 GGBDRO O=C(NCC[NH+]1CCCCC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000194267694 1433152895 /nfs/dbraw/zinc/15/28/95/1433152895.db2.gz NVWFXOUUSYOJEG-UHFFFAOYSA-N 1 0 383.448 3.390 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(OCCC(C)C)CC1 ZINC000194339911 1433163842 /nfs/dbraw/zinc/16/38/42/1433163842.db2.gz VFHMPLCFBOTYMG-UHFFFAOYSA-N 1 0 393.484 3.459 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000194399563 1433172309 /nfs/dbraw/zinc/17/23/09/1433172309.db2.gz QYPRGYWFMBWJAJ-IAGOWNOFSA-N 1 0 397.475 3.442 20 5 GGBDRO C[C@@H](NC(=O)NCc1cccc(OCC[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000194431469 1433176884 /nfs/dbraw/zinc/17/68/84/1433176884.db2.gz PVURIXLHZJSEFG-OAHLLOKOSA-N 1 0 386.452 3.096 20 5 GGBDRO C[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000194507991 1433189750 /nfs/dbraw/zinc/18/97/50/1433189750.db2.gz JOMFKZSCJOGFDD-HNNXBMFYSA-N 1 0 392.525 3.317 20 5 GGBDRO COc1cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000194538548 1433194201 /nfs/dbraw/zinc/19/42/01/1433194201.db2.gz PQVGDNIWMBKDPK-KDURUIRLSA-N 1 0 397.475 3.176 20 5 GGBDRO COc1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000194614635 1433205503 /nfs/dbraw/zinc/20/55/03/1433205503.db2.gz FZSSTOZQZNWWRB-NVXWUHKLSA-N 1 0 383.448 3.386 20 5 GGBDRO COc1cccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000194614681 1433205567 /nfs/dbraw/zinc/20/55/67/1433205567.db2.gz FZSSTOZQZNWWRB-RDJZCZTQSA-N 1 0 383.448 3.386 20 5 GGBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000194621404 1433206882 /nfs/dbraw/zinc/20/68/82/1433206882.db2.gz IXYKIJKZJUTYJR-UHFFFAOYSA-N 1 0 375.375 3.267 20 5 GGBDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000194855824 1433249521 /nfs/dbraw/zinc/24/95/21/1433249521.db2.gz MWGXQTKFFOOAKJ-LJQANCHMSA-N 1 0 388.424 3.056 20 5 GGBDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000194855837 1433249576 /nfs/dbraw/zinc/24/95/76/1433249576.db2.gz MWGXQTKFFOOAKJ-IBGZPJMESA-N 1 0 388.424 3.056 20 5 GGBDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000194860902 1433250585 /nfs/dbraw/zinc/25/05/85/1433250585.db2.gz DQHQKHKNIUJXRM-IBGZPJMESA-N 1 0 388.424 3.056 20 5 GGBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000194928835 1433266534 /nfs/dbraw/zinc/26/65/34/1433266534.db2.gz NPFLYFCUQQQKQD-UHFFFAOYSA-N 1 0 383.448 3.097 20 5 GGBDRO CCC[C@]1(COC)CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000194939527 1433268756 /nfs/dbraw/zinc/26/87/56/1433268756.db2.gz BLESQLFRQQDMHJ-LJQANCHMSA-N 1 0 379.457 3.213 20 5 GGBDRO COc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)[NH+]2CCCCC2)cc1 ZINC000195128889 1433296526 /nfs/dbraw/zinc/29/65/26/1433296526.db2.gz HFZRKWNQJHTBHU-HXUWFJFHSA-N 1 0 398.463 3.143 20 5 GGBDRO O=C(Nc1ccccc1O)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000195195825 1433305901 /nfs/dbraw/zinc/30/59/01/1433305901.db2.gz RSLNKINGLIREQF-UHFFFAOYSA-N 1 0 385.420 3.030 20 5 GGBDRO O=C(NCCC[NH+]1CCCC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000195313576 1433318115 /nfs/dbraw/zinc/31/81/15/1433318115.db2.gz OASIVZIACKETOX-UHFFFAOYSA-N 1 0 383.448 3.390 20 5 GGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(OC)c1[N+](=O)[O-])Cc1ccccc1 ZINC000195418022 1433327746 /nfs/dbraw/zinc/32/77/46/1433327746.db2.gz WBWTYVMDEXLSJL-QGZVFWFLSA-N 1 0 385.464 3.286 20 5 GGBDRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(OC)c1[N+](=O)[O-])Cc1ccccc1 ZINC000195418015 1433327794 /nfs/dbraw/zinc/32/77/94/1433327794.db2.gz WBWTYVMDEXLSJL-KRWDZBQOSA-N 1 0 385.464 3.286 20 5 GGBDRO COc1cccc(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1[N+](=O)[O-] ZINC000195432044 1433329144 /nfs/dbraw/zinc/32/91/44/1433329144.db2.gz XWMXVQBWCFETCI-UHFFFAOYSA-N 1 0 383.448 3.306 20 5 GGBDRO COc1cccc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000195435666 1433329422 /nfs/dbraw/zinc/32/94/22/1433329422.db2.gz SROYBNCDPWEDHS-UHFFFAOYSA-N 1 0 387.411 3.137 20 5 GGBDRO CCOC1CC(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)(N2CCOCC2)C1 ZINC000195459583 1433332575 /nfs/dbraw/zinc/33/25/75/1433332575.db2.gz UCQRYMNFZIILSN-UHFFFAOYSA-N 1 0 391.512 3.078 20 5 GGBDRO CCc1cc(NC[C@@H]2C[N@H+](CC(C)C)CCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000195607710 1433341588 /nfs/dbraw/zinc/34/15/88/1433341588.db2.gz JWXIKWHERNDZJH-LJQANCHMSA-N 1 0 399.495 3.383 20 5 GGBDRO CC[NH+](CC)CCN(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000195707488 1433345418 /nfs/dbraw/zinc/34/54/18/1433345418.db2.gz VEOPZYXXNDBXNY-UHFFFAOYSA-N 1 0 391.493 3.128 20 5 GGBDRO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000227683837 1433370395 /nfs/dbraw/zinc/37/03/95/1433370395.db2.gz QREWMASUEPZVPB-WBAXXEDZSA-N 1 0 389.452 3.038 20 5 GGBDRO CC1CCN(c2ccc(C(=O)NC[C@H]([NH3+])c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000236670547 1433375811 /nfs/dbraw/zinc/37/58/11/1433375811.db2.gz GORHDTIGESTHMD-SFHVURJKSA-N 1 0 382.464 3.261 20 5 GGBDRO CC(C)c1ccc(CNC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000236717617 1433376740 /nfs/dbraw/zinc/37/67/40/1433376740.db2.gz XRKFIGHZCFRZAH-HXUWFJFHSA-N 1 0 383.492 3.227 20 5 GGBDRO CCCN(C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000236849082 1433380915 /nfs/dbraw/zinc/38/09/15/1433380915.db2.gz FVCKHOPYGUBGFH-UHFFFAOYSA-N 1 0 388.512 3.435 20 5 GGBDRO CN(C)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000237022877 1433386044 /nfs/dbraw/zinc/38/60/44/1433386044.db2.gz NVYHCPCTDPNQGH-HXUWFJFHSA-N 1 0 379.464 3.388 20 5 GGBDRO C[NH2+]CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)CC1 ZINC000237069932 1433387880 /nfs/dbraw/zinc/38/78/80/1433387880.db2.gz BJUXBURTECSUJU-UHFFFAOYSA-N 1 0 399.447 3.467 20 5 GGBDRO C[NH2+]CC1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000237082615 1433388518 /nfs/dbraw/zinc/38/85/18/1433388518.db2.gz ZLZYHWUHCYSWNC-UHFFFAOYSA-N 1 0 382.464 3.279 20 5 GGBDRO COc1ccc(C[NH2+]CCn2cccn2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237164640 1433391148 /nfs/dbraw/zinc/39/11/48/1433391148.db2.gz ULZAJCHZQNOAFQ-UHFFFAOYSA-N 1 0 382.420 3.169 20 5 GGBDRO CN(CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000237159626 1433391223 /nfs/dbraw/zinc/39/12/23/1433391223.db2.gz JTWXRLHIZXSAIR-UHFFFAOYSA-N 1 0 379.464 3.217 20 5 GGBDRO COc1cc(C[NH2+]CCOc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1O ZINC000237181573 1433391637 /nfs/dbraw/zinc/39/16/37/1433391637.db2.gz ULIPHWMFEXIEJF-UHFFFAOYSA-N 1 0 386.326 3.496 20 5 GGBDRO COc1cc(C[NH2+]C[C@@H]2CCCOC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237243305 1433393929 /nfs/dbraw/zinc/39/39/29/1433393929.db2.gz PTIVCGAOZMNTEH-NSHDSACASA-N 1 0 378.347 3.061 20 5 GGBDRO COc1cc(C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000237262100 1433394770 /nfs/dbraw/zinc/39/47/70/1433394770.db2.gz SQWARCZBQQUPET-INIZCTEOSA-N 1 0 387.436 3.165 20 5 GGBDRO COc1cc(C[NH2+]C[C@H]2CCCN2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237277925 1433395592 /nfs/dbraw/zinc/39/55/92/1433395592.db2.gz JYNONHTYTQSTEZ-GOSISDBHSA-N 1 0 385.464 3.366 20 5 GGBDRO CS(=O)(=O)CCC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000237300453 1433396334 /nfs/dbraw/zinc/39/63/34/1433396334.db2.gz ZJFQVGMYDDCOHL-UHFFFAOYSA-N 1 0 382.413 3.051 20 5 GGBDRO CSc1ccc(C(=O)c2ccccc2C(=O)NCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000237313477 1433396783 /nfs/dbraw/zinc/39/67/83/1433396783.db2.gz OACRYZJLFJQFEI-UHFFFAOYSA-N 1 0 387.461 3.015 20 5 GGBDRO COc1ccc([C@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])N2CCOCC2)cc1 ZINC000237330155 1433397693 /nfs/dbraw/zinc/39/76/93/1433397693.db2.gz JYNQZCUAEYFXJK-LHXJMTLCSA-N 1 0 397.475 3.280 20 5 GGBDRO COc1cccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1OC ZINC000237390223 1433400393 /nfs/dbraw/zinc/40/03/93/1433400393.db2.gz MFJPFYITAWOLAU-UHFFFAOYSA-N 1 0 382.420 3.302 20 5 GGBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000237450245 1433403594 /nfs/dbraw/zinc/40/35/94/1433403594.db2.gz VWZHYYZZLYHMSO-DFGXFYAUSA-N 1 0 388.512 3.277 20 5 GGBDRO C[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)N1CCOCC1 ZINC000237579917 1433410702 /nfs/dbraw/zinc/41/07/02/1433410702.db2.gz GHGCKJVWTJOBRA-CYBMUJFWSA-N 1 0 379.844 3.319 20 5 GGBDRO Cc1ccc([C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)N2CCOCC2)o1 ZINC000237629591 1433413713 /nfs/dbraw/zinc/41/37/13/1433413713.db2.gz OXOJMKDEVFAUJN-KRWDZBQOSA-N 1 0 379.844 3.313 20 5 GGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000237681644 1433416683 /nfs/dbraw/zinc/41/66/83/1433416683.db2.gz XKKNNBNVTQFGCN-CALCHBBNSA-N 1 0 385.512 3.453 20 5 GGBDRO O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000237689350 1433417132 /nfs/dbraw/zinc/41/71/32/1433417132.db2.gz RTDBJIJNXHNUJL-GFCCVEGCSA-N 1 0 393.802 3.405 20 5 GGBDRO Cn1cc(C[NH2+]CCc2ccc3c(c2)OCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237762119 1433421518 /nfs/dbraw/zinc/42/15/18/1433421518.db2.gz HEPXUTOUILOXLN-UHFFFAOYSA-N 1 0 380.404 3.056 20 5 GGBDRO Cn1cc(C[NH2+]Cc2ccc(OCC3CC3)nc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237777349 1433423310 /nfs/dbraw/zinc/42/33/10/1433423310.db2.gz JQJRHCNBRNBZMV-UHFFFAOYSA-N 1 0 393.447 3.469 20 5 GGBDRO [NH3+]C[C@@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000238089926 1433442474 /nfs/dbraw/zinc/44/24/74/1433442474.db2.gz GDTARVJRLZWLTL-CQSZACIVSA-N 1 0 389.374 3.173 20 5 GGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCCN2CCC(O)CC2)s1 ZINC000238151679 1433444328 /nfs/dbraw/zinc/44/43/28/1433444328.db2.gz DUBYWDJSOOIOJQ-UHFFFAOYSA-N 1 0 375.494 3.260 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000245408650 1433462263 /nfs/dbraw/zinc/46/22/63/1433462263.db2.gz IGYHWESQLJNFKJ-CRAIPNDOSA-N 1 0 377.485 3.024 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000245439609 1433467860 /nfs/dbraw/zinc/46/78/60/1433467860.db2.gz FXZPNWFKEBMXQH-DNVCBOLYSA-N 1 0 399.447 3.394 20 5 GGBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000245441147 1433468283 /nfs/dbraw/zinc/46/82/83/1433468283.db2.gz HCCKQTRPLFCOLP-UONOGXRCSA-N 1 0 382.892 3.381 20 5 GGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000245454035 1433470877 /nfs/dbraw/zinc/47/08/77/1433470877.db2.gz RPRCNYTYNSXJIZ-FUHWJXTLSA-N 1 0 383.448 3.461 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1C[C@H](O)CN1Cc1ccccc1)C1CC1 ZINC000245570626 1433486795 /nfs/dbraw/zinc/48/67/95/1433486795.db2.gz BINPGLYEPCPJJZ-FKBYEOEOSA-N 1 0 395.503 3.141 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000245667311 1433497034 /nfs/dbraw/zinc/49/70/34/1433497034.db2.gz HHCODJUAWKVEHI-FQEVSTJZSA-N 1 0 382.464 3.221 20 5 GGBDRO CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245708004 1433503526 /nfs/dbraw/zinc/50/35/26/1433503526.db2.gz MWHXJCPOAJYSOE-HZPDHXFCSA-N 1 0 394.541 3.066 20 5 GGBDRO CN(C(=O)c1csc([N+](=O)[O-])c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245755998 1433512681 /nfs/dbraw/zinc/51/26/81/1433512681.db2.gz YLZZOMVEMZIXRI-DLBZAZTESA-N 1 0 394.541 3.066 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000245916619 1433541782 /nfs/dbraw/zinc/54/17/82/1433541782.db2.gz WSGGLBGZDNEHNB-SCWSEQNSSA-N 1 0 386.448 3.092 20 5 GGBDRO COc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000246034509 1433559796 /nfs/dbraw/zinc/55/97/96/1433559796.db2.gz WJYXXLFYJXWSSG-WFASDCNBSA-N 1 0 386.395 3.248 20 5 GGBDRO COc1cc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000246034502 1433559870 /nfs/dbraw/zinc/55/98/70/1433559870.db2.gz WJYXXLFYJXWSSG-SWLSCSKDSA-N 1 0 386.395 3.248 20 5 GGBDRO CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246178358 1433578263 /nfs/dbraw/zinc/57/82/63/1433578263.db2.gz QVYHMPKWBWWFPR-YLJYHZDGSA-N 1 0 397.479 3.086 20 5 GGBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000246295201 1433591159 /nfs/dbraw/zinc/59/11/59/1433591159.db2.gz BIRLVSFXLZDNNV-OAGGEKHMSA-N 1 0 395.525 3.081 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000246317694 1433594175 /nfs/dbraw/zinc/59/41/75/1433594175.db2.gz GSMDAQJCZLVOCW-IAGOWNOFSA-N 1 0 375.469 3.087 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000246336160 1433596613 /nfs/dbraw/zinc/59/66/13/1433596613.db2.gz IKDHZCDOJZWGES-LSDHHAIUSA-N 1 0 399.488 3.009 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246367546 1433602112 /nfs/dbraw/zinc/60/21/12/1433602112.db2.gz LLJNJOLSCIWFGD-MSOLQXFVSA-N 1 0 388.512 3.428 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000246370641 1433602198 /nfs/dbraw/zinc/60/21/98/1433602198.db2.gz LQTBZRBLZJTMGE-LSDHHAIUSA-N 1 0 399.488 3.009 20 5 GGBDRO CCOC(=O)CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000246554942 1433630424 /nfs/dbraw/zinc/63/04/24/1433630424.db2.gz DQTNBWZNEVQMBM-HZPDHXFCSA-N 1 0 391.468 3.286 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000246785117 1433665917 /nfs/dbraw/zinc/66/59/17/1433665917.db2.gz OTJZYCGCIAYOSV-WBVHZDCISA-N 1 0 383.448 3.495 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2)cc1 ZINC000246796799 1433668563 /nfs/dbraw/zinc/66/85/63/1433668563.db2.gz MPLSCPMXUKBRAY-MAUKXSAKSA-N 1 0 383.452 3.094 20 5 GGBDRO COc1cc(C[N@H+](C)C[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000246815252 1433672794 /nfs/dbraw/zinc/67/27/94/1433672794.db2.gz REXRAIRGCUFBEF-SMDDNHRTSA-N 1 0 392.374 3.137 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246816833 1433673215 /nfs/dbraw/zinc/67/32/15/1433673215.db2.gz OMMSDZCEEXIQPU-BBRMVZONSA-N 1 0 383.876 3.115 20 5 GGBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000246890069 1433683186 /nfs/dbraw/zinc/68/31/86/1433683186.db2.gz IWBARZBKPNJDBM-YQQAZPJKSA-N 1 0 397.479 3.362 20 5 GGBDRO Cc1cc(S(=O)(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)ccc1[N+](=O)[O-] ZINC000247231335 1433694229 /nfs/dbraw/zinc/69/42/29/1433694229.db2.gz NWLHPOPQXVTPSW-IAGOWNOFSA-N 1 0 395.525 3.178 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000247284343 1433700711 /nfs/dbraw/zinc/70/07/11/1433700711.db2.gz SQYDISFUVSHYNY-RDJZCZTQSA-N 1 0 378.473 3.162 20 5 GGBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000247399862 1433716740 /nfs/dbraw/zinc/71/67/40/1433716740.db2.gz MAQWKHNGHMGMDV-YPGOJHLTSA-N 1 0 381.476 3.410 20 5 GGBDRO CC1CCN(c2ccc(C(=O)N(C)[C@@H]3CC[N@H+](C)C[C@H]3C)cc2[N+](=O)[O-])CC1 ZINC000247521867 1433733014 /nfs/dbraw/zinc/73/30/14/1433733014.db2.gz WMGHLOLXYUEGFR-SJLPKXTDSA-N 1 0 388.512 3.243 20 5 GGBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@H]21 ZINC000247993922 1433762235 /nfs/dbraw/zinc/76/22/35/1433762235.db2.gz JSWNKIMHCFMCDW-SMDDNHRTSA-N 1 0 384.383 3.144 20 5 GGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000248118363 1433770316 /nfs/dbraw/zinc/77/03/16/1433770316.db2.gz MZOYYRUPSMXERR-HFSMHLIXSA-N 1 0 383.492 3.437 20 5 GGBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000248143331 1433774491 /nfs/dbraw/zinc/77/44/91/1433774491.db2.gz QXBPQFHPPFCWBA-UHFFFAOYSA-N 1 0 386.452 3.113 20 5 GGBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000248410489 1433800411 /nfs/dbraw/zinc/80/04/11/1433800411.db2.gz XYABREJQUHDRRF-QWHZDKJVSA-N 1 0 383.452 3.268 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000248428970 1433801771 /nfs/dbraw/zinc/80/17/71/1433801771.db2.gz PVTSYCZBCRSKQG-DLBZAZTESA-N 1 0 395.525 3.011 20 5 GGBDRO Cc1ccc([C@@H]2CSCC[N@@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000248450654 1433803604 /nfs/dbraw/zinc/80/36/04/1433803604.db2.gz IRSPJLDXGNEJQX-MJGOQNOKSA-N 1 0 388.489 3.433 20 5 GGBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000248462817 1433804896 /nfs/dbraw/zinc/80/48/96/1433804896.db2.gz YOOBRHIHFAUVMQ-OXJNMPFZSA-N 1 0 399.491 3.411 20 5 GGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000248817956 1433823693 /nfs/dbraw/zinc/82/36/93/1433823693.db2.gz LDKOEFYSHKQZST-JENIJYKNSA-N 1 0 391.512 3.169 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000248877500 1433827199 /nfs/dbraw/zinc/82/71/99/1433827199.db2.gz RHJIMXSZVDERKV-SJLPKXTDSA-N 1 0 383.448 3.000 20 5 GGBDRO C[C@H](NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000248929922 1433829642 /nfs/dbraw/zinc/82/96/42/1433829642.db2.gz XQLUJQJNGIZZPB-GQIGUUNPSA-N 1 0 382.464 3.476 20 5 GGBDRO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCC[C@H]2c2ccccc2)C1=O ZINC000249122428 1433836222 /nfs/dbraw/zinc/83/62/22/1433836222.db2.gz XOCDLXAWUBDFNJ-GHTZIAJQSA-N 1 0 394.431 3.156 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(SC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000249146464 1433837582 /nfs/dbraw/zinc/83/75/82/1433837582.db2.gz UOKAFSITGWHOHA-GOEBONIOSA-N 1 0 395.525 3.184 20 5 GGBDRO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000249731473 1433850272 /nfs/dbraw/zinc/85/02/72/1433850272.db2.gz APJGPUBWIOMWMA-WBAXXEDZSA-N 1 0 389.452 3.038 20 5 GGBDRO COc1cc(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000249767221 1433851623 /nfs/dbraw/zinc/85/16/23/1433851623.db2.gz ISQKNUZJSGPMQU-OUCADQQQSA-N 1 0 390.358 3.202 20 5 GGBDRO C[C@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000252197656 1433862823 /nfs/dbraw/zinc/86/28/23/1433862823.db2.gz SQPDOVVKKYOJGP-DLBZAZTESA-N 1 0 388.512 3.048 20 5 GGBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000252656555 1433864026 /nfs/dbraw/zinc/86/40/26/1433864026.db2.gz HUKIQODKVYRJKI-ZACQAIPSSA-N 1 0 388.512 3.149 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000255036232 1433874777 /nfs/dbraw/zinc/87/47/77/1433874777.db2.gz HTMJYGLXPIAMCT-SJLPKXTDSA-N 1 0 392.477 3.077 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000255196115 1433878323 /nfs/dbraw/zinc/87/83/23/1433878323.db2.gz LVHFVFGOIXTRID-DOTOQJQBSA-N 1 0 397.431 3.355 20 5 GGBDRO C[N@@H+]1CCCN(c2ccc(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000255641180 1433887247 /nfs/dbraw/zinc/88/72/47/1433887247.db2.gz XQGMHTMEAVWNSJ-XGICHPGQSA-N 1 0 380.448 3.389 20 5 GGBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000255838048 1433889934 /nfs/dbraw/zinc/88/99/34/1433889934.db2.gz KPUZPJWMCXIJLA-FLIBITNWSA-N 1 0 379.460 3.431 20 5 GGBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCC(C)(C)C[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000255944703 1433892293 /nfs/dbraw/zinc/89/22/93/1433892293.db2.gz RTQWHKHFVNWHQH-HOTGVXAUSA-N 1 0 390.528 3.395 20 5 GGBDRO Cc1cc(C(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000255958657 1433892804 /nfs/dbraw/zinc/89/28/04/1433892804.db2.gz MAGLVXBIOBSGDZ-NRFANRHFSA-N 1 0 396.491 3.012 20 5 GGBDRO C[NH2+][C@H](C)Cc1noc(-c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 ZINC000261607709 1433897193 /nfs/dbraw/zinc/89/71/93/1433897193.db2.gz AIEUUQBJUFGTEU-OLZOCXBDSA-N 1 0 382.424 3.363 20 5 GGBDRO C[NH2+][C@@H](C)Cc1noc(-c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 ZINC000261607711 1433897258 /nfs/dbraw/zinc/89/72/58/1433897258.db2.gz AIEUUQBJUFGTEU-QWHCGFSZSA-N 1 0 382.424 3.363 20 5 GGBDRO C[NH2+][C@H](C)Cc1noc(-c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 ZINC000261607706 1433897308 /nfs/dbraw/zinc/89/73/08/1433897308.db2.gz AIEUUQBJUFGTEU-CHWSQXEVSA-N 1 0 382.424 3.363 20 5 GGBDRO C[NH2+][C@@H](C)CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000261631931 1433897727 /nfs/dbraw/zinc/89/77/27/1433897727.db2.gz CKCNQWFGDBSGMW-NSHDSACASA-N 1 0 393.827 3.387 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000261636059 1433897930 /nfs/dbraw/zinc/89/79/30/1433897930.db2.gz FIHJCHCAHQZXEE-IBGZPJMESA-N 1 0 386.427 3.017 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N3C[C@H](C[NH3+])C[C@H]3C)cc2[N+](=O)[O-])n1 ZINC000261868223 1433908325 /nfs/dbraw/zinc/90/83/25/1433908325.db2.gz RZQVPZRUXKKPIC-NEPJUHHUSA-N 1 0 392.506 3.320 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N3C[C@@H](C[NH3+])C[C@H]3C)cc2[N+](=O)[O-])n1 ZINC000261868226 1433908408 /nfs/dbraw/zinc/90/84/08/1433908408.db2.gz RZQVPZRUXKKPIC-VXGBXAGGSA-N 1 0 392.506 3.320 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N3C[C@H](C[NH3+])C[C@@H]3C)cc2[N+](=O)[O-])n1 ZINC000261868225 1433908533 /nfs/dbraw/zinc/90/85/33/1433908533.db2.gz RZQVPZRUXKKPIC-RYUDHWBXSA-N 1 0 392.506 3.320 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CC[NH2+]C[C@H]3c3cccc(Cl)c3)n2)cc1 ZINC000261883488 1433909469 /nfs/dbraw/zinc/90/94/69/1433909469.db2.gz UTUGVEUIRUZFOH-KRWDZBQOSA-N 1 0 399.838 3.445 20 5 GGBDRO COCC1(CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000261927922 1433913696 /nfs/dbraw/zinc/91/36/96/1433913696.db2.gz CJWNIDVFIWCZGB-UHFFFAOYSA-N 1 0 398.463 3.084 20 5 GGBDRO C[NH2+][C@@H]1CCCN(Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000262034371 1433923598 /nfs/dbraw/zinc/92/35/98/1433923598.db2.gz OJLNJJCWVPCFSI-GOSISDBHSA-N 1 0 385.464 3.366 20 5 GGBDRO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000262062267 1433925321 /nfs/dbraw/zinc/92/53/21/1433925321.db2.gz OBAZMBJITDAWMG-UHFFFAOYSA-N 1 0 387.465 3.345 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N3CC[C@@](C)(C[NH3+])C3)cc2[N+](=O)[O-])n1 ZINC000262078684 1433926063 /nfs/dbraw/zinc/92/60/63/1433926063.db2.gz SYACTOUXHLOPJR-KRWDZBQOSA-N 1 0 392.506 3.322 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CC[NH2+]C[C@H]3c3ccccc3Cl)n2)cc1 ZINC000262114304 1433927590 /nfs/dbraw/zinc/92/75/90/1433927590.db2.gz BIHSQFOKRBVGQA-KRWDZBQOSA-N 1 0 399.838 3.445 20 5 GGBDRO Cc1c(NC(=O)CCN2CC[NH2+]C[C@H]2c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000262157940 1433928921 /nfs/dbraw/zinc/92/89/21/1433928921.db2.gz GOYIRRUFEBNTPS-IBGZPJMESA-N 1 0 386.427 3.017 20 5 GGBDRO [NH3+]CCCN(Cc1ccccc1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000262420069 1433938480 /nfs/dbraw/zinc/93/84/80/1433938480.db2.gz AWFPZCKVMLTZPG-UHFFFAOYSA-N 1 0 382.464 3.186 20 5 GGBDRO CCCN(C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000262564050 1433943826 /nfs/dbraw/zinc/94/38/26/1433943826.db2.gz BEJGIPXLSDHKJY-GOSISDBHSA-N 1 0 382.464 3.421 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)NC2(C[NH3+])CCCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000262586084 1433944831 /nfs/dbraw/zinc/94/48/31/1433944831.db2.gz VPNNPXCWKONXLF-AWEZNQCLSA-N 1 0 383.452 3.164 20 5 GGBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000262598002 1433945614 /nfs/dbraw/zinc/94/56/14/1433945614.db2.gz VWZHYYZZLYHMSO-KYHPRHEASA-N 1 0 388.512 3.277 20 5 GGBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000262637585 1433947324 /nfs/dbraw/zinc/94/73/24/1433947324.db2.gz QFGXRXCJMQIBFO-VLIAUNLRSA-N 1 0 385.468 3.266 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)N[C@@](C)(C[NH3+])C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000262653846 1433948025 /nfs/dbraw/zinc/94/80/25/1433948025.db2.gz ZDBVMZRBOGRSSZ-XCLFUZPHSA-N 1 0 383.452 3.020 20 5 GGBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)cc2[N+](=O)[O-])C1 ZINC000262654848 1433948050 /nfs/dbraw/zinc/94/80/50/1433948050.db2.gz WUAAFVNJOGHRBS-ATLSCFEFSA-N 1 0 386.496 3.044 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N[C@@](C)(C[NH3+])C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000262653844 1433948151 /nfs/dbraw/zinc/94/81/51/1433948151.db2.gz ZDBVMZRBOGRSSZ-RBZFPXEDSA-N 1 0 383.452 3.020 20 5 GGBDRO Nc1c(C(=O)N(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000262866645 1433962622 /nfs/dbraw/zinc/96/26/22/1433962622.db2.gz CEOMCYONIPNGIS-INIZCTEOSA-N 1 0 386.477 3.023 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000262899972 1433965280 /nfs/dbraw/zinc/96/52/80/1433965280.db2.gz IAAPBKHCOMSGSQ-SFHVURJKSA-N 1 0 385.489 3.370 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)cc2[N+](=O)[O-])n1 ZINC000262912662 1433966415 /nfs/dbraw/zinc/96/64/15/1433966415.db2.gz QVHCBLMBWJARHM-GXFFZTMASA-N 1 0 392.506 3.381 20 5 GGBDRO COc1cc(C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)ccc1O ZINC000263662337 1434017141 /nfs/dbraw/zinc/01/71/41/1434017141.db2.gz KDEQCHLRDMSZAF-UHFFFAOYSA-N 1 0 385.420 3.302 20 5 GGBDRO CN(C)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000263771366 1434031704 /nfs/dbraw/zinc/03/17/04/1434031704.db2.gz CWLJKCVGLIEQNG-GOSISDBHSA-N 1 0 385.493 3.449 20 5 GGBDRO C[C@H]1C[NH+](CC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)C[C@H](C)O1 ZINC000263774641 1434032108 /nfs/dbraw/zinc/03/21/08/1434032108.db2.gz MRHLLCQPMKCKDZ-KBPBESRZSA-N 1 0 395.887 3.210 20 5 GGBDRO Cn1cc(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000263808143 1434036299 /nfs/dbraw/zinc/03/62/99/1434036299.db2.gz LUGNLTFVVLWZHH-INIZCTEOSA-N 1 0 398.438 3.075 20 5 GGBDRO Cn1cc(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000263808147 1434036347 /nfs/dbraw/zinc/03/63/47/1434036347.db2.gz LUGNLTFVVLWZHH-MRXNPFEDSA-N 1 0 398.438 3.075 20 5 GGBDRO C[C@@H]1C[NH+](CC2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000263848817 1434041385 /nfs/dbraw/zinc/04/13/85/1434041385.db2.gz YBMVMJBDSJIVIM-ZIAGYGMSSA-N 1 0 395.887 3.210 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCCCCC2)cc1SC ZINC000264046131 1434065836 /nfs/dbraw/zinc/06/58/36/1434065836.db2.gz RKYSBXRVOSQWDX-UHFFFAOYSA-N 1 0 381.498 3.321 20 5 GGBDRO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000264094491 1434071311 /nfs/dbraw/zinc/07/13/11/1434071311.db2.gz OFKALOYWGZHLIO-UHFFFAOYSA-N 1 0 383.452 3.161 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000264139445 1434075099 /nfs/dbraw/zinc/07/50/99/1434075099.db2.gz JSBMRKKFEQAFLP-WBVHZDCISA-N 1 0 397.479 3.329 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1SC ZINC000264168700 1434077971 /nfs/dbraw/zinc/07/79/71/1434077971.db2.gz PAXRSZLGGQXTHS-CHWSQXEVSA-N 1 0 381.498 3.176 20 5 GGBDRO CC(C)C(=O)NC1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000264207016 1434082368 /nfs/dbraw/zinc/08/23/68/1434082368.db2.gz RITUECNSIVYIRO-UHFFFAOYSA-N 1 0 386.452 3.029 20 5 GGBDRO Cc1cc(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000264228042 1434084603 /nfs/dbraw/zinc/08/46/03/1434084603.db2.gz LRRXGDCTYIKUQE-UHFFFAOYSA-N 1 0 394.475 3.148 20 5 GGBDRO CS(=O)(=O)c1ccc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)c([N+](=O)[O-])c1 ZINC000264325820 1434097691 /nfs/dbraw/zinc/09/76/91/1434097691.db2.gz RLWLNEIRAUMWGY-MRXNPFEDSA-N 1 0 395.525 3.091 20 5 GGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C2CCN(CC(F)(F)F)CC2)c1 ZINC000264543780 1434126184 /nfs/dbraw/zinc/12/61/84/1434126184.db2.gz SNDMUPGCUWWNAS-UHFFFAOYSA-N 1 0 383.317 3.313 20 5 GGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264546337 1434126490 /nfs/dbraw/zinc/12/64/90/1434126490.db2.gz BXFGWFZRQPIDLT-ZFWWWQNUSA-N 1 0 380.876 3.135 20 5 GGBDRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000264673861 1434142425 /nfs/dbraw/zinc/14/24/25/1434142425.db2.gz BQBUFCIWXLYLTP-UHFFFAOYSA-N 1 0 381.860 3.013 20 5 GGBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000265005602 1434173767 /nfs/dbraw/zinc/17/37/67/1434173767.db2.gz UBVHCKLDORNJDP-ZDUSSCGKSA-N 1 0 381.498 3.320 20 5 GGBDRO CC(C)[NH+]1CCC(N(C)C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000265267290 1434210077 /nfs/dbraw/zinc/21/00/77/1434210077.db2.gz LHAASQCBEROKGO-UHFFFAOYSA-N 1 0 383.876 3.348 20 5 GGBDRO C[NH+](C)CCN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000265309776 1434216019 /nfs/dbraw/zinc/21/60/19/1434216019.db2.gz RMPBMBORIJLYIZ-UHFFFAOYSA-N 1 0 386.452 3.185 20 5 GGBDRO O=[N+]([O-])c1ccc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)c([N+](=O)[O-])c1 ZINC000265385266 1434227369 /nfs/dbraw/zinc/22/73/69/1434227369.db2.gz DSFGRKAOXMAGPS-JTQLQIEISA-N 1 0 390.425 3.048 20 5 GGBDRO O=[N+]([O-])c1ccc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)c([N+](=O)[O-])c1 ZINC000265385268 1434227441 /nfs/dbraw/zinc/22/74/41/1434227441.db2.gz DSFGRKAOXMAGPS-SNVBAGLBSA-N 1 0 390.425 3.048 20 5 GGBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(CC[NH+](C)C)CC1 ZINC000265434596 1434234060 /nfs/dbraw/zinc/23/40/60/1434234060.db2.gz NWXYADRZNYGYIE-ZDUSSCGKSA-N 1 0 382.892 3.239 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000265777299 1434264498 /nfs/dbraw/zinc/26/44/98/1434264498.db2.gz OCLKHZMEICBMBX-APWZRJJASA-N 1 0 391.512 3.126 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000265777310 1434264511 /nfs/dbraw/zinc/26/45/11/1434264511.db2.gz OCLKHZMEICBMBX-VQIMIIECSA-N 1 0 391.512 3.126 20 5 GGBDRO COc1cc(C[NH2+]C[C@H](C)C[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000265840445 1434271021 /nfs/dbraw/zinc/27/10/21/1434271021.db2.gz GGTVDYUXQPWWSH-GHMZBOCLSA-N 1 0 380.363 3.041 20 5 GGBDRO COc1cc(C[NH2+]C[C@@H](C)C[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000265840449 1434271150 /nfs/dbraw/zinc/27/11/50/1434271150.db2.gz GGTVDYUXQPWWSH-QWRGUYRKSA-N 1 0 380.363 3.041 20 5 GGBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000265956368 1434288464 /nfs/dbraw/zinc/28/84/64/1434288464.db2.gz ONDWQUYDPUBXMS-UHFFFAOYSA-N 1 0 393.484 3.196 20 5 GGBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)c1cccs1 ZINC000266085043 1434302317 /nfs/dbraw/zinc/30/23/17/1434302317.db2.gz CEFQYQUXLYKJJF-OAHLLOKOSA-N 1 0 376.438 3.328 20 5 GGBDRO COc1cc(C[NH2+]CCCC(C)(C)CO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000266141040 1434306426 /nfs/dbraw/zinc/30/64/26/1434306426.db2.gz HEAWXRRZNUZLGC-UHFFFAOYSA-N 1 0 394.390 3.433 20 5 GGBDRO CC(=O)c1ccc(NCc2ccccc2C[NH+]2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000266213811 1434310942 /nfs/dbraw/zinc/31/09/42/1434310942.db2.gz GSNGUNRHIROBSD-UHFFFAOYSA-N 1 0 383.448 3.366 20 5 GGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000266284180 1434316300 /nfs/dbraw/zinc/31/63/00/1434316300.db2.gz BLGGHFKFUZXEPM-CQSZACIVSA-N 1 0 383.876 3.207 20 5 GGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000266284179 1434316326 /nfs/dbraw/zinc/31/63/26/1434316326.db2.gz BLGGHFKFUZXEPM-AWEZNQCLSA-N 1 0 383.876 3.207 20 5 GGBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000266392253 1434329522 /nfs/dbraw/zinc/32/95/22/1434329522.db2.gz OHBXGQGWIIDWDN-UHFFFAOYSA-N 1 0 397.435 3.023 20 5 GGBDRO COc1cc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc([N+](=O)[O-])c1OC ZINC000267017002 1434399149 /nfs/dbraw/zinc/39/91/49/1434399149.db2.gz PYSQBDFGHNWXMD-UHFFFAOYSA-N 1 0 391.468 3.139 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000267298737 1434420501 /nfs/dbraw/zinc/42/05/01/1434420501.db2.gz UCRSLNACCKOYGY-HRAATJIYSA-N 1 0 397.475 3.462 20 5 GGBDRO CCOc1cc(NC(=O)N2CC[C@@H](C[N@H+](C)CC)C2)c([N+](=O)[O-])cc1OCC ZINC000267357438 1434425382 /nfs/dbraw/zinc/42/53/82/1434425382.db2.gz WBEXDXVOEHLXHG-AWEZNQCLSA-N 1 0 394.472 3.198 20 5 GGBDRO CCOc1cc(NC(=O)N2CC[C@H](C[N@H+](C)CC)C2)c([N+](=O)[O-])cc1OCC ZINC000267357440 1434425430 /nfs/dbraw/zinc/42/54/30/1434425430.db2.gz WBEXDXVOEHLXHG-CQSZACIVSA-N 1 0 394.472 3.198 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000267395289 1434429030 /nfs/dbraw/zinc/42/90/30/1434429030.db2.gz IQTQXHFJYUQRBD-WMZOPIPTSA-N 1 0 383.448 3.000 20 5 GGBDRO C[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000267408381 1434429910 /nfs/dbraw/zinc/42/99/10/1434429910.db2.gz HNANDLMOLUOOFD-ZIAGYGMSSA-N 1 0 377.466 3.257 20 5 GGBDRO C[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000267408368 1434429928 /nfs/dbraw/zinc/42/99/28/1434429928.db2.gz HNANDLMOLUOOFD-KBPBESRZSA-N 1 0 377.466 3.257 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000267442417 1434433661 /nfs/dbraw/zinc/43/36/61/1434433661.db2.gz CIUYJZURIFGLMS-XJKSGUPXSA-N 1 0 383.876 3.115 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000267442411 1434433718 /nfs/dbraw/zinc/43/37/18/1434433718.db2.gz CIUYJZURIFGLMS-BBRMVZONSA-N 1 0 383.876 3.115 20 5 GGBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000267458149 1434435785 /nfs/dbraw/zinc/43/57/85/1434435785.db2.gz QORVUXPQKAOUHE-KRWDZBQOSA-N 1 0 382.464 3.161 20 5 GGBDRO CC[C@H](CCO)C[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000268005148 1434486205 /nfs/dbraw/zinc/48/62/05/1434486205.db2.gz CGWQWMOBHKPGDD-LLVKDONJSA-N 1 0 380.363 3.043 20 5 GGBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000268197610 1434501213 /nfs/dbraw/zinc/50/12/13/1434501213.db2.gz YLRQYDICBSMMDO-ZDUSSCGKSA-N 1 0 388.424 3.181 20 5 GGBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000268285836 1434508534 /nfs/dbraw/zinc/50/85/34/1434508534.db2.gz YXLLPXPRPMNGBT-SFHVURJKSA-N 1 0 391.515 3.249 20 5 GGBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000268417574 1434520883 /nfs/dbraw/zinc/52/08/83/1434520883.db2.gz ACRAZNWGMVFQFE-UHFFFAOYSA-N 1 0 377.488 3.353 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000268698452 1434548439 /nfs/dbraw/zinc/54/84/39/1434548439.db2.gz GNJXUVJPVGANTJ-UHFFFAOYSA-N 1 0 383.452 3.081 20 5 GGBDRO Cc1cc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)cc([N+](=O)[O-])c1 ZINC000268785438 1434557194 /nfs/dbraw/zinc/55/71/94/1434557194.db2.gz VSTBTQVMNDLIEU-UHFFFAOYSA-N 1 0 383.452 3.081 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)C1CC1 ZINC000268803036 1434558886 /nfs/dbraw/zinc/55/88/86/1434558886.db2.gz LBHXGYWQOJJVHP-LJQANCHMSA-N 1 0 388.489 3.121 20 5 GGBDRO CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000268807474 1434559930 /nfs/dbraw/zinc/55/99/30/1434559930.db2.gz GEMOUCMEHODRQE-INIZCTEOSA-N 1 0 382.464 3.114 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000268812622 1434560163 /nfs/dbraw/zinc/56/01/63/1434560163.db2.gz OQRUVUGJXDOTEF-INIZCTEOSA-N 1 0 383.448 3.226 20 5 GGBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CCN(C)CC3)cc2)cccc1[N+](=O)[O-] ZINC000268834251 1434562430 /nfs/dbraw/zinc/56/24/30/1434562430.db2.gz RVUAYNAFVVLLEG-QGZVFWFLSA-N 1 0 396.491 3.142 20 5 GGBDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268938061 1434573013 /nfs/dbraw/zinc/57/30/13/1434573013.db2.gz ZGOOPBMBQCQLOV-LIRRHRJNSA-N 1 0 380.448 3.392 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N3CC[C@H]([NH3+])[C@H](C)C3)cc2[N+](=O)[O-])n1 ZINC000269173462 1434601361 /nfs/dbraw/zinc/60/13/61/1434601361.db2.gz AWESXDAMLCMBDF-MFKMUULPSA-N 1 0 392.506 3.320 20 5 GGBDRO CC(C)c1n[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000269335895 1434626894 /nfs/dbraw/zinc/62/68/94/1434626894.db2.gz BHQZPZGYJYVZOL-ZBFHGGJFSA-N 1 0 385.468 3.224 20 5 GGBDRO CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000269335889 1434626933 /nfs/dbraw/zinc/62/69/33/1434626933.db2.gz BHQZPZGYJYVZOL-GDBMZVCRSA-N 1 0 385.468 3.224 20 5 GGBDRO CC(C)c1n[nH]c(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000269419606 1434642411 /nfs/dbraw/zinc/64/24/11/1434642411.db2.gz XDDSJQLJEJFBRT-GFCCVEGCSA-N 1 0 377.470 3.070 20 5 GGBDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)nc2)C1 ZINC000269420186 1434642593 /nfs/dbraw/zinc/64/25/93/1434642593.db2.gz KKHFOAVGWVWDKP-AWEZNQCLSA-N 1 0 389.843 3.036 20 5 GGBDRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)nc2)C1 ZINC000269421879 1434642811 /nfs/dbraw/zinc/64/28/11/1434642811.db2.gz LDKFXMVIXDETHI-CQSZACIVSA-N 1 0 389.843 3.036 20 5 GGBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000269461823 1434649384 /nfs/dbraw/zinc/64/93/84/1434649384.db2.gz YEGGXRAOBRRVMK-WMLDXEAASA-N 1 0 386.452 3.005 20 5 GGBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000269461831 1434649652 /nfs/dbraw/zinc/64/96/52/1434649652.db2.gz YEGGXRAOBRRVMK-YOEHRIQHSA-N 1 0 386.452 3.005 20 5 GGBDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])nc2)C1 ZINC000269501093 1434654336 /nfs/dbraw/zinc/65/43/36/1434654336.db2.gz FFMRFSFZZCOSEJ-AWEZNQCLSA-N 1 0 389.843 3.036 20 5 GGBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000269587806 1434661539 /nfs/dbraw/zinc/66/15/39/1434661539.db2.gz BYHMSMNHYHFFIY-MRXNPFEDSA-N 1 0 397.479 3.057 20 5 GGBDRO O=[N+]([O-])c1cc(F)c(NCc2ccccc2C[NH+]2CCC(O)CC2)c(F)c1 ZINC000269676416 1434668442 /nfs/dbraw/zinc/66/84/42/1434668442.db2.gz YOFNENYXHIBCOD-UHFFFAOYSA-N 1 0 377.391 3.442 20 5 GGBDRO COc1cc([C@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000269692283 1434669540 /nfs/dbraw/zinc/66/95/40/1434669540.db2.gz VKLZTFUJIHJDCE-BLLLJJGKSA-N 1 0 376.409 3.005 20 5 GGBDRO O=C(Nc1cccc(F)c1)C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269705653 1434670681 /nfs/dbraw/zinc/67/06/81/1434670681.db2.gz ZSHWZWIJOGICCP-LJQANCHMSA-N 1 0 387.411 3.118 20 5 GGBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000270040298 1434695731 /nfs/dbraw/zinc/69/57/31/1434695731.db2.gz AGIRBMPXZAWIFJ-GDBMZVCRSA-N 1 0 377.510 3.266 20 5 GGBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)CC1 ZINC000270054506 1434697231 /nfs/dbraw/zinc/69/72/31/1434697231.db2.gz CYLVNSSKOWRTEC-ZDUSSCGKSA-N 1 0 385.386 3.418 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1SC ZINC000270213844 1434713607 /nfs/dbraw/zinc/71/36/07/1434713607.db2.gz LQLKPVHESUDNJA-CQSZACIVSA-N 1 0 393.509 3.129 20 5 GGBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270264315 1434717821 /nfs/dbraw/zinc/71/78/21/1434717821.db2.gz PUMJMZAHYOQOHJ-UHFFFAOYSA-N 1 0 397.479 3.019 20 5 GGBDRO CC(C)N1CC[NH+](C2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)CC1 ZINC000270499209 1434739205 /nfs/dbraw/zinc/73/92/05/1434739205.db2.gz UCVYOIBMTOETPO-UHFFFAOYSA-N 1 0 383.496 3.138 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000270766452 1434772556 /nfs/dbraw/zinc/77/25/56/1434772556.db2.gz ZZAOUTSAXNDZLI-UHFFFAOYSA-N 1 0 390.465 3.042 20 5 GGBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000270943129 1434789802 /nfs/dbraw/zinc/78/98/02/1434789802.db2.gz CTZPJROXNOVZFD-QGZVFWFLSA-N 1 0 391.515 3.343 20 5 GGBDRO CC(C)N1CC[NH+](C2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)CC1 ZINC000270946993 1434790099 /nfs/dbraw/zinc/79/00/99/1434790099.db2.gz SEPIQEPPDZSLKT-UHFFFAOYSA-N 1 0 380.920 3.239 20 5 GGBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000271137532 1434804156 /nfs/dbraw/zinc/80/41/56/1434804156.db2.gz NMIAPSNDIOUBFF-ZDUSSCGKSA-N 1 0 393.465 3.216 20 5 GGBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cccc(OCC(=O)OC)c2)cc1[N+](=O)[O-] ZINC000271418444 1434823244 /nfs/dbraw/zinc/82/32/44/1434823244.db2.gz BECNNIRTACOGRL-AWEZNQCLSA-N 1 0 388.420 3.396 20 5 GGBDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000271455594 1434826228 /nfs/dbraw/zinc/82/62/28/1434826228.db2.gz JAUJWYCAQIXPEU-AWEZNQCLSA-N 1 0 378.450 3.118 20 5 GGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000271587872 1434837203 /nfs/dbraw/zinc/83/72/03/1434837203.db2.gz XTQMMEWHNPLPSU-ZRBXUZRCSA-N 1 0 389.477 3.400 20 5 GGBDRO COc1cccc(C2([NH2+]CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000271698432 1434844877 /nfs/dbraw/zinc/84/48/77/1434844877.db2.gz KNHOWNVEKUJNJC-UHFFFAOYSA-N 1 0 375.812 3.474 20 5 GGBDRO COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000271704007 1434845192 /nfs/dbraw/zinc/84/51/92/1434845192.db2.gz IGKCYPPAXMKLFL-BEFAXECRSA-N 1 0 396.447 3.179 20 5 GGBDRO COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000271704008 1434845214 /nfs/dbraw/zinc/84/52/14/1434845214.db2.gz IGKCYPPAXMKLFL-DNVCBOLYSA-N 1 0 396.447 3.179 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000271777521 1434849829 /nfs/dbraw/zinc/84/98/29/1434849829.db2.gz HBLULJLXKMIRQP-AWEZNQCLSA-N 1 0 398.419 3.149 20 5 GGBDRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000271783311 1434850279 /nfs/dbraw/zinc/85/02/79/1434850279.db2.gz SPNVMIGTTSNGFK-UHFFFAOYSA-N 1 0 394.431 3.285 20 5 GGBDRO C[C@H]([NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000271784441 1434850404 /nfs/dbraw/zinc/85/04/04/1434850404.db2.gz HLWAXIUZZWAXKJ-MGYFDLHMSA-N 1 0 375.450 3.010 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000271787300 1434850703 /nfs/dbraw/zinc/85/07/03/1434850703.db2.gz IEHYPYHGZILCSV-LOKFHWFJSA-N 1 0 389.477 3.320 20 5 GGBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000271799049 1434851358 /nfs/dbraw/zinc/85/13/58/1434851358.db2.gz KVNVGEUWXRSHDC-NRRJATNASA-N 1 0 375.450 3.012 20 5 GGBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C)c2ccc3c(c2)CC(=O)N3C)cccc1[N+](=O)[O-] ZINC000271799457 1434851375 /nfs/dbraw/zinc/85/13/75/1434851375.db2.gz JRBDDBCFGMZFEU-AWEZNQCLSA-N 1 0 396.447 3.102 20 5 GGBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC000271799055 1434851380 /nfs/dbraw/zinc/85/13/80/1434851380.db2.gz KVNVGEUWXRSHDC-WHDAMIPWSA-N 1 0 375.450 3.012 20 5 GGBDRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000271800644 1434851507 /nfs/dbraw/zinc/85/15/07/1434851507.db2.gz WNYUYSQAALRIFO-UHFFFAOYSA-N 1 0 394.431 3.285 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc([S@](C)=O)cc1 ZINC000271821363 1434852621 /nfs/dbraw/zinc/85/26/21/1434852621.db2.gz PEAWVZYPBMLFPA-ZCDIYMNCSA-N 1 0 375.450 3.010 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000271829233 1434853247 /nfs/dbraw/zinc/85/32/47/1434853247.db2.gz QLXKIOQKLIPLJP-ZCDIYMNCSA-N 1 0 375.450 3.010 20 5 GGBDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000271834072 1434853662 /nfs/dbraw/zinc/85/36/62/1434853662.db2.gz SKKAEGVEAPWDBO-KBPBESRZSA-N 1 0 398.419 3.229 20 5 GGBDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000271834075 1434853670 /nfs/dbraw/zinc/85/36/70/1434853670.db2.gz SKKAEGVEAPWDBO-ZIAGYGMSSA-N 1 0 398.419 3.229 20 5 GGBDRO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000271848189 1434854495 /nfs/dbraw/zinc/85/44/95/1434854495.db2.gz VZWUKLAJBWEPSF-KBPBESRZSA-N 1 0 398.419 3.229 20 5 GGBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272145294 1434874611 /nfs/dbraw/zinc/87/46/11/1434874611.db2.gz FEEYLHGVCKILRT-CYBMUJFWSA-N 1 0 383.876 3.206 20 5 GGBDRO COc1cc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272262568 1434882414 /nfs/dbraw/zinc/88/24/14/1434882414.db2.gz KHVZSLNDCMIKJW-LBPRGKRZSA-N 1 0 396.394 3.350 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000272330976 1434887763 /nfs/dbraw/zinc/88/77/63/1434887763.db2.gz VNLNOJXHRFKTOA-KGLIPLIRSA-N 1 0 385.420 3.205 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000272330974 1434887787 /nfs/dbraw/zinc/88/77/87/1434887787.db2.gz VNLNOJXHRFKTOA-KBPBESRZSA-N 1 0 385.420 3.205 20 5 GGBDRO C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272386266 1434892775 /nfs/dbraw/zinc/89/27/75/1434892775.db2.gz WCLAUXRZUQNJQE-AEFFLSMTSA-N 1 0 383.448 3.000 20 5 GGBDRO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC([NH+]2CCCCC2)CC1 ZINC000272411519 1434894582 /nfs/dbraw/zinc/89/45/82/1434894582.db2.gz LGRFONSISLLWNX-UHFFFAOYSA-N 1 0 383.395 3.287 20 5 GGBDRO CCC[C@@H](CCO)C[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272482961 1434899353 /nfs/dbraw/zinc/89/93/53/1434899353.db2.gz SXXKMVPEMZSQFD-LBPRGKRZSA-N 1 0 376.400 3.136 20 5 GGBDRO Cn1ccnc1[C@@H](NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000272509205 1434902165 /nfs/dbraw/zinc/90/21/65/1434902165.db2.gz IRZKZFGTGBGECK-UXHICEINSA-N 1 0 397.454 3.449 20 5 GGBDRO CC[NH+]1CCC(n2nccc2NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272514210 1434902765 /nfs/dbraw/zinc/90/27/65/1434902765.db2.gz KOXJQJRJPNYTTB-UHFFFAOYSA-N 1 0 393.394 3.179 20 5 GGBDRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000272522802 1434904017 /nfs/dbraw/zinc/90/40/17/1434904017.db2.gz ZQKKNWNRVUATTG-UHFFFAOYSA-N 1 0 398.419 3.082 20 5 GGBDRO C[NH+](C)CCC1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000272573795 1434909442 /nfs/dbraw/zinc/90/94/42/1434909442.db2.gz UDNOSRAALWRAOK-UHFFFAOYSA-N 1 0 382.892 3.164 20 5 GGBDRO CCC[NH+]1CCC(N(C)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000272593095 1434912202 /nfs/dbraw/zinc/91/22/02/1434912202.db2.gz WUNMEONLLPARMS-UHFFFAOYSA-N 1 0 382.892 3.307 20 5 GGBDRO COc1cc(C[N@@H+]2CCC[C@@]2(C)CCCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272598119 1434912859 /nfs/dbraw/zinc/91/28/59/1434912859.db2.gz OGTIXKYQGGTRTL-SFHVURJKSA-N 1 0 388.411 3.374 20 5 GGBDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000272637081 1434918300 /nfs/dbraw/zinc/91/83/00/1434918300.db2.gz LDSBQWFKRJCUMV-SFHVURJKSA-N 1 0 387.411 3.309 20 5 GGBDRO C[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272651361 1434919794 /nfs/dbraw/zinc/91/97/94/1434919794.db2.gz FDABZNBNQZCDRP-DOTOQJQBSA-N 1 0 384.480 3.319 20 5 GGBDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3c(N)cccc3[N+](=O)[O-])cc2)C1 ZINC000272696595 1434923871 /nfs/dbraw/zinc/92/38/71/1434923871.db2.gz VHSKGEQXTOCLNG-AWEZNQCLSA-N 1 0 384.436 3.150 20 5 GGBDRO C[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272732683 1434926708 /nfs/dbraw/zinc/92/67/08/1434926708.db2.gz BXOGCAHBQWVBLU-UONOGXRCSA-N 1 0 381.498 3.063 20 5 GGBDRO C[C@@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272752973 1434928136 /nfs/dbraw/zinc/92/81/36/1434928136.db2.gz OKUDXRLTWISFEO-ZIAGYGMSSA-N 1 0 381.423 3.456 20 5 GGBDRO Cc1cc(NCc2ccc(N3CCOCC3)nc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272833683 1434934625 /nfs/dbraw/zinc/93/46/25/1434934625.db2.gz LOCJJDBFMGHQNG-UHFFFAOYSA-N 1 0 379.420 3.295 20 5 GGBDRO COc1ccc(CNC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000272871384 1434937673 /nfs/dbraw/zinc/93/76/73/1434937673.db2.gz WRAHLDFEAPHJRY-HOCLYGCPSA-N 1 0 390.484 3.056 20 5 GGBDRO COc1ccc(OCC[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c([N+](=O)[O-])c1 ZINC000272872604 1434937808 /nfs/dbraw/zinc/93/78/08/1434937808.db2.gz AWZUTMYICRXKDT-NRRJATNASA-N 1 0 378.450 3.070 20 5 GGBDRO COc1ccc(OCC[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c([N+](=O)[O-])c1 ZINC000272872621 1434937880 /nfs/dbraw/zinc/93/78/80/1434937880.db2.gz AWZUTMYICRXKDT-ZBSNKRKSSA-N 1 0 378.450 3.070 20 5 GGBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000272942505 1434942865 /nfs/dbraw/zinc/94/28/65/1434942865.db2.gz LFOTVMXFUWNOQN-VXKZXEGRSA-N 1 0 389.477 3.318 20 5 GGBDRO COc1cc(C)c([C@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1OC ZINC000273123423 1434964182 /nfs/dbraw/zinc/96/41/82/1434964182.db2.gz HSLJOXFFXMQTSH-GJZGRUSLSA-N 1 0 390.436 3.011 20 5 GGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)cc1[N+](=O)[O-] ZINC000273324014 1434981044 /nfs/dbraw/zinc/98/10/44/1434981044.db2.gz ZVEMUQPXIATMFT-QAPCUYQASA-N 1 0 398.463 3.230 20 5 GGBDRO C[C@@H]1C[NH+](CC2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)CC2)C[C@@H](C)O1 ZINC000273371334 1434984029 /nfs/dbraw/zinc/98/40/29/1434984029.db2.gz GUYLYRXFMYCKIZ-ZIAGYGMSSA-N 1 0 394.447 3.087 20 5 GGBDRO C[C@H]1C[NH+](CC2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)CC2)C[C@H](C)O1 ZINC000273371324 1434984058 /nfs/dbraw/zinc/98/40/58/1434984058.db2.gz GUYLYRXFMYCKIZ-KBPBESRZSA-N 1 0 394.447 3.087 20 5 GGBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000273388858 1434985513 /nfs/dbraw/zinc/98/55/13/1434985513.db2.gz CVGHITDIHXBGOY-CYBMUJFWSA-N 1 0 382.892 3.162 20 5 GGBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273446807 1434989410 /nfs/dbraw/zinc/98/94/10/1434989410.db2.gz KHUMSJIEUQDGDF-CYBMUJFWSA-N 1 0 387.415 3.476 20 5 GGBDRO COc1cc(C[NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1O ZINC000273510441 1434993482 /nfs/dbraw/zinc/99/34/82/1434993482.db2.gz QRHIMWYHOQMTJK-QAPCUYQASA-N 1 0 376.384 3.458 20 5 GGBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000273520181 1434994363 /nfs/dbraw/zinc/99/43/63/1434994363.db2.gz QJPMWBQXUINKKE-QILLFSRXSA-N 1 0 393.484 3.253 20 5 GGBDRO C[C@H]1C[NH+](CCCCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000273856581 1435022264 /nfs/dbraw/zinc/02/22/64/1435022264.db2.gz MVPRWAIHGVVYQR-GJZGRUSLSA-N 1 0 395.475 3.017 20 5 GGBDRO Cc1nn(CCc2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)c(C)c1[N+](=O)[O-] ZINC000273942097 1435030558 /nfs/dbraw/zinc/03/05/58/1435030558.db2.gz UBSCDTLQIVBMQP-UHFFFAOYSA-N 1 0 396.451 3.297 20 5 GGBDRO COc1cc(C[NH2+][C@H]2CCO[C@H](C3CC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000274296549 1435058933 /nfs/dbraw/zinc/05/89/33/1435058933.db2.gz RGKNPDZDNMFSLT-ZFWWWQNUSA-N 1 0 386.395 3.295 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000274801314 1435093734 /nfs/dbraw/zinc/09/37/34/1435093734.db2.gz FKGQPWFRXKJNMU-LAUBAEHRSA-N 1 0 396.491 3.058 20 5 GGBDRO C[NH+](C)CCc1ccccc1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000275679489 1435159016 /nfs/dbraw/zinc/15/90/16/1435159016.db2.gz PXLRPHSDIYNFKN-UHFFFAOYSA-N 1 0 397.479 3.053 20 5 GGBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275727892 1435163227 /nfs/dbraw/zinc/16/32/27/1435163227.db2.gz XDFMWEZNGGNGDG-MRXNPFEDSA-N 1 0 381.476 3.180 20 5 GGBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275727879 1435163244 /nfs/dbraw/zinc/16/32/44/1435163244.db2.gz XDFMWEZNGGNGDG-INIZCTEOSA-N 1 0 381.476 3.180 20 5 GGBDRO CCOC(=O)c1cc(C(=O)Nc2ccccc2CC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000275793933 1435169963 /nfs/dbraw/zinc/16/99/63/1435169963.db2.gz HUPSZOQMTSGZBD-UHFFFAOYSA-N 1 0 385.420 3.128 20 5 GGBDRO C[N@H+](CCCO)C1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000275830257 1435173430 /nfs/dbraw/zinc/17/34/30/1435173430.db2.gz AXLSOFDTZCRUCG-UHFFFAOYSA-N 1 0 393.487 3.012 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)NCC2([NH+](C)C)CCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000275875551 1435176375 /nfs/dbraw/zinc/17/63/75/1435176375.db2.gz KHZGJIYEOQXHCQ-OAHLLOKOSA-N 1 0 397.479 3.377 20 5 GGBDRO CS[C@@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@H]1[NH+](C)C ZINC000275910277 1435179191 /nfs/dbraw/zinc/17/91/91/1435179191.db2.gz DJNQHIHMZONKTR-RTBURBONSA-N 1 0 381.501 3.211 20 5 GGBDRO CCN(CCC[NH+]1CCCC1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000276390696 1435208678 /nfs/dbraw/zinc/20/86/78/1435208678.db2.gz FMILUICUZXVHEV-UHFFFAOYSA-N 1 0 388.512 3.146 20 5 GGBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000276504512 1435215036 /nfs/dbraw/zinc/21/50/36/1435215036.db2.gz VKQBAHMFRRYXKW-UHFFFAOYSA-N 1 0 381.498 3.273 20 5 GGBDRO CC(=O)N(C[C@H]1CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000276671414 1435224190 /nfs/dbraw/zinc/22/41/90/1435224190.db2.gz ZDEGSXJJYAQXNH-LJQANCHMSA-N 1 0 398.463 3.268 20 5 GGBDRO CCCCN(C)C(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000276824084 1435235465 /nfs/dbraw/zinc/23/54/65/1435235465.db2.gz ABFGHGIYSJBCBE-UHFFFAOYSA-N 1 0 377.485 3.464 20 5 GGBDRO CCOc1cc(C[NH2+][C@H](C)c2ccc(OCC(=O)OC)cc2)ccc1[N+](=O)[O-] ZINC000276903942 1435241601 /nfs/dbraw/zinc/24/16/01/1435241601.db2.gz MAPFXXIGNKMDOE-CQSZACIVSA-N 1 0 388.420 3.396 20 5 GGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000277152212 1435269693 /nfs/dbraw/zinc/26/96/93/1435269693.db2.gz DUPXPRYBLSGSQB-OAHLLOKOSA-N 1 0 397.541 3.098 20 5 GGBDRO Cc1noc(C[C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)c2ccccc2)n1 ZINC000277215886 1435279540 /nfs/dbraw/zinc/27/95/40/1435279540.db2.gz NOXHHLKTXSCWBK-GOSISDBHSA-N 1 0 395.419 3.107 20 5 GGBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000277280150 1435288724 /nfs/dbraw/zinc/28/87/24/1435288724.db2.gz NHNFUYGGLUSZGU-QGZVFWFLSA-N 1 0 377.488 3.097 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1c2ccc(C)cc2[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000277559980 1435312800 /nfs/dbraw/zinc/31/28/00/1435312800.db2.gz JWCJPLAONBIVKM-HKUYNNGSSA-N 1 0 381.432 3.360 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@H]([C@@H](O)C(F)(F)F)C3)o2)c1 ZINC000277624826 1435317186 /nfs/dbraw/zinc/31/71/86/1435317186.db2.gz ASCRXTCETRCOAP-SUMWQHHRSA-N 1 0 399.369 3.428 20 5 GGBDRO O=C(c1cccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1)N1CCOCC1 ZINC000278175684 1435366510 /nfs/dbraw/zinc/36/65/10/1435366510.db2.gz CWXMSPCRHWTQJN-OAQYLSRUSA-N 1 0 395.459 3.234 20 5 GGBDRO Cn1cc(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000278342374 1435381772 /nfs/dbraw/zinc/38/17/72/1435381772.db2.gz HTTLVPRSEUDECH-DYVFJYSZSA-N 1 0 398.385 3.131 20 5 GGBDRO Cc1cnccc1OC1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000278651068 1435410517 /nfs/dbraw/zinc/41/05/17/1435410517.db2.gz PUBBKYSESBTHAE-UHFFFAOYSA-N 1 0 384.436 3.170 20 5 GGBDRO Cn1cc([C@@H]2C[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C[C@H]2CO)cn1 ZINC000278661471 1435411425 /nfs/dbraw/zinc/41/14/25/1435411425.db2.gz KORAZZXMFSIMOE-YJBOKZPZSA-N 1 0 398.488 3.265 20 5 GGBDRO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c1F ZINC000278664950 1435411743 /nfs/dbraw/zinc/41/17/43/1435411743.db2.gz XHZGOAOIOVYDKF-UHFFFAOYSA-N 1 0 386.427 3.355 20 5 GGBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC(c2ncc3n2CCCC3)CC1 ZINC000278668759 1435412264 /nfs/dbraw/zinc/41/22/64/1435412264.db2.gz AKXXYHNHWWAMLC-UHFFFAOYSA-N 1 0 397.479 3.259 20 5 GGBDRO O=[N+]([O-])c1ccc2[nH]c(CNC3CC[NH+](CCc4ccc(F)cc4)CC3)nc2c1 ZINC000278748083 1435419675 /nfs/dbraw/zinc/41/96/75/1435419675.db2.gz RUPXOXZFGJVGID-UHFFFAOYSA-N 1 0 397.454 3.407 20 5 GGBDRO CS(=O)(=O)Nc1ccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000278758010 1435420518 /nfs/dbraw/zinc/42/05/18/1435420518.db2.gz OHGBWKWZISUWRG-GOSISDBHSA-N 1 0 375.450 3.134 20 5 GGBDRO O=[N+]([O-])c1ccc2[nH]c(CNC3CC[NH+](CCc4ccccc4)CC3)nc2c1 ZINC000278772220 1435422055 /nfs/dbraw/zinc/42/20/55/1435422055.db2.gz USKXIZLPABCKKN-UHFFFAOYSA-N 1 0 379.464 3.268 20 5 GGBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)n1 ZINC000278822770 1435427353 /nfs/dbraw/zinc/42/73/53/1435427353.db2.gz IQGQIVSKWJYWLY-UHFFFAOYSA-N 1 0 392.459 3.442 20 5 GGBDRO CC(C)[NH2+]C1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000278850762 1435431115 /nfs/dbraw/zinc/43/11/15/1435431115.db2.gz DGASUYZIQOXJFY-UHFFFAOYSA-N 1 0 388.390 3.286 20 5 GGBDRO O=C1[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCN1Cc1ccccn1 ZINC000278863133 1435432527 /nfs/dbraw/zinc/43/25/27/1435432527.db2.gz WLPBXHLBNVSPDV-PMACEKPBSA-N 1 0 380.448 3.148 20 5 GGBDRO CCN(CCC[NH+](C)C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000278980832 1435448442 /nfs/dbraw/zinc/44/84/42/1435448442.db2.gz IJIIKGRFWOGIFS-UHFFFAOYSA-N 1 0 376.379 3.097 20 5 GGBDRO CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000279083239 1435458543 /nfs/dbraw/zinc/45/85/43/1435458543.db2.gz MWCOREVYSVSRDB-GOSISDBHSA-N 1 0 389.477 3.015 20 5 GGBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000279095335 1435459857 /nfs/dbraw/zinc/45/98/57/1435459857.db2.gz UHXRWCOZFFLNBQ-GFCCVEGCSA-N 1 0 388.390 3.097 20 5 GGBDRO CC1(C)C[C@H]([NH2+]Cc2ccc(NS(C)(=O)=O)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000279158099 1435466026 /nfs/dbraw/zinc/46/60/26/1435466026.db2.gz TYNIBMBOONEEMH-SFHVURJKSA-N 1 0 389.477 3.479 20 5 GGBDRO O=C(C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000279319489 1435486077 /nfs/dbraw/zinc/48/60/77/1435486077.db2.gz SCRMCCHTIRBQCM-VUCTXSBTSA-N 1 0 379.844 3.124 20 5 GGBDRO O=C(C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000279319477 1435486139 /nfs/dbraw/zinc/48/61/39/1435486139.db2.gz SCRMCCHTIRBQCM-CSMYWGQOSA-N 1 0 379.844 3.124 20 5 GGBDRO O=C(C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000279319482 1435486149 /nfs/dbraw/zinc/48/61/49/1435486149.db2.gz SCRMCCHTIRBQCM-JCURWCKSSA-N 1 0 379.844 3.124 20 5 GGBDRO COc1cc(C[N@@H+]2CCC[C@](C)(O)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000279578831 1435515285 /nfs/dbraw/zinc/51/52/85/1435515285.db2.gz BGOVXJXMFDWLPS-INIZCTEOSA-N 1 0 392.374 3.281 20 5 GGBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC1CC[NH+](C2CC2)CC1 ZINC000279665766 1435526165 /nfs/dbraw/zinc/52/61/65/1435526165.db2.gz DWENBMJVOXSART-UHFFFAOYSA-N 1 0 386.374 3.040 20 5 GGBDRO O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000279717627 1435534434 /nfs/dbraw/zinc/53/44/34/1435534434.db2.gz QOTKLBBKEVIIDC-GASCZTMLSA-N 1 0 387.386 3.077 20 5 GGBDRO C[C@@H]1OCC[C@@]12C[N@H+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)C[C@@H](C)O2 ZINC000279787394 1435543164 /nfs/dbraw/zinc/54/31/64/1435543164.db2.gz OALHQKCJIIKVJM-QEEYODRMSA-N 1 0 387.436 3.061 20 5 GGBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000279998059 1435574403 /nfs/dbraw/zinc/57/44/03/1435574403.db2.gz KXVYOWYZRBBISG-GJZGRUSLSA-N 1 0 375.469 3.376 20 5 GGBDRO Cc1cccc(CC2(O)CC[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000280295369 1435628779 /nfs/dbraw/zinc/62/87/79/1435628779.db2.gz FLCALAZOFAJUBW-UHFFFAOYSA-N 1 0 397.475 3.301 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](CO)[C@@H]3CCOC3)o2)c(Cl)c1 ZINC000280340839 1435639955 /nfs/dbraw/zinc/63/99/55/1435639955.db2.gz RFQIYKOPQFCHSM-OLZOCXBDSA-N 1 0 380.828 3.243 20 5 GGBDRO COc1cc(C[NH2+]CCc2cccc(C)n2)c([N+](=O)[O-])cc1OCC(F)F ZINC000280619851 1435691180 /nfs/dbraw/zinc/69/11/80/1435691180.db2.gz PJTMMNZXMVGICU-UHFFFAOYSA-N 1 0 381.379 3.283 20 5 GGBDRO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)c2c(c1)COCO2 ZINC000280716074 1435708506 /nfs/dbraw/zinc/70/85/06/1435708506.db2.gz BTZITNDWSLXJLP-QRVBRYPASA-N 1 0 376.453 3.367 20 5 GGBDRO Cc1cc(OCC(=O)Nc2ccccc2NC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000280768757 1435716726 /nfs/dbraw/zinc/71/67/26/1435716726.db2.gz IWZIBOKNTYOITH-UHFFFAOYSA-N 1 0 398.463 3.427 20 5 GGBDRO O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCC[C@H]1C[NH+]1CCCC1 ZINC000280901017 1435738832 /nfs/dbraw/zinc/73/88/32/1435738832.db2.gz HNMOECWKIUZFNM-KRWDZBQOSA-N 1 0 380.448 3.357 20 5 GGBDRO COc1ccc([C@@H]([NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C2CC2)cc1 ZINC000280906414 1435740160 /nfs/dbraw/zinc/74/01/60/1435740160.db2.gz QCTZKAKNNSVKRQ-FQEVSTJZSA-N 1 0 399.403 3.012 20 5 GGBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](c2cccs2)[NH+]2CCCC2)n1 ZINC000280960718 1435748041 /nfs/dbraw/zinc/74/80/41/1435748041.db2.gz KVHSASVSEXIWPJ-AWEZNQCLSA-N 1 0 376.438 3.087 20 5 GGBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccco1)[NH+](CC)CC ZINC000281068294 1435767120 /nfs/dbraw/zinc/76/71/20/1435767120.db2.gz ZLMBVUWPCHRLNL-OAHLLOKOSA-N 1 0 375.425 3.399 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000281085473 1435771450 /nfs/dbraw/zinc/77/14/50/1435771450.db2.gz RXVRLHCHQLBBFX-IEBWSBKVSA-N 1 0 381.432 3.360 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)NC2(C[NH+](C)C)CCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000281161716 1435787053 /nfs/dbraw/zinc/78/70/53/1435787053.db2.gz WVPXEMUUPLFAMF-OAHLLOKOSA-N 1 0 397.479 3.377 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000282053162 1435832779 /nfs/dbraw/zinc/83/27/79/1435832779.db2.gz VKOAGCUFCVYQOM-OAHLLOKOSA-N 1 0 376.457 3.333 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000282107964 1435834937 /nfs/dbraw/zinc/83/49/37/1435834937.db2.gz ZTSCBEOASVHJAJ-UHFFFAOYSA-N 1 0 399.451 3.175 20 5 GGBDRO Cn1cc(C[NH2+]C2CCN(c3nccs3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000282252680 1435840228 /nfs/dbraw/zinc/84/02/28/1435840228.db2.gz OPKYIBPQFWTGGU-UHFFFAOYSA-N 1 0 398.492 3.210 20 5 GGBDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000282402386 1435845933 /nfs/dbraw/zinc/84/59/33/1435845933.db2.gz FKOFHKAJJCKTQZ-DLBZAZTESA-N 1 0 393.484 3.253 20 5 GGBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000282412472 1435846293 /nfs/dbraw/zinc/84/62/93/1435846293.db2.gz LEUFQZIQIYDZQY-QGZVFWFLSA-N 1 0 376.482 3.143 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000283026661 1435871080 /nfs/dbraw/zinc/87/10/80/1435871080.db2.gz PXCKOSIIMZVNLC-KRWDZBQOSA-N 1 0 384.436 3.390 20 5 GGBDRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283527989 1435894045 /nfs/dbraw/zinc/89/40/45/1435894045.db2.gz NOBFLEPYOWRJHR-OAHLLOKOSA-N 1 0 394.435 3.197 20 5 GGBDRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283690441 1435904794 /nfs/dbraw/zinc/90/47/94/1435904794.db2.gz ADMPNNHFSMXTTE-CYBMUJFWSA-N 1 0 386.427 3.272 20 5 GGBDRO CC(=O)c1cc(N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000283734021 1435912603 /nfs/dbraw/zinc/91/26/03/1435912603.db2.gz IDWXKYFNVZPTON-GJZGRUSLSA-N 1 0 375.469 3.123 20 5 GGBDRO C[NH+]1CCC(Oc2ccc(CNC(=O)NCc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000283887378 1435944957 /nfs/dbraw/zinc/94/49/57/1435944957.db2.gz HJFAJRKZQVGVFN-UHFFFAOYSA-N 1 0 398.463 3.067 20 5 GGBDRO C[C@@H]1CN(C[C@H]2CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@@H](C)O1 ZINC000284117150 1435993239 /nfs/dbraw/zinc/99/32/39/1435993239.db2.gz UAUYQDUACNSOAO-MGPQQGTHSA-N 1 0 396.875 3.354 20 5 GGBDRO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@H](C)O1 ZINC000284117156 1435993565 /nfs/dbraw/zinc/99/35/65/1435993565.db2.gz UAUYQDUACNSOAO-MJBXVCDLSA-N 1 0 396.875 3.354 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000284298718 1436010899 /nfs/dbraw/zinc/01/08/99/1436010899.db2.gz GOHCRCMJDYSBCF-CQSZACIVSA-N 1 0 392.475 3.433 20 5 GGBDRO COc1cc(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)ccc1[N+](=O)[O-] ZINC000284449511 1436022783 /nfs/dbraw/zinc/02/27/83/1436022783.db2.gz KMCJJXRABOBINU-UHFFFAOYSA-N 1 0 399.447 3.006 20 5 GGBDRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)CC1 ZINC000284627293 1436035549 /nfs/dbraw/zinc/03/55/49/1436035549.db2.gz UXZBEHXEAIBLIV-UHFFFAOYSA-N 1 0 387.411 3.137 20 5 GGBDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)cc1 ZINC000284651699 1436037799 /nfs/dbraw/zinc/03/77/99/1436037799.db2.gz FFAPYUGZSLTPQW-CQSZACIVSA-N 1 0 378.450 3.118 20 5 GGBDRO CCC[C@@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000284744396 1436045509 /nfs/dbraw/zinc/04/55/09/1436045509.db2.gz FIVUIKJMPMACLL-MBOZVWFJSA-N 1 0 385.468 3.121 20 5 GGBDRO CCC[C@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000284744399 1436045564 /nfs/dbraw/zinc/04/55/64/1436045564.db2.gz FIVUIKJMPMACLL-SQGPQFPESA-N 1 0 385.468 3.121 20 5 GGBDRO CC[C@@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000284789413 1436050305 /nfs/dbraw/zinc/05/03/05/1436050305.db2.gz JNXJHQLFJSHYBK-DBXWQHBBSA-N 1 0 397.479 3.264 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CC[C@H]4[NH2+]CC[C@@H]43)c(Cl)nn2)cc1 ZINC001164412213 718877235 /nfs/dbraw/zinc/87/72/35/718877235.db2.gz ULYSWJXCJFWIMH-HIFRSBDPSA-N 1 0 395.797 3.191 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CC[C@H]4[NH2+]CC[C@H]43)c(Cl)nn2)cc1 ZINC001164412215 718877340 /nfs/dbraw/zinc/87/73/40/718877340.db2.gz ULYSWJXCJFWIMH-UKRRQHHQSA-N 1 0 395.797 3.191 20 5 GGBDRO [NH3+][C@]12C[C@H]1CCN(C(F)(F)c1cc(-c3cccc([N+](=O)[O-])c3)nnc1Cl)C2 ZINC001164420285 718897335 /nfs/dbraw/zinc/89/73/35/718897335.db2.gz KZGROTOIIQHVIE-BZNIZROVSA-N 1 0 395.797 3.178 20 5 GGBDRO O=[N+]([O-])c1ccc(C(F)(F)N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)nc1Cl ZINC001164423654 718941383 /nfs/dbraw/zinc/94/13/83/718941383.db2.gz JCUVPGXOTKTIPY-QWHCGFSZSA-N 1 0 380.782 3.264 20 5 GGBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)c1 ZINC001164425562 718941922 /nfs/dbraw/zinc/94/19/22/718941922.db2.gz WCPINXAOBKHNRX-DZGCQCFKSA-N 1 0 380.782 3.264 20 5 GGBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2C[C@@H]3[NH2+]Cc4ccccc4[C@H]3C2)c1 ZINC001164425564 718942040 /nfs/dbraw/zinc/94/20/40/718942040.db2.gz WCPINXAOBKHNRX-HIFRSBDPSA-N 1 0 380.782 3.264 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCC[C@H]4[NH2+]C[C@H]43)c(Cl)nn2)c1 ZINC001164450609 719002429 /nfs/dbraw/zinc/00/24/29/719002429.db2.gz YYICGTGYCIEVRM-UKRRQHHQSA-N 1 0 395.797 3.191 20 5 GGBDRO Cc1nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)ccc1[N+](=O)[O-] ZINC001164697473 719886639 /nfs/dbraw/zinc/88/66/39/719886639.db2.gz BZBVWIGGLJPTGG-UHFFFAOYSA-N 1 0 388.493 3.231 20 5 GGBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc3c(cccc3[N+](=O)[O-])n1)C2 ZINC001164807040 720110397 /nfs/dbraw/zinc/11/03/97/720110397.db2.gz ASYXNNCFKYVCSN-JTSKRJEESA-N 1 0 396.491 3.328 20 5 GGBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc3c(cccc3[N+](=O)[O-])n1)C2 ZINC001164807038 720110801 /nfs/dbraw/zinc/11/08/01/720110801.db2.gz ASYXNNCFKYVCSN-HTAPYJJXSA-N 1 0 396.491 3.328 20 5 GGBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc3c(cccc3[N+](=O)[O-])n1)C2 ZINC001164807045 720110848 /nfs/dbraw/zinc/11/08/48/720110848.db2.gz ASYXNNCFKYVCSN-VGSWGCGISA-N 1 0 396.491 3.328 20 5 GGBDRO O=[N+]([O-])c1ccc2ccc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc2c1 ZINC001164725421 720366325 /nfs/dbraw/zinc/36/63/25/720366325.db2.gz NHXFDWPAWTYJCB-VQTJNVASSA-N 1 0 375.432 3.391 20 5 GGBDRO O=[N+]([O-])c1ccc2ccc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc2c1 ZINC001164725417 720366669 /nfs/dbraw/zinc/36/66/69/720366669.db2.gz NHXFDWPAWTYJCB-PMACEKPBSA-N 1 0 375.432 3.391 20 5 GGBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c2ccccc21 ZINC001164726983 720373842 /nfs/dbraw/zinc/37/38/42/720373842.db2.gz QAOUONJCMRSQMT-RTBURBONSA-N 1 0 375.432 3.391 20 5 GGBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2c1 ZINC001164725696 720423830 /nfs/dbraw/zinc/42/38/30/720423830.db2.gz AQHYXTOWNKXUAS-UXHICEINSA-N 1 0 375.432 3.391 20 5 GGBDRO Cc1c(C)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)ncc1[N+](=O)[O-] ZINC001164835841 720556068 /nfs/dbraw/zinc/55/60/68/720556068.db2.gz IDSVQKPPUPDTSY-GUDVDZBRSA-N 1 0 398.511 3.181 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164839176 720556111 /nfs/dbraw/zinc/55/61/11/720556111.db2.gz PSJJIQSDWPDJKG-GBESFXJTSA-N 1 0 398.511 3.181 20 5 GGBDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cccc([N+](=O)[O-])n1)CC2 ZINC001164837576 720671852 /nfs/dbraw/zinc/67/18/52/720671852.db2.gz DBZJVRPVEYUCCP-GOSISDBHSA-N 1 0 382.464 3.250 20 5 GGBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc([N+](=O)[O-])cc(Cl)n1)[C@H]2C ZINC001164858454 720921340 /nfs/dbraw/zinc/92/13/40/720921340.db2.gz NJTYVQZTCHAQSO-LBPRGKRZSA-N 1 0 378.864 3.261 20 5 GGBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc([N+](=O)[O-])cc(Cl)n1)[C@@H]2C ZINC001164858453 720921394 /nfs/dbraw/zinc/92/13/94/720921394.db2.gz NJTYVQZTCHAQSO-GFCCVEGCSA-N 1 0 378.864 3.261 20 5 GGBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cnc3ccc([N+](=O)[O-])cc3n1)[C@H]2C ZINC001164863699 720931933 /nfs/dbraw/zinc/93/19/33/720931933.db2.gz YSEOYENDBYSCNK-AWEZNQCLSA-N 1 0 395.467 3.156 20 5 GGBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cnc3cc([N+](=O)[O-])ccc3n1)[C@@H]2C ZINC001164856173 720936748 /nfs/dbraw/zinc/93/67/48/720936748.db2.gz CCSWJOKIELQDOD-CQSZACIVSA-N 1 0 395.467 3.156 20 5 GGBDRO Cc1ccc(C[NH+]2CCC3(CCN(c4cc([N+](=O)[O-])cc[n+]4[O-])CC3)CC2)cc1 ZINC001164765440 721041827 /nfs/dbraw/zinc/04/18/27/721041827.db2.gz PKRGOOUTCFBPKX-UHFFFAOYSA-N 1 0 396.491 3.419 20 5 GGBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc5ccc6cccnc6c5n4)C[C@H]3C2)cn1 ZINC001164770376 721096010 /nfs/dbraw/zinc/09/60/10/721096010.db2.gz PVQNVGDMNHSFSR-LEWJYISDSA-N 1 0 398.514 3.475 20 5 GGBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC4(C3)CC[N@H+](CC3CC3)C4)nn2)ccc1F ZINC001164775020 721301578 /nfs/dbraw/zinc/30/15/78/721301578.db2.gz MRPJDYXDWQANDX-UHFFFAOYSA-N 1 0 383.427 3.113 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164909254 721538839 /nfs/dbraw/zinc/53/88/39/721538839.db2.gz RAXGBYJLIRLXNW-FUHWJXTLSA-N 1 0 386.427 3.088 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164909244 721538987 /nfs/dbraw/zinc/53/89/87/721538987.db2.gz RAXGBYJLIRLXNW-AEFFLSMTSA-N 1 0 386.427 3.088 20 5 GGBDRO Cc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)ccc1[N+](=O)[O-] ZINC001165025423 721800736 /nfs/dbraw/zinc/80/07/36/721800736.db2.gz OCYHFRKWDRXIAU-XKGZKEIXSA-N 1 0 381.480 3.430 20 5 GGBDRO Cc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001165025421 721800861 /nfs/dbraw/zinc/80/08/61/721800861.db2.gz OCYHFRKWDRXIAU-ILZDJORESA-N 1 0 381.480 3.430 20 5 GGBDRO Cc1ccnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1[N+](=O)[O-] ZINC001165028804 721805502 /nfs/dbraw/zinc/80/55/02/721805502.db2.gz ZSLRFMBQVABGIC-YTQUADARSA-N 1 0 381.480 3.430 20 5 GGBDRO COc1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)ncc1[N+](=O)[O-] ZINC001165028256 721809285 /nfs/dbraw/zinc/80/92/85/721809285.db2.gz WTDIABOSZJUGJD-RYQLBKOJSA-N 1 0 397.479 3.130 20 5 GGBDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001164928840 721859794 /nfs/dbraw/zinc/85/97/94/721859794.db2.gz OPQUSQPPVMGIGZ-HZPDHXFCSA-N 1 0 389.887 3.011 20 5 GGBDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001164928839 721859911 /nfs/dbraw/zinc/85/99/11/721859911.db2.gz OPQUSQPPVMGIGZ-HOTGVXAUSA-N 1 0 389.887 3.011 20 5 GGBDRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001164934135 721880426 /nfs/dbraw/zinc/88/04/26/721880426.db2.gz PPNLWMPPFUBIGC-SJORKVTESA-N 1 0 389.887 3.011 20 5 GGBDRO COc1cc2ncnc(N3CCCC[C@H]3CC[NH+]3CCCC3)c2cc1[N+](=O)[O-] ZINC001165049415 721970728 /nfs/dbraw/zinc/97/07/28/721970728.db2.gz SNSBCNJOWMJRNZ-HNNXBMFYSA-N 1 0 385.468 3.391 20 5 GGBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc21 ZINC001164955246 722019328 /nfs/dbraw/zinc/01/93/28/722019328.db2.gz BTBZZIWHSHFRTM-UHFFFAOYSA-N 1 0 392.463 3.359 20 5 GGBDRO CC[NH+](CC)CCCC1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000825412342 947181116 /nfs/dbraw/zinc/18/11/16/947181116.db2.gz OZGHSPNGTSVZGO-UHFFFAOYSA-N 1 0 387.488 3.113 20 5 GGBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2cc(F)c(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001575516982 949222620 /nfs/dbraw/zinc/22/26/20/949222620.db2.gz SHMJSYQTDKGGQX-OCCSQVGLSA-N 1 0 397.414 3.161 20 5 GGBDRO C[C@@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001589306562 953746752 /nfs/dbraw/zinc/74/67/52/953746752.db2.gz YGGRNWQIZKQPIN-VQIMIIECSA-N 1 0 389.496 3.034 20 5 GGBDRO C[C@@H](C(=O)[O-])[N@H+](CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)C1CCC1 ZINC001589486403 987028079 /nfs/dbraw/zinc/02/80/79/987028079.db2.gz NXXXNUJSJPGMIO-INIZCTEOSA-N 1 0 389.496 3.177 20 5 GGBDRO C[C@@H]1CC[N@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)[C@H](C(=O)[O-])C1 ZINC001594419006 999563819 /nfs/dbraw/zinc/56/38/19/999563819.db2.gz MZWVNZAMZFHVBS-UZLBHIALSA-N 1 0 389.496 3.034 20 5 GGBDRO C[C@H]1CC[N@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)[C@@H](C(=O)[O-])C1 ZINC001594419004 999563889 /nfs/dbraw/zinc/56/38/89/999563889.db2.gz MZWVNZAMZFHVBS-OXJNMPFZSA-N 1 0 389.496 3.034 20 5 GGBDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1C ZINC000453633990 1126093505 /nfs/dbraw/zinc/09/35/05/1126093505.db2.gz RBFIDDHIVPWBSO-FQEVSTJZSA-N 1 0 394.475 3.305 20 5 GGBDRO COc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000609707708 1126100510 /nfs/dbraw/zinc/10/05/10/1126100510.db2.gz UPTXYXSILSLWRO-WMLDXEAASA-N 1 0 384.354 3.228 20 5 GGBDRO COc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000609707707 1126100637 /nfs/dbraw/zinc/10/06/37/1126100637.db2.gz UPTXYXSILSLWRO-RHSMWYFYSA-N 1 0 384.354 3.228 20 5 GGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)cc1 ZINC000023707199 207281917 /nfs/dbraw/zinc/28/19/17/207281917.db2.gz DABKRDVDJXROHO-UHFFFAOYSA-N 1 0 399.476 3.461 20 5 GGBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC(C[NH+]3CCCCC3)CC2)c1C ZINC000058010675 207761018 /nfs/dbraw/zinc/76/10/18/207761018.db2.gz PMNPWYNZLKHQJC-UHFFFAOYSA-N 1 0 395.525 3.098 20 5 GGBDRO CS[C@H]1CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000089314160 208105354 /nfs/dbraw/zinc/10/53/54/208105354.db2.gz QIRNWTDYQGLUQH-OALUTQOASA-N 1 0 385.489 3.308 20 5 GGBDRO CC[N@H+](CCC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)CC1CC1 ZINC000095457702 208185340 /nfs/dbraw/zinc/18/53/40/208185340.db2.gz KCWFUDCTXIIYHF-UHFFFAOYSA-N 1 0 395.525 3.118 20 5 GGBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)C[NH+]1CCCCC1 ZINC000119390880 564269059 /nfs/dbraw/zinc/26/90/59/564269059.db2.gz NAPTURFYUNIATR-GFCCVEGCSA-N 1 0 384.274 3.209 20 5 GGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000119652608 564282135 /nfs/dbraw/zinc/28/21/35/564282135.db2.gz ZNKHJPXCOYJHNS-VXGBXAGGSA-N 1 0 384.274 3.208 20 5 GGBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)[NH+]1CCC(C)CC1 ZINC000119964714 564297910 /nfs/dbraw/zinc/29/79/10/564297910.db2.gz JMETVJYBMACECD-LBPRGKRZSA-N 1 0 384.274 3.208 20 5 GGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000120936856 564344227 /nfs/dbraw/zinc/34/42/27/564344227.db2.gz XUKGBHNQGGTTOA-AWEZNQCLSA-N 1 0 398.301 3.233 20 5 GGBDRO NC(=O)c1ccc(CN2CCc3c(Br)cccc3C2)c([N+](=O)[O-])c1 ZINC000121151762 564356166 /nfs/dbraw/zinc/35/61/66/564356166.db2.gz LVEALLGOJSNYEN-UHFFFAOYSA-N 1 0 390.237 3.015 20 5 GGBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000121576914 564375828 /nfs/dbraw/zinc/37/58/28/564375828.db2.gz IDBFHOQBRRHSFP-LLVKDONJSA-N 1 0 382.258 3.104 20 5 GGBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000121679435 564380418 /nfs/dbraw/zinc/38/04/18/564380418.db2.gz FTKOBJQLSWPBAD-ZDUSSCGKSA-N 1 0 382.258 3.058 20 5 GGBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000032441040 564400778 /nfs/dbraw/zinc/40/07/78/564400778.db2.gz DMKKEKOEBGSPSG-NEPJUHHUSA-N 1 0 389.905 3.098 20 5 GGBDRO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)C1CCCC1 ZINC000122392859 564412178 /nfs/dbraw/zinc/41/21/78/564412178.db2.gz GPYIOOQSQDVFJH-UHFFFAOYSA-N 1 0 384.274 3.304 20 5 GGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000122472653 564415715 /nfs/dbraw/zinc/41/57/15/564415715.db2.gz KHKYKMQVRMEDMP-AWEZNQCLSA-N 1 0 384.274 3.304 20 5 GGBDRO C[NH+](C)CCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000122496115 564416623 /nfs/dbraw/zinc/41/66/23/564416623.db2.gz RPGOUWUAWNYNMV-UHFFFAOYSA-N 1 0 384.274 3.161 20 5 GGBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000122951085 564433389 /nfs/dbraw/zinc/43/33/89/564433389.db2.gz SJWZFPYGVXNAPB-ZIAGYGMSSA-N 1 0 382.258 3.056 20 5 GGBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000123999490 564468272 /nfs/dbraw/zinc/46/82/72/564468272.db2.gz BXSQSOKSAJEEFI-UHFFFAOYSA-N 1 0 396.241 3.154 20 5 GGBDRO Cc1c(Br)cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000125086495 564502513 /nfs/dbraw/zinc/50/25/13/564502513.db2.gz AUYCAPKSURGLPF-IINYFYTJSA-N 1 0 384.274 3.078 20 5 GGBDRO CC(C)([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000047258122 564515861 /nfs/dbraw/zinc/51/58/61/564515861.db2.gz OIFQOPWWNRORRE-UHFFFAOYSA-N 1 0 392.253 3.481 20 5 GGBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000125912879 564531019 /nfs/dbraw/zinc/53/10/19/564531019.db2.gz BYSOFBRSTMUYRT-LBPRGKRZSA-N 1 0 384.274 3.080 20 5 GGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000126963046 564568780 /nfs/dbraw/zinc/56/87/80/564568780.db2.gz LGMDGQDERZFSJI-KGLIPLIRSA-N 1 0 396.285 3.365 20 5 GGBDRO Cc1c(Br)cc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000127120077 564574154 /nfs/dbraw/zinc/57/41/54/564574154.db2.gz GXESDTFPXPPGHJ-SKDRFNHKSA-N 1 0 382.258 3.021 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000127773075 564595386 /nfs/dbraw/zinc/59/53/86/564595386.db2.gz QIAYVXVQDUBIHB-WFASDCNBSA-N 1 0 396.285 3.222 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000127914459 564601011 /nfs/dbraw/zinc/60/10/11/564601011.db2.gz PZSBCGUWKPUQTB-SWLSCSKDSA-N 1 0 396.285 3.222 20 5 GGBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1 ZINC000055298161 564619331 /nfs/dbraw/zinc/61/93/31/564619331.db2.gz PKUKPHRXZJWDBR-UHFFFAOYSA-N 1 0 389.905 3.052 20 5 GGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)n1 ZINC000134456410 564803350 /nfs/dbraw/zinc/80/33/50/564803350.db2.gz GKCOMAOBTPJPAQ-JTQLQIEISA-N 1 0 375.376 3.146 20 5 GGBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000078604259 564864036 /nfs/dbraw/zinc/86/40/36/564864036.db2.gz LGJPHZCENHPACB-SNVBAGLBSA-N 1 0 380.798 3.315 20 5 GGBDRO COCC[N@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000093005894 564883396 /nfs/dbraw/zinc/88/33/96/564883396.db2.gz VNQHEXPCYNYTRT-UHFFFAOYSA-N 1 0 399.241 3.058 20 5 GGBDRO C[NH2+]CCC1CCN(c2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000097349699 564907521 /nfs/dbraw/zinc/90/75/21/564907521.db2.gz JLLZPVIOCUOLJU-UHFFFAOYSA-N 1 0 389.237 3.025 20 5 GGBDRO C[NH+](C)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C(C)(C)C ZINC000152402099 564957936 /nfs/dbraw/zinc/95/79/36/564957936.db2.gz CCXFSDLDRQSOGZ-AWEZNQCLSA-N 1 0 386.290 3.454 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000152611145 564965524 /nfs/dbraw/zinc/96/55/24/564965524.db2.gz CNUDQXGUGHQISN-ZDUSSCGKSA-N 1 0 396.285 3.033 20 5 GGBDRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000106186100 564980474 /nfs/dbraw/zinc/98/04/74/564980474.db2.gz CZMJIHDHUJWXOW-UHFFFAOYSA-N 1 0 391.921 3.237 20 5 GGBDRO C[NH+](C)Cc1cccc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000153101988 564984558 /nfs/dbraw/zinc/98/45/58/564984558.db2.gz TVJBPGMYCOEEJY-UHFFFAOYSA-N 1 0 392.253 3.349 20 5 GGBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc(I)cc1[N+](=O)[O-] ZINC000107801832 565002490 /nfs/dbraw/zinc/00/24/90/565002490.db2.gz IQGSUWXDWRQOJF-NSHDSACASA-N 1 0 375.210 3.096 20 5 GGBDRO C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1c(Br)cccc1[N+](=O)[O-] ZINC000154006465 565021949 /nfs/dbraw/zinc/02/19/49/565021949.db2.gz FQTGJXPHZUSGTB-CQSZACIVSA-N 1 0 395.253 3.229 20 5 GGBDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110214854 565037885 /nfs/dbraw/zinc/03/78/85/565037885.db2.gz ODYWOVLMEZAOQK-UHFFFAOYSA-N 1 0 383.901 3.340 20 5 GGBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCCCCC[NH+]1CCCCC1 ZINC000111357491 565053558 /nfs/dbraw/zinc/05/35/58/565053558.db2.gz YOYJXULRKMNHAF-UHFFFAOYSA-N 1 0 389.905 3.183 20 5 GGBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000155107194 565061763 /nfs/dbraw/zinc/06/17/63/565061763.db2.gz IDBWKEWZKVNCRJ-LLVKDONJSA-N 1 0 385.262 3.163 20 5 GGBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000155116316 565062244 /nfs/dbraw/zinc/06/22/44/565062244.db2.gz QRSYVPOGDJBQRN-GFCCVEGCSA-N 1 0 383.246 3.059 20 5 GGBDRO COc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(Br)cc1O ZINC000113335973 565069208 /nfs/dbraw/zinc/06/92/08/565069208.db2.gz QNVWFISTMSDZGX-UHFFFAOYSA-N 1 0 381.226 3.404 20 5 GGBDRO CC(C)OCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000267283548 565112793 /nfs/dbraw/zinc/11/27/93/565112793.db2.gz VVJRNRMFOPGVJR-UHFFFAOYSA-N 1 0 387.278 3.054 20 5 GGBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000267451665 565118514 /nfs/dbraw/zinc/11/85/14/565118514.db2.gz NACULTKCCSNKCI-AWEZNQCLSA-N 1 0 396.285 3.448 20 5 GGBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000267488657 565119438 /nfs/dbraw/zinc/11/94/38/565119438.db2.gz VWSIFQZEUOZIMO-CYBMUJFWSA-N 1 0 382.258 3.058 20 5 GGBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC([NH+]2CCCCC2)CC1 ZINC000267503948 565119763 /nfs/dbraw/zinc/11/97/63/565119763.db2.gz VQXPLKBQURJURF-UHFFFAOYSA-N 1 0 396.285 3.448 20 5 GGBDRO Cc1cc(Cl)c(S(=O)(=O)N(C)C2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000267677760 565127211 /nfs/dbraw/zinc/12/72/11/565127211.db2.gz PFUMGDPVNFYKFR-UHFFFAOYSA-N 1 0 389.905 3.050 20 5 GGBDRO C[NH+]1CCC2(CCCN2C(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000370203875 565133015 /nfs/dbraw/zinc/13/30/15/565133015.db2.gz KZIJBLVRTJEFGG-UHFFFAOYSA-N 1 0 382.258 3.058 20 5 GGBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000267939915 565135184 /nfs/dbraw/zinc/13/51/84/565135184.db2.gz RNURSYCNXIBLSJ-MNOVXSKESA-N 1 0 388.237 3.099 20 5 GGBDRO CC(C)[N@@H+]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000267951162 565135876 /nfs/dbraw/zinc/13/58/76/565135876.db2.gz WNBLPMUMFIXKJV-UHFFFAOYSA-N 1 0 388.237 3.053 20 5 GGBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267983364 565136970 /nfs/dbraw/zinc/13/69/70/565136970.db2.gz YIWVSZAYMNBNIS-JTQLQIEISA-N 1 0 388.237 3.101 20 5 GGBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000268278320 565146000 /nfs/dbraw/zinc/14/60/00/565146000.db2.gz XRDPHIWSSOSVIT-GFCCVEGCSA-N 1 0 384.274 3.065 20 5 GGBDRO O=[N+]([O-])c1cc(Br)cnc1NCc1ccnc(N2CCCC2)c1 ZINC000268518364 565155824 /nfs/dbraw/zinc/15/58/24/565155824.db2.gz ZFMPLWHPAAOMRE-UHFFFAOYSA-N 1 0 378.230 3.360 20 5 GGBDRO C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268723857 565165398 /nfs/dbraw/zinc/16/53/98/565165398.db2.gz AEHVCDBJXNRQJN-OLZOCXBDSA-N 1 0 380.491 3.409 20 5 GGBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000158807879 565183952 /nfs/dbraw/zinc/18/39/52/565183952.db2.gz VKPJWUNJVGUXQG-UHFFFAOYSA-N 1 0 392.253 3.349 20 5 GGBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000269340026 565186908 /nfs/dbraw/zinc/18/69/08/565186908.db2.gz VLXPTEBRMQBVFH-AWEZNQCLSA-N 1 0 382.258 3.058 20 5 GGBDRO CN1Cc2ccccc2[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000372296128 565230193 /nfs/dbraw/zinc/23/01/93/565230193.db2.gz CJFWUYKIZIEOSX-INIZCTEOSA-N 1 0 390.237 3.274 20 5 GGBDRO COc1ccc(C[NH2+][C@H](CO)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000270960956 565233683 /nfs/dbraw/zinc/23/36/83/565233683.db2.gz AQGWJGIAOQOZPP-CQSZACIVSA-N 1 0 381.226 3.189 20 5 GGBDRO C[N@H+]1CC=C(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)CC1 ZINC000271885483 565270791 /nfs/dbraw/zinc/27/07/91/565270791.db2.gz CXNNOODHIQSVND-UHFFFAOYSA-N 1 0 388.649 3.002 20 5 GGBDRO CCc1nc(C)c([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000273495105 565322524 /nfs/dbraw/zinc/32/25/24/565322524.db2.gz XQEGQJNZXSZJAN-LLVKDONJSA-N 1 0 383.495 3.047 20 5 GGBDRO Cc1c(Br)cc(C(=O)N(CC[NH+](C)C)CC(C)C)cc1[N+](=O)[O-] ZINC000164198577 565355941 /nfs/dbraw/zinc/35/59/41/565355941.db2.gz QECHABFCLVBMEF-UHFFFAOYSA-N 1 0 386.290 3.326 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000375042805 565365496 /nfs/dbraw/zinc/36/54/96/565365496.db2.gz NBPOOJCTDOFKCY-RYUDHWBXSA-N 1 0 382.258 3.022 20 5 GGBDRO C[C@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000375380505 565384305 /nfs/dbraw/zinc/38/43/05/565384305.db2.gz PTLPBIGLHSMIEA-BLLLJJGKSA-N 1 0 387.311 3.364 20 5 GGBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000275758602 565425227 /nfs/dbraw/zinc/42/52/27/565425227.db2.gz CFOKKHFEMVYVBO-UHFFFAOYSA-N 1 0 388.237 3.053 20 5 GGBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000277102601 565476760 /nfs/dbraw/zinc/47/67/60/565476760.db2.gz CPXKXPZPTIJZMG-NSHDSACASA-N 1 0 388.237 3.053 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccsc1 ZINC000277261993 565486206 /nfs/dbraw/zinc/48/62/06/565486206.db2.gz LLQIKYJPWPJPJR-CYBMUJFWSA-N 1 0 398.282 3.452 20 5 GGBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc(I)cc2[N+](=O)[O-])C1 ZINC000301453417 565487076 /nfs/dbraw/zinc/48/70/76/565487076.db2.gz GNOYYYJLLOQHQK-GFCCVEGCSA-N 1 0 389.237 3.120 20 5 GGBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000172531668 565490754 /nfs/dbraw/zinc/49/07/54/565490754.db2.gz VPIXLMNLCVZMBK-CYBMUJFWSA-N 1 0 382.258 3.058 20 5 GGBDRO COc1ccccc1[C@H](CNc1ncc([N+](=O)[O-])cc1Br)[NH+](C)C ZINC000301558007 565495175 /nfs/dbraw/zinc/49/51/75/565495175.db2.gz STZAOVNLUJOFBV-AWEZNQCLSA-N 1 0 395.257 3.476 20 5 GGBDRO COc1ccccc1[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])[NH+](C)C ZINC000301671981 565502985 /nfs/dbraw/zinc/50/29/85/565502985.db2.gz FTYMGYNFLMKQEN-CQSZACIVSA-N 1 0 395.257 3.476 20 5 GGBDRO COc1cc[nH+]c(N2CCN(c3cc(Br)ccc3[N+](=O)[O-])CC2)c1 ZINC000301670288 565503635 /nfs/dbraw/zinc/50/36/35/565503635.db2.gz NOEILRVLXYCLPX-UHFFFAOYSA-N 1 0 393.241 3.088 20 5 GGBDRO O=[N+]([O-])c1cc(Br)cnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000301779146 565509048 /nfs/dbraw/zinc/50/90/48/565509048.db2.gz MLDGEIWFFXQTOP-SMDDNHRTSA-N 1 0 381.274 3.205 20 5 GGBDRO O=[N+]([O-])c1cc(Br)cnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000301779145 565509378 /nfs/dbraw/zinc/50/93/78/565509378.db2.gz MLDGEIWFFXQTOP-FZMZJTMJSA-N 1 0 381.274 3.205 20 5 GGBDRO C[NH+](C)[C@H](CNc1c(Br)cncc1[N+](=O)[O-])Cc1ccccc1 ZINC000301825790 565511974 /nfs/dbraw/zinc/51/19/74/565511974.db2.gz DWXPREKBZIUBLU-ZDUSSCGKSA-N 1 0 379.258 3.337 20 5 GGBDRO C[C@H]1C[NH+](CCCCNc2c(Br)cncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301901623 565517483 /nfs/dbraw/zinc/51/74/83/565517483.db2.gz VSHRTDQRYNOHBG-RYUDHWBXSA-N 1 0 387.278 3.054 20 5 GGBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3Br)C2)CC1 ZINC000277783238 565520186 /nfs/dbraw/zinc/52/01/86/565520186.db2.gz ZLGRUICNZUOJLT-CYBMUJFWSA-N 1 0 396.285 3.161 20 5 GGBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000378286165 565520213 /nfs/dbraw/zinc/52/02/13/565520213.db2.gz RXLUNHJMNUDVHV-NWDGAFQWSA-N 1 0 383.246 3.106 20 5 GGBDRO CN1CC[NH+](CCC(C)(C)Nc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000302278975 565539359 /nfs/dbraw/zinc/53/93/59/565539359.db2.gz UINGFYZTOPDXNH-UHFFFAOYSA-N 1 0 385.306 3.185 20 5 GGBDRO C[C@H](O)C[N@@H+]1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000302384274 565541362 /nfs/dbraw/zinc/54/13/62/565541362.db2.gz AJJQWTHUBSWNPD-ZJUUUORDSA-N 1 0 381.782 3.158 20 5 GGBDRO CC1(C)CN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000302518588 565544548 /nfs/dbraw/zinc/54/45/48/565544548.db2.gz HXKLXGLNZZCGHC-UHFFFAOYSA-N 1 0 381.782 3.160 20 5 GGBDRO CCN1CC[NH+](C[C@@H](C)CNc2cc(C)c([N+](=O)[O-])cc2Br)CC1 ZINC000302652988 565548604 /nfs/dbraw/zinc/54/86/04/565548604.db2.gz GZJJUSMKSKGUGK-ZDUSSCGKSA-N 1 0 399.333 3.351 20 5 GGBDRO Cc1cc(NC[C@H](C(C)C)N2CC[NH+](C)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302660883 565548961 /nfs/dbraw/zinc/54/89/61/565548961.db2.gz IGYGZBOZGPGFKW-QGZVFWFLSA-N 1 0 399.333 3.350 20 5 GGBDRO Cc1cc(N[C@H](C)CC[NH+]2CCN(C)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302666165 565549045 /nfs/dbraw/zinc/54/90/45/565549045.db2.gz JISLFCOSOOMFSK-CYBMUJFWSA-N 1 0 385.306 3.104 20 5 GGBDRO C[C@H]([NH2+]CCNC(=O)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000173412875 565556603 /nfs/dbraw/zinc/55/66/03/565556603.db2.gz WMRVBQBRBOCDSQ-LBPRGKRZSA-N 1 0 392.253 3.438 20 5 GGBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCC1CC[NH+](C2CC2)CC1 ZINC000278461382 565560286 /nfs/dbraw/zinc/56/02/86/565560286.db2.gz YGPSCKVCQHFOJT-UHFFFAOYSA-N 1 0 383.901 3.331 20 5 GGBDRO Cc1c(C[NH2+]C[C@H](O)COc2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000392519327 565565922 /nfs/dbraw/zinc/56/59/22/565565922.db2.gz IEBMIFRYUXWBOE-HNNXBMFYSA-N 1 0 395.253 3.195 20 5 GGBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000173593569 565569799 /nfs/dbraw/zinc/56/97/99/565569799.db2.gz GKKKWUNJXZXXSU-LBPRGKRZSA-N 1 0 384.274 3.161 20 5 GGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000173810405 565588743 /nfs/dbraw/zinc/58/87/43/565588743.db2.gz BVUGZOOXHWHWSY-GFCCVEGCSA-N 1 0 384.274 3.161 20 5 GGBDRO O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000322099244 565607992 /nfs/dbraw/zinc/60/79/92/565607992.db2.gz DFEQJDDASOJDKY-GFCCVEGCSA-N 1 0 382.258 3.058 20 5 GGBDRO COC(=O)c1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000325792729 565622544 /nfs/dbraw/zinc/62/25/44/565622544.db2.gz ZFSDQOFDCNBJSB-UHFFFAOYSA-N 1 0 393.237 3.476 20 5 GGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)cc1 ZINC000326584799 565624824 /nfs/dbraw/zinc/62/48/24/565624824.db2.gz BUEXDXQFURGQQF-HNNXBMFYSA-N 1 0 385.247 3.474 20 5 GGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)cc1 ZINC000326684243 565624854 /nfs/dbraw/zinc/62/48/54/565624854.db2.gz PAEXUJLJHWWPRF-CQSZACIVSA-N 1 0 385.247 3.474 20 5 GGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)cc1 ZINC000326684242 565625105 /nfs/dbraw/zinc/62/51/05/565625105.db2.gz PAEXUJLJHWWPRF-AWEZNQCLSA-N 1 0 385.247 3.474 20 5 GGBDRO COc1cc(C[NH2+]C[C@@H]2CCSC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000280118855 565652975 /nfs/dbraw/zinc/65/29/75/565652975.db2.gz PJSZVYCKSXVSGX-JTQLQIEISA-N 1 0 380.388 3.387 20 5 GGBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)c1 ZINC000174740645 565654601 /nfs/dbraw/zinc/65/46/01/565654601.db2.gz RDKUSOFAFKETOY-CQSZACIVSA-N 1 0 385.251 3.124 20 5 GGBDRO CC(C)[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174740400 565654710 /nfs/dbraw/zinc/65/47/10/565654710.db2.gz VOXSDSBPLKWKIL-AWEZNQCLSA-N 1 0 387.267 3.370 20 5 GGBDRO O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000192338575 565681057 /nfs/dbraw/zinc/68/10/57/565681057.db2.gz IKXGZMWWHDKHPZ-CYBMUJFWSA-N 1 0 396.285 3.448 20 5 GGBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000192358796 565681888 /nfs/dbraw/zinc/68/18/88/565681888.db2.gz MDWCZNMCFNFZRD-LBPRGKRZSA-N 1 0 384.274 3.161 20 5 GGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000192378399 565683332 /nfs/dbraw/zinc/68/33/32/565683332.db2.gz VZPRMNSWSBHIQY-NEPJUHHUSA-N 1 0 382.258 3.056 20 5 GGBDRO COc1ccc(C[NH2+]CCCCn2cc(Br)cn2)cc1[N+](=O)[O-] ZINC000280707589 565690494 /nfs/dbraw/zinc/69/04/94/565690494.db2.gz WXHBGLVFACDBPW-UHFFFAOYSA-N 1 0 383.246 3.132 20 5 GGBDRO Cn1c(Sc2ccc([N+](=O)[O-])cc2Br)nnc1[C@H]1CCC[NH2+]C1 ZINC000280974868 565705728 /nfs/dbraw/zinc/70/57/28/565705728.db2.gz HZFFRYTZFPFKCQ-VIFPVBQESA-N 1 0 398.286 3.104 20 5 GGBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C1 ZINC000330473081 565708046 /nfs/dbraw/zinc/70/80/46/565708046.db2.gz PXTTUBFARYHHEV-GFCCVEGCSA-N 1 0 384.274 3.222 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000330481212 565709136 /nfs/dbraw/zinc/70/91/36/565709136.db2.gz OXQSGCCWNPRWFK-ZDUSSCGKSA-N 1 0 396.285 3.366 20 5 GGBDRO CC(C)[NH+]1CCC(N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000331300361 565753254 /nfs/dbraw/zinc/75/32/54/565753254.db2.gz QTIVCIVNWAMSDS-UHFFFAOYSA-N 1 0 398.301 3.231 20 5 GGBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC1(c2ccc(Br)cc2)CC1 ZINC000176260816 565760989 /nfs/dbraw/zinc/76/09/89/565760989.db2.gz IDGLSKWODHXAQS-UHFFFAOYSA-N 1 0 379.258 3.217 20 5 GGBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000331501450 565762924 /nfs/dbraw/zinc/76/29/24/565762924.db2.gz HHTBJDGNDVDVMZ-OCCSQVGLSA-N 1 0 383.901 3.426 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000331530324 565765189 /nfs/dbraw/zinc/76/51/89/565765189.db2.gz PEJOPCBVNCJXAL-KOLCDFICSA-N 1 0 382.258 3.021 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000331530367 565765472 /nfs/dbraw/zinc/76/54/72/565765472.db2.gz PEJOPCBVNCJXAL-ONGXEEELSA-N 1 0 382.258 3.021 20 5 GGBDRO COCC[C@@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000282214482 565770100 /nfs/dbraw/zinc/77/01/00/565770100.db2.gz MHPGRPIQLNVZJP-NSHDSACASA-N 1 0 399.241 3.104 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000331901885 565792073 /nfs/dbraw/zinc/79/20/73/565792073.db2.gz GXQKHKOQQGMHND-GFCCVEGCSA-N 1 0 396.285 3.412 20 5 GGBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000331948013 565795397 /nfs/dbraw/zinc/79/53/97/565795397.db2.gz OEJCXHJETFFGMD-GFCCVEGCSA-N 1 0 382.258 3.104 20 5 GGBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176927458 565815408 /nfs/dbraw/zinc/81/54/08/565815408.db2.gz UNOJDEIDTOWGKA-UHFFFAOYSA-N 1 0 392.253 3.349 20 5 GGBDRO Cc1c(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000332234213 565819268 /nfs/dbraw/zinc/81/92/68/565819268.db2.gz PJOZUNMEPOJZJF-CYZMBNFOSA-N 1 0 397.273 3.257 20 5 GGBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000176989844 565820699 /nfs/dbraw/zinc/82/06/99/565820699.db2.gz WYPDVUJBSDKBSW-STQMWFEESA-N 1 0 398.301 3.455 20 5 GGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177024517 565824038 /nfs/dbraw/zinc/82/40/38/565824038.db2.gz ALDYSCUOIGBHKX-VXGBXAGGSA-N 1 0 384.274 3.208 20 5 GGBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000332302978 565827205 /nfs/dbraw/zinc/82/72/05/565827205.db2.gz NREANUXXYKRQQD-CQSZACIVSA-N 1 0 383.901 3.427 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000332524970 565842502 /nfs/dbraw/zinc/84/25/02/565842502.db2.gz BQGSTNWGXVFFHL-YPMHNXCESA-N 1 0 396.285 3.365 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000332524964 565842940 /nfs/dbraw/zinc/84/29/40/565842940.db2.gz BQGSTNWGXVFFHL-AAEUAGOBSA-N 1 0 396.285 3.365 20 5 GGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000177349948 565844504 /nfs/dbraw/zinc/84/45/04/565844504.db2.gz MCJODOHGBNJKNX-GFCCVEGCSA-N 1 0 384.274 3.161 20 5 GGBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000332597136 565846158 /nfs/dbraw/zinc/84/61/58/565846158.db2.gz PPCMDSXOSHIRGQ-CHWSQXEVSA-N 1 0 396.285 3.365 20 5 GGBDRO Cc1c(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000332608414 565847806 /nfs/dbraw/zinc/84/78/06/565847806.db2.gz FJJZEEOKRCRUAP-MFKMUULPSA-N 1 0 397.273 3.366 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000284406904 565852820 /nfs/dbraw/zinc/85/28/20/565852820.db2.gz RCXYWACIMOYOBU-UHFFFAOYSA-N 1 0 398.301 3.470 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000284434121 565853914 /nfs/dbraw/zinc/85/39/14/565853914.db2.gz UCMCMMXOXDIJTE-CYBMUJFWSA-N 1 0 396.285 3.224 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000284541404 565857318 /nfs/dbraw/zinc/85/73/18/565857318.db2.gz DARWTCMRGKGOOW-NSHDSACASA-N 1 0 382.258 3.046 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N3CCC[C@H]([NH3+])C3)cc2[N+](=O)[O-])n1 ZINC000195110025 565859621 /nfs/dbraw/zinc/85/96/21/565859621.db2.gz QXVWXOMNVSTKQO-LBPRGKRZSA-N 1 0 378.479 3.074 20 5 GGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000177790204 565874385 /nfs/dbraw/zinc/87/43/85/565874385.db2.gz OBKWCWUXBITZPZ-YPMHNXCESA-N 1 0 382.258 3.056 20 5 GGBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000285939128 565934200 /nfs/dbraw/zinc/93/42/00/565934200.db2.gz USQYELDLJUCPBO-NHYWBVRUSA-N 1 0 382.258 3.056 20 5 GGBDRO O=C(CC[NH2+]Cc1ccccc1[N+](=O)[O-])Nc1ccc(Br)cc1 ZINC000236617497 565941417 /nfs/dbraw/zinc/94/14/17/565941417.db2.gz LAXFOFLSRBGUND-UHFFFAOYSA-N 1 0 378.226 3.476 20 5 GGBDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CS1 ZINC000414496828 565943374 /nfs/dbraw/zinc/94/33/74/565943374.db2.gz JDSOLBFJFUUAOO-KCJUWKMLSA-N 1 0 378.235 3.183 20 5 GGBDRO CC[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)[C@H](O)C(C)C ZINC000414525414 565945147 /nfs/dbraw/zinc/94/51/47/565945147.db2.gz JQBHAQIWMZAEKB-UONOGXRCSA-N 1 0 392.237 3.085 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3CCC[NH2+]3)o2)c(Br)c1 ZINC000414851710 565964269 /nfs/dbraw/zinc/96/42/69/565964269.db2.gz UQWBIXYCUWELHU-NSHDSACASA-N 1 0 380.242 3.459 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000179569516 565990393 /nfs/dbraw/zinc/99/03/93/565990393.db2.gz DAHJRBIOVGYXNE-GFCCVEGCSA-N 1 0 375.516 3.126 20 5 GGBDRO Cc1c(NC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000415655492 566012130 /nfs/dbraw/zinc/01/21/30/566012130.db2.gz KIQVUGNZTXYWFP-SKDRFNHKSA-N 1 0 385.262 3.257 20 5 GGBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000246158473 566018851 /nfs/dbraw/zinc/01/88/51/566018851.db2.gz HIWOGVJTRZGKFV-XQQFMLRXSA-N 1 0 398.301 3.454 20 5 GGBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)C(C)(C)C[NH+]1CCCC1 ZINC000416106577 566034322 /nfs/dbraw/zinc/03/43/22/566034322.db2.gz NDBHRPOXAYIHLS-UHFFFAOYSA-N 1 0 384.274 3.304 20 5 GGBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180434479 566062495 /nfs/dbraw/zinc/06/24/95/566062495.db2.gz ZMDJCDOADFHJOZ-WBMJQRKESA-N 1 0 395.253 3.448 20 5 GGBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000180553059 566072204 /nfs/dbraw/zinc/07/22/04/566072204.db2.gz WIZHXISWECKKPO-LBPRGKRZSA-N 1 0 384.274 3.208 20 5 GGBDRO Cc1c(Cl)cc(S(=O)(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000248168974 566073537 /nfs/dbraw/zinc/07/35/37/566073537.db2.gz UIOYNIYLJQTTFA-LBPRGKRZSA-N 1 0 389.905 3.099 20 5 GGBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000248461514 566078837 /nfs/dbraw/zinc/07/88/37/566078837.db2.gz VBGLXWNRGSNQOF-TZMCWYRMSA-N 1 0 383.901 3.283 20 5 GGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000255552148 566121541 /nfs/dbraw/zinc/12/15/41/566121541.db2.gz KAEBEMRWLULKGV-HYXAFXHYSA-N 1 0 380.853 3.325 20 5 GGBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC1CC[NH+](CC2CC2)CC1 ZINC000182278400 566194639 /nfs/dbraw/zinc/19/46/39/566194639.db2.gz QGPOWZABZKFNTM-UHFFFAOYSA-N 1 0 383.901 3.331 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)c1cccs1 ZINC000182660803 566218235 /nfs/dbraw/zinc/21/82/35/566218235.db2.gz WDMGDNXWZOXFIU-LBPRGKRZSA-N 1 0 398.282 3.452 20 5 GGBDRO COC[C@@H](CCO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000265808891 566241926 /nfs/dbraw/zinc/24/19/26/566241926.db2.gz VKEFBZRACJPHAB-LLVKDONJSA-N 1 0 399.241 3.104 20 5 GGBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000265829416 566242624 /nfs/dbraw/zinc/24/26/24/566242624.db2.gz SNFZPMYXUDWOOB-CYBMUJFWSA-N 1 0 382.258 3.058 20 5 GGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C[C@H]3CCOC3)CC2)c(Br)c1 ZINC000266260036 566248003 /nfs/dbraw/zinc/24/80/03/566248003.db2.gz OVMHLZVJVZZJKZ-GFCCVEGCSA-N 1 0 384.274 3.270 20 5 GGBDRO O=C(NCCC[NH2+]C1CCCCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000419924217 566252438 /nfs/dbraw/zinc/25/24/38/566252438.db2.gz QUQLSYNNUXIIFZ-UHFFFAOYSA-N 1 0 384.274 3.400 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000555815844 566252684 /nfs/dbraw/zinc/25/26/84/566252684.db2.gz VYVRKEFJJZBTLT-UHFFFAOYSA-N 1 0 384.274 3.127 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000555810323 566252837 /nfs/dbraw/zinc/25/28/37/566252837.db2.gz RESXNWMDAWKLMK-GFCCVEGCSA-N 1 0 384.274 3.126 20 5 GGBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C2CCSCC2)c1 ZINC000575167756 566255892 /nfs/dbraw/zinc/25/58/92/566255892.db2.gz POBCSFFABWGQLT-UHFFFAOYSA-N 1 0 378.235 3.185 20 5 GGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599597687 566278973 /nfs/dbraw/zinc/27/89/73/566278973.db2.gz KWMAJDSFJDRSGA-LBPRGKRZSA-N 1 0 384.274 3.304 20 5 GGBDRO [NH3+]CCC[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000420470838 566279840 /nfs/dbraw/zinc/27/98/40/566279840.db2.gz XWQFUJDPPBPFFD-AWEZNQCLSA-N 1 0 383.857 3.007 20 5 GGBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000575918166 566297341 /nfs/dbraw/zinc/29/73/41/566297341.db2.gz NVDCPAPIXRJZJS-HOTGVXAUSA-N 1 0 398.301 3.090 20 5 GGBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599808154 566298185 /nfs/dbraw/zinc/29/81/85/566298185.db2.gz ZIWLNUICLZFQEM-UHFFFAOYSA-N 1 0 384.274 3.305 20 5 GGBDRO Cc1cc(N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c(Br)cc1[N+](=O)[O-] ZINC000575974461 566302696 /nfs/dbraw/zinc/30/26/96/566302696.db2.gz IIVVMIRFRPBHFP-YOEHRIQHSA-N 1 0 398.301 3.388 20 5 GGBDRO CCN(C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000599986131 566308002 /nfs/dbraw/zinc/30/80/02/566308002.db2.gz ONDBSYFIMWBTQG-UHFFFAOYSA-N 1 0 384.274 3.222 20 5 GGBDRO O=C(NCCCCC[NH+]1CCCC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599975130 566308018 /nfs/dbraw/zinc/30/80/18/566308018.db2.gz JXNRBUDIPPCOJS-UHFFFAOYSA-N 1 0 384.274 3.353 20 5 GGBDRO CC[C@H](CSC)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000576032401 566309123 /nfs/dbraw/zinc/30/91/23/566309123.db2.gz KEOUIPSFARWMFN-LLVKDONJSA-N 1 0 380.251 3.431 20 5 GGBDRO COC(=O)c1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c(Br)c1 ZINC000556598161 566315452 /nfs/dbraw/zinc/31/54/52/566315452.db2.gz HQARKBDQYZCQAC-UHFFFAOYSA-N 1 0 393.237 3.476 20 5 GGBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCOc2ccc(Br)cc21 ZINC000445884497 566317183 /nfs/dbraw/zinc/31/71/83/566317183.db2.gz JQWBBFAJQCKEGS-ZDUSSCGKSA-N 1 0 381.230 3.009 20 5 GGBDRO CC(C)CCOCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000576197035 566325425 /nfs/dbraw/zinc/32/54/25/566325425.db2.gz SEDJXJQQYMUPFK-UHFFFAOYSA-N 1 0 392.237 3.352 20 5 GGBDRO Cc1c(Br)cc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000509677157 566327858 /nfs/dbraw/zinc/32/78/58/566327858.db2.gz FUSQFQNRENBXAK-LLVKDONJSA-N 1 0 384.274 3.127 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000576286056 566332343 /nfs/dbraw/zinc/33/23/43/566332343.db2.gz HEBWKZHLMCZOMM-CYBMUJFWSA-N 1 0 398.301 3.373 20 5 GGBDRO Cc1c(Br)cc(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000600313906 566332859 /nfs/dbraw/zinc/33/28/59/566332859.db2.gz LJOYASKPDWNQJU-GFCCVEGCSA-N 1 0 384.274 3.127 20 5 GGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000446259206 566338535 /nfs/dbraw/zinc/33/85/35/566338535.db2.gz UILDOIAFCUNPCD-CYBMUJFWSA-N 1 0 398.301 3.090 20 5 GGBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000446260944 566340262 /nfs/dbraw/zinc/34/02/62/566340262.db2.gz TXXHCTUPNHBMHE-ZDUSSCGKSA-N 1 0 398.301 3.090 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000556985329 566353187 /nfs/dbraw/zinc/35/31/87/566353187.db2.gz ZGFPWPFRKQPYJF-GFCCVEGCSA-N 1 0 384.274 3.268 20 5 GGBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000602496993 566473665 /nfs/dbraw/zinc/47/36/65/566473665.db2.gz XWWAEOCUQVPUAZ-QWHCGFSZSA-N 1 0 396.285 3.209 20 5 GGBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000602496988 566474445 /nfs/dbraw/zinc/47/44/45/566474445.db2.gz XWWAEOCUQVPUAZ-CHWSQXEVSA-N 1 0 396.285 3.209 20 5 GGBDRO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@H]1CCCOC1 ZINC000558457611 566474948 /nfs/dbraw/zinc/47/49/48/566474948.db2.gz YRVQGHXTVLJBOH-LLVKDONJSA-N 1 0 390.221 3.058 20 5 GGBDRO O=[N+]([O-])c1sc(C[NH2+]C2CCN(CC(F)F)CC2)cc1Br ZINC000602532125 566475261 /nfs/dbraw/zinc/47/52/61/566475261.db2.gz KNSCXGRZLXPKTM-UHFFFAOYSA-N 1 0 384.246 3.238 20 5 GGBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000602511337 566476700 /nfs/dbraw/zinc/47/67/00/566476700.db2.gz OLTQJBKKODQSBZ-OAHLLOKOSA-N 1 0 396.285 3.208 20 5 GGBDRO CN(C)C(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602544972 566477860 /nfs/dbraw/zinc/47/78/60/566477860.db2.gz CWSIJVKSZWXVMG-VHSXEESVSA-N 1 0 390.303 3.155 20 5 GGBDRO O=[N+]([O-])c1sc(C[NH2+]CCc2cn3c(n2)SCC3)cc1Br ZINC000602611925 566481415 /nfs/dbraw/zinc/48/14/15/566481415.db2.gz OMKHLSVHOJMJAN-UHFFFAOYSA-N 1 0 389.300 3.053 20 5 GGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)[C@@]12CCCO2 ZINC000602612206 566481798 /nfs/dbraw/zinc/48/17/98/566481798.db2.gz HPWWBFOOMFOABT-SCRDCRAPSA-N 1 0 391.287 3.235 20 5 GGBDRO CC(C)(C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@]1(O)CCCOC1 ZINC000602718685 566489242 /nfs/dbraw/zinc/48/92/42/566489242.db2.gz PUCPOOGVIJNBGV-AWEZNQCLSA-N 1 0 393.303 3.076 20 5 GGBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000423974528 566499379 /nfs/dbraw/zinc/49/93/79/566499379.db2.gz AJELGVVWLCVCEJ-UHFFFAOYSA-N 1 0 378.479 3.249 20 5 GGBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)c1 ZINC000578316024 566511044 /nfs/dbraw/zinc/51/10/44/566511044.db2.gz JZNJNHSDVHBKTR-OAHLLOKOSA-N 1 0 385.247 3.474 20 5 GGBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000578383479 566517797 /nfs/dbraw/zinc/51/77/97/566517797.db2.gz RMGKCKYTINOOHB-NSHDSACASA-N 1 0 391.269 3.224 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1ccc(Cl)cc1Cl ZINC000603824927 566540733 /nfs/dbraw/zinc/54/07/33/566540733.db2.gz ZYXZKVRFXKOBKB-CQSZACIVSA-N 1 0 385.247 3.474 20 5 GGBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000603864642 566544376 /nfs/dbraw/zinc/54/43/76/566544376.db2.gz GKFAQIIHZVDCBR-CHWSQXEVSA-N 1 0 391.269 3.366 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000559489811 566551617 /nfs/dbraw/zinc/55/16/17/566551617.db2.gz GEWOMOUVOHYETM-NSHDSACASA-N 1 0 384.274 3.127 20 5 GGBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000486033934 566551712 /nfs/dbraw/zinc/55/17/12/566551712.db2.gz ZPFNYGSZOREDFX-LBPRGKRZSA-N 1 0 384.274 3.047 20 5 GGBDRO CCC[C@H](C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)OC ZINC000449374932 566554794 /nfs/dbraw/zinc/55/47/94/566554794.db2.gz GRQLYORPOZWZEU-CYBMUJFWSA-N 1 0 378.210 3.104 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000559563561 566557330 /nfs/dbraw/zinc/55/73/30/566557330.db2.gz NJIHRWRCIPSYMS-LBPRGKRZSA-N 1 0 384.274 3.222 20 5 GGBDRO CC[C@@](C)(C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)OC ZINC000449475915 566566992 /nfs/dbraw/zinc/56/69/92/566566992.db2.gz LXEYVDFIGBZGSU-ZDUSSCGKSA-N 1 0 378.210 3.104 20 5 GGBDRO CC[C@](C)(C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)OC ZINC000449475912 566567323 /nfs/dbraw/zinc/56/73/23/566567323.db2.gz LXEYVDFIGBZGSU-CYBMUJFWSA-N 1 0 378.210 3.104 20 5 GGBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C[C@@H]1[NH+](C)C ZINC000539357276 566577698 /nfs/dbraw/zinc/57/76/98/566577698.db2.gz WPIOUHTWLBPZAP-HOCLYGCPSA-N 1 0 383.539 3.213 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000449599932 566580911 /nfs/dbraw/zinc/58/09/11/566580911.db2.gz MJPFJEUVSLFPKZ-LBPRGKRZSA-N 1 0 397.244 3.437 20 5 GGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)cc1 ZINC000449601805 566581761 /nfs/dbraw/zinc/58/17/61/566581761.db2.gz SGHQVJAEHWDLKC-ZDUSSCGKSA-N 1 0 397.244 3.437 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000449685706 566592527 /nfs/dbraw/zinc/59/25/27/566592527.db2.gz VLGOVUPKVWDNOB-CYBMUJFWSA-N 1 0 397.244 3.437 20 5 GGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000579524741 566615988 /nfs/dbraw/zinc/61/59/88/566615988.db2.gz PTIOWLAHVSEWEC-LBPRGKRZSA-N 1 0 386.290 3.136 20 5 GGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000540179111 566634148 /nfs/dbraw/zinc/63/41/48/566634148.db2.gz MQDLTZNTOPBBLJ-QLFBSQMISA-N 1 0 386.539 3.411 20 5 GGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC000540190392 566634381 /nfs/dbraw/zinc/63/43/81/566634381.db2.gz UDMYWNNHKYZNMJ-WLYUNCDWSA-N 1 0 386.539 3.411 20 5 GGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000540179107 566634805 /nfs/dbraw/zinc/63/48/05/566634805.db2.gz MQDLTZNTOPBBLJ-ILXRZTDVSA-N 1 0 386.539 3.411 20 5 GGBDRO C[C@@H]1C[N@@H+](C2CCN(Cc3ccc(Br)cc3[N+](=O)[O-])CC2)CCO1 ZINC000425406271 566640412 /nfs/dbraw/zinc/64/04/12/566640412.db2.gz MKPBXVBDOGFJPA-CYBMUJFWSA-N 1 0 398.301 3.042 20 5 GGBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc(Br)cc3[N+](=O)[O-])[C@H]2C1 ZINC000425455750 566645077 /nfs/dbraw/zinc/64/50/77/566645077.db2.gz GYDUNYCWTNHGEL-CWRNSKLLSA-N 1 0 396.285 3.094 20 5 GGBDRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])C1(C)C ZINC000425451592 566645458 /nfs/dbraw/zinc/64/54/58/566645458.db2.gz VXSPTWMPSRURLK-GDBMZVCRSA-N 1 0 387.274 3.013 20 5 GGBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425469777 566646842 /nfs/dbraw/zinc/64/68/42/566646842.db2.gz FDJCRQSMPYUBBJ-ZDUSSCGKSA-N 1 0 398.301 3.042 20 5 GGBDRO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@@H](O)Cc1ccccc1 ZINC000425480610 566649095 /nfs/dbraw/zinc/64/90/95/566649095.db2.gz PFSPEXRLKZYFKF-INIZCTEOSA-N 1 0 379.254 3.393 20 5 GGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCN(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000540590003 566659275 /nfs/dbraw/zinc/65/92/75/566659275.db2.gz DZLQBQBCCMORDX-UHFFFAOYSA-N 1 0 384.267 3.310 20 5 GGBDRO Cc1c(Br)c(NCC2([NH+]3CCCC3)CCOCC2)ncc1[N+](=O)[O-] ZINC000541578330 566734862 /nfs/dbraw/zinc/73/48/62/566734862.db2.gz JYLXTGOIZWGXCN-UHFFFAOYSA-N 1 0 399.289 3.118 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3COCCO3)o2)c(Br)c1 ZINC000608835974 566737883 /nfs/dbraw/zinc/73/78/83/566737883.db2.gz ALKCNIVABKHUGX-ZDUSSCGKSA-N 1 0 397.225 3.122 20 5 GGBDRO CC1(C)C[C@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCO1 ZINC000580982699 566738913 /nfs/dbraw/zinc/73/89/13/566738913.db2.gz LZKPTWPOQKKVIM-GFCCVEGCSA-N 1 0 390.221 3.247 20 5 GGBDRO CC[N@H+](CCNC(=O)c1cc(SC)ccc1[N+](=O)[O-])CCC(F)(F)F ZINC000427197605 566755772 /nfs/dbraw/zinc/75/57/72/566755772.db2.gz DFCZEEGHKXEWIX-UHFFFAOYSA-N 1 0 379.404 3.321 20 5 GGBDRO C[NH+](C)C1(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCCCC1 ZINC000516344211 566760142 /nfs/dbraw/zinc/76/01/42/566760142.db2.gz HDTZLJYQKCCDDJ-UHFFFAOYSA-N 1 0 389.905 3.181 20 5 GGBDRO COc1ccc(C[NH+]2CCC(n3cc(Br)cn3)CC2)cc1[N+](=O)[O-] ZINC000609464310 566765447 /nfs/dbraw/zinc/76/54/47/566765447.db2.gz MXQPVOOSNZQOJY-UHFFFAOYSA-N 1 0 395.257 3.400 20 5 GGBDRO CC(C)[NH2+]C1CCN(c2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000609595567 566775191 /nfs/dbraw/zinc/77/51/91/566775191.db2.gz OUNJNIYMBLMJHI-UHFFFAOYSA-N 1 0 389.237 3.166 20 5 GGBDRO CC(C)[NH2+][C@H]1CCCN(c2ccc(I)cc2[N+](=O)[O-])C1 ZINC000609595672 566775465 /nfs/dbraw/zinc/77/54/65/566775465.db2.gz ZPCPYTUCALKBQB-LBPRGKRZSA-N 1 0 389.237 3.166 20 5 GGBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCCc2ccc(Cl)cc2)cc1 ZINC000516922492 566791628 /nfs/dbraw/zinc/79/16/28/566791628.db2.gz DSDSDKKGRJRCLI-UHFFFAOYSA-N 1 0 382.869 3.244 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3(CO)CC3)o2)c(Br)c1 ZINC000610468046 566832792 /nfs/dbraw/zinc/83/27/92/566832792.db2.gz QKEJISNXGLZBFW-UHFFFAOYSA-N 1 0 381.226 3.479 20 5 GGBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000610512575 566838052 /nfs/dbraw/zinc/83/80/52/566838052.db2.gz MFKMMAIRSRPGCO-AWEZNQCLSA-N 1 0 391.269 3.463 20 5 GGBDRO Cc1ccc(Br)c(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000563007215 566843876 /nfs/dbraw/zinc/84/38/76/566843876.db2.gz GHYKLTQDLGNBEL-AWEZNQCLSA-N 1 0 395.253 3.195 20 5 GGBDRO COc1ccc(Br)cc1C[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000610704379 566853954 /nfs/dbraw/zinc/85/39/54/566853954.db2.gz SXLSJFZCRPJWKM-UHFFFAOYSA-N 1 0 383.246 3.003 20 5 GGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)Cc2ccccc2Br)c(F)c1 ZINC000428545579 566856831 /nfs/dbraw/zinc/85/68/31/566856831.db2.gz LWGYKGJZGSMZLI-GFCCVEGCSA-N 1 0 397.244 3.437 20 5 GGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2)cs1 ZINC000428545326 566856846 /nfs/dbraw/zinc/85/68/46/566856846.db2.gz VJZXQMDFZHDISG-GFCCVEGCSA-N 1 0 385.283 3.360 20 5 GGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)c(F)c1 ZINC000428546245 566856864 /nfs/dbraw/zinc/85/68/64/566856864.db2.gz XDRNFWBZVVWQSW-ZDUSSCGKSA-N 1 0 397.244 3.437 20 5 GGBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000470237389 566857748 /nfs/dbraw/zinc/85/77/48/566857748.db2.gz MJVNBTHHFXOCCQ-ZDUSSCGKSA-N 1 0 396.285 3.161 20 5 GGBDRO C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000470365785 566867786 /nfs/dbraw/zinc/86/77/86/566867786.db2.gz SRVQYXUAPGWQQK-ZDUSSCGKSA-N 1 0 382.869 3.415 20 5 GGBDRO COc1ccc(C[C@@](C)([NH3+])CNc2ncc([N+](=O)[O-])cc2Br)cc1 ZINC000611100805 566888848 /nfs/dbraw/zinc/88/88/48/566888848.db2.gz BBQJYRHNDIJVMV-MRXNPFEDSA-N 1 0 395.257 3.133 20 5 GGBDRO COc1ccc(C[C@](C)([NH3+])CNc2ncc([N+](=O)[O-])cc2Br)cc1 ZINC000611100800 566889284 /nfs/dbraw/zinc/88/92/84/566889284.db2.gz BBQJYRHNDIJVMV-INIZCTEOSA-N 1 0 395.257 3.133 20 5 GGBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2csc3ccccc23)cc1 ZINC000543621586 566894165 /nfs/dbraw/zinc/89/41/65/566894165.db2.gz WNQGCXCFKPIMEE-UHFFFAOYSA-N 1 0 376.459 3.373 20 5 GGBDRO CCCN(CCC[NH+](C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000470679060 566894301 /nfs/dbraw/zinc/89/43/01/566894301.db2.gz SLLWHPHFZAMYTP-UHFFFAOYSA-N 1 0 386.290 3.090 20 5 GGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](CO)c2ccc(Br)cc2)cc1 ZINC000543837077 566914487 /nfs/dbraw/zinc/91/44/87/566914487.db2.gz XCYRAKKSNOIJDI-MRXNPFEDSA-N 1 0 381.226 3.059 20 5 GGBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@@H](CO)c2ccc(Br)cc2)cc1 ZINC000611682562 566934160 /nfs/dbraw/zinc/93/41/60/566934160.db2.gz XXETZVNWCDYYPO-KRWDZBQOSA-N 1 0 395.253 3.449 20 5 GGBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000544094540 566937063 /nfs/dbraw/zinc/93/70/63/566937063.db2.gz YQXPFUFRSUHDHS-UHFFFAOYSA-N 1 0 379.507 3.339 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N[C@H](C)C[C@@H](C)[NH3+])cc2[N+](=O)[O-])n1 ZINC000564087303 566943392 /nfs/dbraw/zinc/94/33/92/566943392.db2.gz MNCGWFQGRNTTKF-NXEZZACHSA-N 1 0 380.495 3.367 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc2[N+](=O)[O-])n1 ZINC000564087306 566943783 /nfs/dbraw/zinc/94/37/83/566943783.db2.gz MNCGWFQGRNTTKF-ZJUUUORDSA-N 1 0 380.495 3.367 20 5 GGBDRO C[C@@H](O)CC(C)(C)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000564131367 566948063 /nfs/dbraw/zinc/94/80/63/566948063.db2.gz FISDCFVORYNKJS-SNVBAGLBSA-N 1 0 392.237 3.086 20 5 GGBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000519767118 566966546 /nfs/dbraw/zinc/96/65/46/566966546.db2.gz GDTUOVICLUHGQY-STQMWFEESA-N 1 0 383.901 3.188 20 5 GGBDRO CC[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000564390284 566971230 /nfs/dbraw/zinc/97/12/30/566971230.db2.gz LANQNFLTRQCDSE-ZIAGYGMSSA-N 1 0 390.221 3.247 20 5 GGBDRO CC[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000564390279 566971370 /nfs/dbraw/zinc/97/13/70/566971370.db2.gz LANQNFLTRQCDSE-KGLIPLIRSA-N 1 0 390.221 3.247 20 5 GGBDRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000564409815 566972242 /nfs/dbraw/zinc/97/22/42/566972242.db2.gz CFDYLMKDMNMBQI-BXUZGUMPSA-N 1 0 390.221 3.104 20 5 GGBDRO CC(C)OCCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000564407555 566973266 /nfs/dbraw/zinc/97/32/66/566973266.db2.gz HPYWRMXZKZMJPH-UHFFFAOYSA-N 1 0 378.210 3.104 20 5 GGBDRO Cc1cc(C(C)(C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)ccc1Br ZINC000520462524 567006680 /nfs/dbraw/zinc/00/66/80/567006680.db2.gz UWJWMAQVEKWNSF-UHFFFAOYSA-N 1 0 394.269 3.352 20 5 GGBDRO O=c1ccc(Br)cn1CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453243548 567066583 /nfs/dbraw/zinc/06/65/83/567066583.db2.gz GPUVKJXLZHIYRV-MRXNPFEDSA-N 1 0 392.253 3.186 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000585699269 567080809 /nfs/dbraw/zinc/08/08/09/567080809.db2.gz ADLQDXMWOOFOIW-LLVKDONJSA-N 1 0 384.274 3.126 20 5 GGBDRO O=[N+]([O-])c1cc2c(ncnc2NCC2([NH+]3CCSCC3)CCCC2)s1 ZINC000587197339 567102647 /nfs/dbraw/zinc/10/26/47/567102647.db2.gz DKBKPPBOKVMCBR-UHFFFAOYSA-N 1 0 379.511 3.373 20 5 GGBDRO C[NH+](C)C1(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCCCC1 ZINC000431773260 567106880 /nfs/dbraw/zinc/10/68/80/567106880.db2.gz UXAWCMGJZZCBBY-UHFFFAOYSA-N 1 0 384.274 3.352 20 5 GGBDRO CC1CC[NH+](CCCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000431779718 567107558 /nfs/dbraw/zinc/10/75/58/567107558.db2.gz BGJWULLCYKTETQ-UHFFFAOYSA-N 1 0 384.274 3.209 20 5 GGBDRO C[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000431806938 567109022 /nfs/dbraw/zinc/10/90/22/567109022.db2.gz DQKYTXKTDCVYPS-LBPRGKRZSA-N 1 0 384.274 3.208 20 5 GGBDRO CSc1cc(C)ccc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000566111928 567127520 /nfs/dbraw/zinc/12/75/20/567127520.db2.gz IJWVWEFMUIKTOL-UHFFFAOYSA-N 1 0 380.491 3.189 20 5 GGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000589314079 567174491 /nfs/dbraw/zinc/17/44/91/567174491.db2.gz HQNVVFVQKKRTDI-UHFFFAOYSA-N 1 0 375.226 3.337 20 5 GGBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@H]2CCCS2)c1 ZINC000589314786 567174782 /nfs/dbraw/zinc/17/47/82/567174782.db2.gz VJQHKMYEXXEAEO-GFCCVEGCSA-N 1 0 378.235 3.185 20 5 GGBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCC1(SC)CC[NH+](C)CC1 ZINC000589605304 567186953 /nfs/dbraw/zinc/18/69/53/567186953.db2.gz MCMVKNGFGYFMDW-UHFFFAOYSA-N 1 0 387.889 3.274 20 5 GGBDRO C[N@@H+]1CC[C@]2(CCN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])C2)C1 ZINC000589879251 567195773 /nfs/dbraw/zinc/19/57/73/567195773.db2.gz XSVJOAFZGVCKEC-KRWDZBQOSA-N 1 0 391.269 3.438 20 5 GGBDRO CCC[NH+](CCC)CCCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000524410003 567197704 /nfs/dbraw/zinc/19/77/04/567197704.db2.gz FZWMOPOKFHVJMS-UHFFFAOYSA-N 1 0 377.894 3.039 20 5 GGBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000567258519 567231289 /nfs/dbraw/zinc/23/12/89/567231289.db2.gz FJGWITUPQGNFBT-UHFFFAOYSA-N 1 0 386.290 3.470 20 5 GGBDRO Cc1cccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1Br ZINC000567701640 567269392 /nfs/dbraw/zinc/26/93/92/567269392.db2.gz HHEDRPRZIPDFBW-CQSZACIVSA-N 1 0 395.253 3.195 20 5 GGBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCCCC(F)(F)C2)cc1 ZINC000567708847 567270226 /nfs/dbraw/zinc/27/02/26/567270226.db2.gz XXAILGNPCHGQAZ-CYBMUJFWSA-N 1 0 376.425 3.174 20 5 GGBDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)[C@@H](C)C1 ZINC000567787409 567277671 /nfs/dbraw/zinc/27/76/71/567277671.db2.gz XUHXXCIFQZIMEF-PHIMTYICSA-N 1 0 384.274 3.220 20 5 GGBDRO C[NH+]1CCC2(CCCN2C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000548192048 567287029 /nfs/dbraw/zinc/28/70/29/567287029.db2.gz HDEFXAMEVVXBHJ-UHFFFAOYSA-N 1 0 382.258 3.058 20 5 GGBDRO O=[N+]([O-])c1cc(Br)ccc1CN1CCN(c2cc[nH+]cc2)CC1 ZINC000591845324 567301574 /nfs/dbraw/zinc/30/15/74/567301574.db2.gz LUHFUEVLEDBPGZ-UHFFFAOYSA-N 1 0 377.242 3.075 20 5 GGBDRO Cc1c(NC(=O)N2CC[N@@H+](C)CC[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000500179629 567305712 /nfs/dbraw/zinc/30/57/12/567305712.db2.gz XIKLKURPIKXVRS-SNVBAGLBSA-N 1 0 385.262 3.224 20 5 GGBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434443187 567308361 /nfs/dbraw/zinc/30/83/61/567308361.db2.gz VLHDUJBCCKCTCF-AWEZNQCLSA-N 1 0 383.901 3.473 20 5 GGBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000434437149 567308454 /nfs/dbraw/zinc/30/84/54/567308454.db2.gz NAEKFQRRNVSZLY-CYBMUJFWSA-N 1 0 382.258 3.104 20 5 GGBDRO O=[N+]([O-])c1cncc(Br)c1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000500259980 567310807 /nfs/dbraw/zinc/31/08/07/567310807.db2.gz CCSQCSJIGZFMEC-UHFFFAOYSA-N 1 0 391.269 3.382 20 5 GGBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000476393402 567319794 /nfs/dbraw/zinc/31/97/94/567319794.db2.gz YZSRIZIJMCOQEQ-GFCCVEGCSA-N 1 0 384.274 3.352 20 5 GGBDRO C[C@H]1SCC[C@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000592379974 567333901 /nfs/dbraw/zinc/33/39/01/567333901.db2.gz GBWJDLFSMFDKNZ-PRHODGIISA-N 1 0 378.235 3.183 20 5 GGBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000592552758 567345375 /nfs/dbraw/zinc/34/53/75/567345375.db2.gz VGUHLYHGCSQHQA-CYBMUJFWSA-N 1 0 383.901 3.188 20 5 GGBDRO Cc1c(NC(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435326249 567355873 /nfs/dbraw/zinc/35/58/73/567355873.db2.gz CEHFQVFDMCUOCO-ZYHUDNBSSA-N 1 0 385.262 3.270 20 5 GGBDRO C[NH+](C)CC(C)(C)CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000502088154 567419477 /nfs/dbraw/zinc/41/94/77/567419477.db2.gz BLKLTJFAGMQXAR-UHFFFAOYSA-N 1 0 381.274 3.327 20 5 GGBDRO CC[N@@H+]1CCC[C@@H]1CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000502099257 567419998 /nfs/dbraw/zinc/41/99/98/567419998.db2.gz PLSVQRDBRMYLSG-GFCCVEGCSA-N 1 0 379.258 3.224 20 5 GGBDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000569861003 567437833 /nfs/dbraw/zinc/43/78/33/567437833.db2.gz PDYUDMDXXPQUOL-YGRLFVJLSA-N 1 0 392.237 3.086 20 5 GGBDRO C[C@H]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593730282 567437959 /nfs/dbraw/zinc/43/79/59/567437959.db2.gz HFAZWXBABGRSAJ-JOYOIKCWSA-N 1 0 396.296 3.040 20 5 GGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2Br)c(F)c1 ZINC000478203520 567442326 /nfs/dbraw/zinc/44/23/26/567442326.db2.gz IYPAMXRAQFXBBV-CYBMUJFWSA-N 1 0 399.216 3.026 20 5 GGBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000594195345 567464859 /nfs/dbraw/zinc/46/48/59/567464859.db2.gz FYYISTBJNDIIRA-HUUCEWRRSA-N 1 0 382.258 3.104 20 5 GGBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1Br ZINC000594195750 567464953 /nfs/dbraw/zinc/46/49/53/567464953.db2.gz ISTVZVQQRCFKDQ-HUUCEWRRSA-N 1 0 382.258 3.104 20 5 GGBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000594195344 567465028 /nfs/dbraw/zinc/46/50/28/567465028.db2.gz FYYISTBJNDIIRA-GJZGRUSLSA-N 1 0 382.258 3.104 20 5 GGBDRO Cc1c(Br)cccc1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000594570736 567486622 /nfs/dbraw/zinc/48/66/22/567486622.db2.gz YWQOMTPOHLBRCJ-CQSZACIVSA-N 1 0 395.253 3.195 20 5 GGBDRO CCC[C@]1([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCOC1 ZINC000570487825 567489522 /nfs/dbraw/zinc/48/95/22/567489522.db2.gz XREJOOCMLRSHOU-AWEZNQCLSA-N 1 0 390.221 3.248 20 5 GGBDRO O=[N+]([O-])c1cc(I)ccc1OCC[NH+]1CCCCC1 ZINC000479173498 567512605 /nfs/dbraw/zinc/51/26/05/567512605.db2.gz SVYNNBOSGRVSCD-UHFFFAOYSA-N 1 0 376.194 3.064 20 5 GGBDRO CC(C)(C)OCCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000594974377 567530382 /nfs/dbraw/zinc/53/03/82/567530382.db2.gz JHICUMFDHQJHQI-UHFFFAOYSA-N 1 0 392.237 3.494 20 5 GGBDRO Cc1c(Br)cc(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000458187130 567530523 /nfs/dbraw/zinc/53/05/23/567530523.db2.gz HYIWMKIHLXZCLH-LBPRGKRZSA-N 1 0 384.274 3.127 20 5 GGBDRO C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000594960746 567531188 /nfs/dbraw/zinc/53/11/88/567531188.db2.gz KODNXWRRQPVJON-VAZLSXMYSA-N 1 0 379.507 3.498 20 5 GGBDRO [NH3+][C@H]1CCc2nc(NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])sc2C1 ZINC000571566994 567571490 /nfs/dbraw/zinc/57/14/90/567571490.db2.gz VLAKKEVUGTUZAR-VIFPVBQESA-N 1 0 398.897 3.252 20 5 GGBDRO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@H](CO)Cc1ccccc1 ZINC000595591046 567572944 /nfs/dbraw/zinc/57/29/44/567572944.db2.gz CIKUIIRQVYNNDB-INIZCTEOSA-N 1 0 379.254 3.393 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000552337684 567578731 /nfs/dbraw/zinc/57/87/31/567578731.db2.gz XQAHDRLFHJGDJB-BXUZGUMPSA-N 1 0 396.285 3.365 20 5 GGBDRO Cn1c(Sc2c(Br)cccc2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000596132060 567611163 /nfs/dbraw/zinc/61/11/63/567611163.db2.gz SPWUNFYNJKBNCW-SECBINFHSA-N 1 0 398.286 3.104 20 5 GGBDRO O=[N+]([O-])c1cncc(Cl)c1Sc1nnc([C@H]2CCC[NH2+]C2)n1C1CC1 ZINC000596131300 567611340 /nfs/dbraw/zinc/61/13/40/567611340.db2.gz LIWQVOBFALJAGA-VIFPVBQESA-N 1 0 380.861 3.188 20 5 GGBDRO O=[N+]([O-])c1cccc(Br)c1N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000596293967 567621461 /nfs/dbraw/zinc/62/14/61/567621461.db2.gz FAPIXVZEUVUXIK-ZDUSSCGKSA-N 1 0 384.274 3.048 20 5 GGBDRO Cc1cc(NCCN2CC[N@@H+](C)C(C)(C)C2)c(Br)cc1[N+](=O)[O-] ZINC000440648719 567637273 /nfs/dbraw/zinc/63/72/73/567637273.db2.gz KHAUWZLCHCZFRI-UHFFFAOYSA-N 1 0 385.306 3.104 20 5 GGBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000531188510 567645176 /nfs/dbraw/zinc/64/51/76/567645176.db2.gz BAAAOIMHPQDZNK-UHFFFAOYSA-N 1 0 384.274 3.304 20 5 GGBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000507081867 567658090 /nfs/dbraw/zinc/65/80/90/567658090.db2.gz BVFQJVAIEMMBGA-ZBFHGGJFSA-N 1 0 383.539 3.215 20 5 GGBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2C[C@H]2c2cccc(Cl)c2)cc1 ZINC000572714490 567659996 /nfs/dbraw/zinc/65/99/96/567659996.db2.gz MLCHGBTXJWTFHK-DLBZAZTESA-N 1 0 380.853 3.168 20 5 GGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000572834933 567669677 /nfs/dbraw/zinc/66/96/77/567669677.db2.gz IOAHPPFMHUXNJH-AWEZNQCLSA-N 1 0 385.247 3.474 20 5 GGBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000507279423 567673019 /nfs/dbraw/zinc/67/30/19/567673019.db2.gz MCRBHXUFSHZPGQ-LBPRGKRZSA-N 1 0 389.905 3.037 20 5 GGBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000507279421 567673175 /nfs/dbraw/zinc/67/31/75/567673175.db2.gz MCRBHXUFSHZPGQ-GFCCVEGCSA-N 1 0 389.905 3.037 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](O)C(F)F)o2)c(Br)c1 ZINC000553855718 567692107 /nfs/dbraw/zinc/69/21/07/567692107.db2.gz XPEFDOVJRORQHF-LBPRGKRZSA-N 1 0 391.168 3.333 20 5 GGBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000553917114 567700249 /nfs/dbraw/zinc/70/02/49/567700249.db2.gz OOXZHNDMBKHKSA-UHFFFAOYSA-N 1 0 395.257 3.270 20 5 GGBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000597605005 567707330 /nfs/dbraw/zinc/70/73/30/567707330.db2.gz MJAOWMJDGQGNQC-CYBMUJFWSA-N 1 0 384.274 3.222 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000597710449 567712799 /nfs/dbraw/zinc/71/27/99/567712799.db2.gz MKIGARQAIZCMQA-QGZVFWFLSA-N 1 0 396.285 3.224 20 5 GGBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000597860274 567720642 /nfs/dbraw/zinc/72/06/42/567720642.db2.gz MXEVPEVJGVEYMY-LBPRGKRZSA-N 1 0 398.301 3.136 20 5 GGBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000597860273 567720902 /nfs/dbraw/zinc/72/09/02/567720902.db2.gz MXEVPEVJGVEYMY-GFCCVEGCSA-N 1 0 398.301 3.136 20 5 GGBDRO Cc1cc(NC(=O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2)ccc1Br ZINC000554387172 567725922 /nfs/dbraw/zinc/72/59/22/567725922.db2.gz NWHXBCMFOMMURM-UHFFFAOYSA-N 1 0 378.226 3.394 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597924451 567726528 /nfs/dbraw/zinc/72/65/28/567726528.db2.gz RVTAYNSLQRYLBN-LLVKDONJSA-N 1 0 384.274 3.268 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCSc1ccc(Cl)cc1 ZINC000573712924 567731160 /nfs/dbraw/zinc/73/11/60/567731160.db2.gz MEBGJQGASHXKTJ-AWEZNQCLSA-N 1 0 382.869 3.370 20 5 GGBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000508214705 567737824 /nfs/dbraw/zinc/73/78/24/567737824.db2.gz FWGQSNJFSZKUEJ-UHFFFAOYSA-N 1 0 384.274 3.305 20 5 GGBDRO CC(C)O[C@@H]1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000573917040 567743732 /nfs/dbraw/zinc/74/37/32/567743732.db2.gz KQUYUCHNEQFORH-CQSZACIVSA-N 1 0 390.221 3.199 20 5 GGBDRO CNC(=O)[C@H](CCSC)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000554726602 567745656 /nfs/dbraw/zinc/74/56/56/567745656.db2.gz RMSQTPVAPZMMQX-HNNXBMFYSA-N 1 0 379.507 3.281 20 5 GGBDRO CSCCC[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000573965623 567747570 /nfs/dbraw/zinc/74/75/70/567747570.db2.gz YJQVCJJQQJUMCO-UHFFFAOYSA-N 1 0 380.251 3.384 20 5 GGBDRO CC[NH+](CC)CCN(CCC(F)(F)F)c1nc2sccn2c1[N+](=O)[O-] ZINC000533173791 567756145 /nfs/dbraw/zinc/75/61/45/567756145.db2.gz QJDUHVUQRXOLAE-UHFFFAOYSA-N 1 0 379.408 3.405 20 5 GGBDRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1ccc([N+](=O)[O-])cc1Br ZINC000598543667 567774689 /nfs/dbraw/zinc/77/46/89/567774689.db2.gz WJRQPBZWOWJASY-UHFFFAOYSA-N 1 0 396.285 3.209 20 5 GGBDRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000598558034 567777084 /nfs/dbraw/zinc/77/70/84/567777084.db2.gz BPMBDHJGKHBPKA-CYBMUJFWSA-N 1 0 396.285 3.209 20 5 GGBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCO1 ZINC000574488827 567780669 /nfs/dbraw/zinc/78/06/69/567780669.db2.gz JMMCVYWSKSGXMY-MNOVXSKESA-N 1 0 390.221 3.104 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])c1cccs1 ZINC000598968286 567801091 /nfs/dbraw/zinc/80/10/91/567801091.db2.gz WIEFUCNBXFREMA-LBPRGKRZSA-N 1 0 398.282 3.452 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])c1ccsc1 ZINC000599035678 567803676 /nfs/dbraw/zinc/80/36/76/567803676.db2.gz MDYJRIXMDLSSDH-ZDUSSCGKSA-N 1 0 398.282 3.452 20 5 GGBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cc(F)c(Br)cc1F ZINC000599042024 567803807 /nfs/dbraw/zinc/80/38/07/567803807.db2.gz RECVKMUTKGAJSJ-MRVPVSSYSA-N 1 0 375.173 3.183 20 5 GGBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599076664 567804512 /nfs/dbraw/zinc/80/45/12/567804512.db2.gz DDVQYVKULNDPLS-STQMWFEESA-N 1 0 398.301 3.455 20 5 GGBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599220937 567810888 /nfs/dbraw/zinc/81/08/88/567810888.db2.gz VCXXWKHXXXLYNF-LBPRGKRZSA-N 1 0 384.274 3.208 20 5 GGBDRO COc1ccc([C@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)[NH+]2CCCCC2)cc1 ZINC000005689750 570811300 /nfs/dbraw/zinc/81/13/00/570811300.db2.gz MAEJNZDTQSSYQV-FQEVSTJZSA-N 1 0 398.463 3.143 20 5 GGBDRO CC(=O)c1ccc(NCCN2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000012509025 570824143 /nfs/dbraw/zinc/82/41/43/570824143.db2.gz WFJTYORYMAWRMI-UHFFFAOYSA-N 1 0 382.464 3.027 20 5 GGBDRO CC(C)[C@@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC000012545867 570846967 /nfs/dbraw/zinc/84/69/67/570846967.db2.gz SJMYEDBFBUWZFN-GOSISDBHSA-N 1 0 383.514 3.311 20 5 GGBDRO C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)[C@H]1c1cccs1 ZINC000821623548 599582028 /nfs/dbraw/zinc/58/20/28/599582028.db2.gz NCZVLAJGKNPUCU-SJCJKPOMSA-N 1 0 399.480 3.331 20 5 GGBDRO CC(C)[NH+](CCCNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)C(C)C ZINC000820117095 606036702 /nfs/dbraw/zinc/03/67/02/606036702.db2.gz UVCMFNYQUNFLGI-UHFFFAOYSA-N 1 0 398.471 3.244 20 5 GGBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccccc1 ZINC000820668577 606199585 /nfs/dbraw/zinc/19/95/85/606199585.db2.gz VANMCHRRSUWSHZ-GOEBONIOSA-N 1 0 393.451 3.240 20 5 GGBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820419869 607089627 /nfs/dbraw/zinc/08/96/27/607089627.db2.gz KZSMKTIDDBCDTF-AWEZNQCLSA-N 1 0 393.451 3.095 20 5 GGBDRO O=[N+]([O-])c1cccc(C[N@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C2CC2)c1 ZINC000823647246 607177011 /nfs/dbraw/zinc/17/70/11/607177011.db2.gz ISQHHPAEVHCIBI-UHFFFAOYSA-N 1 0 394.435 3.208 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000826500186 607817297 /nfs/dbraw/zinc/81/72/97/607817297.db2.gz NWAAUFOUCOHMDF-SCLBCKFNSA-N 1 0 396.426 3.415 20 5 GGBDRO O=[N+]([O-])c1ccccc1C=CC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000826500391 608519833 /nfs/dbraw/zinc/51/98/33/608519833.db2.gz WXKDKSWDPHPHDQ-HWKANZROSA-N 1 0 376.420 3.453 20 5 GGBDRO C[C@H](Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824647624 609432547 /nfs/dbraw/zinc/43/25/47/609432547.db2.gz ABAYVNWYDDPFBQ-YOEHRIQHSA-N 1 0 393.451 3.097 20 5 GGBDRO CC1CCC([N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C2CC2)CC1 ZINC000053170412 1406313783 /nfs/dbraw/zinc/31/37/83/1406313783.db2.gz MZIITVMNGGNVBF-UHFFFAOYSA-N 1 0 375.425 3.305 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000053369767 1406379998 /nfs/dbraw/zinc/37/99/98/1406379998.db2.gz NZYGAKKDGZDRFY-INIZCTEOSA-N 1 0 385.468 3.165 20 5 GGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000053417332 1406389288 /nfs/dbraw/zinc/38/92/88/1406389288.db2.gz AAEHDMCBHBXAGT-IAGOWNOFSA-N 1 0 376.501 3.271 20 5 GGBDRO Cn1cc(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053503803 1406417759 /nfs/dbraw/zinc/41/77/59/1406417759.db2.gz DLFHKXFTGKECSB-IBGZPJMESA-N 1 0 399.495 3.236 20 5 GGBDRO CNC(=O)c1ccc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000053574160 1406449014 /nfs/dbraw/zinc/44/90/14/1406449014.db2.gz XWEBHGDATRSQIM-UHFFFAOYSA-N 1 0 386.427 3.170 20 5 GGBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000053811673 1406520409 /nfs/dbraw/zinc/52/04/09/1406520409.db2.gz BVJKOYZCGXWVKD-MRXNPFEDSA-N 1 0 399.495 3.237 20 5 GGBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000053812672 1406521748 /nfs/dbraw/zinc/52/17/48/1406521748.db2.gz TWAASDTZOPUHBQ-HOTGVXAUSA-N 1 0 399.495 3.093 20 5 GGBDRO COc1ccccc1[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCCC1 ZINC000054059347 1406606088 /nfs/dbraw/zinc/60/60/88/1406606088.db2.gz ILVWFVGHBJSDNS-GOSISDBHSA-N 1 0 387.411 3.309 20 5 GGBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])NCc1ccccc1C[NH+]1CCCC1 ZINC000054092951 1406614916 /nfs/dbraw/zinc/61/49/16/1406614916.db2.gz MFCWEONEVVFDMO-UHFFFAOYSA-N 1 0 397.479 3.102 20 5 GGBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000054223730 1406657157 /nfs/dbraw/zinc/65/71/57/1406657157.db2.gz BTNAZULRJVLFED-ZFWWWQNUSA-N 1 0 379.420 3.036 20 5 GGBDRO C[N@H+](CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000054281590 1406677287 /nfs/dbraw/zinc/67/72/87/1406677287.db2.gz BUCQDSIQEYFMTC-UHFFFAOYSA-N 1 0 382.464 3.057 20 5 GGBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000054286407 1406680792 /nfs/dbraw/zinc/68/07/92/1406680792.db2.gz XXUMQKWNVUIASL-OAHLLOKOSA-N 1 0 385.468 3.021 20 5 GGBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000054287234 1406681662 /nfs/dbraw/zinc/68/16/62/1406681662.db2.gz WUSZBKQSUGMIJT-OAHLLOKOSA-N 1 0 399.495 3.236 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000054318693 1406689606 /nfs/dbraw/zinc/68/96/06/1406689606.db2.gz OXLJIJAONJIENE-UHFFFAOYSA-N 1 0 388.512 3.430 20 5 GGBDRO Cc1ccc(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000054573734 1406772274 /nfs/dbraw/zinc/77/22/74/1406772274.db2.gz PTJQTZFDTQWURH-UHFFFAOYSA-N 1 0 396.491 3.235 20 5 GGBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000054645690 1406795002 /nfs/dbraw/zinc/79/50/02/1406795002.db2.gz WXZYUDJSJUPLPQ-KRWDZBQOSA-N 1 0 388.493 3.335 20 5 GGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000054646728 1406795026 /nfs/dbraw/zinc/79/50/26/1406795026.db2.gz IGTPSPAKKIQMMG-CALCHBBNSA-N 1 0 376.501 3.195 20 5 GGBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000054718268 1406812260 /nfs/dbraw/zinc/81/22/60/1406812260.db2.gz BBHSJZBDCAQTTJ-APWZRJJASA-N 1 0 397.479 3.141 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(COc3ccccc3)CC2)c1 ZINC000055082178 1406882321 /nfs/dbraw/zinc/88/23/21/1406882321.db2.gz SATZCNVEYJRDDG-LJQANCHMSA-N 1 0 386.448 3.126 20 5 GGBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000055095843 1406883589 /nfs/dbraw/zinc/88/35/89/1406883589.db2.gz OLIALJQXGIUTLN-UHFFFAOYSA-N 1 0 383.448 3.098 20 5 GGBDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)COc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000055207541 1406902216 /nfs/dbraw/zinc/90/22/16/1406902216.db2.gz INZVFPLTPCNKES-UHFFFAOYSA-N 1 0 383.448 3.017 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000055245555 1406911760 /nfs/dbraw/zinc/91/17/60/1406911760.db2.gz XLRMMLVTXFFCBI-UHFFFAOYSA-N 1 0 395.525 3.180 20 5 GGBDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000055325771 1406930484 /nfs/dbraw/zinc/93/04/84/1406930484.db2.gz RRGRZRHLTGQIET-UHFFFAOYSA-N 1 0 397.475 3.407 20 5 GGBDRO COc1cccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)[NH+](C)C)c1 ZINC000007684541 1398728125 /nfs/dbraw/zinc/72/81/25/1398728125.db2.gz RNMBHODFDAQIRJ-QGZVFWFLSA-N 1 0 377.828 3.290 20 5 GGBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000007945748 1398779571 /nfs/dbraw/zinc/77/95/71/1398779571.db2.gz VIZLHKQOAWNUCI-UHFFFAOYSA-N 1 0 399.447 3.153 20 5 GGBDRO Cc1c(Cl)cc(S(=O)(=O)NCc2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000008060083 1398798120 /nfs/dbraw/zinc/79/81/20/1398798120.db2.gz JDCNKJOFBQFIBP-UHFFFAOYSA-N 1 0 397.884 3.097 20 5 GGBDRO CCC[NH+]1CCC(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)CC1 ZINC000008157552 1398809163 /nfs/dbraw/zinc/80/91/63/1398809163.db2.gz HHEBFHJTFMTOBH-UHFFFAOYSA-N 1 0 399.495 3.061 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000008169805 1398810359 /nfs/dbraw/zinc/81/03/59/1398810359.db2.gz JKNAJAQDXFXPEJ-KRWDZBQOSA-N 1 0 388.512 3.192 20 5 GGBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000009917166 1398870280 /nfs/dbraw/zinc/87/02/80/1398870280.db2.gz PAPQDVPZTFHLCV-UHFFFAOYSA-N 1 0 382.464 3.187 20 5 GGBDRO C[N@H+](CCCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000009919861 1398870842 /nfs/dbraw/zinc/87/08/42/1398870842.db2.gz DSGJYUSFULYZOB-UHFFFAOYSA-N 1 0 382.464 3.421 20 5 GGBDRO Cc1c(C(=O)NCCC[N@@H+](C)Cc2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000009982470 1398872349 /nfs/dbraw/zinc/87/23/49/1398872349.db2.gz ACDZZJXRKWASSA-UHFFFAOYSA-N 1 0 386.408 3.063 20 5 GGBDRO O=[N+]([O-])c1cc(CN2CCC[N@H+](Cc3ccccc3)CC2)c2c(c1)COCO2 ZINC000009986660 1398872784 /nfs/dbraw/zinc/87/27/84/1398872784.db2.gz VIBHIXOWGUYYHX-UHFFFAOYSA-N 1 0 383.448 3.169 20 5 GGBDRO O=C(C[N@@H+]1CCC[C@@H]1c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000010340295 1398887398 /nfs/dbraw/zinc/88/73/98/1398887398.db2.gz ZRJGPZFLZBZUOQ-OAQYLSRUSA-N 1 0 394.475 3.081 20 5 GGBDRO O=C(COc1ccccc1[N+](=O)[O-])NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000010456640 1398894034 /nfs/dbraw/zinc/89/40/34/1398894034.db2.gz DDPZQTSXPAQCNA-UHFFFAOYSA-N 1 0 383.448 3.276 20 5 GGBDRO C[NH+]1CCN(c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cn2)CC1 ZINC000014520709 1399108845 /nfs/dbraw/zinc/10/88/45/1399108845.db2.gz JLXJGFLCOXMPPB-UHFFFAOYSA-N 1 0 397.460 3.209 20 5 GGBDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000014739082 1399117815 /nfs/dbraw/zinc/11/78/15/1399117815.db2.gz BRDYZLQPYFVVHD-UHFFFAOYSA-N 1 0 398.463 3.227 20 5 GGBDRO CC[NH+](CC)Cc1ccccc1CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000015141673 1399142237 /nfs/dbraw/zinc/14/22/37/1399142237.db2.gz JTRGITOQDBSUOG-UHFFFAOYSA-N 1 0 391.493 3.452 20 5 GGBDRO COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)[NH+]2CCCC2)cc1 ZINC000015387703 1399160234 /nfs/dbraw/zinc/16/02/34/1399160234.db2.gz KHDDYMJEIUEPQW-HXUWFJFHSA-N 1 0 383.448 3.479 20 5 GGBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000016110043 1399211120 /nfs/dbraw/zinc/21/11/20/1399211120.db2.gz VAKOVTHYVPLXFM-UHFFFAOYSA-N 1 0 399.447 3.138 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000016259072 1399224798 /nfs/dbraw/zinc/22/47/98/1399224798.db2.gz ZLPOPXXVKSPZTC-GOSISDBHSA-N 1 0 382.464 3.072 20 5 GGBDRO O=C(COC(=O)c1ccc(C[NH+]2CCCCC2)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000016402057 1399237907 /nfs/dbraw/zinc/23/79/07/1399237907.db2.gz RASWXEINEMKMAS-UHFFFAOYSA-N 1 0 397.431 3.376 20 5 GGBDRO CCOc1cc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000016599684 1399252152 /nfs/dbraw/zinc/25/21/52/1399252152.db2.gz QDCCIHGCMVUEFP-QGZVFWFLSA-N 1 0 387.436 3.035 20 5 GGBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000017362951 1399281703 /nfs/dbraw/zinc/28/17/03/1399281703.db2.gz QJTUBKHLZWZBMF-UHFFFAOYSA-N 1 0 398.419 3.206 20 5 GGBDRO CNc1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000017911405 1399294234 /nfs/dbraw/zinc/29/42/34/1399294234.db2.gz DXMDJQDCQXDXTE-FQEVSTJZSA-N 1 0 398.463 3.212 20 5 GGBDRO COc1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2C)[NH+]2CCCC2)cc1 ZINC000017911592 1399295013 /nfs/dbraw/zinc/29/50/13/1399295013.db2.gz IOODEYMTSSHZKE-HXUWFJFHSA-N 1 0 383.448 3.479 20 5 GGBDRO COc1ccc([C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000017911606 1399295108 /nfs/dbraw/zinc/29/51/08/1399295108.db2.gz JGQFRAQQHPGAHA-HXUWFJFHSA-N 1 0 383.448 3.099 20 5 GGBDRO NC(=O)c1ccc(N2CC[NH+](Cc3cccc4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC000018060342 1399298684 /nfs/dbraw/zinc/29/86/84/1399298684.db2.gz KZTDYAANTRXGAM-UHFFFAOYSA-N 1 0 390.443 3.169 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000022682050 1399490445 /nfs/dbraw/zinc/49/04/45/1399490445.db2.gz WEACRODCUBHZCF-IBGZPJMESA-N 1 0 396.491 3.098 20 5 GGBDRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000023015790 1399525564 /nfs/dbraw/zinc/52/55/64/1399525564.db2.gz CDLBTWBPNVFLNM-UHFFFAOYSA-N 1 0 388.855 3.285 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccsc1 ZINC000023133052 1399534341 /nfs/dbraw/zinc/53/43/41/1399534341.db2.gz ANYBDRMWUFXERF-GOSISDBHSA-N 1 0 388.493 3.289 20 5 GGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(NC)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000023172807 1399536882 /nfs/dbraw/zinc/53/68/82/1399536882.db2.gz LCEYLMFXDVUUCF-GOSISDBHSA-N 1 0 384.480 3.319 20 5 GGBDRO CNc1ccc(C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000023712360 1399580895 /nfs/dbraw/zinc/58/08/95/1399580895.db2.gz KEQLSKYMOSVTIU-IBGZPJMESA-N 1 0 398.463 3.212 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000023795077 1399585660 /nfs/dbraw/zinc/58/56/60/1399585660.db2.gz STLBXCLRLQFQAJ-GOSISDBHSA-N 1 0 399.447 3.179 20 5 GGBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000024801887 1399673050 /nfs/dbraw/zinc/67/30/50/1399673050.db2.gz HQFAWAZIRVLBLH-QGZVFWFLSA-N 1 0 377.488 3.145 20 5 GGBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)c(C)c2)CC1 ZINC000025185321 1399766329 /nfs/dbraw/zinc/76/63/29/1399766329.db2.gz FCRVROUSORCVHN-UHFFFAOYSA-N 1 0 398.463 3.306 20 5 GGBDRO CCOc1cc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000025330870 1399800376 /nfs/dbraw/zinc/80/03/76/1399800376.db2.gz JDPUBASGQCCEPU-OAHLLOKOSA-N 1 0 393.465 3.096 20 5 GGBDRO CNc1ccc(C(=O)NC[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000025535312 1399817767 /nfs/dbraw/zinc/81/77/67/1399817767.db2.gz VYFXNMIRFBSJQA-OAQYLSRUSA-N 1 0 396.491 3.449 20 5 GGBDRO C[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000025939598 1399848211 /nfs/dbraw/zinc/84/82/11/1399848211.db2.gz SIHZCLYFCCPWNQ-HNNXBMFYSA-N 1 0 385.489 3.250 20 5 GGBDRO C[C@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000025941283 1399848533 /nfs/dbraw/zinc/84/85/33/1399848533.db2.gz OCIKZOKSEATMED-QGZVFWFLSA-N 1 0 396.491 3.350 20 5 GGBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@H](C)O1 ZINC000025973290 1399850635 /nfs/dbraw/zinc/85/06/35/1399850635.db2.gz OLZKLFTVRFIXCL-BETUJISGSA-N 1 0 377.466 3.039 20 5 GGBDRO COc1ccccc1N1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000026156923 1399864979 /nfs/dbraw/zinc/86/49/79/1399864979.db2.gz PEVMXJUYJNAFTI-UHFFFAOYSA-N 1 0 398.463 3.063 20 5 GGBDRO COc1ccccc1N1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000026156962 1399865082 /nfs/dbraw/zinc/86/50/82/1399865082.db2.gz PFFGNQGYGYTDMG-UHFFFAOYSA-N 1 0 398.463 3.063 20 5 GGBDRO O=C(CC[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000026218706 1399870493 /nfs/dbraw/zinc/87/04/93/1399870493.db2.gz FPCLANPHVCTHGC-UHFFFAOYSA-N 1 0 388.855 3.399 20 5 GGBDRO CCOc1ccc(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000026223072 1399871000 /nfs/dbraw/zinc/87/10/00/1399871000.db2.gz ZYRXPHZBXBDIID-UHFFFAOYSA-N 1 0 387.436 3.463 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000026227873 1399871383 /nfs/dbraw/zinc/87/13/83/1399871383.db2.gz SFWNEZHKMGEWHV-UHFFFAOYSA-N 1 0 385.420 3.135 20 5 GGBDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1F ZINC000026256657 1399874154 /nfs/dbraw/zinc/87/41/54/1399874154.db2.gz YJQJSXILRRVULX-UHFFFAOYSA-N 1 0 391.399 3.212 20 5 GGBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000026300044 1399876945 /nfs/dbraw/zinc/87/69/45/1399876945.db2.gz XRYBKUDEOUYVFG-CRAIPNDOSA-N 1 0 387.505 3.365 20 5 GGBDRO COc1ccc(NC(=O)CC[N@H+](C)CCOc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000026336778 1399879275 /nfs/dbraw/zinc/87/92/75/1399879275.db2.gz NFJYVXPKEAIGOA-UHFFFAOYSA-N 1 0 391.399 3.082 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCOc1ccc(F)cc1 ZINC000026336775 1399879294 /nfs/dbraw/zinc/87/92/94/1399879294.db2.gz QGWJSONBSDQFDU-UHFFFAOYSA-N 1 0 391.399 3.082 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCOc1ccc(F)cc1 ZINC000026336788 1399879321 /nfs/dbraw/zinc/87/93/21/1399879321.db2.gz BYQVVQDTJWZRRV-UHFFFAOYSA-N 1 0 375.400 3.382 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000026715722 1399924706 /nfs/dbraw/zinc/92/47/06/1399924706.db2.gz HTMJYGLXPIAMCT-WMZOPIPTSA-N 1 0 392.477 3.077 20 5 GGBDRO Cc1c(Cl)cc(S(=O)(=O)NCc2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000026854611 1399942550 /nfs/dbraw/zinc/94/25/50/1399942550.db2.gz PIOYPEYYFBHBGP-UHFFFAOYSA-N 1 0 397.884 3.097 20 5 GGBDRO C[NH+]1CCN(c2ccccc2NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000027061060 1399976496 /nfs/dbraw/zinc/97/64/96/1399976496.db2.gz HVPGLTDCGDPVMZ-UHFFFAOYSA-N 1 0 397.479 3.177 20 5 GGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000027087921 1399981146 /nfs/dbraw/zinc/98/11/46/1399981146.db2.gz PRZIGOBBJVQFTG-SFHVURJKSA-N 1 0 386.408 3.316 20 5 GGBDRO CCOc1cc(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000055749255 1407073629 /nfs/dbraw/zinc/07/36/29/1407073629.db2.gz NURSXKZDENDAQE-QLFBSQMISA-N 1 0 393.484 3.098 20 5 GGBDRO Cc1cccc(N2CC[NH+](CCCNC(=O)Nc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000027356014 1400025245 /nfs/dbraw/zinc/02/52/45/1400025245.db2.gz FWOKICFVYDKGKK-UHFFFAOYSA-N 1 0 397.479 3.237 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2nnc(CN3CC[NH+](CCc4ccccc4)CC3)o2)cc1 ZINC000027575635 1400060431 /nfs/dbraw/zinc/06/04/31/1400060431.db2.gz JRRRJHWQCDZEQT-UHFFFAOYSA-N 1 0 393.447 3.005 20 5 GGBDRO CCOc1cc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000027677488 1400075606 /nfs/dbraw/zinc/07/56/06/1400075606.db2.gz MBKZTPVZZDCFLE-CQSZACIVSA-N 1 0 393.465 3.096 20 5 GGBDRO Cc1nn(Cc2ccc(C(=O)N[C@H](C)C[NH+]3CCCCC3)cc2)c(C)c1[N+](=O)[O-] ZINC000027750075 1400086418 /nfs/dbraw/zinc/08/64/18/1400086418.db2.gz HUSOOLHRBGQDET-OAHLLOKOSA-N 1 0 399.495 3.061 20 5 GGBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000028037004 1400120576 /nfs/dbraw/zinc/12/05/76/1400120576.db2.gz KXKKESZCQLPYQH-KRWDZBQOSA-N 1 0 389.477 3.019 20 5 GGBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H](c2cccs2)[NH+](C)C)c1[N+](=O)[O-] ZINC000028619950 1400177775 /nfs/dbraw/zinc/17/77/75/1400177775.db2.gz AAJHFJSGFCSJGK-ZDUSSCGKSA-N 1 0 380.426 3.080 20 5 GGBDRO Cc1ccccc1C[NH+]1CCN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])CC1 ZINC000028740585 1400190970 /nfs/dbraw/zinc/19/09/70/1400190970.db2.gz SEVLOYUNSUHLDV-UHFFFAOYSA-N 1 0 396.491 3.364 20 5 GGBDRO COc1ccccc1[C@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[NH+](C)C ZINC000028749807 1400191584 /nfs/dbraw/zinc/19/15/84/1400191584.db2.gz DYVJMNKBPFMQBP-IBGZPJMESA-N 1 0 398.463 3.210 20 5 GGBDRO CC[NH+]1CCN(c2ccc(NC(=O)COc3cccc([N+](=O)[O-])c3)c(C)c2)CC1 ZINC000028877838 1400206777 /nfs/dbraw/zinc/20/67/77/1400206777.db2.gz PRHHKMGBMNHPDS-UHFFFAOYSA-N 1 0 398.463 3.063 20 5 GGBDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(F)cc1 ZINC000029198567 1400257049 /nfs/dbraw/zinc/25/70/49/1400257049.db2.gz KULBQGGPAYRUIN-LJQANCHMSA-N 1 0 389.383 3.388 20 5 GGBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCN(c3ccccc3)CC2)c2ncccc12 ZINC000029585349 1400318417 /nfs/dbraw/zinc/31/84/17/1400318417.db2.gz AYPJFIBXZZVVNC-UHFFFAOYSA-N 1 0 377.448 3.377 20 5 GGBDRO CC[NH+]1CCC(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000029606000 1400322091 /nfs/dbraw/zinc/32/20/91/1400322091.db2.gz IIJBXJHKYGFELT-UHFFFAOYSA-N 1 0 382.464 3.421 20 5 GGBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c([N+](=O)[O-])c1 ZINC000029827803 1400358852 /nfs/dbraw/zinc/35/88/52/1400358852.db2.gz CMVQYBMKUXPSDM-HNNXBMFYSA-N 1 0 380.404 3.215 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000029828970 1400359235 /nfs/dbraw/zinc/35/92/35/1400359235.db2.gz LVHFVFGOIXTRID-NVXWUHKLSA-N 1 0 397.431 3.355 20 5 GGBDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000029838145 1400360530 /nfs/dbraw/zinc/36/05/30/1400360530.db2.gz MCQDDOWVYBZOSE-UHFFFAOYSA-N 1 0 394.475 3.347 20 5 GGBDRO Cc1c(NC(=O)[C@H](C)N2CC[NH+](CCC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000055933800 1407138911 /nfs/dbraw/zinc/13/89/11/1407138911.db2.gz ZPAAVEBMDGWGKG-INIZCTEOSA-N 1 0 376.501 3.284 20 5 GGBDRO CC(C)(C)CC[NH+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000055936340 1407139687 /nfs/dbraw/zinc/13/96/87/1407139687.db2.gz UFKQBXYDMQCENG-UHFFFAOYSA-N 1 0 382.892 3.241 20 5 GGBDRO C[NH+](C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000055986036 1407159208 /nfs/dbraw/zinc/15/92/08/1407159208.db2.gz DHSSNZXEOXHABM-UHFFFAOYSA-N 1 0 397.884 3.001 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000056196081 1407248032 /nfs/dbraw/zinc/24/80/32/1407248032.db2.gz WUTKOLALIBIZBK-CVEARBPZSA-N 1 0 398.463 3.109 20 5 GGBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000043004413 1403689121 /nfs/dbraw/zinc/68/91/21/1403689121.db2.gz BVQZMWBGKLSZHB-QGZVFWFLSA-N 1 0 388.493 3.289 20 5 GGBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000043086860 1403705071 /nfs/dbraw/zinc/70/50/71/1403705071.db2.gz XWQBHQUFTASIGS-UHFFFAOYSA-N 1 0 381.436 3.241 20 5 GGBDRO C[NH+](C)Cc1cccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000044276927 1403912061 /nfs/dbraw/zinc/91/20/61/1403912061.db2.gz QLYWAHMASHONKM-UHFFFAOYSA-N 1 0 383.452 3.011 20 5 GGBDRO C[NH+](C)Cc1cccc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000044276912 1403912136 /nfs/dbraw/zinc/91/21/36/1403912136.db2.gz PIYNUSFSMNTPCG-UHFFFAOYSA-N 1 0 383.452 3.011 20 5 GGBDRO CC[NH+](CC)Cc1ccc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000044614377 1403963950 /nfs/dbraw/zinc/96/39/50/1403963950.db2.gz IMPOUJNTYVFQMU-UHFFFAOYSA-N 1 0 396.491 3.399 20 5 GGBDRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000044653551 1403975906 /nfs/dbraw/zinc/97/59/06/1403975906.db2.gz WTFSEMALSLLONV-UHFFFAOYSA-N 1 0 393.447 3.387 20 5 GGBDRO COc1ccccc1[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000044867691 1404014541 /nfs/dbraw/zinc/01/45/41/1404014541.db2.gz LXEUFXTZFJNCEG-HNNXBMFYSA-N 1 0 375.450 3.232 20 5 GGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000045465168 1404126722 /nfs/dbraw/zinc/12/67/22/1404126722.db2.gz QATQQNVVUYVIDP-AWEZNQCLSA-N 1 0 385.489 3.493 20 5 GGBDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000045622245 1404164519 /nfs/dbraw/zinc/16/45/19/1404164519.db2.gz PSEFIOLSYMOOKC-UHFFFAOYSA-N 1 0 382.464 3.321 20 5 GGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](C2CCCC2)CC1 ZINC000045753688 1404193911 /nfs/dbraw/zinc/19/39/11/1404193911.db2.gz MNYGIBDEXBLUFC-CYBMUJFWSA-N 1 0 380.876 3.135 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cc1OC ZINC000045775001 1404200413 /nfs/dbraw/zinc/20/04/13/1404200413.db2.gz UPIBWFVSSMXPOF-QGZVFWFLSA-N 1 0 393.484 3.242 20 5 GGBDRO COc1ccc(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1[N+](=O)[O-] ZINC000045832023 1404218088 /nfs/dbraw/zinc/21/80/88/1404218088.db2.gz HTEIVSHCLOUJFP-UHFFFAOYSA-N 1 0 375.469 3.332 20 5 GGBDRO CCOc1cc(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000045830880 1404218455 /nfs/dbraw/zinc/21/84/55/1404218455.db2.gz YKMUFSVMZISQHF-QGZVFWFLSA-N 1 0 393.484 3.242 20 5 GGBDRO CCOc1ccc(C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)cc1[N+](=O)[O-] ZINC000046404295 1404402285 /nfs/dbraw/zinc/40/22/85/1404402285.db2.gz QFRYXDORYMBMJU-UHFFFAOYSA-N 1 0 398.463 3.388 20 5 GGBDRO Cc1cc(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000046623122 1404515981 /nfs/dbraw/zinc/51/59/81/1404515981.db2.gz XSLGELSLQRMJCX-IAGOWNOFSA-N 1 0 397.475 3.442 20 5 GGBDRO Cc1cc(C(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000046623124 1404516381 /nfs/dbraw/zinc/51/63/81/1404516381.db2.gz XSLGELSLQRMJCX-IRXDYDNUSA-N 1 0 397.475 3.442 20 5 GGBDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3)cc2)C[C@@H](C)O1 ZINC000046624198 1404517580 /nfs/dbraw/zinc/51/75/80/1404517580.db2.gz CYCXDITXUQVFSZ-HZPDHXFCSA-N 1 0 383.448 3.134 20 5 GGBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000046762688 1404581678 /nfs/dbraw/zinc/58/16/78/1404581678.db2.gz AGKLNHGAGKNZMI-IRXDYDNUSA-N 1 0 376.501 3.494 20 5 GGBDRO CCOc1ccc(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000046930915 1404638734 /nfs/dbraw/zinc/63/87/34/1404638734.db2.gz RQKWJYABLPBLLG-SFHVURJKSA-N 1 0 387.436 3.035 20 5 GGBDRO CCOc1ccc(C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000046930916 1404638909 /nfs/dbraw/zinc/63/89/09/1404638909.db2.gz RQKWJYABLPBLLG-GOSISDBHSA-N 1 0 387.436 3.035 20 5 GGBDRO C[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[N@@H+]1CCC[C@H](C)C1 ZINC000047119476 1404712931 /nfs/dbraw/zinc/71/29/31/1404712931.db2.gz HDOXYJVTSFWKGJ-ROUUACIJSA-N 1 0 391.515 3.391 20 5 GGBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000047303423 1404796964 /nfs/dbraw/zinc/79/69/64/1404796964.db2.gz NOWZHGOSMZTLNC-UHFFFAOYSA-N 1 0 382.464 3.035 20 5 GGBDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)C[C@@H](C)O1 ZINC000047587761 1404873780 /nfs/dbraw/zinc/87/37/80/1404873780.db2.gz KVUPAZKCJAPQIO-IAGOWNOFSA-N 1 0 397.475 3.063 20 5 GGBDRO Cc1c(C[NH+]2CCC(C(=O)NCCCOC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000047753342 1404924930 /nfs/dbraw/zinc/92/49/30/1404924930.db2.gz UMTCHEWNEVKFPL-UHFFFAOYSA-N 1 0 377.485 3.047 20 5 GGBDRO CC(C)[NH+]1CCC(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000047773208 1404938372 /nfs/dbraw/zinc/93/83/72/1404938372.db2.gz LHRQGSDONLTNLY-UHFFFAOYSA-N 1 0 389.374 3.139 20 5 GGBDRO CC(C)C[NH+]1CCC(NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000047865325 1404977483 /nfs/dbraw/zinc/97/74/83/1404977483.db2.gz PGXUMIZNZILORU-UHFFFAOYSA-N 1 0 386.399 3.438 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1OC ZINC000048267650 1405120468 /nfs/dbraw/zinc/12/04/68/1405120468.db2.gz SKUCERSVQIDJFT-GJZGRUSLSA-N 1 0 393.484 3.100 20 5 GGBDRO COc1cccc([C@@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[NH+](C)C)c1 ZINC000048298864 1405131953 /nfs/dbraw/zinc/13/19/53/1405131953.db2.gz HADJUMBFCKPQKP-GOSISDBHSA-N 1 0 382.420 3.117 20 5 GGBDRO COc1cccc([C@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[NH+](C)C)c1 ZINC000048298861 1405132870 /nfs/dbraw/zinc/13/28/70/1405132870.db2.gz HADJUMBFCKPQKP-SFHVURJKSA-N 1 0 382.420 3.117 20 5 GGBDRO COc1cccc([C@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000049798688 1405419943 /nfs/dbraw/zinc/41/99/43/1405419943.db2.gz QNNMHBCNLDUWQT-IBGZPJMESA-N 1 0 386.452 3.048 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CC[NH+](CC4CCCCC4)CC3)n2)c1 ZINC000049981946 1405440538 /nfs/dbraw/zinc/44/05/38/1405440538.db2.gz SKBFTFRVONYODX-UHFFFAOYSA-N 1 0 385.468 3.343 20 5 GGBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000050029938 1405457707 /nfs/dbraw/zinc/45/77/07/1405457707.db2.gz YTVRBDCWAPVYFY-SFHVURJKSA-N 1 0 382.464 3.035 20 5 GGBDRO COc1ccc(C[N@@H+]2CCCN(Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)cc1 ZINC000051378371 1405800860 /nfs/dbraw/zinc/80/08/60/1405800860.db2.gz VUUPTVKZTMXGBQ-UHFFFAOYSA-N 1 0 385.464 3.320 20 5 GGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000052282707 1406008415 /nfs/dbraw/zinc/00/84/15/1406008415.db2.gz NYQQWOAFCORQBM-HUUCEWRRSA-N 1 0 383.514 3.168 20 5 GGBDRO C[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000056849071 1407454909 /nfs/dbraw/zinc/45/49/09/1407454909.db2.gz QUQAFZZEUAWSCJ-CQSZACIVSA-N 1 0 378.432 3.253 20 5 GGBDRO C[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[N@@H+]1CCc2ccccc2C1 ZINC000056849124 1407455023 /nfs/dbraw/zinc/45/50/23/1407455023.db2.gz HSBSSLCBLRCUFV-CQSZACIVSA-N 1 0 378.432 3.253 20 5 GGBDRO NC(=O)c1ccc(C[NH+]2CCC(c3nc4ccccc4o3)CC2)c([N+](=O)[O-])c1 ZINC000057358873 1407595343 /nfs/dbraw/zinc/59/53/43/1407595343.db2.gz HOPRIAVJXXPMCA-UHFFFAOYSA-N 1 0 380.404 3.215 20 5 GGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCOc3ccccc3)CC2)c2ccncc21 ZINC000057503412 1407639119 /nfs/dbraw/zinc/63/91/19/1407639119.db2.gz CHOBJUPTRLUVKC-UHFFFAOYSA-N 1 0 378.432 3.344 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000057554146 1407648430 /nfs/dbraw/zinc/64/84/30/1407648430.db2.gz OOFAGCMDHMUDNQ-AWEZNQCLSA-N 1 0 397.431 3.362 20 5 GGBDRO Cc1ccc(S(=O)(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000057704707 1407693228 /nfs/dbraw/zinc/69/32/28/1407693228.db2.gz HDXPJILFJPDZAL-LJQANCHMSA-N 1 0 389.477 3.019 20 5 GGBDRO CC[N@H+](C)Cc1cccc(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000058166323 1407792294 /nfs/dbraw/zinc/79/22/94/1407792294.db2.gz HBTSKMCWOLLRIE-UHFFFAOYSA-N 1 0 377.466 3.062 20 5 GGBDRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000058259948 1407803425 /nfs/dbraw/zinc/80/34/25/1407803425.db2.gz MHEJERZZMRNPJR-UHFFFAOYSA-N 1 0 377.466 3.307 20 5 GGBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1 ZINC000058276811 1407805775 /nfs/dbraw/zinc/80/57/75/1407805775.db2.gz PLUSXFMZYFFXFZ-QGZVFWFLSA-N 1 0 388.512 3.293 20 5 GGBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000058297029 1407808482 /nfs/dbraw/zinc/80/84/82/1407808482.db2.gz OKOZLCBNQWSMKU-QGZVFWFLSA-N 1 0 388.512 3.437 20 5 GGBDRO C[N@H+](CCCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000058489039 1407835754 /nfs/dbraw/zinc/83/57/54/1407835754.db2.gz LLAHKOGVXROXKQ-UHFFFAOYSA-N 1 0 382.464 3.421 20 5 GGBDRO CC(C)[N@H+](C)CC1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000058861217 1407890671 /nfs/dbraw/zinc/89/06/71/1407890671.db2.gz PMFMUELRZHNIKT-UHFFFAOYSA-N 1 0 376.501 3.366 20 5 GGBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058881859 1407893562 /nfs/dbraw/zinc/89/35/62/1407893562.db2.gz JOCCPLCKBYBUOF-UHFFFAOYSA-N 1 0 375.469 3.088 20 5 GGBDRO CCOc1ccc(C(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000058882622 1407894034 /nfs/dbraw/zinc/89/40/34/1407894034.db2.gz UOYHKKDFKPHUIT-HLLBOEOZSA-N 1 0 375.469 3.471 20 5 GGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000058882501 1407894210 /nfs/dbraw/zinc/89/42/10/1407894210.db2.gz UGECAGJMZIMUGL-IXDOHACOSA-N 1 0 375.469 3.228 20 5 GGBDRO C[NH+]1CCN(Cc2ccc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)cc2)CC1 ZINC000058889326 1407894987 /nfs/dbraw/zinc/89/49/87/1407894987.db2.gz POTSRKQLBRLWMA-UHFFFAOYSA-N 1 0 393.447 3.076 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1OC ZINC000058936305 1407901540 /nfs/dbraw/zinc/90/15/40/1407901540.db2.gz LROYUVLGRAPHBZ-UHFFFAOYSA-N 1 0 391.468 3.093 20 5 GGBDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058991002 1407909078 /nfs/dbraw/zinc/90/90/78/1407909078.db2.gz DGXHLCYVEQQYGO-UHFFFAOYSA-N 1 0 384.411 3.419 20 5 GGBDRO CC1CC[NH+](CCCNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC1 ZINC000060159940 1407944252 /nfs/dbraw/zinc/94/42/52/1407944252.db2.gz IERZNJMEHZLSNG-UHFFFAOYSA-N 1 0 385.468 3.093 20 5 GGBDRO CCCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000060351757 1407957765 /nfs/dbraw/zinc/95/77/65/1407957765.db2.gz HBPZDTBXJMJGAY-LJQANCHMSA-N 1 0 399.495 3.003 20 5 GGBDRO CCCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000060351758 1407957831 /nfs/dbraw/zinc/95/78/31/1407957831.db2.gz HBPZDTBXJMJGAY-IBGZPJMESA-N 1 0 399.495 3.003 20 5 GGBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCC[N@@H+](C)C2CCCCC2)cc1C ZINC000060442487 1407978253 /nfs/dbraw/zinc/97/82/53/1407978253.db2.gz DHDBSKWKSCFRCC-UHFFFAOYSA-N 1 0 383.514 3.145 20 5 GGBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000060453282 1407980880 /nfs/dbraw/zinc/98/08/80/1407980880.db2.gz VEKAGDDFRQQUQW-OAHLLOKOSA-N 1 0 387.484 3.236 20 5 GGBDRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000060499669 1407991692 /nfs/dbraw/zinc/99/16/92/1407991692.db2.gz MQFUGPGFAUUBDU-UHFFFAOYSA-N 1 0 385.530 3.200 20 5 GGBDRO COc1ccc(C[NH2+]CCn2ccnc2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061014667 1408065099 /nfs/dbraw/zinc/06/50/99/1408065099.db2.gz TZHHFCOLVRDYAG-UHFFFAOYSA-N 1 0 382.420 3.169 20 5 GGBDRO O=C(NCc1ccccc1[N+](=O)[O-])NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061021353 1408066456 /nfs/dbraw/zinc/06/64/56/1408066456.db2.gz PANGKYQYFIVDFI-UHFFFAOYSA-N 1 0 388.493 3.368 20 5 GGBDRO CCC[NH+]1CCC(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 ZINC000061031044 1408068141 /nfs/dbraw/zinc/06/81/41/1408068141.db2.gz GASPTBYJCGNSCJ-UHFFFAOYSA-N 1 0 388.512 3.435 20 5 GGBDRO COc1ccc(C[NH2+]CCN2CCCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061030875 1408068259 /nfs/dbraw/zinc/06/82/59/1408068259.db2.gz PHSHROMKDUHIMB-UHFFFAOYSA-N 1 0 385.464 3.368 20 5 GGBDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)cc2)CC1 ZINC000061135977 1408080808 /nfs/dbraw/zinc/08/08/08/1408080808.db2.gz RJHNFLRBSGPASG-UHFFFAOYSA-N 1 0 394.475 3.328 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1 ZINC000061285696 1408101581 /nfs/dbraw/zinc/10/15/81/1408101581.db2.gz XWINJAVMJIZQKJ-UHFFFAOYSA-N 1 0 387.461 3.405 20 5 GGBDRO COCCC[NH+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000061308696 1408104480 /nfs/dbraw/zinc/10/44/80/1408104480.db2.gz WLCJFKRIZRXLEA-UHFFFAOYSA-N 1 0 375.494 3.477 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000061495441 1408137044 /nfs/dbraw/zinc/13/70/44/1408137044.db2.gz DXTBPCWDIKJEJQ-INIZCTEOSA-N 1 0 376.482 3.268 20 5 GGBDRO Cc1ccc([C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)[NH+]2CCCC2)cc1 ZINC000061502571 1408138744 /nfs/dbraw/zinc/13/87/44/1408138744.db2.gz PVCRSPKOZWYQHO-GOSISDBHSA-N 1 0 386.427 3.191 20 5 GGBDRO CCNC(=O)[C@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000061556571 1408146689 /nfs/dbraw/zinc/14/66/89/1408146689.db2.gz MKCBBILXBRZNKP-HNNXBMFYSA-N 1 0 393.447 3.062 20 5 GGBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c1 ZINC000061622530 1408154604 /nfs/dbraw/zinc/15/46/04/1408154604.db2.gz PVTWXFFEESPBAJ-UHFFFAOYSA-N 1 0 386.408 3.193 20 5 GGBDRO COc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000062231531 1408221732 /nfs/dbraw/zinc/22/17/32/1408221732.db2.gz GZEWHSHURJVETK-QGZVFWFLSA-N 1 0 383.448 3.245 20 5 GGBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000062229796 1408222232 /nfs/dbraw/zinc/22/22/32/1408222232.db2.gz LHFMVUJEPLOGJM-LJQANCHMSA-N 1 0 397.475 3.392 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063080950 1408301876 /nfs/dbraw/zinc/30/18/76/1408301876.db2.gz YHTKYFHILQUASM-UHFFFAOYSA-N 1 0 383.448 3.245 20 5 GGBDRO COc1ccc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000063081404 1408302087 /nfs/dbraw/zinc/30/20/87/1408302087.db2.gz FOALEVMIDAZQQN-UHFFFAOYSA-N 1 0 383.448 3.245 20 5 GGBDRO COc1ccc(C[NH+]2CCC(CNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000063263789 1408326298 /nfs/dbraw/zinc/32/62/98/1408326298.db2.gz AVDLMJZFULVYOP-UHFFFAOYSA-N 1 0 383.448 3.245 20 5 GGBDRO COc1ccc(C(=O)N(CCCc2ccccc2)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000063485936 1408362950 /nfs/dbraw/zinc/36/29/50/1408362950.db2.gz MZYHCBHKXYJDJD-UHFFFAOYSA-N 1 0 385.464 3.240 20 5 GGBDRO Cc1ccccc1C[N@@H+]1CCCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000063498002 1408364339 /nfs/dbraw/zinc/36/43/39/1408364339.db2.gz LYBVKWXEHSGBGT-UHFFFAOYSA-N 1 0 396.491 3.358 20 5 GGBDRO Cc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C(C)C)cc2)cc1[N+](=O)[O-] ZINC000063526167 1408367259 /nfs/dbraw/zinc/36/72/59/1408367259.db2.gz SIMIKYSVZZBQLA-UHFFFAOYSA-N 1 0 391.493 3.222 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC000063684639 1408391586 /nfs/dbraw/zinc/39/15/86/1408391586.db2.gz VRRGUESFHIBIDX-INIZCTEOSA-N 1 0 377.466 3.153 20 5 GGBDRO COc1ccc(CSCC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000063693451 1408392608 /nfs/dbraw/zinc/39/26/08/1408392608.db2.gz HCDADRWPCWRJRJ-MRXNPFEDSA-N 1 0 395.525 3.073 20 5 GGBDRO COc1ccc(CSCC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000063723013 1408397042 /nfs/dbraw/zinc/39/70/42/1408397042.db2.gz IAJSHQHNAPJDEG-UHFFFAOYSA-N 1 0 395.525 3.169 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000063745222 1408399632 /nfs/dbraw/zinc/39/96/32/1408399632.db2.gz YNCVKUBMHHVDLF-UHFFFAOYSA-N 1 0 375.469 3.332 20 5 GGBDRO CC[NH+]1CCN(CCCNC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000063744605 1408399740 /nfs/dbraw/zinc/39/97/40/1408399740.db2.gz ODIBWVAYUXXQIC-UHFFFAOYSA-N 1 0 376.504 3.145 20 5 GGBDRO Cc1c(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000063758461 1408403290 /nfs/dbraw/zinc/40/32/90/1408403290.db2.gz QTUWAKXQXNTNEY-CYBMUJFWSA-N 1 0 378.429 3.053 20 5 GGBDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000176426659 1428316605 /nfs/dbraw/zinc/31/66/05/1428316605.db2.gz LERZRONANLNUOT-CQSZACIVSA-N 1 0 376.482 3.491 20 5 GGBDRO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000064026270 1408469387 /nfs/dbraw/zinc/46/93/87/1408469387.db2.gz JMHKBTIXXJXTMV-UHFFFAOYSA-N 1 0 394.475 3.153 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ncn(CN3CC[NH+](CC4CCCCC4)CC3)n2)cc1 ZINC000064127207 1408491054 /nfs/dbraw/zinc/49/10/54/1408491054.db2.gz UHXXUQWIHXUMNB-UHFFFAOYSA-N 1 0 384.484 3.009 20 5 GGBDRO CC(C)NC(=O)c1ccc(N2CC[NH+](CC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000064129162 1408491961 /nfs/dbraw/zinc/49/19/61/1408491961.db2.gz FEEQZKAZUCFOHX-UHFFFAOYSA-N 1 0 388.512 3.435 20 5 GGBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000064244376 1408520067 /nfs/dbraw/zinc/52/00/67/1408520067.db2.gz KUCLOOJPHRSQHM-UHFFFAOYSA-N 1 0 388.493 3.368 20 5 GGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000064735768 1408604663 /nfs/dbraw/zinc/60/46/63/1408604663.db2.gz RLOHCBMOTQIULT-YRNRMSPPSA-N 1 0 397.479 3.258 20 5 GGBDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000064738662 1408605924 /nfs/dbraw/zinc/60/59/24/1408605924.db2.gz QDYDMSDFFBTLBA-UHFFFAOYSA-N 1 0 388.512 3.387 20 5 GGBDRO CCC[NH+]1CCC(N(C)C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000064863880 1408622888 /nfs/dbraw/zinc/62/28/88/1408622888.db2.gz HMMCQHVTXURZKH-ZDUSSCGKSA-N 1 0 383.876 3.348 20 5 GGBDRO CCc1cc(NCCCN2CC[NH+](CC)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064914183 1408627973 /nfs/dbraw/zinc/62/79/73/1408627973.db2.gz BCXWXSAVCOPDNZ-UHFFFAOYSA-N 1 0 398.511 3.054 20 5 GGBDRO CCc1cc(NCCCC[NH+]2CCN(C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064914138 1408628078 /nfs/dbraw/zinc/62/80/78/1408628078.db2.gz XXZLRDQGYJJEQN-UHFFFAOYSA-N 1 0 398.511 3.054 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000064956427 1408631526 /nfs/dbraw/zinc/63/15/26/1408631526.db2.gz BJZFKMYTHSQWQM-NVXWUHKLSA-N 1 0 389.477 3.017 20 5 GGBDRO COCCCC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccccc1 ZINC000065165186 1408650402 /nfs/dbraw/zinc/65/04/02/1408650402.db2.gz VXGMIIRTMCYTFM-UHFFFAOYSA-N 1 0 397.475 3.413 20 5 GGBDRO O=c1[nH]cnc2cc(NC[C@@H]3CCC[N@H+](Cc4ccccc4)C3)c([N+](=O)[O-])cc21 ZINC000065202204 1408652213 /nfs/dbraw/zinc/65/22/13/1408652213.db2.gz LUCZGYLGHHLYPK-INIZCTEOSA-N 1 0 393.447 3.155 20 5 GGBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000065323460 1408660824 /nfs/dbraw/zinc/66/08/24/1408660824.db2.gz FGRHUENUWZVCKX-MRXNPFEDSA-N 1 0 386.477 3.419 20 5 GGBDRO CC(C)[C@@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000065511515 1408681409 /nfs/dbraw/zinc/68/14/09/1408681409.db2.gz LTUBLGBWPUOMMX-LJQANCHMSA-N 1 0 376.501 3.193 20 5 GGBDRO CCOc1cc(NC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1OCC ZINC000065521047 1408683330 /nfs/dbraw/zinc/68/33/30/1408683330.db2.gz OZQOTOJZRNSRCN-CQSZACIVSA-N 1 0 394.472 3.244 20 5 GGBDRO O=C(Nc1ccccc1)NC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065536328 1408685251 /nfs/dbraw/zinc/68/52/51/1408685251.db2.gz WZOSSRYUYKUOQZ-UHFFFAOYSA-N 1 0 384.436 3.260 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1cccc(F)c1 ZINC000065841374 1408740297 /nfs/dbraw/zinc/74/02/97/1408740297.db2.gz FZNNURLAGYLGFT-LJQANCHMSA-N 1 0 384.411 3.108 20 5 GGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000065868014 1408745004 /nfs/dbraw/zinc/74/50/04/1408745004.db2.gz VUVZLIGNAGQFMM-CALCHBBNSA-N 1 0 386.496 3.424 20 5 GGBDRO CN(c1ccc(NC(=O)CNc2ccccc2[N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000065874137 1408746269 /nfs/dbraw/zinc/74/62/69/1408746269.db2.gz ZVRSDPCLHDZEMG-UHFFFAOYSA-N 1 0 397.479 3.176 20 5 GGBDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000065936522 1408757665 /nfs/dbraw/zinc/75/76/65/1408757665.db2.gz LNIPSCRCCSGDQG-UHFFFAOYSA-N 1 0 390.871 3.251 20 5 GGBDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000065937230 1408758183 /nfs/dbraw/zinc/75/81/83/1408758183.db2.gz DWTARUHREMSRON-UHFFFAOYSA-N 1 0 375.856 3.381 20 5 GGBDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000065937171 1408758271 /nfs/dbraw/zinc/75/82/71/1408758271.db2.gz KWNYECDVWFMEMV-UHFFFAOYSA-N 1 0 376.844 3.034 20 5 GGBDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000065938218 1408758918 /nfs/dbraw/zinc/75/89/18/1408758918.db2.gz WPJAZUOCTSYPMG-UHFFFAOYSA-N 1 0 377.391 3.006 20 5 GGBDRO O=C(NC1CCCCC1)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000065964124 1408763397 /nfs/dbraw/zinc/76/33/97/1408763397.db2.gz CNEMHIFAVDRDSA-UHFFFAOYSA-N 1 0 375.469 3.135 20 5 GGBDRO O=C(NC1CCCCC1)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000065964319 1408763789 /nfs/dbraw/zinc/76/37/89/1408763789.db2.gz OWFXZBLELKUKSN-UHFFFAOYSA-N 1 0 375.469 3.135 20 5 GGBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CC[N@H+](C)C2CCCCC2)cc1C ZINC000065971331 1408764896 /nfs/dbraw/zinc/76/48/96/1408764896.db2.gz CKHABYLAJVLZDI-UHFFFAOYSA-N 1 0 383.514 3.097 20 5 GGBDRO CC[NH+](CC)C1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000066395330 1408830204 /nfs/dbraw/zinc/83/02/04/1408830204.db2.gz FDKVRDZKGQNNRF-UHFFFAOYSA-N 1 0 391.515 3.488 20 5 GGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000066434480 1408837011 /nfs/dbraw/zinc/83/70/11/1408837011.db2.gz OZOIFNYYUHOKOC-SFHVURJKSA-N 1 0 389.408 3.153 20 5 GGBDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000066676453 1408882498 /nfs/dbraw/zinc/88/24/98/1408882498.db2.gz DWAQLHXQEJGYSM-UHFFFAOYSA-N 1 0 397.475 3.344 20 5 GGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066725728 1408894478 /nfs/dbraw/zinc/89/44/78/1408894478.db2.gz WIHRHNVAURDARL-UHFFFAOYSA-N 1 0 399.447 3.090 20 5 GGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000066795622 1408917308 /nfs/dbraw/zinc/91/73/08/1408917308.db2.gz YBRBXWSMWATKEX-UHFFFAOYSA-N 1 0 394.479 3.395 20 5 GGBDRO C[NH+](C)CCNC(=O)c1cccc(CNc2ccc([N+](=O)[O-])c3cccnc23)c1 ZINC000066816451 1408920659 /nfs/dbraw/zinc/92/06/59/1408920659.db2.gz CGIDJRDGEVKAAH-UHFFFAOYSA-N 1 0 393.447 3.047 20 5 GGBDRO C[NH+](C)CCNC(=O)c1cccc(CNc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000066816425 1408920690 /nfs/dbraw/zinc/92/06/90/1408920690.db2.gz DBYXNBZYZJYLCL-UHFFFAOYSA-N 1 0 376.844 3.152 20 5 GGBDRO COc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C)[NH+]2CCCC2)cc1 ZINC000067024063 1408984255 /nfs/dbraw/zinc/98/42/55/1408984255.db2.gz RJOOBOUQXKGLPP-FQEVSTJZSA-N 1 0 383.448 3.479 20 5 GGBDRO C[N@H+](CCCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCCC1 ZINC000067145310 1409021446 /nfs/dbraw/zinc/02/14/46/1409021446.db2.gz VEQJXSLTNVILRP-UHFFFAOYSA-N 1 0 385.468 3.165 20 5 GGBDRO C[C@H]1C[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000176581031 1428370295 /nfs/dbraw/zinc/37/02/95/1428370295.db2.gz VBFOWXZMOOGGIH-FUHWJXTLSA-N 1 0 383.448 3.143 20 5 GGBDRO C[C@@H]1C[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000176581018 1428369818 /nfs/dbraw/zinc/36/98/18/1428369818.db2.gz VBFOWXZMOOGGIH-SJLPKXTDSA-N 1 0 383.448 3.143 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)cc1OC ZINC000067207069 1409042533 /nfs/dbraw/zinc/04/25/33/1409042533.db2.gz RMJRRXOTWNVYPP-HNNXBMFYSA-N 1 0 399.447 3.135 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000176581993 1428370775 /nfs/dbraw/zinc/37/07/75/1428370775.db2.gz NOKLYEKFURAFFU-NVXWUHKLSA-N 1 0 383.448 3.386 20 5 GGBDRO COc1ccc(CSCC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000067270881 1409059832 /nfs/dbraw/zinc/05/98/32/1409059832.db2.gz PORZZMBBKJECFJ-OAHLLOKOSA-N 1 0 395.525 3.073 20 5 GGBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccco1 ZINC000067275315 1409061665 /nfs/dbraw/zinc/06/16/65/1409061665.db2.gz YDEMZSAICQZRIN-GOSISDBHSA-N 1 0 397.435 3.186 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)NCC[N@@H+](C)C3CC3)cc2[N+](=O)[O-])n1 ZINC000067282060 1409063617 /nfs/dbraw/zinc/06/36/17/1409063617.db2.gz DXMJTNUQMHEMEL-UHFFFAOYSA-N 1 0 392.506 3.335 20 5 GGBDRO O=C1[C@H]([NH2+]CC2(c3ccccc3)CCOCC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067452328 1409122922 /nfs/dbraw/zinc/12/29/22/1409122922.db2.gz CBIKJCNHKNXICS-HXUWFJFHSA-N 1 0 395.459 3.038 20 5 GGBDRO Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)[NH+](C)C)cc1 ZINC000067593460 1409179426 /nfs/dbraw/zinc/17/94/26/1409179426.db2.gz KVYHOYUPTAXMNM-GOSISDBHSA-N 1 0 386.408 3.153 20 5 GGBDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccco1 ZINC000067661732 1409200785 /nfs/dbraw/zinc/20/07/85/1409200785.db2.gz ZJHPGUJKOBOIND-HNNXBMFYSA-N 1 0 376.413 3.401 20 5 GGBDRO CCOc1cc(NC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1OCC ZINC000067736800 1409218069 /nfs/dbraw/zinc/21/80/69/1409218069.db2.gz OZQOTOJZRNSRCN-AWEZNQCLSA-N 1 0 394.472 3.244 20 5 GGBDRO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000067792892 1409232307 /nfs/dbraw/zinc/23/23/07/1409232307.db2.gz VVNUVJATMXDATI-IBGZPJMESA-N 1 0 385.464 3.345 20 5 GGBDRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000067833258 1409241145 /nfs/dbraw/zinc/24/11/45/1409241145.db2.gz FGIZWPNHNDDEEW-UHFFFAOYSA-N 1 0 393.447 3.113 20 5 GGBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000176635055 1428386517 /nfs/dbraw/zinc/38/65/17/1428386517.db2.gz LDVTWPVDZZECAP-NVXWUHKLSA-N 1 0 390.484 3.020 20 5 GGBDRO CCc1ccc([C@H](CNC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000067901815 1409252664 /nfs/dbraw/zinc/25/26/64/1409252664.db2.gz SZCVQPOCZPHJMK-IBGZPJMESA-N 1 0 385.464 3.127 20 5 GGBDRO COc1ccc(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1[N+](=O)[O-] ZINC000067906060 1409253241 /nfs/dbraw/zinc/25/32/41/1409253241.db2.gz QAQNYAJNCUTEKD-UHFFFAOYSA-N 1 0 383.448 3.058 20 5 GGBDRO COc1ccc(CC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000067907160 1409253733 /nfs/dbraw/zinc/25/37/33/1409253733.db2.gz VMPIQCMCRHYZFU-HOTGVXAUSA-N 1 0 377.485 3.020 20 5 GGBDRO COc1ccc(CC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000067915790 1409255022 /nfs/dbraw/zinc/25/50/22/1409255022.db2.gz YVYFSRDQEZHMEP-HXUWFJFHSA-N 1 0 397.475 3.408 20 5 GGBDRO Cc1ccc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000067979181 1409269223 /nfs/dbraw/zinc/26/92/23/1409269223.db2.gz UFJMCYNAHWUWPF-IAGOWNOFSA-N 1 0 397.475 3.442 20 5 GGBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000068080936 1409294345 /nfs/dbraw/zinc/29/43/45/1409294345.db2.gz SWHADHGVMIMWHU-UHFFFAOYSA-N 1 0 385.468 3.199 20 5 GGBDRO Cc1c(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000068116804 1409307799 /nfs/dbraw/zinc/30/77/99/1409307799.db2.gz CAFNTCFMOOKZKJ-KZULUSFZSA-N 1 0 378.429 3.052 20 5 GGBDRO Cc1c(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000068116803 1409307852 /nfs/dbraw/zinc/30/78/52/1409307852.db2.gz CAFNTCFMOOKZKJ-XIKOKIGWSA-N 1 0 378.429 3.052 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1cccc(F)c1 ZINC000068178752 1409324222 /nfs/dbraw/zinc/32/42/22/1409324222.db2.gz FZNNURLAGYLGFT-IBGZPJMESA-N 1 0 384.411 3.108 20 5 GGBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000068179611 1409324524 /nfs/dbraw/zinc/32/45/24/1409324524.db2.gz QWZOPQAOBDIOGN-UHFFFAOYSA-N 1 0 392.459 3.284 20 5 GGBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)C3CC[NH+](C)CC3)cc2[N+](=O)[O-])C1 ZINC000068192835 1409327399 /nfs/dbraw/zinc/32/73/99/1409327399.db2.gz KCPFOYICPRVXIW-IYBDPMFKSA-N 1 0 388.512 3.243 20 5 GGBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)C3CC[NH+](C)CC3)cc2[N+](=O)[O-])C1 ZINC000068192838 1409327448 /nfs/dbraw/zinc/32/74/48/1409327448.db2.gz KCPFOYICPRVXIW-HZPDHXFCSA-N 1 0 388.512 3.243 20 5 GGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000068203983 1409329696 /nfs/dbraw/zinc/32/96/96/1409329696.db2.gz VUVZLIGNAGQFMM-IAGOWNOFSA-N 1 0 386.496 3.424 20 5 GGBDRO COc1ccc(CSCC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000068210996 1409330366 /nfs/dbraw/zinc/33/03/66/1409330366.db2.gz ZWVOGLSTKSNQCG-LSDHHAIUSA-N 1 0 395.525 3.073 20 5 GGBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000068226270 1409334940 /nfs/dbraw/zinc/33/49/40/1409334940.db2.gz LQQXXLBNLHSNNS-SFHVURJKSA-N 1 0 385.439 3.305 20 5 GGBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000068256829 1409342576 /nfs/dbraw/zinc/34/25/76/1409342576.db2.gz LCHCGGHOEKFJME-SFHVURJKSA-N 1 0 382.464 3.035 20 5 GGBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000068387558 1409387124 /nfs/dbraw/zinc/38/71/24/1409387124.db2.gz JYBXNEFURJHUED-CYBMUJFWSA-N 1 0 386.408 3.362 20 5 GGBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000068387579 1409387145 /nfs/dbraw/zinc/38/71/45/1409387145.db2.gz XKXMXPDCRLLNPU-CYBMUJFWSA-N 1 0 381.436 3.330 20 5 GGBDRO COc1ccccc1[C@@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N)[NH+]1CCCC1 ZINC000068510292 1409422043 /nfs/dbraw/zinc/42/20/43/1409422043.db2.gz OOLKRNBECJVFFC-GOSISDBHSA-N 1 0 398.463 3.061 20 5 GGBDRO COc1ccc([C@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)[NH+]2CCCC2)cc1 ZINC000068509752 1409422312 /nfs/dbraw/zinc/42/23/12/1409422312.db2.gz ZVODKNURJUUKTQ-IBGZPJMESA-N 1 0 398.463 3.061 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000068555198 1409437430 /nfs/dbraw/zinc/43/74/30/1409437430.db2.gz GVFSVTHXXWWNAG-HZPDHXFCSA-N 1 0 390.484 3.256 20 5 GGBDRO Cc1c(NC(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000068555638 1409437467 /nfs/dbraw/zinc/43/74/67/1409437467.db2.gz AQFDSUQBPKWAGX-HUUCEWRRSA-N 1 0 390.484 3.256 20 5 GGBDRO CC(C)OCC[NH+]1CCC(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000176688660 1428408229 /nfs/dbraw/zinc/40/82/29/1428408229.db2.gz LDRGGUMNQPFHNS-OAHLLOKOSA-N 1 0 395.525 3.081 20 5 GGBDRO CC(C)[N@@H+]1CCCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 ZINC000068800458 1409494827 /nfs/dbraw/zinc/49/48/27/1409494827.db2.gz ZLQMGBQWMRXBAQ-UHFFFAOYSA-N 1 0 388.512 3.387 20 5 GGBDRO CC(=O)c1ccc(N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000068910700 1409522516 /nfs/dbraw/zinc/52/25/16/1409522516.db2.gz ZPDVRKXELYBDMU-FQEVSTJZSA-N 1 0 382.464 3.198 20 5 GGBDRO CC(=O)c1ccc(N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000068910703 1409522588 /nfs/dbraw/zinc/52/25/88/1409522588.db2.gz ZPDVRKXELYBDMU-HXUWFJFHSA-N 1 0 382.464 3.198 20 5 GGBDRO Cc1c(NC(=O)[C@@H](C)N2CCC[N@H+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000068966955 1409535324 /nfs/dbraw/zinc/53/53/24/1409535324.db2.gz LSBHXXZLMKPBGC-GOSISDBHSA-N 1 0 396.491 3.438 20 5 GGBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000069063948 1409554819 /nfs/dbraw/zinc/55/48/19/1409554819.db2.gz CVOZAIJEPHHKJR-UHFFFAOYSA-N 1 0 398.463 3.069 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000069612196 1409662342 /nfs/dbraw/zinc/66/23/42/1409662342.db2.gz DVTXPKFETIVOMU-FQEVSTJZSA-N 1 0 397.479 3.013 20 5 GGBDRO COc1cccc([C@@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000069617689 1409663926 /nfs/dbraw/zinc/66/39/26/1409663926.db2.gz FTZWTYBITOQFGN-QGZVFWFLSA-N 1 0 377.828 3.290 20 5 GGBDRO Cc1c(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000069618835 1409664437 /nfs/dbraw/zinc/66/44/37/1409664437.db2.gz QFZOFWVWQYONAB-LJQANCHMSA-N 1 0 398.419 3.378 20 5 GGBDRO Cn1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000069784203 1409698288 /nfs/dbraw/zinc/69/82/88/1409698288.db2.gz LPRBRPOPKXTEQK-UHFFFAOYSA-N 1 0 394.431 3.446 20 5 GGBDRO C[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000069784452 1409698450 /nfs/dbraw/zinc/69/84/50/1409698450.db2.gz CKYKHVITIMRBOD-GFCCVEGCSA-N 1 0 397.884 3.349 20 5 GGBDRO C[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000069784451 1409698752 /nfs/dbraw/zinc/69/87/52/1409698752.db2.gz CKYKHVITIMRBOD-LBPRGKRZSA-N 1 0 397.884 3.349 20 5 GGBDRO CC[NH+]1CCC(n2nccc2NC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069898478 1409721518 /nfs/dbraw/zinc/72/15/18/1409721518.db2.gz BYISBOYBBCWYDT-UHFFFAOYSA-N 1 0 389.481 3.179 20 5 GGBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000176719878 1428432071 /nfs/dbraw/zinc/43/20/71/1428432071.db2.gz PHTWEYAWJXDPPJ-AEFFLSMTSA-N 1 0 396.491 3.444 20 5 GGBDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000071027552 1409814411 /nfs/dbraw/zinc/81/44/11/1409814411.db2.gz OQXZEBWFNPSPGA-UHFFFAOYSA-N 1 0 392.419 3.418 20 5 GGBDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000071040362 1409815052 /nfs/dbraw/zinc/81/50/52/1409815052.db2.gz WZIRIJUYEYXDBR-UHFFFAOYSA-N 1 0 378.392 3.028 20 5 GGBDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccc(N)c([N+](=O)[O-])c3)cc2)C1 ZINC000071906930 1409829992 /nfs/dbraw/zinc/82/99/92/1409829992.db2.gz RHJUHZJHSWFLQK-OAHLLOKOSA-N 1 0 382.464 3.339 20 5 GGBDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000072045667 1409841144 /nfs/dbraw/zinc/84/11/44/1409841144.db2.gz HPIDFVUTDAWLIA-UHFFFAOYSA-N 1 0 395.463 3.455 20 5 GGBDRO CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])C1CC[NH+](CCc2ccccn2)CC1 ZINC000072054324 1409842299 /nfs/dbraw/zinc/84/22/99/1409842299.db2.gz YFJRFTIBLPZZTP-MDZDMXLPSA-N 1 0 394.475 3.169 20 5 GGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000072106950 1409848995 /nfs/dbraw/zinc/84/89/95/1409848995.db2.gz ULSYOZNRJKGVNY-IBGZPJMESA-N 1 0 399.447 3.194 20 5 GGBDRO COc1cc(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000072810404 1409853507 /nfs/dbraw/zinc/85/35/07/1409853507.db2.gz GJWUNCHZJNMSOU-HOTGVXAUSA-N 1 0 375.469 3.330 20 5 GGBDRO CCCC[N@H+](C)CC1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000074319631 1409871712 /nfs/dbraw/zinc/87/17/12/1409871712.db2.gz NEYAYFZZNVXRFI-MRXNPFEDSA-N 1 0 376.501 3.366 20 5 GGBDRO CC[NH+](CC)CCOC1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000074684201 1409875514 /nfs/dbraw/zinc/87/55/14/1409875514.db2.gz UBSPYUXLVRZZJA-UHFFFAOYSA-N 1 0 378.473 3.258 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1CNc1ccccc1C[NH+]1CCC(CO)CC1 ZINC000078404980 1409916220 /nfs/dbraw/zinc/91/62/20/1409916220.db2.gz PMEGYYGTSRIMCX-UHFFFAOYSA-N 1 0 385.464 3.420 20 5 GGBDRO Cc1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000176732425 1428440864 /nfs/dbraw/zinc/44/08/64/1428440864.db2.gz GPLAITSZGUAFKG-MRXNPFEDSA-N 1 0 385.468 3.133 20 5 GGBDRO CCCCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000078621425 1409929894 /nfs/dbraw/zinc/92/98/94/1409929894.db2.gz SURYJIFASBCCQN-UHFFFAOYSA-N 1 0 379.505 3.038 20 5 GGBDRO Cc1noc([C@@H]2CCC[N@@H+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000091832193 1410084330 /nfs/dbraw/zinc/08/43/30/1410084330.db2.gz SNXTZSFCZOKIEG-OAHLLOKOSA-N 1 0 382.424 3.066 20 5 GGBDRO COc1ccc(C[N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1O ZINC000092404735 1410152056 /nfs/dbraw/zinc/15/20/56/1410152056.db2.gz FUCXHYWGJUHKFN-UHFFFAOYSA-N 1 0 382.420 3.342 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000092424563 1410156325 /nfs/dbraw/zinc/15/63/25/1410156325.db2.gz WRSFKKQWJBTAIF-HOTGVXAUSA-N 1 0 377.485 3.139 20 5 GGBDRO COc1ccc(-c2ccc(C[NH+]3CCC(N(C)C(C)=O)CC3)o2)c([N+](=O)[O-])c1 ZINC000092538514 1410170465 /nfs/dbraw/zinc/17/04/65/1410170465.db2.gz CQQSPYBMCFQOKH-UHFFFAOYSA-N 1 0 387.436 3.306 20 5 GGBDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000092710118 1410194082 /nfs/dbraw/zinc/19/40/82/1410194082.db2.gz NOUPVMQBOCWLJY-KRWDZBQOSA-N 1 0 399.495 3.124 20 5 GGBDRO C[N@H+](CCN1CCOCC1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000092974625 1410213424 /nfs/dbraw/zinc/21/34/24/1410213424.db2.gz PBSXRDODFBNWPH-UHFFFAOYSA-N 1 0 379.844 3.272 20 5 GGBDRO C[N@H+](CCN1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1)Cc1ccccc1 ZINC000093104894 1410222174 /nfs/dbraw/zinc/22/21/74/1410222174.db2.gz NJEJZYVNPPAXDN-YRNVUSSQSA-N 1 0 394.519 3.358 20 5 GGBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@@H+](CCO)CCCO)cc1 ZINC000093324018 1410234274 /nfs/dbraw/zinc/23/42/74/1410234274.db2.gz ZPEBTWJPSIAPSF-UHFFFAOYSA-N 1 0 380.828 3.217 20 5 GGBDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000093360424 1410238271 /nfs/dbraw/zinc/23/82/71/1410238271.db2.gz CXDHGDFLYUHKHS-GFCCVEGCSA-N 1 0 377.828 3.466 20 5 GGBDRO COc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1OC(F)F ZINC000093534455 1410250687 /nfs/dbraw/zinc/25/06/87/1410250687.db2.gz FPWRYSFMHHDKTD-ZDUSSCGKSA-N 1 0 394.378 3.286 20 5 GGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3c[nH]nc3-c3ccccc3F)C2)nc1 ZINC000093534445 1410250789 /nfs/dbraw/zinc/25/07/89/1410250789.db2.gz DOZHXRYCQFVLFQ-AWEZNQCLSA-N 1 0 382.399 3.205 20 5 GGBDRO Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534277 1410251205 /nfs/dbraw/zinc/25/12/05/1410251205.db2.gz ARXMWPOBACDANH-KRWDZBQOSA-N 1 0 378.436 3.170 20 5 GGBDRO COc1nc2ccccc2cc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534351 1410251257 /nfs/dbraw/zinc/25/12/57/1410251257.db2.gz YLLYNKLYCYXMSB-INIZCTEOSA-N 1 0 379.420 3.233 20 5 GGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cnn(-c4ccc(F)cc4)c3)C2)nc1 ZINC000093534876 1410251743 /nfs/dbraw/zinc/25/17/43/1410251743.db2.gz RYSNJZBWCGWMEQ-MRXNPFEDSA-N 1 0 382.399 3.001 20 5 GGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(Oc4cnccn4)cc3)C2)nc1 ZINC000093534775 1410252024 /nfs/dbraw/zinc/25/20/24/1410252024.db2.gz HSWINAUPMGOJJE-MRXNPFEDSA-N 1 0 392.419 3.259 20 5 GGBDRO COCCCOC1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000093561266 1410254122 /nfs/dbraw/zinc/25/41/22/1410254122.db2.gz JYCMFTZZCFVSJY-UHFFFAOYSA-N 1 0 388.468 3.013 20 5 GGBDRO COc1cc(C[N@@H+]2CC[C@]3(CCOC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000093820317 1410272505 /nfs/dbraw/zinc/27/25/05/1410272505.db2.gz BSBBEVQJHZCQPV-INIZCTEOSA-N 1 0 390.358 3.157 20 5 GGBDRO Cn1cc(C[N@H+](C)[C@@H]2CCCc3c2cnn3C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093863700 1410274506 /nfs/dbraw/zinc/27/45/06/1410274506.db2.gz XRVMBOBFLJTCDC-GOSISDBHSA-N 1 0 380.452 3.238 20 5 GGBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)N1CCOCC1 ZINC000176804351 1428470271 /nfs/dbraw/zinc/47/02/71/1428470271.db2.gz UAAKEKAOXIADCR-MRXNPFEDSA-N 1 0 389.477 3.050 20 5 GGBDRO CC[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)N1CCOCC1 ZINC000176804338 1428470292 /nfs/dbraw/zinc/47/02/92/1428470292.db2.gz UAAKEKAOXIADCR-INIZCTEOSA-N 1 0 389.477 3.050 20 5 GGBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(CC[NH+](C)C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000096943424 1410339055 /nfs/dbraw/zinc/33/90/55/1410339055.db2.gz UTICDLAGVYGZBT-UHFFFAOYSA-N 1 0 386.408 3.015 20 5 GGBDRO Cc1c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000097152755 1410355550 /nfs/dbraw/zinc/35/55/50/1410355550.db2.gz RZPBAWVSHUFVJZ-GFCCVEGCSA-N 1 0 378.429 3.052 20 5 GGBDRO CN(c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000097207691 1410358921 /nfs/dbraw/zinc/35/89/21/1410358921.db2.gz LMVIPYUXLBXHHK-UHFFFAOYSA-N 1 0 382.464 3.306 20 5 GGBDRO C[C@@H]1C[NH+](CCCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000097253015 1410360691 /nfs/dbraw/zinc/36/06/91/1410360691.db2.gz ZUSBOCVGNKJBMD-HUUCEWRRSA-N 1 0 377.485 3.121 20 5 GGBDRO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000097287272 1410363345 /nfs/dbraw/zinc/36/33/45/1410363345.db2.gz OSNKFFIIWCMLGK-UHFFFAOYSA-N 1 0 391.493 3.224 20 5 GGBDRO C[N@H+](CCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000176814655 1428477864 /nfs/dbraw/zinc/47/78/64/1428477864.db2.gz KQOYDIHXUXYLPB-UHFFFAOYSA-N 1 0 386.427 3.170 20 5 GGBDRO Cc1cc(N2CCC(OCCC[NH+](C)C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000176814841 1428478247 /nfs/dbraw/zinc/47/82/47/1428478247.db2.gz QHPZGQKGJLTQHB-UHFFFAOYSA-N 1 0 399.495 3.297 20 5 GGBDRO O=C(c1cc(NCC[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000097513539 1410373233 /nfs/dbraw/zinc/37/32/33/1410373233.db2.gz BOYVAYRSECMRFT-UHFFFAOYSA-N 1 0 394.475 3.301 20 5 GGBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@@H+]1Cc1ccccc1 ZINC000176815955 1428479104 /nfs/dbraw/zinc/47/91/04/1428479104.db2.gz PTPOJFKZBLZSEN-WBVHZDCISA-N 1 0 382.464 3.302 20 5 GGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCOc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000097596013 1410383499 /nfs/dbraw/zinc/38/34/99/1410383499.db2.gz WUPUHJLTGZWIQH-UHFFFAOYSA-N 1 0 386.408 3.140 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)NC3CC[NH+](C)CC3)cc2[N+](=O)[O-])n1 ZINC000098081709 1410410103 /nfs/dbraw/zinc/41/01/03/1410410103.db2.gz MAHSTASVXVBERA-UHFFFAOYSA-N 1 0 392.506 3.335 20 5 GGBDRO COc1cc(C[NH2+]CCCC(=O)Nc2ccc(Cl)cc2)c([N+](=O)[O-])cc1O ZINC000101595433 1410474546 /nfs/dbraw/zinc/47/45/46/1410474546.db2.gz GBKURBANLUSMKJ-UHFFFAOYSA-N 1 0 393.827 3.471 20 5 GGBDRO COc1ccc(CN2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000101920552 1410524131 /nfs/dbraw/zinc/52/41/31/1410524131.db2.gz QYKDHVHUJYMSMX-MRXNPFEDSA-N 1 0 388.399 3.139 20 5 GGBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000102006672 1410542398 /nfs/dbraw/zinc/54/23/98/1410542398.db2.gz AXCPERGVIRXRDG-UHFFFAOYSA-N 1 0 388.493 3.368 20 5 GGBDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)cc2)C1 ZINC000102232275 1410585218 /nfs/dbraw/zinc/58/52/18/1410585218.db2.gz DDZUFDHWLGICBQ-HNNXBMFYSA-N 1 0 385.468 3.397 20 5 GGBDRO COc1ccc(-c2ccc(C[NH2+]Cc3ccc(C(N)=O)cc3)o2)c([N+](=O)[O-])c1 ZINC000102419688 1410626289 /nfs/dbraw/zinc/62/62/89/1410626289.db2.gz RQAMYJWTSXXXLW-UHFFFAOYSA-N 1 0 381.388 3.252 20 5 GGBDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000102691153 1410699406 /nfs/dbraw/zinc/69/94/06/1410699406.db2.gz MBWGACWJNAIRQW-HXUWFJFHSA-N 1 0 385.420 3.291 20 5 GGBDRO Cn1cc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000102731518 1410715796 /nfs/dbraw/zinc/71/57/96/1410715796.db2.gz ZGGQLNDOXHMAJT-UHFFFAOYSA-N 1 0 393.447 3.352 20 5 GGBDRO C[C@H]1C[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000176885028 1428511914 /nfs/dbraw/zinc/51/19/14/1428511914.db2.gz HIHOHYDGGRIQCM-LPHOPBHVSA-N 1 0 382.464 3.399 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1SC ZINC000103063609 1410823839 /nfs/dbraw/zinc/82/38/39/1410823839.db2.gz OQHGLQOQKAPDJJ-CYBMUJFWSA-N 1 0 395.506 3.420 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)N(C)CC[NH+]2CCCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000103116293 1410829013 /nfs/dbraw/zinc/82/90/13/1410829013.db2.gz ZWQILVLODKMDHZ-MRXNPFEDSA-N 1 0 397.479 3.331 20 5 GGBDRO COc1cc(CN(CCO)Cc2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000103140564 1410831127 /nfs/dbraw/zinc/83/11/27/1410831127.db2.gz AOIMXDJSKVMXOV-UHFFFAOYSA-N 1 0 382.363 3.199 20 5 GGBDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000103474977 1410861826 /nfs/dbraw/zinc/86/18/26/1410861826.db2.gz ZXUGGASCVFYTCC-UHFFFAOYSA-N 1 0 393.447 3.148 20 5 GGBDRO Cc1nn(Cc2ccc(C(=O)N3CCCC[C@H]3C[NH+](C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000104412532 1410895276 /nfs/dbraw/zinc/89/52/76/1410895276.db2.gz HUYPARRLZZSRIP-IBGZPJMESA-N 1 0 399.495 3.013 20 5 GGBDRO CC1CCN(c2ccc(C(=O)N3CCCC[C@@H]3C[NH+](C)C)cc2[N+](=O)[O-])CC1 ZINC000104412254 1410895347 /nfs/dbraw/zinc/89/53/47/1410895347.db2.gz FABWXWXHIXSOGR-GOSISDBHSA-N 1 0 388.512 3.387 20 5 GGBDRO COc1cc[nH+]c(N2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC2)c1 ZINC000104518021 1410898543 /nfs/dbraw/zinc/89/85/43/1410898543.db2.gz GVQKMIZDEKMYSY-UHFFFAOYSA-N 1 0 398.463 3.258 20 5 GGBDRO C[N@H+](CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C1CCCC1 ZINC000104574218 1410902247 /nfs/dbraw/zinc/90/22/47/1410902247.db2.gz XGNMAXNVNKBPAP-UHFFFAOYSA-N 1 0 389.374 3.140 20 5 GGBDRO COc1ccccc1C[N@H+](CCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104694785 1410932013 /nfs/dbraw/zinc/93/20/13/1410932013.db2.gz XRXYNJUMMPKPQV-UHFFFAOYSA-N 1 0 397.431 3.295 20 5 GGBDRO COc1cc[nH+]c(N2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000104770606 1410959146 /nfs/dbraw/zinc/95/91/46/1410959146.db2.gz DIUHIYUJHFSXAM-UHFFFAOYSA-N 1 0 391.815 3.006 20 5 GGBDRO Cc1cc(F)cc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000176948379 1428528479 /nfs/dbraw/zinc/52/84/79/1428528479.db2.gz XEUIZFKQPVMSSV-UHFFFAOYSA-N 1 0 385.439 3.479 20 5 GGBDRO Cc1cc(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000104882051 1410988724 /nfs/dbraw/zinc/98/87/24/1410988724.db2.gz KUMPDYZBZWZQMF-UHFFFAOYSA-N 1 0 396.491 3.266 20 5 GGBDRO Cc1c(NC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cccc1[N+](=O)[O-] ZINC000104977050 1411006414 /nfs/dbraw/zinc/00/64/14/1411006414.db2.gz FGIZLSLABPTNIN-UHFFFAOYSA-N 1 0 398.463 3.182 20 5 GGBDRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC000105431439 1411065851 /nfs/dbraw/zinc/06/58/51/1411065851.db2.gz AGOSSDHKINEUSC-UHFFFAOYSA-N 1 0 397.522 3.019 20 5 GGBDRO Cn1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105448211 1411067442 /nfs/dbraw/zinc/06/74/42/1411067442.db2.gz WETRMLFIBJHPRZ-UHFFFAOYSA-N 1 0 381.392 3.236 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000105486047 1411071256 /nfs/dbraw/zinc/07/12/56/1411071256.db2.gz KKCRIAJOPLSZJU-IBGZPJMESA-N 1 0 375.856 3.411 20 5 GGBDRO COc1ccc(-c2ccc(C[NH2+][C@H](C)[C@@H](C)N3CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000105500728 1411073592 /nfs/dbraw/zinc/07/35/92/1411073592.db2.gz HDMCJKRZFLWDHM-HUUCEWRRSA-N 1 0 389.452 3.062 20 5 GGBDRO COc1ccc(-c2ccc(C[NH2+][C@H](C)[C@H](C)N3CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000105500733 1411073669 /nfs/dbraw/zinc/07/36/69/1411073669.db2.gz HDMCJKRZFLWDHM-CABCVRRESA-N 1 0 389.452 3.062 20 5 GGBDRO COc1cccc([C@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC)[NH+](C)C)c1 ZINC000106317759 1411193847 /nfs/dbraw/zinc/19/38/47/1411193847.db2.gz MOFLLVXZZZTFBY-KRWDZBQOSA-N 1 0 388.424 3.036 20 5 GGBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000106363554 1411206798 /nfs/dbraw/zinc/20/67/98/1411206798.db2.gz QMJIMOBWPMJOCG-SFHVURJKSA-N 1 0 382.464 3.373 20 5 GGBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000106788813 1411301462 /nfs/dbraw/zinc/30/14/62/1411301462.db2.gz GCPPSILBNSBUIK-CQSZACIVSA-N 1 0 386.477 3.465 20 5 GGBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106790163 1411301753 /nfs/dbraw/zinc/30/17/53/1411301753.db2.gz QVJJQDHBYIJDCN-OCCSQVGLSA-N 1 0 381.860 3.149 20 5 GGBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000107373428 1411366452 /nfs/dbraw/zinc/36/64/52/1411366452.db2.gz HBWXNQWOMBARIS-UHFFFAOYSA-N 1 0 377.832 3.239 20 5 GGBDRO C[C@@H]1C[N@@H+](CC2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)C[C@H](C)O1 ZINC000177039980 1428564598 /nfs/dbraw/zinc/56/45/98/1428564598.db2.gz QJQIOVZGLIFGRV-GASCZTMLSA-N 1 0 388.468 3.057 20 5 GGBDRO COc1ccc(NC(=O)CC[N@H+](C)CCN(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000107683063 1411397623 /nfs/dbraw/zinc/39/76/23/1411397623.db2.gz WHBWIGIPXNWUIC-UHFFFAOYSA-N 1 0 386.452 3.000 20 5 GGBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@@H]3CCC[N@H+](C)C3)cc2[N+](=O)[O-])C1 ZINC000108336247 1411474972 /nfs/dbraw/zinc/47/49/72/1411474972.db2.gz UQXPNZCXOWQQGA-ZACQAIPSSA-N 1 0 388.512 3.149 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)NC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000108336700 1411476561 /nfs/dbraw/zinc/47/65/61/1411476561.db2.gz PYOKMIVEEZBSRY-JKSUJKDBSA-N 1 0 397.479 3.235 20 5 GGBDRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000177052266 1428569640 /nfs/dbraw/zinc/56/96/40/1428569640.db2.gz HCPLVAAHQDQNFB-UHFFFAOYSA-N 1 0 384.864 3.259 20 5 GGBDRO CCCO[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000108396206 1411489956 /nfs/dbraw/zinc/48/99/56/1411489956.db2.gz ZXYHICYVHZSSGD-INIZCTEOSA-N 1 0 379.457 3.213 20 5 GGBDRO CC1CC[NH+](CCCCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000108610787 1411551427 /nfs/dbraw/zinc/55/14/27/1411551427.db2.gz SMSZMBTWVPNHHO-UHFFFAOYSA-N 1 0 385.468 3.022 20 5 GGBDRO CCOc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccccc2F)cc1[N+](=O)[O-] ZINC000108682119 1411570981 /nfs/dbraw/zinc/57/09/81/1411570981.db2.gz DWEXRERWKMDIPO-UHFFFAOYSA-N 1 0 389.427 3.337 20 5 GGBDRO C[N@H+](CCNC(=O)CSc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000177071278 1428577327 /nfs/dbraw/zinc/57/73/27/1428577327.db2.gz VQROTTMLJXPNPG-UHFFFAOYSA-N 1 0 377.441 3.074 20 5 GGBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000108783117 1411608887 /nfs/dbraw/zinc/60/88/87/1411608887.db2.gz LMSILELOAWQHQR-QGZVFWFLSA-N 1 0 394.475 3.421 20 5 GGBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C[NH+]1CCCCC1 ZINC000109117107 1411687360 /nfs/dbraw/zinc/68/73/60/1411687360.db2.gz SVHUOTBFJRDFIF-QGZVFWFLSA-N 1 0 388.512 3.437 20 5 GGBDRO COc1ccc([C@H]([NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C2CC2)cc1 ZINC000109147299 1411694268 /nfs/dbraw/zinc/69/42/68/1411694268.db2.gz PNTOCIGWBNWJBZ-VQTJNVASSA-N 1 0 381.432 3.450 20 5 GGBDRO Cc1ccc([C@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[NH+](C)C)cc1 ZINC000109289343 1411732973 /nfs/dbraw/zinc/73/29/73/1411732973.db2.gz SIHCSTZZDGZXDE-FQEVSTJZSA-N 1 0 393.447 3.122 20 5 GGBDRO Cc1ccc([C@@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[NH+](C)C)cc1 ZINC000109289340 1411733062 /nfs/dbraw/zinc/73/30/62/1411733062.db2.gz SIHCSTZZDGZXDE-HXUWFJFHSA-N 1 0 393.447 3.122 20 5 GGBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000109313000 1411738443 /nfs/dbraw/zinc/73/84/43/1411738443.db2.gz HAAMZPSYGNNCQR-SFHVURJKSA-N 1 0 398.463 3.125 20 5 GGBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000109312649 1411738506 /nfs/dbraw/zinc/73/85/06/1411738506.db2.gz XATUAHGTCAUPCL-FQEVSTJZSA-N 1 0 382.464 3.045 20 5 GGBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1 ZINC000109343660 1411745068 /nfs/dbraw/zinc/74/50/68/1411745068.db2.gz ORVYUVARZLPXBU-UHFFFAOYSA-N 1 0 393.447 3.162 20 5 GGBDRO C[C@H]([NH2+]C(C)(C)CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC000109342994 1411745375 /nfs/dbraw/zinc/74/53/75/1411745375.db2.gz YYYQWNCNBROEBH-ZDUSSCGKSA-N 1 0 395.456 3.142 20 5 GGBDRO C[NH+](C)C1CCN(CCNC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000177120524 1428593811 /nfs/dbraw/zinc/59/38/11/1428593811.db2.gz RSVSMUJVSRONFG-UHFFFAOYSA-N 1 0 376.504 3.144 20 5 GGBDRO CC(C)[NH+]1CCN(c2ccc(C(=O)NCc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000109487324 1411773227 /nfs/dbraw/zinc/77/32/27/1411773227.db2.gz IZICVASHQIJKJX-UHFFFAOYSA-N 1 0 382.464 3.055 20 5 GGBDRO Cc1ccc([C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000109503068 1411775049 /nfs/dbraw/zinc/77/50/49/1411775049.db2.gz IQIZNHHILUGPPB-LJQANCHMSA-N 1 0 383.448 3.235 20 5 GGBDRO COc1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1[N+](=O)[O-] ZINC000109564113 1411787787 /nfs/dbraw/zinc/78/77/87/1411787787.db2.gz TWOGRBWUZLTMBY-AWEZNQCLSA-N 1 0 389.477 3.307 20 5 GGBDRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000109740400 1411807238 /nfs/dbraw/zinc/80/72/38/1411807238.db2.gz ABJWMYFSBRIDSN-UHFFFAOYSA-N 1 0 386.427 3.275 20 5 GGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000109894590 1411817158 /nfs/dbraw/zinc/81/71/58/1411817158.db2.gz HEVWLNCYFPEYTC-LJQANCHMSA-N 1 0 385.468 3.165 20 5 GGBDRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000109980942 1411822890 /nfs/dbraw/zinc/82/28/90/1411822890.db2.gz SBIBQCFIQYPDLE-UHFFFAOYSA-N 1 0 381.860 3.013 20 5 GGBDRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000109981727 1411822942 /nfs/dbraw/zinc/82/29/42/1411822942.db2.gz NWCKIMYQYYSCJK-UHFFFAOYSA-N 1 0 381.860 3.013 20 5 GGBDRO CC[NH+](CC)[C@H](CNc1c([N+](=O)[O-])cc(CO)c(C)c1[N+](=O)[O-])c1ccco1 ZINC000110319358 1411844424 /nfs/dbraw/zinc/84/44/24/1411844424.db2.gz HXXLICFGVCTHJK-OAHLLOKOSA-N 1 0 392.412 3.392 20 5 GGBDRO CC[NH+](CC)[C@@H](CNc1c([N+](=O)[O-])cc(CO)c(C)c1[N+](=O)[O-])c1ccco1 ZINC000110319354 1411844530 /nfs/dbraw/zinc/84/45/30/1411844530.db2.gz HXXLICFGVCTHJK-HNNXBMFYSA-N 1 0 392.412 3.392 20 5 GGBDRO C[C@@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[N@H+](C)Cc1ccccc1 ZINC000110353008 1411846231 /nfs/dbraw/zinc/84/62/31/1411846231.db2.gz RAFBVQGLSKFEHN-INIZCTEOSA-N 1 0 393.447 3.031 20 5 GGBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H](C)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000110594883 1411859179 /nfs/dbraw/zinc/85/91/79/1411859179.db2.gz ONMTYUQHQFJUGT-CYBMUJFWSA-N 1 0 388.424 3.236 20 5 GGBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H](C)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000110594887 1411859417 /nfs/dbraw/zinc/85/94/17/1411859417.db2.gz ONMTYUQHQFJUGT-ZDUSSCGKSA-N 1 0 388.424 3.236 20 5 GGBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000110870629 1411874408 /nfs/dbraw/zinc/87/44/08/1411874408.db2.gz INFIGJCOJATEFJ-UHFFFAOYSA-N 1 0 389.427 3.269 20 5 GGBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000110872209 1411874597 /nfs/dbraw/zinc/87/45/97/1411874597.db2.gz TUMRIURRKLTQAR-UHFFFAOYSA-N 1 0 386.408 3.273 20 5 GGBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000110996175 1411881135 /nfs/dbraw/zinc/88/11/35/1411881135.db2.gz XMFFDRKMUKVYST-GFCCVEGCSA-N 1 0 389.374 3.140 20 5 GGBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000110996178 1411881171 /nfs/dbraw/zinc/88/11/71/1411881171.db2.gz XMFFDRKMUKVYST-LBPRGKRZSA-N 1 0 389.374 3.140 20 5 GGBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000110995785 1411881297 /nfs/dbraw/zinc/88/12/97/1411881297.db2.gz XQIPEBQDWKDXCO-LJQANCHMSA-N 1 0 399.495 3.061 20 5 GGBDRO CC[NH+](CC)[C@@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000111034383 1411883207 /nfs/dbraw/zinc/88/32/07/1411883207.db2.gz XESLBEKQCSPEBU-OAQYLSRUSA-N 1 0 396.491 3.327 20 5 GGBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000111048537 1411884561 /nfs/dbraw/zinc/88/45/61/1411884561.db2.gz VHSLKCXFQSUESV-OAHLLOKOSA-N 1 0 391.493 3.311 20 5 GGBDRO O=[N+]([O-])c1ccc2nc(NCCN3CC[NH+](Cc4ccccc4)CC3)sc2c1 ZINC000111103551 1411887240 /nfs/dbraw/zinc/88/72/40/1411887240.db2.gz IHVRAFLZVPKCHY-UHFFFAOYSA-N 1 0 397.504 3.434 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000111227431 1411896569 /nfs/dbraw/zinc/89/65/69/1411896569.db2.gz LGYODDAXMPHHCA-HNNXBMFYSA-N 1 0 391.493 3.311 20 5 GGBDRO O=C1c2ccccc2C(=O)N1CCCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000111394113 1411941149 /nfs/dbraw/zinc/94/11/49/1411941149.db2.gz OWTIDAVYKMEPST-VQHVLOKHSA-N 1 0 379.416 3.274 20 5 GGBDRO COc1cc(C[NH2+]CCCC(=O)N2Cc3ccccc3C2)c([N+](=O)[O-])cc1OC ZINC000111405862 1411944494 /nfs/dbraw/zinc/94/44/94/1411944494.db2.gz LXZQSGYCUWATCS-UHFFFAOYSA-N 1 0 399.447 3.024 20 5 GGBDRO COc1cc(C[NH2+]CCCC(=O)N2CCc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000111409550 1411945360 /nfs/dbraw/zinc/94/53/60/1411945360.db2.gz HYXGGHMUONNTKU-UHFFFAOYSA-N 1 0 399.447 3.071 20 5 GGBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH+](CCCOCC(F)(F)F)CC3)ccc2c1 ZINC000112076441 1412074310 /nfs/dbraw/zinc/07/43/10/1412074310.db2.gz YYWBSSSNEYAKKD-UHFFFAOYSA-N 1 0 398.385 3.234 20 5 GGBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000112078335 1412074410 /nfs/dbraw/zinc/07/44/10/1412074410.db2.gz NGUYLWRQHUMMJK-IRXDYDNUSA-N 1 0 383.496 3.138 20 5 GGBDRO C[NH+](C)CCOc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000112114779 1412078355 /nfs/dbraw/zinc/07/83/55/1412078355.db2.gz NSJSJXWIDVBLND-UHFFFAOYSA-N 1 0 377.828 3.119 20 5 GGBDRO O=C(Cc1ccccc1[N+](=O)[O-])NCC1([NH+]2CCSCC2)CCCCC1 ZINC000112186699 1412090570 /nfs/dbraw/zinc/09/05/70/1412090570.db2.gz QILYEVZTFJTDIA-UHFFFAOYSA-N 1 0 377.510 3.005 20 5 GGBDRO CC(C)(C)C(=O)NC[C@H]1CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000112694938 1412194310 /nfs/dbraw/zinc/19/43/10/1412194310.db2.gz IMVGUBQZTWFDRX-MRXNPFEDSA-N 1 0 399.495 3.290 20 5 GGBDRO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000112982348 1412250316 /nfs/dbraw/zinc/25/03/16/1412250316.db2.gz UWYJWTVTGLIRMW-KRWDZBQOSA-N 1 0 386.452 3.125 20 5 GGBDRO COc1ccc([C@H](CO)[N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000112996732 1412252970 /nfs/dbraw/zinc/25/29/70/1412252970.db2.gz JHYGYYXLRVNBOO-IBGZPJMESA-N 1 0 397.431 3.466 20 5 GGBDRO C[C@H]([NH2+]C1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CCOCC1)c1ccccc1 ZINC000113235825 1412280056 /nfs/dbraw/zinc/28/00/56/1412280056.db2.gz YFDCUUJUERWEDF-INIZCTEOSA-N 1 0 383.448 3.225 20 5 GGBDRO C[C@@H]([NH2+]C1(CNC(=O)c2ccccc2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000113236945 1412280742 /nfs/dbraw/zinc/28/07/42/1412280742.db2.gz ZAZXILUZUYGRMX-MRXNPFEDSA-N 1 0 383.448 3.225 20 5 GGBDRO CC(C)[C@@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCOCC1 ZINC000113317064 1412291362 /nfs/dbraw/zinc/29/13/62/1412291362.db2.gz NGVDCARNISHZHK-GOSISDBHSA-N 1 0 390.509 3.165 20 5 GGBDRO COC(=O)N1CCC([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000113327797 1412293571 /nfs/dbraw/zinc/29/35/71/1412293571.db2.gz CQDYDQQZVQHKDX-UHFFFAOYSA-N 1 0 376.438 3.039 20 5 GGBDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000113343561 1412295545 /nfs/dbraw/zinc/29/55/45/1412295545.db2.gz MSJDIBQTGRBZHB-LBPRGKRZSA-N 1 0 387.383 3.295 20 5 GGBDRO Cn1cc(C[NH2+]CCC(=O)Nc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000113346685 1412295628 /nfs/dbraw/zinc/29/56/28/1412295628.db2.gz OMZQZOKFXCEJHB-UHFFFAOYSA-N 1 0 379.420 3.114 20 5 GGBDRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000113349324 1412296517 /nfs/dbraw/zinc/29/65/17/1412296517.db2.gz AWIBESJGBCYBKS-HNNXBMFYSA-N 1 0 391.493 3.276 20 5 GGBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000177229400 1428642372 /nfs/dbraw/zinc/64/23/72/1428642372.db2.gz XMWDTENHDJCNCB-UHFFFAOYSA-N 1 0 397.479 3.307 20 5 GGBDRO Cc1c(C(=O)Nc2ccc(C)cc2C[NH+](C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000113911841 1412350721 /nfs/dbraw/zinc/35/07/21/1412350721.db2.gz HLJZBUFZIBJZPH-UHFFFAOYSA-N 1 0 394.435 3.106 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000113945233 1412357475 /nfs/dbraw/zinc/35/74/75/1412357475.db2.gz CQFCUFXIEJZSCM-IRXDYDNUSA-N 1 0 395.525 3.178 20 5 GGBDRO COc1ccc(-c2ccc(CNCC3([NH+](C)C)CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000113959598 1412359075 /nfs/dbraw/zinc/35/90/75/1412359075.db2.gz JUOOQAXWACQFAQ-UHFFFAOYSA-N 1 0 389.452 3.064 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC000114192420 1412392030 /nfs/dbraw/zinc/39/20/30/1412392030.db2.gz LNUHECHRYBOUST-FQEVSTJZSA-N 1 0 383.448 3.214 20 5 GGBDRO Cc1c(C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000177249454 1428651169 /nfs/dbraw/zinc/65/11/69/1428651169.db2.gz PSSXHZCBOZEMGK-UHFFFAOYSA-N 1 0 390.440 3.338 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000114469789 1412440581 /nfs/dbraw/zinc/44/05/81/1412440581.db2.gz SITKWIIIMBNTKW-HXUWFJFHSA-N 1 0 383.448 3.214 20 5 GGBDRO O=[N+]([O-])c1cc(C[N@@H+](CCCO)[C@H]2CCc3ccccc32)c2c(c1)COCO2 ZINC000114469496 1412441361 /nfs/dbraw/zinc/44/13/61/1412441361.db2.gz ATTAQINQXMVVND-FQEVSTJZSA-N 1 0 384.432 3.333 20 5 GGBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114643104 1412484602 /nfs/dbraw/zinc/48/46/02/1412484602.db2.gz PHFAZDBKXDCXRC-GOSISDBHSA-N 1 0 383.448 3.145 20 5 GGBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114643108 1412485142 /nfs/dbraw/zinc/48/51/42/1412485142.db2.gz PHFAZDBKXDCXRC-SFHVURJKSA-N 1 0 383.448 3.145 20 5 GGBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCN(CCc2ccccn2)CC1 ZINC000177261319 1428659157 /nfs/dbraw/zinc/65/91/57/1428659157.db2.gz DLUFIJDWFRTWSN-UHFFFAOYSA-N 1 0 384.480 3.008 20 5 GGBDRO C[C@H](NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000114748813 1412517920 /nfs/dbraw/zinc/51/79/20/1412517920.db2.gz IKJKSOUJSXUMON-KKUMJFAQSA-N 1 0 399.447 3.283 20 5 GGBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000114748848 1412517999 /nfs/dbraw/zinc/51/79/99/1412517999.db2.gz SDDDLFVIALHSJX-GJZGRUSLSA-N 1 0 396.447 3.399 20 5 GGBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000114941058 1412553230 /nfs/dbraw/zinc/55/32/30/1412553230.db2.gz HDFUVINTMKWKND-UHFFFAOYSA-N 1 0 384.480 3.219 20 5 GGBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000115254587 1412622032 /nfs/dbraw/zinc/62/20/32/1412622032.db2.gz BUXMNELKHQOGQS-UHFFFAOYSA-N 1 0 390.440 3.148 20 5 GGBDRO Cc1c(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000115255236 1412622503 /nfs/dbraw/zinc/62/25/03/1412622503.db2.gz BMOIHLSCKYVZFL-UHFFFAOYSA-N 1 0 390.440 3.148 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000115271082 1412628146 /nfs/dbraw/zinc/62/81/46/1412628146.db2.gz KDUJUICTMNRYEX-DYVFJYSZSA-N 1 0 383.876 3.115 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H](C)C1 ZINC000115275371 1412631455 /nfs/dbraw/zinc/63/14/55/1412631455.db2.gz VSZBXVLYUKIAFS-CXAGYDPISA-N 1 0 383.876 3.115 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@H](C)C1 ZINC000115521276 1412700022 /nfs/dbraw/zinc/70/00/22/1412700022.db2.gz DFDYMZWKXZKTTM-GDBMZVCRSA-N 1 0 390.484 3.028 20 5 GGBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000115837911 1412800703 /nfs/dbraw/zinc/80/07/03/1412800703.db2.gz RFJGLVACRVESGO-UHFFFAOYSA-N 1 0 386.496 3.286 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000115859369 1412803096 /nfs/dbraw/zinc/80/30/96/1412803096.db2.gz BSJPVNZUDVVOOK-UHFFFAOYSA-N 1 0 383.448 3.170 20 5 GGBDRO C[C@H]1CCC[C@@](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)([NH+](C)C)C1 ZINC000115916232 1412814724 /nfs/dbraw/zinc/81/47/24/1412814724.db2.gz QPICDCLWWPJAGS-OXJNMPFZSA-N 1 0 376.501 3.414 20 5 GGBDRO Cc1nn(CCC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c(C)c1[N+](=O)[O-] ZINC000116064834 1412827032 /nfs/dbraw/zinc/82/70/32/1412827032.db2.gz JDXYQVFCFYTSDQ-MRXNPFEDSA-N 1 0 399.495 3.140 20 5 GGBDRO C[NH+](C)CC[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(C)(C)C ZINC000116126682 1412834405 /nfs/dbraw/zinc/83/44/05/1412834405.db2.gz VXAKGYBTQHNESG-IBGZPJMESA-N 1 0 390.528 3.294 20 5 GGBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000116216033 1412843866 /nfs/dbraw/zinc/84/38/66/1412843866.db2.gz ZYRZSCFNJFRRPX-CYBMUJFWSA-N 1 0 386.427 3.272 20 5 GGBDRO Cc1cc(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000116454547 1412862375 /nfs/dbraw/zinc/86/23/75/1412862375.db2.gz BGPMMIFXDWKCEE-HNNXBMFYSA-N 1 0 382.464 3.441 20 5 GGBDRO CCCc1n[nH]c(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000116454691 1412862454 /nfs/dbraw/zinc/86/24/54/1412862454.db2.gz GGXSLFOUHVMUGC-CQSZACIVSA-N 1 0 385.468 3.226 20 5 GGBDRO CCCc1n[nH]c(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000116454688 1412862461 /nfs/dbraw/zinc/86/24/61/1412862461.db2.gz GGXSLFOUHVMUGC-AWEZNQCLSA-N 1 0 385.468 3.226 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000116618437 1412887647 /nfs/dbraw/zinc/88/76/47/1412887647.db2.gz QQBAMWGPDUPNAF-KRWDZBQOSA-N 1 0 391.855 3.436 20 5 GGBDRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1Cl ZINC000116817617 1412930094 /nfs/dbraw/zinc/93/00/94/1412930094.db2.gz RMLLBUUCSAGKMG-UHFFFAOYSA-N 1 0 378.816 3.023 20 5 GGBDRO COc1cc(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000116817074 1412930523 /nfs/dbraw/zinc/93/05/23/1412930523.db2.gz OUJMPGCJDAMPPW-UHFFFAOYSA-N 1 0 393.827 3.450 20 5 GGBDRO Cc1ccc(OC2CC[NH+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000116883317 1412948754 /nfs/dbraw/zinc/94/87/54/1412948754.db2.gz FWQGMWDNRZLFMF-SFHVURJKSA-N 1 0 386.448 3.186 20 5 GGBDRO Cc1ccccc1OCC[N@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117334268 1413026560 /nfs/dbraw/zinc/02/65/60/1413026560.db2.gz OWDRQQQRHSZGOR-UHFFFAOYSA-N 1 0 385.420 3.212 20 5 GGBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000117336113 1413026695 /nfs/dbraw/zinc/02/66/95/1413026695.db2.gz CLICUDBWYDCYNY-UHFFFAOYSA-N 1 0 396.447 3.105 20 5 GGBDRO CC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)Cc1ccc2c(c1)OCO2 ZINC000117334605 1413026925 /nfs/dbraw/zinc/02/69/25/1413026925.db2.gz PIKHQZQWUCHYFT-UHFFFAOYSA-N 1 0 399.403 3.144 20 5 GGBDRO COc1ccccc1C(C)(C)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117339112 1413027429 /nfs/dbraw/zinc/02/74/29/1413027429.db2.gz FHQPXPXIFWNHCO-UHFFFAOYSA-N 1 0 385.420 3.426 20 5 GGBDRO COc1ccc(C[N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)cc1C ZINC000117338994 1413027831 /nfs/dbraw/zinc/02/78/31/1413027831.db2.gz CZNHBMCHOBXXQL-UHFFFAOYSA-N 1 0 385.420 3.342 20 5 GGBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCc2ccccc2C1 ZINC000117341976 1413027869 /nfs/dbraw/zinc/02/78/69/1413027869.db2.gz OIYSCKKDAVRBPS-QGZVFWFLSA-N 1 0 381.432 3.382 20 5 GGBDRO CCCO[C@@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000117340580 1413028039 /nfs/dbraw/zinc/02/80/39/1413028039.db2.gz XEWDBRXRQYUZLG-MRXNPFEDSA-N 1 0 377.441 3.174 20 5 GGBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])c(C)c2)CC1 ZINC000117499714 1413043590 /nfs/dbraw/zinc/04/35/90/1413043590.db2.gz AGYSWKVXZQOOEL-UHFFFAOYSA-N 1 0 386.427 3.437 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1cccc(F)c1 ZINC000117746594 1413074195 /nfs/dbraw/zinc/07/41/95/1413074195.db2.gz IJDLTPCMNNNLJA-KRWDZBQOSA-N 1 0 379.819 3.349 20 5 GGBDRO COc1cccc([C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[NH+](C)C)c1 ZINC000117746646 1413074285 /nfs/dbraw/zinc/07/42/85/1413074285.db2.gz USXWNVOLBOTVKG-GOSISDBHSA-N 1 0 391.855 3.218 20 5 GGBDRO O=C(NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000118746618 1413214691 /nfs/dbraw/zinc/21/46/91/1413214691.db2.gz HVRDJEPOUORDKR-UHFFFAOYSA-N 1 0 393.827 3.114 20 5 GGBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000118766802 1413216983 /nfs/dbraw/zinc/21/69/83/1413216983.db2.gz LVJQELYXQDWHMF-UHFFFAOYSA-N 1 0 395.887 3.242 20 5 GGBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000118828554 1413234839 /nfs/dbraw/zinc/23/48/39/1413234839.db2.gz KFCQTAKQWMVWIF-HIFRSBDPSA-N 1 0 380.876 3.135 20 5 GGBDRO Cc1c(NC(=O)CC[NH+]2CCN([C@H](C)c3cccnc3)CC2)cccc1[N+](=O)[O-] ZINC000118835512 1413237337 /nfs/dbraw/zinc/23/73/37/1413237337.db2.gz XUCHXTXIICUXEN-QGZVFWFLSA-N 1 0 397.479 3.006 20 5 GGBDRO O=C(CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccccc1Cl ZINC000118866457 1413253528 /nfs/dbraw/zinc/25/35/28/1413253528.db2.gz ROTYVRBTEWRZRV-ZDUSSCGKSA-N 1 0 389.843 3.158 20 5 GGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCCc3nc(-c4ccccc4)no3)C2)nc1 ZINC000118866024 1413254158 /nfs/dbraw/zinc/25/41/58/1413254158.db2.gz CYSYNDKCNRTSKQ-INIZCTEOSA-N 1 0 394.435 3.159 20 5 GGBDRO O=C(CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1cccc(Cl)c1 ZINC000118866178 1413254336 /nfs/dbraw/zinc/25/43/36/1413254336.db2.gz YKSAMOPHIWWERJ-HNNXBMFYSA-N 1 0 389.843 3.158 20 5 GGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(CC[NH+](C)C)CC1 ZINC000118868177 1413254802 /nfs/dbraw/zinc/25/48/02/1413254802.db2.gz ZAIFHVWHFKOVKV-ZDUSSCGKSA-N 1 0 382.892 3.239 20 5 GGBDRO COc1ccc(NC(=O)CC[NH+]2CCC(OC(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000119014105 1413303889 /nfs/dbraw/zinc/30/38/89/1413303889.db2.gz RMYANIWNMKFCLP-UHFFFAOYSA-N 1 0 379.457 3.212 20 5 GGBDRO CCCc1[nH]nc(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)c1[N+](=O)[O-] ZINC000119095486 1413334687 /nfs/dbraw/zinc/33/46/87/1413334687.db2.gz HSCCJBNVLJUKKQ-UHFFFAOYSA-N 1 0 395.847 3.117 20 5 GGBDRO Cc1cc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)ccc1OCC[NH+]1CCCC1 ZINC000119198747 1413373303 /nfs/dbraw/zinc/37/33/03/1413373303.db2.gz OEKRAXWKPDHQJW-UHFFFAOYSA-N 1 0 384.436 3.212 20 5 GGBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000119248634 1413388572 /nfs/dbraw/zinc/38/85/72/1413388572.db2.gz GLMSBTZRRVMYTH-RHSMWYFYSA-N 1 0 386.477 3.275 20 5 GGBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000119248775 1413388879 /nfs/dbraw/zinc/38/88/79/1413388879.db2.gz GLMSBTZRRVMYTH-PBHICJAKSA-N 1 0 386.477 3.275 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000119399583 1413434455 /nfs/dbraw/zinc/43/44/55/1413434455.db2.gz PODJDZMLXBSCQY-ZDUSSCGKSA-N 1 0 383.514 3.039 20 5 GGBDRO COC(=O)[C@@H](C)[C@@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000177417464 1428727767 /nfs/dbraw/zinc/72/77/67/1428727767.db2.gz CMTKRWNASNPDIJ-MGPUTAFESA-N 1 0 399.447 3.372 20 5 GGBDRO C[NH+](C)CCN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119514110 1413472360 /nfs/dbraw/zinc/47/23/60/1413472360.db2.gz XOKISWUIPXYEIS-UHFFFAOYSA-N 1 0 397.884 3.001 20 5 GGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(CC[NH+]3CCCC3)CC2)o1 ZINC000119521869 1413474062 /nfs/dbraw/zinc/47/40/62/1413474062.db2.gz AGLQECKWTQCTAJ-UHFFFAOYSA-N 1 0 384.480 3.068 20 5 GGBDRO C[C@@H]1CN(C(C)(C)C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)O1 ZINC000119567213 1413488682 /nfs/dbraw/zinc/48/86/82/1413488682.db2.gz LXVNBBYTKMXCAU-CALCHBBNSA-N 1 0 390.528 3.041 20 5 GGBDRO Cc1c(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000119570608 1413489333 /nfs/dbraw/zinc/48/93/33/1413489333.db2.gz UUYNGYRGNJHGQA-SCLBCKFNSA-N 1 0 398.419 3.062 20 5 GGBDRO C[C@H]([NH2+]C(C)(C)CNS(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000119711676 1413541635 /nfs/dbraw/zinc/54/16/35/1413541635.db2.gz KDZLOUSTZDFFCY-LBPRGKRZSA-N 1 0 383.495 3.064 20 5 GGBDRO COc1cc(C[N@H+](C)C[C@@H]2CCCOC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000119756704 1413556829 /nfs/dbraw/zinc/55/68/29/1413556829.db2.gz DHVSZKJZDCXBCJ-LBPRGKRZSA-N 1 0 392.374 3.403 20 5 GGBDRO COc1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)ccc1[N+](=O)[O-] ZINC000119760326 1413558542 /nfs/dbraw/zinc/55/85/42/1413558542.db2.gz IMOJDHGESWGULF-CQSZACIVSA-N 1 0 389.477 3.307 20 5 GGBDRO C[C@@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000119769748 1413562950 /nfs/dbraw/zinc/56/29/50/1413562950.db2.gz ANENZUPNQXXHJS-MRXNPFEDSA-N 1 0 382.464 3.349 20 5 GGBDRO COc1cc(N2CCC([NH2+]CCOc3ccccc3)CC2)c(F)cc1[N+](=O)[O-] ZINC000119787184 1413568791 /nfs/dbraw/zinc/56/87/91/1413568791.db2.gz HFQRUOSUGCXPAE-UHFFFAOYSA-N 1 0 389.427 3.380 20 5 GGBDRO CCOc1cc(C(=O)NC2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000177440904 1428738355 /nfs/dbraw/zinc/73/83/55/1428738355.db2.gz JALZYOFQLJCCPY-UHFFFAOYSA-N 1 0 391.468 3.139 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1cc(Cl)cn1C ZINC000120169845 1413715914 /nfs/dbraw/zinc/71/59/14/1413715914.db2.gz PMYAMJMAFFYUDX-UHFFFAOYSA-N 1 0 380.832 3.056 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000120205581 1413730910 /nfs/dbraw/zinc/73/09/10/1413730910.db2.gz DJSYDNFCWVCPQA-GOSISDBHSA-N 1 0 388.512 3.286 20 5 GGBDRO C[C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)CN1CCOCC1 ZINC000120247342 1413750793 /nfs/dbraw/zinc/75/07/93/1413750793.db2.gz KQXMDBBPYXVCMC-HNNXBMFYSA-N 1 0 375.494 3.381 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000120258114 1413756043 /nfs/dbraw/zinc/75/60/43/1413756043.db2.gz BUIMJNIBXOJLHV-UHFFFAOYSA-N 1 0 386.452 3.130 20 5 GGBDRO CN(CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)OC(C)(C)C ZINC000120294424 1413771700 /nfs/dbraw/zinc/77/17/00/1413771700.db2.gz PMMXJOUUDZDSGY-UHFFFAOYSA-N 1 0 392.500 3.410 20 5 GGBDRO C[NH+](C)CCNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000120312354 1413779198 /nfs/dbraw/zinc/77/91/98/1413779198.db2.gz VKRPTNLVIZOJTH-UHFFFAOYSA-N 1 0 376.844 3.152 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000120358929 1413801792 /nfs/dbraw/zinc/80/17/92/1413801792.db2.gz IEPAXZFVVWJMPU-SFHVURJKSA-N 1 0 398.463 3.100 20 5 GGBDRO COc1ccc(-c2ccc(C[NH2+]CCCNC(=O)C(C)C)o2)c([N+](=O)[O-])c1 ZINC000120415138 1413812846 /nfs/dbraw/zinc/81/28/46/1413812846.db2.gz DFBBGELAFJAVJY-UHFFFAOYSA-N 1 0 375.425 3.115 20 5 GGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000120470478 1413825337 /nfs/dbraw/zinc/82/53/37/1413825337.db2.gz MDUUEISPNPNSKX-SJCJKPOMSA-N 1 0 377.828 3.289 20 5 GGBDRO C[C@H]1C[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000177475845 1428758375 /nfs/dbraw/zinc/75/83/75/1428758375.db2.gz MHKXQAQDILHDJO-FUHWJXTLSA-N 1 0 382.464 3.176 20 5 GGBDRO Cc1ccc(NC(=O)C2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000120635224 1413861527 /nfs/dbraw/zinc/86/15/27/1413861527.db2.gz LGFIZINREOOIJB-UHFFFAOYSA-N 1 0 398.463 3.418 20 5 GGBDRO CCO[C@@H]1C[C@@H]([N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1(C)C ZINC000120650568 1413865702 /nfs/dbraw/zinc/86/57/02/1413865702.db2.gz COUBKAAXAZGODU-IAGOWNOFSA-N 1 0 377.441 3.028 20 5 GGBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000120736417 1413888720 /nfs/dbraw/zinc/88/87/20/1413888720.db2.gz WLBNBXBUZJKPNL-UHFFFAOYSA-N 1 0 379.420 3.403 20 5 GGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000120922109 1413948894 /nfs/dbraw/zinc/94/88/94/1413948894.db2.gz AYCJWIJOLOPESY-GJZGRUSLSA-N 1 0 395.525 3.326 20 5 GGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000120921771 1413948993 /nfs/dbraw/zinc/94/89/93/1413948993.db2.gz AYCJWIJOLOPESY-GASCZTMLSA-N 1 0 395.525 3.326 20 5 GGBDRO C[C@@H]1C[NH+](CCC2CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000177495107 1428768667 /nfs/dbraw/zinc/76/86/67/1428768667.db2.gz RUVNKFUHUMDIIC-HZPDHXFCSA-N 1 0 379.476 3.445 20 5 GGBDRO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC(C)(C)CN1CCOCC1 ZINC000121008329 1413975480 /nfs/dbraw/zinc/97/54/80/1413975480.db2.gz ZMHKMHVGAWRVHB-UHFFFAOYSA-N 1 0 388.468 3.040 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](Cc1ccccc1)[C@H](CO)C(C)C ZINC000121128178 1414018186 /nfs/dbraw/zinc/01/81/86/1414018186.db2.gz KGJIJFHMLUBPLX-LJQANCHMSA-N 1 0 385.464 3.361 20 5 GGBDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000121141174 1414022015 /nfs/dbraw/zinc/02/20/15/1414022015.db2.gz WEKLAIOVGFCWDT-GDBMZVCRSA-N 1 0 387.484 3.227 20 5 GGBDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000121141441 1414022316 /nfs/dbraw/zinc/02/23/16/1414022316.db2.gz WEKLAIOVGFCWDT-ZBFHGGJFSA-N 1 0 387.484 3.227 20 5 GGBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000121217175 1414046975 /nfs/dbraw/zinc/04/69/75/1414046975.db2.gz AVRGBDIOVZEIGL-UHFFFAOYSA-N 1 0 396.241 3.154 20 5 GGBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000121225694 1414049876 /nfs/dbraw/zinc/04/98/76/1414049876.db2.gz SBCQOZGIAUYNKY-UHFFFAOYSA-N 1 0 390.443 3.491 20 5 GGBDRO COc1ccc([C@@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000121244277 1414056680 /nfs/dbraw/zinc/05/66/80/1414056680.db2.gz YBMTXPBUNKNBCF-LJQANCHMSA-N 1 0 387.411 3.309 20 5 GGBDRO CCOc1cc(C(=O)N2CC[N@H+](C)CC23CCCCC3)c([N+](=O)[O-])cc1OC ZINC000177514393 1428777945 /nfs/dbraw/zinc/77/79/45/1428777945.db2.gz ABYGTSJNYNGTOB-UHFFFAOYSA-N 1 0 391.468 3.093 20 5 GGBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000121264371 1414064201 /nfs/dbraw/zinc/06/42/01/1414064201.db2.gz SRMCQVQNBOSJQB-CQSZACIVSA-N 1 0 377.466 3.259 20 5 GGBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000177532922 1428783926 /nfs/dbraw/zinc/78/39/26/1428783926.db2.gz BHJJZOOFWVRKLV-GFCCVEGCSA-N 1 0 384.383 3.146 20 5 GGBDRO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000121382118 1414101964 /nfs/dbraw/zinc/10/19/64/1414101964.db2.gz UCQBQKOWOMGCAH-LJQANCHMSA-N 1 0 379.460 3.392 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000121474281 1414139936 /nfs/dbraw/zinc/13/99/36/1414139936.db2.gz PNWWVMXGZWAPDB-CXAGYDPISA-N 1 0 383.876 3.115 20 5 GGBDRO COc1cccc([C@@H](CNc2cc(OC)c(OC)cc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000121528425 1414163285 /nfs/dbraw/zinc/16/32/85/1414163285.db2.gz ACAFCSVRWKLKNL-QGZVFWFLSA-N 1 0 375.425 3.335 20 5 GGBDRO O=[N+]([O-])c1ccc(OCCCN2CCOC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000121731156 1414239311 /nfs/dbraw/zinc/23/93/11/1414239311.db2.gz PTCUVLZAPZXFBF-SJLPKXTDSA-N 1 0 392.477 3.250 20 5 GGBDRO Cc1c(C(=O)N(CC[NH+](C)C)C2CCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000177560253 1428793814 /nfs/dbraw/zinc/79/38/14/1428793814.db2.gz GWMKWWATIBKBOM-UHFFFAOYSA-N 1 0 378.429 3.066 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000121826625 1414270617 /nfs/dbraw/zinc/27/06/17/1414270617.db2.gz XZEKSNDVSCXNDB-OAHLLOKOSA-N 1 0 395.525 3.328 20 5 GGBDRO O=C(C[C@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000121844840 1414276064 /nfs/dbraw/zinc/27/60/64/1414276064.db2.gz DAGVWTIZERDOAD-GDBMZVCRSA-N 1 0 390.461 3.133 20 5 GGBDRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000121866276 1414283738 /nfs/dbraw/zinc/28/37/38/1414283738.db2.gz BXLRKESVUMGLJT-NSHDSACASA-N 1 0 383.857 3.089 20 5 GGBDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000121947704 1414318402 /nfs/dbraw/zinc/31/84/02/1414318402.db2.gz KACZPMSDZAPUMU-OAHLLOKOSA-N 1 0 391.493 3.476 20 5 GGBDRO CCc1nc(C)c([C@H](C)[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000122075817 1414356330 /nfs/dbraw/zinc/35/63/30/1414356330.db2.gz BYYGHRIKRNRLRX-ZFWWWQNUSA-N 1 0 379.482 3.355 20 5 GGBDRO NC(=O)CC[N@H+](Cc1ccccc1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000122091841 1414361030 /nfs/dbraw/zinc/36/10/30/1414361030.db2.gz JAUYJGJSLAMFHC-UHFFFAOYSA-N 1 0 392.253 3.235 20 5 GGBDRO COC(=O)c1cc(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)oc1C ZINC000122378040 1414440122 /nfs/dbraw/zinc/44/01/22/1414440122.db2.gz XNSSENTXWNQBSR-UHFFFAOYSA-N 1 0 389.408 3.052 20 5 GGBDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)Cc3ccccc3[N+](=O)[O-])c2)CC1 ZINC000122491299 1414479596 /nfs/dbraw/zinc/47/95/96/1414479596.db2.gz LRFWPSNJBQNTJS-UHFFFAOYSA-N 1 0 382.464 3.306 20 5 GGBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000122509434 1414485477 /nfs/dbraw/zinc/48/54/77/1414485477.db2.gz SOZYQINMGXSADE-GJZGRUSLSA-N 1 0 382.464 3.063 20 5 GGBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCCC[N@@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000122523109 1414488907 /nfs/dbraw/zinc/48/89/07/1414488907.db2.gz CACCNMSJBVFYMV-UHFFFAOYSA-N 1 0 378.429 3.196 20 5 GGBDRO CC[NH+](CC)[C@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccco1 ZINC000122587419 1414509943 /nfs/dbraw/zinc/50/99/43/1414509943.db2.gz CAZNQKHWBFAEKS-GOSISDBHSA-N 1 0 386.452 3.339 20 5 GGBDRO CCN(C[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1)CC(F)(F)F ZINC000177636654 1428818318 /nfs/dbraw/zinc/81/83/18/1428818318.db2.gz CDAHSHQZFIIBIK-ZDUSSCGKSA-N 1 0 385.390 3.108 20 5 GGBDRO Cc1sc(S(=O)(=O)N(CCC[NH+](C)C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000122824689 1414574319 /nfs/dbraw/zinc/57/43/19/1414574319.db2.gz PCIQNXWJLVJGDT-UHFFFAOYSA-N 1 0 397.522 3.107 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000123011468 1414619195 /nfs/dbraw/zinc/61/91/95/1414619195.db2.gz CMZIHLHKOONUAY-KRWDZBQOSA-N 1 0 375.400 3.213 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000123033226 1414623813 /nfs/dbraw/zinc/62/38/13/1414623813.db2.gz PNFLNITURUPFCX-QGZVFWFLSA-N 1 0 398.463 3.290 20 5 GGBDRO NC(=O)c1ccc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)c([N+](=O)[O-])c1 ZINC000123110723 1414644128 /nfs/dbraw/zinc/64/41/28/1414644128.db2.gz UCHCNXSWEZQIKB-UHFFFAOYSA-N 1 0 397.431 3.024 20 5 GGBDRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000123124461 1414647462 /nfs/dbraw/zinc/64/74/62/1414647462.db2.gz UVJVHUMXWWWUDW-AWEZNQCLSA-N 1 0 387.436 3.161 20 5 GGBDRO COc1ccc(NC(=O)C[C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000123148353 1414653533 /nfs/dbraw/zinc/65/35/33/1414653533.db2.gz AWZYWFWRBHEJBG-AWEZNQCLSA-N 1 0 387.436 3.161 20 5 GGBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000123184453 1414663290 /nfs/dbraw/zinc/66/32/90/1414663290.db2.gz FLCUXLCTNHRIPC-LJQANCHMSA-N 1 0 382.464 3.425 20 5 GGBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000123188159 1414663739 /nfs/dbraw/zinc/66/37/39/1414663739.db2.gz RXZJEHFVGZAXNQ-GOSISDBHSA-N 1 0 382.420 3.165 20 5 GGBDRO Cc1c(NC(=O)[C@H](C)N2CCC(CCC[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000123581804 1414782922 /nfs/dbraw/zinc/78/29/22/1414782922.db2.gz METJUNKXOJLFIS-INIZCTEOSA-N 1 0 376.501 3.284 20 5 GGBDRO Cc1c(NC(=O)CC[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000123605082 1414792126 /nfs/dbraw/zinc/79/21/26/1414792126.db2.gz GKKYLABUQDVLJH-HZPDHXFCSA-N 1 0 393.509 3.218 20 5 GGBDRO Cc1c(NC(=O)CC[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000123604789 1414792241 /nfs/dbraw/zinc/79/22/41/1414792241.db2.gz GKKYLABUQDVLJH-CVEARBPZSA-N 1 0 393.509 3.218 20 5 GGBDRO COc1ccc(CSCC(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000123667753 1414806293 /nfs/dbraw/zinc/80/62/93/1414806293.db2.gz HQFHDSPSDQFDEO-OAHLLOKOSA-N 1 0 395.525 3.217 20 5 GGBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000123744287 1414818780 /nfs/dbraw/zinc/81/87/80/1414818780.db2.gz UIXPFEVKHZPIPK-IBGZPJMESA-N 1 0 382.464 3.425 20 5 GGBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000123749539 1414819599 /nfs/dbraw/zinc/81/95/99/1414819599.db2.gz UBKFBUYWIVHRAX-LJQANCHMSA-N 1 0 382.464 3.045 20 5 GGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](CO)Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000124151500 1414896012 /nfs/dbraw/zinc/89/60/12/1414896012.db2.gz AABLVDLHQJCJPQ-GOSISDBHSA-N 1 0 394.475 3.238 20 5 GGBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000124195167 1414905930 /nfs/dbraw/zinc/90/59/30/1414905930.db2.gz XFCFRDHHTPVXAM-KRWDZBQOSA-N 1 0 388.512 3.293 20 5 GGBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000124356915 1414948032 /nfs/dbraw/zinc/94/80/32/1414948032.db2.gz YQGCWTKMZODDEB-INIZCTEOSA-N 1 0 399.495 3.093 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000124584796 1414999642 /nfs/dbraw/zinc/99/96/42/1414999642.db2.gz HHCODJUAWKVEHI-HXUWFJFHSA-N 1 0 382.464 3.221 20 5 GGBDRO C[NH+](C)CCn1c(=O)oc2ccc(NCc3cc(Cl)ccc3[N+](=O)[O-])cc21 ZINC000124641812 1415011463 /nfs/dbraw/zinc/01/14/63/1415011463.db2.gz FSHDCYCSFCTSMH-UHFFFAOYSA-N 1 0 390.827 3.330 20 5 GGBDRO Cc1ccc([C@H](C)NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)cc1[N+](=O)[O-] ZINC000177851111 1428872592 /nfs/dbraw/zinc/87/25/92/1428872592.db2.gz SIUUZFUGTWHBEK-KRWDZBQOSA-N 1 0 396.491 3.142 20 5 GGBDRO Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)cc1[N+](=O)[O-] ZINC000177851291 1428873028 /nfs/dbraw/zinc/87/30/28/1428873028.db2.gz BVFKTPIMCUSPDC-KRWDZBQOSA-N 1 0 396.491 3.142 20 5 GGBDRO Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)cc1[N+](=O)[O-] ZINC000177851276 1428873102 /nfs/dbraw/zinc/87/31/02/1428873102.db2.gz BVFKTPIMCUSPDC-QGZVFWFLSA-N 1 0 396.491 3.142 20 5 GGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000125453349 1415203729 /nfs/dbraw/zinc/20/37/29/1415203729.db2.gz VYHNGALTDZBTEZ-UHFFFAOYSA-N 1 0 389.905 3.098 20 5 GGBDRO Cc1ccc([C@@H](C)NC(=O)CC2([NH+]3CCOCC3)CCCC2)cc1[N+](=O)[O-] ZINC000177876387 1428880041 /nfs/dbraw/zinc/88/00/41/1428880041.db2.gz VSDAJRHJIXMPFB-MRXNPFEDSA-N 1 0 375.469 3.116 20 5 GGBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1 ZINC000125809556 1415286906 /nfs/dbraw/zinc/28/69/06/1415286906.db2.gz LTDDKQRBNAUMLJ-SWLSCSKDSA-N 1 0 382.363 3.287 20 5 GGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC(=O)Nc1ccc(Cl)cc1 ZINC000177934505 1428894656 /nfs/dbraw/zinc/89/46/56/1428894656.db2.gz LEOMJPMFCRKCKY-LBPRGKRZSA-N 1 0 390.827 3.194 20 5 GGBDRO C[NH+](C)CCN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)C1CCCC1 ZINC000126149497 1415370502 /nfs/dbraw/zinc/37/05/02/1415370502.db2.gz VBKAYHZQQJTYQC-UHFFFAOYSA-N 1 0 384.274 3.304 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000126163216 1415373812 /nfs/dbraw/zinc/37/38/12/1415373812.db2.gz WGKQFSJFQSADJF-MRXNPFEDSA-N 1 0 397.475 3.454 20 5 GGBDRO Cc1c(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000126253520 1415395052 /nfs/dbraw/zinc/39/50/52/1415395052.db2.gz OYJLJXLBFAKCKN-CYBMUJFWSA-N 1 0 392.456 3.362 20 5 GGBDRO Cc1c(CC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000126435856 1415452891 /nfs/dbraw/zinc/45/28/91/1415452891.db2.gz OROASFCBABXNFU-IBGZPJMESA-N 1 0 381.476 3.426 20 5 GGBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000126469175 1415462120 /nfs/dbraw/zinc/46/21/20/1415462120.db2.gz ITAXORGEMGAIKW-FQEVSTJZSA-N 1 0 382.464 3.274 20 5 GGBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126727579 1415540787 /nfs/dbraw/zinc/54/07/87/1415540787.db2.gz YUNHTAWCVITMAO-OXQOHEQNSA-N 1 0 386.496 3.262 20 5 GGBDRO O=C(NC[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000178056880 1428959827 /nfs/dbraw/zinc/95/98/27/1428959827.db2.gz QLOPUSWORHWVIJ-QGZVFWFLSA-N 1 0 383.448 3.116 20 5 GGBDRO CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000126978059 1415623102 /nfs/dbraw/zinc/62/31/02/1415623102.db2.gz YDHCJXMAQIRXMP-UHFFFAOYSA-N 1 0 382.468 3.123 20 5 GGBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1 ZINC000127102129 1415660412 /nfs/dbraw/zinc/66/04/12/1415660412.db2.gz BCNVQWIMGUJRNR-UHFFFAOYSA-N 1 0 379.420 3.403 20 5 GGBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127220154 1415692435 /nfs/dbraw/zinc/69/24/35/1415692435.db2.gz FNRQXIGIYRJWNI-AWEZNQCLSA-N 1 0 386.477 3.276 20 5 GGBDRO COc1cc(CN2CCC[N@H+](Cc3ccccc3)CC2)c([N+](=O)[O-])cc1OC ZINC000127320402 1415735694 /nfs/dbraw/zinc/73/56/94/1415735694.db2.gz KUWMDAPJXLFWEK-UHFFFAOYSA-N 1 0 385.464 3.320 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000127594016 1415815798 /nfs/dbraw/zinc/81/57/98/1415815798.db2.gz RELVCUPZHLEEJO-UHFFFAOYSA-N 1 0 383.452 3.393 20 5 GGBDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000178184458 1429011975 /nfs/dbraw/zinc/01/19/75/1429011975.db2.gz NQVDSOVYPATAQC-UHFFFAOYSA-N 1 0 386.477 3.287 20 5 GGBDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)C[C@@H](C)O1 ZINC000178237782 1429027525 /nfs/dbraw/zinc/02/75/25/1429027525.db2.gz OSJQWVCTQAVZNC-ZIAGYGMSSA-N 1 0 381.498 3.008 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000178239274 1429028261 /nfs/dbraw/zinc/02/82/61/1429028261.db2.gz RDEFUXUSSYCBCX-CALCHBBNSA-N 1 0 389.496 3.255 20 5 GGBDRO COCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccccc1 ZINC000128223120 1415943578 /nfs/dbraw/zinc/94/35/78/1415943578.db2.gz IZPVUCSGJCLQCB-UHFFFAOYSA-N 1 0 375.400 3.211 20 5 GGBDRO COc1ccc(OCC[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000128234114 1415944742 /nfs/dbraw/zinc/94/47/42/1415944742.db2.gz AAGPYHRGMUSMRG-UHFFFAOYSA-N 1 0 391.399 3.082 20 5 GGBDRO O=C(CC[N@@H+](Cc1ccco1)C[C@@H]1CCCO1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128357503 1415970022 /nfs/dbraw/zinc/97/00/22/1415970022.db2.gz ZGRVUQYAHQARMM-INIZCTEOSA-N 1 0 391.399 3.337 20 5 GGBDRO O=C(CCN1CC[NH+](CC2CCCCC2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128378806 1415974874 /nfs/dbraw/zinc/97/48/74/1415974874.db2.gz NVXZKSIVMNVLCE-UHFFFAOYSA-N 1 0 392.475 3.260 20 5 GGBDRO COC(=O)c1cc([N+](=O)[O-])c(NC2CC[NH+](CCOC(C)C)CC2)cc1Cl ZINC000128396738 1415978370 /nfs/dbraw/zinc/97/83/70/1415978370.db2.gz HOGPJRXHZHNDOH-UHFFFAOYSA-N 1 0 399.875 3.336 20 5 GGBDRO CC[NH+](CC)[C@H](CNC(=O)c1c([N+](=O)[O-])c(C)nn1C)c1ccccc1Cl ZINC000128551928 1416011320 /nfs/dbraw/zinc/01/13/20/1416011320.db2.gz HIOXOZYWCADQPI-OAHLLOKOSA-N 1 0 393.875 3.103 20 5 GGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1c([N+](=O)[O-])c(C)nn1C)c1ccccc1Cl ZINC000128551661 1416011411 /nfs/dbraw/zinc/01/14/11/1416011411.db2.gz HIOXOZYWCADQPI-HNNXBMFYSA-N 1 0 393.875 3.103 20 5 GGBDRO Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)[NH+](C)C)cc1 ZINC000128826199 1416078836 /nfs/dbraw/zinc/07/88/36/1416078836.db2.gz VTOPLOYKYPKLRM-IBGZPJMESA-N 1 0 378.432 3.484 20 5 GGBDRO Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)[NH+](C)C)cc1 ZINC000128825973 1416078956 /nfs/dbraw/zinc/07/89/56/1416078956.db2.gz VTOPLOYKYPKLRM-LJQANCHMSA-N 1 0 378.432 3.484 20 5 GGBDRO O=C(CC[N@@H+](CCO)[C@H]1CCc2ccccc21)Nc1cc([N+](=O)[O-])ccc1F ZINC000128841369 1416082820 /nfs/dbraw/zinc/08/28/20/1416082820.db2.gz XQUJHNUTZPISOX-IBGZPJMESA-N 1 0 387.411 3.044 20 5 GGBDRO CCC1(CC)[C@H]([NH2+][C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1OC ZINC000178365552 1429061731 /nfs/dbraw/zinc/06/17/31/1429061731.db2.gz JFYNJBLVXFYPEN-VUCTXSBTSA-N 1 0 379.457 3.114 20 5 GGBDRO Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000129263559 1416182075 /nfs/dbraw/zinc/18/20/75/1416182075.db2.gz DLHRSIUNNQPUJC-IBGZPJMESA-N 1 0 398.419 3.378 20 5 GGBDRO C[C@@H]([NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)[C@@H]1CN(C)CCO1 ZINC000129313502 1416189687 /nfs/dbraw/zinc/18/96/87/1416189687.db2.gz NNVOOYFLYYACAB-IERDGZPVSA-N 1 0 384.480 3.171 20 5 GGBDRO C[C@H]([NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)[C@@H]1CN(C)CCO1 ZINC000129313267 1416189693 /nfs/dbraw/zinc/18/96/93/1416189693.db2.gz NNVOOYFLYYACAB-KKSFZXQISA-N 1 0 384.480 3.171 20 5 GGBDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000129642555 1416242033 /nfs/dbraw/zinc/24/20/33/1416242033.db2.gz JORZPXTZQJCVSW-UHFFFAOYSA-N 1 0 377.485 3.114 20 5 GGBDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000129647773 1416242658 /nfs/dbraw/zinc/24/26/58/1416242658.db2.gz HUADPXKYHTXRON-UHFFFAOYSA-N 1 0 377.485 3.114 20 5 GGBDRO CCOC(=O)c1ccnc(N2CCC(CCC[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000129689994 1416249042 /nfs/dbraw/zinc/24/90/42/1416249042.db2.gz DBTZKLKSFQNMMO-UHFFFAOYSA-N 1 0 390.484 3.259 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000129691614 1416249370 /nfs/dbraw/zinc/24/93/70/1416249370.db2.gz SCQFBRQSFYVUGC-YIONKMFJSA-N 1 0 397.431 3.409 20 5 GGBDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC000129731684 1416255031 /nfs/dbraw/zinc/25/50/31/1416255031.db2.gz WQNIRQIJFBYLQQ-LBPRGKRZSA-N 1 0 388.399 3.372 20 5 GGBDRO Cc1c(NC(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000129936839 1416287803 /nfs/dbraw/zinc/28/78/03/1416287803.db2.gz NEJAWHJCXAUFFU-HNNXBMFYSA-N 1 0 398.463 3.087 20 5 GGBDRO Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1[N+](=O)[O-] ZINC000129974006 1416294627 /nfs/dbraw/zinc/29/46/27/1416294627.db2.gz FCFOCDHFBZETKE-UHFFFAOYSA-N 1 0 383.448 3.360 20 5 GGBDRO O=C(CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccc2c(c1)OCO2 ZINC000130032526 1416305850 /nfs/dbraw/zinc/30/58/50/1416305850.db2.gz MGZQLXWCZPODRQ-UHFFFAOYSA-N 1 0 383.404 3.317 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3(CO)CCOCC3)o2)c(Cl)c1 ZINC000130115805 1416320956 /nfs/dbraw/zinc/32/09/56/1416320956.db2.gz NRIIPDCAGPJKTQ-UHFFFAOYSA-N 1 0 380.828 3.387 20 5 GGBDRO CC[NH+](CC)CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000130125105 1416323240 /nfs/dbraw/zinc/32/32/40/1416323240.db2.gz MYBFVNGYNIJGHA-UHFFFAOYSA-N 1 0 378.654 3.082 20 5 GGBDRO CCn1c(=O)c2cc3ccccc3cc2nc1SCCC[NH+]1CCN(C)CC1 ZINC000130170740 1416331678 /nfs/dbraw/zinc/33/16/78/1416331678.db2.gz PGIRSMGAUNKECV-UHFFFAOYSA-N 1 0 396.560 3.299 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)NC[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-])c1ccccn1 ZINC000130352117 1416363388 /nfs/dbraw/zinc/36/33/88/1416363388.db2.gz KTIQNXDUVHJESU-GOEBONIOSA-N 1 0 383.452 3.035 20 5 GGBDRO Cc1nccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000130433391 1416377293 /nfs/dbraw/zinc/37/72/93/1416377293.db2.gz DPPYGWQTMDRZMU-GFCCVEGCSA-N 1 0 379.848 3.102 20 5 GGBDRO Cc1nccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000130433163 1416377607 /nfs/dbraw/zinc/37/76/07/1416377607.db2.gz DPPYGWQTMDRZMU-LBPRGKRZSA-N 1 0 379.848 3.102 20 5 GGBDRO CCN(CC)[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000130577579 1416402643 /nfs/dbraw/zinc/40/26/43/1416402643.db2.gz KRQWTSIPIUOONQ-KRWDZBQOSA-N 1 0 397.522 3.159 20 5 GGBDRO CCN(CC)[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000130577821 1416402708 /nfs/dbraw/zinc/40/27/08/1416402708.db2.gz KRQWTSIPIUOONQ-QGZVFWFLSA-N 1 0 397.522 3.159 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C1CC1 ZINC000130671803 1416421934 /nfs/dbraw/zinc/42/19/34/1416421934.db2.gz SMWFIDVFEMZVQL-FQEVSTJZSA-N 1 0 382.464 3.277 20 5 GGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccccc3N3CCOCC3)CC2)cc1 ZINC000130739760 1416439586 /nfs/dbraw/zinc/43/95/86/1416439586.db2.gz LCHCCQJGBIYHQU-UHFFFAOYSA-N 1 0 397.475 3.475 20 5 GGBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@H](O)COc2cccc3[nH]ccc32)C2CC2)cc1 ZINC000130747474 1416441381 /nfs/dbraw/zinc/44/13/81/1416441381.db2.gz LRWFURGKVKMIBT-SFHVURJKSA-N 1 0 381.432 3.480 20 5 GGBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H](O)COc2cccc3[nH]ccc32)C2CC2)cc1 ZINC000130747292 1416441475 /nfs/dbraw/zinc/44/14/75/1416441475.db2.gz LRWFURGKVKMIBT-GOSISDBHSA-N 1 0 381.432 3.480 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCc1nnc2n1CCCCC2)C1CC1 ZINC000178524491 1429096782 /nfs/dbraw/zinc/09/67/82/1429096782.db2.gz STPWMQRXDFAZAF-SFHVURJKSA-N 1 0 383.496 3.456 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000130791076 1416451962 /nfs/dbraw/zinc/45/19/62/1416451962.db2.gz KFKDLOHOEAUSPK-QGZVFWFLSA-N 1 0 377.441 3.245 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000130790847 1416452074 /nfs/dbraw/zinc/45/20/74/1416452074.db2.gz KFKDLOHOEAUSPK-KRWDZBQOSA-N 1 0 377.441 3.245 20 5 GGBDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130801422 1416454218 /nfs/dbraw/zinc/45/42/18/1416454218.db2.gz NEURIFSIFKOSDE-UHFFFAOYSA-N 1 0 393.447 3.460 20 5 GGBDRO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000130842447 1416464934 /nfs/dbraw/zinc/46/49/34/1416464934.db2.gz UFOZGHPZQMZSQO-YJBOKZPZSA-N 1 0 382.464 3.302 20 5 GGBDRO CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 ZINC000130887948 1416475659 /nfs/dbraw/zinc/47/56/59/1416475659.db2.gz KJYFQGCULMUKST-UHFFFAOYSA-N 1 0 382.464 3.421 20 5 GGBDRO CS(=O)(=O)c1ccc(NCCNc2cc[nH+]c3ccccc23)c([N+](=O)[O-])c1 ZINC000131008512 1416495239 /nfs/dbraw/zinc/49/52/39/1416495239.db2.gz HQOGAYSWRBTRRD-UHFFFAOYSA-N 1 0 386.433 3.071 20 5 GGBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000131124552 1416512754 /nfs/dbraw/zinc/51/27/54/1416512754.db2.gz FDQMURNFJTWJIV-UHFFFAOYSA-N 1 0 384.461 3.246 20 5 GGBDRO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000131225668 1416526134 /nfs/dbraw/zinc/52/61/34/1416526134.db2.gz QKWNDUXQJQEVPX-HNNXBMFYSA-N 1 0 381.436 3.438 20 5 GGBDRO [NH3+]C[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000178569586 1429109244 /nfs/dbraw/zinc/10/92/44/1429109244.db2.gz WPXFJWQUBBJPQB-LBPRGKRZSA-N 1 0 375.812 3.461 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)Cc1ccccc1 ZINC000131404822 1416552225 /nfs/dbraw/zinc/55/22/25/1416552225.db2.gz AHZHHZXSACAHDO-NRFANRHFSA-N 1 0 396.491 3.442 20 5 GGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000131418039 1416554491 /nfs/dbraw/zinc/55/44/91/1416554491.db2.gz XALYRCDYOSIEEF-HNNXBMFYSA-N 1 0 383.452 3.097 20 5 GGBDRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)c(C(F)(F)F)c2)CC1 ZINC000131469541 1416562670 /nfs/dbraw/zinc/56/26/70/1416562670.db2.gz NQZYBDWTBRJPFY-UHFFFAOYSA-N 1 0 398.341 3.211 20 5 GGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000131751378 1416611713 /nfs/dbraw/zinc/61/17/13/1416611713.db2.gz CTSSIGDAMNFCLK-UHFFFAOYSA-N 1 0 383.448 3.136 20 5 GGBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000131970873 1416662954 /nfs/dbraw/zinc/66/29/54/1416662954.db2.gz HAFGBYBMAZRYCQ-UHFFFAOYSA-N 1 0 398.366 3.385 20 5 GGBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000132015333 1416674187 /nfs/dbraw/zinc/67/41/87/1416674187.db2.gz CREIAWFXPGRVPM-OAHLLOKOSA-N 1 0 385.468 3.055 20 5 GGBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000132066595 1416686712 /nfs/dbraw/zinc/68/67/12/1416686712.db2.gz DZAPTHAQYJLBFG-INIZCTEOSA-N 1 0 397.479 3.057 20 5 GGBDRO CC[N@H+](CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)C1CC1 ZINC000132071778 1416687911 /nfs/dbraw/zinc/68/79/11/1416687911.db2.gz FGXQPGCTCPIRMM-UHFFFAOYSA-N 1 0 390.665 3.225 20 5 GGBDRO Cc1ccc(CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)Cc2ccco2)cc1 ZINC000132276473 1416727705 /nfs/dbraw/zinc/72/77/05/1416727705.db2.gz KMOLIOMBRPLEBL-UHFFFAOYSA-N 1 0 381.432 3.403 20 5 GGBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C ZINC000132279411 1416728042 /nfs/dbraw/zinc/72/80/42/1416728042.db2.gz LLGBBMUZLKZDSG-INIZCTEOSA-N 1 0 395.525 3.184 20 5 GGBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000132348029 1416741873 /nfs/dbraw/zinc/74/18/73/1416741873.db2.gz SJJRKHUWMOECTN-UHFFFAOYSA-N 1 0 385.439 3.366 20 5 GGBDRO C[NH+](C)CCCC1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000132392736 1416750932 /nfs/dbraw/zinc/75/09/32/1416750932.db2.gz FNNUJRMJUNYENT-UHFFFAOYSA-N 1 0 376.501 3.367 20 5 GGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000132499478 1416773598 /nfs/dbraw/zinc/77/35/98/1416773598.db2.gz NSAORSGDQWAJQH-DOTOQJQBSA-N 1 0 391.493 3.186 20 5 GGBDRO C[C@H]([NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178648010 1429128301 /nfs/dbraw/zinc/12/83/01/1429128301.db2.gz AQOKZAXGZYGGAT-HNNXBMFYSA-N 1 0 383.448 3.146 20 5 GGBDRO C[C@@H]([NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178650522 1429129213 /nfs/dbraw/zinc/12/92/13/1429129213.db2.gz VBVLXKOBYFKPDB-QRWLVFNGSA-N 1 0 383.448 3.354 20 5 GGBDRO COc1cc(C(=O)N2CC[C@@H]([NH3+])C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000132656816 1416800710 /nfs/dbraw/zinc/80/07/10/1416800710.db2.gz GKNSHGNUAHNDOP-CYBMUJFWSA-N 1 0 391.811 3.222 20 5 GGBDRO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000178661438 1429131951 /nfs/dbraw/zinc/13/19/51/1429131951.db2.gz PXJOEXIBOYRXKK-DJJJIMSYSA-N 1 0 385.420 3.068 20 5 GGBDRO CCCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)CC1 ZINC000132998468 1416840056 /nfs/dbraw/zinc/84/00/56/1416840056.db2.gz AUFLITFORZRFBL-UHFFFAOYSA-N 1 0 378.429 3.114 20 5 GGBDRO O=C(c1ccoc1)N1CCC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000133225292 1416866845 /nfs/dbraw/zinc/86/68/45/1416866845.db2.gz VNRMMLXQCZGFIL-LJQANCHMSA-N 1 0 383.448 3.403 20 5 GGBDRO COC(=O)c1ccc(CNC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000178679469 1429138801 /nfs/dbraw/zinc/13/88/01/1429138801.db2.gz FNKQUOKOANDBIS-HUUCEWRRSA-N 1 0 399.447 3.045 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000178681090 1429138886 /nfs/dbraw/zinc/13/88/86/1429138886.db2.gz POCIORVXODDFAT-UONOGXRCSA-N 1 0 385.420 3.352 20 5 GGBDRO CCOC(=O)c1ccnc(N2CCC[N@H+](CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000133423719 1416888574 /nfs/dbraw/zinc/88/85/74/1416888574.db2.gz PVSNFEZABGDBEP-UHFFFAOYSA-N 1 0 390.484 3.259 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(CCC[NH+](C)C)CC2)cc1OC ZINC000133581040 1416909873 /nfs/dbraw/zinc/90/98/73/1416909873.db2.gz LGLIZXRPBIAWNN-UHFFFAOYSA-N 1 0 393.484 3.196 20 5 GGBDRO Cc1ccc(NC(=O)C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)cc1[N+](=O)[O-] ZINC000133601330 1416915657 /nfs/dbraw/zinc/91/56/57/1416915657.db2.gz IMNYMPWYZNATAG-UHFFFAOYSA-N 1 0 396.447 3.117 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)C1CC1 ZINC000133635224 1416926235 /nfs/dbraw/zinc/92/62/35/1416926235.db2.gz FDUDKZVQKVGIIA-BEFAXECRSA-N 1 0 392.402 3.224 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)C1CC1 ZINC000133634845 1416926618 /nfs/dbraw/zinc/92/66/18/1416926618.db2.gz FDUDKZVQKVGIIA-KXBFYZLASA-N 1 0 392.402 3.224 20 5 GGBDRO CN(C)S(=O)(=O)c1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000133777072 1416961131 /nfs/dbraw/zinc/96/11/31/1416961131.db2.gz UVNLEAJVUSPMGO-UHFFFAOYSA-N 1 0 389.477 3.010 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1[N+](=O)[O-] ZINC000178687427 1429141738 /nfs/dbraw/zinc/14/17/38/1429141738.db2.gz SFXWYWNYPUGJQT-GUYCJALGSA-N 1 0 384.392 3.268 20 5 GGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1[N+](=O)[O-] ZINC000178687386 1429142179 /nfs/dbraw/zinc/14/21/79/1429142179.db2.gz SFXWYWNYPUGJQT-CXAGYDPISA-N 1 0 384.392 3.268 20 5 GGBDRO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000133858501 1416979566 /nfs/dbraw/zinc/97/95/66/1416979566.db2.gz ONJNWDZKZRANPP-GOSISDBHSA-N 1 0 377.466 3.086 20 5 GGBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000133945609 1417000214 /nfs/dbraw/zinc/00/02/14/1417000214.db2.gz XHUFHWOBQVHQAQ-UHFFFAOYSA-N 1 0 385.342 3.411 20 5 GGBDRO C[NH+](C)CCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000134148870 1417029403 /nfs/dbraw/zinc/02/94/03/1417029403.db2.gz QEMCFBMJRRRUFD-UHFFFAOYSA-N 1 0 394.431 3.013 20 5 GGBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000134373671 1417062396 /nfs/dbraw/zinc/06/23/96/1417062396.db2.gz DGVNGACQDIKXQY-IRXDYDNUSA-N 1 0 396.875 3.138 20 5 GGBDRO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000134531516 1417083066 /nfs/dbraw/zinc/08/30/66/1417083066.db2.gz QSNXROUKYBHWQA-KRWDZBQOSA-N 1 0 382.464 3.463 20 5 GGBDRO C[C@H](CCS(C)(=O)=O)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000134594207 1417093706 /nfs/dbraw/zinc/09/37/06/1417093706.db2.gz BJUJRCMGNQCVBE-CYBMUJFWSA-N 1 0 396.440 3.439 20 5 GGBDRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000134651653 1417106114 /nfs/dbraw/zinc/10/61/14/1417106114.db2.gz HQZVNJPTXPUBPK-LSDHHAIUSA-N 1 0 379.457 3.351 20 5 GGBDRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000134669155 1417110725 /nfs/dbraw/zinc/11/07/25/1417110725.db2.gz YNYMRJXQJABAJI-LSDHHAIUSA-N 1 0 379.457 3.351 20 5 GGBDRO CSc1ccc(C(=O)c2ccccc2C(=O)NC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000178726951 1429153618 /nfs/dbraw/zinc/15/36/18/1429153618.db2.gz PNCHQXFMTSTRGO-AWEZNQCLSA-N 1 0 399.472 3.030 20 5 GGBDRO C[NH+](C)CCOc1ccccc1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134715316 1417116501 /nfs/dbraw/zinc/11/65/01/1417116501.db2.gz ZVMGDANVEBPBEJ-UHFFFAOYSA-N 1 0 377.828 3.119 20 5 GGBDRO O=C(CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000134863993 1417135829 /nfs/dbraw/zinc/13/58/29/1417135829.db2.gz PUGSFBYRPLTFFO-DYVFJYSZSA-N 1 0 392.887 3.135 20 5 GGBDRO Cc1c(NC(=O)[C@@H](C)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000134889993 1417140800 /nfs/dbraw/zinc/14/08/00/1417140800.db2.gz JOSJGTVTQDXKFQ-JXXFODFXSA-N 1 0 386.496 3.179 20 5 GGBDRO O=c1cc(C[NH+]2CCC(N3CCCNC3=O)CC2)c2c(ccc3ccccc32)o1 ZINC000135419549 1417217865 /nfs/dbraw/zinc/21/78/65/1417217865.db2.gz MEQIDURTIZHWJJ-UHFFFAOYSA-N 1 0 391.471 3.326 20 5 GGBDRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000135633803 1417251578 /nfs/dbraw/zinc/25/15/78/1417251578.db2.gz POJAIVPXTQVQRW-UHFFFAOYSA-N 1 0 389.839 3.457 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000135995424 1417284730 /nfs/dbraw/zinc/28/47/30/1417284730.db2.gz MEEMGNUJLJUHAU-GJZGRUSLSA-N 1 0 395.525 3.184 20 5 GGBDRO C[NH+](C)Cc1ccc(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1F ZINC000136231271 1417303379 /nfs/dbraw/zinc/30/33/79/1417303379.db2.gz ANFQLKLDCYOEQW-UHFFFAOYSA-N 1 0 386.427 3.063 20 5 GGBDRO C[C@H]([NH3+])C1CCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000178805753 1429175702 /nfs/dbraw/zinc/17/57/02/1429175702.db2.gz HIOFGMLWIBELHH-GJZGRUSLSA-N 1 0 397.479 3.362 20 5 GGBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000136852803 1417350820 /nfs/dbraw/zinc/35/08/20/1417350820.db2.gz PKNQXZRIALSEGA-GOSISDBHSA-N 1 0 386.452 3.257 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000136994385 1417360613 /nfs/dbraw/zinc/36/06/13/1417360613.db2.gz NATGKVCMGOXSLY-MRXNPFEDSA-N 1 0 393.509 3.034 20 5 GGBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000137076709 1417366492 /nfs/dbraw/zinc/36/64/92/1417366492.db2.gz ULJBDQDJNNWSTF-IBGZPJMESA-N 1 0 375.856 3.099 20 5 GGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000137068619 1417366673 /nfs/dbraw/zinc/36/66/73/1417366673.db2.gz GVKMWTFZXWHEMV-LJQANCHMSA-N 1 0 387.392 3.080 20 5 GGBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000137076743 1417366840 /nfs/dbraw/zinc/36/68/40/1417366840.db2.gz ULJBDQDJNNWSTF-LJQANCHMSA-N 1 0 375.856 3.099 20 5 GGBDRO COc1cc(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000137458307 1417386968 /nfs/dbraw/zinc/38/69/68/1417386968.db2.gz AKAXIQVAFWKAQI-HOCLYGCPSA-N 1 0 399.447 3.005 20 5 GGBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000137846531 1417397712 /nfs/dbraw/zinc/39/77/12/1417397712.db2.gz QXIYMNNYLDFJQH-GUYCJALGSA-N 1 0 398.419 3.204 20 5 GGBDRO CCc1ccc([C@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000137970648 1417399937 /nfs/dbraw/zinc/39/99/37/1417399937.db2.gz ZOLMJYIWTONSBS-IBGZPJMESA-N 1 0 381.436 3.109 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000138257416 1417408893 /nfs/dbraw/zinc/40/88/93/1417408893.db2.gz KZJBLFUBCFGUFJ-HUUCEWRRSA-N 1 0 395.525 3.184 20 5 GGBDRO C[NH+](C)CCOc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000139228336 1417453133 /nfs/dbraw/zinc/45/31/33/1417453133.db2.gz LNMUOPSUNUBDRD-UHFFFAOYSA-N 1 0 377.828 3.119 20 5 GGBDRO C[C@@H]([NH3+])C1CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000178832253 1429186667 /nfs/dbraw/zinc/18/66/67/1429186667.db2.gz AJHRGDPSUVWTDZ-LLVKDONJSA-N 1 0 388.390 3.001 20 5 GGBDRO Cc1cccc([C@H]2CCC[N@@H+]2CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)n1 ZINC000140212854 1417492844 /nfs/dbraw/zinc/49/28/44/1417492844.db2.gz PHVAFVYGWLEQAI-QGZVFWFLSA-N 1 0 382.420 3.433 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000140301988 1417497358 /nfs/dbraw/zinc/49/73/58/1417497358.db2.gz FTQCKXHKZDSGTR-GOSISDBHSA-N 1 0 384.436 3.473 20 5 GGBDRO O=C(CN1CC[NH+](C2CCCCC2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000141775629 1417555345 /nfs/dbraw/zinc/55/53/45/1417555345.db2.gz QRLHSCHWSKUCCN-UHFFFAOYSA-N 1 0 380.876 3.137 20 5 GGBDRO O=C(CN1CC[NH+](C2CCCCC2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000141788079 1417556842 /nfs/dbraw/zinc/55/68/42/1417556842.db2.gz FMVMPACATSEOQK-UHFFFAOYSA-N 1 0 380.876 3.137 20 5 GGBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000178864153 1429201601 /nfs/dbraw/zinc/20/16/01/1429201601.db2.gz GTYIQCFHGVPSCZ-BZUAXINKSA-N 1 0 388.512 3.277 20 5 GGBDRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000145735756 1417698417 /nfs/dbraw/zinc/69/84/17/1417698417.db2.gz FQQKSCFPAJVHFB-UHFFFAOYSA-N 1 0 399.476 3.175 20 5 GGBDRO CNc1ccc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1[N+](=O)[O-] ZINC000145798446 1417700645 /nfs/dbraw/zinc/70/06/45/1417700645.db2.gz SBDADXSRFYWRAM-UHFFFAOYSA-N 1 0 388.493 3.340 20 5 GGBDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC000147101840 1417738449 /nfs/dbraw/zinc/73/84/49/1417738449.db2.gz TWDYEBFSIIFNMY-UHFFFAOYSA-N 1 0 398.463 3.227 20 5 GGBDRO CN(C(=O)c1csc([N+](=O)[O-])c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000178877051 1429207582 /nfs/dbraw/zinc/20/75/82/1429207582.db2.gz YLZZOMVEMZIXRI-IRXDYDNUSA-N 1 0 394.541 3.066 20 5 GGBDRO CCCN(C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000178885354 1429210828 /nfs/dbraw/zinc/21/08/28/1429210828.db2.gz PJWJNNFWLWIUHL-DOTOQJQBSA-N 1 0 397.479 3.377 20 5 GGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000149624784 1417778406 /nfs/dbraw/zinc/77/84/06/1417778406.db2.gz LGDHVRGUPFJGMJ-IAGOWNOFSA-N 1 0 399.495 3.268 20 5 GGBDRO COc1cc(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000149625772 1417778653 /nfs/dbraw/zinc/77/86/53/1417778653.db2.gz AAUZXHDXDVLHIH-GASCZTMLSA-N 1 0 393.484 3.100 20 5 GGBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150739247 1417795906 /nfs/dbraw/zinc/79/59/06/1417795906.db2.gz WCLKAXQYQOLFPE-GOEBONIOSA-N 1 0 395.887 3.492 20 5 GGBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150744740 1417796638 /nfs/dbraw/zinc/79/66/38/1417796638.db2.gz IQYMHTZTBKAFCH-MRXNPFEDSA-N 1 0 395.887 3.494 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1OC ZINC000150759402 1417801754 /nfs/dbraw/zinc/80/17/54/1417801754.db2.gz ABDDOCYIXKCHHM-HNNXBMFYSA-N 1 0 391.468 3.093 20 5 GGBDRO COc1cc(CN2CC[C@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000150762591 1417802334 /nfs/dbraw/zinc/80/23/34/1417802334.db2.gz ZEBHISPOBYPXPK-CYBMUJFWSA-N 1 0 385.411 3.123 20 5 GGBDRO Cn1ccnc1C(=O)c1ccc(N2CCC[C@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000150895202 1417829645 /nfs/dbraw/zinc/82/96/45/1417829645.db2.gz FFDKACKDBRNTBK-KRWDZBQOSA-N 1 0 397.479 3.014 20 5 GGBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000150901894 1417831145 /nfs/dbraw/zinc/83/11/45/1417831145.db2.gz CQUKVGADSZPCBJ-IAGOWNOFSA-N 1 0 381.476 3.410 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000150940234 1417840301 /nfs/dbraw/zinc/84/03/01/1417840301.db2.gz OJHDSFFLJFNRJX-HOTGVXAUSA-N 1 0 397.475 3.490 20 5 GGBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000150981244 1417848742 /nfs/dbraw/zinc/84/87/42/1417848742.db2.gz MCMZEFJYTLJJGA-UHFFFAOYSA-N 1 0 395.463 3.429 20 5 GGBDRO C[NH+](C)CCn1ccc2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc21 ZINC000151001263 1417852902 /nfs/dbraw/zinc/85/29/02/1417852902.db2.gz JNUGICOEEWMJDL-UHFFFAOYSA-N 1 0 382.420 3.129 20 5 GGBDRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000151243930 1417901787 /nfs/dbraw/zinc/90/17/87/1417901787.db2.gz JWIGFEIXGYPSDW-UHFFFAOYSA-N 1 0 388.859 3.096 20 5 GGBDRO COc1ccc(-c2ccc(C[NH2+][C@H](C)CO[C@H]3CCOC3)o2)c([N+](=O)[O-])c1 ZINC000151252692 1417904403 /nfs/dbraw/zinc/90/44/03/1417904403.db2.gz AJPPJCSOFUBVEM-CJNGLKHVSA-N 1 0 376.409 3.147 20 5 GGBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)c1 ZINC000151255341 1417904994 /nfs/dbraw/zinc/90/49/94/1417904994.db2.gz FVHPHLPYTUUYRL-UHFFFAOYSA-N 1 0 387.827 3.209 20 5 GGBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)c1 ZINC000151263187 1417907843 /nfs/dbraw/zinc/90/78/43/1417907843.db2.gz BLPJGSFMHQPGNB-UHFFFAOYSA-N 1 0 394.460 3.495 20 5 GGBDRO COc1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1OCc1ccccc1 ZINC000151287445 1417915839 /nfs/dbraw/zinc/91/58/39/1417915839.db2.gz QFCYSKKJDSFPBS-UHFFFAOYSA-N 1 0 382.420 3.169 20 5 GGBDRO Cc1cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc(C)c1OCc1ccccn1 ZINC000151289973 1417916982 /nfs/dbraw/zinc/91/69/82/1417916982.db2.gz PCKDOCQLZQPNPO-UHFFFAOYSA-N 1 0 381.436 3.172 20 5 GGBDRO Cn1cc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000151376591 1417941841 /nfs/dbraw/zinc/94/18/41/1417941841.db2.gz BAOSLUSERSXTRC-APWZRJJASA-N 1 0 388.493 3.140 20 5 GGBDRO COCc1nc2n(n1)C[C@@H]([NH2+]Cc1ccc(-c3ccccc3[N+](=O)[O-])s1)CC2 ZINC000151549421 1418021359 /nfs/dbraw/zinc/02/13/59/1418021359.db2.gz YSFGNRPFJPCMCI-ZDUSSCGKSA-N 1 0 399.476 3.166 20 5 GGBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000151725139 1418071935 /nfs/dbraw/zinc/07/19/35/1418071935.db2.gz KWSFNGYHZUMZQX-FQEVSTJZSA-N 1 0 381.476 3.208 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC2)c1 ZINC000151956688 1418104551 /nfs/dbraw/zinc/10/45/51/1418104551.db2.gz HOPJURCHYXSFGN-UHFFFAOYSA-N 1 0 390.528 3.355 20 5 GGBDRO CC(C)NC(=O)c1ccc(NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000151973593 1418109443 /nfs/dbraw/zinc/10/94/43/1418109443.db2.gz SLJSDZQQXSQYEY-IYBDPMFKSA-N 1 0 392.500 3.034 20 5 GGBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c1 ZINC000152023303 1418122986 /nfs/dbraw/zinc/12/29/86/1418122986.db2.gz WGQAFVCSIPGCFV-UHFFFAOYSA-N 1 0 395.525 3.013 20 5 GGBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cccc1[N+](=O)[O-] ZINC000152247879 1418183224 /nfs/dbraw/zinc/18/32/24/1418183224.db2.gz QCUBDCTWRMWBPA-HNNXBMFYSA-N 1 0 398.467 3.107 20 5 GGBDRO COc1ccc([C@@H](CNC(=O)c2cc(C)ccc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000152265457 1418189335 /nfs/dbraw/zinc/18/93/35/1418189335.db2.gz KZARDNRAXROGJO-HXUWFJFHSA-N 1 0 383.448 3.479 20 5 GGBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC1CC[NH+](CC2CCCC2)CC1 ZINC000179179291 1429286858 /nfs/dbraw/zinc/28/68/58/1429286858.db2.gz BYQYPCWZGABELH-UHFFFAOYSA-N 1 0 384.480 3.389 20 5 GGBDRO O=[N+]([O-])c1c(NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)ccc2ncccc21 ZINC000179261259 1429307883 /nfs/dbraw/zinc/30/78/83/1429307883.db2.gz LCKDWNMRKFXVBZ-SJORKVTESA-N 1 0 378.432 3.190 20 5 GGBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000179450572 1429381270 /nfs/dbraw/zinc/38/12/70/1429381270.db2.gz JNMHPXYDOWAMJH-JLTOFOAXSA-N 1 0 382.464 3.094 20 5 GGBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2cccc(C[NH+]3CCCC3)c2)s1 ZINC000179567769 1429439374 /nfs/dbraw/zinc/43/93/74/1429439374.db2.gz BQWDZFXAINZXDA-UHFFFAOYSA-N 1 0 395.506 3.268 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@H](OCCO)C3)o2)c(Cl)c1 ZINC000179570032 1429440101 /nfs/dbraw/zinc/44/01/01/1429440101.db2.gz QZJIAVVHMAKSAY-AWEZNQCLSA-N 1 0 380.828 3.482 20 5 GGBDRO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccc(OC(F)F)c1 ZINC000179586447 1429455079 /nfs/dbraw/zinc/45/50/79/1429455079.db2.gz XZGKPNIMTILMQI-LBPRGKRZSA-N 1 0 391.374 3.436 20 5 GGBDRO COc1cc(C)c([C@H](C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1OC ZINC000179621319 1429474658 /nfs/dbraw/zinc/47/46/58/1429474658.db2.gz KBLZBULVRHIHLT-AWEZNQCLSA-N 1 0 399.447 3.160 20 5 GGBDRO COCC[NH2+]CCNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000152346937 1422079926 /nfs/dbraw/zinc/07/99/26/1422079926.db2.gz STSVCWIMLPQUBF-UHFFFAOYSA-N 1 0 393.827 3.006 20 5 GGBDRO C[C@@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[N@@H+]1CCc2ccccc2C1 ZINC000152438726 1422103098 /nfs/dbraw/zinc/10/30/98/1422103098.db2.gz GHMBQHQMGQJRIC-INIZCTEOSA-N 1 0 394.475 3.109 20 5 GGBDRO CN(C(=O)C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000179741818 1429532138 /nfs/dbraw/zinc/53/21/38/1429532138.db2.gz LCTMBSYNKZQAJV-NRFANRHFSA-N 1 0 397.431 3.070 20 5 GGBDRO COc1cccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[NH+](C)C)c1 ZINC000152532392 1422133589 /nfs/dbraw/zinc/13/35/89/1422133589.db2.gz XDXQTRLJWMAITD-QGZVFWFLSA-N 1 0 377.828 3.290 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)NCC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000152618856 1422168660 /nfs/dbraw/zinc/16/86/60/1422168660.db2.gz BFHIEUFRAJOWCB-JKSUJKDBSA-N 1 0 397.479 3.282 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179748045 1429536147 /nfs/dbraw/zinc/53/61/47/1429536147.db2.gz FSVLKDJRRWQGJG-OAQYLSRUSA-N 1 0 397.431 3.354 20 5 GGBDRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000152710208 1422218808 /nfs/dbraw/zinc/21/88/08/1422218808.db2.gz KDNOCAWNENOMSO-NRFANRHFSA-N 1 0 394.475 3.500 20 5 GGBDRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000152710104 1422219573 /nfs/dbraw/zinc/21/95/73/1422219573.db2.gz KDNOCAWNENOMSO-OAQYLSRUSA-N 1 0 394.475 3.500 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000152769008 1422242163 /nfs/dbraw/zinc/24/21/63/1422242163.db2.gz GFZCGYWPWLGQIH-MRXNPFEDSA-N 1 0 395.525 3.260 20 5 GGBDRO COc1ccccc1COC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000179755520 1429541502 /nfs/dbraw/zinc/54/15/02/1429541502.db2.gz YPODVTHUVYZQLD-FQEVSTJZSA-N 1 0 386.448 3.318 20 5 GGBDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000152792564 1422250294 /nfs/dbraw/zinc/25/02/94/1422250294.db2.gz YGPADFQMHXLGOH-UHFFFAOYSA-N 1 0 394.475 3.111 20 5 GGBDRO COc1ccc(NC(=O)CC[N@@H+]2CCOC3(C2)CCCCCC3)c([N+](=O)[O-])c1 ZINC000152913608 1422294183 /nfs/dbraw/zinc/29/41/83/1422294183.db2.gz PKTRIBQEGFDCJS-UHFFFAOYSA-N 1 0 391.468 3.357 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](CCCO)c1ccccc1 ZINC000179761817 1429545951 /nfs/dbraw/zinc/54/59/51/1429545951.db2.gz VIQDDYWVKHZOGO-KRWDZBQOSA-N 1 0 387.436 3.035 20 5 GGBDRO CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)[C@@H]1CCC[N@H+](C)C1 ZINC000152983854 1422316251 /nfs/dbraw/zinc/31/62/51/1422316251.db2.gz XHCVHJLLHOEQTH-SNVBAGLBSA-N 1 0 390.665 3.177 20 5 GGBDRO CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)[C@H]1CCC[N@H+](C)C1 ZINC000152983746 1422316316 /nfs/dbraw/zinc/31/63/16/1422316316.db2.gz XHCVHJLLHOEQTH-JTQLQIEISA-N 1 0 390.665 3.177 20 5 GGBDRO O=C(Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000153007072 1422324008 /nfs/dbraw/zinc/32/40/08/1422324008.db2.gz DOQUAKRHZWZJDT-LJQANCHMSA-N 1 0 391.431 3.491 20 5 GGBDRO Cc1cccc(NC2CC[NH+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000153030773 1422332802 /nfs/dbraw/zinc/33/28/02/1422332802.db2.gz IWWWGSZMZOJLHZ-FQEVSTJZSA-N 1 0 385.464 3.219 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOc1ccc(S(C)(=O)=O)cc1 ZINC000153109298 1422359427 /nfs/dbraw/zinc/35/94/27/1422359427.db2.gz QSPUNCQZVXCYGZ-CQSZACIVSA-N 1 0 378.450 3.036 20 5 GGBDRO Cc1c([C@H](C)[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000153109866 1422359610 /nfs/dbraw/zinc/35/96/10/1422359610.db2.gz LLIPOMYZBFUKSL-AWEZNQCLSA-N 1 0 378.450 3.036 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000153344505 1422481843 /nfs/dbraw/zinc/48/18/43/1422481843.db2.gz ADMDIMUNSSBYJV-UHFFFAOYSA-N 1 0 382.420 3.372 20 5 GGBDRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc21 ZINC000153354327 1422487486 /nfs/dbraw/zinc/48/74/86/1422487486.db2.gz MUMFNKRRQFKTIA-UHFFFAOYSA-N 1 0 397.391 3.272 20 5 GGBDRO CSc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000153357475 1422490072 /nfs/dbraw/zinc/49/00/72/1422490072.db2.gz KGNKXMGYQWEWSB-GDBMZVCRSA-N 1 0 375.494 3.406 20 5 GGBDRO C[NH+](C)CCn1ccc2ccc(NC(=O)CNc3ccccc3[N+](=O)[O-])cc21 ZINC000153358047 1422490248 /nfs/dbraw/zinc/49/02/48/1422490248.db2.gz PVJRBUCLNSYGMT-UHFFFAOYSA-N 1 0 381.436 3.162 20 5 GGBDRO CSc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000153357583 1422490832 /nfs/dbraw/zinc/49/08/32/1422490832.db2.gz KGNKXMGYQWEWSB-ZBFHGGJFSA-N 1 0 375.494 3.406 20 5 GGBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000153365945 1422497411 /nfs/dbraw/zinc/49/74/11/1422497411.db2.gz QTMAFSYKEVUPFM-KXBFYZLASA-N 1 0 384.480 3.258 20 5 GGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000153372203 1422501797 /nfs/dbraw/zinc/50/17/97/1422501797.db2.gz AVYHBWMMSKXVJB-DYVFJYSZSA-N 1 0 375.494 3.406 20 5 GGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000153372414 1422502521 /nfs/dbraw/zinc/50/25/21/1422502521.db2.gz AVYHBWMMSKXVJB-GUYCJALGSA-N 1 0 375.494 3.406 20 5 GGBDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000153379187 1422506024 /nfs/dbraw/zinc/50/60/24/1422506024.db2.gz XOXCTIGTKDSSJA-INIZCTEOSA-N 1 0 386.452 3.378 20 5 GGBDRO CC[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCN1CC(F)F ZINC000153516304 1422580288 /nfs/dbraw/zinc/58/02/88/1422580288.db2.gz QVDVHQLEEHQHFI-OAHLLOKOSA-N 1 0 394.422 3.454 20 5 GGBDRO COc1ccc(C[N@@H+]2CCCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)cc1 ZINC000153548022 1422604163 /nfs/dbraw/zinc/60/41/63/1422604163.db2.gz YKVXEFLVVUMDSR-UHFFFAOYSA-N 1 0 376.844 3.364 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N3C[C@@H](C)[NH2+][C@H](C)C3)cc2[N+](=O)[O-])n1 ZINC000153627874 1422658235 /nfs/dbraw/zinc/65/82/35/1422658235.db2.gz UUNCBGJSGHABGC-GHMZBOCLSA-N 1 0 392.506 3.333 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1cccc(F)c1 ZINC000153726729 1422725448 /nfs/dbraw/zinc/72/54/48/1422725448.db2.gz PZPNVRYBUUZKQB-LJQANCHMSA-N 1 0 386.427 3.105 20 5 GGBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC(CCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000153792382 1422759712 /nfs/dbraw/zinc/75/97/12/1422759712.db2.gz LPDICAWKGJHVJG-UHFFFAOYSA-N 1 0 378.429 3.005 20 5 GGBDRO CCCCCCNC(=O)[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000153829177 1422784461 /nfs/dbraw/zinc/78/44/61/1422784461.db2.gz SQLOYXYPHSIMSC-MJGOQNOKSA-N 1 0 377.485 3.037 20 5 GGBDRO CC[NH+](CC)Cc1cccc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000153834078 1422787654 /nfs/dbraw/zinc/78/76/54/1422787654.db2.gz KVCYDBANLQVQBH-UHFFFAOYSA-N 1 0 393.465 3.246 20 5 GGBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[N@H+](C)Cc1ccccc1 ZINC000153899420 1422807779 /nfs/dbraw/zinc/80/77/79/1422807779.db2.gz QZKXSBWNESNAQK-OAHLLOKOSA-N 1 0 378.432 3.393 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000153937002 1422813799 /nfs/dbraw/zinc/81/37/99/1422813799.db2.gz BUOOGIIYFPVKOF-NVXWUHKLSA-N 1 0 397.479 3.329 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000153937244 1422813884 /nfs/dbraw/zinc/81/38/84/1422813884.db2.gz BUOOGIIYFPVKOF-WBVHZDCISA-N 1 0 397.479 3.329 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1nc2ccccc2o1 ZINC000153952340 1422815927 /nfs/dbraw/zinc/81/59/27/1422815927.db2.gz KLAAGRMYNVASAR-UHFFFAOYSA-N 1 0 384.392 3.205 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000153956126 1422816692 /nfs/dbraw/zinc/81/66/92/1422816692.db2.gz YULSOIZJDVMDQD-OAHLLOKOSA-N 1 0 395.525 3.041 20 5 GGBDRO CCO[C@H]1C[C@@H]([N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C12CCC2 ZINC000153959442 1422817191 /nfs/dbraw/zinc/81/71/91/1422817191.db2.gz NINHBZNCVKKBRB-MSOLQXFVSA-N 1 0 389.452 3.172 20 5 GGBDRO CN(CC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1)C(=O)OC(C)(C)C ZINC000153993874 1422822490 /nfs/dbraw/zinc/82/24/90/1422822490.db2.gz DFTUZPSTVLMWLF-GOSISDBHSA-N 1 0 393.484 3.207 20 5 GGBDRO CCO[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C12CCC2 ZINC000154032785 1422829124 /nfs/dbraw/zinc/82/91/24/1422829124.db2.gz RWVWJASDTKKHJH-ZWKOTPCHSA-N 1 0 391.468 3.212 20 5 GGBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000154062572 1422834035 /nfs/dbraw/zinc/83/40/35/1422834035.db2.gz UCOZIJDFHMEOAO-MJGOQNOKSA-N 1 0 398.507 3.284 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000154082035 1422837673 /nfs/dbraw/zinc/83/76/73/1422837673.db2.gz URNRBPLALUQIEQ-WMQCIHAUSA-N 1 0 383.492 3.437 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000154094201 1422839338 /nfs/dbraw/zinc/83/93/38/1422839338.db2.gz ZGPAFRHHNCCQHJ-LRXVAGHRSA-N 1 0 383.492 3.437 20 5 GGBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000154140415 1422845847 /nfs/dbraw/zinc/84/58/47/1422845847.db2.gz DJBCBCJTNMEYRM-CQSZACIVSA-N 1 0 392.477 3.389 20 5 GGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000154268260 1422864598 /nfs/dbraw/zinc/86/45/98/1422864598.db2.gz SXGFWSDEVYBWQH-YOEHRIQHSA-N 1 0 375.469 3.435 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)cc1OC ZINC000154340460 1422875420 /nfs/dbraw/zinc/87/54/20/1422875420.db2.gz OMXFHEMZCFNTCU-HNNXBMFYSA-N 1 0 393.484 3.242 20 5 GGBDRO CC(C)C[N@H+](C[C@H](O)c1ccc(F)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154364679 1422878703 /nfs/dbraw/zinc/87/87/03/1422878703.db2.gz RORDAPUXALHXHD-PMACEKPBSA-N 1 0 376.428 3.459 20 5 GGBDRO CC(C)C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H](O)c1ccc(F)cc1 ZINC000154364796 1422878861 /nfs/dbraw/zinc/87/88/61/1422878861.db2.gz RORDAPUXALHXHD-UXHICEINSA-N 1 0 376.428 3.459 20 5 GGBDRO CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1CCN(c2ccccn2)CC1 ZINC000154385529 1422881981 /nfs/dbraw/zinc/88/19/81/1422881981.db2.gz KIRZGSZTESJMGE-FQEVSTJZSA-N 1 0 384.480 3.262 20 5 GGBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)CC[C@@H]21 ZINC000154393817 1422883227 /nfs/dbraw/zinc/88/32/27/1422883227.db2.gz DQLZEJJVADMBLX-LPHOPBHVSA-N 1 0 386.496 3.141 20 5 GGBDRO CCC[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000154448541 1422889805 /nfs/dbraw/zinc/88/98/05/1422889805.db2.gz DBJNRNPBKLSZNV-OALUTQOASA-N 1 0 379.526 3.234 20 5 GGBDRO COc1cc(C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)ccc1[N+](=O)[O-] ZINC000154517440 1422899542 /nfs/dbraw/zinc/89/95/42/1422899542.db2.gz BTEANBSJFBJCGS-UHFFFAOYSA-N 1 0 398.463 3.386 20 5 GGBDRO Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000154534462 1422908348 /nfs/dbraw/zinc/90/83/48/1422908348.db2.gz SWQUJFYAQBMIBK-UHFFFAOYSA-N 1 0 390.440 3.210 20 5 GGBDRO CC(C)[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154545528 1422919192 /nfs/dbraw/zinc/91/91/92/1422919192.db2.gz YQFXAQLEKKJPLG-APWZRJJASA-N 1 0 381.473 3.157 20 5 GGBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000154585352 1422944718 /nfs/dbraw/zinc/94/47/18/1422944718.db2.gz XYEZZONOUHCKJI-MRXNPFEDSA-N 1 0 377.485 3.075 20 5 GGBDRO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)Cc1ccc(F)cc1 ZINC000154588524 1422945972 /nfs/dbraw/zinc/94/59/72/1422945972.db2.gz NEDBNKAFKFJNKQ-UHFFFAOYSA-N 1 0 382.395 3.144 20 5 GGBDRO C[NH+](C)Cc1ccc(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1F ZINC000154588354 1422946565 /nfs/dbraw/zinc/94/65/65/1422946565.db2.gz OLACNSJOENKHAV-UHFFFAOYSA-N 1 0 377.441 3.204 20 5 GGBDRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154640522 1422978139 /nfs/dbraw/zinc/97/81/39/1422978139.db2.gz VAPLUXGFNXAAAA-ZVZYQTTQSA-N 1 0 393.484 3.253 20 5 GGBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CCOCc1ccccc1 ZINC000154711211 1423008632 /nfs/dbraw/zinc/00/86/32/1423008632.db2.gz CFLINZNEODCQSC-UHFFFAOYSA-N 1 0 385.420 3.041 20 5 GGBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000154785405 1423031947 /nfs/dbraw/zinc/03/19/47/1423031947.db2.gz GZMZBLVGYXZEKZ-UHFFFAOYSA-N 1 0 385.439 3.399 20 5 GGBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000154805039 1423039856 /nfs/dbraw/zinc/03/98/56/1423039856.db2.gz XMGVFOQFMYWRNP-RDTXWAMCSA-N 1 0 380.448 3.232 20 5 GGBDRO COc1ccc([C@@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)N2CCOCC2)cc1 ZINC000154962606 1423092619 /nfs/dbraw/zinc/09/26/19/1423092619.db2.gz OVMXYZOSSOMRBN-IIBYNOLFSA-N 1 0 385.464 3.328 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000155153040 1423198783 /nfs/dbraw/zinc/19/87/83/1423198783.db2.gz JRNBGDQNDXFVCS-GOSISDBHSA-N 1 0 388.512 3.430 20 5 GGBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000155153636 1423199801 /nfs/dbraw/zinc/19/98/01/1423199801.db2.gz UNVPWITVMDZMKC-NSHDSACASA-N 1 0 385.262 3.163 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cccc(OCCN2CCOCC2)c1 ZINC000155169050 1423208048 /nfs/dbraw/zinc/20/80/48/1423208048.db2.gz APOGINGEFWSVAB-SFHVURJKSA-N 1 0 399.491 3.465 20 5 GGBDRO Cc1c([C@H](C)[NH2+]Cc2cccc(OCCN3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000155169268 1423208354 /nfs/dbraw/zinc/20/83/54/1423208354.db2.gz PMYYIIYCEVRZQW-SFHVURJKSA-N 1 0 399.491 3.465 20 5 GGBDRO C[C@@H]([NH2+]Cc1cccc(OCCN2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000155179212 1423215879 /nfs/dbraw/zinc/21/58/79/1423215879.db2.gz OTRTXWVBFYNPAX-QGZVFWFLSA-N 1 0 385.464 3.157 20 5 GGBDRO COc1cc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)ccc1[N+](=O)[O-] ZINC000155196107 1423235811 /nfs/dbraw/zinc/23/58/11/1423235811.db2.gz BXBDXTOMJFIXRT-UHFFFAOYSA-N 1 0 387.461 3.405 20 5 GGBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000155224342 1423256618 /nfs/dbraw/zinc/25/66/18/1423256618.db2.gz UQORNSAUAWQJCH-NSHDSACASA-N 1 0 385.262 3.211 20 5 GGBDRO O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000155449734 1423369308 /nfs/dbraw/zinc/36/93/08/1423369308.db2.gz CSJLHKCVGLJXKM-UHFFFAOYSA-N 1 0 399.447 3.477 20 5 GGBDRO COc1cc(CN2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179914447 1429637637 /nfs/dbraw/zinc/63/76/37/1429637637.db2.gz QPPNUKGBAKBDDE-UHFFFAOYSA-N 1 0 399.438 3.308 20 5 GGBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000155515303 1423395757 /nfs/dbraw/zinc/39/57/57/1423395757.db2.gz SSTGJVKEDQSCCV-HNNXBMFYSA-N 1 0 397.479 3.011 20 5 GGBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000155550224 1423413697 /nfs/dbraw/zinc/41/36/97/1423413697.db2.gz JKLRKKZFULSYGD-INIZCTEOSA-N 1 0 382.464 3.264 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1 ZINC000179923849 1429642913 /nfs/dbraw/zinc/64/29/13/1429642913.db2.gz PJRLBMKTSYLZBZ-OAHLLOKOSA-N 1 0 379.363 3.229 20 5 GGBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2cc(F)ccc2OC)c([N+](=O)[O-])c1 ZINC000179932050 1429648591 /nfs/dbraw/zinc/64/85/91/1429648591.db2.gz ACCBVWGROSKRAI-LBPRGKRZSA-N 1 0 391.399 3.431 20 5 GGBDRO COc1cc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179944292 1429655375 /nfs/dbraw/zinc/65/53/75/1429655375.db2.gz NFQZGWZSLNHBHT-LBPRGKRZSA-N 1 0 396.394 3.350 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000156143908 1423693469 /nfs/dbraw/zinc/69/34/69/1423693469.db2.gz BVHLCICQNXNBMQ-INIZCTEOSA-N 1 0 385.439 3.399 20 5 GGBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000156331365 1423783797 /nfs/dbraw/zinc/78/37/97/1423783797.db2.gz RCDHIPPXWVXUAM-VXGBXAGGSA-N 1 0 388.390 3.001 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000156489226 1423817354 /nfs/dbraw/zinc/81/73/54/1423817354.db2.gz XZGNXDFXQRTMTL-MRXNPFEDSA-N 1 0 396.447 3.057 20 5 GGBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000156533548 1423824186 /nfs/dbraw/zinc/82/41/86/1423824186.db2.gz QUMLRROOHGPDQO-YJBOKZPZSA-N 1 0 382.464 3.406 20 5 GGBDRO Nc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000156621066 1423837065 /nfs/dbraw/zinc/83/70/65/1423837065.db2.gz GVUINDNAZXSLTE-ICSRJNTNSA-N 1 0 394.475 3.304 20 5 GGBDRO C[NH+](C)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000179986219 1429676507 /nfs/dbraw/zinc/67/65/07/1429676507.db2.gz XHRPEGJUUISHIT-UHFFFAOYSA-N 1 0 379.363 3.188 20 5 GGBDRO O=C(CC1([NH+]2CCOCC2)CCCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000156874176 1423878746 /nfs/dbraw/zinc/87/87/46/1423878746.db2.gz UJAFHUKJIKOMBU-UHFFFAOYSA-N 1 0 387.480 3.121 20 5 GGBDRO CCC[NH+]1CCN(Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000156965160 1423894114 /nfs/dbraw/zinc/89/41/14/1423894114.db2.gz AIIFZTNUXBYDQM-UHFFFAOYSA-N 1 0 391.390 3.072 20 5 GGBDRO COc1cc(CN2CCC[C@H]2C[NH+]2CCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179998121 1429681518 /nfs/dbraw/zinc/68/15/18/1429681518.db2.gz MKVHOSJRGNTZDU-HNNXBMFYSA-N 1 0 399.438 3.308 20 5 GGBDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000157296504 1423978155 /nfs/dbraw/zinc/97/81/55/1423978155.db2.gz RBJPUGNOUXDXLH-UHFFFAOYSA-N 1 0 377.828 3.158 20 5 GGBDRO CC[C@H]1Oc2cc([C@H](C)[NH2+]CCOc3cccc([N+](=O)[O-])c3)ccc2NC1=O ZINC000180011264 1429690867 /nfs/dbraw/zinc/69/08/67/1429690867.db2.gz MTZJYEXYDRVCMH-SCLBCKFNSA-N 1 0 385.420 3.434 20 5 GGBDRO O=C(CN1CCC[C@H]([NH+]2CCCC2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000157488068 1424022028 /nfs/dbraw/zinc/02/20/28/1424022028.db2.gz TWWXAQLQPRGGCD-HNNXBMFYSA-N 1 0 380.876 3.137 20 5 GGBDRO O=C(CN1CCC[C@@H]([NH+]2CCCC2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000157488226 1424022633 /nfs/dbraw/zinc/02/26/33/1424022633.db2.gz TWWXAQLQPRGGCD-OAHLLOKOSA-N 1 0 380.876 3.137 20 5 GGBDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)ccc2NC1=O ZINC000180017565 1429694698 /nfs/dbraw/zinc/69/46/98/1429694698.db2.gz FAHHUWCKNIMYBW-IGNZVWTISA-N 1 0 385.420 3.089 20 5 GGBDRO COc1cccc([C@H](O)C[N@H+](CCn2cc([N+](=O)[O-])cn2)Cc2ccccc2)c1 ZINC000157664287 1424061025 /nfs/dbraw/zinc/06/10/25/1424061025.db2.gz VGPDNOCJADXLNS-OAQYLSRUSA-N 1 0 396.447 3.036 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000157762639 1424082118 /nfs/dbraw/zinc/08/21/18/1424082118.db2.gz VHRQEZPMGJFNRY-MRXNPFEDSA-N 1 0 391.516 3.030 20 5 GGBDRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]CCOc3cccc([N+](=O)[O-])c3)ccc2NC1=O ZINC000180011236 1429690933 /nfs/dbraw/zinc/69/09/33/1429690933.db2.gz MTZJYEXYDRVCMH-FZKQIMNGSA-N 1 0 385.420 3.434 20 5 GGBDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CCOc3ccccc3[N+](=O)[O-])ccc2NC1=O ZINC000180023783 1429699888 /nfs/dbraw/zinc/69/98/88/1429699888.db2.gz OPURRMQIFNKYAW-DYVFJYSZSA-N 1 0 385.420 3.434 20 5 GGBDRO CC[C@@H]([NH2+]C1CCN(S(=O)(=O)CC(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000180026305 1429701511 /nfs/dbraw/zinc/70/15/11/1429701511.db2.gz WLBNIOXPMCYAJU-GOSISDBHSA-N 1 0 383.514 3.086 20 5 GGBDRO COc1ccccc1[C@@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000158012893 1424139253 /nfs/dbraw/zinc/13/92/53/1424139253.db2.gz VFNBZRRGFOZKHD-OAHLLOKOSA-N 1 0 397.431 3.391 20 5 GGBDRO COc1ccccc1[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000158049205 1424148538 /nfs/dbraw/zinc/14/85/38/1424148538.db2.gz KFFFHTICELWCOY-DNVCBOLYSA-N 1 0 381.432 3.198 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000158058394 1424151649 /nfs/dbraw/zinc/15/16/49/1424151649.db2.gz KLSGIVGEQGPRIO-ACJLOTCBSA-N 1 0 385.420 3.253 20 5 GGBDRO [NH3+][C@@H]1CCCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000158102106 1424168507 /nfs/dbraw/zinc/16/85/07/1424168507.db2.gz WANLGIFLRQQRBN-OAHLLOKOSA-N 1 0 388.855 3.424 20 5 GGBDRO CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000158399113 1424245194 /nfs/dbraw/zinc/24/51/94/1424245194.db2.gz MWKSAIFPHLNUPZ-LJQANCHMSA-N 1 0 399.487 3.181 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000158686118 1424319285 /nfs/dbraw/zinc/31/92/85/1424319285.db2.gz QVHBYGLRRFGPDO-JOCHJYFZSA-N 1 0 395.459 3.406 20 5 GGBDRO CC[N@H+](C)Cc1cccc(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000158800873 1424345168 /nfs/dbraw/zinc/34/51/68/1424345168.db2.gz ISOYHLXSHYWQPP-UHFFFAOYSA-N 1 0 380.448 3.387 20 5 GGBDRO COc1ccccc1[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1)[NH+]1CCCC1 ZINC000159086622 1424413741 /nfs/dbraw/zinc/41/37/41/1424413741.db2.gz SXKNSUNVNYQMSR-GOSISDBHSA-N 1 0 399.447 3.179 20 5 GGBDRO COc1cc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000159238376 1424454744 /nfs/dbraw/zinc/45/47/44/1424454744.db2.gz QEQNTLNKJAUIPM-OAHLLOKOSA-N 1 0 375.450 3.232 20 5 GGBDRO COc1cc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000159238249 1424454769 /nfs/dbraw/zinc/45/47/69/1424454769.db2.gz QEQNTLNKJAUIPM-HNNXBMFYSA-N 1 0 375.450 3.232 20 5 GGBDRO COc1cc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)ccc1OCC(C)C ZINC000180087165 1429731713 /nfs/dbraw/zinc/73/17/13/1429731713.db2.gz ALDHVMORWJRICR-OAHLLOKOSA-N 1 0 389.452 3.151 20 5 GGBDRO Cc1c(NC(=O)CC[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)cccc1[N+](=O)[O-] ZINC000159653068 1424521051 /nfs/dbraw/zinc/52/10/51/1424521051.db2.gz UYMUUPSOYKYZCU-JOCHJYFZSA-N 1 0 395.459 3.406 20 5 GGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000160275278 1424591873 /nfs/dbraw/zinc/59/18/73/1424591873.db2.gz VLANNFANOUGMTL-CALCHBBNSA-N 1 0 376.501 3.195 20 5 GGBDRO CCC([NH3+])(CC)CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000160473652 1424606887 /nfs/dbraw/zinc/60/68/87/1424606887.db2.gz DLSKENUHZPXRCZ-UHFFFAOYSA-N 1 0 376.379 3.049 20 5 GGBDRO COc1ccc(C[N@@H+]2CCCN(C(=O)Cc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000160522607 1424610260 /nfs/dbraw/zinc/61/02/60/1424610260.db2.gz JHSOWHCIGCKWLK-UHFFFAOYSA-N 1 0 397.475 3.189 20 5 GGBDRO COc1cc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000160532413 1424611009 /nfs/dbraw/zinc/61/10/09/1424611009.db2.gz WXZJIBLEDHEAMP-FZKQIMNGSA-N 1 0 386.395 3.332 20 5 GGBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000160796033 1424635310 /nfs/dbraw/zinc/63/53/10/1424635310.db2.gz DYZKUBQNARIOLH-VHSXEESVSA-N 1 0 398.250 3.087 20 5 GGBDRO Cc1ccc([C@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)o1 ZINC000160886205 1424641273 /nfs/dbraw/zinc/64/12/73/1424641273.db2.gz GGRNMDJVSNEMLU-SFHVURJKSA-N 1 0 386.452 3.175 20 5 GGBDRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160915583 1424644152 /nfs/dbraw/zinc/64/41/52/1424644152.db2.gz JVIOOBQFCQAVJF-RTBURBONSA-N 1 0 375.469 3.262 20 5 GGBDRO CC1CC[NH+](C2CCC(NS(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000160951529 1424647043 /nfs/dbraw/zinc/64/70/43/1424647043.db2.gz DXORUESSLPPRFP-UHFFFAOYSA-N 1 0 395.525 3.057 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000160962176 1424647869 /nfs/dbraw/zinc/64/78/69/1424647869.db2.gz RUERLPLZPAHTOM-UHFFFAOYSA-N 1 0 395.525 3.225 20 5 GGBDRO CC1CC[NH+](C2CCC(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000160971917 1424648726 /nfs/dbraw/zinc/64/87/26/1424648726.db2.gz RHUNXBCSEQQGBD-UHFFFAOYSA-N 1 0 399.488 3.055 20 5 GGBDRO CCCN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000161086912 1424657298 /nfs/dbraw/zinc/65/72/98/1424657298.db2.gz FFNBJOJTRWBSEG-MRXNPFEDSA-N 1 0 378.450 3.254 20 5 GGBDRO Cc1c(CC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000161139829 1424661613 /nfs/dbraw/zinc/66/16/13/1424661613.db2.gz KTMMAGSCTATIAC-UHFFFAOYSA-N 1 0 381.476 3.399 20 5 GGBDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000161446231 1424690466 /nfs/dbraw/zinc/69/04/66/1424690466.db2.gz HKPBXWJYEJFDGR-ZIAGYGMSSA-N 1 0 377.466 3.223 20 5 GGBDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000161446106 1424690792 /nfs/dbraw/zinc/69/07/92/1424690792.db2.gz HKPBXWJYEJFDGR-KBPBESRZSA-N 1 0 377.466 3.223 20 5 GGBDRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000161508268 1424697044 /nfs/dbraw/zinc/69/70/44/1424697044.db2.gz NPSKZMBAQJLMGW-UHFFFAOYSA-N 1 0 393.390 3.086 20 5 GGBDRO CC1CC[NH+](C2CCC(NC(=O)COc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000161521207 1424699480 /nfs/dbraw/zinc/69/94/80/1424699480.db2.gz WRWHCPLKQOFTGC-UHFFFAOYSA-N 1 0 375.469 3.133 20 5 GGBDRO Cc1ccc(NCCCNC(=O)C2(c3ccccc3)CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000161542541 1424704729 /nfs/dbraw/zinc/70/47/29/1424704729.db2.gz PKRQWUYULDDGGQ-UHFFFAOYSA-N 1 0 396.491 3.143 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000161553759 1424708605 /nfs/dbraw/zinc/70/86/05/1424708605.db2.gz XLNPJULLVRXNKM-UHFFFAOYSA-N 1 0 375.469 3.376 20 5 GGBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000161633035 1424730261 /nfs/dbraw/zinc/73/02/61/1424730261.db2.gz BEBOWMKPSKDUPM-INIZCTEOSA-N 1 0 398.463 3.009 20 5 GGBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)[C@@H]1CN(C)CCO1 ZINC000161727035 1424752016 /nfs/dbraw/zinc/75/20/16/1424752016.db2.gz KHAKZGFJRWECBO-DYVFJYSZSA-N 1 0 393.509 3.078 20 5 GGBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000161882240 1424786577 /nfs/dbraw/zinc/78/65/77/1424786577.db2.gz VWEFQFWRMRFMJM-AWEZNQCLSA-N 1 0 388.493 3.426 20 5 GGBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000180137150 1429753685 /nfs/dbraw/zinc/75/36/85/1429753685.db2.gz NFJXUTNXTCKWDJ-DZGCQCFKSA-N 1 0 388.411 3.373 20 5 GGBDRO CC(C)[C@H](CCO)[NH2+][C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000161919583 1424796388 /nfs/dbraw/zinc/79/63/88/1424796388.db2.gz SYXZNTORDSMJIO-DOMZBBRYSA-N 1 0 392.481 3.042 20 5 GGBDRO C[C@@H]([NH2+]Cc1ccccc1OCCN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000162039362 1424810927 /nfs/dbraw/zinc/81/09/27/1424810927.db2.gz IUMKLBSQKKZBDH-QGZVFWFLSA-N 1 0 385.464 3.157 20 5 GGBDRO CCOC(=O)CC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000162094724 1424815658 /nfs/dbraw/zinc/81/56/58/1424815658.db2.gz GQRBJPGOKYNIPR-INIZCTEOSA-N 1 0 391.468 3.287 20 5 GGBDRO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000162149772 1424820451 /nfs/dbraw/zinc/82/04/51/1424820451.db2.gz NWSDMHDFQNDMJH-CQSZACIVSA-N 1 0 388.424 3.200 20 5 GGBDRO CCOC(=O)CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000162171993 1424822413 /nfs/dbraw/zinc/82/24/13/1424822413.db2.gz DQTNBWZNEVQMBM-JKSUJKDBSA-N 1 0 391.468 3.286 20 5 GGBDRO [NH3+]CCCOC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 ZINC000162173314 1424822973 /nfs/dbraw/zinc/82/29/73/1424822973.db2.gz XOZTVBKWTFHSPA-UHFFFAOYSA-N 1 0 399.447 3.357 20 5 GGBDRO CCC[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000162480823 1424857239 /nfs/dbraw/zinc/85/72/39/1424857239.db2.gz KIMWMMHICXPQSO-GOSISDBHSA-N 1 0 377.466 3.004 20 5 GGBDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000162528652 1424862484 /nfs/dbraw/zinc/86/24/84/1424862484.db2.gz VBGWIVIRJIQZIZ-SFHVURJKSA-N 1 0 392.843 3.419 20 5 GGBDRO Cc1c(CC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000163553151 1425016852 /nfs/dbraw/zinc/01/68/52/1425016852.db2.gz RRWRTHKUIXIYKK-UHFFFAOYSA-N 1 0 391.418 3.314 20 5 GGBDRO CCOC[C@@H]1CCC[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000180158824 1429770678 /nfs/dbraw/zinc/77/06/78/1429770678.db2.gz DPGURNCAWMEAKR-CYBMUJFWSA-N 1 0 388.411 3.496 20 5 GGBDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000163945763 1425060226 /nfs/dbraw/zinc/06/02/26/1425060226.db2.gz YWGNFOMKZWJXQZ-UHFFFAOYSA-N 1 0 397.479 3.090 20 5 GGBDRO Cc1ccc([C@@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)N2CCOCC2)o1 ZINC000164606445 1425128720 /nfs/dbraw/zinc/12/87/20/1425128720.db2.gz BXLNNHNYTPMFHF-TZIWHRDSSA-N 1 0 399.491 3.480 20 5 GGBDRO CN(C[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1)C(=O)OC(C)(C)C ZINC000170919335 1425392118 /nfs/dbraw/zinc/39/21/18/1425392118.db2.gz DZJYIGOCYHFHGE-OAHLLOKOSA-N 1 0 379.457 3.162 20 5 GGBDRO CC(=O)Nc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000171049377 1425455179 /nfs/dbraw/zinc/45/51/79/1425455179.db2.gz MEEZVGTZFSIJLT-UHFFFAOYSA-N 1 0 379.420 3.244 20 5 GGBDRO O=C(CC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)NCc1cccnc1 ZINC000171051695 1425455747 /nfs/dbraw/zinc/45/57/47/1425455747.db2.gz KRNZBBWVXASLAT-UHFFFAOYSA-N 1 0 380.404 3.046 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000171356383 1425636586 /nfs/dbraw/zinc/63/65/86/1425636586.db2.gz CNPHGRVMYUFSEZ-MRXNPFEDSA-N 1 0 388.424 3.463 20 5 GGBDRO CC1CCN(c2ccc(C(=O)N3CC[C@H]([NH+]4CCCC4)C3)cc2[N+](=O)[O-])CC1 ZINC000171450879 1425684859 /nfs/dbraw/zinc/68/48/59/1425684859.db2.gz VUNYTZPAKGKEQS-SFHVURJKSA-N 1 0 386.496 3.141 20 5 GGBDRO COc1cccc([C@H](C)N2CCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3N)CC2)c1 ZINC000171483864 1425701087 /nfs/dbraw/zinc/70/10/87/1425701087.db2.gz QFRISYHPQWAQSJ-HNNXBMFYSA-N 1 0 398.463 3.013 20 5 GGBDRO COCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000171754387 1425811879 /nfs/dbraw/zinc/81/18/79/1425811879.db2.gz UODOJKAHKYRLBC-UHFFFAOYSA-N 1 0 389.477 3.054 20 5 GGBDRO CCc1n[nH]c(C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000171804140 1425825058 /nfs/dbraw/zinc/82/50/58/1425825058.db2.gz YGKFSSXTRZBMHI-QGZVFWFLSA-N 1 0 385.468 3.083 20 5 GGBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000171840968 1425832720 /nfs/dbraw/zinc/83/27/20/1425832720.db2.gz WGUXMSMNOOYVJL-UHFFFAOYSA-N 1 0 396.491 3.156 20 5 GGBDRO CC(C)[C@@H](CNC(=O)c1cc2ccccc2c2cccnc12)[NH+]1CCN(C)CC1 ZINC000171978782 1425866642 /nfs/dbraw/zinc/86/66/42/1425866642.db2.gz WLAQKRNLSSSPJE-JOCHJYFZSA-N 1 0 390.531 3.390 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000172029636 1425878237 /nfs/dbraw/zinc/87/82/37/1425878237.db2.gz VGPMNJSNGKEVDH-CVEARBPZSA-N 1 0 397.479 3.187 20 5 GGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000172115390 1425900440 /nfs/dbraw/zinc/90/04/40/1425900440.db2.gz XNRMZWKGFZZXES-UHFFFAOYSA-N 1 0 386.477 3.106 20 5 GGBDRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000172379698 1426019645 /nfs/dbraw/zinc/01/96/45/1426019645.db2.gz GWYKMCZYWGYYMS-CYBMUJFWSA-N 1 0 389.477 3.040 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1SC ZINC000172421390 1426035886 /nfs/dbraw/zinc/03/58/86/1426035886.db2.gz KXFYNFAZYFKTCZ-UHFFFAOYSA-N 1 0 393.509 3.416 20 5 GGBDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000172613151 1426113378 /nfs/dbraw/zinc/11/33/78/1426113378.db2.gz XJUWLQQZFUSLJZ-UHFFFAOYSA-N 1 0 398.444 3.222 20 5 GGBDRO CC[C@@H]([NH2+]CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000172618437 1426115692 /nfs/dbraw/zinc/11/56/92/1426115692.db2.gz BARURMHBDWKCKX-MRXNPFEDSA-N 1 0 395.456 3.290 20 5 GGBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000172706056 1426152019 /nfs/dbraw/zinc/15/20/19/1426152019.db2.gz OYNHWFFRTOKXAO-HOTGVXAUSA-N 1 0 377.510 3.410 20 5 GGBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000172706206 1426152141 /nfs/dbraw/zinc/15/21/41/1426152141.db2.gz BZFFVODNFYGZDB-QGZVFWFLSA-N 1 0 386.496 3.143 20 5 GGBDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])c1 ZINC000172809779 1426199169 /nfs/dbraw/zinc/19/91/69/1426199169.db2.gz DBGUCHSVFBFIOL-UHFFFAOYSA-N 1 0 398.463 3.227 20 5 GGBDRO CCCC[N@H+](C)CC1CCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000172908956 1426253840 /nfs/dbraw/zinc/25/38/40/1426253840.db2.gz FTTKQZIIIMFZPY-UHFFFAOYSA-N 1 0 386.500 3.255 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000172909658 1426254701 /nfs/dbraw/zinc/25/47/01/1426254701.db2.gz UVQNLDWLKZEJQF-QZTJIDSGSA-N 1 0 398.511 3.397 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CC[C@@H](COCc4ccccc4)C3)n2)cc1 ZINC000172971307 1426288557 /nfs/dbraw/zinc/28/85/57/1426288557.db2.gz VECPUFZQSJLSLD-GOSISDBHSA-N 1 0 393.447 3.350 20 5 GGBDRO CN(CC(=O)Nc1ccccc1NC1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000172995560 1426300848 /nfs/dbraw/zinc/30/08/48/1426300848.db2.gz QJMLCTDRNRZQAL-UHFFFAOYSA-N 1 0 397.479 3.176 20 5 GGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000173021548 1426310872 /nfs/dbraw/zinc/31/08/72/1426310872.db2.gz WRUNLUWZDYZCGI-UHFFFAOYSA-N 1 0 384.480 3.141 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)c1 ZINC000173023038 1426311815 /nfs/dbraw/zinc/31/18/15/1426311815.db2.gz UPKZCCFLAFGQMG-UHFFFAOYSA-N 1 0 377.510 3.385 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000173075108 1426332644 /nfs/dbraw/zinc/33/26/44/1426332644.db2.gz IGHWYRTULYXVSR-IAGOWNOFSA-N 1 0 397.475 3.442 20 5 GGBDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000173106907 1426345489 /nfs/dbraw/zinc/34/54/89/1426345489.db2.gz HXKMNUCEZRBHEY-UHFFFAOYSA-N 1 0 398.463 3.305 20 5 GGBDRO C[C@@H]([NH2+][C@H](C)c1cccc(-n2cccn2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000173202863 1426391113 /nfs/dbraw/zinc/39/11/13/1426391113.db2.gz SVEGUQSIKGJAMX-HUUCEWRRSA-N 1 0 379.420 3.458 20 5 GGBDRO CCc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc1[N+](=O)[O-] ZINC000173262979 1426440919 /nfs/dbraw/zinc/44/09/19/1426440919.db2.gz PZKRDEWRQBBALO-UHFFFAOYSA-N 1 0 382.464 3.470 20 5 GGBDRO CC(C)[NH+](CCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C(C)C ZINC000173326924 1426508834 /nfs/dbraw/zinc/50/88/34/1426508834.db2.gz FVCXHDOGMZVMSG-UHFFFAOYSA-N 1 0 392.500 3.266 20 5 GGBDRO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000173348512 1426526996 /nfs/dbraw/zinc/52/69/96/1426526996.db2.gz NSVFDUYCQDSNHP-RTWAWAEBSA-N 1 0 398.438 3.403 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000173352209 1426528757 /nfs/dbraw/zinc/52/87/57/1426528757.db2.gz GDKWZHNERNFCNY-UHFFFAOYSA-N 1 0 387.411 3.276 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000173387708 1426564825 /nfs/dbraw/zinc/56/48/25/1426564825.db2.gz FIRNBDRQMRPYEA-FQEVSTJZSA-N 1 0 383.448 3.214 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000173388765 1426566554 /nfs/dbraw/zinc/56/65/54/1426566554.db2.gz CRCOKNBTVNVVFI-FQEVSTJZSA-N 1 0 383.448 3.214 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000173396660 1426577598 /nfs/dbraw/zinc/57/75/98/1426577598.db2.gz YBDGIPNGPSKVIC-UHFFFAOYSA-N 1 0 396.491 3.438 20 5 GGBDRO CN(CC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000173432372 1426613065 /nfs/dbraw/zinc/61/30/65/1426613065.db2.gz BGCZEOKSVHPLCN-UHFFFAOYSA-N 1 0 396.491 3.154 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000173431644 1426613450 /nfs/dbraw/zinc/61/34/50/1426613450.db2.gz IGYHWESQLJNFKJ-YJBOKZPZSA-N 1 0 377.485 3.024 20 5 GGBDRO C[C@H]([NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000173435878 1426617082 /nfs/dbraw/zinc/61/70/82/1426617082.db2.gz JRVNWVQTWXOMRR-MEDUHNTESA-N 1 0 378.812 3.404 20 5 GGBDRO Cc1ccc2c(C[N@@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc(=O)oc2c1C ZINC000173462317 1426636027 /nfs/dbraw/zinc/63/60/27/1426636027.db2.gz GJZYLFSEXAPEPK-INIZCTEOSA-N 1 0 394.431 3.399 20 5 GGBDRO COC(=O)c1cc2cc(C[N@@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)ccc2o1 ZINC000173473117 1426647186 /nfs/dbraw/zinc/64/71/86/1426647186.db2.gz ROLXDYJSTDCIDL-OAHLLOKOSA-N 1 0 396.403 3.209 20 5 GGBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000173507720 1426676393 /nfs/dbraw/zinc/67/63/93/1426676393.db2.gz WNWMUMIBHIGYNQ-OAHLLOKOSA-N 1 0 385.468 3.007 20 5 GGBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000173516267 1426689122 /nfs/dbraw/zinc/68/91/22/1426689122.db2.gz HKTLQWVZTNPFHH-GOSISDBHSA-N 1 0 379.464 3.356 20 5 GGBDRO COc1ccc(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000173519449 1426693455 /nfs/dbraw/zinc/69/34/55/1426693455.db2.gz PQWSQMOSFNXAHC-MRXNPFEDSA-N 1 0 383.448 3.340 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c1 ZINC000173521434 1426694414 /nfs/dbraw/zinc/69/44/14/1426694414.db2.gz XLRAMNCZEHBGLE-MRXNPFEDSA-N 1 0 383.448 3.340 20 5 GGBDRO C[C@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000173528899 1426702820 /nfs/dbraw/zinc/70/28/20/1426702820.db2.gz WDQSRVLIBGLQGX-KRWDZBQOSA-N 1 0 383.448 3.097 20 5 GGBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000173544545 1426718293 /nfs/dbraw/zinc/71/82/93/1426718293.db2.gz BVSKCFHOJGEXLY-UHFFFAOYSA-N 1 0 384.480 3.188 20 5 GGBDRO O=[N+]([O-])c1ccnn1CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000173553497 1426726079 /nfs/dbraw/zinc/72/60/79/1426726079.db2.gz FBSLUKQIVMFCHC-MRXNPFEDSA-N 1 0 397.401 3.135 20 5 GGBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000173579322 1426744656 /nfs/dbraw/zinc/74/46/56/1426744656.db2.gz PBJPVJQPMGJECJ-UHFFFAOYSA-N 1 0 396.491 3.120 20 5 GGBDRO COc1ccc(OCCN2CC[NH+](CC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000173581144 1426745497 /nfs/dbraw/zinc/74/54/97/1426745497.db2.gz OXRUNKZBLADCKJ-UHFFFAOYSA-N 1 0 377.485 3.180 20 5 GGBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000173584889 1426748436 /nfs/dbraw/zinc/74/84/36/1426748436.db2.gz DGQNXYLSNWSHDL-GOSISDBHSA-N 1 0 391.515 3.345 20 5 GGBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173595473 1426760166 /nfs/dbraw/zinc/76/01/66/1426760166.db2.gz DGOLFMFDSJDIBE-LSDHHAIUSA-N 1 0 394.903 3.383 20 5 GGBDRO CN(C(=O)C[N@@H+]1CC[C@@H](COCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000173652278 1426810798 /nfs/dbraw/zinc/81/07/98/1426810798.db2.gz ITLDFYYSKOROAF-GOSISDBHSA-N 1 0 383.448 3.096 20 5 GGBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](Cc2ccccc2Cl)C2CCCC2)c1 ZINC000173664699 1426813999 /nfs/dbraw/zinc/81/39/99/1426813999.db2.gz QBFUOBXATCRVIC-KRWDZBQOSA-N 1 0 378.860 3.250 20 5 GGBDRO COc1ccccc1C[C@@H](C)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000173693143 1426822870 /nfs/dbraw/zinc/82/28/70/1426822870.db2.gz AGJVHNCOGRLGKG-OAHLLOKOSA-N 1 0 383.448 3.056 20 5 GGBDRO CN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000173705790 1426827341 /nfs/dbraw/zinc/82/73/41/1426827341.db2.gz YTTCYSAQMJHUDL-KRWDZBQOSA-N 1 0 393.447 3.208 20 5 GGBDRO Cc1ccc(CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]2CCCO2)cc1 ZINC000173780578 1426849484 /nfs/dbraw/zinc/84/94/84/1426849484.db2.gz GMMSBUOBVKVYEP-FQEVSTJZSA-N 1 0 397.475 3.226 20 5 GGBDRO C[NH+](C)CCOc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000173796780 1426853617 /nfs/dbraw/zinc/85/36/17/1426853617.db2.gz ZFDSRPIEUYRXNN-UHFFFAOYSA-N 1 0 377.828 3.370 20 5 GGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000173811906 1426858161 /nfs/dbraw/zinc/85/81/61/1426858161.db2.gz CYAVZACGDCJIQD-KRWDZBQOSA-N 1 0 388.512 3.389 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173978189 1426922743 /nfs/dbraw/zinc/92/27/43/1426922743.db2.gz QGLHBYGYHMYMBM-IBGZPJMESA-N 1 0 396.491 3.296 20 5 GGBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(-n2cccn2)c1 ZINC000174131457 1427015114 /nfs/dbraw/zinc/01/51/14/1427015114.db2.gz RWMLKGJGRZEOCC-AWEZNQCLSA-N 1 0 380.404 3.498 20 5 GGBDRO O=C1O[C@H](C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CN1c1ccccc1 ZINC000174240717 1427064895 /nfs/dbraw/zinc/06/48/95/1427064895.db2.gz ZSANBDGYFPAFCH-HXUWFJFHSA-N 1 0 397.431 3.463 20 5 GGBDRO C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174244307 1427066931 /nfs/dbraw/zinc/06/69/31/1427066931.db2.gz POENWMQCGLNNRH-INIZCTEOSA-N 1 0 375.469 3.085 20 5 GGBDRO C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174244295 1427067141 /nfs/dbraw/zinc/06/71/41/1427067141.db2.gz POENWMQCGLNNRH-MRXNPFEDSA-N 1 0 375.469 3.085 20 5 GGBDRO Cc1nn(C)c2ncc(C[NH+]3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)cc12 ZINC000174246306 1427067606 /nfs/dbraw/zinc/06/76/06/1427067606.db2.gz KHEWKFJMFUKKBW-UHFFFAOYSA-N 1 0 381.436 3.228 20 5 GGBDRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(-n2cccn2)cc1 ZINC000174369045 1427123905 /nfs/dbraw/zinc/12/39/05/1427123905.db2.gz IJQPYSCEPVOBOQ-FOIQADDNSA-N 1 0 391.431 3.237 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cccn2)cc1 ZINC000174376504 1427127801 /nfs/dbraw/zinc/12/78/01/1427127801.db2.gz SEXNJFXUVFQHIL-CABCVRRESA-N 1 0 379.420 3.458 20 5 GGBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)C1 ZINC000174507425 1427191221 /nfs/dbraw/zinc/19/12/21/1427191221.db2.gz VEMYUMCGKABYTK-KRWDZBQOSA-N 1 0 388.512 3.245 20 5 GGBDRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)nc1 ZINC000174600705 1427252146 /nfs/dbraw/zinc/25/21/46/1427252146.db2.gz SAWDCDYDSQQOGE-MRXNPFEDSA-N 1 0 384.436 3.028 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000174679988 1427305907 /nfs/dbraw/zinc/30/59/07/1427305907.db2.gz XYXBNMHRAMSMIN-LJQANCHMSA-N 1 0 382.464 3.443 20 5 GGBDRO CC(C)[NH+]1CCC(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000174688941 1427310630 /nfs/dbraw/zinc/31/06/30/1427310630.db2.gz RDDYSEKTQFFPCU-UHFFFAOYSA-N 1 0 390.484 3.020 20 5 GGBDRO Cc1ccc(NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000174747524 1427346676 /nfs/dbraw/zinc/34/66/76/1427346676.db2.gz FDXLLEKSFPLMBF-UHFFFAOYSA-N 1 0 376.457 3.012 20 5 GGBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H](O)COc1cccc2ccccc21 ZINC000174842657 1427400703 /nfs/dbraw/zinc/40/07/03/1427400703.db2.gz YWIXUDCOHHSXCA-LJQANCHMSA-N 1 0 398.463 3.095 20 5 GGBDRO O=C(C[N@@H+](CCCO)[C@@H]1CCCc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000174908446 1427441195 /nfs/dbraw/zinc/44/11/95/1427441195.db2.gz OVIZVWYMTVURGJ-LJQANCHMSA-N 1 0 383.448 3.295 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174931756 1427451605 /nfs/dbraw/zinc/45/16/05/1427451605.db2.gz UHEXRSCMMBMXRK-KRWDZBQOSA-N 1 0 383.448 3.198 20 5 GGBDRO COc1cc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000174934883 1427453549 /nfs/dbraw/zinc/45/35/49/1427453549.db2.gz ZWRJTKIKSCMBKH-KRWDZBQOSA-N 1 0 383.448 3.198 20 5 GGBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000174946781 1427460690 /nfs/dbraw/zinc/46/06/90/1427460690.db2.gz ZASDUTBPGIOJKJ-INIZCTEOSA-N 1 0 398.419 3.097 20 5 GGBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000174946800 1427460886 /nfs/dbraw/zinc/46/08/86/1427460886.db2.gz ZASDUTBPGIOJKJ-MRXNPFEDSA-N 1 0 398.419 3.097 20 5 GGBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000174955852 1427466100 /nfs/dbraw/zinc/46/61/00/1427466100.db2.gz ONRADJXWIKWTKL-ZDUSSCGKSA-N 1 0 387.427 3.369 20 5 GGBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000174960884 1427467364 /nfs/dbraw/zinc/46/73/64/1427467364.db2.gz PYJOVZKPCRUGLY-IBGZPJMESA-N 1 0 397.475 3.344 20 5 GGBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000174959656 1427467645 /nfs/dbraw/zinc/46/76/45/1427467645.db2.gz BGQREEYJVIMHNZ-INIZCTEOSA-N 1 0 393.447 3.065 20 5 GGBDRO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000174997285 1427487111 /nfs/dbraw/zinc/48/71/11/1427487111.db2.gz CPKUQPBVHAHTAI-YJYMSZOUSA-N 1 0 385.420 3.068 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(c2nccs2)CCCC1 ZINC000175011971 1427496997 /nfs/dbraw/zinc/49/69/97/1427496997.db2.gz FFJXVBAIKGGKRV-UHFFFAOYSA-N 1 0 390.465 3.448 20 5 GGBDRO COc1cccc([C@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])[NH+](C)C)c1 ZINC000175085804 1427538309 /nfs/dbraw/zinc/53/83/09/1427538309.db2.gz TVOXGYZKTJXDTF-INIZCTEOSA-N 1 0 377.828 3.290 20 5 GGBDRO C[C@H](CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000175160747 1427574511 /nfs/dbraw/zinc/57/45/11/1427574511.db2.gz LLKFGWWWKDRWPC-OAHLLOKOSA-N 1 0 391.493 3.321 20 5 GGBDRO CC(C)CC[NH+]1CCC(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000175168448 1427579176 /nfs/dbraw/zinc/57/91/76/1427579176.db2.gz GOMYYRXQKPNKRE-UHFFFAOYSA-N 1 0 399.495 3.268 20 5 GGBDRO Cc1ccc(CNC(=O)C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000175318302 1427673838 /nfs/dbraw/zinc/67/38/38/1427673838.db2.gz WLZVHXWTLFIAFT-UHFFFAOYSA-N 1 0 381.476 3.474 20 5 GGBDRO C[C@H]1C[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000175354204 1427701277 /nfs/dbraw/zinc/70/12/77/1427701277.db2.gz KPHFTWGHBLIURW-QFBILLFUSA-N 1 0 382.464 3.447 20 5 GGBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1C ZINC000175419709 1427745034 /nfs/dbraw/zinc/74/50/34/1427745034.db2.gz PMIJPPQGGQPLQZ-UHFFFAOYSA-N 1 0 395.525 3.287 20 5 GGBDRO C[C@@H]1C[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000175438659 1427755179 /nfs/dbraw/zinc/75/51/79/1427755179.db2.gz ZHUJRXZRMLJZHY-XLIONFOSSA-N 1 0 396.491 3.490 20 5 GGBDRO C[C@@H]1C[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000175456707 1427765133 /nfs/dbraw/zinc/76/51/33/1427765133.db2.gz WELHPSFXMHGVGF-VQIMIIECSA-N 1 0 382.464 3.447 20 5 GGBDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175478625 1427776629 /nfs/dbraw/zinc/77/66/29/1427776629.db2.gz XOLNPGHDPONZGR-UHFFFAOYSA-N 1 0 383.901 3.340 20 5 GGBDRO CSc1ccc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000175665701 1427850218 /nfs/dbraw/zinc/85/02/18/1427850218.db2.gz DXMIATDVYDFQAB-UHFFFAOYSA-N 1 0 386.477 3.106 20 5 GGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCCCCO)CC2)c(C(F)(F)F)c1 ZINC000175758687 1427881627 /nfs/dbraw/zinc/88/16/27/1427881627.db2.gz NGQFDWOVZMXHMF-UHFFFAOYSA-N 1 0 375.391 3.288 20 5 GGBDRO Cc1ccc([C@H](C)NC(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000175774700 1427888536 /nfs/dbraw/zinc/88/85/36/1427888536.db2.gz FNNPELBVTXXLQS-INIZCTEOSA-N 1 0 382.464 3.322 20 5 GGBDRO Cc1cc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(N)c([N+](=O)[O-])c1 ZINC000175785658 1427892023 /nfs/dbraw/zinc/89/20/23/1427892023.db2.gz NFSNIWASJJXXIJ-QGZVFWFLSA-N 1 0 382.464 3.080 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000175859696 1427937196 /nfs/dbraw/zinc/93/71/96/1427937196.db2.gz XTEZWHNAIRJEGX-UHFFFAOYSA-N 1 0 378.454 3.261 20 5 GGBDRO Cc1ccc([C@@H](C)NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000175912380 1427967669 /nfs/dbraw/zinc/96/76/69/1427967669.db2.gz JZFCUFLZMSFGJY-MRXNPFEDSA-N 1 0 397.479 3.323 20 5 GGBDRO CCC1(CO)CC[NH+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CC1 ZINC000180186971 1429791107 /nfs/dbraw/zinc/79/11/07/1429791107.db2.gz XUDSJTJHRWBOIS-UHFFFAOYSA-N 1 0 388.411 3.232 20 5 GGBDRO COc1cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180188182 1429792246 /nfs/dbraw/zinc/79/22/46/1429792246.db2.gz AJUUWYXZVRMOPZ-AWEZNQCLSA-N 1 0 399.438 3.165 20 5 GGBDRO C[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000180210634 1429802688 /nfs/dbraw/zinc/80/26/88/1429802688.db2.gz BOFMCTOXEHVMNU-LBPRGKRZSA-N 1 0 385.449 3.127 20 5 GGBDRO C[NH+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000180210489 1429802868 /nfs/dbraw/zinc/80/28/68/1429802868.db2.gz LDQASLCPIFTCTO-UHFFFAOYSA-N 1 0 379.363 3.188 20 5 GGBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180294397 1429827669 /nfs/dbraw/zinc/82/76/69/1429827669.db2.gz RIPXOYYCNJHILV-UHFFFAOYSA-N 1 0 397.479 3.215 20 5 GGBDRO O=Cc1ccc(OCC(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000180314426 1429834316 /nfs/dbraw/zinc/83/43/16/1429834316.db2.gz LNEBDBFYEYNDCA-UHFFFAOYSA-N 1 0 397.431 3.063 20 5 GGBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000180318872 1429835223 /nfs/dbraw/zinc/83/52/23/1429835223.db2.gz AWAHNIFPGFHQMS-UHFFFAOYSA-N 1 0 397.479 3.438 20 5 GGBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](CCc2ccccc2)c2ccccc2)c1 ZINC000180390763 1429854123 /nfs/dbraw/zinc/85/41/23/1429854123.db2.gz YFDWVLWMYPCTKC-NHCUHLMSSA-N 1 0 380.448 3.116 20 5 GGBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000180408009 1429860034 /nfs/dbraw/zinc/86/00/34/1429860034.db2.gz NMGWBEJGOKYPNA-JTQLQIEISA-N 1 0 378.772 3.446 20 5 GGBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccsc1 ZINC000180408598 1429860727 /nfs/dbraw/zinc/86/07/27/1429860727.db2.gz PRDWWAOXSOYFGU-OAHLLOKOSA-N 1 0 391.449 3.198 20 5 GGBDRO C[C@H]([NH2+]CC(=O)Nc1ccnn1Cc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000180415719 1429862723 /nfs/dbraw/zinc/86/27/23/1429862723.db2.gz YQTAAFOIZNMVPB-ZDUSSCGKSA-N 1 0 385.449 3.190 20 5 GGBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000180417810 1429863164 /nfs/dbraw/zinc/86/31/64/1429863164.db2.gz KCEBIXGHVIADOP-GFCCVEGCSA-N 1 0 388.380 3.191 20 5 GGBDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(OC(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180420995 1429864449 /nfs/dbraw/zinc/86/44/49/1429864449.db2.gz QQXQYXJMAJPDKL-GFCCVEGCSA-N 1 0 379.363 3.163 20 5 GGBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000180422399 1429864941 /nfs/dbraw/zinc/86/49/41/1429864941.db2.gz PILMSHQJUUXMQU-UHFFFAOYSA-N 1 0 398.463 3.134 20 5 GGBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(N2CCCCC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000180424512 1429865445 /nfs/dbraw/zinc/86/54/45/1429865445.db2.gz WGBIOBYLCQTRLG-HNNXBMFYSA-N 1 0 383.452 3.269 20 5 GGBDRO CCOc1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000180425307 1429866349 /nfs/dbraw/zinc/86/63/49/1429866349.db2.gz ICAZDYUCWUPHEU-CQSZACIVSA-N 1 0 387.436 3.083 20 5 GGBDRO COc1cc(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC000180430487 1429867366 /nfs/dbraw/zinc/86/73/66/1429867366.db2.gz OMTLDBUBQFIGHE-UHFFFAOYSA-N 1 0 398.463 3.377 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000180431004 1429867767 /nfs/dbraw/zinc/86/77/67/1429867767.db2.gz YVKMIHWCEIOQPY-UHFFFAOYSA-N 1 0 398.463 3.377 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180484460 1429880287 /nfs/dbraw/zinc/88/02/87/1429880287.db2.gz JBRVBFZEHYZALX-UHFFFAOYSA-N 1 0 397.353 3.481 20 5 GGBDRO CSc1ccc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC000180556238 1429896736 /nfs/dbraw/zinc/89/67/36/1429896736.db2.gz FUENCBRGDFGTIQ-UHFFFAOYSA-N 1 0 386.477 3.358 20 5 GGBDRO CC1CC[NH+]([C@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000180597854 1429922324 /nfs/dbraw/zinc/92/23/24/1429922324.db2.gz CJRWXGXLDVNHLD-MRXNPFEDSA-N 1 0 388.493 3.442 20 5 GGBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000180628775 1429942241 /nfs/dbraw/zinc/94/22/41/1429942241.db2.gz BWWUCJKJJIWPOJ-QGZVFWFLSA-N 1 0 385.420 3.436 20 5 GGBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000180644064 1429951193 /nfs/dbraw/zinc/95/11/93/1429951193.db2.gz UEQBKAZNEXTHOX-HIFRSBDPSA-N 1 0 385.420 3.434 20 5 GGBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000180644079 1429951941 /nfs/dbraw/zinc/95/19/41/1429951941.db2.gz UEQBKAZNEXTHOX-UKRRQHHQSA-N 1 0 385.420 3.434 20 5 GGBDRO O=C(NCCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(F)cc1 ZINC000180721411 1430000335 /nfs/dbraw/zinc/00/03/35/1430000335.db2.gz LPHWDGWWUSEKGQ-LJQANCHMSA-N 1 0 385.439 3.465 20 5 GGBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000180723761 1430001571 /nfs/dbraw/zinc/00/15/71/1430001571.db2.gz YKZZRAHGXYVQER-UHFFFAOYSA-N 1 0 382.464 3.483 20 5 GGBDRO CC[NH+](CC)CCCC1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000180760153 1430023210 /nfs/dbraw/zinc/02/32/10/1430023210.db2.gz WZMNKYSUHBFINP-UHFFFAOYSA-N 1 0 387.484 3.445 20 5 GGBDRO O=C(NCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1c(F)cccc1F ZINC000180787316 1430039981 /nfs/dbraw/zinc/03/99/81/1430039981.db2.gz PBWJOGJRXFMLMA-QGZVFWFLSA-N 1 0 389.402 3.214 20 5 GGBDRO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(-n2cccn2)cc1 ZINC000180822982 1430058519 /nfs/dbraw/zinc/05/85/19/1430058519.db2.gz PVURXJGDZAAOHK-HNNXBMFYSA-N 1 0 391.431 3.020 20 5 GGBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180833531 1430062397 /nfs/dbraw/zinc/06/23/97/1430062397.db2.gz KOBRLUCISQYMSY-QGZVFWFLSA-N 1 0 382.464 3.161 20 5 GGBDRO COc1cc(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000180850619 1430069483 /nfs/dbraw/zinc/06/94/83/1430069483.db2.gz FWJSPOOFNWWFMJ-WBVHZDCISA-N 1 0 386.448 3.385 20 5 GGBDRO COc1ccc([C@@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])[NH+]2CCCCC2)cc1 ZINC000180885214 1430088753 /nfs/dbraw/zinc/08/87/53/1430088753.db2.gz FCNGNBQUVZUPGS-LJQANCHMSA-N 1 0 398.463 3.143 20 5 GGBDRO COc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3C)C2=O)cc1 ZINC000180914729 1430111292 /nfs/dbraw/zinc/11/12/92/1430111292.db2.gz KIEABOFDRPZNEM-KXBFYZLASA-N 1 0 383.448 3.364 20 5 GGBDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180919474 1430114428 /nfs/dbraw/zinc/11/44/28/1430114428.db2.gz KEPPAZRRTJFKDE-UHFFFAOYSA-N 1 0 383.404 3.214 20 5 GGBDRO CC[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000180923253 1430117364 /nfs/dbraw/zinc/11/73/64/1430117364.db2.gz DUDLMELTQZDSJO-WOJBJXKFSA-N 1 0 383.448 3.445 20 5 GGBDRO CC[C@H]([NH2+][C@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000180923270 1430117515 /nfs/dbraw/zinc/11/75/15/1430117515.db2.gz DUDLMELTQZDSJO-PMACEKPBSA-N 1 0 383.448 3.445 20 5 GGBDRO CC[C@H]([NH2+][C@@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000180923231 1430117808 /nfs/dbraw/zinc/11/78/08/1430117808.db2.gz DUDLMELTQZDSJO-VQTJNVASSA-N 1 0 383.448 3.445 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180933267 1430121993 /nfs/dbraw/zinc/12/19/93/1430121993.db2.gz SAJSITUVZVLSEN-OAHLLOKOSA-N 1 0 382.464 3.481 20 5 GGBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)cc1 ZINC000180942222 1430126916 /nfs/dbraw/zinc/12/69/16/1430126916.db2.gz MENRUNNZKZIEKE-NSHDSACASA-N 1 0 397.353 3.486 20 5 GGBDRO COc1ccccc1[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000180954408 1430133441 /nfs/dbraw/zinc/13/34/41/1430133441.db2.gz RMPNJOADGLZBQN-SFHVURJKSA-N 1 0 398.463 3.143 20 5 GGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCc1nc2cc(F)ccc2n1C ZINC000181004854 1430163134 /nfs/dbraw/zinc/16/31/34/1430163134.db2.gz BRBTYHKRGXSNGO-CYBMUJFWSA-N 1 0 399.426 3.170 20 5 GGBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](c2cccc(Cl)c2)C2CCCC2)c1 ZINC000181048074 1430184258 /nfs/dbraw/zinc/18/42/58/1430184258.db2.gz KLPIARUUQPEDAM-ROUUACIJSA-N 1 0 378.860 3.327 20 5 GGBDRO CCOc1ccc([C@@H](C)[NH2+]CCCNC(=O)c2occc2C)cc1[N+](=O)[O-] ZINC000181073743 1430198535 /nfs/dbraw/zinc/19/85/35/1430198535.db2.gz UDNWZBXXOIZCBE-CQSZACIVSA-N 1 0 375.425 3.366 20 5 GGBDRO CCOc1ccc([C@H](C)[NH2+]CCCNC(=O)c2occc2C)cc1[N+](=O)[O-] ZINC000181073763 1430198832 /nfs/dbraw/zinc/19/88/32/1430198832.db2.gz UDNWZBXXOIZCBE-AWEZNQCLSA-N 1 0 375.425 3.366 20 5 GGBDRO COc1cc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OCC(F)F ZINC000181092027 1430207110 /nfs/dbraw/zinc/20/71/10/1430207110.db2.gz BVBLCRWZSWGFKT-WFASDCNBSA-N 1 0 388.411 3.230 20 5 GGBDRO COc1cc(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OCC(F)F ZINC000181092050 1430207144 /nfs/dbraw/zinc/20/71/44/1430207144.db2.gz BVBLCRWZSWGFKT-DOMZBBRYSA-N 1 0 388.411 3.230 20 5 GGBDRO C[C@@H]1C[C@H](N(C)C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000181109281 1430213899 /nfs/dbraw/zinc/21/38/99/1430213899.db2.gz HDRXYNLRELOYQI-NVXWUHKLSA-N 1 0 382.464 3.302 20 5 GGBDRO Cc1ccc(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c(C[NH+](C)C)c1 ZINC000181133189 1430221245 /nfs/dbraw/zinc/22/12/45/1430221245.db2.gz OECIXKWVHNIRGK-LJQANCHMSA-N 1 0 382.420 3.097 20 5 GGBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1OC(F)F ZINC000181145274 1430225794 /nfs/dbraw/zinc/22/57/94/1430225794.db2.gz UKDBPMKGQORNQU-MRXNPFEDSA-N 1 0 393.390 3.375 20 5 GGBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1OC(F)F ZINC000181145256 1430225827 /nfs/dbraw/zinc/22/58/27/1430225827.db2.gz UKDBPMKGQORNQU-INIZCTEOSA-N 1 0 393.390 3.375 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000181210757 1430248858 /nfs/dbraw/zinc/24/88/58/1430248858.db2.gz WSGGLBGZDNEHNB-LRQRDZAKSA-N 1 0 386.448 3.092 20 5 GGBDRO CN(C(=O)C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000181216452 1430249878 /nfs/dbraw/zinc/24/98/78/1430249878.db2.gz GCSNVPHXBPSDSV-JXFKEZNVSA-N 1 0 383.448 3.315 20 5 GGBDRO CN(C(=O)C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000181216468 1430249962 /nfs/dbraw/zinc/24/99/62/1430249962.db2.gz GCSNVPHXBPSDSV-OXJNMPFZSA-N 1 0 383.448 3.315 20 5 GGBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000181236916 1430254121 /nfs/dbraw/zinc/25/41/21/1430254121.db2.gz LNPZPEQOKRPRCT-BEFAXECRSA-N 1 0 399.447 3.299 20 5 GGBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000181245318 1430255803 /nfs/dbraw/zinc/25/58/03/1430255803.db2.gz FFPAJYBMAQIOHQ-UHFFFAOYSA-N 1 0 397.479 3.167 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(N2CCCC2=O)c1 ZINC000181426525 1430295900 /nfs/dbraw/zinc/29/59/00/1430295900.db2.gz DWYDGFFTIBAHCU-CABCVRRESA-N 1 0 396.447 3.399 20 5 GGBDRO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc(N2CCCC2=O)c1 ZINC000181426843 1430295981 /nfs/dbraw/zinc/29/59/81/1430295981.db2.gz ILQPJRHKXAHURZ-HNNXBMFYSA-N 1 0 396.447 3.035 20 5 GGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cn(-c3ccc(F)c(Cl)c3)nn2)cc1 ZINC000181523384 1430314995 /nfs/dbraw/zinc/31/49/95/1430314995.db2.gz SOPKQRZGRHMAQK-UHFFFAOYSA-N 1 0 375.791 3.300 20 5 GGBDRO O=C1[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCCN1CC(F)(F)F ZINC000181525934 1430315460 /nfs/dbraw/zinc/31/54/60/1430315460.db2.gz WVJKNKJWJINZQD-FVQBIDKESA-N 1 0 399.413 3.449 20 5 GGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)cc1[N+](=O)[O-] ZINC000181526034 1430315507 /nfs/dbraw/zinc/31/55/07/1430315507.db2.gz DYWKLLUDAOUSGB-AAEUAGOBSA-N 1 0 389.374 3.197 20 5 GGBDRO C[N@H+](Cc1ccccc1)CC(C)(C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000181533738 1430316706 /nfs/dbraw/zinc/31/67/06/1430316706.db2.gz FRTVRHOKTWHMKZ-UHFFFAOYSA-N 1 0 397.522 3.382 20 5 GGBDRO COc1cccc(C2CC[NH+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000181647369 1430334392 /nfs/dbraw/zinc/33/43/92/1430334392.db2.gz YMTWRLIHJNVIRL-GOSISDBHSA-N 1 0 386.448 3.223 20 5 GGBDRO C[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181670908 1430339011 /nfs/dbraw/zinc/33/90/11/1430339011.db2.gz MLTZHFALBYQXAU-JKSUJKDBSA-N 1 0 397.479 3.163 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000181808486 1430364910 /nfs/dbraw/zinc/36/49/10/1430364910.db2.gz BIQGQYPTMZJWED-ROUUACIJSA-N 1 0 396.491 3.197 20 5 GGBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Oc2ccccc2)cc1 ZINC000181818220 1430366615 /nfs/dbraw/zinc/36/66/15/1430366615.db2.gz KJJXLIRRYYDRII-QAPCUYQASA-N 1 0 382.420 3.295 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181819898 1430366884 /nfs/dbraw/zinc/36/68/84/1430366884.db2.gz SLKURSWAPBHJEW-LBPRGKRZSA-N 1 0 388.380 3.109 20 5 GGBDRO COc1cccc(S(=O)(=O)CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000181818642 1430367024 /nfs/dbraw/zinc/36/70/24/1430367024.db2.gz RDQMHQZFMNAXDB-CQSZACIVSA-N 1 0 378.450 3.036 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+]CCCOc2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000181827656 1430368560 /nfs/dbraw/zinc/36/85/60/1430368560.db2.gz FHFJZGCCZLZYTH-HNNXBMFYSA-N 1 0 392.477 3.426 20 5 GGBDRO CCOCc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181828457 1430368627 /nfs/dbraw/zinc/36/86/27/1430368627.db2.gz OQTBDGXZDHPVHI-INIZCTEOSA-N 1 0 385.464 3.407 20 5 GGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2N2CCCC2=O)cc1[N+](=O)[O-] ZINC000181834654 1430369788 /nfs/dbraw/zinc/36/97/88/1430369788.db2.gz NCOGAWNHKVVLKE-OAHLLOKOSA-N 1 0 396.447 3.319 20 5 GGBDRO Cc1ccc([C@@H](C)[NH2+]CCOc2cccc(S(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000181837390 1430370023 /nfs/dbraw/zinc/37/00/23/1430370023.db2.gz CZIRPCIXHPSBFQ-CQSZACIVSA-N 1 0 378.450 3.036 20 5 GGBDRO COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000181838566 1430370300 /nfs/dbraw/zinc/37/03/00/1430370300.db2.gz SQEHNRCXPPOLAX-CQSZACIVSA-N 1 0 385.420 3.288 20 5 GGBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000181842905 1430370796 /nfs/dbraw/zinc/37/07/96/1430370796.db2.gz NHSUHMCXILOHRU-LBPRGKRZSA-N 1 0 388.380 3.109 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000181867772 1430374426 /nfs/dbraw/zinc/37/44/26/1430374426.db2.gz HRMYKZHGWBEYGE-OAHLLOKOSA-N 1 0 398.463 3.493 20 5 GGBDRO CCC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000181870512 1430375068 /nfs/dbraw/zinc/37/50/68/1430375068.db2.gz UFWNKIPBYHYAQJ-HZPDHXFCSA-N 1 0 386.374 3.302 20 5 GGBDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccc(N2CCCC2)c1 ZINC000181872895 1430375385 /nfs/dbraw/zinc/37/53/85/1430375385.db2.gz HGUUGPJQIJEHAT-MRXNPFEDSA-N 1 0 394.475 3.435 20 5 GGBDRO CC(C)[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000181899077 1430379875 /nfs/dbraw/zinc/37/98/75/1430379875.db2.gz KWUSSBRBMAEMLY-CVEARBPZSA-N 1 0 386.374 3.158 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000181902773 1430380739 /nfs/dbraw/zinc/38/07/39/1430380739.db2.gz WQQIBRYLEBPOQU-GJZGRUSLSA-N 1 0 389.452 3.050 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000181902754 1430380838 /nfs/dbraw/zinc/38/08/38/1430380838.db2.gz WQQIBRYLEBPOQU-CABCVRRESA-N 1 0 389.452 3.050 20 5 GGBDRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000181917096 1430382873 /nfs/dbraw/zinc/38/28/73/1430382873.db2.gz WDIJZRQIJZIKPH-OALUTQOASA-N 1 0 385.464 3.238 20 5 GGBDRO Cc1c(CC(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)cccc1[N+](=O)[O-] ZINC000182064211 1430404589 /nfs/dbraw/zinc/40/45/89/1430404589.db2.gz VFTOSYZRBRRWSL-UHFFFAOYSA-N 1 0 383.448 3.041 20 5 GGBDRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000182064269 1430404755 /nfs/dbraw/zinc/40/47/55/1430404755.db2.gz GKVLXROCHOFIED-UHFFFAOYSA-N 1 0 389.839 3.457 20 5 GGBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182103549 1430412586 /nfs/dbraw/zinc/41/25/86/1430412586.db2.gz ZURFNSNNELZXCZ-IYBDPMFKSA-N 1 0 380.920 3.239 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000182178825 1430425038 /nfs/dbraw/zinc/42/50/38/1430425038.db2.gz MWHXDWKPTOTUMX-CVEARBPZSA-N 1 0 392.477 3.077 20 5 GGBDRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1 ZINC000182178183 1430425096 /nfs/dbraw/zinc/42/50/96/1430425096.db2.gz PBSWMZZSUPDADK-SFHVURJKSA-N 1 0 378.450 3.118 20 5 GGBDRO COc1ccc(Cl)cc1C[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182190210 1430427132 /nfs/dbraw/zinc/42/71/32/1430427132.db2.gz JEKPWECQRGVVLW-OAHLLOKOSA-N 1 0 380.828 3.129 20 5 GGBDRO COc1ccc([C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000182197667 1430428362 /nfs/dbraw/zinc/42/83/62/1430428362.db2.gz OGGKBGNVCOEWCA-IBGZPJMESA-N 1 0 390.461 3.118 20 5 GGBDRO C[N@@H+](Cc1ccccc1C(F)(F)F)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182203172 1430429429 /nfs/dbraw/zinc/42/94/29/1430429429.db2.gz JTUQVJWJEHZEJP-CQSZACIVSA-N 1 0 384.354 3.485 20 5 GGBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000182204781 1430429507 /nfs/dbraw/zinc/42/95/07/1430429507.db2.gz WGPHQMPIXIZMLD-TZMCWYRMSA-N 1 0 382.363 3.287 20 5 GGBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000182204729 1430429597 /nfs/dbraw/zinc/42/95/97/1430429597.db2.gz WGPHQMPIXIZMLD-JSGCOSHPSA-N 1 0 382.363 3.287 20 5 GGBDRO C[N@@H+](Cc1ccccc1C(F)(F)F)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182203151 1430429601 /nfs/dbraw/zinc/42/96/01/1430429601.db2.gz JTUQVJWJEHZEJP-AWEZNQCLSA-N 1 0 384.354 3.485 20 5 GGBDRO CCc1nc2c(s1)[C@@H]([N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC000182205957 1430429830 /nfs/dbraw/zinc/42/98/30/1430429830.db2.gz VGMINFQVEUJBMY-BBRMVZONSA-N 1 0 391.493 3.363 20 5 GGBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000182211402 1430430463 /nfs/dbraw/zinc/43/04/63/1430430463.db2.gz XCEROSKCMXCBPZ-TZMCWYRMSA-N 1 0 382.363 3.287 20 5 GGBDRO C[C@@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000182289299 1430443112 /nfs/dbraw/zinc/44/31/12/1430443112.db2.gz NALQLXKPTVWZMZ-DYVFJYSZSA-N 1 0 375.400 3.384 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)c1 ZINC000182351721 1430452547 /nfs/dbraw/zinc/45/25/47/1430452547.db2.gz BTINYKDFMLHVQP-UHFFFAOYSA-N 1 0 398.463 3.386 20 5 GGBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCCC2)c1 ZINC000182562648 1430492975 /nfs/dbraw/zinc/49/29/75/1430492975.db2.gz AGLBHMKUPGUNQP-QZTJIDSGSA-N 1 0 378.860 3.327 20 5 GGBDRO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000182582038 1430497183 /nfs/dbraw/zinc/49/71/83/1430497183.db2.gz ZKQKWCLKWVBTPF-MLGOLLRUSA-N 1 0 395.406 3.285 20 5 GGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c2c(c1)COCO2 ZINC000182696151 1430519904 /nfs/dbraw/zinc/51/99/04/1430519904.db2.gz GWZQUHPMRWYYJZ-IEBWSBKVSA-N 1 0 392.358 3.359 20 5 GGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000182819235 1430546328 /nfs/dbraw/zinc/54/63/28/1430546328.db2.gz DKYRYPYLFBANOW-GJZGRUSLSA-N 1 0 384.358 3.181 20 5 GGBDRO Cc1c(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000182880063 1430561055 /nfs/dbraw/zinc/56/10/55/1430561055.db2.gz LZFTXQBBGPUIJW-GOSISDBHSA-N 1 0 398.463 3.182 20 5 GGBDRO Cc1cc(NCc2cccnc2N2CC[NH+](C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000182923106 1430572578 /nfs/dbraw/zinc/57/25/78/1430572578.db2.gz AQASTBVXYLRVLU-UHFFFAOYSA-N 1 0 392.463 3.210 20 5 GGBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1C ZINC000183018758 1430594031 /nfs/dbraw/zinc/59/40/31/1430594031.db2.gz RIZUJNDZRYYUDZ-CVEARBPZSA-N 1 0 395.525 3.143 20 5 GGBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1C ZINC000183018694 1430594116 /nfs/dbraw/zinc/59/41/16/1430594116.db2.gz RIZUJNDZRYYUDZ-JKSUJKDBSA-N 1 0 395.525 3.143 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC[C@H](C)[NH+]2CCCCC2)cc1SC ZINC000183134430 1430624680 /nfs/dbraw/zinc/62/46/80/1430624680.db2.gz MFPWMJKKCOSLMD-ZDUSSCGKSA-N 1 0 381.498 3.320 20 5 GGBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000183232943 1430655040 /nfs/dbraw/zinc/65/50/40/1430655040.db2.gz YLCFWMDBVCMCAZ-LJQANCHMSA-N 1 0 382.420 3.097 20 5 GGBDRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CC1 ZINC000183441963 1430713135 /nfs/dbraw/zinc/71/31/35/1430713135.db2.gz VYXJOSZQLJBIPD-ABAIWWIYSA-N 1 0 390.465 3.060 20 5 GGBDRO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000183450338 1430714815 /nfs/dbraw/zinc/71/48/15/1430714815.db2.gz SPWLKAVTBFIYKV-UONOGXRCSA-N 1 0 385.420 3.449 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](c1nc(C)cs1)C1CC1 ZINC000183492577 1430726412 /nfs/dbraw/zinc/72/64/12/1430726412.db2.gz KYSVLXIKVIZXFX-QGZVFWFLSA-N 1 0 390.465 3.438 20 5 GGBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(-n2cccn2)c1 ZINC000183578608 1430745625 /nfs/dbraw/zinc/74/56/25/1430745625.db2.gz QNFJPEDUDFKMCR-OAHLLOKOSA-N 1 0 379.420 3.460 20 5 GGBDRO COc1ccccc1[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000183589752 1430748552 /nfs/dbraw/zinc/74/85/52/1430748552.db2.gz WXCSSNFPTMGKPU-QGZVFWFLSA-N 1 0 399.451 3.347 20 5 GGBDRO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc(-n2cccn2)c1 ZINC000183588880 1430748802 /nfs/dbraw/zinc/74/88/02/1430748802.db2.gz SJDPUOXUWBONAS-HNNXBMFYSA-N 1 0 379.420 3.094 20 5 GGBDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183592066 1430749093 /nfs/dbraw/zinc/74/90/93/1430749093.db2.gz MNCVLUHGRCVQJG-UHFFFAOYSA-N 1 0 383.452 3.366 20 5 GGBDRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)Nc1ccncc1[N+](=O)[O-] ZINC000183617444 1430755490 /nfs/dbraw/zinc/75/54/90/1430755490.db2.gz KSPZQMGAVUCHCS-UHFFFAOYSA-N 1 0 375.454 3.085 20 5 GGBDRO C[C@@H]([NH2+]C1(CNC(=O)Nc2ccncc2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000183644101 1430761835 /nfs/dbraw/zinc/76/18/35/1430761835.db2.gz YGWSRVBELHOWDU-OAHLLOKOSA-N 1 0 399.451 3.011 20 5 GGBDRO O=C1COc2ccccc2N1CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000183817261 1430800602 /nfs/dbraw/zinc/80/06/02/1430800602.db2.gz LXWSWAIVMIZOFE-UHFFFAOYSA-N 1 0 375.812 3.154 20 5 GGBDRO CC1([C@@H]2CCC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)OCCO1 ZINC000183877091 1430807860 /nfs/dbraw/zinc/80/78/60/1430807860.db2.gz NHLVTTKBBPPQLZ-MRXNPFEDSA-N 1 0 387.436 3.267 20 5 GGBDRO COc1ccc(NC(=O)CC[NH2+]C(C)(C)c2ncc(C)s2)c([N+](=O)[O-])c1 ZINC000183939742 1430815907 /nfs/dbraw/zinc/81/59/07/1430815907.db2.gz KAXXXJALENSQRG-UHFFFAOYSA-N 1 0 378.454 3.222 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@@H](C)c1nccs1 ZINC000183967612 1430820112 /nfs/dbraw/zinc/82/01/12/1430820112.db2.gz KVQAITDXEWGORL-GFCCVEGCSA-N 1 0 378.454 3.124 20 5 GGBDRO Cc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1NC(=O)CC[NH+](C)C ZINC000184100807 1430841168 /nfs/dbraw/zinc/84/11/68/1430841168.db2.gz JUXKOMFBQZQNDW-UHFFFAOYSA-N 1 0 385.424 3.437 20 5 GGBDRO COc1cc(CN2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c([N+](=O)[O-])cc1F ZINC000184195886 1430854519 /nfs/dbraw/zinc/85/45/19/1430854519.db2.gz UNZPRUQFZAHBFD-GASCZTMLSA-N 1 0 395.475 3.064 20 5 GGBDRO COc1cc(C[NH2+][C@H](C)C[S@](C)=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000184264780 1430864666 /nfs/dbraw/zinc/86/46/66/1430864666.db2.gz DTUZXPREBANSIR-ASHKIFAZSA-N 1 0 392.477 3.039 20 5 GGBDRO COc1ccccc1S(=O)(=O)CCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000184311369 1430871779 /nfs/dbraw/zinc/87/17/79/1430871779.db2.gz YNZUOFTWOPNPCA-OAHLLOKOSA-N 1 0 392.477 3.426 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000184350756 1430876591 /nfs/dbraw/zinc/87/65/91/1430876591.db2.gz WCCWTUDVLXQJJG-APWZRJJASA-N 1 0 382.464 3.257 20 5 GGBDRO C[NH+](C)[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000184351334 1430876786 /nfs/dbraw/zinc/87/67/86/1430876786.db2.gz ZQRPDYMABGBCAK-INIZCTEOSA-N 1 0 396.369 3.427 20 5 GGBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc2ccccc2c2cccnc12 ZINC000184360714 1430878013 /nfs/dbraw/zinc/87/80/13/1430878013.db2.gz ZZLRYLZCBLBGBZ-QGZVFWFLSA-N 1 0 376.504 3.144 20 5 GGBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc2ccccc2c2cccnc12 ZINC000184360696 1430878107 /nfs/dbraw/zinc/87/81/07/1430878107.db2.gz ZZLRYLZCBLBGBZ-KRWDZBQOSA-N 1 0 376.504 3.144 20 5 GGBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000184369636 1430879456 /nfs/dbraw/zinc/87/94/56/1430879456.db2.gz OEROMPCFHDYHRZ-CYBMUJFWSA-N 1 0 378.454 3.438 20 5 GGBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC000184445090 1430888625 /nfs/dbraw/zinc/88/86/25/1430888625.db2.gz WHSFGZFHLQBMIU-JSGCOSHPSA-N 1 0 379.482 3.439 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000184486128 1430893254 /nfs/dbraw/zinc/89/32/54/1430893254.db2.gz PVTSYCZBCRSKQG-SJORKVTESA-N 1 0 395.525 3.011 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000184495250 1430894736 /nfs/dbraw/zinc/89/47/36/1430894736.db2.gz ORLNTJRIAVZWBA-INIZCTEOSA-N 1 0 391.468 3.286 20 5 GGBDRO CSCC[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000184596902 1430913612 /nfs/dbraw/zinc/91/36/12/1430913612.db2.gz VQCAUOWWWZYEGY-INIZCTEOSA-N 1 0 387.465 3.100 20 5 GGBDRO Cc1cc(NC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)ccc1[N+](=O)[O-] ZINC000184602966 1430916366 /nfs/dbraw/zinc/91/63/66/1430916366.db2.gz AULOZBIWEOKMQG-UHFFFAOYSA-N 1 0 398.463 3.182 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000184647857 1430929305 /nfs/dbraw/zinc/92/93/05/1430929305.db2.gz NGJJFOUOFCTQQA-KRWDZBQOSA-N 1 0 394.834 3.489 20 5 GGBDRO C[C@H](C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000184770505 1430971970 /nfs/dbraw/zinc/97/19/70/1430971970.db2.gz WEVPDNQVSFOZLM-SGTLLEGYSA-N 1 0 377.391 3.396 20 5 GGBDRO CCc1ccc([C@@H](COC)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)o1 ZINC000184781932 1430975430 /nfs/dbraw/zinc/97/54/30/1430975430.db2.gz HQSOILIZRALZPY-MRXNPFEDSA-N 1 0 391.424 3.065 20 5 GGBDRO CCc1ccc([C@H](COC)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)o1 ZINC000184781948 1430976363 /nfs/dbraw/zinc/97/63/63/1430976363.db2.gz HQSOILIZRALZPY-INIZCTEOSA-N 1 0 391.424 3.065 20 5 GGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000184843039 1431000312 /nfs/dbraw/zinc/00/03/12/1431000312.db2.gz LDKOEFYSHKQZST-ZHALLVOQSA-N 1 0 391.512 3.169 20 5 GGBDRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000184873888 1431009117 /nfs/dbraw/zinc/00/91/17/1431009117.db2.gz BIFQZFKODFURKZ-UHFFFAOYSA-N 1 0 397.541 3.259 20 5 GGBDRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000184945624 1431027822 /nfs/dbraw/zinc/02/78/22/1431027822.db2.gz XILVWIHQDFSLOS-ZWKOTPCHSA-N 1 0 386.477 3.096 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000184984054 1431036491 /nfs/dbraw/zinc/03/64/91/1431036491.db2.gz HFTYKAXEGNRMKM-MJXNMMHHSA-N 1 0 397.431 3.205 20 5 GGBDRO C[C@H](C(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185030982 1431045104 /nfs/dbraw/zinc/04/51/04/1431045104.db2.gz HOVYDTWYKNYZBO-AWEZNQCLSA-N 1 0 386.427 3.013 20 5 GGBDRO C[C@@H](C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000185038448 1431046754 /nfs/dbraw/zinc/04/67/54/1431046754.db2.gz ZDKMGQHIMXNGSP-KZULUSFZSA-N 1 0 377.391 3.396 20 5 GGBDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000185299647 1431104525 /nfs/dbraw/zinc/10/45/25/1431104525.db2.gz HDHCNCDZDQVRIQ-LJQANCHMSA-N 1 0 383.448 3.000 20 5 GGBDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000185299626 1431104833 /nfs/dbraw/zinc/10/48/33/1431104833.db2.gz HDHCNCDZDQVRIQ-IBGZPJMESA-N 1 0 383.448 3.000 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)c1 ZINC000185322755 1431114627 /nfs/dbraw/zinc/11/46/27/1431114627.db2.gz TZFFVQDNJSMOQL-ZFWWWQNUSA-N 1 0 378.375 3.102 20 5 GGBDRO COc1ccc(CSCC(=O)N[C@H](C)C[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000185412295 1431138893 /nfs/dbraw/zinc/13/88/93/1431138893.db2.gz VPEYLQCSDWBKTN-OAHLLOKOSA-N 1 0 395.525 3.217 20 5 GGBDRO COc1ccc(CSCC(=O)N[C@@H](C)C[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000185412280 1431139196 /nfs/dbraw/zinc/13/91/96/1431139196.db2.gz VPEYLQCSDWBKTN-HNNXBMFYSA-N 1 0 395.525 3.217 20 5 GGBDRO Cn1cc([C@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)cn1 ZINC000185419767 1431141893 /nfs/dbraw/zinc/14/18/93/1431141893.db2.gz VBFSYPREMIXJHG-HXUWFJFHSA-N 1 0 397.410 3.175 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000185421941 1431142471 /nfs/dbraw/zinc/14/24/71/1431142471.db2.gz YRBSOAXRDZHAOX-LIRRHRJNSA-N 1 0 380.448 3.412 20 5 GGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000185427067 1431143314 /nfs/dbraw/zinc/14/33/14/1431143314.db2.gz SQBWCISWYXMDDC-LJQANCHMSA-N 1 0 396.491 3.339 20 5 GGBDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000185519793 1431163346 /nfs/dbraw/zinc/16/33/46/1431163346.db2.gz JRGKDXUHIVLYLL-UHFFFAOYSA-N 1 0 398.463 3.227 20 5 GGBDRO C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185539488 1431167068 /nfs/dbraw/zinc/16/70/68/1431167068.db2.gz FDCRDFRNFWHHQE-IQUTYRLHSA-N 1 0 375.444 3.313 20 5 GGBDRO COc1cc(C[N@@H+]2CC[C@@H](Nc3cccc(OC)c3[N+](=O)[O-])C2)cc(OC)c1 ZINC000185549980 1431168953 /nfs/dbraw/zinc/16/89/53/1431168953.db2.gz YCDZZHNXKGWHOP-OAHLLOKOSA-N 1 0 387.436 3.307 20 5 GGBDRO COc1cc(C[N@@H+]2CC[C@H](Nc3cccc(OC)c3[N+](=O)[O-])C2)cc(OC)c1 ZINC000185550003 1431169102 /nfs/dbraw/zinc/16/91/02/1431169102.db2.gz YCDZZHNXKGWHOP-HNNXBMFYSA-N 1 0 387.436 3.307 20 5 GGBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000185631510 1431189076 /nfs/dbraw/zinc/18/90/76/1431189076.db2.gz ANQQKNILJNUKKG-RISCZKNCSA-N 1 0 375.812 3.341 20 5 GGBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000185631532 1431189328 /nfs/dbraw/zinc/18/93/28/1431189328.db2.gz ANQQKNILJNUKKG-SMDDNHRTSA-N 1 0 375.812 3.341 20 5 GGBDRO C[C@@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185689769 1431207013 /nfs/dbraw/zinc/20/70/13/1431207013.db2.gz WUILGIXWGOFZKM-GDBMZVCRSA-N 1 0 385.468 3.387 20 5 GGBDRO Cc1c(NC(=O)[C@@H](C)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000185729177 1431217534 /nfs/dbraw/zinc/21/75/34/1431217534.db2.gz YPINAUVXJACSLP-BRWVUGGUSA-N 1 0 388.512 3.473 20 5 GGBDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185732155 1431217975 /nfs/dbraw/zinc/21/79/75/1431217975.db2.gz GEGZXNPTKBRKFD-UHFFFAOYSA-N 1 0 397.884 3.001 20 5 GGBDRO C[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185752068 1431224418 /nfs/dbraw/zinc/22/44/18/1431224418.db2.gz ZZEQVQWVQMVEND-UONOGXRCSA-N 1 0 394.903 3.429 20 5 GGBDRO C[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185754319 1431225664 /nfs/dbraw/zinc/22/56/64/1431225664.db2.gz GTKGXOOJSMHCLI-ZBFHGGJFSA-N 1 0 385.468 3.387 20 5 GGBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000186009895 1431310872 /nfs/dbraw/zinc/31/08/72/1431310872.db2.gz LGXVPGAGOUPCKI-KDOFPFPSSA-N 1 0 392.887 3.407 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000186029604 1431314110 /nfs/dbraw/zinc/31/41/10/1431314110.db2.gz DMOSRXGKSMUXJK-UHFFFAOYSA-N 1 0 387.358 3.075 20 5 GGBDRO Cc1ccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)cc1NC(=O)CC[NH+](C)C ZINC000186234872 1431358817 /nfs/dbraw/zinc/35/88/17/1431358817.db2.gz RUOJJYUENIQJLE-UHFFFAOYSA-N 1 0 398.463 3.365 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)cc1SC ZINC000186250070 1431362575 /nfs/dbraw/zinc/36/25/75/1431362575.db2.gz AONWPCOZWFILBC-ZDUSSCGKSA-N 1 0 381.498 3.320 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCC2=CC[NH2+]CC2)cc1 ZINC000186310196 1431378524 /nfs/dbraw/zinc/37/85/24/1431378524.db2.gz NJACJRDEZMGVFU-UHFFFAOYSA-N 1 0 383.404 3.045 20 5 GGBDRO C[N@H+](Cc1ccccc1)[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])C1CC1 ZINC000186417048 1431410479 /nfs/dbraw/zinc/41/04/79/1431410479.db2.gz JBDDBYSADJFVLH-HXUWFJFHSA-N 1 0 393.447 3.154 20 5 GGBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186567011 1431455651 /nfs/dbraw/zinc/45/56/51/1431455651.db2.gz QMJMYXNVJUVABB-BLRBJFNZSA-N 1 0 380.448 3.174 20 5 GGBDRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1(C)C ZINC000186576724 1431458896 /nfs/dbraw/zinc/45/88/96/1431458896.db2.gz JIFKJGWFGVPINE-APWZRJJASA-N 1 0 391.493 3.374 20 5 GGBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000186608351 1431468117 /nfs/dbraw/zinc/46/81/17/1431468117.db2.gz SMTZIALKCAAKSP-FXAWDEMLSA-N 1 0 388.489 3.370 20 5 GGBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186611996 1431468907 /nfs/dbraw/zinc/46/89/07/1431468907.db2.gz ZRZRAKZIEXLGHF-OAHLLOKOSA-N 1 0 388.855 3.428 20 5 GGBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c([N+](=O)[O-])c1 ZINC000186627345 1431473343 /nfs/dbraw/zinc/47/33/43/1431473343.db2.gz SUPMNSVCSJVUGB-NRFANRHFSA-N 1 0 397.431 3.063 20 5 GGBDRO CSc1cccc(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000186709458 1431497686 /nfs/dbraw/zinc/49/76/86/1431497686.db2.gz OMWAGMPNSGUMON-UHFFFAOYSA-N 1 0 377.441 3.318 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186716010 1431499388 /nfs/dbraw/zinc/49/93/88/1431499388.db2.gz PGVXBOIAYJDMQI-OAQYLSRUSA-N 1 0 381.432 3.363 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186716028 1431499433 /nfs/dbraw/zinc/49/94/33/1431499433.db2.gz PGVXBOIAYJDMQI-NRFANRHFSA-N 1 0 381.432 3.363 20 5 GGBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186838072 1431534463 /nfs/dbraw/zinc/53/44/63/1431534463.db2.gz RHADDJWTEJMVFN-CYBMUJFWSA-N 1 0 390.465 3.304 20 5 GGBDRO C[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H](c1ccccc1)[NH+](C)C ZINC000187233362 1431658502 /nfs/dbraw/zinc/65/85/02/1431658502.db2.gz CYHXSGIMCIJZSS-QKKBWIMNSA-N 1 0 380.448 3.426 20 5 GGBDRO C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H](c1ccccc1)[NH+](C)C ZINC000187233418 1431658877 /nfs/dbraw/zinc/65/88/77/1431658877.db2.gz CYHXSGIMCIJZSS-SPLOXXLWSA-N 1 0 380.448 3.426 20 5 GGBDRO COc1cc(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000187253956 1431667934 /nfs/dbraw/zinc/66/79/34/1431667934.db2.gz FPQDCIPPECOQIF-ORAYPTAESA-N 1 0 387.436 3.033 20 5 GGBDRO C[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](c1ccccc1)[NH+](C)C ZINC000187255589 1431668597 /nfs/dbraw/zinc/66/85/97/1431668597.db2.gz SWXDTSXWGNADMG-FOIQADDNSA-N 1 0 393.447 3.202 20 5 GGBDRO C[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187255549 1431668745 /nfs/dbraw/zinc/66/87/45/1431668745.db2.gz SWXDTSXWGNADMG-QRWLVFNGSA-N 1 0 393.447 3.202 20 5 GGBDRO C[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+](C)C ZINC000187264276 1431673055 /nfs/dbraw/zinc/67/30/55/1431673055.db2.gz CVBHPGQVMFADHV-FOIQADDNSA-N 1 0 393.447 3.202 20 5 GGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cnn(Cc4ccc(F)cc4)c3)C2)nc1 ZINC000187341352 1431702820 /nfs/dbraw/zinc/70/28/20/1431702820.db2.gz PISJSFIPRSSLKB-SFHVURJKSA-N 1 0 396.426 3.060 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)c1 ZINC000187612301 1431779059 /nfs/dbraw/zinc/77/90/59/1431779059.db2.gz QMTKNCZQJNSZDP-HXUWFJFHSA-N 1 0 383.448 3.244 20 5 GGBDRO COc1cc[nH+]c(N2CCN(C(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)c1 ZINC000187629158 1431782439 /nfs/dbraw/zinc/78/24/39/1431782439.db2.gz LHDSHJQIYKKBQY-UHFFFAOYSA-N 1 0 384.436 3.084 20 5 GGBDRO CC(C)c1ccc(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000187752597 1431808356 /nfs/dbraw/zinc/80/83/56/1431808356.db2.gz SHIIXWRQIRIQSW-UHFFFAOYSA-N 1 0 384.436 3.131 20 5 GGBDRO CSc1cccc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1[N+](=O)[O-] ZINC000188016468 1431836833 /nfs/dbraw/zinc/83/68/33/1431836833.db2.gz XZYHTQFSFSBQPD-OAHLLOKOSA-N 1 0 377.441 3.489 20 5 GGBDRO CSc1cccc(C(=O)NCc2cccc(OCC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000188066943 1431841971 /nfs/dbraw/zinc/84/19/71/1431841971.db2.gz XGTOVWDPSLFIMS-UHFFFAOYSA-N 1 0 389.477 3.187 20 5 GGBDRO CSc1cccc(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1[N+](=O)[O-] ZINC000188068356 1431842204 /nfs/dbraw/zinc/84/22/04/1431842204.db2.gz XKOXVQBTUGXXJI-UHFFFAOYSA-N 1 0 386.477 3.106 20 5 GGBDRO CC(C)c1ccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000188126534 1431850180 /nfs/dbraw/zinc/85/01/80/1431850180.db2.gz YWIMGOUCSZWTEO-UYAOXDASSA-N 1 0 389.496 3.216 20 5 GGBDRO CC(C)c1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000188126554 1431850240 /nfs/dbraw/zinc/85/02/40/1431850240.db2.gz YWIMGOUCSZWTEO-AZUAARDMSA-N 1 0 389.496 3.216 20 5 GGBDRO CC(C)c1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000188126514 1431850299 /nfs/dbraw/zinc/85/02/99/1431850299.db2.gz YWIMGOUCSZWTEO-ICSRJNTNSA-N 1 0 389.496 3.216 20 5 GGBDRO CC[NH+](CC)Cc1ccc(NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000188357550 1431876582 /nfs/dbraw/zinc/87/65/82/1431876582.db2.gz VRPOPZIKRWLKFI-UHFFFAOYSA-N 1 0 398.463 3.114 20 5 GGBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000188421605 1431882861 /nfs/dbraw/zinc/88/28/61/1431882861.db2.gz GWAVNGCJXSZBOV-UTKZUKDTSA-N 1 0 394.475 3.304 20 5 GGBDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188552759 1431894559 /nfs/dbraw/zinc/89/45/59/1431894559.db2.gz JCORIEUQBZPZHR-UHFFFAOYSA-N 1 0 395.415 3.306 20 5 GGBDRO COc1cc(C[NH2+]C[C@@H]2CC[C@H](O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000188808467 1431983408 /nfs/dbraw/zinc/98/34/08/1431983408.db2.gz UBZMZAVWSQCGRA-AEFFLSMTSA-N 1 0 386.448 3.433 20 5 GGBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)CC1(O)CCOCC1 ZINC000188832217 1431992245 /nfs/dbraw/zinc/99/22/45/1431992245.db2.gz ROGYASVQCVVWAT-UHFFFAOYSA-N 1 0 380.828 3.482 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188838248 1431994050 /nfs/dbraw/zinc/99/40/50/1431994050.db2.gz NENVZSHEUYRTTE-NRFANRHFSA-N 1 0 398.463 3.004 20 5 GGBDRO Cc1sc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000189009061 1432026390 /nfs/dbraw/zinc/02/63/90/1432026390.db2.gz JZMZMPMEXZJCNS-BXUZGUMPSA-N 1 0 381.404 3.118 20 5 GGBDRO COc1cc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000189358147 1432092677 /nfs/dbraw/zinc/09/26/77/1432092677.db2.gz KTKXPFVAUMWIAN-UXHICEINSA-N 1 0 386.448 3.431 20 5 GGBDRO COc1cc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000189358221 1432092853 /nfs/dbraw/zinc/09/28/53/1432092853.db2.gz KTKXPFVAUMWIAN-VQTJNVASSA-N 1 0 386.448 3.431 20 5 GGBDRO COc1cc(C[NH2+][C@H]2C[C@H](O)C2(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000189358169 1432092910 /nfs/dbraw/zinc/09/29/10/1432092910.db2.gz KTKXPFVAUMWIAN-PMACEKPBSA-N 1 0 386.448 3.431 20 5 GGBDRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000189426621 1432107307 /nfs/dbraw/zinc/10/73/07/1432107307.db2.gz AKHSNWYIPCWJMP-HNNXBMFYSA-N 1 0 398.463 3.253 20 5 GGBDRO O=C(NCCCCC[NH+]1CCCCC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000189715154 1432212412 /nfs/dbraw/zinc/21/24/12/1432212412.db2.gz XQEQDLQFWAYMNC-UHFFFAOYSA-N 1 0 390.484 3.024 20 5 GGBDRO O=C1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCN1Cc1ccc(F)cc1F ZINC000189785043 1432234651 /nfs/dbraw/zinc/23/46/51/1432234651.db2.gz DONSTWIHRYIIFX-GOSISDBHSA-N 1 0 375.375 3.154 20 5 GGBDRO COc1cc(C[NH2+][C@H]2CCC[C@H]2CCO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000189968391 1432292814 /nfs/dbraw/zinc/29/28/14/1432292814.db2.gz DFEPKVHFTLLTJT-AAEUAGOBSA-N 1 0 392.374 3.185 20 5 GGBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000189969976 1432293150 /nfs/dbraw/zinc/29/31/50/1432293150.db2.gz OAGUUCKQKUEPLM-UHFFFAOYSA-N 1 0 395.525 3.091 20 5 GGBDRO CCOC(=O)[C@@](C)(C[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000189987316 1432300277 /nfs/dbraw/zinc/30/02/77/1432300277.db2.gz NNYGLQKROZVUPP-BTYIYWSLSA-N 1 0 399.447 3.032 20 5 GGBDRO CCOC(=O)[C@](C)(C[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000189987333 1432300305 /nfs/dbraw/zinc/30/03/05/1432300305.db2.gz NNYGLQKROZVUPP-YCRPNKLZSA-N 1 0 399.447 3.032 20 5 GGBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000190121811 1432323464 /nfs/dbraw/zinc/32/34/64/1432323464.db2.gz BEBBIBLKRXYECG-HOTGVXAUSA-N 1 0 395.525 3.143 20 5 GGBDRO COC(=O)c1cnc(NCC2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000190170043 1432332624 /nfs/dbraw/zinc/33/26/24/1432332624.db2.gz HZOMDUNSUJOKQJ-UHFFFAOYSA-N 1 0 384.436 3.101 20 5 GGBDRO COC(=O)c1cnc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c([N+](=O)[O-])c1 ZINC000190170863 1432332809 /nfs/dbraw/zinc/33/28/09/1432332809.db2.gz OYEIVHPXVWEJLU-ZDUSSCGKSA-N 1 0 390.465 3.162 20 5 GGBDRO CN(C/C=C/c1ccccc1[N+](=O)[O-])C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190313534 1432358566 /nfs/dbraw/zinc/35/85/66/1432358566.db2.gz QDHKBKNNBUWCAB-NDEHPHGNSA-N 1 0 381.476 3.177 20 5 GGBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000190409692 1432375955 /nfs/dbraw/zinc/37/59/55/1432375955.db2.gz NPNNAWGAZNUSBQ-MRXNPFEDSA-N 1 0 375.425 3.318 20 5 GGBDRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000190422108 1432378722 /nfs/dbraw/zinc/37/87/22/1432378722.db2.gz SEQNZHBUYJONOL-LJQANCHMSA-N 1 0 384.436 3.007 20 5 GGBDRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)Nc1cccc([N+](=O)[O-])c1 ZINC000190421162 1432378886 /nfs/dbraw/zinc/37/88/86/1432378886.db2.gz OYVQSLVAJZRCAL-IBGZPJMESA-N 1 0 384.436 3.007 20 5 GGBDRO Cc1ccc(C[NH2+][C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1[N+](=O)[O-] ZINC000190481216 1432389671 /nfs/dbraw/zinc/38/96/71/1432389671.db2.gz OIJHOZZWCMMJFC-GOSISDBHSA-N 1 0 389.402 3.462 20 5 GGBDRO CCn1cc([C@H]2CN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCO2)cn1 ZINC000190819110 1432493508 /nfs/dbraw/zinc/49/35/08/1432493508.db2.gz CYRIGQMKHPTJDG-LJQANCHMSA-N 1 0 397.435 3.082 20 5 GGBDRO Cc1c(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cccc1[N+](=O)[O-] ZINC000190842491 1432503779 /nfs/dbraw/zinc/50/37/79/1432503779.db2.gz HYBQSPDRGPYZBL-GOSISDBHSA-N 1 0 398.463 3.316 20 5 GGBDRO CCO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1(CC)CC ZINC000191070397 1432561633 /nfs/dbraw/zinc/56/16/33/1432561633.db2.gz FLBBKWPSHBCESV-DLBZAZTESA-N 1 0 379.457 3.115 20 5 GGBDRO COCC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1cccnc1 ZINC000191126971 1432572820 /nfs/dbraw/zinc/57/28/20/1432572820.db2.gz GHAVPQVUWPTAHP-UHFFFAOYSA-N 1 0 382.420 3.336 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000191383531 1432646942 /nfs/dbraw/zinc/64/69/42/1432646942.db2.gz UNZIYTUYPNSDBD-IAGOWNOFSA-N 1 0 392.500 3.470 20 5 GGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000191384620 1432647618 /nfs/dbraw/zinc/64/76/18/1432647618.db2.gz JULCGAVKOGOMME-UHFFFAOYSA-N 1 0 378.473 3.223 20 5 GGBDRO CCCn1ccnc1CCC[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000191492100 1432671677 /nfs/dbraw/zinc/67/16/77/1432671677.db2.gz PUUWADLQRZMEKG-UHFFFAOYSA-N 1 0 384.440 3.316 20 5 GGBDRO COc1cc(C[NH2+]C[C@@](C)(Cc2ccccc2)[C@@H](C)O)c([N+](=O)[O-])cc1OC ZINC000191714869 1432712176 /nfs/dbraw/zinc/71/21/76/1432712176.db2.gz IOLOKLGHOUACHD-QVKFZJNVSA-N 1 0 388.464 3.331 20 5 GGBDRO COc1cc(C[N@@H+]2C[C@@H](C)[C@H](CO)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000191727987 1432713319 /nfs/dbraw/zinc/71/33/19/1432713319.db2.gz YLNCHUFAEZMQAH-QAPCUYQASA-N 1 0 386.448 3.243 20 5 GGBDRO C[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C ZINC000191738669 1432714783 /nfs/dbraw/zinc/71/47/83/1432714783.db2.gz YTWOZPNEPGPWCS-HNNXBMFYSA-N 1 0 393.447 3.014 20 5 GGBDRO O=C(C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000192024414 1432780878 /nfs/dbraw/zinc/78/08/78/1432780878.db2.gz YREHWXIKDJQNGB-YJBOKZPZSA-N 1 0 375.812 3.307 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 ZINC000192057928 1432789381 /nfs/dbraw/zinc/78/93/81/1432789381.db2.gz IHRZIXDNSCXELZ-NZSAHSFTSA-N 1 0 392.839 3.108 20 5 GGBDRO Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000192107480 1432799568 /nfs/dbraw/zinc/79/95/68/1432799568.db2.gz QRGBICVTUNTYPJ-QGZVFWFLSA-N 1 0 378.436 3.170 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192111462 1432799888 /nfs/dbraw/zinc/79/98/88/1432799888.db2.gz QKJQKPPZFNXCDP-IEBWSBKVSA-N 1 0 391.374 3.240 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192111474 1432799976 /nfs/dbraw/zinc/79/99/76/1432799976.db2.gz QKJQKPPZFNXCDP-MJGOQNOKSA-N 1 0 391.374 3.240 20 5 GGBDRO O=C(CC[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000192125780 1432802161 /nfs/dbraw/zinc/80/21/61/1432802161.db2.gz NAIZTOHMCAWDFO-HKUYNNGSSA-N 1 0 391.374 3.321 20 5 GGBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000192135208 1432804458 /nfs/dbraw/zinc/80/44/58/1432804458.db2.gz DYQBISTXIPZYDF-HOTGVXAUSA-N 1 0 395.525 3.143 20 5 GGBDRO O=C(CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000192140068 1432805575 /nfs/dbraw/zinc/80/55/75/1432805575.db2.gz KFOMFEHHXXHLEP-VQIMIIECSA-N 1 0 391.374 3.321 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192351098 1432835302 /nfs/dbraw/zinc/83/53/02/1432835302.db2.gz SYTUBRJKUYQIJM-BLLLJJGKSA-N 1 0 385.420 3.303 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192351112 1432835346 /nfs/dbraw/zinc/83/53/46/1432835346.db2.gz SYTUBRJKUYQIJM-WBMJQRKESA-N 1 0 385.420 3.303 20 5 GGBDRO COc1ccc(NC(=O)CC[NH2+][C@H]2CCCc3c(O)cccc32)c([N+](=O)[O-])c1 ZINC000192354381 1432835587 /nfs/dbraw/zinc/83/55/87/1432835587.db2.gz QTVCXSAZXHSQHJ-INIZCTEOSA-N 1 0 385.420 3.305 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192355225 1432835922 /nfs/dbraw/zinc/83/59/22/1432835922.db2.gz UKQONFVAQOGICW-NRFANRHFSA-N 1 0 399.491 3.374 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192355219 1432835938 /nfs/dbraw/zinc/83/59/38/1432835938.db2.gz UKQONFVAQOGICW-OAQYLSRUSA-N 1 0 399.491 3.374 20 5 GGBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H]2CCCc3c(O)cccc32)c([N+](=O)[O-])c1 ZINC000192360228 1432836760 /nfs/dbraw/zinc/83/67/60/1432836760.db2.gz UNAMLOYPTJMQHN-WBMJQRKESA-N 1 0 385.420 3.303 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192360459 1432836770 /nfs/dbraw/zinc/83/67/70/1432836770.db2.gz CUFSCNJFTOHDQS-INIZCTEOSA-N 1 0 385.420 3.305 20 5 GGBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2CCCc3c(O)cccc32)c([N+](=O)[O-])c1 ZINC000192365907 1432837728 /nfs/dbraw/zinc/83/77/28/1432837728.db2.gz DPOGVDXAWICURE-INIZCTEOSA-N 1 0 385.420 3.305 20 5 GGBDRO COc1cccc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000192466284 1432848274 /nfs/dbraw/zinc/84/82/74/1432848274.db2.gz BXILSGKDSKUXEM-GOSISDBHSA-N 1 0 383.448 3.479 20 5 GGBDRO C[N@H+]1C[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)C[C@H]2C1 ZINC000192469558 1432848499 /nfs/dbraw/zinc/84/84/99/1432848499.db2.gz CYNCGEZWBKWXKU-GASCZTMLSA-N 1 0 383.473 3.380 20 5 GGBDRO COc1cccc(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1[N+](=O)[O-] ZINC000192471545 1432848633 /nfs/dbraw/zinc/84/86/33/1432848633.db2.gz GOIVUEULNRYRLI-MRXNPFEDSA-N 1 0 375.469 3.188 20 5 GGBDRO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000192490227 1432850378 /nfs/dbraw/zinc/85/03/78/1432850378.db2.gz UNGXYZMXENWVRW-GASCZTMLSA-N 1 0 387.484 3.341 20 5 GGBDRO Cc1ccc(NC(=O)c2c(C)cccc2[N+](=O)[O-])cc1NC(=O)CC[NH+](C)C ZINC000192491566 1432850544 /nfs/dbraw/zinc/85/05/44/1432850544.db2.gz FGVZSFRZZDTISW-UHFFFAOYSA-N 1 0 384.436 3.354 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC000192517180 1432853742 /nfs/dbraw/zinc/85/37/42/1432853742.db2.gz ZJBPYZMLHIZVMT-GASCZTMLSA-N 1 0 397.431 3.029 20 5 GGBDRO Cc1cccc(N2CC[NH+](CCCNC(=O)c3c(C)cccc3[N+](=O)[O-])CC2)c1 ZINC000192538450 1432856736 /nfs/dbraw/zinc/85/67/36/1432856736.db2.gz PJPFUHCUCMAQBW-UHFFFAOYSA-N 1 0 396.491 3.154 20 5 GGBDRO COc1cccc(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000192573834 1432861766 /nfs/dbraw/zinc/86/17/66/1432861766.db2.gz QRNFIODLLPCYPX-HOTGVXAUSA-N 1 0 375.469 3.330 20 5 GGBDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192725491 1432880396 /nfs/dbraw/zinc/88/03/96/1432880396.db2.gz SYRKSIFHBJUEMR-ORAYPTAESA-N 1 0 389.477 3.231 20 5 GGBDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192725533 1432880449 /nfs/dbraw/zinc/88/04/49/1432880449.db2.gz SYRKSIFHBJUEMR-YJYMSZOUSA-N 1 0 389.477 3.231 20 5 GGBDRO Cc1c(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000192896735 1432904353 /nfs/dbraw/zinc/90/43/53/1432904353.db2.gz VXJHNTQASGVIQG-UHFFFAOYSA-N 1 0 398.419 3.337 20 5 GGBDRO COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[NH+](C)C)cc1OC ZINC000192905859 1432905518 /nfs/dbraw/zinc/90/55/18/1432905518.db2.gz AHTLZNSQJULUHY-MRXNPFEDSA-N 1 0 390.396 3.235 20 5 GGBDRO COc1ccc([C@@H](CNC(=O)c2c(C)cccc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000192907533 1432905864 /nfs/dbraw/zinc/90/58/64/1432905864.db2.gz JLBAWCFSBNDATN-LJQANCHMSA-N 1 0 383.448 3.479 20 5 GGBDRO COc1cccc([C@@H](CNC(=O)c2c(C)cccc2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000192917243 1432907287 /nfs/dbraw/zinc/90/72/87/1432907287.db2.gz HKMUODJLVGZOEC-LJQANCHMSA-N 1 0 383.448 3.479 20 5 GGBDRO O=C(NC1CC1)c1ccc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000192955466 1432912810 /nfs/dbraw/zinc/91/28/10/1432912810.db2.gz XAGZGGPIMXEAMB-QGZVFWFLSA-N 1 0 394.475 3.421 20 5 GGBDRO O=C1CCc2cc([N+](=O)[O-])c(NC[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2N1 ZINC000192960202 1432913448 /nfs/dbraw/zinc/91/34/48/1432913448.db2.gz QTVYGPBVJNKAOR-MRXNPFEDSA-N 1 0 380.448 3.414 20 5 GGBDRO COc1ccc([C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C2CC2)cc1 ZINC000193344805 1432983224 /nfs/dbraw/zinc/98/32/24/1432983224.db2.gz DSLHQQQGYIBYGD-HXUWFJFHSA-N 1 0 385.420 3.291 20 5 GGBDRO CCC[C@H]([NH2+]CC1(N2CCOCC2)CC(OCC)C1)c1cccc([N+](=O)[O-])c1 ZINC000193401383 1432991879 /nfs/dbraw/zinc/99/18/79/1432991879.db2.gz OAFIJAIBIXUKHJ-KBWCOIMZSA-N 1 0 391.512 3.296 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000193492312 1433008192 /nfs/dbraw/zinc/00/81/92/1433008192.db2.gz VHNPJOSYHDPCNP-FZKQIMNGSA-N 1 0 385.420 3.266 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000193492338 1433008383 /nfs/dbraw/zinc/00/83/83/1433008383.db2.gz VHNPJOSYHDPCNP-ACJLOTCBSA-N 1 0 385.420 3.266 20 5 GGBDRO C[C@H]([NH2+]C1(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CCCC1)c1ccccc1 ZINC000193569906 1433021350 /nfs/dbraw/zinc/02/13/50/1433021350.db2.gz VKURCLDCNUALCO-AWEZNQCLSA-N 1 0 384.436 3.089 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N[C@H]3CCC[NH2+][C@@H]3C)cc2[N+](=O)[O-])n1 ZINC000193586609 1433024124 /nfs/dbraw/zinc/02/41/24/1433024124.db2.gz GHQZHJQGOLZQRM-YPMHNXCESA-N 1 0 392.506 3.381 20 5 GGBDRO COc1cccc([C@@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[NH+](C)C)c1 ZINC000193599118 1433026539 /nfs/dbraw/zinc/02/65/39/1433026539.db2.gz NIXRUWJIHQYLQQ-LJQANCHMSA-N 1 0 384.436 3.203 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193625038 1433030668 /nfs/dbraw/zinc/03/06/68/1433030668.db2.gz BSMZAIFQOFWCMD-INIZCTEOSA-N 1 0 384.436 3.247 20 5 GGBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193784928 1433059042 /nfs/dbraw/zinc/05/90/42/1433059042.db2.gz OPFWTTQQIGBSIL-GOSISDBHSA-N 1 0 383.448 3.002 20 5 GGBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000193791549 1433060422 /nfs/dbraw/zinc/06/04/22/1433060422.db2.gz FDZSXGQJDLKBHD-QGZVFWFLSA-N 1 0 394.475 3.421 20 5 GGBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193803705 1433063114 /nfs/dbraw/zinc/06/31/14/1433063114.db2.gz DHOZBCQELKPUQI-KRWDZBQOSA-N 1 0 392.459 3.257 20 5 GGBDRO CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC[NH+](CCc2ccccn2)CC1 ZINC000193814963 1433065663 /nfs/dbraw/zinc/06/56/63/1433065663.db2.gz ATPHSUKZTBFUDG-UHFFFAOYSA-N 1 0 399.451 3.037 20 5 GGBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000193823053 1433067317 /nfs/dbraw/zinc/06/73/17/1433067317.db2.gz LBSDCBJLKGMBPF-UHFFFAOYSA-N 1 0 386.452 3.036 20 5 GGBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000193839276 1433070672 /nfs/dbraw/zinc/07/06/72/1433070672.db2.gz JIANJNNIZDNAHZ-QGZVFWFLSA-N 1 0 390.443 3.395 20 5 GGBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000193929771 1433086971 /nfs/dbraw/zinc/08/69/71/1433086971.db2.gz HONHYAKUJCWSDI-KRWDZBQOSA-N 1 0 383.448 3.388 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000193947158 1433090500 /nfs/dbraw/zinc/09/05/00/1433090500.db2.gz SEBWLFZXDGTJGT-OAHLLOKOSA-N 1 0 378.473 3.057 20 5 GGBDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1O2 ZINC000193953389 1433091553 /nfs/dbraw/zinc/09/15/53/1433091553.db2.gz OSVOFUCZPPOGEJ-SFHVURJKSA-N 1 0 381.432 3.313 20 5 GGBDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1O2 ZINC000193956609 1433092068 /nfs/dbraw/zinc/09/20/68/1433092068.db2.gz VMNALMGKNKPGNK-GOSISDBHSA-N 1 0 395.459 3.242 20 5 GGBDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1O2 ZINC000193974852 1433094644 /nfs/dbraw/zinc/09/46/44/1433094644.db2.gz IESHIDZHXWJRPO-KRWDZBQOSA-N 1 0 381.432 3.313 20 5 GGBDRO COc1cccc(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000193979683 1433095539 /nfs/dbraw/zinc/09/55/39/1433095539.db2.gz RHGAQPBDUUHCIU-UHFFFAOYSA-N 1 0 383.448 3.170 20 5 GGBDRO C[C@@H](NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000194058905 1433109585 /nfs/dbraw/zinc/10/95/85/1433109585.db2.gz OMLQTQFUCSGZOO-AEFFLSMTSA-N 1 0 382.464 3.477 20 5 GGBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000194235102 1433145413 /nfs/dbraw/zinc/14/54/13/1433145413.db2.gz OFXPMUCAHHEAAF-IBGZPJMESA-N 1 0 382.464 3.401 20 5 GGBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000194235084 1433145542 /nfs/dbraw/zinc/14/55/42/1433145542.db2.gz OFXPMUCAHHEAAF-LJQANCHMSA-N 1 0 382.464 3.401 20 5 GGBDRO COc1cccc([C@H](CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000194276979 1433154089 /nfs/dbraw/zinc/15/40/89/1433154089.db2.gz YLRMGLUCEDNJOJ-KUHUBIRLSA-N 1 0 386.452 3.267 20 5 GGBDRO COc1cccc([C@@H](CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000194276990 1433154108 /nfs/dbraw/zinc/15/41/08/1433154108.db2.gz YLRMGLUCEDNJOJ-IFXJQAMLSA-N 1 0 386.452 3.267 20 5 GGBDRO COc1cccc(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)c1[N+](=O)[O-] ZINC000194325367 1433161741 /nfs/dbraw/zinc/16/17/41/1433161741.db2.gz NAMLGQRIENMOJL-MRXNPFEDSA-N 1 0 375.469 3.378 20 5 GGBDRO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000194336923 1433163619 /nfs/dbraw/zinc/16/36/19/1433163619.db2.gz YEJKQFZUSBYWDI-UHFFFAOYSA-N 1 0 395.456 3.054 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(OCCC(C)C)CC1 ZINC000194339773 1433163832 /nfs/dbraw/zinc/16/38/32/1433163832.db2.gz WSJQTNBLWZBFCB-UHFFFAOYSA-N 1 0 393.484 3.459 20 5 GGBDRO COc1cccc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000194354277 1433165901 /nfs/dbraw/zinc/16/59/01/1433165901.db2.gz RYVKYYXSMFGWCW-UHFFFAOYSA-N 1 0 393.390 3.086 20 5 GGBDRO COc1cccc(C(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000194354145 1433165978 /nfs/dbraw/zinc/16/59/78/1433165978.db2.gz XDFAPEXPNGBXTB-UHFFFAOYSA-N 1 0 391.855 3.461 20 5 GGBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194415874 1433174699 /nfs/dbraw/zinc/17/46/99/1433174699.db2.gz FECFIIBDRPQXIU-GOSISDBHSA-N 1 0 382.464 3.258 20 5 GGBDRO O=C(NCc1ccccc1[N+](=O)[O-])NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000194417353 1433174810 /nfs/dbraw/zinc/17/48/10/1433174810.db2.gz DYGHNGPHUXVVQS-UHFFFAOYSA-N 1 0 386.427 3.198 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N(C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000194428823 1433176626 /nfs/dbraw/zinc/17/66/26/1433176626.db2.gz HXTIOBNJGSIBAS-HNNXBMFYSA-N 1 0 397.479 3.329 20 5 GGBDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1OC)c1ccco1 ZINC000194480638 1433185166 /nfs/dbraw/zinc/18/51/66/1433185166.db2.gz DIRJGZROQIYRTN-INIZCTEOSA-N 1 0 390.440 3.079 20 5 GGBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NCc1cccc(C[NH+]2CCCC2)c1 ZINC000194516039 1433191154 /nfs/dbraw/zinc/19/11/54/1433191154.db2.gz ATVIPIXOKROZRK-UHFFFAOYSA-N 1 0 383.448 3.276 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000194530756 1433193205 /nfs/dbraw/zinc/19/32/05/1433193205.db2.gz APYANNAUMWKNCO-LJQANCHMSA-N 1 0 397.475 3.310 20 5 GGBDRO COc1cccc(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000194543375 1433195189 /nfs/dbraw/zinc/19/51/89/1433195189.db2.gz LQVUYBFLSNWPSX-QGZVFWFLSA-N 1 0 383.448 3.340 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000194576784 1433200562 /nfs/dbraw/zinc/20/05/62/1433200562.db2.gz JLKGVUUHKBFJSR-UHFFFAOYSA-N 1 0 390.484 3.057 20 5 GGBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000194588665 1433202105 /nfs/dbraw/zinc/20/21/05/1433202105.db2.gz AAEOTKRDCVHOAY-QGZVFWFLSA-N 1 0 383.448 3.245 20 5 GGBDRO COc1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000194614646 1433205470 /nfs/dbraw/zinc/20/54/70/1433205470.db2.gz FZSSTOZQZNWWRB-DOTOQJQBSA-N 1 0 383.448 3.386 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@H]2CCC[N@@H+]2C)cc1 ZINC000194701286 1433217403 /nfs/dbraw/zinc/21/74/03/1433217403.db2.gz FWBIHNNDWKACPJ-OAHLLOKOSA-N 1 0 385.420 3.220 20 5 GGBDRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000194757119 1433225519 /nfs/dbraw/zinc/22/55/19/1433225519.db2.gz NIQFFAHRMCKZGF-UHFFFAOYSA-N 1 0 397.522 3.189 20 5 GGBDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000194873121 1433253841 /nfs/dbraw/zinc/25/38/41/1433253841.db2.gz WUPGFMHHINRWFA-HXUWFJFHSA-N 1 0 391.468 3.143 20 5 GGBDRO COCC[NH+]1CCC(Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000194957632 1433272359 /nfs/dbraw/zinc/27/23/59/1433272359.db2.gz GKCWKPZCIOEWCY-UHFFFAOYSA-N 1 0 392.334 3.045 20 5 GGBDRO CCc1cc(NC2CC[NH+](CCOC)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000194957414 1433272390 /nfs/dbraw/zinc/27/23/90/1433272390.db2.gz SMSWQACYIILCCG-UHFFFAOYSA-N 1 0 385.468 3.137 20 5 GGBDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000195179510 1433303674 /nfs/dbraw/zinc/30/36/74/1433303674.db2.gz VGYFBRLTYISAAY-UHFFFAOYSA-N 1 0 396.451 3.121 20 5 GGBDRO COCC[N@H+](C)CCCC1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000195269177 1433313841 /nfs/dbraw/zinc/31/38/41/1433313841.db2.gz OLILGAOHNBJBQY-UHFFFAOYSA-N 1 0 376.501 3.138 20 5 GGBDRO Cc1c(C(=O)NCc2ccccc2C[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000195333903 1433320007 /nfs/dbraw/zinc/32/00/07/1433320007.db2.gz HPLLHRKVGYPHAL-UHFFFAOYSA-N 1 0 386.408 3.111 20 5 GGBDRO COc1cccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000195336685 1433320245 /nfs/dbraw/zinc/32/02/45/1433320245.db2.gz CDTIXTZCUFOHDR-CQSZACIVSA-N 1 0 375.450 3.232 20 5 GGBDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000195350918 1433321722 /nfs/dbraw/zinc/32/17/22/1433321722.db2.gz DWKCMBZAKSCPPH-UHFFFAOYSA-N 1 0 396.491 3.397 20 5 GGBDRO CN(C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000195352095 1433321876 /nfs/dbraw/zinc/32/18/76/1433321876.db2.gz BTTGTJHYOCBUPG-UHFFFAOYSA-N 1 0 383.448 3.340 20 5 GGBDRO COc1cccc(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000195446063 1433330642 /nfs/dbraw/zinc/33/06/42/1433330642.db2.gz DFUXZNLGEBQPKS-UHFFFAOYSA-N 1 0 375.469 3.332 20 5 GGBDRO Cc1cc(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)ccc1[N+](=O)[O-] ZINC000195663557 1433343845 /nfs/dbraw/zinc/34/38/45/1433343845.db2.gz HMMSUQJPWYENGW-UHFFFAOYSA-N 1 0 378.498 3.386 20 5 GGBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000229811254 1433371932 /nfs/dbraw/zinc/37/19/32/1433371932.db2.gz YIZJMPCTKLITLQ-YHYXMXQVSA-N 1 0 380.448 3.307 20 5 GGBDRO CC1CCN(c2ccc(C(=O)NC[C@@H]([NH3+])c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000236670421 1433375675 /nfs/dbraw/zinc/37/56/75/1433375675.db2.gz GORHDTIGESTHMD-GOSISDBHSA-N 1 0 382.464 3.261 20 5 GGBDRO CCC[NH2+]CCNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000236845849 1433381011 /nfs/dbraw/zinc/38/10/11/1433381011.db2.gz YTFFACFKKXCDKR-UHFFFAOYSA-N 1 0 380.495 3.240 20 5 GGBDRO CCNC(=O)c1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000236978016 1433384565 /nfs/dbraw/zinc/38/45/65/1433384565.db2.gz QHJUIHWTCWSKRS-UHFFFAOYSA-N 1 0 393.447 3.035 20 5 GGBDRO CC[NH2+]CCNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000236994380 1433385067 /nfs/dbraw/zinc/38/50/67/1433385067.db2.gz KZFVLIKPWXZZPC-UHFFFAOYSA-N 1 0 393.827 3.388 20 5 GGBDRO CC[NH2+]CCNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000236992716 1433385134 /nfs/dbraw/zinc/38/51/34/1433385134.db2.gz CEWNGSLWGFVFRU-UHFFFAOYSA-N 1 0 376.844 3.200 20 5 GGBDRO CN(C)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000237022971 1433386001 /nfs/dbraw/zinc/38/60/01/1433386001.db2.gz CXBRGIXZEPTZJI-QGZVFWFLSA-N 1 0 385.493 3.449 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[NH2+]C2CCCCCC2)cc1OC ZINC000237050396 1433387021 /nfs/dbraw/zinc/38/70/21/1433387021.db2.gz XTSXMIYUWQSJHC-UHFFFAOYSA-N 1 0 379.457 3.044 20 5 GGBDRO C[NH2+]CC1CCN(C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000237082025 1433388513 /nfs/dbraw/zinc/38/85/13/1433388513.db2.gz VNPHKQINCWZTJR-HOTGVXAUSA-N 1 0 388.512 3.149 20 5 GGBDRO COc1cc(C(=O)NC[C@H](C)C[NH3+])ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000237088886 1433388667 /nfs/dbraw/zinc/38/86/67/1433388667.db2.gz UMKHBEYVMCZRMW-LLVKDONJSA-N 1 0 393.827 3.374 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N(C)C3CC[NH2+]CC3)cc2[N+](=O)[O-])n1 ZINC000237109242 1433389557 /nfs/dbraw/zinc/38/95/57/1433389557.db2.gz HUHTZQAAWREJTG-UHFFFAOYSA-N 1 0 392.506 3.335 20 5 GGBDRO CN(C)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000237167588 1433391131 /nfs/dbraw/zinc/39/11/31/1433391131.db2.gz LBIUTFAXBUCXGZ-OAQYLSRUSA-N 1 0 393.491 3.258 20 5 GGBDRO CN(C)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000237167720 1433391450 /nfs/dbraw/zinc/39/14/50/1433391450.db2.gz NVYHCPCTDPNQGH-FQEVSTJZSA-N 1 0 379.464 3.388 20 5 GGBDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237202560 1433392277 /nfs/dbraw/zinc/39/22/77/1433392277.db2.gz WRUJAIPYPLSHJI-LJQANCHMSA-N 1 0 385.464 3.366 20 5 GGBDRO COc1cc(C[NH2+]C[C@@H]2CCCCO2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237238764 1433393620 /nfs/dbraw/zinc/39/36/20/1433393620.db2.gz INDSNMQSFKZUBV-LBPRGKRZSA-N 1 0 378.347 3.203 20 5 GGBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)C1 ZINC000237246891 1433394165 /nfs/dbraw/zinc/39/41/65/1433394165.db2.gz XUAODKGSVIYWHH-HNNXBMFYSA-N 1 0 399.447 3.467 20 5 GGBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000237256100 1433394419 /nfs/dbraw/zinc/39/44/19/1433394419.db2.gz JZRWYNWLBCVDQJ-KRWDZBQOSA-N 1 0 382.464 3.279 20 5 GGBDRO C[NH2+]CCN(C)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000237353093 1433398698 /nfs/dbraw/zinc/39/86/98/1433398698.db2.gz IJNVCILJBUHGDQ-UHFFFAOYSA-N 1 0 376.844 3.152 20 5 GGBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000237364753 1433399350 /nfs/dbraw/zinc/39/93/50/1433399350.db2.gz VWZHYYZZLYHMSO-HPFXQQBRSA-N 1 0 388.512 3.277 20 5 GGBDRO CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000237382766 1433399810 /nfs/dbraw/zinc/39/98/10/1433399810.db2.gz NWKXFYOYCYEUPU-INIZCTEOSA-N 1 0 399.472 3.015 20 5 GGBDRO CSc1ccc(C(=O)c2ccccc2C(=O)N2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000237382201 1433399923 /nfs/dbraw/zinc/39/99/23/1433399923.db2.gz ODUIYEYNUCUQHJ-UHFFFAOYSA-N 1 0 399.472 3.111 20 5 GGBDRO C[C@@H]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000237437069 1433403389 /nfs/dbraw/zinc/40/33/89/1433403389.db2.gz ABJMARWMVOPVGP-FOIQADDNSA-N 1 0 382.464 3.406 20 5 GGBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CC(=O)N(C(C)(C)C)C3)o2)c([N+](=O)[O-])c1 ZINC000237439195 1433403390 /nfs/dbraw/zinc/40/33/90/1433403390.db2.gz GWAQULKCGGQTLC-ZDUSSCGKSA-N 1 0 387.436 3.352 20 5 GGBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000237445610 1433403733 /nfs/dbraw/zinc/40/37/33/1433403733.db2.gz WWXBTSLJIAPILI-DFGXFYAUSA-N 1 0 388.512 3.419 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC2CCC([NH3+])CC2)cc1 ZINC000237455509 1433404012 /nfs/dbraw/zinc/40/40/12/1433404012.db2.gz QTHMVEMXFDQXRN-UHFFFAOYSA-N 1 0 385.420 3.395 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000237455962 1433404030 /nfs/dbraw/zinc/40/40/30/1433404030.db2.gz OCYSISJUSWYVBA-AWEZNQCLSA-N 1 0 385.420 3.125 20 5 GGBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000237477385 1433405356 /nfs/dbraw/zinc/40/53/56/1433405356.db2.gz OEKUOENCZSIDNF-GFCCVEGCSA-N 1 0 381.860 3.006 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N3CC[C@H]([NH3+])C[C@H]3C)cc2[N+](=O)[O-])n1 ZINC000237494577 1433406291 /nfs/dbraw/zinc/40/62/91/1433406291.db2.gz LRWNENGZNQXFRV-YPMHNXCESA-N 1 0 392.506 3.463 20 5 GGBDRO C[C@H]1CN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000237558229 1433409470 /nfs/dbraw/zinc/40/94/70/1433409470.db2.gz RXIFEXRJEGMGSE-ZDUSSCGKSA-N 1 0 388.855 3.294 20 5 GGBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000237627027 1433413138 /nfs/dbraw/zinc/41/31/38/1433413138.db2.gz AKFJCDLMENVZRJ-VHSXEESVSA-N 1 0 398.250 3.039 20 5 GGBDRO Cc1nn(Cc2ccc(C(=O)N[C@H](C[NH3+])C3CCCCC3)cc2)c(C)c1[N+](=O)[O-] ZINC000237640060 1433414289 /nfs/dbraw/zinc/41/42/89/1433414289.db2.gz HEPPYCZPNJZKRU-LJQANCHMSA-N 1 0 399.495 3.094 20 5 GGBDRO C[C@H]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000237646880 1433414506 /nfs/dbraw/zinc/41/45/06/1433414506.db2.gz ABJMARWMVOPVGP-YWZLYKJASA-N 1 0 382.464 3.406 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000237645437 1433414582 /nfs/dbraw/zinc/41/45/82/1433414582.db2.gz QSKBJSJMGFJTLS-LJQANCHMSA-N 1 0 375.856 3.411 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000237648025 1433414880 /nfs/dbraw/zinc/41/48/80/1433414880.db2.gz OMYJNDNUTSFKNE-AVYPCKFXSA-N 1 0 397.479 3.362 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000237651344 1433414899 /nfs/dbraw/zinc/41/48/99/1433414899.db2.gz QSKBJSJMGFJTLS-IBGZPJMESA-N 1 0 375.856 3.411 20 5 GGBDRO Cn1cc(C[NH2+]CCN2CCc3ccccc3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237759614 1433421705 /nfs/dbraw/zinc/42/17/05/1433421705.db2.gz MNGCYHJNKSZAER-UHFFFAOYSA-N 1 0 391.475 3.143 20 5 GGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)cc1 ZINC000237784956 1433423789 /nfs/dbraw/zinc/42/37/89/1433423789.db2.gz UDMBKQORISDCOS-LJQANCHMSA-N 1 0 375.856 3.411 20 5 GGBDRO Cc1c(C(=O)Nc2cccc(C(=O)OC3CC[NH2+]CC3)c2)cccc1[N+](=O)[O-] ZINC000237792202 1433424195 /nfs/dbraw/zinc/42/41/95/1433424195.db2.gz BZAIDRCPPHALCV-UHFFFAOYSA-N 1 0 383.404 3.064 20 5 GGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)cs1 ZINC000237794739 1433424700 /nfs/dbraw/zinc/42/47/00/1433424700.db2.gz WILAHNHRGHMKDG-INIZCTEOSA-N 1 0 381.885 3.473 20 5 GGBDRO [NH3+]CCCOC1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000237850463 1433428763 /nfs/dbraw/zinc/42/87/63/1433428763.db2.gz FMRCFCQLDRTHPG-UHFFFAOYSA-N 1 0 398.463 3.308 20 5 GGBDRO [NH3+]C1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000237847993 1433428866 /nfs/dbraw/zinc/42/88/66/1433428866.db2.gz UREJYJPOHQMORB-UHFFFAOYSA-N 1 0 388.855 3.424 20 5 GGBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000237870996 1433430333 /nfs/dbraw/zinc/43/03/33/1433430333.db2.gz CYOJGWJIUREPBZ-AAEUAGOBSA-N 1 0 388.390 3.049 20 5 GGBDRO Cn1cc(C(=O)NCC[NH2+]C2CCCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237885099 1433431484 /nfs/dbraw/zinc/43/14/84/1433431484.db2.gz DXFRSGYZWZQTFK-UHFFFAOYSA-N 1 0 385.468 3.038 20 5 GGBDRO O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCC[NH2+]CC1 ZINC000237883871 1433431557 /nfs/dbraw/zinc/43/15/57/1433431557.db2.gz GFPDSTQVPDUVKY-UHFFFAOYSA-N 1 0 388.855 3.296 20 5 GGBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000238021554 1433439628 /nfs/dbraw/zinc/43/96/28/1433439628.db2.gz FBBTXQKLCGFYJG-UHFFFAOYSA-N 1 0 381.476 3.355 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](O)COCC3CC3)o2)c(Cl)c1 ZINC000238065366 1433441754 /nfs/dbraw/zinc/44/17/54/1433441754.db2.gz AIGNAUHLIIQJOL-AWEZNQCLSA-N 1 0 380.828 3.385 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(CNCCC[NH+]3CCC(O)CC3)o2)c(Cl)c1 ZINC000238151160 1433444231 /nfs/dbraw/zinc/44/42/31/1433444231.db2.gz JIRNEBLZKMDZSM-UHFFFAOYSA-N 1 0 393.871 3.445 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000245408651 1433462065 /nfs/dbraw/zinc/46/20/65/1433462065.db2.gz IGYHWESQLJNFKJ-QAPCUYQASA-N 1 0 377.485 3.024 20 5 GGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245434040 1433466953 /nfs/dbraw/zinc/46/69/53/1433466953.db2.gz CCYQHYDJSGODRP-IEBWSBKVSA-N 1 0 396.491 3.376 20 5 GGBDRO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245446560 1433469697 /nfs/dbraw/zinc/46/96/97/1433469697.db2.gz LHFXHUVYEAAYIN-GVDBMIGSSA-N 1 0 397.479 3.050 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1C[C@@H](O)CN1Cc1ccccc1)C1CC1 ZINC000245570621 1433486827 /nfs/dbraw/zinc/48/68/27/1433486827.db2.gz BINPGLYEPCPJJZ-BDTNDASRSA-N 1 0 395.503 3.141 20 5 GGBDRO O=[N+]([O-])c1c(NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)ccc2ncccc21 ZINC000245614315 1433491244 /nfs/dbraw/zinc/49/12/44/1433491244.db2.gz LCKDWNMRKFXVBZ-IRXDYDNUSA-N 1 0 378.432 3.190 20 5 GGBDRO O=[N+]([O-])c1c(NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)ccc2ncccc21 ZINC000245614311 1433491293 /nfs/dbraw/zinc/49/12/93/1433491293.db2.gz LCKDWNMRKFXVBZ-DLBZAZTESA-N 1 0 378.432 3.190 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000245675552 1433498205 /nfs/dbraw/zinc/49/82/05/1433498205.db2.gz KZJBLFUBCFGUFJ-CABCVRRESA-N 1 0 395.525 3.184 20 5 GGBDRO COc1cc2c(c(C[N@@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)c1)O[C@H](C)C2 ZINC000245716254 1433505145 /nfs/dbraw/zinc/50/51/45/1433505145.db2.gz HAFDWKMUZVHWTE-CZUORRHYSA-N 1 0 384.436 3.008 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)C1 ZINC000245789732 1433518049 /nfs/dbraw/zinc/51/80/49/1433518049.db2.gz NNLXLLIZVPZHKV-XJKSGUPXSA-N 1 0 383.876 3.115 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCCO[C@@H]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000245836769 1433524217 /nfs/dbraw/zinc/52/42/17/1433524217.db2.gz BJTBIOTWXUXLBJ-JTDSTZFVSA-N 1 0 377.485 3.265 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1SC ZINC000245839832 1433524739 /nfs/dbraw/zinc/52/47/39/1433524739.db2.gz FONAXLPLFHIGEZ-CHWSQXEVSA-N 1 0 381.498 3.176 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2noc(CN(C[C@@H]3CCCO3)[C@H]3CCSC3)n2)cc1 ZINC000245878404 1433532342 /nfs/dbraw/zinc/53/23/42/1433532342.db2.gz MZEAATCVDRRUFV-HOTGVXAUSA-N 1 0 390.465 3.131 20 5 GGBDRO CC[N@H+](C[C@@H](O)c1ccc(C)cc1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000245897670 1433536958 /nfs/dbraw/zinc/53/69/58/1433536958.db2.gz STILKUFTWCYCDI-VQTJNVASSA-N 1 0 383.448 3.064 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246169696 1433577306 /nfs/dbraw/zinc/57/73/06/1433577306.db2.gz PNWWVMXGZWAPDB-SUMWQHHRSA-N 1 0 383.876 3.115 20 5 GGBDRO CCC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000246196093 1433580989 /nfs/dbraw/zinc/58/09/89/1433580989.db2.gz AGVMDQSROITWCQ-ROUUACIJSA-N 1 0 393.484 3.350 20 5 GGBDRO CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000246233958 1433584870 /nfs/dbraw/zinc/58/48/70/1433584870.db2.gz GPDVMTYSOIDKTL-ZWKOTPCHSA-N 1 0 389.839 3.019 20 5 GGBDRO CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000246233944 1433584897 /nfs/dbraw/zinc/58/48/97/1433584897.db2.gz GPDVMTYSOIDKTL-ROUUACIJSA-N 1 0 389.839 3.019 20 5 GGBDRO O=C(CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000246280688 1433589299 /nfs/dbraw/zinc/58/92/99/1433589299.db2.gz AWVYBDOIXFTDCX-SUMWQHHRSA-N 1 0 392.887 3.135 20 5 GGBDRO C[C@]1(O)CCN([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 ZINC000246289581 1433590036 /nfs/dbraw/zinc/59/00/36/1433590036.db2.gz AHEDBZVMZZSNBH-MJGOQNOKSA-N 1 0 389.839 3.385 20 5 GGBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246295215 1433591196 /nfs/dbraw/zinc/59/11/96/1433591196.db2.gz BIRLVSFXLZDNNV-XHSDSOJGSA-N 1 0 395.525 3.081 20 5 GGBDRO COc1cc(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)ccc1[N+](=O)[O-] ZINC000246314358 1433593585 /nfs/dbraw/zinc/59/35/85/1433593585.db2.gz GJWUNCHZJNMSOU-HZPDHXFCSA-N 1 0 375.469 3.330 20 5 GGBDRO CC(C)C[N@H+](C[C@@H](O)c1ccc(F)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246319369 1433594350 /nfs/dbraw/zinc/59/43/50/1433594350.db2.gz RORDAPUXALHXHD-WOJBJXKFSA-N 1 0 376.428 3.459 20 5 GGBDRO O=C(CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000246528561 1433625574 /nfs/dbraw/zinc/62/55/74/1433625574.db2.gz JGDXOQZCMAIYJL-UGSOOPFHSA-N 1 0 392.887 3.135 20 5 GGBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cccc1[N+](=O)[O-] ZINC000246558924 1433630792 /nfs/dbraw/zinc/63/07/92/1433630792.db2.gz KNUYYPKJIWWJFM-MAUKXSAKSA-N 1 0 387.436 3.413 20 5 GGBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000246652346 1433645484 /nfs/dbraw/zinc/64/54/84/1433645484.db2.gz CQUKVGADSZPCBJ-YPGOJHLTSA-N 1 0 381.476 3.410 20 5 GGBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000246664623 1433647023 /nfs/dbraw/zinc/64/70/23/1433647023.db2.gz CZZMLVOSOZNVSH-YPGOJHLTSA-N 1 0 397.475 3.246 20 5 GGBDRO C[C@@H](NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000246689124 1433650423 /nfs/dbraw/zinc/65/04/23/1433650423.db2.gz IKJKSOUJSXUMON-KFWWJZLASA-N 1 0 399.447 3.283 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000246785063 1433665924 /nfs/dbraw/zinc/66/59/24/1433665924.db2.gz OTJZYCGCIAYOSV-RDJZCZTQSA-N 1 0 383.448 3.495 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246796864 1433668503 /nfs/dbraw/zinc/66/85/03/1433668503.db2.gz MPSZZWWAEFVIDN-JXFKEZNVSA-N 1 0 386.496 3.181 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000246831855 1433675868 /nfs/dbraw/zinc/67/58/68/1433675868.db2.gz RQVUACLGEZDQHW-FUHWJXTLSA-N 1 0 391.512 3.387 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000246831878 1433676019 /nfs/dbraw/zinc/67/60/19/1433676019.db2.gz RQVUACLGEZDQHW-WMZOPIPTSA-N 1 0 391.512 3.387 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246843835 1433677423 /nfs/dbraw/zinc/67/74/23/1433677423.db2.gz OTWWRNBFUXHJMY-OXJNMPFZSA-N 1 0 386.496 3.181 20 5 GGBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000246890105 1433683155 /nfs/dbraw/zinc/68/31/55/1433683155.db2.gz IWBARZBKPNJDBM-ZOBUZTSGSA-N 1 0 397.479 3.362 20 5 GGBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000247204629 1433690505 /nfs/dbraw/zinc/69/05/05/1433690505.db2.gz CDSULLUPYGZRSG-MSOLQXFVSA-N 1 0 378.860 3.423 20 5 GGBDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000247504802 1433730663 /nfs/dbraw/zinc/73/06/63/1433730663.db2.gz MAIPCPNCXFTMMN-TZIWHRDSSA-N 1 0 385.464 3.238 20 5 GGBDRO CC1CCN(c2ccc(C(=O)N(C)[C@H]3CC[N@H+](C)C[C@H]3C)cc2[N+](=O)[O-])CC1 ZINC000247521856 1433733116 /nfs/dbraw/zinc/73/31/16/1433733116.db2.gz WMGHLOLXYUEGFR-AEFFLSMTSA-N 1 0 388.512 3.243 20 5 GGBDRO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000247687867 1433746421 /nfs/dbraw/zinc/74/64/21/1433746421.db2.gz VIJGAICWTCSZFW-MLGOLLRUSA-N 1 0 386.374 3.254 20 5 GGBDRO Nc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000247966345 1433759853 /nfs/dbraw/zinc/75/98/53/1433759853.db2.gz GVUINDNAZXSLTE-UYAOXDASSA-N 1 0 394.475 3.304 20 5 GGBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@H]21 ZINC000247993918 1433761899 /nfs/dbraw/zinc/76/18/99/1433761899.db2.gz JSWNKIMHCFMCDW-BXUZGUMPSA-N 1 0 384.383 3.144 20 5 GGBDRO CC(C)NC(=O)c1ccc(NC[C@@H](Cc2ccccc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000248034861 1433765215 /nfs/dbraw/zinc/76/52/15/1433765215.db2.gz YTIYMUTWAGKHSX-GOSISDBHSA-N 1 0 384.480 3.318 20 5 GGBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000248047982 1433766068 /nfs/dbraw/zinc/76/60/68/1433766068.db2.gz MTDVUZNOXRIOIL-UHFFFAOYSA-N 1 0 382.464 3.009 20 5 GGBDRO COc1cccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC)[NH+]2CCCC2)c1 ZINC000248139319 1433773131 /nfs/dbraw/zinc/77/31/31/1433773131.db2.gz OTLIDWGDQQBMFO-IBGZPJMESA-N 1 0 399.447 3.179 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000248148283 1433774792 /nfs/dbraw/zinc/77/47/92/1433774792.db2.gz UIYFAEVDUHWVCM-HNNXBMFYSA-N 1 0 385.468 3.301 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1[N+](=O)[O-] ZINC000248170591 1433777473 /nfs/dbraw/zinc/77/74/73/1433777473.db2.gz URNRBPLALUQIEQ-YYWHXJBOSA-N 1 0 383.492 3.437 20 5 GGBDRO CN(C(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000248385728 1433791924 /nfs/dbraw/zinc/79/19/24/1433791924.db2.gz JSXXWYIAXQPPOR-WOJBJXKFSA-N 1 0 388.512 3.004 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000248401017 1433797755 /nfs/dbraw/zinc/79/77/55/1433797755.db2.gz YRBSOAXRDZHAOX-AUUYWEPGSA-N 1 0 380.448 3.412 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000248401018 1433797940 /nfs/dbraw/zinc/79/79/40/1433797940.db2.gz YRBSOAXRDZHAOX-IFXJQAMLSA-N 1 0 380.448 3.412 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000248455752 1433804023 /nfs/dbraw/zinc/80/40/23/1433804023.db2.gz LCDLSAQBMVMAJG-UHOSZYNNSA-N 1 0 386.448 3.092 20 5 GGBDRO Cc1nc2c(s1)[C@H]([N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC000248464021 1433805029 /nfs/dbraw/zinc/80/50/29/1433805029.db2.gz QXQSWMVRUPETKI-CZUORRHYSA-N 1 0 377.466 3.109 20 5 GGBDRO CCc1nc2c(s1)[C@H]([N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC000248470728 1433805335 /nfs/dbraw/zinc/80/53/35/1433805335.db2.gz VGMINFQVEUJBMY-CZUORRHYSA-N 1 0 391.493 3.363 20 5 GGBDRO C[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000248547346 1433807743 /nfs/dbraw/zinc/80/77/43/1433807743.db2.gz FDCRDFRNFWHHQE-NJSLBKSFSA-N 1 0 375.444 3.313 20 5 GGBDRO Cc1c(NC(=O)[C@H](C)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000248614727 1433811522 /nfs/dbraw/zinc/81/15/22/1433811522.db2.gz YPINAUVXJACSLP-ULQDDVLXSA-N 1 0 388.512 3.473 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000248823577 1433824140 /nfs/dbraw/zinc/82/41/40/1433824140.db2.gz LQHPBRNHGVOHNP-QVKFZJNVSA-N 1 0 392.459 3.255 20 5 GGBDRO COc1cccc(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000248841065 1433825308 /nfs/dbraw/zinc/82/53/08/1433825308.db2.gz QRNFIODLLPCYPX-JKSUJKDBSA-N 1 0 375.469 3.330 20 5 GGBDRO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000248886136 1433827870 /nfs/dbraw/zinc/82/78/70/1433827870.db2.gz XYSDQRBWBSIEMJ-GMBSWORKSA-N 1 0 385.420 3.066 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000248976593 1433831254 /nfs/dbraw/zinc/83/12/54/1433831254.db2.gz HUKDUGWUJRAYCS-ZIAGYGMSSA-N 1 0 378.375 3.102 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000248999814 1433831938 /nfs/dbraw/zinc/83/19/38/1433831938.db2.gz IHRZIXDNSCXELZ-NEWSRXKRSA-N 1 0 392.839 3.108 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)c1 ZINC000249035693 1433832696 /nfs/dbraw/zinc/83/26/96/1433832696.db2.gz TZFFVQDNJSMOQL-UKRRQHHQSA-N 1 0 378.375 3.102 20 5 GGBDRO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000249116957 1433835871 /nfs/dbraw/zinc/83/58/71/1433835871.db2.gz WLXCBPBOGGTIJT-PBQZTSCYSA-N 1 0 391.374 3.320 20 5 GGBDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000249116950 1433835879 /nfs/dbraw/zinc/83/58/79/1433835879.db2.gz WLXCBPBOGGTIJT-LSKLOWJMSA-N 1 0 391.374 3.320 20 5 GGBDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@@H]2CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000249139803 1433837125 /nfs/dbraw/zinc/83/71/25/1433837125.db2.gz XQILRWSSLRIHCA-KXBFYZLASA-N 1 0 386.448 3.385 20 5 GGBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)c1 ZINC000249264159 1433839767 /nfs/dbraw/zinc/83/97/67/1433839767.db2.gz IIDXOTTZCRXIRW-UKPHBRMFSA-N 1 0 398.385 3.097 20 5 GGBDRO C[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[N@@H+]1CCC[C@H](C)C1 ZINC000252189171 1433862848 /nfs/dbraw/zinc/86/28/48/1433862848.db2.gz RIMZDRFGFUKEPI-NWDGAFQWSA-N 1 0 386.399 3.438 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000252441540 1433863175 /nfs/dbraw/zinc/86/31/75/1433863175.db2.gz NICIVYJEWYREAO-ZIAGYGMSSA-N 1 0 378.448 3.043 20 5 GGBDRO COc1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000252802580 1433864975 /nfs/dbraw/zinc/86/49/75/1433864975.db2.gz PIBHSSLIFQAVLV-WMLDXEAASA-N 1 0 375.469 3.061 20 5 GGBDRO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000261608136 1433897199 /nfs/dbraw/zinc/89/71/99/1433897199.db2.gz BLMIQKQMSRVZJD-LJQANCHMSA-N 1 0 383.448 3.099 20 5 GGBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000261608185 1433897252 /nfs/dbraw/zinc/89/72/52/1433897252.db2.gz BMNIUPRQYIGEJL-MOPGFXCFSA-N 1 0 394.475 3.010 20 5 GGBDRO CCOc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000261618479 1433897442 /nfs/dbraw/zinc/89/74/42/1433897442.db2.gz BZDPFKMLLIMGDX-QGZVFWFLSA-N 1 0 389.839 3.434 20 5 GGBDRO COc1cc(CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000261621689 1433897467 /nfs/dbraw/zinc/89/74/67/1433897467.db2.gz DACWVETUMWDQML-LSDHHAIUSA-N 1 0 393.390 3.132 20 5 GGBDRO C[NH2+][C@@H](C)CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000261629074 1433897844 /nfs/dbraw/zinc/89/78/44/1433897844.db2.gz CDUMOGUIGJJINX-LBPRGKRZSA-N 1 0 376.844 3.198 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000261659425 1433898290 /nfs/dbraw/zinc/89/82/90/1433898290.db2.gz BXXMGMIIFFROEL-INMHGKMJSA-N 1 0 397.479 3.362 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000261659423 1433898368 /nfs/dbraw/zinc/89/83/68/1433898368.db2.gz BXXMGMIIFFROEL-BFYDXBDKSA-N 1 0 397.479 3.362 20 5 GGBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000261675901 1433898827 /nfs/dbraw/zinc/89/88/27/1433898827.db2.gz AKTONWMKLUMDRA-KRWDZBQOSA-N 1 0 389.839 3.190 20 5 GGBDRO CCc1ccc([C@H]2C[NH2+]CCN2CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000261689226 1433899178 /nfs/dbraw/zinc/89/91/78/1433899178.db2.gz IYJAMYHNSWMYRV-LJQANCHMSA-N 1 0 382.464 3.051 20 5 GGBDRO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000261695039 1433899341 /nfs/dbraw/zinc/89/93/41/1433899341.db2.gz IWITVFGAQDAGRO-UHFFFAOYSA-N 1 0 384.411 3.232 20 5 GGBDRO O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261693866 1433899353 /nfs/dbraw/zinc/89/93/53/1433899353.db2.gz FAGZLBXLYDGDNI-IYBDPMFKSA-N 1 0 381.432 3.459 20 5 GGBDRO [NH3+][C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000261715853 1433899820 /nfs/dbraw/zinc/89/98/20/1433899820.db2.gz MYNDHJLRDFGXJY-GOEBONIOSA-N 1 0 376.254 3.284 20 5 GGBDRO [NH3+][C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1c1ccccc1 ZINC000261725131 1433900110 /nfs/dbraw/zinc/90/01/10/1433900110.db2.gz FIOYECILCDMRER-RBUKOAKNSA-N 1 0 378.432 3.219 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)cc1OC ZINC000261774140 1433903069 /nfs/dbraw/zinc/90/30/69/1433903069.db2.gz RPCRVGAWVOVGHR-UHFFFAOYSA-N 1 0 389.383 3.039 20 5 GGBDRO C[NH2+]CC1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC000261795810 1433904442 /nfs/dbraw/zinc/90/44/42/1433904442.db2.gz UKUBHGDBDYEFOT-UHFFFAOYSA-N 1 0 379.258 3.341 20 5 GGBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261832378 1433906046 /nfs/dbraw/zinc/90/60/46/1433906046.db2.gz ZEFSDTOPBDVAEK-UHFFFAOYSA-N 1 0 393.802 3.441 20 5 GGBDRO COc1cc(CN2CC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000261951997 1433916048 /nfs/dbraw/zinc/91/60/48/1433916048.db2.gz GCCJQYQQIMSYGD-QFIPXVFZSA-N 1 0 397.475 3.368 20 5 GGBDRO C[C@@H]1CN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH3+] ZINC000261960353 1433916559 /nfs/dbraw/zinc/91/65/59/1433916559.db2.gz HGRJGVFXLBUFFR-QRWLVFNGSA-N 1 0 377.448 3.227 20 5 GGBDRO C[C@@H]1CN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH3+] ZINC000261960349 1433916655 /nfs/dbraw/zinc/91/66/55/1433916655.db2.gz HGRJGVFXLBUFFR-FOIQADDNSA-N 1 0 377.448 3.227 20 5 GGBDRO COc1cc(C(=O)N2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000261965399 1433917242 /nfs/dbraw/zinc/91/72/42/1433917242.db2.gz LGRFVWARHMVXRW-MRXNPFEDSA-N 1 0 375.812 3.044 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000261981548 1433918992 /nfs/dbraw/zinc/91/89/92/1433918992.db2.gz OEAGTGRKCUFPAQ-KBPBESRZSA-N 1 0 385.420 3.205 20 5 GGBDRO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000261981843 1433919047 /nfs/dbraw/zinc/91/90/47/1433919047.db2.gz CSMZEFGNEDFEJE-UHFFFAOYSA-N 1 0 383.433 3.319 20 5 GGBDRO C[NH2+]CCC1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 ZINC000261985069 1433919276 /nfs/dbraw/zinc/91/92/76/1433919276.db2.gz DELUIJHHHYOGOI-UHFFFAOYSA-N 1 0 388.512 3.293 20 5 GGBDRO C[NH2+][C@H]1CCCN(Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000262007924 1433921547 /nfs/dbraw/zinc/92/15/47/1433921547.db2.gz MABJFPJKJDEWSA-SFHVURJKSA-N 1 0 385.464 3.366 20 5 GGBDRO C[NH2+][C@@H]1CCCN(Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000262007919 1433921658 /nfs/dbraw/zinc/92/16/58/1433921658.db2.gz MABJFPJKJDEWSA-GOSISDBHSA-N 1 0 385.464 3.366 20 5 GGBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000262116124 1433927634 /nfs/dbraw/zinc/92/76/34/1433927634.db2.gz BJXKCSTYTSGJRU-CJNGLKHVSA-N 1 0 393.365 3.428 20 5 GGBDRO CSc1ccc(C(=O)c2ccccc2C(=O)NC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000262522255 1433942203 /nfs/dbraw/zinc/94/22/03/1433942203.db2.gz XTWZBHYTGSMGMT-UHFFFAOYSA-N 1 0 399.472 3.030 20 5 GGBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)CC(C)(C)C[NH3+])cc2[N+](=O)[O-])C1 ZINC000262589902 1433944980 /nfs/dbraw/zinc/94/49/80/1433944980.db2.gz RXIDFFMGAIOWEP-GJZGRUSLSA-N 1 0 376.501 3.134 20 5 GGBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)CC(C)(C)C[NH3+])cc2[N+](=O)[O-])C1 ZINC000262589903 1433945078 /nfs/dbraw/zinc/94/50/78/1433945078.db2.gz RXIDFFMGAIOWEP-HUUCEWRRSA-N 1 0 376.501 3.134 20 5 GGBDRO CCCC[C@H](C[NH3+])NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000262593678 1433945425 /nfs/dbraw/zinc/94/54/25/1433945425.db2.gz HGOYPJZQCSEUMP-GDBMZVCRSA-N 1 0 385.468 3.410 20 5 GGBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000262613079 1433946197 /nfs/dbraw/zinc/94/61/97/1433946197.db2.gz ZDIVERDJLVOODJ-GDBMZVCRSA-N 1 0 385.468 3.266 20 5 GGBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000262637587 1433947523 /nfs/dbraw/zinc/94/75/23/1433947523.db2.gz QFGXRXCJMQIBFO-XOBRGWDASA-N 1 0 385.468 3.266 20 5 GGBDRO CCC([NH3+])(CC)CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000262652284 1433948054 /nfs/dbraw/zinc/94/80/54/1433948054.db2.gz VSPDZLSCPOAVHX-CQSZACIVSA-N 1 0 385.468 3.410 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000262661660 1433948451 /nfs/dbraw/zinc/94/84/51/1433948451.db2.gz ZPNLROPEPJHJST-CABCVRRESA-N 1 0 397.431 3.362 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)cc2[N+](=O)[O-])n1 ZINC000262720217 1433952085 /nfs/dbraw/zinc/95/20/85/1433952085.db2.gz FMEGXLRKQVWPIE-GXFFZTMASA-N 1 0 392.506 3.239 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N[C@@H]3CC[NH2+]C[C@H]3C)cc2[N+](=O)[O-])n1 ZINC000262720220 1433952322 /nfs/dbraw/zinc/95/23/22/1433952322.db2.gz FMEGXLRKQVWPIE-ZWNOBZJWSA-N 1 0 392.506 3.239 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1[N+](=O)[O-])c1ccccn1 ZINC000262845990 1433960770 /nfs/dbraw/zinc/96/07/70/1433960770.db2.gz YLCMRCDAMTYNAJ-JKIFEVAISA-N 1 0 383.452 3.033 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N[C@H]2CCC[NH2+][C@H]2C)cc1[N+](=O)[O-])c1ccccn1 ZINC000262845996 1433960883 /nfs/dbraw/zinc/96/08/83/1433960883.db2.gz YLCMRCDAMTYNAJ-ZQIUZPCESA-N 1 0 383.452 3.033 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc1[N+](=O)[O-])c1ccccn1 ZINC000262845986 1433960943 /nfs/dbraw/zinc/96/09/43/1433960943.db2.gz YLCMRCDAMTYNAJ-GRDNDAEWSA-N 1 0 383.452 3.033 20 5 GGBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000262896643 1433965095 /nfs/dbraw/zinc/96/50/95/1433965095.db2.gz HPHDXNXTUZGCKI-SFHVURJKSA-N 1 0 385.489 3.370 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000262906042 1433965671 /nfs/dbraw/zinc/96/56/71/1433965671.db2.gz QERRNRPYACAHBK-FMKPAKJESA-N 1 0 383.452 3.033 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N[C@@H]3CC[NH2+][C@H](C)C3)cc2[N+](=O)[O-])n1 ZINC000262912667 1433966373 /nfs/dbraw/zinc/96/63/73/1433966373.db2.gz QVHCBLMBWJARHM-ZWNOBZJWSA-N 1 0 392.506 3.381 20 5 GGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)c2c(c1)COCO2 ZINC000263731462 1434026627 /nfs/dbraw/zinc/02/66/27/1434026627.db2.gz YFVYSNNYJHBPFA-FQEVSTJZSA-N 1 0 398.415 3.473 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC2([NH+](C)C)CCCCC2)cc1SC ZINC000264002783 1434060335 /nfs/dbraw/zinc/06/03/35/1434060335.db2.gz LPLVJYWMTCYIDR-UHFFFAOYSA-N 1 0 381.498 3.320 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)C2CC[NH+](C(C)C)CC2)cc1SC ZINC000264001629 1434060433 /nfs/dbraw/zinc/06/04/33/1434060433.db2.gz LBNMFBGBVQALKY-UHFFFAOYSA-N 1 0 381.498 3.270 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+](CC(C)C)CC2)cc1SC ZINC000264108459 1434072417 /nfs/dbraw/zinc/07/24/17/1434072417.db2.gz IMQZYRNTIBRYNI-UHFFFAOYSA-N 1 0 381.498 3.176 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1SC ZINC000264127794 1434073829 /nfs/dbraw/zinc/07/38/29/1434073829.db2.gz KJEAVKRKZNJBAQ-CYBMUJFWSA-N 1 0 381.498 3.177 20 5 GGBDRO CC[N@@H+]1CCCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000264602787 1434133423 /nfs/dbraw/zinc/13/34/23/1434133423.db2.gz FDYQDPRXIRPFBD-INIZCTEOSA-N 1 0 397.479 3.331 20 5 GGBDRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000264750839 1434151666 /nfs/dbraw/zinc/15/16/66/1434151666.db2.gz MEWPBEQNXNFVBK-UHFFFAOYSA-N 1 0 387.436 3.106 20 5 GGBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000264844122 1434159193 /nfs/dbraw/zinc/15/91/93/1434159193.db2.gz KQACHSBTFGELAB-UHFFFAOYSA-N 1 0 399.495 3.182 20 5 GGBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000264949459 1434166929 /nfs/dbraw/zinc/16/69/29/1434166929.db2.gz KPDORILMTGQRRG-UHFFFAOYSA-N 1 0 383.448 3.210 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)N[C@@H](C)CC[NH+](C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000264961986 1434168250 /nfs/dbraw/zinc/16/82/50/1434168250.db2.gz ZTCMSIJZBDQUFW-LSDHHAIUSA-N 1 0 385.468 3.233 20 5 GGBDRO CC(C)[NH2+]C1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000264973742 1434170024 /nfs/dbraw/zinc/17/00/24/1434170024.db2.gz PVACOFUKBGOTCI-UHFFFAOYSA-N 1 0 376.335 3.489 20 5 GGBDRO COC(=O)[C@H]1CC12CC[NH+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)CC2 ZINC000265003067 1434173492 /nfs/dbraw/zinc/17/34/92/1434173492.db2.gz DMBITXZOGIDLEB-MRXNPFEDSA-N 1 0 385.420 3.067 20 5 GGBDRO COC(=O)[C@@H]1CC12CC[NH+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)CC2 ZINC000265003066 1434173532 /nfs/dbraw/zinc/17/35/32/1434173532.db2.gz DMBITXZOGIDLEB-INIZCTEOSA-N 1 0 385.420 3.067 20 5 GGBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000265005596 1434173777 /nfs/dbraw/zinc/17/37/77/1434173777.db2.gz UBVHCKLDORNJDP-CYBMUJFWSA-N 1 0 381.498 3.320 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000265078828 1434182591 /nfs/dbraw/zinc/18/25/91/1434182591.db2.gz QYLKTAVEOJJBIK-CVEARBPZSA-N 1 0 395.525 3.089 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000265078838 1434182623 /nfs/dbraw/zinc/18/26/23/1434182623.db2.gz QYLKTAVEOJJBIK-JKSUJKDBSA-N 1 0 395.525 3.089 20 5 GGBDRO CN(C)C(=O)[C@H]1CCC[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000265180316 1434195178 /nfs/dbraw/zinc/19/51/78/1434195178.db2.gz MYZTVRRFPACBMS-GJZGRUSLSA-N 1 0 388.493 3.455 20 5 GGBDRO CC(C)n1c(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000265480563 1434238193 /nfs/dbraw/zinc/23/81/93/1434238193.db2.gz SKZNOGBGGCQKIV-NSHDSACASA-N 1 0 392.441 3.294 20 5 GGBDRO CN(c1ncc([N+](=O)[O-])cc1Cl)C1CC[NH+](CCc2ccccn2)CC1 ZINC000265572915 1434247210 /nfs/dbraw/zinc/24/72/10/1434247210.db2.gz VHVVCBVQKCYEAB-UHFFFAOYSA-N 1 0 375.860 3.182 20 5 GGBDRO O=C(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)c1csc([N+](=O)[O-])c1 ZINC000265768641 1434263779 /nfs/dbraw/zinc/26/37/79/1434263779.db2.gz NTMFLOAKJHKTIU-UHFFFAOYSA-N 1 0 393.440 3.069 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000265777302 1434264474 /nfs/dbraw/zinc/26/44/74/1434264474.db2.gz OCLKHZMEICBMBX-LPHOPBHVSA-N 1 0 391.512 3.126 20 5 GGBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1)c1ccco1 ZINC000265944722 1434286554 /nfs/dbraw/zinc/28/65/54/1434286554.db2.gz KPSQTULLZZAOOK-OAHLLOKOSA-N 1 0 391.424 3.018 20 5 GGBDRO COc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc([N+](=O)[O-])c1OC ZINC000266015149 1434296535 /nfs/dbraw/zinc/29/65/35/1434296535.db2.gz SBDYDWBJLVBVOA-UHFFFAOYSA-N 1 0 399.447 3.006 20 5 GGBDRO CC(C)(C(=O)NCC1([NH+]2CCCCC2)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000266083242 1434302283 /nfs/dbraw/zinc/30/22/83/1434302283.db2.gz YDYFBHSFPBDOOJ-UHFFFAOYSA-N 1 0 389.496 3.024 20 5 GGBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000266101663 1434303680 /nfs/dbraw/zinc/30/36/80/1434303680.db2.gz LALQIZXPRTWATQ-UHFFFAOYSA-N 1 0 379.460 3.187 20 5 GGBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)c1ccsc1 ZINC000266132554 1434305728 /nfs/dbraw/zinc/30/57/28/1434305728.db2.gz DMLUVCDLQKAKFK-INIZCTEOSA-N 1 0 376.438 3.328 20 5 GGBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)c1ccsc1 ZINC000266132557 1434305761 /nfs/dbraw/zinc/30/57/61/1434305761.db2.gz DMLUVCDLQKAKFK-MRXNPFEDSA-N 1 0 376.438 3.328 20 5 GGBDRO COc1cc(C[NH2+]CC(C)(C)C[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000266184814 1434309077 /nfs/dbraw/zinc/30/90/77/1434309077.db2.gz WPNIBBVEVXBMKM-NSHDSACASA-N 1 0 394.390 3.431 20 5 GGBDRO COc1cc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc([N+](=O)[O-])c1OC ZINC000266552181 1434349013 /nfs/dbraw/zinc/34/90/13/1434349013.db2.gz IJOSVDUYJAYKAR-UHFFFAOYSA-N 1 0 385.420 3.460 20 5 GGBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266646966 1434358443 /nfs/dbraw/zinc/35/84/43/1434358443.db2.gz MQVGICICCXKAIC-UHFFFAOYSA-N 1 0 387.436 3.058 20 5 GGBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000266785702 1434375210 /nfs/dbraw/zinc/37/52/10/1434375210.db2.gz MASSJAWKHGTREJ-UHFFFAOYSA-N 1 0 386.452 3.036 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000267408376 1434429918 /nfs/dbraw/zinc/42/99/18/1434429918.db2.gz HNANDLMOLUOOFD-UONOGXRCSA-N 1 0 377.466 3.257 20 5 GGBDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000267752781 1434461169 /nfs/dbraw/zinc/46/11/69/1434461169.db2.gz RHAPGBUQGUNPCF-UHFFFAOYSA-N 1 0 391.390 3.340 20 5 GGBDRO Cc1ccc([C@@H](C)NC(=O)N2CCC(OCCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000268013407 1434486906 /nfs/dbraw/zinc/48/69/06/1434486906.db2.gz KDTAYSAXSDQMKY-MRXNPFEDSA-N 1 0 392.500 3.107 20 5 GGBDRO Cc1nc2sccn2c1C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000268187744 1434500746 /nfs/dbraw/zinc/50/07/46/1434500746.db2.gz DKOQRHBVIKUDCA-UHFFFAOYSA-N 1 0 387.465 3.381 20 5 GGBDRO Cc1cccc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)c1[N+](=O)[O-] ZINC000268669126 1434545795 /nfs/dbraw/zinc/54/57/95/1434545795.db2.gz ARQISCVOIGCFQR-UHFFFAOYSA-N 1 0 383.452 3.081 20 5 GGBDRO C[NH+](C)C1CCN(c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)nc2)CC1 ZINC000268752721 1434553070 /nfs/dbraw/zinc/55/30/70/1434553070.db2.gz OJQGQRMWRKEIHF-BJMVGYQFSA-N 1 0 395.463 3.172 20 5 GGBDRO Cc1ccc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)cc1[N+](=O)[O-] ZINC000268765269 1434554701 /nfs/dbraw/zinc/55/47/01/1434554701.db2.gz QXOBKKRYAMVHMJ-UHFFFAOYSA-N 1 0 383.452 3.081 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)c1 ZINC000268785470 1434557200 /nfs/dbraw/zinc/55/72/00/1434557200.db2.gz VTHVZNMLLOGTCK-UHFFFAOYSA-N 1 0 383.452 3.081 20 5 GGBDRO Cc1c([C@@H](C)[NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000268819176 1434560835 /nfs/dbraw/zinc/56/08/35/1434560835.db2.gz REDITCOWAZINQS-MRXNPFEDSA-N 1 0 383.448 3.226 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1[N+](=O)[O-] ZINC000268829417 1434562262 /nfs/dbraw/zinc/56/22/62/1434562262.db2.gz QGZWQNGVPYWUFJ-KRWDZBQOSA-N 1 0 396.491 3.142 20 5 GGBDRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000268926638 1434571934 /nfs/dbraw/zinc/57/19/34/1434571934.db2.gz LHQAILVSDNDOPG-AWEZNQCLSA-N 1 0 387.436 3.161 20 5 GGBDRO COc1cc(C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)cc([N+](=O)[O-])c1OC ZINC000269185903 1434603747 /nfs/dbraw/zinc/60/37/47/1434603747.db2.gz STBZLRXRRGTNRV-INIZCTEOSA-N 1 0 387.436 3.165 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000269243288 1434612767 /nfs/dbraw/zinc/61/27/67/1434612767.db2.gz DCZIKSKBLQVCER-LESCRADOSA-N 1 0 397.479 3.410 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000269272724 1434616174 /nfs/dbraw/zinc/61/61/74/1434616174.db2.gz NCWJMGIGZDAYNT-UGSOOPFHSA-N 1 0 385.420 3.205 20 5 GGBDRO CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000269335891 1434626795 /nfs/dbraw/zinc/62/67/95/1434626795.db2.gz BHQZPZGYJYVZOL-GOEBONIOSA-N 1 0 385.468 3.224 20 5 GGBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269349252 1434629378 /nfs/dbraw/zinc/62/93/78/1434629378.db2.gz FXJGIHUEEPVSIZ-UHFFFAOYSA-N 1 0 389.456 3.414 20 5 GGBDRO O=C(c1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000269407410 1434640170 /nfs/dbraw/zinc/64/01/70/1434640170.db2.gz IBHGVUMSFZXJIE-JXFKEZNVSA-N 1 0 398.507 3.284 20 5 GGBDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])nc2)C1 ZINC000269418770 1434642651 /nfs/dbraw/zinc/64/26/51/1434642651.db2.gz JTWDOQOIFSYFFU-ZDUSSCGKSA-N 1 0 389.843 3.036 20 5 GGBDRO CC(C)c1[nH]nc(C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000269432497 1434644831 /nfs/dbraw/zinc/64/48/31/1434644831.db2.gz NUUDXOVCCRGPIT-UHFFFAOYSA-N 1 0 386.456 3.200 20 5 GGBDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)nc2)C1 ZINC000269440667 1434646063 /nfs/dbraw/zinc/64/60/63/1434646063.db2.gz QKIVTJIGSULJCF-INIZCTEOSA-N 1 0 395.419 3.129 20 5 GGBDRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)nc2)C1 ZINC000269452022 1434647883 /nfs/dbraw/zinc/64/78/83/1434647883.db2.gz TXHVRNYHGGJKMM-GOSISDBHSA-N 1 0 397.479 3.046 20 5 GGBDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])nc2)C1 ZINC000269473944 1434651006 /nfs/dbraw/zinc/65/10/06/1434651006.db2.gz ZHXCZXRERMVQCW-AWEZNQCLSA-N 1 0 389.843 3.036 20 5 GGBDRO CC(C)c1n[nH]c(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1[N+](=O)[O-] ZINC000269496234 1434653830 /nfs/dbraw/zinc/65/38/30/1434653830.db2.gz YIMZVQVSKYQAQG-UHFFFAOYSA-N 1 0 391.497 3.145 20 5 GGBDRO O=[N+]([O-])c1cc(F)c(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)c(F)c1 ZINC000269635343 1434665585 /nfs/dbraw/zinc/66/55/85/1434665585.db2.gz MRHIAOFLOJIOQF-VIFPVBQESA-N 1 0 381.408 3.418 20 5 GGBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C2)CC1 ZINC000270053491 1434697220 /nfs/dbraw/zinc/69/72/20/1434697220.db2.gz CWFAVLNYUKPHRE-ZDUSSCGKSA-N 1 0 385.386 3.418 20 5 GGBDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000270111332 1434704107 /nfs/dbraw/zinc/70/41/07/1434704107.db2.gz DGTVIRPTDRYBPL-QGZVFWFLSA-N 1 0 393.447 3.016 20 5 GGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2Cn2cnc3ccccc32)c2c(c1)COCO2 ZINC000270464290 1434735641 /nfs/dbraw/zinc/73/56/41/1434735641.db2.gz MMMAAACTWQJZPW-KRWDZBQOSA-N 1 0 394.431 3.476 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000270707058 1434764340 /nfs/dbraw/zinc/76/43/40/1434764340.db2.gz AUPFPQXSCQGHMC-AWEZNQCLSA-N 1 0 383.514 3.039 20 5 GGBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCOC)C1 ZINC000270798396 1434776373 /nfs/dbraw/zinc/77/63/73/1434776373.db2.gz LNGBQAHVVHJREZ-OAHLLOKOSA-N 1 0 395.525 3.137 20 5 GGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCOC)C1 ZINC000270833800 1434779717 /nfs/dbraw/zinc/77/97/17/1434779717.db2.gz SSAFIFKKAMVANV-OAHLLOKOSA-N 1 0 395.525 3.137 20 5 GGBDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000270945642 1434789970 /nfs/dbraw/zinc/78/99/70/1434789970.db2.gz KFFRZMFBTKCRQM-UHFFFAOYSA-N 1 0 377.485 3.114 20 5 GGBDRO COC[C@H]1CC[N@H+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000271150503 1434804996 /nfs/dbraw/zinc/80/49/96/1434804996.db2.gz AWOUPDYVJOQCNO-NSHDSACASA-N 1 0 378.347 3.013 20 5 GGBDRO COC[C@@H]1CC[N@H+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000271150501 1434805026 /nfs/dbraw/zinc/80/50/26/1434805026.db2.gz AWOUPDYVJOQCNO-LLVKDONJSA-N 1 0 378.347 3.013 20 5 GGBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000271359369 1434818952 /nfs/dbraw/zinc/81/89/52/1434818952.db2.gz YEOBSHNTWGQQFV-UHFFFAOYSA-N 1 0 385.468 3.013 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3COC4(CCCC4)O3)cs2)c1 ZINC000271470475 1434827356 /nfs/dbraw/zinc/82/73/56/1434827356.db2.gz VRGILSVEIJUPPA-MRXNPFEDSA-N 1 0 375.450 3.494 20 5 GGBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000271473258 1434827563 /nfs/dbraw/zinc/82/75/63/1434827563.db2.gz IQAIFBXENREHLH-GFCCVEGCSA-N 1 0 384.404 3.484 20 5 GGBDRO CCOc1ccc([C@H](C)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000271497453 1434829605 /nfs/dbraw/zinc/82/96/05/1434829605.db2.gz LLCNVZGWLUNELL-POZUXBRTSA-N 1 0 377.485 3.022 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(N2CCOC2=O)cc1 ZINC000271636867 1434840909 /nfs/dbraw/zinc/84/09/09/1434840909.db2.gz ADUIUZWYAGMJAN-KGLIPLIRSA-N 1 0 398.419 3.229 20 5 GGBDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000271759634 1434848382 /nfs/dbraw/zinc/84/83/82/1434848382.db2.gz CJQDROHAQHOBBK-KBPBESRZSA-N 1 0 398.419 3.229 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000271777640 1434849892 /nfs/dbraw/zinc/84/98/92/1434849892.db2.gz FHTUUDAFECHOSF-AWEZNQCLSA-N 1 0 396.447 3.102 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(N2CCOC2=O)c1 ZINC000271786850 1434850654 /nfs/dbraw/zinc/85/06/54/1434850654.db2.gz JCNYGLGNTMLAES-KGLIPLIRSA-N 1 0 398.419 3.229 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000271787297 1434850680 /nfs/dbraw/zinc/85/06/80/1434850680.db2.gz IEHYPYHGZILCSV-ASHKIFAZSA-N 1 0 389.477 3.320 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc([S@@](C)=O)cc1 ZINC000271821355 1434852653 /nfs/dbraw/zinc/85/26/53/1434852653.db2.gz PEAWVZYPBMLFPA-QFDBLCPBSA-N 1 0 375.450 3.010 20 5 GGBDRO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000271821846 1434852671 /nfs/dbraw/zinc/85/26/71/1434852671.db2.gz QGVKXVXZLJTBNK-KBPBESRZSA-N 1 0 398.419 3.229 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(N2CCOC2=O)c1 ZINC000271821849 1434852812 /nfs/dbraw/zinc/85/28/12/1434852812.db2.gz QGVKXVXZLJTBNK-KGLIPLIRSA-N 1 0 398.419 3.229 20 5 GGBDRO Cc1c(C[NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cccc1[N+](=O)[O-] ZINC000271846138 1434854553 /nfs/dbraw/zinc/85/45/53/1434854553.db2.gz QPTJEAGVZTZKOC-AWEZNQCLSA-N 1 0 377.466 3.004 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000271855560 1434855107 /nfs/dbraw/zinc/85/51/07/1434855107.db2.gz XSDCLYFDYVKMTA-CQSZACIVSA-N 1 0 398.419 3.149 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N3CC[C@@H]([C@H](C)[NH3+])C3)cc2[N+](=O)[O-])n1 ZINC000272197299 1434877436 /nfs/dbraw/zinc/87/74/36/1434877436.db2.gz GAYKUYCEDHALCZ-WCQYABFASA-N 1 0 392.506 3.320 20 5 GGBDRO COc1cc(C[NH2+]C[C@H](c2ccco2)N(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272368003 1434890926 /nfs/dbraw/zinc/89/09/26/1434890926.db2.gz GDFYKAQHXZUOAH-CQSZACIVSA-N 1 0 399.394 3.233 20 5 GGBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000272416057 1434894902 /nfs/dbraw/zinc/89/49/02/1434894902.db2.gz ZOJXGURIPYADDB-LLVKDONJSA-N 1 0 386.399 3.390 20 5 GGBDRO COc1cc(C[NH2+]CCCCn2ccnc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272417853 1434895117 /nfs/dbraw/zinc/89/51/17/1434895117.db2.gz LNZYNIOEHGGGSH-UHFFFAOYSA-N 1 0 398.410 3.322 20 5 GGBDRO COc1cc(C[NH2+]Cc2cccc(CO)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272430317 1434895633 /nfs/dbraw/zinc/89/56/33/1434895633.db2.gz NHVJLVXFQAKDNC-UHFFFAOYSA-N 1 0 382.363 3.029 20 5 GGBDRO COc1cc(C[NH2+][C@@H]2CCOC3(CCC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272433971 1434896034 /nfs/dbraw/zinc/89/60/34/1434896034.db2.gz NQIPFKZCRHXYQG-CYBMUJFWSA-N 1 0 386.395 3.439 20 5 GGBDRO Cn1ccnc1[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000272472957 1434898929 /nfs/dbraw/zinc/89/89/29/1434898929.db2.gz ARXSDIAIXOXJQG-HXUWFJFHSA-N 1 0 379.464 3.269 20 5 GGBDRO CC(C)C[N@@H+]1CCC[C@@H](CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272494707 1434900124 /nfs/dbraw/zinc/90/01/24/1434900124.db2.gz FOKRHMSECGXPNW-FXAWDEMLSA-N 1 0 385.512 3.375 20 5 GGBDRO C[NH+]1CCC(C)(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000272559882 1434907910 /nfs/dbraw/zinc/90/79/10/1434907910.db2.gz TVOJYRUQWGMARK-UHFFFAOYSA-N 1 0 377.488 3.003 20 5 GGBDRO Cn1ccnc1[C@@H](N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272575035 1434909696 /nfs/dbraw/zinc/90/96/96/1434909696.db2.gz WXTBKAICAVWYNQ-FPOVZHCZSA-N 1 0 391.475 3.282 20 5 GGBDRO Cc1cc(N2CCn3c(nnc3C(F)(F)F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272866791 1434937248 /nfs/dbraw/zinc/93/72/48/1434937248.db2.gz RVUYLTFZJUFMNF-UHFFFAOYSA-N 1 0 378.314 3.082 20 5 GGBDRO COc1ccc(CNC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000272871381 1434937651 /nfs/dbraw/zinc/93/76/51/1434937651.db2.gz WRAHLDFEAPHJRY-GOEBONIOSA-N 1 0 390.484 3.056 20 5 GGBDRO COc1ccc(OCC[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c([N+](=O)[O-])c1 ZINC000272872609 1434937839 /nfs/dbraw/zinc/93/78/39/1434937839.db2.gz AWZUTMYICRXKDT-SRGMZFCMSA-N 1 0 378.450 3.070 20 5 GGBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000272942501 1434942842 /nfs/dbraw/zinc/94/28/42/1434942842.db2.gz LFOTVMXFUWNOQN-MDNHHPLHSA-N 1 0 389.477 3.318 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000273005749 1434949426 /nfs/dbraw/zinc/94/94/26/1434949426.db2.gz IGMGWRPOGBDEJT-MRXNPFEDSA-N 1 0 378.469 3.148 20 5 GGBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c2ncccc12 ZINC000273066074 1434956792 /nfs/dbraw/zinc/95/67/92/1434956792.db2.gz DUVSIMJUCNNEQQ-KRWDZBQOSA-N 1 0 378.432 3.322 20 5 GGBDRO Cn1cc(C[NH2+]C[C@@H](O)CCc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000273182448 1434970019 /nfs/dbraw/zinc/97/00/19/1434970019.db2.gz XVFIBRQDIDNNIK-FQEVSTJZSA-N 1 0 380.448 3.079 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000273300017 1434979268 /nfs/dbraw/zinc/97/92/68/1434979268.db2.gz GYKJTXFHWQUZHE-INIZCTEOSA-N 1 0 394.431 3.000 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1SC ZINC000273317387 1434980342 /nfs/dbraw/zinc/98/03/42/1434980342.db2.gz VSYVXUNNCVJZQK-GFCCVEGCSA-N 1 0 381.498 3.128 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1SC ZINC000273317389 1434980379 /nfs/dbraw/zinc/98/03/79/1434980379.db2.gz VSYVXUNNCVJZQK-LBPRGKRZSA-N 1 0 381.498 3.128 20 5 GGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)cc1[N+](=O)[O-] ZINC000273324016 1434980909 /nfs/dbraw/zinc/98/09/09/1434980909.db2.gz ZVEMUQPXIATMFT-YJBOKZPZSA-N 1 0 398.463 3.230 20 5 GGBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000273520168 1434994332 /nfs/dbraw/zinc/99/43/32/1434994332.db2.gz QJPMWBQXUINKKE-LESCRADOSA-N 1 0 393.484 3.253 20 5 GGBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000273642676 1435001988 /nfs/dbraw/zinc/00/19/88/1435001988.db2.gz UTETVPZHSUWTKN-INIZCTEOSA-N 1 0 376.501 3.289 20 5 GGBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000273928932 1435029463 /nfs/dbraw/zinc/02/94/63/1435029463.db2.gz RNXYMFPCYQIZGZ-OAHLLOKOSA-N 1 0 377.460 3.202 20 5 GGBDRO CC(C)(C(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000273988206 1435034903 /nfs/dbraw/zinc/03/49/03/1435034903.db2.gz WGCHANNCCILKEY-UHFFFAOYSA-N 1 0 377.460 3.488 20 5 GGBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC2CCC(C(F)(F)F)CC2)cc1 ZINC000274256426 1435055336 /nfs/dbraw/zinc/05/53/36/1435055336.db2.gz LRIBLAOHTJUULQ-UHFFFAOYSA-N 1 0 394.415 3.327 20 5 GGBDRO COc1cc(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc([N+](=O)[O-])c1OC ZINC000274592616 1435080001 /nfs/dbraw/zinc/08/00/01/1435080001.db2.gz FQNIMDCOLSCGLV-SCLBCKFNSA-N 1 0 387.436 3.033 20 5 GGBDRO Cc1nc2sccn2c1C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000275626617 1435153869 /nfs/dbraw/zinc/15/38/69/1435153869.db2.gz PJPTVKITLGQHCK-UHFFFAOYSA-N 1 0 391.428 3.212 20 5 GGBDRO C[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccc([S@](C)=O)cc1 ZINC000275628273 1435154129 /nfs/dbraw/zinc/15/41/29/1435154129.db2.gz PRLNDIXXSIWLOV-JWNZJDHWSA-N 1 0 393.440 3.151 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000275805782 1435171182 /nfs/dbraw/zinc/17/11/82/1435171182.db2.gz UIRKEKDXSUUUEZ-IMJJTQAJSA-N 1 0 383.452 3.163 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000275805791 1435171183 /nfs/dbraw/zinc/17/11/83/1435171183.db2.gz UIRKEKDXSUUUEZ-NUEKZKHPSA-N 1 0 383.452 3.163 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)NCC2([NH+](C)C)CCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000275875546 1435176403 /nfs/dbraw/zinc/17/64/03/1435176403.db2.gz KHZGJIYEOQXHCQ-HNNXBMFYSA-N 1 0 397.479 3.377 20 5 GGBDRO COCCC[NH+]1CCC(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000275881445 1435176766 /nfs/dbraw/zinc/17/67/66/1435176766.db2.gz WQFCXBUSIROBQY-UHFFFAOYSA-N 1 0 393.487 3.324 20 5 GGBDRO CS[C@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@H]1[NH+](C)C ZINC000275910257 1435179215 /nfs/dbraw/zinc/17/92/15/1435179215.db2.gz DJNQHIHMZONKTR-MOPGFXCFSA-N 1 0 381.501 3.211 20 5 GGBDRO O=[N+]([O-])c1ccc2c(c1NCc1ccccc1C[NH+]1CCC(O)CC1)CCN2 ZINC000276343516 1435205916 /nfs/dbraw/zinc/20/59/16/1435205916.db2.gz WZQPDMPSMBQOHR-UHFFFAOYSA-N 1 0 382.464 3.132 20 5 GGBDRO CCOC(=O)c1csc(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000276479196 1435213604 /nfs/dbraw/zinc/21/36/04/1435213604.db2.gz FPYGPFUKEWLPHI-OAHLLOKOSA-N 1 0 389.477 3.381 20 5 GGBDRO COC(=O)c1cc(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c(C)c([N+](=O)[O-])c1 ZINC000277072163 1435258933 /nfs/dbraw/zinc/25/89/33/1435258933.db2.gz BQJYMYRXSABESF-HNNXBMFYSA-N 1 0 392.456 3.028 20 5 GGBDRO COC(=O)c1cc(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c(C)c([N+](=O)[O-])c1 ZINC000277072164 1435258958 /nfs/dbraw/zinc/25/89/58/1435258958.db2.gz BQJYMYRXSABESF-OAHLLOKOSA-N 1 0 392.456 3.028 20 5 GGBDRO CC[C@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000277152353 1435269620 /nfs/dbraw/zinc/26/96/20/1435269620.db2.gz DXGZHPQMVXITOV-KRWDZBQOSA-N 1 0 383.514 3.228 20 5 GGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000277152206 1435269662 /nfs/dbraw/zinc/26/96/62/1435269662.db2.gz DUPXPRYBLSGSQB-HNNXBMFYSA-N 1 0 397.541 3.098 20 5 GGBDRO Cc1noc(C[C@@H]([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 ZINC000277229701 1435281483 /nfs/dbraw/zinc/28/14/83/1435281483.db2.gz GPHSVRBTMXWJGP-FZKQIMNGSA-N 1 0 395.419 3.187 20 5 GGBDRO CC1CCN(c2ccc(C(=O)N3CCC[C@@H]([NH+](C)C)CC3)cc2[N+](=O)[O-])CC1 ZINC000277278047 1435288234 /nfs/dbraw/zinc/28/82/34/1435288234.db2.gz NBUAAZHMWYEYRZ-GOSISDBHSA-N 1 0 388.512 3.387 20 5 GGBDRO COc1ccc(OCC[NH2+][C@@H](Cc2nc(C)no2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000277359970 1435298042 /nfs/dbraw/zinc/29/80/42/1435298042.db2.gz XBQLVDYKMIYVJJ-KRWDZBQOSA-N 1 0 398.419 3.247 20 5 GGBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@@H]([NH+](C)C)CC2)CC1 ZINC000277381961 1435300601 /nfs/dbraw/zinc/30/06/01/1435300601.db2.gz WNITVVAILXSJAG-QGZVFWFLSA-N 1 0 388.512 3.387 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1c2ccc(C)cc2[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000277559990 1435313023 /nfs/dbraw/zinc/31/30/23/1435313023.db2.gz JWCJPLAONBIVKM-PKOBYXMFSA-N 1 0 381.432 3.360 20 5 GGBDRO CCOC(=O)c1n[nH]c(C2CC[NH+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000277678675 1435321379 /nfs/dbraw/zinc/32/13/79/1435321379.db2.gz GFASCUOIXKYAHB-CYBMUJFWSA-N 1 0 387.440 3.139 20 5 GGBDRO CCNC(=O)COc1cccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000278178640 1435367018 /nfs/dbraw/zinc/36/70/18/1435367018.db2.gz DGJSIGJDLXVCAF-FQEVSTJZSA-N 1 0 383.448 3.277 20 5 GGBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCC1CC[NH+](C2CC2)CC1 ZINC000278294479 1435377231 /nfs/dbraw/zinc/37/72/31/1435377231.db2.gz AMGXJDORSMYIRM-UHFFFAOYSA-N 1 0 381.860 3.008 20 5 GGBDRO Cn1cc(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000278342372 1435381851 /nfs/dbraw/zinc/38/18/51/1435381851.db2.gz HTTLVPRSEUDECH-CXAGYDPISA-N 1 0 398.385 3.131 20 5 GGBDRO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCC([NH2+]C2CC2)CC1 ZINC000278370274 1435384686 /nfs/dbraw/zinc/38/46/86/1435384686.db2.gz DMERGOAESVAIKA-UHFFFAOYSA-N 1 0 380.317 3.365 20 5 GGBDRO CN(C)c1ncc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])n1C ZINC000278436284 1435390803 /nfs/dbraw/zinc/39/08/03/1435390803.db2.gz JZMZDLBBVUKTKP-UHFFFAOYSA-N 1 0 394.304 3.056 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000278443228 1435391222 /nfs/dbraw/zinc/39/12/22/1435391222.db2.gz FJOPAPRZOKHPJJ-UHFFFAOYSA-N 1 0 383.452 3.081 20 5 GGBDRO CC[N@H+](C)C[C@@H]1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000278535185 1435398126 /nfs/dbraw/zinc/39/81/26/1435398126.db2.gz UMUUNVVTBAPWHA-JTQLQIEISA-N 1 0 382.333 3.422 20 5 GGBDRO CC[N@H+](C)C[C@H]1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000278535186 1435398152 /nfs/dbraw/zinc/39/81/52/1435398152.db2.gz UMUUNVVTBAPWHA-SNVBAGLBSA-N 1 0 382.333 3.422 20 5 GGBDRO CCn1nccc1C1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000278819208 1435426703 /nfs/dbraw/zinc/42/67/03/1435426703.db2.gz HHFKYCPZRFUBNT-UHFFFAOYSA-N 1 0 385.468 3.328 20 5 GGBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(NS(C)(=O)=O)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000279158093 1435466033 /nfs/dbraw/zinc/46/60/33/1435466033.db2.gz TYNIBMBOONEEMH-GOSISDBHSA-N 1 0 389.477 3.479 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000279409022 1435496119 /nfs/dbraw/zinc/49/61/19/1435496119.db2.gz KHBGHKZRVNKGOE-CQSZACIVSA-N 1 0 386.427 3.053 20 5 GGBDRO CC[NH+]1CCC(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC000279725085 1435535339 /nfs/dbraw/zinc/53/53/39/1435535339.db2.gz MTGIWQKRJSAHFG-UHFFFAOYSA-N 1 0 383.448 3.388 20 5 GGBDRO C[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC2(CCOCC2)O1 ZINC000279925558 1435564509 /nfs/dbraw/zinc/56/45/09/1435564509.db2.gz WMRAKEKPLUXVEK-HNNXBMFYSA-N 1 0 387.436 3.062 20 5 GGBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000279998067 1435574524 /nfs/dbraw/zinc/57/45/24/1435574524.db2.gz KXVYOWYZRBBISG-HUUCEWRRSA-N 1 0 375.469 3.376 20 5 GGBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000280219198 1435611387 /nfs/dbraw/zinc/61/13/87/1435611387.db2.gz QTYCVVSROQUJIR-CQSZACIVSA-N 1 0 383.851 3.407 20 5 GGBDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000280261390 1435620868 /nfs/dbraw/zinc/62/08/68/1435620868.db2.gz ZASLDQJQAYBQQY-UHFFFAOYSA-N 1 0 397.479 3.207 20 5 GGBDRO C[NH+]1CCC([C@H]2CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000280296389 1435628791 /nfs/dbraw/zinc/62/87/91/1435628791.db2.gz WVAJUBHDCJXNAC-ZDUSSCGKSA-N 1 0 383.851 3.120 20 5 GGBDRO Cc1ccc([C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@H](C)S(C)(=O)=O)cc1 ZINC000280689887 1435704236 /nfs/dbraw/zinc/70/42/36/1435704236.db2.gz BBJWLMNQWODLDQ-KXBFYZLASA-N 1 0 376.478 3.210 20 5 GGBDRO Cc1ccc([C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280689878 1435704551 /nfs/dbraw/zinc/70/45/51/1435704551.db2.gz BBJWLMNQWODLDQ-DNVCBOLYSA-N 1 0 376.478 3.210 20 5 GGBDRO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c2c(c1)COCO2 ZINC000280716064 1435708582 /nfs/dbraw/zinc/70/85/82/1435708582.db2.gz BTZITNDWSLXJLP-GUDVDZBRSA-N 1 0 376.453 3.367 20 5 GGBDRO Cc1ccc([C@@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])[C@@H](C)S(C)(=O)=O)cc1 ZINC000280817453 1435725623 /nfs/dbraw/zinc/72/56/23/1435725623.db2.gz NANLKICSBSQPFV-BEFAXECRSA-N 1 0 392.477 3.046 20 5 GGBDRO CCC(=O)c1ccc(NCc2cccc(C(=O)NCC[NH+](C)C)c2)c([N+](=O)[O-])c1 ZINC000280823514 1435726509 /nfs/dbraw/zinc/72/65/09/1435726509.db2.gz YHNLPPIJODQNQR-UHFFFAOYSA-N 1 0 398.463 3.091 20 5 GGBDRO O=c1[nH]c(NC2CC[NH+](Cc3ccccc3)CC2)nc2ccc([N+](=O)[O-])cc21 ZINC000280984345 1435751267 /nfs/dbraw/zinc/75/12/67/1435751267.db2.gz NSSQUBCHEAVMFS-UHFFFAOYSA-N 1 0 379.420 3.320 20 5 GGBDRO O=c1[nH]c(N[C@H](C[NH+]2CCCC2)c2ccccc2)nc2ccc([N+](=O)[O-])cc21 ZINC000281064753 1435766867 /nfs/dbraw/zinc/76/68/67/1435766867.db2.gz ZMFHVTWPNVQAHG-GOSISDBHSA-N 1 0 379.420 3.493 20 5 GGBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccco1)[NH+](CC)CC ZINC000281068291 1435767219 /nfs/dbraw/zinc/76/72/19/1435767219.db2.gz ZLMBVUWPCHRLNL-HNNXBMFYSA-N 1 0 375.425 3.399 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+][C@@]3(CO)CCOc4ccccc43)o2)c1 ZINC000281446628 1435809211 /nfs/dbraw/zinc/80/92/11/1435809211.db2.gz AAFLBSMXCCCXJE-OAQYLSRUSA-N 1 0 395.415 3.052 20 5 GGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C2CCN(c3nccs3)CC2)c1 ZINC000282299547 1435842244 /nfs/dbraw/zinc/84/22/44/1435842244.db2.gz RRFFABGSFUPRIM-UHFFFAOYSA-N 1 0 384.408 3.411 20 5 GGBDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000282402390 1435845915 /nfs/dbraw/zinc/84/59/15/1435845915.db2.gz FKOFHKAJJCKTQZ-IAGOWNOFSA-N 1 0 393.484 3.253 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c1 ZINC000282717789 1435857639 /nfs/dbraw/zinc/85/76/39/1435857639.db2.gz VQJRPXMLQAKKPD-UHFFFAOYSA-N 1 0 398.463 3.306 20 5 GGBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000282747351 1435858850 /nfs/dbraw/zinc/85/88/50/1435858850.db2.gz YNFMXOPZBUVYOQ-INIZCTEOSA-N 1 0 376.482 3.143 20 5 GGBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000283202005 1435879046 /nfs/dbraw/zinc/87/90/46/1435879046.db2.gz LJMGZAQHUUWUDN-UHFFFAOYSA-N 1 0 384.480 3.083 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)c1 ZINC000283355546 1435885882 /nfs/dbraw/zinc/88/58/82/1435885882.db2.gz ZLNLAKZHJAPNPU-HNNXBMFYSA-N 1 0 398.463 3.464 20 5 GGBDRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283527979 1435894022 /nfs/dbraw/zinc/89/40/22/1435894022.db2.gz NOBFLEPYOWRJHR-HNNXBMFYSA-N 1 0 394.435 3.197 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c1 ZINC000283640513 1435899063 /nfs/dbraw/zinc/89/90/63/1435899063.db2.gz CDZWAJJIPMQUIJ-UHFFFAOYSA-N 1 0 375.400 3.124 20 5 GGBDRO CC(=O)c1cc(N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000283734026 1435912578 /nfs/dbraw/zinc/91/25/78/1435912578.db2.gz IDWXKYFNVZPTON-HUUCEWRRSA-N 1 0 375.469 3.123 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000283890819 1435946275 /nfs/dbraw/zinc/94/62/75/1435946275.db2.gz IUPHKLVLIHQNRF-KBPBESRZSA-N 1 0 378.448 3.043 20 5 GGBDRO CN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000283973572 1435964691 /nfs/dbraw/zinc/96/46/91/1435964691.db2.gz MHOXFADMJOOPKN-UHFFFAOYSA-N 1 0 386.427 3.053 20 5 GGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000284157672 1436000458 /nfs/dbraw/zinc/00/04/58/1436000458.db2.gz PWMYBZMEWHNFBY-WBVHZDCISA-N 1 0 379.319 3.401 20 5 GGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000284157666 1436000513 /nfs/dbraw/zinc/00/05/13/1436000513.db2.gz PWMYBZMEWHNFBY-DOTOQJQBSA-N 1 0 379.319 3.401 20 5 GGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000284157668 1436000533 /nfs/dbraw/zinc/00/05/33/1436000533.db2.gz PWMYBZMEWHNFBY-NVXWUHKLSA-N 1 0 379.319 3.401 20 5 GGBDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284252062 1436007358 /nfs/dbraw/zinc/00/73/58/1436007358.db2.gz RIGZZQGJKUWOKF-CHWSQXEVSA-N 1 0 377.466 3.382 20 5 GGBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000284489031 1436025550 /nfs/dbraw/zinc/02/55/50/1436025550.db2.gz VENBMFWCSKZZGP-FQEVSTJZSA-N 1 0 396.447 3.046 20 5 GGBDRO Cc1c(NC(=O)CCN2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000284672740 1436039144 /nfs/dbraw/zinc/03/91/44/1436039144.db2.gz GKYGLYDTFLSCMY-LJQANCHMSA-N 1 0 396.491 3.091 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284741435 1436045138 /nfs/dbraw/zinc/04/51/38/1436045138.db2.gz BJIKFJMMKDLGMD-UHFFFAOYSA-N 1 0 383.448 3.306 20 5 GGBDRO CC[C@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000284789414 1436050350 /nfs/dbraw/zinc/05/03/50/1436050350.db2.gz JNXJHQLFJSHYBK-WAOWUJCRSA-N 1 0 397.479 3.264 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[NH2+]CC[C@@H]43)c(Cl)nn2)c1 ZINC001164411157 718877376 /nfs/dbraw/zinc/87/73/76/718877376.db2.gz NEVYRWBTYIRDTA-ZFWWWQNUSA-N 1 0 395.797 3.191 20 5 GGBDRO [NH3+][C@]12C[C@H]1CN(C(F)(F)c1cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c1)C2 ZINC001164416690 718889227 /nfs/dbraw/zinc/88/92/27/718889227.db2.gz FQSMFZXVICCHBS-LRDDRELGSA-N 1 0 380.782 3.393 20 5 GGBDRO O=[N+]([O-])c1cc(C(F)(F)N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)cnc1Cl ZINC001164425483 718940021 /nfs/dbraw/zinc/94/00/21/718940021.db2.gz VOQNHRJQKYEMDZ-UONOGXRCSA-N 1 0 380.782 3.264 20 5 GGBDRO [NH3+][C@@H]1[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)C[C@H]21 ZINC001164440767 718988161 /nfs/dbraw/zinc/98/81/61/718988161.db2.gz RSBNQRJQUVTFTR-FICVDOATSA-N 1 0 380.782 3.248 20 5 GGBDRO CCOc1nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ccc1[N+](=O)[O-] ZINC001164631614 719090376 /nfs/dbraw/zinc/09/03/76/719090376.db2.gz YRVBSZSXIAPZAD-IEBWSBKVSA-N 1 0 382.464 3.489 20 5 GGBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc(C)c1[N+](=O)[O-])C2 ZINC001164811032 720096286 /nfs/dbraw/zinc/09/62/86/720096286.db2.gz NGDVLZJWGNEEKZ-KXBFYZLASA-N 1 0 394.903 3.136 20 5 GGBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc3ccc([N+](=O)[O-])cc3n1)C2 ZINC001164811378 720099202 /nfs/dbraw/zinc/09/92/02/720099202.db2.gz ODJQAXKABPBYLG-XMSQKQJNSA-N 1 0 396.491 3.328 20 5 GGBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc([N+](=O)[O-])c3ccccc31)C2 ZINC001164812509 720106073 /nfs/dbraw/zinc/10/60/73/720106073.db2.gz OYDIIUBWNXPGFX-HTAPYJJXSA-N 1 0 396.491 3.328 20 5 GGBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc3c(cccc3[N+](=O)[O-])n1)C2 ZINC001164807043 720110126 /nfs/dbraw/zinc/11/01/26/720110126.db2.gz ASYXNNCFKYVCSN-VGOFRKELSA-N 1 0 396.491 3.328 20 5 GGBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc3ccc([N+](=O)[O-])cc31)C2 ZINC001164818531 720154739 /nfs/dbraw/zinc/15/47/39/720154739.db2.gz TVJLVKNWLIZETP-PGRDOPGGSA-N 1 0 396.491 3.328 20 5 GGBDRO O=[N+]([O-])c1ccc2ccc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc2c1 ZINC001164725419 720366288 /nfs/dbraw/zinc/36/62/88/720366288.db2.gz NHXFDWPAWTYJCB-UXHICEINSA-N 1 0 375.432 3.391 20 5 GGBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c2ccccc21 ZINC001164726978 720374634 /nfs/dbraw/zinc/37/46/34/720374634.db2.gz QAOUONJCMRSQMT-OALUTQOASA-N 1 0 375.432 3.391 20 5 GGBDRO Cc1c(C)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)ncc1[N+](=O)[O-] ZINC001164835840 720555507 /nfs/dbraw/zinc/55/55/07/720555507.db2.gz IDSVQKPPUPDTSY-GBESFXJTSA-N 1 0 398.511 3.181 20 5 GGBDRO Cc1c(C)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)ncc1[N+](=O)[O-] ZINC001164835842 720556436 /nfs/dbraw/zinc/55/64/36/720556436.db2.gz IDSVQKPPUPDTSY-IPMKNSEASA-N 1 0 398.511 3.181 20 5 GGBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncc([N+](=O)[O-])cc1Cl)[C@@H]2C ZINC001164854857 720925278 /nfs/dbraw/zinc/92/52/78/720925278.db2.gz GIFSJTJCVNLQHO-GFCCVEGCSA-N 1 0 378.864 3.261 20 5 GGBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncnc3ccc([N+](=O)[O-])cc31)[C@H]2C ZINC001164860449 720953723 /nfs/dbraw/zinc/95/37/23/720953723.db2.gz PUPKRULICZWQSC-AWEZNQCLSA-N 1 0 395.467 3.156 20 5 GGBDRO COc1nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)ccc1[N+](=O)[O-] ZINC001164793782 721491828 /nfs/dbraw/zinc/49/18/28/721491828.db2.gz VYOUQKAXVBVWFA-UHFFFAOYSA-N 1 0 397.479 3.274 20 5 GGBDRO COc1cnc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c([N+](=O)[O-])c1 ZINC001164792009 721494549 /nfs/dbraw/zinc/49/45/49/721494549.db2.gz JLJAELUSGYXCMQ-UHFFFAOYSA-N 1 0 397.479 3.274 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164909258 721539165 /nfs/dbraw/zinc/53/91/65/721539165.db2.gz RAXGBYJLIRLXNW-WMZOPIPTSA-N 1 0 386.427 3.088 20 5 GGBDRO O=[N+]([O-])c1cccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905492 721692155 /nfs/dbraw/zinc/69/21/55/721692155.db2.gz JOWBPULBEIFZCM-GOSISDBHSA-N 1 0 389.406 3.123 20 5 GGBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165023993 721800722 /nfs/dbraw/zinc/80/07/22/721800722.db2.gz KPIIEKGOSAEMLG-FFZOFVMBSA-N 1 0 381.480 3.430 20 5 GGBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165023990 721800784 /nfs/dbraw/zinc/80/07/84/721800784.db2.gz KPIIEKGOSAEMLG-DBVUQKKJSA-N 1 0 381.480 3.430 20 5 GGBDRO Cc1cnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001165025025 721801110 /nfs/dbraw/zinc/80/11/10/721801110.db2.gz NECKKPJDXWRPSA-UHOSZYNNSA-N 1 0 381.480 3.430 20 5 GGBDRO COc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)ccc1[N+](=O)[O-] ZINC001165026313 721805017 /nfs/dbraw/zinc/80/50/17/721805017.db2.gz QORJOLYBMHSSCZ-SZMVWBNQSA-N 1 0 397.479 3.130 20 5 GGBDRO Cc1ccnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1[N+](=O)[O-] ZINC001165028792 721805496 /nfs/dbraw/zinc/80/54/96/721805496.db2.gz ZSLRFMBQVABGIC-QXAKKESOSA-N 1 0 381.480 3.430 20 5 GGBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3F)C[C@H]21 ZINC001165026902 721808461 /nfs/dbraw/zinc/80/84/61/721808461.db2.gz SDKGJJOZFQGTSR-POZUXBRTSA-N 1 0 385.443 3.261 20 5 GGBDRO COc1cnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001165025219 721810087 /nfs/dbraw/zinc/81/00/87/721810087.db2.gz MARZHHPBAHIPAH-IPELMVKDSA-N 1 0 397.479 3.130 20 5 GGBDRO O=[N+]([O-])c1cccc2nc(N3CC[NH+](CCOc4ccccc4)CC3)ccc21 ZINC001165044702 721955973 /nfs/dbraw/zinc/95/59/73/721955973.db2.gz OUMKRCSPFDMOTQ-UHFFFAOYSA-N 1 0 378.432 3.344 20 5 GGBDRO CCOc1nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)ccc1[N+](=O)[O-] ZINC001164955414 722019804 /nfs/dbraw/zinc/01/98/04/722019804.db2.gz FQCJIXIQUPDJQF-UHFFFAOYSA-N 1 0 397.479 3.276 20 5 GGBDRO COc1nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC001164993938 722195902 /nfs/dbraw/zinc/19/59/02/722195902.db2.gz JODRDARAHKHMKD-FQEVSTJZSA-N 1 0 386.427 3.382 20 5 GGBDRO CC(C)(C)C[N@@H+](CC(=O)[O-])CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001588655710 960409616 /nfs/dbraw/zinc/40/96/16/960409616.db2.gz JDBFMIVCRSCBHZ-UHFFFAOYSA-N 1 0 391.512 3.282 20 5 GGBDRO CC(C)(C)[C@H](CC(=O)[O-])[NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001589704429 987811762 /nfs/dbraw/zinc/81/17/62/987811762.db2.gz BKHVVWPRHSTDJI-IBGZPJMESA-N 1 0 391.512 3.328 20 5 GGBDRO CC[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000018892165 210220348 /nfs/dbraw/zinc/22/03/48/210220348.db2.gz QAPWAXOUJNALKY-LFYBBSHMSA-N 1 0 380.448 3.389 20 5 GGBDRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000012786700 210009731 /nfs/dbraw/zinc/00/97/31/210009731.db2.gz IVLYRGHQOUWLOV-UHFFFAOYSA-N 1 0 397.431 3.239 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](c1cnn(C)c1)c1ccccc1 ZINC000359960955 209207374 /nfs/dbraw/zinc/20/73/74/209207374.db2.gz QIRZIJZVFOCGGQ-NRFANRHFSA-N 1 0 393.447 3.345 20 5 GGBDRO CCc1ccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000096007025 211292495 /nfs/dbraw/zinc/29/24/95/211292495.db2.gz VUDCOAOEFRYYNY-FQEVSTJZSA-N 1 0 397.475 3.044 20 5 GGBDRO CCc1ccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000096007022 211292663 /nfs/dbraw/zinc/29/26/63/211292663.db2.gz VUDCOAOEFRYYNY-HXUWFJFHSA-N 1 0 397.475 3.044 20 5 GGBDRO Cc1c(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)cccc1[N+](=O)[O-] ZINC000095460111 211244284 /nfs/dbraw/zinc/24/42/84/211244284.db2.gz LBXCXTRIYVAMSV-UHFFFAOYSA-N 1 0 397.475 3.350 20 5 GGBDRO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1([NH+]2CCOCC2)CCCC1 ZINC000079064593 211155304 /nfs/dbraw/zinc/15/53/04/211155304.db2.gz OXHHZILPMNFPPW-CYBMUJFWSA-N 1 0 396.875 3.403 20 5 GGBDRO O=C(C[NH+](CC1CC1)CC1CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000115562607 564195022 /nfs/dbraw/zinc/19/50/22/564195022.db2.gz FZWUDCBCKNHECC-UHFFFAOYSA-N 1 0 382.258 3.418 20 5 GGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000118948867 564247867 /nfs/dbraw/zinc/24/78/67/564247867.db2.gz QUWFHVNMOZDDEY-BETUJISGSA-N 1 0 398.301 3.455 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCc3nnc[nH]3)o2)c(Br)c1 ZINC000119160587 564257229 /nfs/dbraw/zinc/25/72/29/564257229.db2.gz DXQOBZUOEVZHIR-UHFFFAOYSA-N 1 0 392.213 3.068 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2CCCC[C@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000119978608 564297893 /nfs/dbraw/zinc/29/78/93/564297893.db2.gz ZAJXSMHRDUPAFB-ZDUSSCGKSA-N 1 0 384.274 3.222 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)NCCC[NH+](C)C)cc2[N+](=O)[O-])n1 ZINC000120292609 564314038 /nfs/dbraw/zinc/31/40/38/564314038.db2.gz CZVJQSNSYZCRAM-UHFFFAOYSA-N 1 0 380.495 3.192 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3CCS(=O)(=O)CC3)s2)cc1 ZINC000120802104 564337680 /nfs/dbraw/zinc/33/76/80/564337680.db2.gz YBLRXAPWJVGOMN-UHFFFAOYSA-N 1 0 380.491 3.238 20 5 GGBDRO Cc1c(Br)cc(C(=O)NCCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000120876484 564341270 /nfs/dbraw/zinc/34/12/70/564341270.db2.gz XLAAJBZVBJFBBX-UHFFFAOYSA-N 1 0 384.274 3.127 20 5 GGBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000026713077 564348592 /nfs/dbraw/zinc/34/85/92/564348592.db2.gz GNPGVGPRLBCYMF-BLLLJJGKSA-N 1 0 395.253 3.448 20 5 GGBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000026713085 564348786 /nfs/dbraw/zinc/34/87/86/564348786.db2.gz GNPGVGPRLBCYMF-LRDDRELGSA-N 1 0 395.253 3.448 20 5 GGBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000026713081 564349011 /nfs/dbraw/zinc/34/90/11/564349011.db2.gz GNPGVGPRLBCYMF-WBMJQRKESA-N 1 0 395.253 3.448 20 5 GGBDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCCCC1 ZINC000026956378 564351702 /nfs/dbraw/zinc/35/17/02/564351702.db2.gz BKJZNZJMBVLJGG-UHFFFAOYSA-N 1 0 389.905 3.181 20 5 GGBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000121193620 564359168 /nfs/dbraw/zinc/35/91/68/564359168.db2.gz FAAMBFPJJNZLHO-UHFFFAOYSA-N 1 0 396.241 3.154 20 5 GGBDRO CN1CCc2nc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)sc2C1 ZINC000122458363 564414747 /nfs/dbraw/zinc/41/47/47/564414747.db2.gz OZYDAXGJPKTLAV-UHFFFAOYSA-N 1 0 397.254 3.054 20 5 GGBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000122633497 564421352 /nfs/dbraw/zinc/42/13/52/564421352.db2.gz YGGMPORXBVGXCW-GFCCVEGCSA-N 1 0 384.274 3.352 20 5 GGBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000122951358 564433085 /nfs/dbraw/zinc/43/30/85/564433085.db2.gz SJWZFPYGVXNAPB-UONOGXRCSA-N 1 0 382.258 3.056 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2CCN(C)C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000124857650 564495472 /nfs/dbraw/zinc/49/54/72/564495472.db2.gz AZQXGKUDHYZIIG-HNNXBMFYSA-N 1 0 384.274 3.078 20 5 GGBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000125811443 564527758 /nfs/dbraw/zinc/52/77/58/564527758.db2.gz RTQDCPMTXPQVNP-ZDUSSCGKSA-N 1 0 398.301 3.470 20 5 GGBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000125890743 564530065 /nfs/dbraw/zinc/53/00/65/564530065.db2.gz ZEYMXEDCRFGQOF-ZDUSSCGKSA-N 1 0 384.274 3.222 20 5 GGBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000125890464 564530281 /nfs/dbraw/zinc/53/02/81/564530281.db2.gz ZEYMXEDCRFGQOF-CYBMUJFWSA-N 1 0 384.274 3.222 20 5 GGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000125986945 564533097 /nfs/dbraw/zinc/53/30/97/564533097.db2.gz IFMKNVXAWQGACI-CHWSQXEVSA-N 1 0 398.301 3.136 20 5 GGBDRO Cc1c(Br)cc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000126776984 564561891 /nfs/dbraw/zinc/56/18/91/564561891.db2.gz ZKAAEPKHUYBDJY-QWHCGFSZSA-N 1 0 384.274 3.268 20 5 GGBDRO C[C@@H](CNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000057838149 564675396 /nfs/dbraw/zinc/67/53/96/564675396.db2.gz NGFAOJQOQMPUKE-JTQLQIEISA-N 1 0 380.798 3.315 20 5 GGBDRO COc1cc(C[N@H+](C)[C@H]2CCSC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000130552116 564686295 /nfs/dbraw/zinc/68/62/95/564686295.db2.gz QEAIFBKXXMSUSY-NSHDSACASA-N 1 0 380.388 3.482 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000130606310 564686932 /nfs/dbraw/zinc/68/69/32/564686932.db2.gz CVZOBISSCHODQN-INIZCTEOSA-N 1 0 392.253 3.390 20 5 GGBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000132883070 564756184 /nfs/dbraw/zinc/75/61/84/564756184.db2.gz ZIECTZJOFGGJND-UHFFFAOYSA-N 1 0 392.253 3.188 20 5 GGBDRO O=[N+]([O-])c1cc(C[NH2+][C@]2(CO)CCc3ccccc32)ccc1Br ZINC000135907018 564842716 /nfs/dbraw/zinc/84/27/16/564842716.db2.gz CRUFOHXRTUFSDG-KRWDZBQOSA-N 1 0 377.238 3.281 20 5 GGBDRO C[C@H](c1ccccn1)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000091704206 564871182 /nfs/dbraw/zinc/87/11/82/564871182.db2.gz ZRHDGIFVYCEJCU-LLVKDONJSA-N 1 0 393.241 3.384 20 5 GGBDRO O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150808242 564892304 /nfs/dbraw/zinc/89/23/04/564892304.db2.gz LSDXAZVRVCHUOO-CQSZACIVSA-N 1 0 396.285 3.448 20 5 GGBDRO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1Br)Cc1ccccc1 ZINC000150841626 564893294 /nfs/dbraw/zinc/89/32/94/564893294.db2.gz XAZRVJRTIXURIK-UHFFFAOYSA-N 1 0 392.253 3.219 20 5 GGBDRO CC[NH+]1CCC(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)CC1 ZINC000151250211 564911784 /nfs/dbraw/zinc/91/17/84/564911784.db2.gz PAOLBTXVCCDYMH-UHFFFAOYSA-N 1 0 390.665 3.225 20 5 GGBDRO CN(C)C(=O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000102425990 564929498 /nfs/dbraw/zinc/92/94/98/564929498.db2.gz FDBCQISXMKNSFO-UHFFFAOYSA-N 1 0 396.241 3.185 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCC[NH+]1CCCCCC1 ZINC000151662241 564931914 /nfs/dbraw/zinc/93/19/14/564931914.db2.gz YLXHXTOJCGIAQF-UHFFFAOYSA-N 1 0 398.301 3.282 20 5 GGBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000152861929 564974812 /nfs/dbraw/zinc/97/48/12/564974812.db2.gz XMXUDILEDXAZDH-UHFFFAOYSA-N 1 0 392.253 3.349 20 5 GGBDRO CC[NH+]1CCC(Nc2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000107809443 565003434 /nfs/dbraw/zinc/00/34/34/565003434.db2.gz UKXRFZRQACPYFX-UHFFFAOYSA-N 1 0 375.210 3.096 20 5 GGBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000153906160 565016708 /nfs/dbraw/zinc/01/67/08/565016708.db2.gz JMXVALUAOLPNEL-HNNXBMFYSA-N 1 0 396.285 3.448 20 5 GGBDRO CC[NH+](CC)CCCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000154587579 565045472 /nfs/dbraw/zinc/04/54/72/565045472.db2.gz YHBANHPNBZFDPM-UHFFFAOYSA-N 1 0 386.290 3.138 20 5 GGBDRO C[NH+](C)CCC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000154592710 565045779 /nfs/dbraw/zinc/04/57/79/565045779.db2.gz IEIQOFQYNSSGNE-UHFFFAOYSA-N 1 0 398.301 3.090 20 5 GGBDRO C[NH2+]C[C@H](C)CNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000154634318 565047368 /nfs/dbraw/zinc/04/73/68/565047368.db2.gz LMZKYKUTXXHOAD-JTQLQIEISA-N 1 0 380.495 3.096 20 5 GGBDRO CC(C)[NH2+]C1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000155173918 565063339 /nfs/dbraw/zinc/06/33/39/565063339.db2.gz WIPJQIAUAKALBR-UHFFFAOYSA-N 1 0 385.262 3.352 20 5 GGBDRO O=[N+]([O-])c1cc(I)ccc1NCC[NH+]1CCCCC1 ZINC000112590166 565064793 /nfs/dbraw/zinc/06/47/93/565064793.db2.gz IMPOYELTNYYZIL-UHFFFAOYSA-N 1 0 375.210 3.097 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccsc1 ZINC000267497318 565119213 /nfs/dbraw/zinc/11/92/13/565119213.db2.gz RHZQDZAPCNGPET-CQSZACIVSA-N 1 0 398.282 3.452 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccsc1 ZINC000267497315 565119273 /nfs/dbraw/zinc/11/92/73/565119273.db2.gz RHZQDZAPCNGPET-AWEZNQCLSA-N 1 0 398.282 3.452 20 5 GGBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000267939912 565134909 /nfs/dbraw/zinc/13/49/09/565134909.db2.gz RNURSYCNXIBLSJ-GHMZBOCLSA-N 1 0 388.237 3.099 20 5 GGBDRO CC(C)[NH+]1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000267937312 565134948 /nfs/dbraw/zinc/13/49/48/565134948.db2.gz QZHFWWNCORHCCT-UHFFFAOYSA-N 1 0 388.237 3.099 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1cccs1 ZINC000184851609 565161235 /nfs/dbraw/zinc/16/12/35/565161235.db2.gz XRPVQEOONJHPBL-AWEZNQCLSA-N 1 0 382.873 3.412 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)c1cccs1 ZINC000158638030 565175987 /nfs/dbraw/zinc/17/59/87/565175987.db2.gz TWGLXRWSWVMQDO-CYBMUJFWSA-N 1 0 398.282 3.452 20 5 GGBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000269340028 565187550 /nfs/dbraw/zinc/18/75/50/565187550.db2.gz VLXPTEBRMQBVFH-CQSZACIVSA-N 1 0 382.258 3.058 20 5 GGBDRO O=[N+]([O-])c1cncc(Br)c1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000270370273 565216244 /nfs/dbraw/zinc/21/62/44/565216244.db2.gz MPFHOCNDNHWBCC-UHFFFAOYSA-N 1 0 392.257 3.224 20 5 GGBDRO CN1Cc2ccccc2[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000372296129 565229974 /nfs/dbraw/zinc/22/99/74/565229974.db2.gz CJFWUYKIZIEOSX-MRXNPFEDSA-N 1 0 390.237 3.274 20 5 GGBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000186290903 565251932 /nfs/dbraw/zinc/25/19/32/565251932.db2.gz BDLRJEBJYNHOSY-ZDUSSCGKSA-N 1 0 398.301 3.281 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000372935112 565261742 /nfs/dbraw/zinc/26/17/42/565261742.db2.gz PXHGAKQSGXPDKF-CYBMUJFWSA-N 1 0 384.274 3.222 20 5 GGBDRO C[N@@H+](C[C@H](O)c1ccccc1Br)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000295433901 565265540 /nfs/dbraw/zinc/26/55/40/565265540.db2.gz VZTVRDMECBDQDJ-SJORKVTESA-N 1 0 395.253 3.056 20 5 GGBDRO C[C@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000272711080 565295924 /nfs/dbraw/zinc/29/59/24/565295924.db2.gz KRXSXOAUFKUGRJ-JTQLQIEISA-N 1 0 383.246 3.129 20 5 GGBDRO O=[N+]([O-])c1cc(Br)cnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000161912095 565297662 /nfs/dbraw/zinc/29/76/62/565297662.db2.gz MLDGEIWFFXQTOP-BXUZGUMPSA-N 1 0 381.274 3.205 20 5 GGBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000273288334 565315235 /nfs/dbraw/zinc/31/52/35/565315235.db2.gz PETKUIGGYZLFPR-LLVKDONJSA-N 1 0 384.274 3.160 20 5 GGBDRO Cc1c(Br)cc(C(=O)NC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000162958030 565332283 /nfs/dbraw/zinc/33/22/83/565332283.db2.gz MDUBKPCDZJZZQN-UHFFFAOYSA-N 1 0 384.274 3.268 20 5 GGBDRO CC[NH+]1CCC(N(C)C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CC1 ZINC000163989866 565354199 /nfs/dbraw/zinc/35/41/99/565354199.db2.gz USSSZYMFLQVLRV-UHFFFAOYSA-N 1 0 384.274 3.222 20 5 GGBDRO CCC[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000187785561 565354708 /nfs/dbraw/zinc/35/47/08/565354708.db2.gz JQHNGWJRVOFLJW-AWEZNQCLSA-N 1 0 383.495 3.066 20 5 GGBDRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000274738312 565379412 /nfs/dbraw/zinc/37/94/12/565379412.db2.gz CICQJSZRJLWJNH-UHFFFAOYSA-N 1 0 382.869 3.374 20 5 GGBDRO C[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000375380517 565384312 /nfs/dbraw/zinc/38/43/12/565384312.db2.gz PTLPBIGLHSMIEA-WBMJQRKESA-N 1 0 387.311 3.364 20 5 GGBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)NC1CC[NH+](C2CCC2)CC1 ZINC000297874723 565390287 /nfs/dbraw/zinc/39/02/87/565390287.db2.gz VHUKNQZCYDFSNT-UHFFFAOYSA-N 1 0 397.273 3.496 20 5 GGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000171051730 565405458 /nfs/dbraw/zinc/40/54/58/565405458.db2.gz KAEBEMRWLULKGV-HWKANZROSA-N 1 0 380.853 3.325 20 5 GGBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000277102598 565476900 /nfs/dbraw/zinc/47/69/00/565476900.db2.gz CPXKXPZPTIJZMG-LLVKDONJSA-N 1 0 388.237 3.053 20 5 GGBDRO COc1cccc([C@@H](CNc2ncc([N+](=O)[O-])cc2Br)[NH+](C)C)c1 ZINC000301500661 565490565 /nfs/dbraw/zinc/49/05/65/565490565.db2.gz WWELBHWXPMPZMN-OAHLLOKOSA-N 1 0 395.257 3.476 20 5 GGBDRO C[N@H+](CCNc1ncc(Br)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000301708546 565506029 /nfs/dbraw/zinc/50/60/29/565506029.db2.gz WPDBGOXJZASXGX-UHFFFAOYSA-N 1 0 383.221 3.435 20 5 GGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000172831199 565506150 /nfs/dbraw/zinc/50/61/50/565506150.db2.gz ZKNIJXUYIGRCDB-GFCCVEGCSA-N 1 0 384.274 3.304 20 5 GGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000172831205 565506643 /nfs/dbraw/zinc/50/66/43/565506643.db2.gz ZKNIJXUYIGRCDB-LBPRGKRZSA-N 1 0 384.274 3.304 20 5 GGBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(Br)c1 ZINC000301754484 565509033 /nfs/dbraw/zinc/50/90/33/565509033.db2.gz CNUHKMDFPSTPJG-XHDPSFHLSA-N 1 0 381.274 3.205 20 5 GGBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000378286161 565520370 /nfs/dbraw/zinc/52/03/70/565520370.db2.gz RXLUNHJMNUDVHV-NEPJUHHUSA-N 1 0 383.246 3.106 20 5 GGBDRO C[NH+]1CCC2(CCCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000378333108 565522354 /nfs/dbraw/zinc/52/23/54/565522354.db2.gz ICGKRYNCBGLMNF-UHFFFAOYSA-N 1 0 382.258 3.058 20 5 GGBDRO COc1cc(C[N@@H+]2CCSC[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000190448830 565533372 /nfs/dbraw/zinc/53/33/72/565533372.db2.gz VLRLAQUAQSALKS-NSHDSACASA-N 1 0 376.425 3.432 20 5 GGBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2sc(Br)cc2[N+](=O)[O-])C1 ZINC000278129517 565541883 /nfs/dbraw/zinc/54/18/83/565541883.db2.gz MPOALYXJAHKUAH-DTWKUNHWSA-N 1 0 376.276 3.021 20 5 GGBDRO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000173280553 565543554 /nfs/dbraw/zinc/54/35/54/565543554.db2.gz SHPHEAXBXFOZFI-CYBMUJFWSA-N 1 0 396.285 3.352 20 5 GGBDRO C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173341349 565550569 /nfs/dbraw/zinc/55/05/69/565550569.db2.gz PEERATVUYORIRS-GFCCVEGCSA-N 1 0 392.253 3.438 20 5 GGBDRO C[C@@H]([NH2+]CCNC(=O)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000173412888 565556358 /nfs/dbraw/zinc/55/63/58/565556358.db2.gz WMRVBQBRBOCDSQ-GFCCVEGCSA-N 1 0 392.253 3.438 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000408005674 565591138 /nfs/dbraw/zinc/59/11/38/565591138.db2.gz RVCMRUMVTKLNOA-LRDDRELGSA-N 1 0 396.285 3.222 20 5 GGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc3c(cc2Br)OCO3)cc1 ZINC000321134687 565604480 /nfs/dbraw/zinc/60/44/80/565604480.db2.gz LLHJBCSHDVYAQH-UHFFFAOYSA-N 1 0 379.210 3.418 20 5 GGBDRO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279430464 565612302 /nfs/dbraw/zinc/61/23/02/565612302.db2.gz GOHFQEJHQMNQOY-KBPBESRZSA-N 1 0 380.388 3.059 20 5 GGBDRO Cc1c(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000326317471 565623345 /nfs/dbraw/zinc/62/33/45/565623345.db2.gz ULZPGDDMQLYUPU-HNNXBMFYSA-N 1 0 395.253 3.195 20 5 GGBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000175017698 565673538 /nfs/dbraw/zinc/67/35/38/565673538.db2.gz PSCSGWZJINIEBC-WCQYABFASA-N 1 0 382.258 3.056 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000330481211 565708585 /nfs/dbraw/zinc/70/85/85/565708585.db2.gz OXQSGCCWNPRWFK-CYBMUJFWSA-N 1 0 396.285 3.366 20 5 GGBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000330573631 565712572 /nfs/dbraw/zinc/71/25/72/565712572.db2.gz ZHHTYQPNATWJKY-LBPRGKRZSA-N 1 0 398.301 3.089 20 5 GGBDRO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176020283 565740809 /nfs/dbraw/zinc/74/08/09/565740809.db2.gz YMUUVTIJGNHFIC-CQSZACIVSA-N 1 0 396.285 3.352 20 5 GGBDRO C[N@@H+](Cc1ccc(Br)cc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193315960 565744603 /nfs/dbraw/zinc/74/46/03/565744603.db2.gz AVGLDTOHPZQHCB-HNNXBMFYSA-N 1 0 395.253 3.229 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000331419845 565759236 /nfs/dbraw/zinc/75/92/36/565759236.db2.gz KROKMEGWUHPWQO-CYBMUJFWSA-N 1 0 396.285 3.366 20 5 GGBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000331501459 565763474 /nfs/dbraw/zinc/76/34/74/565763474.db2.gz HHTBJDGNDVDVMZ-TZMCWYRMSA-N 1 0 383.901 3.426 20 5 GGBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000331517940 565764289 /nfs/dbraw/zinc/76/42/89/565764289.db2.gz DQHJRWCNHFODCI-JSGCOSHPSA-N 1 0 383.901 3.426 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000331530312 565765451 /nfs/dbraw/zinc/76/54/51/565765451.db2.gz PEJOPCBVNCJXAL-GXSJLCMTSA-N 1 0 382.258 3.021 20 5 GGBDRO COCC[C@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000282214480 565770859 /nfs/dbraw/zinc/77/08/59/565770859.db2.gz MHPGRPIQLNVZJP-LLVKDONJSA-N 1 0 399.241 3.104 20 5 GGBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000331827319 565787238 /nfs/dbraw/zinc/78/72/38/565787238.db2.gz JCLPJKQNLMPBCK-ZJUUUORDSA-N 1 0 388.287 3.118 20 5 GGBDRO CC1CC[NH+](CCCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000176927518 565815390 /nfs/dbraw/zinc/81/53/90/565815390.db2.gz GDHNNAINSVNGLW-UHFFFAOYSA-N 1 0 384.274 3.209 20 5 GGBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000332220181 565818032 /nfs/dbraw/zinc/81/80/32/565818032.db2.gz VOUFOUMJJUHDSP-CQSZACIVSA-N 1 0 383.901 3.427 20 5 GGBDRO C[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000177049373 565825356 /nfs/dbraw/zinc/82/53/56/565825356.db2.gz YSVKOFPOKMKVGA-GFCCVEGCSA-N 1 0 384.274 3.208 20 5 GGBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000332302968 565826918 /nfs/dbraw/zinc/82/69/18/565826918.db2.gz NREANUXXYKRQQD-AWEZNQCLSA-N 1 0 383.901 3.427 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000332308274 565828343 /nfs/dbraw/zinc/82/83/43/565828343.db2.gz MATLBPRZWLVUOF-CABCVRRESA-N 1 0 382.258 3.022 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000332368294 565832445 /nfs/dbraw/zinc/83/24/45/565832445.db2.gz WEBWXVAUUQKMPX-CYBMUJFWSA-N 1 0 396.285 3.366 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000332533190 565842425 /nfs/dbraw/zinc/84/24/25/565842425.db2.gz SWEVTBGIYIXMPM-BXUZGUMPSA-N 1 0 396.285 3.365 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000332533198 565843226 /nfs/dbraw/zinc/84/32/26/565843226.db2.gz SWEVTBGIYIXMPM-SMDDNHRTSA-N 1 0 396.285 3.365 20 5 GGBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000177349792 565844536 /nfs/dbraw/zinc/84/45/36/565844536.db2.gz DKHLNNDFTGZCRV-GFCCVEGCSA-N 1 0 384.274 3.161 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000284226906 565846423 /nfs/dbraw/zinc/84/64/23/565846423.db2.gz DQWIDEFKGLEWFB-MEBBXXQBSA-N 1 0 384.274 3.078 20 5 GGBDRO Cc1c(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000332608406 565847474 /nfs/dbraw/zinc/84/74/74/565847474.db2.gz FJJZEEOKRCRUAP-GWCFXTLKSA-N 1 0 397.273 3.366 20 5 GGBDRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1Br ZINC000177444167 565851345 /nfs/dbraw/zinc/85/13/45/565851345.db2.gz XUCLGFUSZMSYRK-UHFFFAOYSA-N 1 0 396.285 3.494 20 5 GGBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C1 ZINC000284398008 565852440 /nfs/dbraw/zinc/85/24/40/565852440.db2.gz QLRFWWSRROKJSZ-CYBMUJFWSA-N 1 0 398.301 3.470 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000284453490 565853666 /nfs/dbraw/zinc/85/36/66/565853666.db2.gz INHFYOZXFXSPHF-UHFFFAOYSA-N 1 0 382.258 3.022 20 5 GGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C1 ZINC000284491234 565856533 /nfs/dbraw/zinc/85/65/33/565856533.db2.gz YMVOKAARNUDHIK-CYBMUJFWSA-N 1 0 398.301 3.470 20 5 GGBDRO C[NH+](C)CCN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CCCC1 ZINC000177559342 565860006 /nfs/dbraw/zinc/86/00/06/565860006.db2.gz SVUIPVINFGFRCN-UHFFFAOYSA-N 1 0 384.274 3.304 20 5 GGBDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000285200549 565893518 /nfs/dbraw/zinc/89/35/18/565893518.db2.gz OBUMZRXWANQCKG-GXTWGEPZSA-N 1 0 380.388 3.059 20 5 GGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000414331870 565912429 /nfs/dbraw/zinc/91/24/29/565912429.db2.gz RCLFPZUBJUKPBN-CQSZACIVSA-N 1 0 386.539 3.270 20 5 GGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)cc1[N+](=O)[O-] ZINC000414368872 565916399 /nfs/dbraw/zinc/91/63/99/565916399.db2.gz SYOLCYVVWDJZDX-LLVKDONJSA-N 1 0 383.857 3.055 20 5 GGBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Br)cc1F ZINC000285668168 565920574 /nfs/dbraw/zinc/92/05/74/565920574.db2.gz NFVVJNMAMIQYCM-JTQLQIEISA-N 1 0 384.205 3.009 20 5 GGBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000285939120 565933593 /nfs/dbraw/zinc/93/35/93/565933593.db2.gz USQYELDLJUCPBO-ABAIWWIYSA-N 1 0 382.258 3.056 20 5 GGBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000285979210 565935897 /nfs/dbraw/zinc/93/58/97/565935897.db2.gz XAPPNSPCRLLCTE-YPMHNXCESA-N 1 0 382.258 3.056 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000178756980 565936414 /nfs/dbraw/zinc/93/64/14/565936414.db2.gz ZGLRZYPMJHUZSO-CQSZACIVSA-N 1 0 396.285 3.366 20 5 GGBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000236607414 565939605 /nfs/dbraw/zinc/93/96/05/565939605.db2.gz OPWRHCVVIFMQJR-UHFFFAOYSA-N 1 0 398.282 3.329 20 5 GGBDRO O=C(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1 ZINC000236617240 565940889 /nfs/dbraw/zinc/94/08/89/565940889.db2.gz YIFIJFHWMDXJMI-UHFFFAOYSA-N 1 0 378.226 3.476 20 5 GGBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000236630241 565941361 /nfs/dbraw/zinc/94/13/61/565941361.db2.gz SRLGKELAOCTWMG-UHFFFAOYSA-N 1 0 392.253 3.267 20 5 GGBDRO CC[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H](O)C(C)C ZINC000414525412 565945718 /nfs/dbraw/zinc/94/57/18/565945718.db2.gz JQBHAQIWMZAEKB-KBPBESRZSA-N 1 0 392.237 3.085 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC3CC[NH2+]CC3)o2)c(Br)c1 ZINC000414790784 565961095 /nfs/dbraw/zinc/96/10/95/565961095.db2.gz QDKJQVHSLOKMCP-UHFFFAOYSA-N 1 0 380.242 3.459 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@H]4C[NH2+]C[C@@H]43)o2)c(Br)c1 ZINC000414793899 565961229 /nfs/dbraw/zinc/96/12/29/565961229.db2.gz UTXYORFOBULJRY-BZNIZROVSA-N 1 0 392.253 3.411 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CCC[NH2+]C3)o2)c(Br)c1 ZINC000414864852 565964095 /nfs/dbraw/zinc/96/40/95/565964095.db2.gz KHRITZSGYUYAPI-NSHDSACASA-N 1 0 380.242 3.459 20 5 GGBDRO [NH3+][C@@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C1CC1 ZINC000414889324 565964325 /nfs/dbraw/zinc/96/43/25/565964325.db2.gz LKPNVFOZDTWVOW-HNNXBMFYSA-N 1 0 380.242 3.444 20 5 GGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000179314857 565972843 /nfs/dbraw/zinc/97/28/43/565972843.db2.gz HXSDGUAXMGRYNU-UHFFFAOYSA-N 1 0 392.253 3.184 20 5 GGBDRO Cc1c(Br)cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000245501508 565992977 /nfs/dbraw/zinc/99/29/77/565992977.db2.gz AUYCAPKSURGLPF-QMTHXVAHSA-N 1 0 384.274 3.078 20 5 GGBDRO Cc1c(NC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415662882 566011820 /nfs/dbraw/zinc/01/18/20/566011820.db2.gz RSMQRUNOQVKAQV-PWSUYJOCSA-N 1 0 385.262 3.305 20 5 GGBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000287336759 566012076 /nfs/dbraw/zinc/01/20/76/566012076.db2.gz VSFBBVDXSBZEIX-XHDPSFHLSA-N 1 0 382.258 3.056 20 5 GGBDRO Cc1c(NC(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000415655490 566012169 /nfs/dbraw/zinc/01/21/69/566012169.db2.gz KIQVUGNZTXYWFP-JOYOIKCWSA-N 1 0 385.262 3.257 20 5 GGBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000287415941 566017233 /nfs/dbraw/zinc/01/72/33/566017233.db2.gz ZTFOCUQBAUOWRK-XHDPSFHLSA-N 1 0 382.258 3.056 20 5 GGBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000246158458 566018267 /nfs/dbraw/zinc/01/82/67/566018267.db2.gz HIWOGVJTRZGKFV-UPJWGTAASA-N 1 0 398.301 3.454 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2CCC3(CCC[N@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000363934642 566026866 /nfs/dbraw/zinc/02/68/66/566026866.db2.gz VTNXNWGYURCJJV-UHFFFAOYSA-N 1 0 396.285 3.366 20 5 GGBDRO CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCCC1 ZINC000416107424 566034633 /nfs/dbraw/zinc/03/46/33/566034633.db2.gz OMGSVTDGWOSPBP-UHFFFAOYSA-N 1 0 384.274 3.304 20 5 GGBDRO C[NH+]1CCC2(CCCN2C(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000364430992 566051611 /nfs/dbraw/zinc/05/16/11/566051611.db2.gz UMGFIMKMURAKJG-UHFFFAOYSA-N 1 0 382.258 3.058 20 5 GGBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000288146546 566058364 /nfs/dbraw/zinc/05/83/64/566058364.db2.gz KVKLTIDRWSTANA-YPMHNXCESA-N 1 0 382.258 3.056 20 5 GGBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180434519 566062933 /nfs/dbraw/zinc/06/29/33/566062933.db2.gz ZMDJCDOADFHJOZ-MLGOLLRUSA-N 1 0 395.253 3.448 20 5 GGBDRO C[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C1CCOCC1 ZINC000289297470 566116548 /nfs/dbraw/zinc/11/65/48/566116548.db2.gz AYYFQKGDDOEKOX-JTQLQIEISA-N 1 0 390.221 3.104 20 5 GGBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000289540244 566127075 /nfs/dbraw/zinc/12/70/75/566127075.db2.gz DZHYWFQTADFHFA-YPMHNXCESA-N 1 0 382.258 3.056 20 5 GGBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000181361080 566136313 /nfs/dbraw/zinc/13/63/13/566136313.db2.gz SGUNENLMDAABAH-DOMZBBRYSA-N 1 0 395.253 3.448 20 5 GGBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000290540188 566177889 /nfs/dbraw/zinc/17/78/89/566177889.db2.gz OMVBSCYYFKZVJR-RYUDHWBXSA-N 1 0 382.258 3.056 20 5 GGBDRO COCCC(=O)N1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000290785465 566189269 /nfs/dbraw/zinc/18/92/69/566189269.db2.gz CQTGSNTVSIXZCC-UHFFFAOYSA-N 1 0 390.267 3.019 20 5 GGBDRO C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1Br)[NH+]1CCCCC1 ZINC000182249776 566192663 /nfs/dbraw/zinc/19/26/63/566192663.db2.gz DHVMCWHVADKIOG-LBPRGKRZSA-N 1 0 384.274 3.352 20 5 GGBDRO CC(C)n1c(Sc2ncc([N+](=O)[O-])cc2Cl)nnc1C1CC[NH2+]CC1 ZINC000265513740 566238482 /nfs/dbraw/zinc/23/84/82/566238482.db2.gz QASCJUVIAOUCCB-UHFFFAOYSA-N 1 0 382.877 3.434 20 5 GGBDRO O=[N+]([O-])c1cc(Br)ccc1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000265548416 566238761 /nfs/dbraw/zinc/23/87/61/566238761.db2.gz YGKHWQLKWUHCRB-LBPRGKRZSA-N 1 0 384.274 3.270 20 5 GGBDRO O=[N+]([O-])c1cc(Br)ccc1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000265548413 566239010 /nfs/dbraw/zinc/23/90/10/566239010.db2.gz YGKHWQLKWUHCRB-GFCCVEGCSA-N 1 0 384.274 3.270 20 5 GGBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000183158969 566239740 /nfs/dbraw/zinc/23/97/40/566239740.db2.gz BDOJAFRRZWKKPJ-OCCSQVGLSA-N 1 0 383.901 3.283 20 5 GGBDRO COC[C@H](CCO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000265808895 566241813 /nfs/dbraw/zinc/24/18/13/566241813.db2.gz VKEFBZRACJPHAB-NSHDSACASA-N 1 0 399.241 3.104 20 5 GGBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000183528976 566248476 /nfs/dbraw/zinc/24/84/76/566248476.db2.gz ONJHAWZLBBKTMA-CYBMUJFWSA-N 1 0 385.917 3.434 20 5 GGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](Sc3ccc(Br)cc3)C2)n1 ZINC000599526490 566271503 /nfs/dbraw/zinc/27/15/03/566271503.db2.gz MZKJAFGATPQLFM-AWEZNQCLSA-N 1 0 397.298 3.420 20 5 GGBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599607025 566280194 /nfs/dbraw/zinc/28/01/94/566280194.db2.gz IUBCRXBJRDWGQG-GFCCVEGCSA-N 1 0 384.274 3.161 20 5 GGBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599620076 566280509 /nfs/dbraw/zinc/28/05/09/566280509.db2.gz ZSWWZDMYHPFSKG-ZDUSSCGKSA-N 1 0 396.285 3.161 20 5 GGBDRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599634944 566280674 /nfs/dbraw/zinc/28/06/74/566280674.db2.gz HCFRHBNJFSSIPA-UHFFFAOYSA-N 1 0 396.285 3.494 20 5 GGBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599709694 566290350 /nfs/dbraw/zinc/29/03/50/566290350.db2.gz VMUFMRDQEPYTSV-CYBMUJFWSA-N 1 0 398.301 3.455 20 5 GGBDRO C[C@@H](CCNC(=O)c1c(Br)cccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000599754033 566293237 /nfs/dbraw/zinc/29/32/37/566293237.db2.gz AYALZBUQRDRBQX-LBPRGKRZSA-N 1 0 384.274 3.352 20 5 GGBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599849690 566299860 /nfs/dbraw/zinc/29/98/60/566299860.db2.gz KVAQFAWPJROLDG-CYBMUJFWSA-N 1 0 384.274 3.208 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCOc1ccc(I)cc1 ZINC000509429834 566303942 /nfs/dbraw/zinc/30/39/42/566303942.db2.gz MUSOAKQOBOPLBE-UHFFFAOYSA-N 1 0 398.200 3.368 20 5 GGBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000600102501 566314270 /nfs/dbraw/zinc/31/42/70/566314270.db2.gz MNOMBMCEIQUCPD-GFCCVEGCSA-N 1 0 396.285 3.494 20 5 GGBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1c(Br)cccc1[N+](=O)[O-] ZINC000600085401 566314410 /nfs/dbraw/zinc/31/44/10/566314410.db2.gz LGNUKNJQMJOGAR-STQMWFEESA-N 1 0 382.258 3.104 20 5 GGBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1c(Br)cccc1[N+](=O)[O-] ZINC000600085400 566314556 /nfs/dbraw/zinc/31/45/56/566314556.db2.gz LGNUKNJQMJOGAR-QWHCGFSZSA-N 1 0 382.258 3.104 20 5 GGBDRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000600118298 566316085 /nfs/dbraw/zinc/31/60/85/566316085.db2.gz XSHSIIKPZGKEQN-UHFFFAOYSA-N 1 0 396.285 3.209 20 5 GGBDRO COC(=O)c1ccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000556597031 566316162 /nfs/dbraw/zinc/31/61/62/566316162.db2.gz UPBABELJYGARGZ-UHFFFAOYSA-N 1 0 393.237 3.476 20 5 GGBDRO Cc1c(Br)cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000509632387 566322187 /nfs/dbraw/zinc/32/21/87/566322187.db2.gz GUDQKLXWKPFPNF-UONOGXRCSA-N 1 0 382.258 3.022 20 5 GGBDRO Cc1c(Br)cc(C(=O)NC[C@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000509677305 566328521 /nfs/dbraw/zinc/32/85/21/566328521.db2.gz FUSQFQNRENBXAK-NSHDSACASA-N 1 0 384.274 3.127 20 5 GGBDRO Cc1c(Br)cc(C(=O)NCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000509687384 566329521 /nfs/dbraw/zinc/32/95/21/566329521.db2.gz XELCSRAZOZXGIV-UHFFFAOYSA-N 1 0 384.274 3.127 20 5 GGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2Cc2ccccc2Br)c1 ZINC000420959354 566330546 /nfs/dbraw/zinc/33/05/46/566330546.db2.gz FHSGRXFGGPARBA-AWEZNQCLSA-N 1 0 379.258 3.261 20 5 GGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000446259207 566338141 /nfs/dbraw/zinc/33/81/41/566338141.db2.gz UILDOIAFCUNPCD-ZDUSSCGKSA-N 1 0 398.301 3.090 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2c(Cl)cccc2Cl)c1 ZINC000556860244 566340000 /nfs/dbraw/zinc/34/00/00/566340000.db2.gz ZDLBCTPZLIRTPY-ZDUSSCGKSA-N 1 0 385.247 3.474 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2CCC[N@@H+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000509851562 566342509 /nfs/dbraw/zinc/34/25/09/566342509.db2.gz ILWNZAOMFCEMIR-UHFFFAOYSA-N 1 0 384.274 3.222 20 5 GGBDRO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cn1 ZINC000482961573 566346221 /nfs/dbraw/zinc/34/62/21/566346221.db2.gz NPYUCXHNRRXYBX-NSHDSACASA-N 1 0 393.241 3.432 20 5 GGBDRO Cc1c(Br)cc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000510479887 566386010 /nfs/dbraw/zinc/38/60/10/566386010.db2.gz QOTRLVWZQSMGDL-CYBMUJFWSA-N 1 0 396.285 3.412 20 5 GGBDRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000510502182 566388203 /nfs/dbraw/zinc/38/82/03/566388203.db2.gz NWGOUQHKRJJBDE-UHFFFAOYSA-N 1 0 389.905 3.135 20 5 GGBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC[N@@H+](C2CCC2)C1 ZINC000557836868 566426436 /nfs/dbraw/zinc/42/64/36/566426436.db2.gz CMQZNKKXYDYBFQ-GFCCVEGCSA-N 1 0 396.285 3.304 20 5 GGBDRO COCCC(C)(C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000577493720 566440194 /nfs/dbraw/zinc/44/01/94/566440194.db2.gz QXQCFZMDSBCTBW-UHFFFAOYSA-N 1 0 378.210 3.104 20 5 GGBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H](C)C1 ZINC000558027659 566442756 /nfs/dbraw/zinc/44/27/56/566442756.db2.gz RPZBPBMUCDZYDT-MKBNYLNASA-N 1 0 396.285 3.160 20 5 GGBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H](C)C1 ZINC000558027658 566442794 /nfs/dbraw/zinc/44/27/94/566442794.db2.gz RPZBPBMUCDZYDT-HWWQOWPSSA-N 1 0 396.285 3.160 20 5 GGBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000558028023 566443404 /nfs/dbraw/zinc/44/34/04/566443404.db2.gz ZQRQVKRHHWVODI-OZVIIMIRSA-N 1 0 396.285 3.160 20 5 GGBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H](C)C1 ZINC000558027661 566443442 /nfs/dbraw/zinc/44/34/42/566443442.db2.gz RPZBPBMUCDZYDT-OZVIIMIRSA-N 1 0 396.285 3.160 20 5 GGBDRO O=C(NCC[NH2+]C1CCCCCC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000602432532 566470300 /nfs/dbraw/zinc/47/03/00/566470300.db2.gz HKDOFZPAOMPTGS-UHFFFAOYSA-N 1 0 384.274 3.400 20 5 GGBDRO Cc1ccc(CC[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)o1 ZINC000577921709 566476375 /nfs/dbraw/zinc/47/63/75/566476375.db2.gz QWJHJBHDXQZJJC-UHFFFAOYSA-N 1 0 386.189 3.433 20 5 GGBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2)cc1Br ZINC000602533066 566476615 /nfs/dbraw/zinc/47/66/15/566476615.db2.gz NLNFKNKMCXVZRA-SSDOTTSWSA-N 1 0 388.209 3.145 20 5 GGBDRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602557269 566477724 /nfs/dbraw/zinc/47/77/24/566477724.db2.gz OEPNOFWSFAUXOA-OLZOCXBDSA-N 1 0 380.388 3.059 20 5 GGBDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602557271 566478316 /nfs/dbraw/zinc/47/83/16/566478316.db2.gz OEPNOFWSFAUXOA-QWHCGFSZSA-N 1 0 380.388 3.059 20 5 GGBDRO CN(CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)CC(F)(F)F ZINC000602548604 566478429 /nfs/dbraw/zinc/47/84/29/566478429.db2.gz NMHLLAFMJTTZGP-UHFFFAOYSA-N 1 0 376.198 3.003 20 5 GGBDRO CNC(=O)c1cccc(CC[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)c1 ZINC000602558326 566478610 /nfs/dbraw/zinc/47/86/10/566478610.db2.gz LDFKNTAZJCXQJB-UHFFFAOYSA-N 1 0 398.282 3.111 20 5 GGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnn2cc(Br)cnc12 ZINC000602649435 566483556 /nfs/dbraw/zinc/48/35/56/566483556.db2.gz HXNLOVNSSPFLCZ-UHFFFAOYSA-N 1 0 390.241 3.075 20 5 GGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCCCn3cc(Br)cn3)nc2c1 ZINC000602647700 566484424 /nfs/dbraw/zinc/48/44/24/566484424.db2.gz KPEZPMTZQGAXGL-UHFFFAOYSA-N 1 0 394.229 3.265 20 5 GGBDRO CS(=O)(=O)CCCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000424176813 566517420 /nfs/dbraw/zinc/51/74/20/566517420.db2.gz YLDKCMKIWSVFTP-UHFFFAOYSA-N 1 0 386.857 3.423 20 5 GGBDRO C[C@H]1CC2(CN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000424241225 566523920 /nfs/dbraw/zinc/52/39/20/566523920.db2.gz PVOIOMSVSRWSBK-LBPRGKRZSA-N 1 0 383.901 3.331 20 5 GGBDRO O=[N+]([O-])c1cc(Br)ccc1NC1CC[NH+](C2CCOCC2)CC1 ZINC000603409201 566525126 /nfs/dbraw/zinc/52/51/26/566525126.db2.gz WFLIMWDHABULDZ-UHFFFAOYSA-N 1 0 384.274 3.413 20 5 GGBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@@H]2CCCSC2)c1 ZINC000578562034 566533329 /nfs/dbraw/zinc/53/33/29/566533329.db2.gz ZUCVBQKKKCOUJS-JTQLQIEISA-N 1 0 392.262 3.432 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2ccc(Cl)cc2Cl)c1 ZINC000603824862 566541061 /nfs/dbraw/zinc/54/10/61/566541061.db2.gz MMYCXBBCXSLWKC-OAHLLOKOSA-N 1 0 385.247 3.474 20 5 GGBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000603864647 566544403 /nfs/dbraw/zinc/54/44/03/566544403.db2.gz GKFAQIIHZVDCBR-QWHCGFSZSA-N 1 0 391.269 3.366 20 5 GGBDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCCCC1 ZINC000604029055 566550230 /nfs/dbraw/zinc/55/02/30/566550230.db2.gz GMLOYGYVKMXPJW-UHFFFAOYSA-N 1 0 389.905 3.181 20 5 GGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCn1cc(Br)ccc1=O ZINC000449380644 566556550 /nfs/dbraw/zinc/55/65/50/566556550.db2.gz WSLNRXZMCVMUQJ-CYBMUJFWSA-N 1 0 394.269 3.130 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000559550896 566556828 /nfs/dbraw/zinc/55/68/28/566556828.db2.gz ZRPQTYKZUILWSY-LLVKDONJSA-N 1 0 386.290 3.372 20 5 GGBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C1 ZINC000559553080 566557703 /nfs/dbraw/zinc/55/77/03/566557703.db2.gz YTPJRBGKCHWEOP-GFCCVEGCSA-N 1 0 384.274 3.127 20 5 GGBDRO COc1cc(C[N@@H+]2CC[C@@H](SC)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000449446195 566561958 /nfs/dbraw/zinc/56/19/58/566561958.db2.gz ORCMTRPPOIJATP-LLVKDONJSA-N 1 0 380.388 3.482 20 5 GGBDRO C[NH+](C)CCc1ccc(CNc2ncc(Br)cc2[N+](=O)[O-])cc1 ZINC000466439552 566576894 /nfs/dbraw/zinc/57/68/94/566576894.db2.gz UDJNYRLDEHUPID-UHFFFAOYSA-N 1 0 379.258 3.469 20 5 GGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)c1 ZINC000449685184 566592709 /nfs/dbraw/zinc/59/27/09/566592709.db2.gz TZGHUKVUGVUOIY-CQSZACIVSA-N 1 0 397.244 3.437 20 5 GGBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCC[C@@H]2CCOC2)c1 ZINC000449691575 566594781 /nfs/dbraw/zinc/59/47/81/566594781.db2.gz XCPZZLGHZXSHBN-LLVKDONJSA-N 1 0 390.221 3.106 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000560113112 566599262 /nfs/dbraw/zinc/59/92/62/566599262.db2.gz BSWCSYBEPYSBSC-UHFFFAOYSA-N 1 0 384.274 3.222 20 5 GGBDRO C[C@@]1(F)C[NH2+]CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000579334510 566599319 /nfs/dbraw/zinc/59/93/19/566599319.db2.gz PMZFEASEWRJOSP-OAHLLOKOSA-N 1 0 383.221 3.043 20 5 GGBDRO Cc1sc(S(=O)(=O)N(CC[NH+](C)C)CC2CCCCC2)cc1[N+](=O)[O-] ZINC000467063735 566623135 /nfs/dbraw/zinc/62/31/35/566623135.db2.gz SJIWNYGQQHMSTD-UHFFFAOYSA-N 1 0 389.543 3.097 20 5 GGBDRO CCOc1ccc([C@@H](C)[NH2+]CCn2cc(Br)cn2)cc1[N+](=O)[O-] ZINC000560580288 566639169 /nfs/dbraw/zinc/63/91/69/566639169.db2.gz DCEVQZMKRFFOOX-LLVKDONJSA-N 1 0 383.246 3.303 20 5 GGBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425412762 566640027 /nfs/dbraw/zinc/64/00/27/566640027.db2.gz ALURKYGMAYTBGH-VYDXJSESSA-N 1 0 398.301 3.041 20 5 GGBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425412759 566640067 /nfs/dbraw/zinc/64/00/67/566640067.db2.gz ALURKYGMAYTBGH-INMHGKMJSA-N 1 0 398.301 3.041 20 5 GGBDRO CC(=O)NC1CCC([N@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425456985 566645270 /nfs/dbraw/zinc/64/52/70/566645270.db2.gz KEUVKHIKGFITMQ-UHFFFAOYSA-N 1 0 384.274 3.236 20 5 GGBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc(Br)cc3[N+](=O)[O-])[C@H]2C1 ZINC000425455749 566645695 /nfs/dbraw/zinc/64/56/95/566645695.db2.gz GYDUNYCWTNHGEL-BPUTZDHNSA-N 1 0 396.285 3.094 20 5 GGBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000540470658 566651594 /nfs/dbraw/zinc/65/15/94/566651594.db2.gz NSOHNKBWRCLWMW-QGZVFWFLSA-N 1 0 383.539 3.262 20 5 GGBDRO Cc1c(Br)cc(C(=O)N(C)CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000467668025 566657904 /nfs/dbraw/zinc/65/79/04/566657904.db2.gz VXAUFPZBYCOJMR-UHFFFAOYSA-N 1 0 384.274 3.224 20 5 GGBDRO CC(C)[NH+](CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000467801793 566669482 /nfs/dbraw/zinc/66/94/82/566669482.db2.gz WSDOVAHASXSMKV-UHFFFAOYSA-N 1 0 377.894 3.035 20 5 GGBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000561202361 566684716 /nfs/dbraw/zinc/68/47/16/566684716.db2.gz YRFLOIGFRMZCJA-UHFFFAOYSA-N 1 0 390.303 3.367 20 5 GGBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCc3ccc(Cl)cc32)cc1 ZINC000580484677 566696682 /nfs/dbraw/zinc/69/66/82/566696682.db2.gz XPLQHANPCSOMQN-QGZVFWFLSA-N 1 0 380.853 3.299 20 5 GGBDRO CN(CCC[N@H+](C)Cc1ccco1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000561436333 566705005 /nfs/dbraw/zinc/70/50/05/566705005.db2.gz BPHZFFAPHGRBGS-UHFFFAOYSA-N 1 0 383.246 3.304 20 5 GGBDRO CC[NH+]1CCN(CC(C)(C)Nc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000450924184 566722530 /nfs/dbraw/zinc/72/25/30/566722530.db2.gz SYRNRXUEGVRWOP-UHFFFAOYSA-N 1 0 385.306 3.185 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2cc(Cl)sc2Cl)c1 ZINC000515831903 566735806 /nfs/dbraw/zinc/73/58/06/566735806.db2.gz BBADMXIYAWVVHJ-LLVKDONJSA-N 1 0 377.249 3.493 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2cc(Cl)sc2Cl)c1 ZINC000515831904 566736377 /nfs/dbraw/zinc/73/63/77/566736377.db2.gz BBADMXIYAWVVHJ-NSHDSACASA-N 1 0 377.249 3.493 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3COCCO3)o2)c(Br)c1 ZINC000608835969 566737850 /nfs/dbraw/zinc/73/78/50/566737850.db2.gz ALKCNIVABKHUGX-CYBMUJFWSA-N 1 0 397.225 3.122 20 5 GGBDRO Cc1c(Br)c(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000488718523 566742602 /nfs/dbraw/zinc/74/26/02/566742602.db2.gz UYJUGJYTSOSWQE-NQBHXWOUSA-N 1 0 383.290 3.227 20 5 GGBDRO Cc1c(Br)c(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000488718521 566743263 /nfs/dbraw/zinc/74/32/63/566743263.db2.gz UYJUGJYTSOSWQE-DMDPSCGWSA-N 1 0 383.290 3.227 20 5 GGBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cc3ccccc3s2)cc1 ZINC000541760026 566746163 /nfs/dbraw/zinc/74/61/63/566746163.db2.gz DJXGGUOVWVEGCC-UHFFFAOYSA-N 1 0 376.459 3.373 20 5 GGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCOc3ccc(Br)cc3)CC2)n1 ZINC000488787066 566748105 /nfs/dbraw/zinc/74/81/05/566748105.db2.gz UXMINDKHCXBWCX-UHFFFAOYSA-N 1 0 395.257 3.270 20 5 GGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCOc3cccc(Br)c3)CC2)n1 ZINC000488969180 566760395 /nfs/dbraw/zinc/76/03/95/566760395.db2.gz DHLTUHYRKAXCQT-UHFFFAOYSA-N 1 0 395.257 3.270 20 5 GGBDRO C[NH+](C)[C@H]1CCCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000609508472 566768261 /nfs/dbraw/zinc/76/82/61/566768261.db2.gz YSHXKSRJZSIEEZ-LBPRGKRZSA-N 1 0 379.258 3.436 20 5 GGBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCCCC[NH+]2CCCCC2)c(Cl)c1 ZINC000609543073 566770604 /nfs/dbraw/zinc/77/06/04/566770604.db2.gz GUUXPWFMQLYAEI-UHFFFAOYSA-N 1 0 389.905 3.183 20 5 GGBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)[N@@H+]1CCCC[C@H]1C ZINC000610040520 566800532 /nfs/dbraw/zinc/80/05/32/566800532.db2.gz ZAEVKFOTNGTSGQ-NEPJUHHUSA-N 1 0 384.274 3.350 20 5 GGBDRO CO[C@@H](C)C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000610134148 566808862 /nfs/dbraw/zinc/80/88/62/566808862.db2.gz OEMGTOPPZVQIIS-NSHDSACASA-N 1 0 388.262 3.041 20 5 GGBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000542696737 566818284 /nfs/dbraw/zinc/81/82/84/566818284.db2.gz ZSZHHLQNKRWGAR-UHFFFAOYSA-N 1 0 389.260 3.465 20 5 GGBDRO O=[N+]([O-])c1ccc(NCC2([NH+]3CCCC3)CCOCC2)c(Br)c1 ZINC000610278995 566822574 /nfs/dbraw/zinc/82/25/74/566822574.db2.gz UYQBWPUWOKYMMB-UHFFFAOYSA-N 1 0 384.274 3.414 20 5 GGBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H](CCO)c1ccccc1Br ZINC000542881576 566834597 /nfs/dbraw/zinc/83/45/97/566834597.db2.gz JUTWREPBFZOILY-HNNXBMFYSA-N 1 0 395.253 3.449 20 5 GGBDRO O=[N+]([O-])c1cc(Br)ccc1N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000610489197 566837196 /nfs/dbraw/zinc/83/71/96/566837196.db2.gz LWEFVNPUCAYSNH-AWEZNQCLSA-N 1 0 384.274 3.048 20 5 GGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451569106 566842294 /nfs/dbraw/zinc/84/22/94/566842294.db2.gz NQNCNJZFGMVFPD-CQSZACIVSA-N 1 0 392.253 3.009 20 5 GGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)cc1 ZINC000428535874 566852509 /nfs/dbraw/zinc/85/25/09/566852509.db2.gz KLIFCIGPWSOLHL-HNNXBMFYSA-N 1 0 379.254 3.298 20 5 GGBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000470172515 566854461 /nfs/dbraw/zinc/85/44/61/566854461.db2.gz XYGOOZVDXJHSLJ-AWEZNQCLSA-N 1 0 382.258 3.104 20 5 GGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](CO)Cc2ccccc2Br)cs1 ZINC000428536765 566854954 /nfs/dbraw/zinc/85/49/54/566854954.db2.gz JXYRBXIHIFSVQC-NSHDSACASA-N 1 0 385.283 3.360 20 5 GGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)Cc2ccccc2Br)c(F)c1 ZINC000428545580 566856096 /nfs/dbraw/zinc/85/60/96/566856096.db2.gz LWGYKGJZGSMZLI-LBPRGKRZSA-N 1 0 397.244 3.437 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000428544167 566856706 /nfs/dbraw/zinc/85/67/06/566856706.db2.gz TYZXOOVZOLGMFM-AWEZNQCLSA-N 1 0 379.254 3.298 20 5 GGBDRO CC1(C)CCC[N@H+](CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000470303277 566861704 /nfs/dbraw/zinc/86/17/04/566861704.db2.gz MMWTXMKNHHNQDX-UHFFFAOYSA-N 1 0 384.274 3.209 20 5 GGBDRO CC1(C)CCC[N@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000470306129 566862181 /nfs/dbraw/zinc/86/21/81/566862181.db2.gz DVJPXOCKFCXYBN-UHFFFAOYSA-N 1 0 398.301 3.138 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCCCS3(=O)=O)s2)cc1 ZINC000543241041 566865326 /nfs/dbraw/zinc/86/53/26/566865326.db2.gz YXARTUADRJUQNR-INIZCTEOSA-N 1 0 380.491 3.380 20 5 GGBDRO C[C@H](CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000543381181 566874968 /nfs/dbraw/zinc/87/49/68/566874968.db2.gz FMMRAANQXYGUNE-GFCCVEGCSA-N 1 0 384.274 3.352 20 5 GGBDRO CO[C@@H](C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C(C)(C)C ZINC000582634606 566880257 /nfs/dbraw/zinc/88/02/57/566880257.db2.gz BONKPSXWPGKSKT-ZDUSSCGKSA-N 1 0 392.237 3.350 20 5 GGBDRO Cc1c(Br)cc(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000611072663 566886090 /nfs/dbraw/zinc/88/60/90/566886090.db2.gz GCYAKLDJAVGCJF-NSHDSACASA-N 1 0 384.274 3.126 20 5 GGBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000428867980 566886391 /nfs/dbraw/zinc/88/63/91/566886391.db2.gz RPWPRQMLJYCPFB-LLVKDONJSA-N 1 0 396.296 3.006 20 5 GGBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000611076240 566886932 /nfs/dbraw/zinc/88/69/32/566886932.db2.gz YAYNFLZBCIXIMA-CYBMUJFWSA-N 1 0 384.274 3.270 20 5 GGBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H](CCO)c2ccccc2Br)c1 ZINC000543806977 566912740 /nfs/dbraw/zinc/91/27/40/566912740.db2.gz GYZSZBUXHQEYSE-QGZVFWFLSA-N 1 0 395.253 3.449 20 5 GGBDRO CC[N@H+](CCNc1ncc(Br)cc1[N+](=O)[O-])CCC(F)(F)F ZINC000491832376 566917680 /nfs/dbraw/zinc/91/76/80/566917680.db2.gz PYZCTFITNLLQGL-UHFFFAOYSA-N 1 0 385.184 3.439 20 5 GGBDRO CC1(C)Cc2ccc(Br)cc2[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000429287972 566919906 /nfs/dbraw/zinc/91/99/06/566919906.db2.gz VMEDWSYPNMKOQJ-HNNXBMFYSA-N 1 0 379.258 3.467 20 5 GGBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000563916288 566928254 /nfs/dbraw/zinc/92/82/54/566928254.db2.gz LWTHNHKUEQFRQG-AWEZNQCLSA-N 1 0 384.274 3.304 20 5 GGBDRO COc1ccc([C@H](C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])cc1Br ZINC000611621489 566931537 /nfs/dbraw/zinc/93/15/37/566931537.db2.gz BWSIBUSPGTXALJ-JTQLQIEISA-N 1 0 383.246 3.222 20 5 GGBDRO C[C@H](O)CC(C)(C)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000564131366 566948405 /nfs/dbraw/zinc/94/84/05/566948405.db2.gz FISDCFVORYNKJS-JTQLQIEISA-N 1 0 392.237 3.086 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)CC(C)C ZINC000583613407 566968763 /nfs/dbraw/zinc/96/87/63/566968763.db2.gz ZAUSCKBAYGPYCS-UHFFFAOYSA-N 1 0 386.290 3.326 20 5 GGBDRO C[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000429954388 566969151 /nfs/dbraw/zinc/96/91/51/566969151.db2.gz VJPQURYZHWQXDP-RYUDHWBXSA-N 1 0 384.274 3.350 20 5 GGBDRO C[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000429954389 566969888 /nfs/dbraw/zinc/96/98/88/566969888.db2.gz VJPQURYZHWQXDP-VXGBXAGGSA-N 1 0 384.274 3.350 20 5 GGBDRO CC(C)(C)C[C@@H](CO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000564410509 566974653 /nfs/dbraw/zinc/97/46/53/566974653.db2.gz QAYJGEGCDDVPBG-LBPRGKRZSA-N 1 0 392.237 3.086 20 5 GGBDRO Cc1c(Br)c(=O)n(CC[N@@H+](C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000612999292 567009187 /nfs/dbraw/zinc/00/91/87/567009187.db2.gz QSESFJIYDSBMMN-UHFFFAOYSA-N 1 0 398.232 3.099 20 5 GGBDRO CC(C)CCSc1ccc(C(=O)N[C@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000520580715 567014229 /nfs/dbraw/zinc/01/42/29/567014229.db2.gz IWGKWYLMIZYTNQ-GFCCVEGCSA-N 1 0 375.441 3.445 20 5 GGBDRO C[NH+](C)Cc1ccnc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000430637310 567025427 /nfs/dbraw/zinc/02/54/27/567025427.db2.gz CJYBOCNBKSHCJW-UHFFFAOYSA-N 1 0 379.214 3.066 20 5 GGBDRO Cc1cccnc1CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000584343840 567035236 /nfs/dbraw/zinc/03/52/36/567035236.db2.gz OSYHTNKNRIRFPT-UHFFFAOYSA-N 1 0 383.189 3.193 20 5 GGBDRO Cc1c([C@@H](C)[NH2+]CCn2cc(Br)ccc2=O)cccc1[N+](=O)[O-] ZINC000453255261 567069070 /nfs/dbraw/zinc/06/90/70/567069070.db2.gz RPCMPEZMLHURKE-GFCCVEGCSA-N 1 0 380.242 3.178 20 5 GGBDRO CC(C)(C)[C@@H](CCO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000584807801 567072210 /nfs/dbraw/zinc/07/22/10/567072210.db2.gz PEMKEXDRRPWXAT-CYBMUJFWSA-N 1 0 392.237 3.086 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000585697160 567078946 /nfs/dbraw/zinc/07/89/46/567078946.db2.gz ROPXTUJTULKUAT-UHFFFAOYSA-N 1 0 396.285 3.270 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccsc1 ZINC000431503995 567085882 /nfs/dbraw/zinc/08/58/82/567085882.db2.gz DCXDRKKMVIMADP-AWEZNQCLSA-N 1 0 398.282 3.452 20 5 GGBDRO Cc1cc(N2CCC(OCC[NH+](C)C)CC2)c(Br)cc1[N+](=O)[O-] ZINC000473516430 567086165 /nfs/dbraw/zinc/08/61/65/567086165.db2.gz BQBZGXOFWQSRSP-UHFFFAOYSA-N 1 0 386.290 3.213 20 5 GGBDRO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431507082 567086525 /nfs/dbraw/zinc/08/65/25/567086525.db2.gz RDQVTKSHPRKCER-HNNXBMFYSA-N 1 0 396.285 3.352 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431502853 567086635 /nfs/dbraw/zinc/08/66/35/567086635.db2.gz SLOWSKQIEVNGDT-GFCCVEGCSA-N 1 0 384.274 3.352 20 5 GGBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCc3c2cccc3Cl)cc1 ZINC000565677862 567090036 /nfs/dbraw/zinc/09/00/36/567090036.db2.gz KZBRIVFXUWVRJH-KRWDZBQOSA-N 1 0 380.853 3.299 20 5 GGBDRO C[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000431768419 567107181 /nfs/dbraw/zinc/10/71/81/567107181.db2.gz KNCCJHPTEANMRV-NEPJUHHUSA-N 1 0 384.274 3.208 20 5 GGBDRO C[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000431776351 567107746 /nfs/dbraw/zinc/10/77/46/567107746.db2.gz PACXRZNJXSVFSW-GFCCVEGCSA-N 1 0 384.274 3.209 20 5 GGBDRO C[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000431768421 567107826 /nfs/dbraw/zinc/10/78/26/567107826.db2.gz KNCCJHPTEANMRV-RYUDHWBXSA-N 1 0 384.274 3.208 20 5 GGBDRO C[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000431806937 567109051 /nfs/dbraw/zinc/10/90/51/567109051.db2.gz DQKYTXKTDCVYPS-GFCCVEGCSA-N 1 0 384.274 3.208 20 5 GGBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCC(F)(F)CC1 ZINC000474055454 567129475 /nfs/dbraw/zinc/12/94/75/567129475.db2.gz PGVHUNJTGTXSLQ-LBPRGKRZSA-N 1 0 376.425 3.172 20 5 GGBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CC=C(c3cccc(Br)c3)CC2)n1 ZINC000546589514 567141347 /nfs/dbraw/zinc/14/13/47/567141347.db2.gz XMWGHZRZNADTHZ-UHFFFAOYSA-N 1 0 377.242 3.343 20 5 GGBDRO CC[NH+](CC)CCO[C@H]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000474167922 567143344 /nfs/dbraw/zinc/14/33/44/567143344.db2.gz HDGOFEWITHNXMO-AWEZNQCLSA-N 1 0 386.290 3.294 20 5 GGBDRO CC[NH+]1C[C@@H](C)N(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000588996295 567149667 /nfs/dbraw/zinc/14/96/67/567149667.db2.gz XEESMFBLHQJVPY-GHMZBOCLSA-N 1 0 384.274 3.220 20 5 GGBDRO CC[NH+](CC)CCSCC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498159611 567156629 /nfs/dbraw/zinc/15/66/29/567156629.db2.gz QONGASFHFBZGHS-KRWDZBQOSA-N 1 0 383.539 3.244 20 5 GGBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000523531587 567160948 /nfs/dbraw/zinc/16/09/48/567160948.db2.gz MDARKYQUVMBSCT-UHFFFAOYSA-N 1 0 384.274 3.304 20 5 GGBDRO CCC[C@H](CCO)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000566531855 567165252 /nfs/dbraw/zinc/16/52/52/567165252.db2.gz GJJBWDOKFUHNGF-LLVKDONJSA-N 1 0 392.237 3.088 20 5 GGBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC([NH2+]CC2CC2)CC1 ZINC000566620891 567173408 /nfs/dbraw/zinc/17/34/08/567173408.db2.gz FTRMRECOVWABGI-UHFFFAOYSA-N 1 0 383.901 3.331 20 5 GGBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@@H]2CCCS2)c1 ZINC000589314789 567175125 /nfs/dbraw/zinc/17/51/25/567175125.db2.gz VJQHKMYEXXEAEO-LBPRGKRZSA-N 1 0 378.235 3.185 20 5 GGBDRO C[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000589316930 567175524 /nfs/dbraw/zinc/17/55/24/567175524.db2.gz XSGVPKICHLZQGG-IINYFYTJSA-N 1 0 390.221 3.247 20 5 GGBDRO C[C@H](C[C@H]1CCOC1)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589314597 567175683 /nfs/dbraw/zinc/17/56/83/567175683.db2.gz FJLVATFDOICVLH-GHMZBOCLSA-N 1 0 390.221 3.104 20 5 GGBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CCCCC1 ZINC000524144171 567184104 /nfs/dbraw/zinc/18/41/04/567184104.db2.gz LRSNOVZRPGANTM-UHFFFAOYSA-N 1 0 384.274 3.352 20 5 GGBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000498550688 567185964 /nfs/dbraw/zinc/18/59/64/567185964.db2.gz QSUOGXCFBJJIRI-WDEREUQCSA-N 1 0 384.274 3.220 20 5 GGBDRO C[NH+](C)CCOc1ccccc1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000474785352 567199176 /nfs/dbraw/zinc/19/91/76/567199176.db2.gz YHOZDEKHWLXMGA-UHFFFAOYSA-N 1 0 395.257 3.305 20 5 GGBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)c(Br)c1 ZINC000590194008 567213714 /nfs/dbraw/zinc/21/37/14/567213714.db2.gz XDQKBMKTOIVWQV-SNVBAGLBSA-N 1 0 384.205 3.009 20 5 GGBDRO Cc1cc(NC2CC[NH+]([C@H]3CCOC3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000616062143 567223731 /nfs/dbraw/zinc/22/37/31/567223731.db2.gz GZSJFGRQCLWVET-ZDUSSCGKSA-N 1 0 384.274 3.331 20 5 GGBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000590536882 567230658 /nfs/dbraw/zinc/23/06/58/567230658.db2.gz CMTMBWAIPWVGHX-GFCCVEGCSA-N 1 0 384.274 3.222 20 5 GGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](CCO)c2ccccc2Br)cc1 ZINC000567303609 567234628 /nfs/dbraw/zinc/23/46/28/567234628.db2.gz ZHTJOKJJWHLHDO-QGZVFWFLSA-N 1 0 395.253 3.449 20 5 GGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000525396702 567246846 /nfs/dbraw/zinc/24/68/46/567246846.db2.gz XHYPZTBAACORCF-RYUDHWBXSA-N 1 0 384.274 3.302 20 5 GGBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000548116280 567281849 /nfs/dbraw/zinc/28/18/49/567281849.db2.gz OQMGGDYQESRMTM-UHFFFAOYSA-N 1 0 389.283 3.256 20 5 GGBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000591439949 567283562 /nfs/dbraw/zinc/28/35/62/567283562.db2.gz HGPWWQZBQKRFCZ-QWRGUYRKSA-N 1 0 383.221 3.042 20 5 GGBDRO Cc1cc(Br)ccc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591735047 567293620 /nfs/dbraw/zinc/29/36/20/567293620.db2.gz XQKKGJFSICYNDN-HNNXBMFYSA-N 1 0 395.253 3.195 20 5 GGBDRO Cc1cc(Br)ccc1NC(=O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000500091982 567298811 /nfs/dbraw/zinc/29/88/11/567298811.db2.gz NAQOWQKOCJKPFI-UHFFFAOYSA-N 1 0 378.226 3.394 20 5 GGBDRO O=[N+]([O-])c1cc(Br)ccc1CN1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000591840791 567300025 /nfs/dbraw/zinc/30/00/25/567300025.db2.gz PZRIWPPTYNKAGS-MRXNPFEDSA-N 1 0 398.301 3.044 20 5 GGBDRO CC(C)[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000591845592 567302515 /nfs/dbraw/zinc/30/25/15/567302515.db2.gz QJRUSUFFVUMKBN-HNNXBMFYSA-N 1 0 384.274 3.094 20 5 GGBDRO CSc1ccc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000500247885 567309495 /nfs/dbraw/zinc/30/94/95/567309495.db2.gz ZQSUSWWUEKBPTR-ZDUSSCGKSA-N 1 0 380.491 3.441 20 5 GGBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000476393404 567320047 /nfs/dbraw/zinc/32/00/47/567320047.db2.gz YZSRIZIJMCOQEQ-LBPRGKRZSA-N 1 0 384.274 3.352 20 5 GGBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592254580 567325154 /nfs/dbraw/zinc/32/51/54/567325154.db2.gz HLJGZOCOGNGZTB-QWHCGFSZSA-N 1 0 396.285 3.209 20 5 GGBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592254581 567325267 /nfs/dbraw/zinc/32/52/67/567325267.db2.gz HLJGZOCOGNGZTB-STQMWFEESA-N 1 0 396.285 3.209 20 5 GGBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000592343053 567330487 /nfs/dbraw/zinc/33/04/87/567330487.db2.gz GYBIQTHHRWDBEA-HNNXBMFYSA-N 1 0 396.285 3.208 20 5 GGBDRO C[C@@H]1SCC[C@@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000592379976 567334255 /nfs/dbraw/zinc/33/42/55/567334255.db2.gz GBWJDLFSMFDKNZ-UFBFGSQYSA-N 1 0 378.235 3.183 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000568676737 567347823 /nfs/dbraw/zinc/34/78/23/567347823.db2.gz OEDREANBTAAZQY-IUODEOHRSA-N 1 0 396.285 3.365 20 5 GGBDRO Cc1c(NC(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435326248 567356511 /nfs/dbraw/zinc/35/65/11/567356511.db2.gz CEHFQVFDMCUOCO-PWSUYJOCSA-N 1 0 385.262 3.270 20 5 GGBDRO C[NH2+][C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000435391434 567359739 /nfs/dbraw/zinc/35/97/39/567359739.db2.gz SKOFFLOQJJIKBE-NSHDSACASA-N 1 0 380.242 3.411 20 5 GGBDRO C[NH2+][C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000435391431 567359945 /nfs/dbraw/zinc/35/99/45/567359945.db2.gz SKOFFLOQJJIKBE-LLVKDONJSA-N 1 0 380.242 3.411 20 5 GGBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CC1 ZINC000456519112 567387976 /nfs/dbraw/zinc/38/79/76/567387976.db2.gz IIPGRNRZPUNVNX-LLVKDONJSA-N 1 0 384.274 3.222 20 5 GGBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C2Cc3ccccc3C2)c1 ZINC000569533716 567410803 /nfs/dbraw/zinc/41/08/03/567410803.db2.gz PWTHUUXAVWKJSS-UHFFFAOYSA-N 1 0 394.212 3.456 20 5 GGBDRO CC(C)[NH+]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC000502106528 567420095 /nfs/dbraw/zinc/42/00/95/567420095.db2.gz CJJCXLLSGQRZKU-UHFFFAOYSA-N 1 0 379.258 3.436 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000550284471 567438361 /nfs/dbraw/zinc/43/83/61/567438361.db2.gz RHVMXDHVXSQCPN-RYUDHWBXSA-N 1 0 384.274 3.268 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000550284472 567438538 /nfs/dbraw/zinc/43/85/38/567438538.db2.gz RHVMXDHVXSQCPN-VXGBXAGGSA-N 1 0 384.274 3.268 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000550284469 567438566 /nfs/dbraw/zinc/43/85/66/567438566.db2.gz RHVMXDHVXSQCPN-NEPJUHHUSA-N 1 0 384.274 3.268 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000550284470 567439043 /nfs/dbraw/zinc/43/90/43/567439043.db2.gz RHVMXDHVXSQCPN-NWDGAFQWSA-N 1 0 384.274 3.268 20 5 GGBDRO C[NH+](C)CC(C)(C)NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000457229878 567450155 /nfs/dbraw/zinc/45/01/55/567450155.db2.gz ZTGTUTKLPGUNNW-UHFFFAOYSA-N 1 0 379.404 3.162 20 5 GGBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1Br ZINC000594195749 567464387 /nfs/dbraw/zinc/46/43/87/567464387.db2.gz ISTVZVQQRCFKDQ-GJZGRUSLSA-N 1 0 382.258 3.104 20 5 GGBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594196665 567464920 /nfs/dbraw/zinc/46/49/20/567464920.db2.gz LJZOOVOYOFYKMX-UONOGXRCSA-N 1 0 383.901 3.473 20 5 GGBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1Br ZINC000594195751 567465010 /nfs/dbraw/zinc/46/50/10/567465010.db2.gz ISTVZVQQRCFKDQ-LSDHHAIUSA-N 1 0 382.258 3.104 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594199437 567465276 /nfs/dbraw/zinc/46/52/76/567465276.db2.gz ZKSKLDRTZMLXRT-CVEARBPZSA-N 1 0 396.285 3.033 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594198079 567465326 /nfs/dbraw/zinc/46/53/26/567465326.db2.gz RITLCQDSGSSYAW-HOTGVXAUSA-N 1 0 396.285 3.412 20 5 GGBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1sc(Br)cc1[N+](=O)[O-] ZINC000594195783 567465518 /nfs/dbraw/zinc/46/55/18/567465518.db2.gz JEHQNAHIHQTDME-UWVGGRQHSA-N 1 0 388.287 3.166 20 5 GGBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(Br)cc1[N+](=O)[O-] ZINC000594196076 567465579 /nfs/dbraw/zinc/46/55/79/567465579.db2.gz KPGRPXRUPKUQDF-ZIAGYGMSSA-N 1 0 382.258 3.104 20 5 GGBDRO Cc1cc(N2CCC[C@H]([NH+]3CCOCC3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000570293487 567473745 /nfs/dbraw/zinc/47/37/45/567473745.db2.gz LZMMCZTXORQYQM-AWEZNQCLSA-N 1 0 398.301 3.357 20 5 GGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cn3ccc(Br)cc3n2)cc1 ZINC000570323377 567476493 /nfs/dbraw/zinc/47/64/93/567476493.db2.gz MCQHNKUCNGABBF-UHFFFAOYSA-N 1 0 391.225 3.174 20 5 GGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000570526560 567492155 /nfs/dbraw/zinc/49/21/55/567492155.db2.gz ALUIUSCOFIZIMV-INIZCTEOSA-N 1 0 380.853 3.299 20 5 GGBDRO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H]1CCC[NH3+] ZINC000595258112 567551289 /nfs/dbraw/zinc/55/12/89/567551289.db2.gz JRJBALBXUZJSQY-IAQYHMDHSA-N 1 0 384.274 3.337 20 5 GGBDRO C[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H]1CCC[NH3+] ZINC000595257892 567551876 /nfs/dbraw/zinc/55/18/76/567551876.db2.gz BSAYBNUWSJZPBK-BXUZGUMPSA-N 1 0 384.274 3.337 20 5 GGBDRO CO[C@H]1C[C@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1(C)C ZINC000571452153 567563598 /nfs/dbraw/zinc/56/35/98/567563598.db2.gz OJSIRCHMJGAZSY-STQMWFEESA-N 1 0 390.221 3.103 20 5 GGBDRO CO[C@H]1C[C@@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1(C)C ZINC000571452151 567563629 /nfs/dbraw/zinc/56/36/29/567563629.db2.gz OJSIRCHMJGAZSY-OLZOCXBDSA-N 1 0 390.221 3.103 20 5 GGBDRO O=[N+]([O-])c1cc(Br)ccc1CN1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000595471709 567566077 /nfs/dbraw/zinc/56/60/77/567566077.db2.gz DHSXARMFVYRNPY-INIZCTEOSA-N 1 0 398.301 3.044 20 5 GGBDRO CC[C@H](C)[NH2+][C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccco1 ZINC000571708577 567584035 /nfs/dbraw/zinc/58/40/35/567584035.db2.gz JJPGAGHNIABNIO-QWRGUYRKSA-N 1 0 387.483 3.194 20 5 GGBDRO CC(C)[C@H](CNc1c(Br)cccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000596069645 567607268 /nfs/dbraw/zinc/60/72/68/567607268.db2.gz HQTCCERRAQEHLQ-HNNXBMFYSA-N 1 0 385.306 3.041 20 5 GGBDRO CCCN(CC[NH+]1CCCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000553056520 567622930 /nfs/dbraw/zinc/62/29/30/567622930.db2.gz KFZSBGCLIPTMGC-UHFFFAOYSA-N 1 0 398.301 3.234 20 5 GGBDRO Cc1c(Cl)cc(S(=O)(=O)NCc2ccc([C@@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000440410361 567626966 /nfs/dbraw/zinc/62/69/66/567626966.db2.gz OSVFOOSPEAEBTM-LLVKDONJSA-N 1 0 383.857 3.055 20 5 GGBDRO Cc1c(Br)c(NCC2CC[NH+](CC3CC3)CC2)ncc1[N+](=O)[O-] ZINC000596562715 567640543 /nfs/dbraw/zinc/64/05/43/567640543.db2.gz OPWVVTSQXKRDJD-UHFFFAOYSA-N 1 0 383.290 3.017 20 5 GGBDRO Cc1c(Br)c(NC[C@@H]2CCC[N@H+](CC3CC3)C2)ncc1[N+](=O)[O-] ZINC000596569712 567641374 /nfs/dbraw/zinc/64/13/74/567641374.db2.gz CUJDUVDCCPFXGI-ZDUSSCGKSA-N 1 0 383.290 3.017 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459686507 567650401 /nfs/dbraw/zinc/65/04/01/567650401.db2.gz BUOZBPXICDZQNS-ZDUSSCGKSA-N 1 0 397.244 3.437 20 5 GGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000572631896 567653801 /nfs/dbraw/zinc/65/38/01/567653801.db2.gz LLCQLBDJJLIPOL-AWEZNQCLSA-N 1 0 385.247 3.474 20 5 GGBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000507081866 567658690 /nfs/dbraw/zinc/65/86/90/567658690.db2.gz BVFQJVAIEMMBGA-HOCLYGCPSA-N 1 0 383.539 3.215 20 5 GGBDRO CC[NH+]1CCC(CNc2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC000572748044 567662334 /nfs/dbraw/zinc/66/23/34/567662334.db2.gz VONFKCXXMVCGGE-UHFFFAOYSA-N 1 0 393.285 3.471 20 5 GGBDRO CC(C)(CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000481562397 567688478 /nfs/dbraw/zinc/68/84/78/567688478.db2.gz CLTDSEAIEXJNOC-UHFFFAOYSA-N 1 0 384.274 3.209 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](O)C(F)F)o2)c(Br)c1 ZINC000553855717 567692129 /nfs/dbraw/zinc/69/21/29/567692129.db2.gz XPEFDOVJRORQHF-GFCCVEGCSA-N 1 0 391.168 3.333 20 5 GGBDRO CCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000553914942 567700523 /nfs/dbraw/zinc/70/05/23/567700523.db2.gz ZFDAFSPJFVCBLL-UHFFFAOYSA-N 1 0 389.905 3.135 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC12CCC[NH+]1CCC2 ZINC000597587667 567706705 /nfs/dbraw/zinc/70/67/05/567706705.db2.gz AZSAKQHCAXRQOG-UHFFFAOYSA-N 1 0 382.258 3.024 20 5 GGBDRO Cc1cc(NC(=O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)ccc1Br ZINC000554113334 567709425 /nfs/dbraw/zinc/70/94/25/567709425.db2.gz UDUGEOPQBOKNSS-UHFFFAOYSA-N 1 0 378.226 3.394 20 5 GGBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000554128687 567710979 /nfs/dbraw/zinc/71/09/79/567710979.db2.gz QFZDRTPXSUIFFU-YWPYICTPSA-N 1 0 396.285 3.160 20 5 GGBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000597860487 567721420 /nfs/dbraw/zinc/72/14/20/567721420.db2.gz NBZKEVGUJRGOLY-LLVKDONJSA-N 1 0 384.274 3.208 20 5 GGBDRO CCC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000443085528 567730485 /nfs/dbraw/zinc/73/04/85/567730485.db2.gz LADOKEWMVXIQJS-MRXNPFEDSA-N 1 0 383.495 3.066 20 5 GGBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000598262885 567752638 /nfs/dbraw/zinc/75/26/38/567752638.db2.gz NHDAWBYIRNUYKL-ZDUSSCGKSA-N 1 0 398.301 3.136 20 5 GGBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000533220619 567759322 /nfs/dbraw/zinc/75/93/22/567759322.db2.gz QIGPRYWJRQWWLU-UHFFFAOYSA-N 1 0 384.274 3.304 20 5 GGBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCCOCC2CC2)c1 ZINC000554969510 567759871 /nfs/dbraw/zinc/75/98/71/567759871.db2.gz NHHJSSLLFBOAPC-UHFFFAOYSA-N 1 0 390.221 3.106 20 5 GGBDRO CC[C@@H](C)[N@H+](C)CCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000554969467 567760386 /nfs/dbraw/zinc/76/03/86/567760386.db2.gz MLHUBZUYIHXBHC-LLVKDONJSA-N 1 0 391.253 3.019 20 5 GGBDRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000598558035 567776526 /nfs/dbraw/zinc/77/65/26/567776526.db2.gz BPMBDHJGKHBPKA-ZDUSSCGKSA-N 1 0 396.285 3.209 20 5 GGBDRO CC1(C)CC(NC(=O)c2c(Br)cccc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000598995040 567801862 /nfs/dbraw/zinc/80/18/62/567801862.db2.gz MSPBWVKDGIOJAH-UHFFFAOYSA-N 1 0 384.274 3.396 20 5 GGBDRO O=C(NCCC[NH+]1CCCCCC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000598981885 567801951 /nfs/dbraw/zinc/80/19/51/567801951.db2.gz SAZQQSKLQGXERQ-UHFFFAOYSA-N 1 0 384.274 3.353 20 5 GGBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cc(F)c(Br)cc1F ZINC000599042026 567803752 /nfs/dbraw/zinc/80/37/52/567803752.db2.gz RECVKMUTKGAJSJ-QMMMGPOBSA-N 1 0 375.173 3.183 20 5 GGBDRO C[NH+](C)CCOc1cc(CNc2ccc(Br)cc2[N+](=O)[O-])ccn1 ZINC000534237693 567804184 /nfs/dbraw/zinc/80/41/84/567804184.db2.gz ZYYCUSSTUGHKPQ-UHFFFAOYSA-N 1 0 395.257 3.305 20 5 GGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599076656 567804694 /nfs/dbraw/zinc/80/46/94/567804694.db2.gz DDVQYVKULNDPLS-BETUJISGSA-N 1 0 398.301 3.455 20 5 GGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599076663 567805048 /nfs/dbraw/zinc/80/50/48/567805048.db2.gz DDVQYVKULNDPLS-CHWSQXEVSA-N 1 0 398.301 3.455 20 5 GGBDRO C[C@@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000599123153 567806415 /nfs/dbraw/zinc/80/64/15/567806415.db2.gz ALDMHDNCJQSUFW-LBPRGKRZSA-N 1 0 384.274 3.209 20 5 GGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599147914 567807599 /nfs/dbraw/zinc/80/75/99/567807599.db2.gz SZQZHORJQNZCJC-VXGBXAGGSA-N 1 0 384.274 3.208 20 5 GGBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599152428 567808106 /nfs/dbraw/zinc/80/81/06/567808106.db2.gz FMOSJDLIPWIXGQ-UPJWGTAASA-N 1 0 398.301 3.454 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N(C)C3CC([NH3+])C3)cc2[N+](=O)[O-])n1 ZINC000575058601 567811407 /nfs/dbraw/zinc/81/14/07/567811407.db2.gz JRCMKKCWFKBFBQ-UHFFFAOYSA-N 1 0 378.479 3.073 20 5 GGBDRO Cc1cc(NC(=O)CCNc2ccccc2[N+](=O)[O-])ccc1N1CC[NH+](C)CC1 ZINC000012522438 570828987 /nfs/dbraw/zinc/82/89/87/570828987.db2.gz WZTCYOIZSGIQSY-UHFFFAOYSA-N 1 0 397.479 3.096 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045831985 570997654 /nfs/dbraw/zinc/99/76/54/570997654.db2.gz JVOWIXDDYLORIH-UHFFFAOYSA-N 1 0 375.469 3.332 20 5 GGBDRO C[C@H](c1ccccc1)[NH+]1CCC(Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000736200944 599170898 /nfs/dbraw/zinc/17/08/98/599170898.db2.gz FPRXUODWQKPHHP-CQSZACIVSA-N 1 0 393.451 3.412 20 5 GGBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000823630062 599580896 /nfs/dbraw/zinc/58/08/96/599580896.db2.gz QLWDDCURTRDDAX-GOSISDBHSA-N 1 0 393.451 3.414 20 5 GGBDRO COc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1-c1nn[nH]n1 ZINC000826193871 607488647 /nfs/dbraw/zinc/48/86/47/607488647.db2.gz SUZDPZPWSVNTFZ-UHFFFAOYSA-N 1 0 382.424 3.194 20 5 GGBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccccc1 ZINC000820668578 606199715 /nfs/dbraw/zinc/19/97/15/606199715.db2.gz VANMCHRRSUWSHZ-HOCLYGCPSA-N 1 0 393.451 3.240 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000820760432 606471031 /nfs/dbraw/zinc/47/10/31/606471031.db2.gz QTAKPXHIEVHPSO-KBXCAEBGSA-N 1 0 393.451 3.097 20 5 GGBDRO C[C@H]([NH2+]CCSCc1ccccc1-c1nn[nH]n1)c1ccc([N+](=O)[O-])cc1 ZINC000820427245 607018247 /nfs/dbraw/zinc/01/82/47/607018247.db2.gz QOMCCWQJALNLLG-ZDUSSCGKSA-N 1 0 384.465 3.359 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000826499846 607816531 /nfs/dbraw/zinc/81/65/31/607816531.db2.gz AKRGXFUJSNYZPW-CRAIPNDOSA-N 1 0 378.436 3.276 20 5 GGBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000825632269 608285810 /nfs/dbraw/zinc/28/58/10/608285810.db2.gz NOEGJNLRNXPBLD-LBPRGKRZSA-N 1 0 398.423 3.033 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])cc1 ZINC000824937308 608402546 /nfs/dbraw/zinc/40/25/46/608402546.db2.gz PIYUUSRILHSLIA-ZDUSSCGKSA-N 1 0 394.439 3.288 20 5 GGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000824332930 608485778 /nfs/dbraw/zinc/48/57/78/608485778.db2.gz AYHDWRAIKZEUSH-CYBMUJFWSA-N 1 0 382.424 3.413 20 5 GGBDRO C[C@@H]([NH2+]CCSCc1ccccc1-c1nn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000824604726 609169905 /nfs/dbraw/zinc/16/99/05/609169905.db2.gz DJWHEVSTSCGCQX-CYBMUJFWSA-N 1 0 384.465 3.359 20 5 GGBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1F ZINC000824607000 609348345 /nfs/dbraw/zinc/34/83/45/609348345.db2.gz UYOVFXKHRXCRFN-JTQLQIEISA-N 1 0 390.806 3.461 20 5 GGBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000052954615 1406240613 /nfs/dbraw/zinc/24/06/13/1406240613.db2.gz BWUYRSDVCAURTI-DOTOQJQBSA-N 1 0 397.479 3.377 20 5 GGBDRO Cn1cc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000052958246 1406242650 /nfs/dbraw/zinc/24/26/50/1406242650.db2.gz BZJLWQUYCJSASJ-INIZCTEOSA-N 1 0 399.476 3.090 20 5 GGBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000053370963 1406380046 /nfs/dbraw/zinc/38/00/46/1406380046.db2.gz FABZLMFLBNAASY-INIZCTEOSA-N 1 0 385.468 3.022 20 5 GGBDRO Cn1cc(C(=O)Nc2cccc(C[NH+](C)C)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053477323 1406411173 /nfs/dbraw/zinc/41/11/73/1406411173.db2.gz GDWLPIRGVCMHIY-UHFFFAOYSA-N 1 0 379.420 3.309 20 5 GGBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccsc1 ZINC000053501716 1406416639 /nfs/dbraw/zinc/41/66/39/1406416639.db2.gz GRFXTAHSOIKHEW-OAHLLOKOSA-N 1 0 391.449 3.198 20 5 GGBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000053748526 1406503291 /nfs/dbraw/zinc/50/32/91/1406503291.db2.gz LUOIEJBPHYWONS-UHFFFAOYSA-N 1 0 382.464 3.101 20 5 GGBDRO CC1CC[NH+](CCCCNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000053812374 1406521654 /nfs/dbraw/zinc/52/16/54/1406521654.db2.gz NBCKXDONSUVTKD-UHFFFAOYSA-N 1 0 399.495 3.237 20 5 GGBDRO C[NH+](C)CCOc1ccc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000053992130 1406580451 /nfs/dbraw/zinc/58/04/51/1406580451.db2.gz NLJYGHQDKPTHPL-UHFFFAOYSA-N 1 0 377.828 3.119 20 5 GGBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)c1 ZINC000054032430 1406593818 /nfs/dbraw/zinc/59/38/18/1406593818.db2.gz BDDZABHDDHIYRF-UHFFFAOYSA-N 1 0 399.447 3.153 20 5 GGBDRO C[C@@H]1CCC[C@@](CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)([NH+](C)C)C1 ZINC000054140769 1406628768 /nfs/dbraw/zinc/62/87/68/1406628768.db2.gz SEGCESNBYQIMDR-QVKFZJNVSA-N 1 0 399.495 3.236 20 5 GGBDRO CC[NH+](CC)CCn1c2ccccc2[nH]c1=NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054151558 1406632858 /nfs/dbraw/zinc/63/28/58/1406632858.db2.gz KAXYMGOOQGJVGV-UHFFFAOYSA-N 1 0 399.426 3.100 20 5 GGBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000054224038 1406657249 /nfs/dbraw/zinc/65/72/49/1406657249.db2.gz DQVTZVVKFJRJKS-WMZOPIPTSA-N 1 0 382.464 3.349 20 5 GGBDRO COc1cc(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000054260502 1406668312 /nfs/dbraw/zinc/66/83/12/1406668312.db2.gz CXKGMEIDKLDOOF-ZIAGYGMSSA-N 1 0 393.484 3.098 20 5 GGBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000054286427 1406680357 /nfs/dbraw/zinc/68/03/57/1406680357.db2.gz FYTGHUAZOANICU-OAHLLOKOSA-N 1 0 385.468 3.021 20 5 GGBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000054286428 1406680834 /nfs/dbraw/zinc/68/08/34/1406680834.db2.gz FYTGHUAZOANICU-HNNXBMFYSA-N 1 0 385.468 3.021 20 5 GGBDRO CCOc1cc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000054286730 1406682023 /nfs/dbraw/zinc/68/20/23/1406682023.db2.gz JHMMGFJLNNVJFP-CQSZACIVSA-N 1 0 393.484 3.242 20 5 GGBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054644354 1406794343 /nfs/dbraw/zinc/79/43/43/1406794343.db2.gz ZYSVYGYYJRMFQH-UHFFFAOYSA-N 1 0 388.443 3.050 20 5 GGBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000054646802 1406795193 /nfs/dbraw/zinc/79/51/93/1406795193.db2.gz HLGMHEXLRSOSBL-UHFFFAOYSA-N 1 0 388.512 3.435 20 5 GGBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000054646730 1406795256 /nfs/dbraw/zinc/79/52/56/1406795256.db2.gz IGTPSPAKKIQMMG-IRXDYDNUSA-N 1 0 376.501 3.195 20 5 GGBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000054646454 1406795417 /nfs/dbraw/zinc/79/54/17/1406795417.db2.gz AFZMYNKTSMBMGD-FQEVSTJZSA-N 1 0 382.464 3.274 20 5 GGBDRO O=C(Nc1ccccc1)NC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000055052211 1406879002 /nfs/dbraw/zinc/87/90/02/1406879002.db2.gz WQFQSYPKOCJHRY-UHFFFAOYSA-N 1 0 384.436 3.260 20 5 GGBDRO Cc1ccccc1C[NH+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000008123700 1398806286 /nfs/dbraw/zinc/80/62/86/1398806286.db2.gz PPDCAANSFPGNJM-UHFFFAOYSA-N 1 0 383.448 3.088 20 5 GGBDRO Cc1cccc(C[NH+]2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)c1 ZINC000008131530 1398806591 /nfs/dbraw/zinc/80/65/91/1398806591.db2.gz MPBBCJJEJYVCBO-UHFFFAOYSA-N 1 0 383.448 3.088 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000008367138 1398826858 /nfs/dbraw/zinc/82/68/58/1398826858.db2.gz WRDWOGGQYUUMCX-INIZCTEOSA-N 1 0 399.447 3.006 20 5 GGBDRO CC1CC[NH+]([C@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000010137125 1398877214 /nfs/dbraw/zinc/87/72/14/1398877214.db2.gz VJCJTDZMFKFUGU-QGZVFWFLSA-N 1 0 388.493 3.442 20 5 GGBDRO O=C(C[N@@H+]1CCC[C@H]1c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000010340294 1398887307 /nfs/dbraw/zinc/88/73/07/1398887307.db2.gz ZRJGPZFLZBZUOQ-NRFANRHFSA-N 1 0 394.475 3.081 20 5 GGBDRO COc1ccccc1[C@@H](CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000010448128 1398893365 /nfs/dbraw/zinc/89/33/65/1398893365.db2.gz MRQIKFRITGAJPB-GOSISDBHSA-N 1 0 399.447 3.179 20 5 GGBDRO C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000010450922 1398893458 /nfs/dbraw/zinc/89/34/58/1398893458.db2.gz YPJSXYLPPQSRDB-INIZCTEOSA-N 1 0 383.448 3.143 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccccc1 ZINC000014887643 1399124414 /nfs/dbraw/zinc/12/44/14/1399124414.db2.gz FAAPQQYZLBBGIZ-FQEVSTJZSA-N 1 0 382.464 3.228 20 5 GGBDRO C[NH+](C)Cc1ccc(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000015140270 1399142204 /nfs/dbraw/zinc/14/22/04/1399142204.db2.gz BKNIPEJPESSBLL-UHFFFAOYSA-N 1 0 382.464 3.187 20 5 GGBDRO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000015359526 1399157070 /nfs/dbraw/zinc/15/70/70/1399157070.db2.gz NZGFYVCZEDYVLP-UHFFFAOYSA-N 1 0 391.493 3.224 20 5 GGBDRO COc1ccccc1[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)[NH+]1CCCC1 ZINC000015690903 1399184789 /nfs/dbraw/zinc/18/47/89/1399184789.db2.gz HPNOBWYUOHUZNJ-IBGZPJMESA-N 1 0 383.448 3.479 20 5 GGBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)cc1 ZINC000016779956 1399262400 /nfs/dbraw/zinc/26/24/00/1399262400.db2.gz JCXYBPQQFCBCDI-UHFFFAOYSA-N 1 0 399.447 3.153 20 5 GGBDRO CC(C)[NH+]1CCC(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000017281429 1399277054 /nfs/dbraw/zinc/27/70/54/1399277054.db2.gz QSTUJTIXEDJCLY-UHFFFAOYSA-N 1 0 395.403 3.173 20 5 GGBDRO CNc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000017911404 1399294427 /nfs/dbraw/zinc/29/44/27/1399294427.db2.gz DXMDJQDCQXDXTE-HXUWFJFHSA-N 1 0 398.463 3.212 20 5 GGBDRO CCC[NH+]1CCC(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000018058463 1399298499 /nfs/dbraw/zinc/29/84/99/1399298499.db2.gz PPULWOUODRTZRG-UHFFFAOYSA-N 1 0 395.403 3.175 20 5 GGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1cccc(OC)c1 ZINC000021071073 1399363818 /nfs/dbraw/zinc/36/38/18/1399363818.db2.gz LFQBCDGLPIMNSN-HNNXBMFYSA-N 1 0 377.466 3.478 20 5 GGBDRO CC[NH+]1CCN(c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])c(C)c2)CC1 ZINC000022067921 1399434706 /nfs/dbraw/zinc/43/47/06/1399434706.db2.gz UGWZSKJASXQUDT-UHFFFAOYSA-N 1 0 382.464 3.226 20 5 GGBDRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000023016054 1399525611 /nfs/dbraw/zinc/52/56/11/1399525611.db2.gz TZGGWCBAOURLGV-UHFFFAOYSA-N 1 0 388.855 3.285 20 5 GGBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(NC)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000023172810 1399536850 /nfs/dbraw/zinc/53/68/50/1399536850.db2.gz LCEYLMFXDVUUCF-SFHVURJKSA-N 1 0 384.480 3.319 20 5 GGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000023197260 1399538423 /nfs/dbraw/zinc/53/84/23/1399538423.db2.gz QJXGFXFJLTUDDB-GOSISDBHSA-N 1 0 385.464 3.286 20 5 GGBDRO O=C(NCCC[NH+]1CCCCCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000023236897 1399542792 /nfs/dbraw/zinc/54/27/92/1399542792.db2.gz OFTOXBODIZDFPW-UHFFFAOYSA-N 1 0 388.512 3.194 20 5 GGBDRO CNc1ccc(C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000023712358 1399580921 /nfs/dbraw/zinc/58/09/21/1399580921.db2.gz KEQLSKYMOSVTIU-LJQANCHMSA-N 1 0 398.463 3.212 20 5 GGBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000024801881 1399672767 /nfs/dbraw/zinc/67/27/67/1399672767.db2.gz HQFAWAZIRVLBLH-KRWDZBQOSA-N 1 0 377.488 3.145 20 5 GGBDRO Cc1cccc(N2CC[NH+](CCCNC(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)c1 ZINC000024812949 1399675311 /nfs/dbraw/zinc/67/53/11/1399675311.db2.gz ZKCSJCJTPMHUFQ-UHFFFAOYSA-N 1 0 396.491 3.154 20 5 GGBDRO CC[NH+]1CCN(c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])c(C)c2)CC1 ZINC000025184927 1399763924 /nfs/dbraw/zinc/76/39/24/1399763924.db2.gz ZZWRODVYCOKCDV-UHFFFAOYSA-N 1 0 398.463 3.063 20 5 GGBDRO CCOc1cc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000025330871 1399800530 /nfs/dbraw/zinc/80/05/30/1399800530.db2.gz JDPUBASGQCCEPU-HNNXBMFYSA-N 1 0 393.465 3.096 20 5 GGBDRO COc1ccc(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000025461366 1399810958 /nfs/dbraw/zinc/81/09/58/1399810958.db2.gz DVNHNVWKDPVPGQ-UHFFFAOYSA-N 1 0 383.448 3.170 20 5 GGBDRO CC(C)[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000025535868 1399817817 /nfs/dbraw/zinc/81/78/17/1399817817.db2.gz SGHLOLVHGKWUOF-HXUWFJFHSA-N 1 0 397.475 3.173 20 5 GGBDRO NC(=O)c1ccc(C[NH+]2CCC(CCc3ccc(O)cc3)CC2)c([N+](=O)[O-])c1 ZINC000026114924 1399861055 /nfs/dbraw/zinc/86/10/55/1399861055.db2.gz UPCNJKQVADYYPN-UHFFFAOYSA-N 1 0 383.448 3.244 20 5 GGBDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c(OC)c1 ZINC000026225069 1399871198 /nfs/dbraw/zinc/87/11/98/1399871198.db2.gz GWWIEGYVLCZSEU-UHFFFAOYSA-N 1 0 387.436 3.381 20 5 GGBDRO Cc1ccccc1N1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000026230035 1399871454 /nfs/dbraw/zinc/87/14/54/1399871454.db2.gz WZVWVLHJIALPJB-UHFFFAOYSA-N 1 0 382.464 3.362 20 5 GGBDRO Cc1ccccc1C[NH+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000026249680 1399873195 /nfs/dbraw/zinc/87/31/95/1399873195.db2.gz PBQGYSUZGDMDRD-UHFFFAOYSA-N 1 0 396.491 3.358 20 5 GGBDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1F ZINC000026256726 1399874239 /nfs/dbraw/zinc/87/42/39/1399874239.db2.gz WJXGVVWLFATBOC-UHFFFAOYSA-N 1 0 391.399 3.212 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCOc1ccc(F)cc1 ZINC000026336803 1399879148 /nfs/dbraw/zinc/87/91/48/1399879148.db2.gz FDUVBNCIRGIAGJ-UHFFFAOYSA-N 1 0 391.399 3.082 20 5 GGBDRO Cc1c(NC(=O)CC[NH+]2CCN(Cc3ccsc3)CC2)cccc1[N+](=O)[O-] ZINC000026336633 1399879187 /nfs/dbraw/zinc/87/91/87/1399879187.db2.gz QBXQPFHBZFEXCV-UHFFFAOYSA-N 1 0 388.493 3.111 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCOc1ccccc1F ZINC000026337147 1399879549 /nfs/dbraw/zinc/87/95/49/1399879549.db2.gz JLMOWUCXQLKDPC-UHFFFAOYSA-N 1 0 375.400 3.382 20 5 GGBDRO Cc1cccc(N2CC[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000026338600 1399879683 /nfs/dbraw/zinc/87/96/83/1399879683.db2.gz IXTWDWOQILBACY-UHFFFAOYSA-N 1 0 382.464 3.362 20 5 GGBDRO COc1ccc(NC(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)c([N+](=O)[O-])c1 ZINC000026338594 1399879695 /nfs/dbraw/zinc/87/96/95/1399879695.db2.gz BMFULGUGXFIWDR-UHFFFAOYSA-N 1 0 398.463 3.063 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCOc1ccccc1F ZINC000026337160 1399879723 /nfs/dbraw/zinc/87/97/23/1399879723.db2.gz CKYVNMDMVJBSQO-UHFFFAOYSA-N 1 0 391.399 3.082 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCOc1cccc(C)c1 ZINC000026337269 1399879732 /nfs/dbraw/zinc/87/97/32/1399879732.db2.gz CJQZKQGWGGYETH-UHFFFAOYSA-N 1 0 387.436 3.251 20 5 GGBDRO C[N@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000026348741 1399881184 /nfs/dbraw/zinc/88/11/84/1399881184.db2.gz AKEOGYYBZJOCQH-UHFFFAOYSA-N 1 0 396.447 3.182 20 5 GGBDRO CC(C)[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000026727777 1399926427 /nfs/dbraw/zinc/92/64/27/1399926427.db2.gz MBNCVWMPGLCEGN-HXUWFJFHSA-N 1 0 382.464 3.189 20 5 GGBDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000026957972 1399957800 /nfs/dbraw/zinc/95/78/00/1399957800.db2.gz KCLYHWAYRGIANF-UHFFFAOYSA-N 1 0 396.491 3.235 20 5 GGBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000027241419 1400008022 /nfs/dbraw/zinc/00/80/22/1400008022.db2.gz QHRNGSNYSIZHBH-UHFFFAOYSA-N 1 0 385.489 3.421 20 5 GGBDRO CCOc1cc(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000055749257 1407073606 /nfs/dbraw/zinc/07/36/06/1407073606.db2.gz NURSXKZDENDAQE-SOUVJXGZSA-N 1 0 393.484 3.098 20 5 GGBDRO COc1cccc([C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000027341031 1400021408 /nfs/dbraw/zinc/02/14/08/1400021408.db2.gz RBIJBKWMAQKRCS-HXUWFJFHSA-N 1 0 383.448 3.099 20 5 GGBDRO COc1cccc([C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000027341033 1400022120 /nfs/dbraw/zinc/02/21/20/1400022120.db2.gz RBIJBKWMAQKRCS-FQEVSTJZSA-N 1 0 383.448 3.099 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000027388121 1400031657 /nfs/dbraw/zinc/03/16/57/1400031657.db2.gz ANQXHKMUNJBARB-UHFFFAOYSA-N 1 0 383.448 3.260 20 5 GGBDRO COc1ccc([C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])[NH+]2CCCCC2)cc1 ZINC000027667857 1400073226 /nfs/dbraw/zinc/07/32/26/1400073226.db2.gz GTXVXYDFELEYGY-OAQYLSRUSA-N 1 0 397.475 3.489 20 5 GGBDRO COc1ccc([C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])[NH+]2CCCCC2)cc1 ZINC000027667858 1400073624 /nfs/dbraw/zinc/07/36/24/1400073624.db2.gz GTXVXYDFELEYGY-NRFANRHFSA-N 1 0 397.475 3.489 20 5 GGBDRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000027807493 1400095217 /nfs/dbraw/zinc/09/52/17/1400095217.db2.gz CRIGBWIUSVUQJS-UHFFFAOYSA-N 1 0 397.431 3.239 20 5 GGBDRO Cc1c(NC(=O)[C@@H](C)N2CC[NH+](CCc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000027958180 1400110420 /nfs/dbraw/zinc/11/04/20/1400110420.db2.gz WNHBEFBKNCDOIW-GOSISDBHSA-N 1 0 396.491 3.091 20 5 GGBDRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000028005961 1400117504 /nfs/dbraw/zinc/11/75/04/1400117504.db2.gz MPDMJNAUERRZPI-UHFFFAOYSA-N 1 0 388.855 3.181 20 5 GGBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1OC(F)F ZINC000028922052 1400211844 /nfs/dbraw/zinc/21/18/44/1400211844.db2.gz LYKWUCNPANLCSQ-GXTWGEPZSA-N 1 0 382.363 3.287 20 5 GGBDRO CC[NH+](CC)Cc1ccccc1CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000029187441 1400255943 /nfs/dbraw/zinc/25/59/43/1400255943.db2.gz CTCQVZIEJWTGKP-UHFFFAOYSA-N 1 0 381.436 3.285 20 5 GGBDRO O=c1[nH]cnc2cc(NCc3ccccc3C[NH+]3CCCC3)c([N+](=O)[O-])cc21 ZINC000029187549 1400256062 /nfs/dbraw/zinc/25/60/62/1400256062.db2.gz LHLDKHZLDWCIFJ-UHFFFAOYSA-N 1 0 379.420 3.039 20 5 GGBDRO CC[NH+]1CCC(NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000029606776 1400322100 /nfs/dbraw/zinc/32/21/00/1400322100.db2.gz AXFAMTAQKQGBRL-IYBDPMFKSA-N 1 0 388.512 3.291 20 5 GGBDRO CN1CC[NH+](CCCCNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000029619383 1400324373 /nfs/dbraw/zinc/32/43/73/1400324373.db2.gz UQURICISINWJBA-UHFFFAOYSA-N 1 0 396.491 3.265 20 5 GGBDRO Cc1cc(C(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000030000156 1400395279 /nfs/dbraw/zinc/39/52/79/1400395279.db2.gz WZOHMMBYRPILIV-OAQYLSRUSA-N 1 0 396.491 3.012 20 5 GGBDRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)cn2)CC1 ZINC000030031278 1400401895 /nfs/dbraw/zinc/40/18/95/1400401895.db2.gz RFDSHATUHSPWQH-UHFFFAOYSA-N 1 0 397.479 3.291 20 5 GGBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCN(CCOc3ccccc3)CC2)cc1 ZINC000055899173 1407124314 /nfs/dbraw/zinc/12/43/14/1407124314.db2.gz NAUMSOWUFVTWQM-UHFFFAOYSA-N 1 0 385.464 3.060 20 5 GGBDRO O=c1[nH]c2ccccc2n1C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055900246 1407125689 /nfs/dbraw/zinc/12/56/89/1407125689.db2.gz OTAGMOLLPLSBSE-UHFFFAOYSA-N 1 0 396.447 3.344 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH+](CCC(C)(C)C)CC1 ZINC000055933740 1407138440 /nfs/dbraw/zinc/13/84/40/1407138440.db2.gz ARMZQMIGULOAAQ-UHFFFAOYSA-N 1 0 376.501 3.286 20 5 GGBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000056196447 1407247760 /nfs/dbraw/zinc/24/77/60/1407247760.db2.gz AZKXSVKJBSLXRZ-ZIAGYGMSSA-N 1 0 385.420 3.434 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056197455 1407247963 /nfs/dbraw/zinc/24/79/63/1407247963.db2.gz KKXYHXZFIGMUCI-VXGBXAGGSA-N 1 0 388.380 3.189 20 5 GGBDRO CCC(CC)[C@@H](CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000056385727 1407317380 /nfs/dbraw/zinc/31/73/80/1407317380.db2.gz FAPXYPVXQBKLBE-DNVCBOLYSA-N 1 0 392.500 3.092 20 5 GGBDRO C[C@@H](NC(=O)NCCC[N@@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000056393554 1407318710 /nfs/dbraw/zinc/31/87/10/1407318710.db2.gz LHMWNKVNVBNUDL-MRXNPFEDSA-N 1 0 382.464 3.403 20 5 GGBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000043004411 1403688637 /nfs/dbraw/zinc/68/86/37/1403688637.db2.gz BVQZMWBGKLSZHB-KRWDZBQOSA-N 1 0 388.493 3.289 20 5 GGBDRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000043544736 1403782726 /nfs/dbraw/zinc/78/27/26/1403782726.db2.gz DSOTVSAAOAIPPO-GOSISDBHSA-N 1 0 394.475 3.199 20 5 GGBDRO CCOc1cc(NC(=O)N2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])cc1OCC ZINC000043838711 1403827532 /nfs/dbraw/zinc/82/75/32/1403827532.db2.gz QEVIJLSFYRVHNR-UHFFFAOYSA-N 1 0 394.472 3.198 20 5 GGBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000044438856 1403933870 /nfs/dbraw/zinc/93/38/70/1403933870.db2.gz JPXJXTQIUDNSFW-UHFFFAOYSA-N 1 0 379.363 3.342 20 5 GGBDRO COc1cccc([C@H](CNC(=O)c2csc([N+](=O)[O-])c2)[NH+]2CCCC2)c1 ZINC000044834990 1404009198 /nfs/dbraw/zinc/00/91/98/1404009198.db2.gz KQPIAKQESCILMY-INIZCTEOSA-N 1 0 375.450 3.232 20 5 GGBDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000045281298 1404090408 /nfs/dbraw/zinc/09/04/08/1404090408.db2.gz SOSGFJWCSVRBIO-SFHVURJKSA-N 1 0 379.420 3.038 20 5 GGBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000045457891 1404125371 /nfs/dbraw/zinc/12/53/71/1404125371.db2.gz FBCHGFHSBKHSLF-HXUWFJFHSA-N 1 0 382.464 3.111 20 5 GGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000045465170 1404127569 /nfs/dbraw/zinc/12/75/69/1404127569.db2.gz QATQQNVVUYVIDP-CQSZACIVSA-N 1 0 385.489 3.493 20 5 GGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](C2CCCC2)CC1 ZINC000045753687 1404194340 /nfs/dbraw/zinc/19/43/40/1404194340.db2.gz MNYGIBDEXBLUFC-ZDUSSCGKSA-N 1 0 380.876 3.135 20 5 GGBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[NH+](C2CCCC2)CC1 ZINC000045753757 1404195114 /nfs/dbraw/zinc/19/51/14/1404195114.db2.gz NPBBBSLURDRUCZ-CYBMUJFWSA-N 1 0 380.876 3.135 20 5 GGBDRO Cc1cccc(C[NH+]2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000045799547 1404207474 /nfs/dbraw/zinc/20/74/74/1404207474.db2.gz DTWXJZUSZTTYPJ-UHFFFAOYSA-N 1 0 382.464 3.050 20 5 GGBDRO Cc1ccccc1C[NH+]1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000045799591 1404207505 /nfs/dbraw/zinc/20/75/05/1404207505.db2.gz LLEXZBKGBNKMFV-UHFFFAOYSA-N 1 0 396.491 3.358 20 5 GGBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CCC[NH+](C)C)Cc1ccccc1 ZINC000045797443 1404208037 /nfs/dbraw/zinc/20/80/37/1404208037.db2.gz QQPYRYSKXLYFQP-UHFFFAOYSA-N 1 0 391.493 3.046 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045806534 1404210519 /nfs/dbraw/zinc/21/05/19/1404210519.db2.gz RXNIUPQOSVDLOL-UHFFFAOYSA-N 1 0 388.512 3.430 20 5 GGBDRO COc1ccccc1[C@H](CNC(=O)c1cccc(C)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000045820105 1404214566 /nfs/dbraw/zinc/21/45/66/1404214566.db2.gz XPIUJBZZWGBJMM-SFHVURJKSA-N 1 0 383.448 3.479 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000045843754 1404222420 /nfs/dbraw/zinc/22/24/20/1404222420.db2.gz FIDDVKYNYQQAQC-OAHLLOKOSA-N 1 0 375.450 3.232 20 5 GGBDRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000046121235 1404305593 /nfs/dbraw/zinc/30/55/93/1404305593.db2.gz JPEKITCFDJUWMA-UHFFFAOYSA-N 1 0 397.479 3.054 20 5 GGBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000046403783 1404401219 /nfs/dbraw/zinc/40/12/19/1404401219.db2.gz DAHADWJMJOCMNP-UHFFFAOYSA-N 1 0 397.479 3.055 20 5 GGBDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000046709606 1404560380 /nfs/dbraw/zinc/56/03/80/1404560380.db2.gz CCHGXORXJJFODI-UHFFFAOYSA-N 1 0 396.491 3.440 20 5 GGBDRO CC[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000046768698 1404583202 /nfs/dbraw/zinc/58/32/02/1404583202.db2.gz SSUCRSMVONTEHO-IBGZPJMESA-N 1 0 396.491 3.350 20 5 GGBDRO CCOc1cc(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000046989545 1404664307 /nfs/dbraw/zinc/66/43/07/1404664307.db2.gz KFKGQVQKWGSYHE-OAHLLOKOSA-N 1 0 393.484 3.387 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000046989658 1404664433 /nfs/dbraw/zinc/66/44/33/1404664433.db2.gz AKESWGUYUDNLGK-HNNXBMFYSA-N 1 0 393.484 3.387 20 5 GGBDRO Cc1ccc(S(=O)(=O)N(CCC[NH+](C)C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000047031843 1404680600 /nfs/dbraw/zinc/68/06/00/1404680600.db2.gz WFRGXCABQKRAIZ-UHFFFAOYSA-N 1 0 391.493 3.046 20 5 GGBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000047214091 1404750232 /nfs/dbraw/zinc/75/02/32/1404750232.db2.gz DVYBEKQKFPDIAF-KRWDZBQOSA-N 1 0 388.512 3.437 20 5 GGBDRO CCOc1cc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000047416713 1404830249 /nfs/dbraw/zinc/83/02/49/1404830249.db2.gz DFDDGTXZDAKNBP-GJZGRUSLSA-N 1 0 393.484 3.100 20 5 GGBDRO CCOc1cc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000047416711 1404830416 /nfs/dbraw/zinc/83/04/16/1404830416.db2.gz DFDDGTXZDAKNBP-GASCZTMLSA-N 1 0 393.484 3.100 20 5 GGBDRO C[NH+]1CCN(c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)nc2)CC1 ZINC000047553199 1404865953 /nfs/dbraw/zinc/86/59/53/1404865953.db2.gz HQWJIUUDLYGWNF-UHFFFAOYSA-N 1 0 397.460 3.209 20 5 GGBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000047609279 1404879059 /nfs/dbraw/zinc/87/90/59/1404879059.db2.gz MVBIUCJEPNHXKL-KRWDZBQOSA-N 1 0 387.436 3.300 20 5 GGBDRO COc1ccc([C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[NH+]2CCCCC2)cc1 ZINC000047650423 1404886191 /nfs/dbraw/zinc/88/61/91/1404886191.db2.gz ZYPHSVNWPYWKAE-NRFANRHFSA-N 1 0 397.475 3.489 20 5 GGBDRO CCOC(=O)c1cc(C(=O)N(C)CC[N@H+](C)C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000047675682 1404891373 /nfs/dbraw/zinc/89/13/73/1404891373.db2.gz GLKCHYHLNXFSDB-UHFFFAOYSA-N 1 0 391.468 3.108 20 5 GGBDRO CC[NH+]1CCN(c2ccc(NC(=O)NCc3ccccc3[N+](=O)[O-])c(C)c2)CC1 ZINC000047746822 1404918334 /nfs/dbraw/zinc/91/83/34/1404918334.db2.gz KZMPDBPABAUBDP-UHFFFAOYSA-N 1 0 397.479 3.367 20 5 GGBDRO C[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C[NH+]1CCCC1 ZINC000047920163 1404996696 /nfs/dbraw/zinc/99/66/96/1404996696.db2.gz XPRARURFRUDLPJ-KRWDZBQOSA-N 1 0 377.488 3.003 20 5 GGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)s1 ZINC000048018606 1405026978 /nfs/dbraw/zinc/02/69/78/1405026978.db2.gz OZMHEKJJLYHDTD-INIZCTEOSA-N 1 0 387.505 3.477 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000048039636 1405030536 /nfs/dbraw/zinc/03/05/36/1405030536.db2.gz SVGUZAZYOZZILY-MRXNPFEDSA-N 1 0 376.388 3.167 20 5 GGBDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000048321684 1405144012 /nfs/dbraw/zinc/14/40/12/1405144012.db2.gz YVRWGGJNXYDIBU-UHFFFAOYSA-N 1 0 378.432 3.254 20 5 GGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccsc1 ZINC000048322020 1405145610 /nfs/dbraw/zinc/14/56/10/1405145610.db2.gz AZSVMDNSVYWFLF-HNNXBMFYSA-N 1 0 380.445 3.191 20 5 GGBDRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000173475818 1426649257 /nfs/dbraw/zinc/64/92/57/1426649257.db2.gz PRWRNMKJSMBKBX-FQEVSTJZSA-N 1 0 382.464 3.461 20 5 GGBDRO Cc1ccc(C(=O)NC2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000051098074 1405723013 /nfs/dbraw/zinc/72/30/13/1405723013.db2.gz TXNZJGQIOJEEFB-UHFFFAOYSA-N 1 0 389.477 3.238 20 5 GGBDRO Cc1ccc(C(=O)NC2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)s1 ZINC000051098065 1405723469 /nfs/dbraw/zinc/72/34/69/1405723469.db2.gz PQNBGZMIIKVHPJ-UHFFFAOYSA-N 1 0 389.477 3.238 20 5 GGBDRO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132840 1405728593 /nfs/dbraw/zinc/72/85/93/1405728593.db2.gz TUKBBMCSVHFRJO-UYAOXDASSA-N 1 0 383.448 3.293 20 5 GGBDRO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000051422432 1405808927 /nfs/dbraw/zinc/80/89/27/1405808927.db2.gz DLDROYLZRMCBGT-UHFFFAOYSA-N 1 0 397.479 3.319 20 5 GGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000052282705 1406007689 /nfs/dbraw/zinc/00/76/89/1406007689.db2.gz NYQQWOAFCORQBM-GASCZTMLSA-N 1 0 383.514 3.168 20 5 GGBDRO COc1ccccc1NC(=O)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000052641882 1406103302 /nfs/dbraw/zinc/10/33/02/1406103302.db2.gz NPSGSVWOKAPAEH-UHFFFAOYSA-N 1 0 399.447 3.333 20 5 GGBDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3csc([N+](=O)[O-])c3)cc2)C[C@@H](C)O1 ZINC000052690532 1406123213 /nfs/dbraw/zinc/12/32/13/1406123213.db2.gz SDCDZYFOTMHSDV-ZIAGYGMSSA-N 1 0 389.477 3.196 20 5 GGBDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3csc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000052690528 1406123577 /nfs/dbraw/zinc/12/35/77/1406123577.db2.gz SDCDZYFOTMHSDV-KBPBESRZSA-N 1 0 389.477 3.196 20 5 GGBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CCCc3nc(-c4ccccc4)no3)CC2)c1 ZINC000052844564 1406196785 /nfs/dbraw/zinc/19/67/85/1406196785.db2.gz AABZCFKUNFXDAJ-UHFFFAOYSA-N 1 0 393.447 3.400 20 5 GGBDRO CC[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000057004821 1407497285 /nfs/dbraw/zinc/49/72/85/1407497285.db2.gz GZHGQLYBXAXADN-IBGZPJMESA-N 1 0 382.464 3.231 20 5 GGBDRO CC[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000057004824 1407497355 /nfs/dbraw/zinc/49/73/55/1407497355.db2.gz GZHGQLYBXAXADN-LJQANCHMSA-N 1 0 382.464 3.231 20 5 GGBDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000057004934 1407497464 /nfs/dbraw/zinc/49/74/64/1407497464.db2.gz IEFWHEAFXSHUJG-UHFFFAOYSA-N 1 0 382.464 3.321 20 5 GGBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000057343354 1407592630 /nfs/dbraw/zinc/59/26/30/1407592630.db2.gz GKRMSVHVPXSPPH-UHFFFAOYSA-N 1 0 387.484 3.221 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000057704642 1407693142 /nfs/dbraw/zinc/69/31/42/1407693142.db2.gz SYYXVQMBYYUIJC-GOSISDBHSA-N 1 0 389.477 3.019 20 5 GGBDRO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000057704702 1407693788 /nfs/dbraw/zinc/69/37/88/1407693788.db2.gz HDXPJILFJPDZAL-IBGZPJMESA-N 1 0 389.477 3.019 20 5 GGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000058315046 1407810578 /nfs/dbraw/zinc/81/05/78/1407810578.db2.gz JZJLFZIQJOFQIR-CALCHBBNSA-N 1 0 399.495 3.268 20 5 GGBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000058400425 1407822748 /nfs/dbraw/zinc/82/27/48/1407822748.db2.gz DXNTZGPQXDZGHP-UHFFFAOYSA-N 1 0 386.427 3.019 20 5 GGBDRO C[NH+](C)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 ZINC000058491648 1407836466 /nfs/dbraw/zinc/83/64/66/1407836466.db2.gz MMLQOQLRRLNJAF-UHFFFAOYSA-N 1 0 398.463 3.388 20 5 GGBDRO Cc1ccc(C(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000058760357 1407876348 /nfs/dbraw/zinc/87/63/48/1407876348.db2.gz IGGKYTCBFSQGHV-IRXDYDNUSA-N 1 0 397.475 3.442 20 5 GGBDRO Cc1ccc(C(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000058760352 1407876419 /nfs/dbraw/zinc/87/64/19/1407876419.db2.gz IGGKYTCBFSQGHV-CALCHBBNSA-N 1 0 397.475 3.442 20 5 GGBDRO CC[NH+]1CCN([C@H](C)CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000059389340 1407921644 /nfs/dbraw/zinc/92/16/44/1407921644.db2.gz OAICARARYHTBQG-QGZVFWFLSA-N 1 0 396.491 3.264 20 5 GGBDRO CCOC(=O)c1cc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000059890428 1407928304 /nfs/dbraw/zinc/92/83/04/1407928304.db2.gz QMEDAXMJWONIRN-VBKZILBWSA-N 1 0 391.468 3.012 20 5 GGBDRO CCOC(=O)c1cc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000059890432 1407928982 /nfs/dbraw/zinc/92/89/82/1407928982.db2.gz QMEDAXMJWONIRN-JLTOFOAXSA-N 1 0 391.468 3.012 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc1OC ZINC000060395057 1407970338 /nfs/dbraw/zinc/97/03/38/1407970338.db2.gz GKZUQPVWUVGOKW-UHFFFAOYSA-N 1 0 393.484 3.195 20 5 GGBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000060470223 1407985043 /nfs/dbraw/zinc/98/50/43/1407985043.db2.gz LVHSTHKECMHDML-KRWDZBQOSA-N 1 0 380.448 3.173 20 5 GGBDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c1 ZINC000060789977 1408033880 /nfs/dbraw/zinc/03/38/80/1408033880.db2.gz CZJYFEAFPQGASA-UHFFFAOYSA-N 1 0 398.463 3.227 20 5 GGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000060845190 1408041192 /nfs/dbraw/zinc/04/11/92/1408041192.db2.gz LJKYTFRDSAUJES-CALCHBBNSA-N 1 0 388.512 3.293 20 5 GGBDRO Cc1cc(NC[C@@H](C(C)C)[NH+]2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060858697 1408043254 /nfs/dbraw/zinc/04/32/54/1408043254.db2.gz QJZRABAADNWQFX-SFHVURJKSA-N 1 0 385.468 3.129 20 5 GGBDRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000060950230 1408055110 /nfs/dbraw/zinc/05/51/10/1408055110.db2.gz OUIPWCVTPUACQK-LJQANCHMSA-N 1 0 391.493 3.265 20 5 GGBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]CCN2CCOCC2)cc1 ZINC000061003311 1408063530 /nfs/dbraw/zinc/06/35/30/1408063530.db2.gz LIHARMDOHPFQIT-UHFFFAOYSA-N 1 0 391.855 3.462 20 5 GGBDRO COc1ccc([C@H](C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)N2CCOCC2)cc1 ZINC000061013014 1408064567 /nfs/dbraw/zinc/06/45/67/1408064567.db2.gz OYXDTDQIHPBWGN-NRFANRHFSA-N 1 0 385.464 3.075 20 5 GGBDRO COc1cc(C[NH2+]CCN2CCCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061030880 1408067527 /nfs/dbraw/zinc/06/75/27/1408067527.db2.gz LCQUXUTVPUECSK-UHFFFAOYSA-N 1 0 385.464 3.368 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000061286287 1408101651 /nfs/dbraw/zinc/10/16/51/1408101651.db2.gz GMTJCGSLGOGZAI-UHFFFAOYSA-N 1 0 387.461 3.405 20 5 GGBDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176389429 1428293856 /nfs/dbraw/zinc/29/38/56/1428293856.db2.gz DSMDVFFBLAYZPR-UHFFFAOYSA-N 1 0 396.451 3.121 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCn2ccnc2)cc1 ZINC000061555623 1408146008 /nfs/dbraw/zinc/14/60/08/1408146008.db2.gz DCMOIQHQNRKVMX-UHFFFAOYSA-N 1 0 388.431 3.434 20 5 GGBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061567244 1408147869 /nfs/dbraw/zinc/14/78/69/1408147869.db2.gz VEMVAYQGCRMHJQ-UHFFFAOYSA-N 1 0 388.493 3.097 20 5 GGBDRO Nc1c(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc(F)cc1[N+](=O)[O-] ZINC000061571473 1408149121 /nfs/dbraw/zinc/14/91/21/1408149121.db2.gz XDOQCVBPUCGTHC-UHFFFAOYSA-N 1 0 390.440 3.117 20 5 GGBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063080572 1408301537 /nfs/dbraw/zinc/30/15/37/1408301537.db2.gz CKQRHZORLHHVGE-UHFFFAOYSA-N 1 0 396.491 3.425 20 5 GGBDRO Cc1ccc([C@@H](C)NC(=O)NC2CC[NH+](CCOC(C)C)CC2)cc1[N+](=O)[O-] ZINC000176411102 1428308928 /nfs/dbraw/zinc/30/89/28/1428308928.db2.gz OFXNODOVAQJUSX-MRXNPFEDSA-N 1 0 392.500 3.153 20 5 GGBDRO COc1ccc(C[NH+]2CCC(CNC(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000063263527 1408326030 /nfs/dbraw/zinc/32/60/30/1408326030.db2.gz QIBSVQYRCYHKJE-UHFFFAOYSA-N 1 0 383.448 3.245 20 5 GGBDRO O=C(NCCc1cccs1)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000063301188 1408332591 /nfs/dbraw/zinc/33/25/91/1408332591.db2.gz FCPAYXZGNNIYIH-UHFFFAOYSA-N 1 0 387.505 3.270 20 5 GGBDRO CCN(C[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1)CC(F)(F)F ZINC000176414891 1428311555 /nfs/dbraw/zinc/31/15/55/1428311555.db2.gz DRDMTUWGMPYSIC-CQSZACIVSA-N 1 0 375.391 3.180 20 5 GGBDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)cc2)C[C@@H](C)O1 ZINC000063561155 1408372486 /nfs/dbraw/zinc/37/24/86/1408372486.db2.gz XLBGPIGJQQFAPG-HZPDHXFCSA-N 1 0 383.448 3.134 20 5 GGBDRO C[C@H]1CCC[C@](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)([NH+](C)C)C1 ZINC000063582805 1408373981 /nfs/dbraw/zinc/37/39/81/1408373981.db2.gz WZGLNQKZLHBHRW-YWZLYKJASA-N 1 0 385.468 3.021 20 5 GGBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000063583121 1408374244 /nfs/dbraw/zinc/37/42/44/1408374244.db2.gz VILBXTZUNRNKEM-HZPDHXFCSA-N 1 0 399.495 3.267 20 5 GGBDRO Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000063586797 1408374656 /nfs/dbraw/zinc/37/46/56/1408374656.db2.gz WDKVAFGJDTZRCT-SFHVURJKSA-N 1 0 386.408 3.153 20 5 GGBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000063723933 1408396976 /nfs/dbraw/zinc/39/69/76/1408396976.db2.gz DAVIDFTYPFRYGR-UHFFFAOYSA-N 1 0 391.515 3.488 20 5 GGBDRO CN1CC[NH+](CCCCNC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000063739348 1408399200 /nfs/dbraw/zinc/39/92/00/1408399200.db2.gz UYRLEPXPNSPSAX-UHFFFAOYSA-N 1 0 376.504 3.145 20 5 GGBDRO Cc1c(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000063758187 1408403417 /nfs/dbraw/zinc/40/34/17/1408403417.db2.gz FBOWZLXCXKXMQE-ZDUSSCGKSA-N 1 0 378.429 3.196 20 5 GGBDRO Cc1c(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000063802958 1408415819 /nfs/dbraw/zinc/41/58/19/1408415819.db2.gz CAFNTCFMOOKZKJ-SGTLLEGYSA-N 1 0 378.429 3.052 20 5 GGBDRO COc1ccc(CSCC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000063810249 1408418161 /nfs/dbraw/zinc/41/81/61/1408418161.db2.gz JUUZFYFDHMTFIZ-HUUCEWRRSA-N 1 0 395.525 3.073 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)c2ccccc2)cc1OC ZINC000063829381 1408422447 /nfs/dbraw/zinc/42/24/47/1408422447.db2.gz JQHDYIJQORKARA-UHFFFAOYSA-N 1 0 387.436 3.211 20 5 GGBDRO Cn1ccnc1C(=O)c1ccc(NCC[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000064113544 1408486656 /nfs/dbraw/zinc/48/66/56/1408486656.db2.gz UQALGEGVQLBMRG-UHFFFAOYSA-N 1 0 393.447 3.103 20 5 GGBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[NH+](CC2CCCCC2)CC1 ZINC000064126060 1408489841 /nfs/dbraw/zinc/48/98/41/1408489841.db2.gz JAJWRUPQDZDNLX-UHFFFAOYSA-N 1 0 375.469 3.088 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2ncn(CN3CC[NH+](CC4CCCCC4)CC3)n2)c1 ZINC000064127327 1408490632 /nfs/dbraw/zinc/49/06/32/1408490632.db2.gz XEQSXKGBJQOYRJ-UHFFFAOYSA-N 1 0 384.484 3.009 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH+](CC2CCCCC2)CC1 ZINC000064129311 1408491922 /nfs/dbraw/zinc/49/19/22/1408491922.db2.gz VVMPFAIKVRFKBQ-UHFFFAOYSA-N 1 0 388.512 3.430 20 5 GGBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000064310831 1408532745 /nfs/dbraw/zinc/53/27/45/1408532745.db2.gz OOILBRFCIXHRTO-UHFFFAOYSA-N 1 0 389.496 3.478 20 5 GGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000064350113 1408538653 /nfs/dbraw/zinc/53/86/53/1408538653.db2.gz OZOIFNYYUHOKOC-GOSISDBHSA-N 1 0 389.408 3.153 20 5 GGBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000064419877 1408550685 /nfs/dbraw/zinc/55/06/85/1408550685.db2.gz SUMSJYMCKAQMSZ-CQSZACIVSA-N 1 0 383.876 3.254 20 5 GGBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000064736526 1408604849 /nfs/dbraw/zinc/60/48/49/1408604849.db2.gz MTXCGYLIYRYZKQ-UONOGXRCSA-N 1 0 383.876 3.254 20 5 GGBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000064739581 1408605574 /nfs/dbraw/zinc/60/55/74/1408605574.db2.gz JCWRTZFTCVQAAE-HZSPNIEDSA-N 1 0 383.876 3.252 20 5 GGBDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000064739239 1408606005 /nfs/dbraw/zinc/60/60/05/1408606005.db2.gz LRZACXCEHNLORN-UHFFFAOYSA-N 1 0 399.495 3.188 20 5 GGBDRO Cc1c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000065421171 1408667670 /nfs/dbraw/zinc/66/76/70/1408667670.db2.gz RZPBAWVSHUFVJZ-LBPRGKRZSA-N 1 0 378.429 3.052 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000065436648 1408668864 /nfs/dbraw/zinc/66/88/64/1408668864.db2.gz LKTQNMABJAUIMR-OKILXGFUSA-N 1 0 378.473 3.481 20 5 GGBDRO CC(=O)c1cccc(OC[C@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000065512374 1408681964 /nfs/dbraw/zinc/68/19/64/1408681964.db2.gz MVUQSBHEENNWRB-HXUWFJFHSA-N 1 0 386.448 3.448 20 5 GGBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000065517904 1408682253 /nfs/dbraw/zinc/68/22/53/1408682253.db2.gz ZDZPQQCMFDNICJ-LJQANCHMSA-N 1 0 382.464 3.306 20 5 GGBDRO O=C(NC1CCCCC1)NC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065536312 1408684845 /nfs/dbraw/zinc/68/48/45/1408684845.db2.gz GRSSXIRRDFVPTE-UHFFFAOYSA-N 1 0 390.484 3.070 20 5 GGBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000065725916 1408719192 /nfs/dbraw/zinc/71/91/92/1408719192.db2.gz BTFDIPHQLXUPJK-UHFFFAOYSA-N 1 0 392.459 3.114 20 5 GGBDRO C[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[N@@H+]1CCc2ccccc2C1 ZINC000065725435 1408719271 /nfs/dbraw/zinc/71/92/71/1408719271.db2.gz PAQLJDWIRFYZTA-MRXNPFEDSA-N 1 0 392.459 3.113 20 5 GGBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000065747679 1408723399 /nfs/dbraw/zinc/72/33/99/1408723399.db2.gz DWSLNGDDGHAJNJ-UHFFFAOYSA-N 1 0 390.827 3.391 20 5 GGBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000065747991 1408723438 /nfs/dbraw/zinc/72/34/38/1408723438.db2.gz TZPJXNCNDPDFBL-LFYBBSHMSA-N 1 0 382.420 3.137 20 5 GGBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000065881177 1408747181 /nfs/dbraw/zinc/74/71/81/1408747181.db2.gz CWXBGXCDPUUGAI-UHFFFAOYSA-N 1 0 393.447 3.162 20 5 GGBDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000065893720 1408748892 /nfs/dbraw/zinc/74/88/92/1408748892.db2.gz QTYKFMNODFKBQV-UHFFFAOYSA-N 1 0 384.411 3.419 20 5 GGBDRO CC[NH+](CC)[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccco1 ZINC000065901209 1408750922 /nfs/dbraw/zinc/75/09/22/1408750922.db2.gz ZLZJGBZZAXPBAP-GOSISDBHSA-N 1 0 384.436 3.342 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)CC[N@H+](C)C2CCCCC2)cc1OC ZINC000065910735 1408752746 /nfs/dbraw/zinc/75/27/46/1408752746.db2.gz UKRIPEINOFUANM-UHFFFAOYSA-N 1 0 393.484 3.339 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000065917163 1408753592 /nfs/dbraw/zinc/75/35/92/1408753592.db2.gz BJLJYQBNXUCEIW-UHFFFAOYSA-N 1 0 375.469 3.378 20 5 GGBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000065931803 1408756865 /nfs/dbraw/zinc/75/68/65/1408756865.db2.gz GDRIXNXAZXIQIX-UHFFFAOYSA-N 1 0 391.468 3.416 20 5 GGBDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000065937887 1408758828 /nfs/dbraw/zinc/75/88/28/1408758828.db2.gz ONCMSURMNKZDMR-UHFFFAOYSA-N 1 0 377.391 3.385 20 5 GGBDRO COc1ccc(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000065964333 1408763889 /nfs/dbraw/zinc/76/38/89/1408763889.db2.gz CDAQKXWOAYZWGZ-UHFFFAOYSA-N 1 0 375.469 3.264 20 5 GGBDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000065984350 1408767232 /nfs/dbraw/zinc/76/72/32/1408767232.db2.gz KWNZEPRZWJFDNL-UHFFFAOYSA-N 1 0 378.379 3.469 20 5 GGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000066047220 1408778592 /nfs/dbraw/zinc/77/85/92/1408778592.db2.gz GISSCHOUULKQOI-FCEWJHQRSA-N 1 0 384.480 3.413 20 5 GGBDRO CCOc1cc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1OCC ZINC000066158553 1408785654 /nfs/dbraw/zinc/78/56/54/1408785654.db2.gz CYWYNVGKGXGPGB-AWEZNQCLSA-N 1 0 392.456 3.094 20 5 GGBDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000066675732 1408882119 /nfs/dbraw/zinc/88/21/19/1408882119.db2.gz WMOJYAWKJIACGD-UHFFFAOYSA-N 1 0 396.491 3.377 20 5 GGBDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000066676063 1408882477 /nfs/dbraw/zinc/88/24/77/1408882477.db2.gz BAODOYHMMZEUBK-UHFFFAOYSA-N 1 0 397.475 3.344 20 5 GGBDRO C[NH+](C)CCNC(=O)c1cccc(CNc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000066816430 1408920625 /nfs/dbraw/zinc/92/06/25/1408920625.db2.gz MELLFNSXNBIEHR-UHFFFAOYSA-N 1 0 376.844 3.152 20 5 GGBDRO C[NH+](C)CCNC(=O)c1cccc(CNc2ccc3cc([N+](=O)[O-])ccc3n2)c1 ZINC000066816422 1408920672 /nfs/dbraw/zinc/92/06/72/1408920672.db2.gz XNTYJFBYSAALPK-UHFFFAOYSA-N 1 0 393.447 3.047 20 5 GGBDRO C[C@@H]1C[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000176581045 1428370224 /nfs/dbraw/zinc/37/02/24/1428370224.db2.gz VBFOWXZMOOGGIH-AEFFLSMTSA-N 1 0 383.448 3.143 20 5 GGBDRO COc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000176579121 1428369250 /nfs/dbraw/zinc/36/92/50/1428369250.db2.gz HNSHLHCEVCAFAO-YJBOKZPZSA-N 1 0 383.448 3.386 20 5 GGBDRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000067203716 1409040476 /nfs/dbraw/zinc/04/04/76/1409040476.db2.gz JINNFMLFTYNCSW-QGZVFWFLSA-N 1 0 380.448 3.302 20 5 GGBDRO CC(C)C[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000067264603 1409058096 /nfs/dbraw/zinc/05/80/96/1409058096.db2.gz IDBLBHJJWQNKGA-ZDUSSCGKSA-N 1 0 383.876 3.252 20 5 GGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccco1 ZINC000067275314 1409061248 /nfs/dbraw/zinc/06/12/48/1409061248.db2.gz YDEMZSAICQZRIN-SFHVURJKSA-N 1 0 397.435 3.186 20 5 GGBDRO CC[NH+](CC)[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000067276543 1409061279 /nfs/dbraw/zinc/06/12/79/1409061279.db2.gz NDQJVODTTNNUHG-INIZCTEOSA-N 1 0 377.466 3.479 20 5 GGBDRO Cn1ccnc1C(=O)c1ccc(NC[C@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000067382958 1409095703 /nfs/dbraw/zinc/09/57/03/1409095703.db2.gz MQYYINGUHIPUDP-LJQANCHMSA-N 1 0 393.447 3.274 20 5 GGBDRO O=c1[nH]cnc2cc(NC[C@H]3CCC[N@H+](Cc4ccccc4)C3)c([N+](=O)[O-])cc21 ZINC000067384805 1409096262 /nfs/dbraw/zinc/09/62/62/1409096262.db2.gz LUCZGYLGHHLYPK-MRXNPFEDSA-N 1 0 393.447 3.155 20 5 GGBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000176597988 1428375376 /nfs/dbraw/zinc/37/53/76/1428375376.db2.gz PBAUNFRUHVOLBE-GOSISDBHSA-N 1 0 376.501 3.195 20 5 GGBDRO O=C1[C@@H]([NH2+]CC2(c3ccccc3)CCOCC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067452329 1409122433 /nfs/dbraw/zinc/12/24/33/1409122433.db2.gz CBIKJCNHKNXICS-FQEVSTJZSA-N 1 0 395.459 3.038 20 5 GGBDRO COc1cc(C)c([C@@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000067452356 1409122683 /nfs/dbraw/zinc/12/26/83/1409122683.db2.gz YLXJGMKYFALFHX-KDOFPFPSSA-N 1 0 399.447 3.377 20 5 GGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000067452303 1409122930 /nfs/dbraw/zinc/12/29/30/1409122930.db2.gz BDFNTWAAXLCOCK-RDTXWAMCSA-N 1 0 399.447 3.458 20 5 GGBDRO CC[NH+]1CCN(c2ccc(NC(=O)NCc3cccc([N+](=O)[O-])c3)c(C)c2)CC1 ZINC000067527910 1409146629 /nfs/dbraw/zinc/14/66/29/1409146629.db2.gz WTZMYBYZCQMPNO-UHFFFAOYSA-N 1 0 397.479 3.367 20 5 GGBDRO CC[C@H](CNC(=O)c1cc(OC)ccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000067547778 1409155772 /nfs/dbraw/zinc/15/57/72/1409155772.db2.gz GQMMRDLBUCMMIM-QGZVFWFLSA-N 1 0 383.448 3.170 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000067548384 1409156440 /nfs/dbraw/zinc/15/64/40/1409156440.db2.gz UBJLFPGYTPIOLB-UHFFFAOYSA-N 1 0 383.448 3.040 20 5 GGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)c1ccco1 ZINC000067593558 1409179544 /nfs/dbraw/zinc/17/95/44/1409179544.db2.gz JYGDXLPZHHTIHH-INIZCTEOSA-N 1 0 390.396 3.217 20 5 GGBDRO CC[NH+]1CCC(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000067682828 1409206556 /nfs/dbraw/zinc/20/65/56/1409206556.db2.gz KAERSSZBYNAGEX-UHFFFAOYSA-N 1 0 377.488 3.003 20 5 GGBDRO Cn1cc(C[NH2+]CCN2CCc3sccc3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000067699602 1409208023 /nfs/dbraw/zinc/20/80/23/1409208023.db2.gz HDOZNJGWSWESCR-UHFFFAOYSA-N 1 0 397.504 3.205 20 5 GGBDRO COc1ccccc1[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000067725827 1409215598 /nfs/dbraw/zinc/21/55/98/1409215598.db2.gz DVJOGZSHIIQOOO-LJQANCHMSA-N 1 0 398.463 3.240 20 5 GGBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000067735039 1409217344 /nfs/dbraw/zinc/21/73/44/1409217344.db2.gz ZDZPQQCMFDNICJ-IBGZPJMESA-N 1 0 382.464 3.306 20 5 GGBDRO COc1ccc(CC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000067791977 1409232013 /nfs/dbraw/zinc/23/20/13/1409232013.db2.gz KFSCSDBUELCAHN-QGZVFWFLSA-N 1 0 387.436 3.082 20 5 GGBDRO CC[C@@H](CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000067809793 1409236023 /nfs/dbraw/zinc/23/60/23/1409236023.db2.gz YHTBZKHPKDFLRU-IBGZPJMESA-N 1 0 397.475 3.099 20 5 GGBDRO COc1ccc(CC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000067907159 1409253509 /nfs/dbraw/zinc/25/35/09/1409253509.db2.gz VMPIQCMCRHYZFU-IYBDPMFKSA-N 1 0 377.485 3.020 20 5 GGBDRO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccsc1 ZINC000067906752 1409253549 /nfs/dbraw/zinc/25/35/49/1409253549.db2.gz YEILLHAANTZPTF-KRWDZBQOSA-N 1 0 391.493 3.407 20 5 GGBDRO CC[NH+](CC)Cc1cccc(CNC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000067907978 1409253640 /nfs/dbraw/zinc/25/36/40/1409253640.db2.gz ASAGURQFJAZQTP-UHFFFAOYSA-N 1 0 385.464 3.304 20 5 GGBDRO C[C@H]1CN(C(=O)c2ccc(C[NH2+]Cc3cccc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000067979115 1409269180 /nfs/dbraw/zinc/26/91/80/1409269180.db2.gz MYEXMJLZFHJGMK-HOTGVXAUSA-N 1 0 383.448 3.134 20 5 GGBDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC000067979291 1409269244 /nfs/dbraw/zinc/26/92/44/1409269244.db2.gz XLBGPIGJQQFAPG-IYBDPMFKSA-N 1 0 383.448 3.134 20 5 GGBDRO Cc1c(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000068085492 1409295453 /nfs/dbraw/zinc/29/54/53/1409295453.db2.gz VAXHLDVHTVAFGN-KBPBESRZSA-N 1 0 392.456 3.299 20 5 GGBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000068085488 1409295609 /nfs/dbraw/zinc/29/56/09/1409295609.db2.gz IESBBWHJKMSNCX-OKILXGFUSA-N 1 0 392.456 3.299 20 5 GGBDRO Cc1c(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000068116802 1409307550 /nfs/dbraw/zinc/30/75/50/1409307550.db2.gz CAFNTCFMOOKZKJ-KPZWWZAWSA-N 1 0 378.429 3.052 20 5 GGBDRO C[NH+](C)CCOc1cccc(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000068130567 1409309986 /nfs/dbraw/zinc/30/99/86/1409309986.db2.gz JRUGMTPPZCFNMG-UHFFFAOYSA-N 1 0 377.828 3.119 20 5 GGBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000068134885 1409311451 /nfs/dbraw/zinc/31/14/51/1409311451.db2.gz RLLFDPGVCLRONF-GOSISDBHSA-N 1 0 386.496 3.286 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccc(F)cc1 ZINC000068217800 1409333164 /nfs/dbraw/zinc/33/31/64/1409333164.db2.gz SDNRZZFJRPRAEH-LJQANCHMSA-N 1 0 384.411 3.108 20 5 GGBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000068265870 1409345748 /nfs/dbraw/zinc/34/57/48/1409345748.db2.gz AZZOZCMXSOYBKX-XHDPSFHLSA-N 1 0 397.884 3.496 20 5 GGBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000068265547 1409345816 /nfs/dbraw/zinc/34/58/16/1409345816.db2.gz RQLJMJNXBOIESA-GUYCJALGSA-N 1 0 391.855 3.435 20 5 GGBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000068265871 1409345838 /nfs/dbraw/zinc/34/58/38/1409345838.db2.gz AZZOZCMXSOYBKX-IAQYHMDHSA-N 1 0 397.884 3.496 20 5 GGBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000068265548 1409345846 /nfs/dbraw/zinc/34/58/46/1409345846.db2.gz RQLJMJNXBOIESA-SUMWQHHRSA-N 1 0 391.855 3.435 20 5 GGBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000068265725 1409345876 /nfs/dbraw/zinc/34/58/76/1409345876.db2.gz NIRGTJNFMXXXLK-SMDDNHRTSA-N 1 0 397.884 3.496 20 5 GGBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000068265970 1409346425 /nfs/dbraw/zinc/34/64/25/1409346425.db2.gz GYTKGRIWICDMCS-ZDUSSCGKSA-N 1 0 391.855 3.394 20 5 GGBDRO O=Cc1ccc(OCC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c([N+](=O)[O-])c1 ZINC000068275747 1409349244 /nfs/dbraw/zinc/34/92/44/1409349244.db2.gz XDZSFWJLMFYBJW-UHFFFAOYSA-N 1 0 397.431 3.411 20 5 GGBDRO O=C(CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000068371947 1409382223 /nfs/dbraw/zinc/38/22/23/1409382223.db2.gz URIIXSAMNWCVOO-MRXNPFEDSA-N 1 0 396.447 3.274 20 5 GGBDRO Cc1cc(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000176684346 1428405064 /nfs/dbraw/zinc/40/50/64/1428405064.db2.gz STLIPONTVDXRLY-UHFFFAOYSA-N 1 0 382.464 3.222 20 5 GGBDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000068589981 1409447032 /nfs/dbraw/zinc/44/70/32/1409447032.db2.gz BKSQZXJBADVXMF-UHFFFAOYSA-N 1 0 392.406 3.146 20 5 GGBDRO CC(C)OCC[NH+]1CCC(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000176688679 1428408193 /nfs/dbraw/zinc/40/81/93/1428408193.db2.gz LDRGGUMNQPFHNS-HNNXBMFYSA-N 1 0 395.525 3.081 20 5 GGBDRO CC(C)[NH+](CCNC(=O)C1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1)C(C)C ZINC000068997104 1409539951 /nfs/dbraw/zinc/53/99/51/1409539951.db2.gz OBBRESUCMRAYNP-UHFFFAOYSA-N 1 0 394.491 3.185 20 5 GGBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000069001867 1409540870 /nfs/dbraw/zinc/54/08/70/1409540870.db2.gz XYWKHBLEKVKYMY-UHFFFAOYSA-N 1 0 399.495 3.038 20 5 GGBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000176698294 1428417086 /nfs/dbraw/zinc/41/70/86/1428417086.db2.gz BIRLVSFXLZDNNV-OWCLPIDISA-N 1 0 395.525 3.081 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCCC[N@H+](C)C2CCCCC2)cc1OC ZINC000069501215 1409644972 /nfs/dbraw/zinc/64/49/72/1409644972.db2.gz CJPGLIZDAKRNMC-UHFFFAOYSA-N 1 0 393.484 3.387 20 5 GGBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000069784491 1409698116 /nfs/dbraw/zinc/69/81/16/1409698116.db2.gz VAJIXSXYNMRKMZ-CQSZACIVSA-N 1 0 377.466 3.004 20 5 GGBDRO Cc1c(C(=O)N2CC[NH+](CC3CCCCC3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000070826947 1409785577 /nfs/dbraw/zinc/78/55/77/1409785577.db2.gz JREZKDAXHQZGJV-UHFFFAOYSA-N 1 0 390.440 3.150 20 5 GGBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000071027298 1409814263 /nfs/dbraw/zinc/81/42/63/1409814263.db2.gz HHJPSSNTSZJXNA-LLVKDONJSA-N 1 0 387.783 3.235 20 5 GGBDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccc(N)c([N+](=O)[O-])c3)cc2)C1 ZINC000071906931 1409830090 /nfs/dbraw/zinc/83/00/90/1409830090.db2.gz RHJUHZJHSWFLQK-HNNXBMFYSA-N 1 0 382.464 3.339 20 5 GGBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000072106951 1409849124 /nfs/dbraw/zinc/84/91/24/1409849124.db2.gz ULSYOZNRJKGVNY-LJQANCHMSA-N 1 0 399.447 3.194 20 5 GGBDRO CC[NH+](CC)CCOC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000081058731 1410014203 /nfs/dbraw/zinc/01/42/03/1410014203.db2.gz LPBJTKOSMOQCQS-UHFFFAOYSA-N 1 0 378.473 3.258 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000085637199 1410043255 /nfs/dbraw/zinc/04/32/55/1410043255.db2.gz XGGSHWZIWUIYGR-UHFFFAOYSA-N 1 0 378.473 3.223 20 5 GGBDRO COc1ccc(-c2ccc(C[NH+]3CCC(c4nncn4C)CC3)o2)c([N+](=O)[O-])c1 ZINC000091795206 1410082187 /nfs/dbraw/zinc/08/21/87/1410082187.db2.gz NJTSZWUYMHRPFW-UHFFFAOYSA-N 1 0 397.435 3.372 20 5 GGBDRO Cc1noc([C@H]2CCC[N@@H+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000091832194 1410084251 /nfs/dbraw/zinc/08/42/51/1410084251.db2.gz SNXTZSFCZOKIEG-HNNXBMFYSA-N 1 0 382.424 3.066 20 5 GGBDRO COc1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000092066563 1410103813 /nfs/dbraw/zinc/10/38/13/1410103813.db2.gz PIBHSSLIFQAVLV-RHSMWYFYSA-N 1 0 375.469 3.061 20 5 GGBDRO COc1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000092066565 1410104055 /nfs/dbraw/zinc/10/40/55/1410104055.db2.gz PIBHSSLIFQAVLV-PBHICJAKSA-N 1 0 375.469 3.061 20 5 GGBDRO COCCCNC(=O)C1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000092362007 1410143577 /nfs/dbraw/zinc/14/35/77/1410143577.db2.gz LXMMRDBAIFBMGI-UHFFFAOYSA-N 1 0 377.485 3.083 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000092424561 1410156168 /nfs/dbraw/zinc/15/61/68/1410156168.db2.gz WRSFKKQWJBTAIF-HZPDHXFCSA-N 1 0 377.485 3.139 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000092471078 1410159818 /nfs/dbraw/zinc/15/98/18/1410159818.db2.gz SBSQIUIUZBFLCX-HXUWFJFHSA-N 1 0 378.432 3.404 20 5 GGBDRO COc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000092667608 1410186417 /nfs/dbraw/zinc/18/64/17/1410186417.db2.gz QZGSPMAWJKELKY-UHFFFAOYSA-N 1 0 397.475 3.440 20 5 GGBDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000092730937 1410195155 /nfs/dbraw/zinc/19/51/55/1410195155.db2.gz RLCAHWVKHFJLHM-LSDHHAIUSA-N 1 0 393.484 3.129 20 5 GGBDRO CC(C)c1ccc(C[NH+]2CCC(CNC(=O)c3cnn(C)c3)CC2)cc1[N+](=O)[O-] ZINC000092759515 1410198256 /nfs/dbraw/zinc/19/82/56/1410198256.db2.gz MZKFJVMUZFHBQP-UHFFFAOYSA-N 1 0 399.495 3.094 20 5 GGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)o1 ZINC000093017529 1410218228 /nfs/dbraw/zinc/21/82/28/1410218228.db2.gz BZSIWJHXTOOYHU-QGZVFWFLSA-N 1 0 385.464 3.399 20 5 GGBDRO COc1cc(C[N@H+](C)CC2CCOCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000093314690 1410233801 /nfs/dbraw/zinc/23/38/01/1410233801.db2.gz WKUVAHZUGQKBNN-UHFFFAOYSA-N 1 0 392.374 3.403 20 5 GGBDRO COCCOC1CC[NH+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000093339539 1410235700 /nfs/dbraw/zinc/23/57/00/1410235700.db2.gz NOTSFCCGZZMKAB-UHFFFAOYSA-N 1 0 390.436 3.491 20 5 GGBDRO Cn1cc(C[N@H+](CCO)CCc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093389512 1410242096 /nfs/dbraw/zinc/24/20/96/1410242096.db2.gz DUNBSHUOOYFPDQ-UHFFFAOYSA-N 1 0 380.448 3.032 20 5 GGBDRO COc1ccc([C@@H](CO)[N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000093415280 1410244713 /nfs/dbraw/zinc/24/47/13/1410244713.db2.gz GFMJCEQUNNYOAS-HXUWFJFHSA-N 1 0 396.447 3.169 20 5 GGBDRO COCC[N@H+]1[C@H](C)CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C ZINC000093478703 1410248612 /nfs/dbraw/zinc/24/86/12/1410248612.db2.gz RBESRQHCNVTLGU-GASCZTMLSA-N 1 0 390.509 3.259 20 5 GGBDRO COc1cc2c(c(C[N@@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)c1)O[C@H](C)C2 ZINC000093534239 1410250946 /nfs/dbraw/zinc/25/09/46/1410250946.db2.gz HAFDWKMUZVHWTE-CJNGLKHVSA-N 1 0 384.436 3.008 20 5 GGBDRO Cc1ncc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1-c1ccccc1 ZINC000093534447 1410251178 /nfs/dbraw/zinc/25/11/78/1410251178.db2.gz UYVTWGDEHCKILJ-INIZCTEOSA-N 1 0 378.436 3.170 20 5 GGBDRO COc1cccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1OC(C)C ZINC000093534628 1410251730 /nfs/dbraw/zinc/25/17/30/1410251730.db2.gz JVZZIUIRVMWPAV-MRXNPFEDSA-N 1 0 386.452 3.472 20 5 GGBDRO CCCOc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1OC ZINC000093534602 1410252055 /nfs/dbraw/zinc/25/20/55/1410252055.db2.gz LCNBYDQCYBHKBI-MRXNPFEDSA-N 1 0 386.452 3.474 20 5 GGBDRO CCCOc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1OC ZINC000093534598 1410252073 /nfs/dbraw/zinc/25/20/73/1410252073.db2.gz LCNBYDQCYBHKBI-INIZCTEOSA-N 1 0 386.452 3.474 20 5 GGBDRO Cn1cc(CN2CCC[C@H]([NH+]3CCCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093563630 1410253678 /nfs/dbraw/zinc/25/36/78/1410253678.db2.gz OUKRBHXIPRXNMG-IBGZPJMESA-N 1 0 383.496 3.446 20 5 GGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)s1 ZINC000093664533 1410258321 /nfs/dbraw/zinc/25/83/21/1410258321.db2.gz MDZIOUAQGDIYRI-INIZCTEOSA-N 1 0 387.505 3.477 20 5 GGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)s1 ZINC000093664532 1410258445 /nfs/dbraw/zinc/25/84/45/1410258445.db2.gz MDZIOUAQGDIYRI-MRXNPFEDSA-N 1 0 387.505 3.477 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H](CN4CCOCC4)C3)s2)cc1 ZINC000093664068 1410258633 /nfs/dbraw/zinc/25/86/33/1410258633.db2.gz UCTXCJYTTCQTFH-MRXNPFEDSA-N 1 0 387.505 3.477 20 5 GGBDRO Cn1cc(CN2CC[C@H](C[NH+]3CCCCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093683372 1410259110 /nfs/dbraw/zinc/25/91/10/1410259110.db2.gz CYGDJNNFZCGLMO-QGZVFWFLSA-N 1 0 383.496 3.303 20 5 GGBDRO CNC(=O)CCC[N@H+](C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000093717970 1410261578 /nfs/dbraw/zinc/26/15/78/1410261578.db2.gz IVUMZQQOAUOGEG-UHFFFAOYSA-N 1 0 375.400 3.484 20 5 GGBDRO COCCOC[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000093754971 1410263511 /nfs/dbraw/zinc/26/35/11/1410263511.db2.gz ZVGJNRIPPZDEND-OAHLLOKOSA-N 1 0 390.436 3.348 20 5 GGBDRO CCOC[C@H]1CC[N@H+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000093838995 1410273173 /nfs/dbraw/zinc/27/31/73/1410273173.db2.gz IEIDVCDGJCKHFN-LBPRGKRZSA-N 1 0 392.374 3.403 20 5 GGBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)N1CCOCC1 ZINC000176804543 1428471667 /nfs/dbraw/zinc/47/16/67/1428471667.db2.gz RSLDYLXBFBGNIC-QGZVFWFLSA-N 1 0 389.477 3.050 20 5 GGBDRO Cn1cc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000097025864 1410346433 /nfs/dbraw/zinc/34/64/33/1410346433.db2.gz RXEDPXBBPXFEPX-IBGZPJMESA-N 1 0 393.447 3.028 20 5 GGBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000097152752 1410355568 /nfs/dbraw/zinc/35/55/68/1410355568.db2.gz GEPOGWCPKINNDC-GFCCVEGCSA-N 1 0 378.429 3.052 20 5 GGBDRO CN(c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1)C1CC[NH+](C)CC1 ZINC000097207621 1410358220 /nfs/dbraw/zinc/35/82/20/1410358220.db2.gz LPSNZMSGGVIQKQ-UHFFFAOYSA-N 1 0 398.463 3.143 20 5 GGBDRO CN(c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1)C1CC[NH+](C)CC1 ZINC000097207713 1410358809 /nfs/dbraw/zinc/35/88/09/1410358809.db2.gz NJBQBCXZXNRKNI-UHFFFAOYSA-N 1 0 382.464 3.306 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC[N@H+](C)CC2)cc1 ZINC000097254879 1410360901 /nfs/dbraw/zinc/36/09/01/1410360901.db2.gz FXEHTNSSJKGYKK-UHFFFAOYSA-N 1 0 385.420 3.173 20 5 GGBDRO C[C@@H]1C[NH+](CC2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)C[C@@H](C)O1 ZINC000097570406 1410378291 /nfs/dbraw/zinc/37/82/91/1410378291.db2.gz LDBGXERRSCPRJV-ZIAGYGMSSA-N 1 0 395.887 3.210 20 5 GGBDRO C[C@@H]1C[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@@H+]1Cc1ccccc1 ZINC000176815928 1428479133 /nfs/dbraw/zinc/47/91/33/1428479133.db2.gz PTPOJFKZBLZSEN-NVXWUHKLSA-N 1 0 382.464 3.302 20 5 GGBDRO CC(=O)c1ccc(N2CCC([NH2+]CCOc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000097596023 1410383132 /nfs/dbraw/zinc/38/31/32/1410383132.db2.gz IXUNRAXVBFCRDS-UHFFFAOYSA-N 1 0 383.448 3.435 20 5 GGBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC([NH+](C)C)CC3)cc2[N+](=O)[O-])C1 ZINC000098093384 1410411154 /nfs/dbraw/zinc/41/11/54/1410411154.db2.gz ZUOTZVRXYYZISF-IYBDPMFKSA-N 1 0 388.512 3.243 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)NCC2CC[NH+](C)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000101522494 1410447212 /nfs/dbraw/zinc/44/72/12/1410447212.db2.gz PEGUNFJOGZAGJC-OAHLLOKOSA-N 1 0 397.479 3.235 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)NCC2CC[NH+](C)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000101522493 1410447272 /nfs/dbraw/zinc/44/72/72/1410447272.db2.gz PEGUNFJOGZAGJC-HNNXBMFYSA-N 1 0 397.479 3.235 20 5 GGBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCC3CC[NH+](C)CC3)cc2[N+](=O)[O-])C1 ZINC000101522921 1410447349 /nfs/dbraw/zinc/44/73/49/1410447349.db2.gz JBWLFKBRCZFIBO-HZPDHXFCSA-N 1 0 388.512 3.149 20 5 GGBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCC3CC[NH+](C)CC3)cc2[N+](=O)[O-])C1 ZINC000101522919 1410447384 /nfs/dbraw/zinc/44/73/84/1410447384.db2.gz JBWLFKBRCZFIBO-IYBDPMFKSA-N 1 0 388.512 3.149 20 5 GGBDRO COc1cc(C[NH2+]C[C@@H](c2ccco2)N2CCCCC2)c([N+](=O)[O-])cc1O ZINC000101589032 1410473830 /nfs/dbraw/zinc/47/38/30/1410473830.db2.gz LFPSADXEQVPBBU-INIZCTEOSA-N 1 0 375.425 3.219 20 5 GGBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000101608994 1410478280 /nfs/dbraw/zinc/47/82/80/1410478280.db2.gz YURMFPCTRWHZKL-UHFFFAOYSA-N 1 0 396.491 3.445 20 5 GGBDRO O=C(Nc1ccc(F)cc1)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000101916892 1410521396 /nfs/dbraw/zinc/52/13/96/1410521396.db2.gz BLPMHWPCZJCYRZ-UHFFFAOYSA-N 1 0 387.411 3.463 20 5 GGBDRO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000101920261 1410524205 /nfs/dbraw/zinc/52/42/05/1410524205.db2.gz BPVBRRCVBHKPBB-INIZCTEOSA-N 1 0 388.399 3.009 20 5 GGBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000101980516 1410535731 /nfs/dbraw/zinc/53/57/31/1410535731.db2.gz YXQMPEYLZVMEQB-GOSISDBHSA-N 1 0 386.452 3.333 20 5 GGBDRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000176845820 1428498170 /nfs/dbraw/zinc/49/81/70/1428498170.db2.gz LIXRMDNMADGKCS-UHFFFAOYSA-N 1 0 397.475 3.396 20 5 GGBDRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000176845663 1428498189 /nfs/dbraw/zinc/49/81/89/1428498189.db2.gz RKBVPZMXOQSLTK-UHFFFAOYSA-N 1 0 397.475 3.396 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000102230586 1410584058 /nfs/dbraw/zinc/58/40/58/1410584058.db2.gz XDOZAWOQPXVODH-INIZCTEOSA-N 1 0 399.495 3.217 20 5 GGBDRO CCN(CCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)S(C)(=O)=O ZINC000102423772 1410627490 /nfs/dbraw/zinc/62/74/90/1410627490.db2.gz SLHWAQCAFKVARG-UHFFFAOYSA-N 1 0 397.522 3.085 20 5 GGBDRO CN(C)C(=O)CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000102426000 1410627571 /nfs/dbraw/zinc/62/75/71/1410627571.db2.gz ZOTOTAUOCQOPBQ-UHFFFAOYSA-N 1 0 393.447 3.015 20 5 GGBDRO C[C@H]1C[NH+](CC2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000102648439 1410684665 /nfs/dbraw/zinc/68/46/65/1410684665.db2.gz IFIMEUGTPXOSJU-KBPBESRZSA-N 1 0 395.887 3.210 20 5 GGBDRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000102691150 1410700026 /nfs/dbraw/zinc/70/00/26/1410700026.db2.gz MBWGACWJNAIRQW-FQEVSTJZSA-N 1 0 385.420 3.291 20 5 GGBDRO COCCC[N@@H+]1Cc2cccc(N[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)c2C1 ZINC000102779271 1410747361 /nfs/dbraw/zinc/74/73/61/1410747361.db2.gz AAEBIIISCXNQGJ-OAHLLOKOSA-N 1 0 398.463 3.386 20 5 GGBDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2F)CC1 ZINC000102911276 1410806738 /nfs/dbraw/zinc/80/67/38/1410806738.db2.gz YQIYFCPJOBCMFH-UHFFFAOYSA-N 1 0 376.388 3.110 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC(CC[NH+](C)C)CC2)cc1SC ZINC000103206645 1410837845 /nfs/dbraw/zinc/83/78/45/1410837845.db2.gz QTLZTDRJLSKQBU-UHFFFAOYSA-N 1 0 381.498 3.129 20 5 GGBDRO C[NH+]1CCC(Nc2ccccc2NC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000103251617 1410840927 /nfs/dbraw/zinc/84/09/27/1410840927.db2.gz HDRQNVOOVLCSMS-UHFFFAOYSA-N 1 0 384.436 3.118 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2cnn(CN3CC[NH+](CCc4ccccc4)CC3)c2)cc1 ZINC000103457638 1410859202 /nfs/dbraw/zinc/85/92/02/1410859202.db2.gz JZNORRCHKSSVLW-UHFFFAOYSA-N 1 0 391.475 3.276 20 5 GGBDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000103458174 1410859386 /nfs/dbraw/zinc/85/93/86/1410859386.db2.gz UXZIVRMVMVIVTB-FUHWJXTLSA-N 1 0 399.495 3.433 20 5 GGBDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000103458179 1410859462 /nfs/dbraw/zinc/85/94/62/1410859462.db2.gz UCNQXOIAWTYFPC-KRWDZBQOSA-N 1 0 385.468 3.044 20 5 GGBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000104661006 1410922187 /nfs/dbraw/zinc/92/21/87/1410922187.db2.gz BFQWGVFONUNBSK-UHFFFAOYSA-N 1 0 382.464 3.055 20 5 GGBDRO CNC(=O)c1ccc(C[N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000104673420 1410925459 /nfs/dbraw/zinc/92/54/59/1410925459.db2.gz YDZWEOGMKQJXFQ-UHFFFAOYSA-N 1 0 394.431 3.284 20 5 GGBDRO CCn1cnnc1[C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104681905 1410926106 /nfs/dbraw/zinc/92/61/06/1410926106.db2.gz MHWGHEKXCSKMSI-MRXNPFEDSA-N 1 0 396.451 3.283 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000104970171 1411005887 /nfs/dbraw/zinc/00/58/87/1411005887.db2.gz OJBUUFIEZXWORV-UHFFFAOYSA-N 1 0 398.463 3.182 20 5 GGBDRO COCCNc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000105463883 1411068781 /nfs/dbraw/zinc/06/87/81/1411068781.db2.gz WAGGDSMZTBNHEA-UHFFFAOYSA-N 1 0 395.463 3.343 20 5 GGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](c2cccc(Cl)c2)N2CCOCC2)cs1 ZINC000105485910 1411071657 /nfs/dbraw/zinc/07/16/57/1411071657.db2.gz DZLOWUAJOTZHLK-MRXNPFEDSA-N 1 0 381.885 3.473 20 5 GGBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)[C@H](C)N3CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000105500731 1411073555 /nfs/dbraw/zinc/07/35/55/1411073555.db2.gz HDMCJKRZFLWDHM-GJZGRUSLSA-N 1 0 389.452 3.062 20 5 GGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000105542635 1411082253 /nfs/dbraw/zinc/08/22/53/1411082253.db2.gz CYFPYVRGHLSJOW-QGZVFWFLSA-N 1 0 382.464 3.130 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCC(Nc4cccnn4)CC3)o2)c1 ZINC000106080140 1411166173 /nfs/dbraw/zinc/16/61/73/1411166173.db2.gz JIPFDRWMOQIXCO-UHFFFAOYSA-N 1 0 394.435 3.159 20 5 GGBDRO Cn1cc(C[NH2+]CCOc2ccc(F)c(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000106470940 1411223062 /nfs/dbraw/zinc/22/30/62/1411223062.db2.gz IJFUYAMBMSITRK-UHFFFAOYSA-N 1 0 388.374 3.442 20 5 GGBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000106788816 1411301673 /nfs/dbraw/zinc/30/16/73/1411301673.db2.gz GCPPSILBNSBUIK-AWEZNQCLSA-N 1 0 386.477 3.465 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000107619476 1411393961 /nfs/dbraw/zinc/39/39/61/1411393961.db2.gz PQTYZMOOTHQVQX-OAHLLOKOSA-N 1 0 382.464 3.481 20 5 GGBDRO O=C(NCC[NH+]1CCCCCC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000107706002 1411399978 /nfs/dbraw/zinc/39/99/78/1411399978.db2.gz OVVHDFOXTVOSKN-UHFFFAOYSA-N 1 0 389.374 3.142 20 5 GGBDRO CC(=O)N1CCN(C(=O)CC[NH2+]Cc2c3ccccc3cc3ccccc32)CC1 ZINC000107714616 1411400898 /nfs/dbraw/zinc/40/08/98/1411400898.db2.gz RHKJJBRDUALCKH-UHFFFAOYSA-N 1 0 389.499 3.163 20 5 GGBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000108335682 1411475753 /nfs/dbraw/zinc/47/57/53/1411475753.db2.gz KZJOZRHDORRYAZ-KRWDZBQOSA-N 1 0 382.464 3.279 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)NC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000108336704 1411476137 /nfs/dbraw/zinc/47/61/37/1411476137.db2.gz PYOKMIVEEZBSRY-HZPDHXFCSA-N 1 0 397.479 3.235 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000108336697 1411476337 /nfs/dbraw/zinc/47/63/37/1411476337.db2.gz PYOKMIVEEZBSRY-CVEARBPZSA-N 1 0 397.479 3.235 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000108349976 1411478807 /nfs/dbraw/zinc/47/88/07/1411478807.db2.gz SYKQFODEYBMDAM-SFHVURJKSA-N 1 0 382.464 3.213 20 5 GGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000108553164 1411537242 /nfs/dbraw/zinc/53/72/42/1411537242.db2.gz VQWQTIJMVRRCOZ-KRWDZBQOSA-N 1 0 377.441 3.489 20 5 GGBDRO COc1cc(C(=O)Nc2ccc(-n3ccnc3)c(F)c2)c([N+](=O)[O-])cc1OC ZINC000108581298 1411544138 /nfs/dbraw/zinc/54/41/38/1411544138.db2.gz ZYOZKPRTVGUTED-UHFFFAOYSA-N 1 0 386.339 3.189 20 5 GGBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000108783114 1411608508 /nfs/dbraw/zinc/60/85/08/1411608508.db2.gz LMSILELOAWQHQR-KRWDZBQOSA-N 1 0 394.475 3.421 20 5 GGBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000108784886 1411608956 /nfs/dbraw/zinc/60/89/56/1411608956.db2.gz WKLSZWSCGVXNHZ-MRXNPFEDSA-N 1 0 386.496 3.045 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CC[NH+](CCc4cccs4)CC3)n2)c1 ZINC000108972993 1411652079 /nfs/dbraw/zinc/65/20/79/1411652079.db2.gz PIDAKGCGASBIFU-UHFFFAOYSA-N 1 0 399.476 3.067 20 5 GGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H](c4nnc5ccccn54)C3)nc2c1 ZINC000177091916 1428585283 /nfs/dbraw/zinc/58/52/83/1428585283.db2.gz DDJVLZUEIXZKQK-CYBMUJFWSA-N 1 0 378.392 3.158 20 5 GGBDRO O=C1[C@H]([NH+]2CCC(c3ccc(O)cc3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109130693 1411691354 /nfs/dbraw/zinc/69/13/54/1411691354.db2.gz NFEKSTVDBXUXAP-HXUWFJFHSA-N 1 0 381.432 3.285 20 5 GGBDRO COc1ccc(C(C)(C)C[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000109147078 1411694064 /nfs/dbraw/zinc/69/40/64/1411694064.db2.gz LHKBYZBRVDTGGO-IBGZPJMESA-N 1 0 383.448 3.276 20 5 GGBDRO CCOc1ccc(C(=O)NC[C@H](c2ccco2)[NH+](CC)CC)cc1[N+](=O)[O-] ZINC000109301725 1411736099 /nfs/dbraw/zinc/73/60/99/1411736099.db2.gz GLAKMSZDEWKZNQ-MRXNPFEDSA-N 1 0 375.425 3.399 20 5 GGBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000109313029 1411739074 /nfs/dbraw/zinc/73/90/74/1411739074.db2.gz CJIFIHZXFPADNC-KRWDZBQOSA-N 1 0 386.427 3.256 20 5 GGBDRO Cc1ccc([C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000109503071 1411775019 /nfs/dbraw/zinc/77/50/19/1411775019.db2.gz IQIZNHHILUGPPB-IBGZPJMESA-N 1 0 383.448 3.235 20 5 GGBDRO COc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1[N+](=O)[O-] ZINC000109564116 1411787310 /nfs/dbraw/zinc/78/73/10/1411787310.db2.gz TWOGRBWUZLTMBY-CQSZACIVSA-N 1 0 389.477 3.307 20 5 GGBDRO Cc1nc([N+](=O)[O-])cn1Cc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000109570007 1411789562 /nfs/dbraw/zinc/78/95/62/1411789562.db2.gz FTJSZHHFFOIVCR-UHFFFAOYSA-N 1 0 382.424 3.184 20 5 GGBDRO CCCc1n[nH]c(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000109620132 1411800869 /nfs/dbraw/zinc/80/08/69/1411800869.db2.gz QLXOLPSUKTYLML-SFHVURJKSA-N 1 0 399.495 3.473 20 5 GGBDRO CCCc1n[nH]c(C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000109620135 1411800877 /nfs/dbraw/zinc/80/08/77/1411800877.db2.gz QLXOLPSUKTYLML-GOSISDBHSA-N 1 0 399.495 3.473 20 5 GGBDRO CCCc1n[nH]c(C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000109622071 1411801033 /nfs/dbraw/zinc/80/10/33/1411801033.db2.gz WWHZCNHZYLOFHK-UHFFFAOYSA-N 1 0 399.495 3.255 20 5 GGBDRO CCCc1n[nH]c(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)c1[N+](=O)[O-] ZINC000109692708 1411804373 /nfs/dbraw/zinc/80/43/73/1411804373.db2.gz SDWJHIBBFHSYHY-HNNXBMFYSA-N 1 0 377.489 3.045 20 5 GGBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000109698416 1411804926 /nfs/dbraw/zinc/80/49/26/1411804926.db2.gz KTPWBOXUIJQABM-INIZCTEOSA-N 1 0 399.495 3.270 20 5 GGBDRO C[NH+]1CCN(Cc2cccc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])c2)CC1 ZINC000110247588 1411840144 /nfs/dbraw/zinc/84/01/44/1411840144.db2.gz YIKWECPPOINXSG-UHFFFAOYSA-N 1 0 388.855 3.248 20 5 GGBDRO C[C@@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[N@H+](C)Cc1ccccc1 ZINC000110350471 1411845978 /nfs/dbraw/zinc/84/59/78/1411845978.db2.gz OFASVOANDHIWGC-INIZCTEOSA-N 1 0 393.447 3.031 20 5 GGBDRO C[C@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[N@H+](C)Cc1ccccc1 ZINC000110353013 1411846372 /nfs/dbraw/zinc/84/63/72/1411846372.db2.gz RAFBVQGLSKFEHN-MRXNPFEDSA-N 1 0 393.447 3.031 20 5 GGBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1)C(C)C ZINC000110423905 1411850068 /nfs/dbraw/zinc/85/00/68/1411850068.db2.gz ZOIUHBGRHNSMLP-UHFFFAOYSA-N 1 0 376.501 3.291 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H]2CC[N@H+](C)C2)cc1 ZINC000110652489 1411862306 /nfs/dbraw/zinc/86/23/06/1411862306.db2.gz FFSYLNOLULOIKZ-AWEZNQCLSA-N 1 0 385.420 3.077 20 5 GGBDRO CCCCN(C(=O)c1c([N+](=O)[O-])c(C)nn1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000110713695 1411865236 /nfs/dbraw/zinc/86/52/36/1411865236.db2.gz OPNRGWCUDILHHW-UHFFFAOYSA-N 1 0 379.505 3.188 20 5 GGBDRO CC[NH+](CC)[C@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000111034381 1411883111 /nfs/dbraw/zinc/88/31/11/1411883111.db2.gz XESLBEKQCSPEBU-NRFANRHFSA-N 1 0 396.491 3.327 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000111048954 1411884638 /nfs/dbraw/zinc/88/46/38/1411884638.db2.gz LLGWICWVOYBUGO-OAHLLOKOSA-N 1 0 391.493 3.311 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@@H]3[C@H](O)C(F)(F)F)o2)c1 ZINC000111232034 1411896580 /nfs/dbraw/zinc/89/65/80/1411896580.db2.gz XCQZHQLCXKRQDV-CJNGLKHVSA-N 1 0 385.342 3.180 20 5 GGBDRO CN(C(=O)C[N@@H+](Cc1ccccc1)CC1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000111261556 1411898371 /nfs/dbraw/zinc/89/83/71/1411898371.db2.gz WIKJQYJCESYPGC-UHFFFAOYSA-N 1 0 397.475 3.486 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000111409295 1411946037 /nfs/dbraw/zinc/94/60/37/1411946037.db2.gz NEBNMYPUCUEAIW-UHFFFAOYSA-N 1 0 383.448 3.453 20 5 GGBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177177742 1428616746 /nfs/dbraw/zinc/61/67/46/1428616746.db2.gz GJJUVGXSOODECT-NVXWUHKLSA-N 1 0 386.496 3.186 20 5 GGBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000111995958 1412064804 /nfs/dbraw/zinc/06/48/04/1412064804.db2.gz VQCWCRIKFYHGPM-UHFFFAOYSA-N 1 0 393.465 3.035 20 5 GGBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000112078338 1412074463 /nfs/dbraw/zinc/07/44/63/1412074463.db2.gz NGUYLWRQHUMMJK-IAGOWNOFSA-N 1 0 383.496 3.138 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)c1 ZINC000112187043 1412090603 /nfs/dbraw/zinc/09/06/03/1412090603.db2.gz VZLRVLWJXDKLCI-UHFFFAOYSA-N 1 0 393.509 3.085 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000112821332 1412221760 /nfs/dbraw/zinc/22/17/60/1412221760.db2.gz ZKJQYWBHBWMZKT-UHFFFAOYSA-N 1 0 393.390 3.086 20 5 GGBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)CC1 ZINC000112918542 1412240467 /nfs/dbraw/zinc/24/04/67/1412240467.db2.gz OYYMFWUXLRPVBZ-UHFFFAOYSA-N 1 0 392.456 3.396 20 5 GGBDRO C[NH+](C)CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 ZINC000112924610 1412242059 /nfs/dbraw/zinc/24/20/59/1412242059.db2.gz YYTQWKMOKJVSKJ-UHFFFAOYSA-N 1 0 388.512 3.389 20 5 GGBDRO CN(C(=O)COc1cccc([N+](=O)[O-])c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113094147 1412261568 /nfs/dbraw/zinc/26/15/68/1412261568.db2.gz GNKOKKDDZLBPLA-UHFFFAOYSA-N 1 0 383.448 3.097 20 5 GGBDRO CCC(CC)(CNC(=O)c1c([N+](=O)[O-])c(C)nn1C)[NH2+][C@@H](C)c1ccccc1 ZINC000113189834 1412271617 /nfs/dbraw/zinc/27/16/17/1412271617.db2.gz AKURWJKEXCOVGL-AWEZNQCLSA-N 1 0 387.484 3.276 20 5 GGBDRO C[C@H]([NH2+]C1(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCCC1)c1ccccc1 ZINC000113189574 1412271785 /nfs/dbraw/zinc/27/17/85/1412271785.db2.gz DNQXLLNNVSJKSK-INIZCTEOSA-N 1 0 399.495 3.306 20 5 GGBDRO C[C@@H]([NH2+]C1(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCCC1)c1ccccc1 ZINC000113189576 1412271860 /nfs/dbraw/zinc/27/18/60/1412271860.db2.gz DNQXLLNNVSJKSK-MRXNPFEDSA-N 1 0 399.495 3.306 20 5 GGBDRO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113208179 1412274997 /nfs/dbraw/zinc/27/49/97/1412274997.db2.gz CYHULMLFMSHASK-UHFFFAOYSA-N 1 0 386.427 3.053 20 5 GGBDRO CCOC(=O)N1CCC([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000113318586 1412291838 /nfs/dbraw/zinc/29/18/38/1412291838.db2.gz GKZTYOMAXHTVMB-UHFFFAOYSA-N 1 0 390.465 3.429 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000113900383 1412348024 /nfs/dbraw/zinc/34/80/24/1412348024.db2.gz NICIVYJEWYREAO-KBPBESRZSA-N 1 0 378.448 3.043 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000113901313 1412348167 /nfs/dbraw/zinc/34/81/67/1412348167.db2.gz WPHGZRBARYYATI-GJZGRUSLSA-N 1 0 390.440 3.230 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000113934722 1412355325 /nfs/dbraw/zinc/35/53/25/1412355325.db2.gz QGDSOFKVRGTEQL-ZWKOTPCHSA-N 1 0 388.512 3.144 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000113945229 1412357382 /nfs/dbraw/zinc/35/73/82/1412357382.db2.gz CQFCUFXIEJZSCM-DLBZAZTESA-N 1 0 395.525 3.178 20 5 GGBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000113945115 1412357417 /nfs/dbraw/zinc/35/74/17/1412357417.db2.gz ZLGDSYUYGQRFTQ-IRXDYDNUSA-N 1 0 395.525 3.178 20 5 GGBDRO Cc1c(NC(=O)CC[N@H+](CCO)[C@@H]2CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000114192052 1412391897 /nfs/dbraw/zinc/39/18/97/1412391897.db2.gz KEWLCVSNPKMEAH-HXUWFJFHSA-N 1 0 383.448 3.214 20 5 GGBDRO Cc1c(NC(=O)CC[N@H+](CCO)[C@H]2CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000114192055 1412392073 /nfs/dbraw/zinc/39/20/73/1412392073.db2.gz KEWLCVSNPKMEAH-FQEVSTJZSA-N 1 0 383.448 3.214 20 5 GGBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@H](C[NH+](C)C)C3)cc2[N+](=O)[O-])C1 ZINC000114399954 1412427001 /nfs/dbraw/zinc/42/70/01/1412427001.db2.gz PQCOJQZHPQAKQO-IXDOHACOSA-N 1 0 388.512 3.101 20 5 GGBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000114400915 1412427013 /nfs/dbraw/zinc/42/70/13/1412427013.db2.gz IAGGBDAGDLKIRO-QGZVFWFLSA-N 1 0 382.464 3.231 20 5 GGBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000114400913 1412427213 /nfs/dbraw/zinc/42/72/13/1412427213.db2.gz IAGGBDAGDLKIRO-KRWDZBQOSA-N 1 0 382.464 3.231 20 5 GGBDRO CCCC[N@H+](C)CC1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000114475703 1412441409 /nfs/dbraw/zinc/44/14/09/1412441409.db2.gz UAPYAPOXHCJLMC-UHFFFAOYSA-N 1 0 376.501 3.286 20 5 GGBDRO COc1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000114644499 1412485043 /nfs/dbraw/zinc/48/50/43/1412485043.db2.gz FQOAUZVRPPSTFM-MRXNPFEDSA-N 1 0 399.447 3.006 20 5 GGBDRO COc1cc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000177269996 1428664082 /nfs/dbraw/zinc/66/40/82/1428664082.db2.gz RKTQHISXNGZRRI-UHFFFAOYSA-N 1 0 391.468 3.139 20 5 GGBDRO CC1CCC([NH+]2CCN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)CC2)CC1 ZINC000115255112 1412621881 /nfs/dbraw/zinc/62/18/81/1412621881.db2.gz NZAGMAQZSMZYEW-UHFFFAOYSA-N 1 0 397.479 3.117 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(SC)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000115271012 1412627953 /nfs/dbraw/zinc/62/79/53/1412627953.db2.gz AYEAJAZNCCREHW-RHSMWYFYSA-N 1 0 395.525 3.184 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(OCc3ccccc3)CC2)c1 ZINC000115359230 1412658689 /nfs/dbraw/zinc/65/86/89/1412658689.db2.gz WSFCLMNSUOCXMZ-LJQANCHMSA-N 1 0 386.448 3.016 20 5 GGBDRO C[C@H]1CCCN(c2ccc(C(=O)N(C)C[C@@H]3CCC[N@H+](C)C3)cc2[N+](=O)[O-])C1 ZINC000115435104 1412674563 /nfs/dbraw/zinc/67/45/63/1412674563.db2.gz YBMVODPZHOPYGO-DLBZAZTESA-N 1 0 388.512 3.245 20 5 GGBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000115440811 1412677409 /nfs/dbraw/zinc/67/74/09/1412677409.db2.gz SKVRWHWWGMREJG-QGZVFWFLSA-N 1 0 388.512 3.245 20 5 GGBDRO CC1CCN(c2ccc(C(=O)N(C)C[C@H]3CCC[N@H+](C)C3)cc2[N+](=O)[O-])CC1 ZINC000115440973 1412678036 /nfs/dbraw/zinc/67/80/36/1412678036.db2.gz JQKLURDNPVCYLA-KRWDZBQOSA-N 1 0 388.512 3.245 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000115487275 1412690208 /nfs/dbraw/zinc/69/02/08/1412690208.db2.gz CWIFBTIQEPDIBV-CZUORRHYSA-N 1 0 383.876 3.115 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH+](C2CCC(C)CC2)CC1 ZINC000115567935 1412713564 /nfs/dbraw/zinc/71/35/64/1412713564.db2.gz SMQWFFORDOXZEE-UHFFFAOYSA-N 1 0 388.512 3.428 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH+](C2CCC(C)CC2)CC1 ZINC000115566373 1412713831 /nfs/dbraw/zinc/71/38/31/1412713831.db2.gz WMAREMYLIPFRMB-UHFFFAOYSA-N 1 0 388.512 3.428 20 5 GGBDRO CC(C)[NH+]1CCC(N(C)C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000115584675 1412721451 /nfs/dbraw/zinc/72/14/51/1412721451.db2.gz XVBHAUQROOIHFX-UHFFFAOYSA-N 1 0 391.515 3.486 20 5 GGBDRO CCOC(=O)C[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CCCC1 ZINC000177296623 1428676425 /nfs/dbraw/zinc/67/64/25/1428676425.db2.gz VDDCFXZFWKXDCW-UHFFFAOYSA-N 1 0 377.441 3.040 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000115858332 1412803026 /nfs/dbraw/zinc/80/30/26/1412803026.db2.gz LWENOKRVPBCSOI-INIZCTEOSA-N 1 0 375.450 3.232 20 5 GGBDRO CCOc1cc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000115904825 1412813617 /nfs/dbraw/zinc/81/36/17/1412813617.db2.gz VSTUMLZDYICGDB-VBKZILBWSA-N 1 0 393.484 3.242 20 5 GGBDRO CCOc1cc(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000115904822 1412813623 /nfs/dbraw/zinc/81/36/23/1412813623.db2.gz VSTUMLZDYICGDB-XOBRGWDASA-N 1 0 393.484 3.242 20 5 GGBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000115916409 1412815227 /nfs/dbraw/zinc/81/52/27/1412815227.db2.gz PEDDKFGHXGUJOI-HZPDHXFCSA-N 1 0 377.485 3.236 20 5 GGBDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000116064543 1412826953 /nfs/dbraw/zinc/82/69/53/1412826953.db2.gz YGZAUJXSDSBGDU-UHFFFAOYSA-N 1 0 389.427 3.093 20 5 GGBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000116067079 1412827326 /nfs/dbraw/zinc/82/73/26/1412827326.db2.gz ICBAFSCYGKFRKD-INIZCTEOSA-N 1 0 383.448 3.315 20 5 GGBDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000116073414 1412828625 /nfs/dbraw/zinc/82/86/25/1412828625.db2.gz VYAKQASCWNTTGN-UHFFFAOYSA-N 1 0 377.391 3.006 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1OC ZINC000116125675 1412834048 /nfs/dbraw/zinc/83/40/48/1412834048.db2.gz OXHUWCUNKOSIBX-QGZVFWFLSA-N 1 0 381.473 3.098 20 5 GGBDRO Cc1c(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000116126960 1412834315 /nfs/dbraw/zinc/83/43/15/1412834315.db2.gz HLMLETBZZKIHJM-HNNXBMFYSA-N 1 0 380.445 3.216 20 5 GGBDRO CCOc1cc(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000116129881 1412834694 /nfs/dbraw/zinc/83/46/94/1412834694.db2.gz RFXDAQVAXGUNRP-QGZVFWFLSA-N 1 0 381.473 3.098 20 5 GGBDRO C[NH+](C)CC[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(C)(C)C ZINC000116130105 1412834816 /nfs/dbraw/zinc/83/48/16/1412834816.db2.gz GCRYKJZWSPQITL-GOSISDBHSA-N 1 0 376.501 3.291 20 5 GGBDRO O=[N+]([O-])c1cccc(CN2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000116287287 1412848080 /nfs/dbraw/zinc/84/80/80/1412848080.db2.gz MNNZSZDGTMHZDU-HXUWFJFHSA-N 1 0 395.507 3.024 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)c1 ZINC000116816301 1412929376 /nfs/dbraw/zinc/92/93/76/1412929376.db2.gz CLCMFEWXSXWKKT-UHFFFAOYSA-N 1 0 393.827 3.450 20 5 GGBDRO COc1ccc(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000116816978 1412930292 /nfs/dbraw/zinc/93/02/92/1412930292.db2.gz WJRCLKGUZOUJIP-UHFFFAOYSA-N 1 0 393.827 3.450 20 5 GGBDRO C[NH+](C)CCOc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000116816732 1412930483 /nfs/dbraw/zinc/93/04/83/1412930483.db2.gz MSTRECQUWNULKW-UHFFFAOYSA-N 1 0 377.828 3.370 20 5 GGBDRO O=C(O[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000117093088 1412998224 /nfs/dbraw/zinc/99/82/24/1412998224.db2.gz FEBIPOCTFFSFFH-GOSISDBHSA-N 1 0 392.415 3.212 20 5 GGBDRO O=C(O[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000117100422 1413000045 /nfs/dbraw/zinc/00/00/45/1413000045.db2.gz FEBIPOCTFFSFFH-SFHVURJKSA-N 1 0 392.415 3.212 20 5 GGBDRO COCC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)Cc1ccccc1 ZINC000117333678 1413026722 /nfs/dbraw/zinc/02/67/22/1413026722.db2.gz GRFDPZCPQQYTGX-UHFFFAOYSA-N 1 0 385.420 3.041 20 5 GGBDRO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000117600252 1413054927 /nfs/dbraw/zinc/05/49/27/1413054927.db2.gz RZYUPIXTZFEPKU-AWEZNQCLSA-N 1 0 387.867 3.354 20 5 GGBDRO C[C@@H]1CCC[C@](CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)([NH+](C)C)C1 ZINC000117704707 1413067685 /nfs/dbraw/zinc/06/76/85/1413067685.db2.gz WDTZWCKNLPZYBR-QRWLVFNGSA-N 1 0 385.468 3.021 20 5 GGBDRO C[C@H]1CCC[C@](CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)([NH+](C)C)C1 ZINC000117704710 1413067816 /nfs/dbraw/zinc/06/78/16/1413067816.db2.gz WDTZWCKNLPZYBR-YWZLYKJASA-N 1 0 385.468 3.021 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000117746553 1413074460 /nfs/dbraw/zinc/07/44/60/1413074460.db2.gz LUULGTGFNIWHCS-KRWDZBQOSA-N 1 0 375.856 3.080 20 5 GGBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)CC1 ZINC000117985520 1413095157 /nfs/dbraw/zinc/09/51/57/1413095157.db2.gz HRHHMBHFEFXYHK-UHFFFAOYSA-N 1 0 392.456 3.396 20 5 GGBDRO C[NH+](C)CC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000117989965 1413095173 /nfs/dbraw/zinc/09/51/73/1413095173.db2.gz KXIUZDKPOPRLDJ-UHFFFAOYSA-N 1 0 381.791 3.357 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000177372365 1428708680 /nfs/dbraw/zinc/70/86/80/1428708680.db2.gz VSXZKAZPLSXIJA-MRXNPFEDSA-N 1 0 379.457 3.069 20 5 GGBDRO CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866278 1413253865 /nfs/dbraw/zinc/25/38/65/1413253865.db2.gz QVYHMPKWBWWFPR-PXNSSMCTSA-N 1 0 397.479 3.086 20 5 GGBDRO CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866276 1413254040 /nfs/dbraw/zinc/25/40/40/1413254040.db2.gz QVYHMPKWBWWFPR-FXAWDEMLSA-N 1 0 397.479 3.086 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(OC(C)(C)C)CC1 ZINC000119000379 1413299676 /nfs/dbraw/zinc/29/96/76/1413299676.db2.gz JLGYAGMKOBMUKW-UHFFFAOYSA-N 1 0 379.457 3.212 20 5 GGBDRO C[C@@]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)(C(N)=O)c1cccc(Cl)c1 ZINC000177403726 1428720709 /nfs/dbraw/zinc/72/07/09/1428720709.db2.gz ITEAZCPNDIVVRA-SFHVURJKSA-N 1 0 377.828 3.007 20 5 GGBDRO COC(=O)[C@@H](C)[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000177411794 1428724802 /nfs/dbraw/zinc/72/48/02/1428724802.db2.gz BGMCBLBTWPUJNC-YWZLYKJASA-N 1 0 399.447 3.372 20 5 GGBDRO COC(=O)[C@H](C)[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000177411768 1428724490 /nfs/dbraw/zinc/72/44/90/1428724490.db2.gz BGMCBLBTWPUJNC-QRWLVFNGSA-N 1 0 399.447 3.372 20 5 GGBDRO CC(C)(C)[NH+]1CCC(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000119553271 1413483483 /nfs/dbraw/zinc/48/34/83/1413483483.db2.gz GHXMDNDNTBYBRD-UHFFFAOYSA-N 1 0 376.501 3.480 20 5 GGBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000119566406 1413487801 /nfs/dbraw/zinc/48/78/01/1413487801.db2.gz BUKSZZKSPVNYDX-UHFFFAOYSA-N 1 0 385.439 3.399 20 5 GGBDRO C[C@H]1CN(C(C)(C)C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)O1 ZINC000119567349 1413488634 /nfs/dbraw/zinc/48/86/34/1413488634.db2.gz LXVNBBYTKMXCAU-IRXDYDNUSA-N 1 0 390.528 3.041 20 5 GGBDRO C[C@@H]1CN(C(C)(C)C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H](C)O1 ZINC000119567468 1413488687 /nfs/dbraw/zinc/48/86/87/1413488687.db2.gz LXVNBBYTKMXCAU-IAGOWNOFSA-N 1 0 390.528 3.041 20 5 GGBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000119672425 1413525635 /nfs/dbraw/zinc/52/56/35/1413525635.db2.gz JRANZYILRJGPFW-QGZVFWFLSA-N 1 0 388.512 3.293 20 5 GGBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000177442000 1428738334 /nfs/dbraw/zinc/73/83/34/1428738334.db2.gz RSBKJASNMCZJID-IRXDYDNUSA-N 1 0 377.488 3.144 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000119851289 1413593060 /nfs/dbraw/zinc/59/30/60/1413593060.db2.gz HLJGSNOLIDMAGY-KXBFYZLASA-N 1 0 390.443 3.393 20 5 GGBDRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000177445907 1428739436 /nfs/dbraw/zinc/73/94/36/1428739436.db2.gz KCLDMJRJYNSZMC-UHFFFAOYSA-N 1 0 386.496 3.332 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000119887241 1413605772 /nfs/dbraw/zinc/60/57/72/1413605772.db2.gz LAIUHHYCVYICBC-UHFFFAOYSA-N 1 0 378.473 3.223 20 5 GGBDRO CCC[C@H]1CN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC[N@@H+]1CCOC ZINC000119937199 1413623763 /nfs/dbraw/zinc/62/37/63/1413623763.db2.gz DXJGDIKGTHGMCH-INIZCTEOSA-N 1 0 378.473 3.176 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000119941783 1413625683 /nfs/dbraw/zinc/62/56/83/1413625683.db2.gz LGYYYXNCDQSWFV-SJCJKPOMSA-N 1 0 375.375 3.123 20 5 GGBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000119963227 1413633929 /nfs/dbraw/zinc/63/39/29/1413633929.db2.gz NDJYQYVFTMQJKK-GUYCJALGSA-N 1 0 398.419 3.062 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000120021678 1413656294 /nfs/dbraw/zinc/65/62/94/1413656294.db2.gz GKBMNAHNCVWNHZ-HKUYNNGSSA-N 1 0 390.484 3.101 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000120021848 1413656309 /nfs/dbraw/zinc/65/63/09/1413656309.db2.gz GKBMNAHNCVWNHZ-IEBWSBKVSA-N 1 0 390.484 3.101 20 5 GGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000120070997 1413675999 /nfs/dbraw/zinc/67/59/99/1413675999.db2.gz PUWQBUGVLAOPSF-ZDUSSCGKSA-N 1 0 399.373 3.150 20 5 GGBDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1[N+](=O)[O-] ZINC000120132409 1413701038 /nfs/dbraw/zinc/70/10/38/1413701038.db2.gz NSSPJVBVSRFPTL-MRXNPFEDSA-N 1 0 385.468 3.301 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000120134929 1413701403 /nfs/dbraw/zinc/70/14/03/1413701403.db2.gz RIGXRRAHVNTDGI-UHFFFAOYSA-N 1 0 383.452 3.393 20 5 GGBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000120187022 1413723298 /nfs/dbraw/zinc/72/32/98/1413723298.db2.gz ZJBZRFUFVIXRQD-GOSISDBHSA-N 1 0 376.501 3.337 20 5 GGBDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000120204254 1413729653 /nfs/dbraw/zinc/72/96/53/1413729653.db2.gz RRVXJDWSEDTPJJ-UHFFFAOYSA-N 1 0 378.816 3.235 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1cc(Cl)cn1C ZINC000120233056 1413744206 /nfs/dbraw/zinc/74/42/06/1413744206.db2.gz GTEIYRUAVLTYIK-UHFFFAOYSA-N 1 0 380.832 3.056 20 5 GGBDRO C[C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)CN1CCOCC1 ZINC000120247511 1413750864 /nfs/dbraw/zinc/75/08/64/1413750864.db2.gz KQXMDBBPYXVCMC-OAHLLOKOSA-N 1 0 375.494 3.381 20 5 GGBDRO C[N@H+](CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Cc1ccc(F)cc1 ZINC000120397515 1413809340 /nfs/dbraw/zinc/80/93/40/1413809340.db2.gz ZHXRDTSJQBSYIP-UHFFFAOYSA-N 1 0 384.411 3.006 20 5 GGBDRO C[C@H]1C[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000177475880 1428758279 /nfs/dbraw/zinc/75/82/79/1428758279.db2.gz MHKXQAQDILHDJO-WMZOPIPTSA-N 1 0 382.464 3.176 20 5 GGBDRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000120497291 1413830665 /nfs/dbraw/zinc/83/06/65/1413830665.db2.gz GXCCWVATWQJWJV-QGZVFWFLSA-N 1 0 380.404 3.303 20 5 GGBDRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000120497162 1413830687 /nfs/dbraw/zinc/83/06/87/1413830687.db2.gz GXCCWVATWQJWJV-KRWDZBQOSA-N 1 0 380.404 3.303 20 5 GGBDRO C[C@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@@H+]1Cc1ccccc1 ZINC000177477408 1428759074 /nfs/dbraw/zinc/75/90/74/1428759074.db2.gz DGSYRSIRFHHDSC-XJKSGUPXSA-N 1 0 386.427 3.099 20 5 GGBDRO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000177478771 1428759566 /nfs/dbraw/zinc/75/95/66/1428759566.db2.gz NPOLVYNFTFWFEB-ZBFHGGJFSA-N 1 0 385.468 3.053 20 5 GGBDRO C[C@H]1C[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1Cc1ccccc1 ZINC000177479042 1428759600 /nfs/dbraw/zinc/75/96/00/1428759600.db2.gz BYONJOYVAZFEIH-HOCLYGCPSA-N 1 0 393.447 3.254 20 5 GGBDRO C[C@@H]1C[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1Cc1ccccc1 ZINC000177478991 1428759775 /nfs/dbraw/zinc/75/97/75/1428759775.db2.gz BYONJOYVAZFEIH-GDBMZVCRSA-N 1 0 393.447 3.254 20 5 GGBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000120707348 1413880524 /nfs/dbraw/zinc/88/05/24/1413880524.db2.gz ZCIRIEHZTXLKIX-GFCCVEGCSA-N 1 0 386.399 3.296 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000120821257 1413914649 /nfs/dbraw/zinc/91/46/49/1413914649.db2.gz VJEDZUPLNJDTLY-UHFFFAOYSA-N 1 0 396.447 3.119 20 5 GGBDRO Cc1c(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cccc1[N+](=O)[O-] ZINC000120846006 1413924654 /nfs/dbraw/zinc/92/46/54/1413924654.db2.gz WUKUANMMUUHHED-UHFFFAOYSA-N 1 0 396.447 3.119 20 5 GGBDRO C[C@H]1C[NH+](CCC2CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000177495091 1428768783 /nfs/dbraw/zinc/76/87/83/1428768783.db2.gz RUVNKFUHUMDIIC-HOTGVXAUSA-N 1 0 379.476 3.445 20 5 GGBDRO CC[NH+](CC)[C@H](CNC(=O)COc1ccc([N+](=O)[O-])c(C)c1)c1ccco1 ZINC000121007543 1413975319 /nfs/dbraw/zinc/97/53/19/1413975319.db2.gz PFGVHVQGXGRPNY-QGZVFWFLSA-N 1 0 375.425 3.074 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000121027111 1413981542 /nfs/dbraw/zinc/98/15/42/1413981542.db2.gz QHGLFXLKPRDAJS-KRWDZBQOSA-N 1 0 382.464 3.130 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)Cc1ccccc1 ZINC000121033604 1413983866 /nfs/dbraw/zinc/98/38/66/1413983866.db2.gz KXVHVLHNWGECJO-MRXNPFEDSA-N 1 0 378.432 3.046 20 5 GGBDRO COc1cccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)[NH+](C)C)c1 ZINC000121039703 1413985928 /nfs/dbraw/zinc/98/59/28/1413985928.db2.gz FCMIKJDZWVSFRM-IBGZPJMESA-N 1 0 394.431 3.184 20 5 GGBDRO CC(C)[C@@H](CO)[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000121085538 1414002317 /nfs/dbraw/zinc/00/23/17/1414002317.db2.gz GUCOQXQCGNUSNG-OAQYLSRUSA-N 1 0 397.475 3.003 20 5 GGBDRO CC(C)[C@@H](CO)[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000121100521 1414007866 /nfs/dbraw/zinc/00/78/66/1414007866.db2.gz OVCAURYTNFBGJX-HXUWFJFHSA-N 1 0 385.464 3.077 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(OC2CCCC2)CC1 ZINC000121126716 1414017487 /nfs/dbraw/zinc/01/74/87/1414017487.db2.gz INBSCOVADQQYTP-UHFFFAOYSA-N 1 0 391.468 3.356 20 5 GGBDRO COc1cccc([C@@H](CNC(=O)c2cccc(C)c2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000121139439 1414021654 /nfs/dbraw/zinc/02/16/54/1414021654.db2.gz WMKYYNMBNVCSDC-LJQANCHMSA-N 1 0 383.448 3.479 20 5 GGBDRO COc1ccc(C[NH2+]C2CCN(C)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000121198194 1414041417 /nfs/dbraw/zinc/04/14/17/1414041417.db2.gz FJECZTGTOJAPIU-UHFFFAOYSA-N 1 0 385.464 3.366 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000121205708 1414043704 /nfs/dbraw/zinc/04/37/04/1414043704.db2.gz VDTBYERWQAZVMG-INIZCTEOSA-N 1 0 383.448 3.168 20 5 GGBDRO Cc1nn(CN2CCC(OC[C@H]3CCCCO3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121246008 1414057033 /nfs/dbraw/zinc/05/70/33/1414057033.db2.gz HHUHWGIJARDDSV-GOSISDBHSA-N 1 0 388.468 3.261 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)CC23CCCCC3)cc1OC ZINC000177515082 1428778073 /nfs/dbraw/zinc/77/80/73/1428778073.db2.gz NVJPQHZLQAWBCA-UHFFFAOYSA-N 1 0 391.468 3.093 20 5 GGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)nc1 ZINC000121332515 1414085766 /nfs/dbraw/zinc/08/57/66/1414085766.db2.gz SCYXPPOBODYQQZ-PXNSSMCTSA-N 1 0 398.463 3.234 20 5 GGBDRO O=C(C1CC1)N1CCC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000121350577 1414091252 /nfs/dbraw/zinc/09/12/52/1414091252.db2.gz IVKUHVWZYQIEFD-UHFFFAOYSA-N 1 0 376.456 3.391 20 5 GGBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000121608879 1414199301 /nfs/dbraw/zinc/19/93/01/1414199301.db2.gz FXHKGIDUUVXTAT-SFHVURJKSA-N 1 0 387.411 3.066 20 5 GGBDRO Cc1c(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000121712245 1414232112 /nfs/dbraw/zinc/23/21/12/1414232112.db2.gz AZRQYOKENCCDOI-QGZVFWFLSA-N 1 0 386.408 3.153 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121798622 1414261285 /nfs/dbraw/zinc/26/12/85/1414261285.db2.gz ZCAQFDFSWXCVLV-UHFFFAOYSA-N 1 0 388.512 3.430 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)C2CCCC2)cc1SC ZINC000177560599 1428793773 /nfs/dbraw/zinc/79/37/73/1428793773.db2.gz BXNSKGNYJUWUAG-UHFFFAOYSA-N 1 0 381.498 3.272 20 5 GGBDRO O=C(C[C@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000121844985 1414276102 /nfs/dbraw/zinc/27/61/02/1414276102.db2.gz DAGVWTIZERDOAD-ZBFHGGJFSA-N 1 0 390.461 3.133 20 5 GGBDRO NC(=O)c1ccc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)c([N+](=O)[O-])c1 ZINC000121917126 1414307119 /nfs/dbraw/zinc/30/71/19/1414307119.db2.gz MTOJBWZSUUYTPP-FUHWJXTLSA-N 1 0 387.436 3.155 20 5 GGBDRO CCC[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@@H+]1CCOC ZINC000122034751 1414344450 /nfs/dbraw/zinc/34/44/50/1414344450.db2.gz UDPPPORRRJIHBC-LJQANCHMSA-N 1 0 388.468 3.183 20 5 GGBDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)c1 ZINC000122051070 1414350015 /nfs/dbraw/zinc/35/00/15/1414350015.db2.gz OPEYJGDWCYFQER-UHFFFAOYSA-N 1 0 398.463 3.227 20 5 GGBDRO CC[NH+](CC)Cc1cccc(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000122063628 1414353143 /nfs/dbraw/zinc/35/31/43/1414353143.db2.gz OENWYZPDYKBTCA-UHFFFAOYSA-N 1 0 389.427 3.271 20 5 GGBDRO COc1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1OC(F)F ZINC000122283560 1414411583 /nfs/dbraw/zinc/41/15/83/1414411583.db2.gz CLNPHSBEDIJNCS-ZDUSSCGKSA-N 1 0 394.378 3.286 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000122362863 1414435246 /nfs/dbraw/zinc/43/52/46/1414435246.db2.gz NGVGTCLMWPWHDK-OAHLLOKOSA-N 1 0 395.525 3.184 20 5 GGBDRO [NH3+]C1(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CCCCCC1 ZINC000122395610 1414445355 /nfs/dbraw/zinc/44/53/55/1414445355.db2.gz UJLQOLRBWYSDLK-UHFFFAOYSA-N 1 0 389.374 3.317 20 5 GGBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000122509639 1414485630 /nfs/dbraw/zinc/48/56/30/1414485630.db2.gz SOZYQINMGXSADE-HUUCEWRRSA-N 1 0 382.464 3.063 20 5 GGBDRO COc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2Cl)[NH+](C)C)cc1OC ZINC000122571284 1414504583 /nfs/dbraw/zinc/50/45/83/1414504583.db2.gz LMYGANNBWQTTIE-AWEZNQCLSA-N 1 0 380.832 3.375 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000122738505 1414553348 /nfs/dbraw/zinc/55/33/48/1414553348.db2.gz INKLUCKVTNMELI-MRXNPFEDSA-N 1 0 376.388 3.167 20 5 GGBDRO C[NH+](C)CCOc1ccccc1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000122784620 1414564598 /nfs/dbraw/zinc/56/45/98/1414564598.db2.gz BPWPXNWYJBANKB-UHFFFAOYSA-N 1 0 377.828 3.119 20 5 GGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2OCC[NH+](C)C)c1 ZINC000122805398 1414569242 /nfs/dbraw/zinc/56/92/42/1414569242.db2.gz JLYZDMZIDBQSRI-UHFFFAOYSA-N 1 0 389.477 3.187 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000122865850 1414583731 /nfs/dbraw/zinc/58/37/31/1414583731.db2.gz OZHNHEUNFLOEHB-MRXNPFEDSA-N 1 0 376.388 3.167 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000123076425 1414635055 /nfs/dbraw/zinc/63/50/55/1414635055.db2.gz OPXPPQSNSWJJKB-UHFFFAOYSA-N 1 0 399.451 3.308 20 5 GGBDRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000123124639 1414648035 /nfs/dbraw/zinc/64/80/35/1414648035.db2.gz UVJVHUMXWWWUDW-CQSZACIVSA-N 1 0 387.436 3.161 20 5 GGBDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)CNc3ccccc3[N+](=O)[O-])c2)CC1 ZINC000123165887 1414658540 /nfs/dbraw/zinc/65/85/40/1414658540.db2.gz ARTNYMBXMKENIT-UHFFFAOYSA-N 1 0 397.479 3.176 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000123182601 1414662493 /nfs/dbraw/zinc/66/24/93/1414662493.db2.gz RGJXDEXULYPPTQ-UHFFFAOYSA-N 1 0 385.424 3.037 20 5 GGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000123190815 1414664660 /nfs/dbraw/zinc/66/46/60/1414664660.db2.gz DAQUXMZGJFLJNI-OAHLLOKOSA-N 1 0 389.477 3.028 20 5 GGBDRO CC(=O)NC1CC[NH+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000123246225 1414677254 /nfs/dbraw/zinc/67/72/54/1414677254.db2.gz NUOUEBNUTAUNTH-UHFFFAOYSA-N 1 0 382.464 3.463 20 5 GGBDRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1csc([N+](=O)[O-])c1 ZINC000177671795 1428829589 /nfs/dbraw/zinc/82/95/89/1428829589.db2.gz DUHLCPWJBFAXLJ-UHFFFAOYSA-N 1 0 375.450 3.113 20 5 GGBDRO C[NH+](C)CCCC1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000123646485 1414803077 /nfs/dbraw/zinc/80/30/77/1414803077.db2.gz JLOJNJBBQMMLPC-UHFFFAOYSA-N 1 0 382.892 3.241 20 5 GGBDRO O=C(CN(C[C@@H]1CCCO1)[C@@H]1CCSC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000123709512 1414813197 /nfs/dbraw/zinc/81/31/97/1414813197.db2.gz JZOIPHXIAWRAKZ-KGLIPLIRSA-N 1 0 399.900 3.173 20 5 GGBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000123746933 1414819299 /nfs/dbraw/zinc/81/92/99/1414819299.db2.gz KUNILYXSFHROSM-UHFFFAOYSA-N 1 0 386.477 3.271 20 5 GGBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000124194946 1414905952 /nfs/dbraw/zinc/90/59/52/1414905952.db2.gz XFCFRDHHTPVXAM-QGZVFWFLSA-N 1 0 388.512 3.293 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000124220521 1414911858 /nfs/dbraw/zinc/91/18/58/1414911858.db2.gz KRICFXZYTBYHFI-KRWDZBQOSA-N 1 0 383.448 3.497 20 5 GGBDRO CC[NH+](CC)[C@@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])c1ccccc1 ZINC000124284294 1414929535 /nfs/dbraw/zinc/92/95/35/1414929535.db2.gz BREXXIZIAUKXAH-KRWDZBQOSA-N 1 0 391.493 3.493 20 5 GGBDRO COc1cc(C[NH2+]C[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000124297220 1414932300 /nfs/dbraw/zinc/93/23/00/1414932300.db2.gz QVIZFZYKILUANR-SMDDNHRTSA-N 1 0 392.374 3.185 20 5 GGBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000124328703 1414940701 /nfs/dbraw/zinc/94/07/01/1414940701.db2.gz IIGKTCBZEDRTBH-GOSISDBHSA-N 1 0 379.416 3.436 20 5 GGBDRO COc1cc(C[NH2+]CCCc2nc3ccccc3n2C)c([N+](=O)[O-])cc1OC ZINC000124382472 1414953686 /nfs/dbraw/zinc/95/36/86/1414953686.db2.gz BYLOQBKLRBFKKM-UHFFFAOYSA-N 1 0 384.436 3.221 20 5 GGBDRO Cc1cc(Cl)c(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000124396832 1414957132 /nfs/dbraw/zinc/95/71/32/1414957132.db2.gz AIUSGQDOAHGTDI-UHFFFAOYSA-N 1 0 389.905 3.052 20 5 GGBDRO CC(C)C[N@H+](CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)CC(C)(C)C ZINC000124540411 1414990110 /nfs/dbraw/zinc/99/01/10/1414990110.db2.gz XGQGDZUPCPNOFN-UHFFFAOYSA-N 1 0 376.457 3.325 20 5 GGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000177775236 1428855700 /nfs/dbraw/zinc/85/57/00/1428855700.db2.gz XMZHZUHXIGPAJF-YPMHNXCESA-N 1 0 384.383 3.287 20 5 GGBDRO COc1cccc([C@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[NH+](C)C)c1 ZINC000124814555 1415050825 /nfs/dbraw/zinc/05/08/25/1415050825.db2.gz ZLGYQSIPDHEAAI-FQEVSTJZSA-N 1 0 396.447 3.046 20 5 GGBDRO COc1ccc(OC)c([C@H](O)C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000124931456 1415075394 /nfs/dbraw/zinc/07/53/94/1415075394.db2.gz WLPUMRQMOJSAAO-UYAOXDASSA-N 1 0 386.448 3.256 20 5 GGBDRO COCC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1ccc(C)o1 ZINC000125063219 1415102395 /nfs/dbraw/zinc/10/23/95/1415102395.db2.gz YKQKVCPIJUPQNY-UHFFFAOYSA-N 1 0 375.425 3.282 20 5 GGBDRO COCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccc(C)o1 ZINC000125330248 1415166467 /nfs/dbraw/zinc/16/64/67/1415166467.db2.gz JVAZUHGOLWIAFU-UHFFFAOYSA-N 1 0 375.425 3.282 20 5 GGBDRO Cc1ccc([C@H](C)NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000177856288 1428874565 /nfs/dbraw/zinc/87/45/65/1428874565.db2.gz FECUGJPUSYMNEB-SFHVURJKSA-N 1 0 396.491 3.293 20 5 GGBDRO Cc1c(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000125767693 1415274938 /nfs/dbraw/zinc/27/49/38/1415274938.db2.gz XWVHOGPHERURCT-CQSZACIVSA-N 1 0 392.437 3.214 20 5 GGBDRO COC(=O)[C@H]1C[C@@H](OC)CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000125787109 1415280534 /nfs/dbraw/zinc/28/05/34/1415280534.db2.gz ZXFXUWJUKJYYAN-MLGOLLRUSA-N 1 0 376.434 3.086 20 5 GGBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000125949128 1415319756 /nfs/dbraw/zinc/31/97/56/1415319756.db2.gz PLIDDNDBIXUUMJ-UHFFFAOYSA-N 1 0 385.489 3.116 20 5 GGBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)o1 ZINC000126069279 1415349847 /nfs/dbraw/zinc/34/98/47/1415349847.db2.gz APQHKWVGCKNWKA-UHFFFAOYSA-N 1 0 386.452 3.275 20 5 GGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3COC4(CCCCC4)O3)CC2)cc1 ZINC000126211732 1415385630 /nfs/dbraw/zinc/38/56/30/1415385630.db2.gz XAQBZBMFZZXWLL-IBGZPJMESA-N 1 0 375.469 3.229 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000126383426 1415431758 /nfs/dbraw/zinc/43/17/58/1415431758.db2.gz YTICXATZALUELW-QZTJIDSGSA-N 1 0 390.484 3.101 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000126383165 1415431852 /nfs/dbraw/zinc/43/18/52/1415431852.db2.gz YTICXATZALUELW-ROUUACIJSA-N 1 0 390.484 3.101 20 5 GGBDRO Cc1c(CC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000126436090 1415452802 /nfs/dbraw/zinc/45/28/02/1415452802.db2.gz OROASFCBABXNFU-LJQANCHMSA-N 1 0 381.476 3.426 20 5 GGBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000126531173 1415479481 /nfs/dbraw/zinc/47/94/81/1415479481.db2.gz HWMZOBYTWYWPAE-HXUWFJFHSA-N 1 0 396.491 3.301 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126674609 1415523768 /nfs/dbraw/zinc/52/37/68/1415523768.db2.gz IWDIHHIUMSSCFX-KBXCAEBGSA-N 1 0 377.872 3.266 20 5 GGBDRO COC(=O)c1cc([N+](=O)[O-])c(N2CCC[C@H]([NH+]3CCCC3)CC2)cc1Cl ZINC000126893758 1415597605 /nfs/dbraw/zinc/59/76/05/1415597605.db2.gz QTIKPPUOMFPDQM-ZDUSSCGKSA-N 1 0 381.860 3.490 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000126921162 1415610154 /nfs/dbraw/zinc/61/01/54/1415610154.db2.gz FKYGDCCINSGTOO-HUUCEWRRSA-N 1 0 399.447 3.465 20 5 GGBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178064870 1428965637 /nfs/dbraw/zinc/96/56/37/1428965637.db2.gz CUBAKWZXIIOAKQ-HNNXBMFYSA-N 1 0 398.463 3.089 20 5 GGBDRO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3c([N+](=O)[O-])c(C)nn3C)ccc21 ZINC000127303416 1415728405 /nfs/dbraw/zinc/72/84/05/1415728405.db2.gz CFERRKQORCDMEA-UHFFFAOYSA-N 1 0 398.467 3.186 20 5 GGBDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCCCC2 ZINC000127384346 1415760330 /nfs/dbraw/zinc/76/03/30/1415760330.db2.gz WOOVIQQUQFRIOK-ROUUACIJSA-N 1 0 375.469 3.253 20 5 GGBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCCCC2 ZINC000127384099 1415760392 /nfs/dbraw/zinc/76/03/92/1415760392.db2.gz WOOVIQQUQFRIOK-ZWKOTPCHSA-N 1 0 375.469 3.253 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000127571292 1415811429 /nfs/dbraw/zinc/81/14/29/1415811429.db2.gz SWVZJTDDXQBESM-YJBOKZPZSA-N 1 0 398.463 3.066 20 5 GGBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(C)cc([N+](=O)[O-])c3N)c(C)c2)CC1 ZINC000178149731 1429000012 /nfs/dbraw/zinc/00/00/12/1429000012.db2.gz AQMKKJWALOOGCU-UHFFFAOYSA-N 1 0 397.479 3.188 20 5 GGBDRO C[C@H]([NH2+]CC1(c2ccccc2)CCOCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000127659552 1415828266 /nfs/dbraw/zinc/82/82/66/1415828266.db2.gz SIENDYOPZJIFKL-INIZCTEOSA-N 1 0 383.448 3.260 20 5 GGBDRO O=C(C[NH2+][C@H]1CCCC[C@H]1n1cccn1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000128002298 1415891001 /nfs/dbraw/zinc/89/10/01/1415891001.db2.gz VZSGMJCATFEPLM-DZGCQCFKSA-N 1 0 377.832 3.157 20 5 GGBDRO Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)ccc1[N+](=O)[O-] ZINC000178242333 1429029673 /nfs/dbraw/zinc/02/96/73/1429029673.db2.gz WYGACPGREOZWLI-AUUYWEPGSA-N 1 0 396.447 3.166 20 5 GGBDRO Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc([C@H](C)[NH3+])cc2)ccc1[N+](=O)[O-] ZINC000178242359 1429029864 /nfs/dbraw/zinc/02/98/64/1429029864.db2.gz WYGACPGREOZWLI-IFXJQAMLSA-N 1 0 396.447 3.166 20 5 GGBDRO Cc1c(C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000178260551 1429036017 /nfs/dbraw/zinc/03/60/17/1429036017.db2.gz GIKVDISNPOXBLD-HZPDHXFCSA-N 1 0 389.496 3.255 20 5 GGBDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)N2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000128549558 1416010866 /nfs/dbraw/zinc/01/08/66/1416010866.db2.gz INYDBCNXPYFAJS-GOSISDBHSA-N 1 0 396.491 3.293 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000128565238 1416014717 /nfs/dbraw/zinc/01/47/17/1416014717.db2.gz FGPKIAAUPLXFSC-SFHVURJKSA-N 1 0 396.491 3.293 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000128565025 1416014739 /nfs/dbraw/zinc/01/47/39/1416014739.db2.gz FGPKIAAUPLXFSC-GOSISDBHSA-N 1 0 396.491 3.293 20 5 GGBDRO Cc1c([C@H](C)[NH2+]CCC(=O)N2CCN(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000128565689 1416014814 /nfs/dbraw/zinc/01/48/14/1416014814.db2.gz CUSUTZAHPFNZKF-SFHVURJKSA-N 1 0 396.491 3.293 20 5 GGBDRO Cc1c(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000128580229 1416018520 /nfs/dbraw/zinc/01/85/20/1416018520.db2.gz YEOQIZMIHJWMFC-UHFFFAOYSA-N 1 0 388.380 3.004 20 5 GGBDRO CS(=O)(=O)Cc1ccccc1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178297108 1429044993 /nfs/dbraw/zinc/04/49/93/1429044993.db2.gz YSDBKDJSTLDAME-LJQANCHMSA-N 1 0 388.489 3.250 20 5 GGBDRO O=C(CC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128899487 1416096804 /nfs/dbraw/zinc/09/68/04/1416096804.db2.gz VRKNXALNLLOBEW-DYVFJYSZSA-N 1 0 391.399 3.244 20 5 GGBDRO CCCc1n[nH]c(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c1[N+](=O)[O-] ZINC000128981393 1416118638 /nfs/dbraw/zinc/11/86/38/1416118638.db2.gz SODJXLNWKTUVQE-UHFFFAOYSA-N 1 0 377.489 3.043 20 5 GGBDRO C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000129125848 1416151852 /nfs/dbraw/zinc/15/18/52/1416151852.db2.gz RLHUBUYUTBKHJP-DQYPLSBCSA-N 1 0 398.385 3.254 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-])c1ccccn1 ZINC000129145708 1416156118 /nfs/dbraw/zinc/15/61/18/1416156118.db2.gz WCYQQJGYSHZYQZ-KTFSGNIMSA-N 1 0 395.463 3.176 20 5 GGBDRO Cc1c(CC(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cccc1[N+](=O)[O-] ZINC000129276149 1416183908 /nfs/dbraw/zinc/18/39/08/1416183908.db2.gz NOPDAFZYHITWQR-UHFFFAOYSA-N 1 0 397.475 3.289 20 5 GGBDRO CC[C@H](O)C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccccc1 ZINC000129285021 1416185310 /nfs/dbraw/zinc/18/53/10/1416185310.db2.gz PIXGFKDTBYNIDA-KRWDZBQOSA-N 1 0 389.427 3.336 20 5 GGBDRO CCOC(=O)CC[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000129368563 1416197632 /nfs/dbraw/zinc/19/76/32/1416197632.db2.gz BUNKTHXLASHISD-AWEZNQCLSA-N 1 0 395.431 3.118 20 5 GGBDRO C[C@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@@H]1CN(C)CCO1 ZINC000129428556 1416207728 /nfs/dbraw/zinc/20/77/28/1416207728.db2.gz UUPDGFLEINUHNA-XOBRGWDASA-N 1 0 389.427 3.335 20 5 GGBDRO C[NH+](C)CCCOc1ccc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)cc1 ZINC000129434424 1416208758 /nfs/dbraw/zinc/20/87/58/1416208758.db2.gz HTTKARAYOBEZCF-UHFFFAOYSA-N 1 0 386.452 3.290 20 5 GGBDRO C[N@@H+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H](c2ccccc2)C1 ZINC000129497146 1416218793 /nfs/dbraw/zinc/21/87/93/1416218793.db2.gz SANMXDHIEGXQFN-IBGZPJMESA-N 1 0 386.427 3.051 20 5 GGBDRO C[C@@H](CCO)[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccccc1 ZINC000129672073 1416246204 /nfs/dbraw/zinc/24/62/04/1416246204.db2.gz DLNZAYFLVMNRQT-HNNXBMFYSA-N 1 0 389.427 3.336 20 5 GGBDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000129787500 1416264017 /nfs/dbraw/zinc/26/40/17/1416264017.db2.gz NGFUXSGUCYQTRG-UHFFFAOYSA-N 1 0 397.903 3.459 20 5 GGBDRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000129839439 1416272224 /nfs/dbraw/zinc/27/22/24/1416272224.db2.gz SBRNUQKVHOJHQP-UHFFFAOYSA-N 1 0 375.375 3.267 20 5 GGBDRO COc1ccc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1[N+](=O)[O-] ZINC000129954811 1416290333 /nfs/dbraw/zinc/29/03/33/1416290333.db2.gz HHVAGGOFCVKRHN-UHFFFAOYSA-N 1 0 399.447 3.060 20 5 GGBDRO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000130099577 1416318137 /nfs/dbraw/zinc/31/81/37/1416318137.db2.gz GXPQSWCFLAQQNU-OAHLLOKOSA-N 1 0 376.434 3.335 20 5 GGBDRO O=C(CC[NH+]1CCC(n2cc(Cl)cn2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000130108936 1416319699 /nfs/dbraw/zinc/31/96/99/1416319699.db2.gz JSIJUTIUBIVKGK-UHFFFAOYSA-N 1 0 395.822 3.250 20 5 GGBDRO O=C(c1ccco1)N1CCC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000130208125 1416340185 /nfs/dbraw/zinc/34/01/85/1416340185.db2.gz SGPJBMWAPAWLOE-GOSISDBHSA-N 1 0 383.448 3.403 20 5 GGBDRO COc1cc(C[NH2+]CCc2cscn2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000130250533 1416346727 /nfs/dbraw/zinc/34/67/27/1416346727.db2.gz WNNUCJUAVXGTCH-UHFFFAOYSA-N 1 0 391.371 3.333 20 5 GGBDRO CCC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178501310 1429091726 /nfs/dbraw/zinc/09/17/26/1429091726.db2.gz QTOKXCLAGLZQJC-LJQANCHMSA-N 1 0 391.493 3.476 20 5 GGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3c[nH]nc3-c3cccnc3)CC2)cc1 ZINC000130739525 1416439446 /nfs/dbraw/zinc/43/94/46/1416439446.db2.gz FXDKCYSESASDFN-UHFFFAOYSA-N 1 0 379.420 3.423 20 5 GGBDRO Cn1cc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(-c2ccncc2)n1 ZINC000130740832 1416439486 /nfs/dbraw/zinc/43/94/86/1416439486.db2.gz HZRHSUDQUOSXNC-UHFFFAOYSA-N 1 0 393.447 3.434 20 5 GGBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000130745032 1416440713 /nfs/dbraw/zinc/44/07/13/1416440713.db2.gz UZFBOJJHHDMABR-MRXNPFEDSA-N 1 0 376.501 3.497 20 5 GGBDRO C[C@H]1C[C@H](N(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000130841999 1416464943 /nfs/dbraw/zinc/46/49/43/1416464943.db2.gz UFOZGHPZQMZSQO-MAUKXSAKSA-N 1 0 382.464 3.302 20 5 GGBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000131014840 1416496165 /nfs/dbraw/zinc/49/61/65/1416496165.db2.gz VUEYQVIYMPEPLB-OAHLLOKOSA-N 1 0 379.420 3.394 20 5 GGBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000131021702 1416497353 /nfs/dbraw/zinc/49/73/53/1416497353.db2.gz UKLVOCPIYLSLEO-LIRRHRJNSA-N 1 0 399.447 3.034 20 5 GGBDRO O=C(NCC[NH+]1CCCCC1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000131101310 1416509116 /nfs/dbraw/zinc/50/91/16/1416509116.db2.gz OTVPATJYXCIXHN-UHFFFAOYSA-N 1 0 390.665 3.226 20 5 GGBDRO O=C1NCCCN1C1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000131106114 1416509431 /nfs/dbraw/zinc/50/94/31/1416509431.db2.gz NZQGJHZNGQAKJE-UHFFFAOYSA-N 1 0 384.436 3.235 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](CN4CCOCC4)C3)o2)cc1 ZINC000131105093 1416509524 /nfs/dbraw/zinc/50/95/24/1416509524.db2.gz PRDVRZYYMPDERK-KRWDZBQOSA-N 1 0 385.464 3.399 20 5 GGBDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000131114775 1416511110 /nfs/dbraw/zinc/51/11/10/1416511110.db2.gz YUYXMNAGUIUTTF-UHFFFAOYSA-N 1 0 397.903 3.459 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@H](CN4CCOCC4)C3)o2)c1 ZINC000131116208 1416511505 /nfs/dbraw/zinc/51/15/05/1416511505.db2.gz SIIVJQXXFJOXMO-QGZVFWFLSA-N 1 0 385.464 3.399 20 5 GGBDRO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000131225911 1416526057 /nfs/dbraw/zinc/52/60/57/1416526057.db2.gz QKWNDUXQJQEVPX-OAHLLOKOSA-N 1 0 381.436 3.438 20 5 GGBDRO [NH3+]C[C@@H]1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000178550763 1429104557 /nfs/dbraw/zinc/10/45/57/1429104557.db2.gz DSLCEYYFGSSYOI-ZDUSSCGKSA-N 1 0 388.855 3.281 20 5 GGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000131418253 1416554803 /nfs/dbraw/zinc/55/48/03/1416554803.db2.gz XALYRCDYOSIEEF-OAHLLOKOSA-N 1 0 383.452 3.097 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000131870651 1416637996 /nfs/dbraw/zinc/63/79/96/1416637996.db2.gz OTVKLGUDZUAOCN-KRWDZBQOSA-N 1 0 396.491 3.397 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000131870429 1416638250 /nfs/dbraw/zinc/63/82/50/1416638250.db2.gz OTVKLGUDZUAOCN-QGZVFWFLSA-N 1 0 396.491 3.397 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000131976418 1416664492 /nfs/dbraw/zinc/66/44/92/1416664492.db2.gz JHCXXAAOHAVBQS-INIZCTEOSA-N 1 0 383.448 3.340 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000131979362 1416665041 /nfs/dbraw/zinc/66/50/41/1416665041.db2.gz BSZCLRDAOWVPRO-QGZVFWFLSA-N 1 0 383.448 3.097 20 5 GGBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 ZINC000131993150 1416668815 /nfs/dbraw/zinc/66/88/15/1416668815.db2.gz IOSIRLPXHYVFNY-JTQLQIEISA-N 1 0 390.665 3.177 20 5 GGBDRO CN(CC[NH+]1CCCC1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000132094778 1416694007 /nfs/dbraw/zinc/69/40/07/1416694007.db2.gz ZEWWGNYMGPRMGJ-UHFFFAOYSA-N 1 0 390.665 3.179 20 5 GGBDRO Cc1c(C(=O)NCC(C)(C)[NH+]2CCCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000132259246 1416725324 /nfs/dbraw/zinc/72/53/24/1416725324.db2.gz YQGZURGDZQVMSH-UHFFFAOYSA-N 1 0 378.429 3.114 20 5 GGBDRO Cc1c(CC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000178619495 1429123700 /nfs/dbraw/zinc/12/37/00/1429123700.db2.gz WNSMWCHITDVPDK-UHFFFAOYSA-N 1 0 381.476 3.474 20 5 GGBDRO Cc1c(C(=O)NCCC[N@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000132308859 1416732851 /nfs/dbraw/zinc/73/28/51/1416732851.db2.gz NOPSMAMRXRHENI-GFCCVEGCSA-N 1 0 378.429 3.114 20 5 GGBDRO COc1ccccc1[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000132367915 1416746846 /nfs/dbraw/zinc/74/68/46/1416746846.db2.gz JPCDKKFXYHQHNB-SFHVURJKSA-N 1 0 387.411 3.309 20 5 GGBDRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178640601 1429126900 /nfs/dbraw/zinc/12/69/00/1429126900.db2.gz XJLYDGDNYNFNCK-OAHLLOKOSA-N 1 0 391.493 3.273 20 5 GGBDRO C[C@@H]1C[C@H](N(C)C(=O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000132489663 1416771713 /nfs/dbraw/zinc/77/17/13/1416771713.db2.gz KLONEEYJFLWVEJ-IEBWSBKVSA-N 1 0 397.475 3.485 20 5 GGBDRO C[C@@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178641442 1429127630 /nfs/dbraw/zinc/12/76/30/1429127630.db2.gz JFXVQBRBXZHHNR-MRXNPFEDSA-N 1 0 382.464 3.349 20 5 GGBDRO C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000132501257 1416773822 /nfs/dbraw/zinc/77/38/22/1416773822.db2.gz WXCMTIWGSDNTLC-WMZOPIPTSA-N 1 0 399.495 3.038 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000132517421 1416776747 /nfs/dbraw/zinc/77/67/47/1416776747.db2.gz RNTSOWGEUJBUPC-INIZCTEOSA-N 1 0 393.447 3.351 20 5 GGBDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178646238 1429128666 /nfs/dbraw/zinc/12/86/66/1429128666.db2.gz MGFWCEZWUUXAFH-OAHLLOKOSA-N 1 0 389.477 3.230 20 5 GGBDRO C[C@@H]([NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178650547 1429129075 /nfs/dbraw/zinc/12/90/75/1429129075.db2.gz VBVLXKOBYFKPDB-FOIQADDNSA-N 1 0 383.448 3.354 20 5 GGBDRO COc1cc(C(=O)N2CC[C@H]([NH3+])C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000132656626 1416800730 /nfs/dbraw/zinc/80/07/30/1416800730.db2.gz GKNSHGNUAHNDOP-ZDUSSCGKSA-N 1 0 391.811 3.222 20 5 GGBDRO CCCCNC(=O)C1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCCCC1 ZINC000132813775 1416818275 /nfs/dbraw/zinc/81/82/75/1416818275.db2.gz ONXMWLPJYVNRPX-UHFFFAOYSA-N 1 0 390.484 3.051 20 5 GGBDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000178661426 1429132027 /nfs/dbraw/zinc/13/20/27/1429132027.db2.gz PXJOEXIBOYRXKK-BFUOFWGJSA-N 1 0 385.420 3.068 20 5 GGBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(OC)c(OC)c1 ZINC000132981821 1416838665 /nfs/dbraw/zinc/83/86/65/1416838665.db2.gz WLXIDYREHDBWCR-UHFFFAOYSA-N 1 0 387.436 3.463 20 5 GGBDRO CN(C)[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Cc1ccccc1 ZINC000133000732 1416840735 /nfs/dbraw/zinc/84/07/35/1416840735.db2.gz MDBDDWGGMCPCRN-JOCHJYFZSA-N 1 0 382.508 3.326 20 5 GGBDRO CCOC(=O)c1ccnc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000133137214 1416855841 /nfs/dbraw/zinc/85/58/41/1416855841.db2.gz IIIFJUXKOCZWPR-HNNXBMFYSA-N 1 0 388.424 3.399 20 5 GGBDRO CCOC(=O)c1ccnc(NC[C@H](c2cccs2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000133146065 1416857198 /nfs/dbraw/zinc/85/71/98/1416857198.db2.gz ZHVUQLDWMQDWSL-CQSZACIVSA-N 1 0 390.465 3.477 20 5 GGBDRO COC(=O)c1ccc(CNC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000178679491 1429138978 /nfs/dbraw/zinc/13/89/78/1429138978.db2.gz FNKQUOKOANDBIS-LSDHHAIUSA-N 1 0 399.447 3.045 20 5 GGBDRO CCOC(=O)c1ccnc(NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000133406373 1416886762 /nfs/dbraw/zinc/88/67/62/1416886762.db2.gz CPVKIDAISDMZMN-HNNXBMFYSA-N 1 0 376.388 3.020 20 5 GGBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000133433263 1416889283 /nfs/dbraw/zinc/88/92/83/1416889283.db2.gz YJKDBPQHSUETNA-GOSISDBHSA-N 1 0 385.439 3.305 20 5 GGBDRO C[NH2+][C@H]1CCCN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)C1 ZINC000133484966 1416894345 /nfs/dbraw/zinc/89/43/45/1416894345.db2.gz UFJCKZVJDWWRIV-ZDUSSCGKSA-N 1 0 392.506 3.335 20 5 GGBDRO CCC[C@@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000133666931 1416935135 /nfs/dbraw/zinc/93/51/35/1416935135.db2.gz BACIRVKLBQGRGW-HXUWFJFHSA-N 1 0 398.511 3.028 20 5 GGBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(OC(F)F)c1 ZINC000133708836 1416948254 /nfs/dbraw/zinc/94/82/54/1416948254.db2.gz RWSSQNVLPNBGRB-DOMZBBRYSA-N 1 0 382.363 3.287 20 5 GGBDRO Cc1nc(NC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)ccc1[N+](=O)[O-] ZINC000133746729 1416955484 /nfs/dbraw/zinc/95/54/84/1416955484.db2.gz GZTCFPRLSBRVEI-UHFFFAOYSA-N 1 0 383.452 3.081 20 5 GGBDRO COc1cc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)ccc1S(C)(=O)=O ZINC000178685324 1429141034 /nfs/dbraw/zinc/14/10/34/1429141034.db2.gz KXOOCGGAJKDDSR-CHWSQXEVSA-N 1 0 378.450 3.419 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1[N+](=O)[O-] ZINC000178687397 1429141526 /nfs/dbraw/zinc/14/15/26/1429141526.db2.gz SFXWYWNYPUGJQT-SUMWQHHRSA-N 1 0 384.392 3.268 20 5 GGBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC(=O)Nc2ccccc2F)cc1[N+](=O)[O-] ZINC000178688142 1429141959 /nfs/dbraw/zinc/14/19/59/1429141959.db2.gz GJZBBYZFPLJJGE-CHWSQXEVSA-N 1 0 388.399 3.430 20 5 GGBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)cccc1[N+](=O)[O-] ZINC000133847297 1416977342 /nfs/dbraw/zinc/97/73/42/1416977342.db2.gz HDPDZSJLCUGMRL-CQSZACIVSA-N 1 0 377.466 3.004 20 5 GGBDRO C[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[N@H+](C)Cc1ccccc1 ZINC000133978866 1417004714 /nfs/dbraw/zinc/00/47/14/1417004714.db2.gz CTEADMDQZCTINF-OAHLLOKOSA-N 1 0 380.448 3.255 20 5 GGBDRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000133984247 1417005817 /nfs/dbraw/zinc/00/58/17/1417005817.db2.gz LJZXFIKMAMZEFK-UHFFFAOYSA-N 1 0 377.441 3.437 20 5 GGBDRO COc1cc(C(=O)N2c3ccc(C)cc3[C@@H]3C[N@@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000134013209 1417009828 /nfs/dbraw/zinc/00/98/28/1417009828.db2.gz TWAFLMJFBNTXKH-WMZOPIPTSA-N 1 0 381.432 3.360 20 5 GGBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000134373716 1417062376 /nfs/dbraw/zinc/06/23/76/1417062376.db2.gz DGVNGACQDIKXQY-DLBZAZTESA-N 1 0 396.875 3.138 20 5 GGBDRO CC[C@@H](O)C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000134506444 1417078324 /nfs/dbraw/zinc/07/83/24/1417078324.db2.gz RRXMWIINERVYHT-GOSISDBHSA-N 1 0 399.447 3.166 20 5 GGBDRO COc1cccc([C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000134520948 1417080693 /nfs/dbraw/zinc/08/06/93/1417080693.db2.gz DDOVUQVJSDCLBL-QGZVFWFLSA-N 1 0 377.828 3.290 20 5 GGBDRO C[C@@H](CCS(C)(=O)=O)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000134585304 1417091756 /nfs/dbraw/zinc/09/17/56/1417091756.db2.gz BRHADPZEZSAHIQ-HNNXBMFYSA-N 1 0 391.493 3.276 20 5 GGBDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000134630257 1417101459 /nfs/dbraw/zinc/10/14/59/1417101459.db2.gz YPXVGXGUAYSPAT-HUUCEWRRSA-N 1 0 379.457 3.351 20 5 GGBDRO C[NH+](C)CCOc1cccc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1 ZINC000134785583 1417125751 /nfs/dbraw/zinc/12/57/51/1417125751.db2.gz JKZCWHBQCYOLGN-UHFFFAOYSA-N 1 0 377.828 3.119 20 5 GGBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000178749453 1429160362 /nfs/dbraw/zinc/16/03/62/1429160362.db2.gz SMQCTVBZLDQUGP-HNNXBMFYSA-N 1 0 388.855 3.342 20 5 GGBDRO O=C(CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000134863969 1417135883 /nfs/dbraw/zinc/13/58/83/1417135883.db2.gz PUGSFBYRPLTFFO-CXAGYDPISA-N 1 0 392.887 3.135 20 5 GGBDRO O=C(CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000134929996 1417146955 /nfs/dbraw/zinc/14/69/55/1417146955.db2.gz YCOLDBYNRXLHDS-CXAGYDPISA-N 1 0 392.887 3.135 20 5 GGBDRO CC(C)OC(=O)c1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000135194275 1417185774 /nfs/dbraw/zinc/18/57/74/1417185774.db2.gz LAAKVPQDPPUTPX-QGZVFWFLSA-N 1 0 384.436 3.241 20 5 GGBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000178777960 1429167772 /nfs/dbraw/zinc/16/77/72/1429167772.db2.gz IMDLZQDYVYFPFG-OAHLLOKOSA-N 1 0 383.452 3.015 20 5 GGBDRO CCc1ccc(C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000135618755 1417247893 /nfs/dbraw/zinc/24/78/93/1417247893.db2.gz QNGYBVVKZWLXBQ-UHFFFAOYSA-N 1 0 383.448 3.366 20 5 GGBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000136016992 1417286441 /nfs/dbraw/zinc/28/64/41/1417286441.db2.gz QUHNFRXRLZLRRV-VIFPVBQESA-N 1 0 392.681 3.471 20 5 GGBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000136101325 1417292028 /nfs/dbraw/zinc/29/20/28/1417292028.db2.gz OHQIYOJLNFFOQW-MRXNPFEDSA-N 1 0 385.468 3.022 20 5 GGBDRO COc1cccc([C@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000136165489 1417296639 /nfs/dbraw/zinc/29/66/39/1417296639.db2.gz CFYXOTACLVGUIN-INIZCTEOSA-N 1 0 377.828 3.290 20 5 GGBDRO COc1cccc([C@@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000136165529 1417297024 /nfs/dbraw/zinc/29/70/24/1417297024.db2.gz CFYXOTACLVGUIN-MRXNPFEDSA-N 1 0 377.828 3.290 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000178798458 1429173758 /nfs/dbraw/zinc/17/37/58/1429173758.db2.gz RTZNXTJCFPHLCZ-HHHXNRCGSA-N 1 0 389.477 3.101 20 5 GGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)cs1 ZINC000136495392 1417321088 /nfs/dbraw/zinc/32/10/88/1417321088.db2.gz OGDLODVBXVEWOK-GFCCVEGCSA-N 1 0 390.383 3.496 20 5 GGBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000178805734 1429175595 /nfs/dbraw/zinc/17/55/95/1429175595.db2.gz HIOFGMLWIBELHH-CABCVRRESA-N 1 0 397.479 3.362 20 5 GGBDRO Cc1c(NC(=O)CC[N@@H+](C)Cc2ccc([S@@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000178805255 1429175605 /nfs/dbraw/zinc/17/56/05/1429175605.db2.gz MTAJDWKKFHCBFI-HHHXNRCGSA-N 1 0 389.477 3.101 20 5 GGBDRO O=[N+]([O-])c1ccc2nc(NCC[NH+]3CCN(c4ccccc4)CC3)ccc2c1 ZINC000136735326 1417341835 /nfs/dbraw/zinc/34/18/35/1417341835.db2.gz FMSMFWKHVKLMFL-UHFFFAOYSA-N 1 0 377.448 3.377 20 5 GGBDRO C[C@H]1C[NH+](CC2CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000136848430 1417349950 /nfs/dbraw/zinc/34/99/50/1417349950.db2.gz BBADQSFPOGJJMF-KBPBESRZSA-N 1 0 395.887 3.210 20 5 GGBDRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000136848402 1417349984 /nfs/dbraw/zinc/34/99/84/1417349984.db2.gz BBADQSFPOGJJMF-OKILXGFUSA-N 1 0 395.887 3.210 20 5 GGBDRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)C[C@H](C)O1 ZINC000136849040 1417350125 /nfs/dbraw/zinc/35/01/25/1417350125.db2.gz LFFMOMARRGNCFA-OKILXGFUSA-N 1 0 395.887 3.210 20 5 GGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000136897827 1417353747 /nfs/dbraw/zinc/35/37/47/1417353747.db2.gz KIPHGEHIQBLARA-HXUWFJFHSA-N 1 0 389.883 3.490 20 5 GGBDRO COc1ccc(C[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1OC(F)F ZINC000136921742 1417355350 /nfs/dbraw/zinc/35/53/50/1417355350.db2.gz MZBWQKNVVVGVCX-OAHLLOKOSA-N 1 0 382.363 3.370 20 5 GGBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000136928176 1417356397 /nfs/dbraw/zinc/35/63/97/1417356397.db2.gz SPNPSHIHQCOJEV-QGZVFWFLSA-N 1 0 388.493 3.335 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000137173103 1417372841 /nfs/dbraw/zinc/37/28/41/1417372841.db2.gz GTYPLXZEOASDPM-OAHLLOKOSA-N 1 0 395.525 3.185 20 5 GGBDRO C[C@@H]1C[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000137447598 1417385745 /nfs/dbraw/zinc/38/57/45/1417385745.db2.gz RNTYKRNOSFFSQL-AEFFLSMTSA-N 1 0 383.448 3.143 20 5 GGBDRO COc1cc(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000137458252 1417387173 /nfs/dbraw/zinc/38/71/73/1417387173.db2.gz AKAXIQVAFWKAQI-ZBFHGGJFSA-N 1 0 399.447 3.005 20 5 GGBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000137846630 1417397374 /nfs/dbraw/zinc/39/73/74/1417397374.db2.gz QXIYMNNYLDFJQH-CXAGYDPISA-N 1 0 398.419 3.204 20 5 GGBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000138425475 1417414182 /nfs/dbraw/zinc/41/41/82/1417414182.db2.gz PDTYGOLXWWRLBT-CYBMUJFWSA-N 1 0 381.860 3.102 20 5 GGBDRO C[C@H]([NH3+])C1CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000178832241 1429186140 /nfs/dbraw/zinc/18/61/40/1429186140.db2.gz AJHRGDPSUVWTDZ-NSHDSACASA-N 1 0 388.390 3.001 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000140141808 1417489161 /nfs/dbraw/zinc/48/91/61/1417489161.db2.gz BMYUTPINMVEAOR-AWEZNQCLSA-N 1 0 389.477 3.307 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000140141970 1417489319 /nfs/dbraw/zinc/48/93/19/1417489319.db2.gz BMYUTPINMVEAOR-CQSZACIVSA-N 1 0 389.477 3.307 20 5 GGBDRO CNc1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1[N+](=O)[O-] ZINC000140218296 1417492428 /nfs/dbraw/zinc/49/24/28/1417492428.db2.gz QQCCSTAUXHPHBO-AWEZNQCLSA-N 1 0 388.493 3.340 20 5 GGBDRO Cc1ccc([C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)[NH+]2CCCC2)cc1 ZINC000143050437 1417610406 /nfs/dbraw/zinc/61/04/06/1417610406.db2.gz PVCRSPKOZWYQHO-SFHVURJKSA-N 1 0 386.427 3.191 20 5 GGBDRO COc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000143269113 1417622621 /nfs/dbraw/zinc/62/26/21/1417622621.db2.gz UIEVJHPNYXZOJA-IBGZPJMESA-N 1 0 383.448 3.479 20 5 GGBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000145726845 1417698922 /nfs/dbraw/zinc/69/89/22/1417698922.db2.gz HMTOUFOFYFFCCV-UHFFFAOYSA-N 1 0 389.477 3.064 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000146997918 1417736305 /nfs/dbraw/zinc/73/63/05/1417736305.db2.gz BVALBHSLDXMZJR-OAQYLSRUSA-N 1 0 397.475 3.416 20 5 GGBDRO COc1ccc(CSCC(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000147714738 1417752397 /nfs/dbraw/zinc/75/23/97/1417752397.db2.gz AOHZWYDZFQMHIJ-OAHLLOKOSA-N 1 0 395.525 3.075 20 5 GGBDRO Cc1c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000150756736 1417800557 /nfs/dbraw/zinc/80/05/57/1417800557.db2.gz PIDUHMFEOUYUOE-OAHLLOKOSA-N 1 0 390.440 3.210 20 5 GGBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cccn1C1CC[NH2+]CC1 ZINC000150791375 1417807397 /nfs/dbraw/zinc/80/73/97/1417807397.db2.gz XIEFDNCZMVFWSH-UHFFFAOYSA-N 1 0 376.844 3.246 20 5 GGBDRO Cn1cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000150802284 1417809477 /nfs/dbraw/zinc/80/94/77/1417809477.db2.gz CIQMYZIVRDHNGL-KRWDZBQOSA-N 1 0 397.479 3.086 20 5 GGBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150811104 1417811661 /nfs/dbraw/zinc/81/16/61/1417811661.db2.gz CUIBSSPFIAQMPP-GOSISDBHSA-N 1 0 386.496 3.286 20 5 GGBDRO O=C(c1cc(N2CCC[C@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000150884143 1417827771 /nfs/dbraw/zinc/82/77/71/1417827771.db2.gz KVSXXKLYSDMJSH-KRWDZBQOSA-N 1 0 386.496 3.286 20 5 GGBDRO Cn1ccnc1C(=O)c1ccc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000150895257 1417829721 /nfs/dbraw/zinc/82/97/21/1417829721.db2.gz FFDKACKDBRNTBK-QGZVFWFLSA-N 1 0 397.479 3.014 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c1 ZINC000150912959 1417834054 /nfs/dbraw/zinc/83/40/54/1417834054.db2.gz YWVZKKYRFAULQB-HZPDHXFCSA-N 1 0 397.475 3.490 20 5 GGBDRO C[N@H+](CCC(=O)OC(C)(C)C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000150935719 1417839318 /nfs/dbraw/zinc/83/93/18/1417839318.db2.gz IUIDZAPEKDCRNI-UHFFFAOYSA-N 1 0 375.425 3.456 20 5 GGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CCC(=O)OC(C)(C)C ZINC000150937557 1417839442 /nfs/dbraw/zinc/83/94/42/1417839442.db2.gz DWYPGXHCRIJHIP-LLVKDONJSA-N 1 0 385.848 3.239 20 5 GGBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000150964602 1417844921 /nfs/dbraw/zinc/84/49/21/1417844921.db2.gz LARWHKBKBFRXKF-IAGOWNOFSA-N 1 0 381.476 3.410 20 5 GGBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000150978460 1417847922 /nfs/dbraw/zinc/84/79/22/1417847922.db2.gz IZGKHWLADHHLID-IAGOWNOFSA-N 1 0 397.475 3.246 20 5 GGBDRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000151011888 1417855285 /nfs/dbraw/zinc/85/52/85/1417855285.db2.gz UVIIPKTYJNOYJQ-SFHVURJKSA-N 1 0 384.436 3.093 20 5 GGBDRO COc1ccc([C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000151030164 1417858936 /nfs/dbraw/zinc/85/89/36/1417858936.db2.gz ZGALBYBNOIJKGU-NRFANRHFSA-N 1 0 397.475 3.489 20 5 GGBDRO Cc1cc(C(=O)Nc2cccc(C(=O)OC3CC[NH2+]CC3)c2)cc([N+](=O)[O-])c1 ZINC000151108102 1417873654 /nfs/dbraw/zinc/87/36/54/1417873654.db2.gz ASKBEGIHMCJVOX-UHFFFAOYSA-N 1 0 383.404 3.064 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000151121390 1417876740 /nfs/dbraw/zinc/87/67/40/1417876740.db2.gz CVKOLNTZKMTUBR-UHFFFAOYSA-N 1 0 389.452 3.464 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000151138613 1417879869 /nfs/dbraw/zinc/87/98/69/1417879869.db2.gz JWSJZRBQVYJJII-CQSZACIVSA-N 1 0 391.468 3.366 20 5 GGBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000151248965 1417902967 /nfs/dbraw/zinc/90/29/67/1417902967.db2.gz PDXRYEYWWBNTHJ-JTQLQIEISA-N 1 0 390.665 3.225 20 5 GGBDRO COc1cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)ccc1OCc1ccccc1 ZINC000151249331 1417903794 /nfs/dbraw/zinc/90/37/94/1417903794.db2.gz HKVHSECFORLNJS-UHFFFAOYSA-N 1 0 382.420 3.169 20 5 GGBDRO O=C(Nc1cccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1)c1ccc(Cl)cc1 ZINC000151263393 1417907738 /nfs/dbraw/zinc/90/77/38/1417907738.db2.gz RUQQXMHUHYTRIA-UHFFFAOYSA-N 1 0 399.838 3.487 20 5 GGBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1 ZINC000151279880 1417912948 /nfs/dbraw/zinc/91/29/48/1417912948.db2.gz VVSRUQGPEMIFBK-UHFFFAOYSA-N 1 0 391.771 3.403 20 5 GGBDRO Cc1ccc([C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)[NH+]2CCCC2)o1 ZINC000151497932 1418004044 /nfs/dbraw/zinc/00/40/44/1418004044.db2.gz QYETVZQYGQWHHX-QGZVFWFLSA-N 1 0 375.400 3.131 20 5 GGBDRO COCc1nc2n(n1)C[C@H]([NH2+]Cc1ccc(-c3ccccc3[N+](=O)[O-])s1)CC2 ZINC000151549352 1418021219 /nfs/dbraw/zinc/02/12/19/1418021219.db2.gz YSFGNRPFJPCMCI-CYBMUJFWSA-N 1 0 399.476 3.166 20 5 GGBDRO Cc1ccc(S(=O)(=O)N(CC[NH+]2CCCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000151674314 1418057141 /nfs/dbraw/zinc/05/71/41/1418057141.db2.gz SIHGGZOQDCSJAO-UHFFFAOYSA-N 1 0 389.477 3.194 20 5 GGBDRO CN(C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000151762180 1418080919 /nfs/dbraw/zinc/08/09/19/1418080919.db2.gz YFDIMEGKHAEDME-IBGZPJMESA-N 1 0 396.447 3.013 20 5 GGBDRO CN(C(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000151788189 1418086884 /nfs/dbraw/zinc/08/68/84/1418086884.db2.gz XNGLAIBPOHBCFB-LJQANCHMSA-N 1 0 396.447 3.013 20 5 GGBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000151983083 1418112484 /nfs/dbraw/zinc/11/24/84/1418112484.db2.gz NYHSOGWKUKSGHT-QGZVFWFLSA-N 1 0 375.400 3.052 20 5 GGBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)COc2cccc(C)c2[N+](=O)[O-])CC1 ZINC000178986082 1429235068 /nfs/dbraw/zinc/23/50/68/1429235068.db2.gz DUVHDXTZKYGGKU-UHFFFAOYSA-N 1 0 397.475 3.371 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000178991603 1429236521 /nfs/dbraw/zinc/23/65/21/1429236521.db2.gz SHFSGKIUZRJVJT-CQSZACIVSA-N 1 0 399.451 3.346 20 5 GGBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000152075784 1418138472 /nfs/dbraw/zinc/13/84/72/1418138472.db2.gz RFCDQQGBBQOHEY-HNNXBMFYSA-N 1 0 389.402 3.467 20 5 GGBDRO C[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)[N@H+](C)C1CC1 ZINC000152091046 1418142509 /nfs/dbraw/zinc/14/25/09/1418142509.db2.gz PFWQDOBHJUIQLF-MRVPVSSYSA-N 1 0 390.665 3.223 20 5 GGBDRO Cn1cc(C[NH2+]CCOc2ccc(Cl)cn2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000152131272 1418152930 /nfs/dbraw/zinc/15/29/30/1418152930.db2.gz BZJAQWGTMLUNGC-UHFFFAOYSA-N 1 0 387.827 3.212 20 5 GGBDRO COc1ccc([C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000152266355 1418189066 /nfs/dbraw/zinc/18/90/66/1418189066.db2.gz KHQGGHASYIMMHW-FQEVSTJZSA-N 1 0 383.448 3.099 20 5 GGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@]2(O)CCOC2)ccc1Oc1ccccc1Cl ZINC000179020264 1429243710 /nfs/dbraw/zinc/24/37/10/1429243710.db2.gz BUCHSXUSDWCHLM-GOSISDBHSA-N 1 0 378.812 3.282 20 5 GGBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C[C@]2(O)CCOC2)cc1 ZINC000179025251 1429244959 /nfs/dbraw/zinc/24/49/59/1429244959.db2.gz BHEKEJLMKZRKMC-GOSISDBHSA-N 1 0 378.812 3.282 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179516223 1429405178 /nfs/dbraw/zinc/40/51/78/1429405178.db2.gz JKSBOBSZAQYWQX-OAHLLOKOSA-N 1 0 398.467 3.107 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179562357 1429434343 /nfs/dbraw/zinc/43/43/43/1429434343.db2.gz WCRHPVCVAIPKJP-UHFFFAOYSA-N 1 0 388.855 3.219 20 5 GGBDRO O=C1CCCN1C[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000179568338 1429440574 /nfs/dbraw/zinc/44/05/74/1429440574.db2.gz YVUKDICJDPIOBT-HXUWFJFHSA-N 1 0 383.448 3.317 20 5 GGBDRO COc1cc(C)c([C@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000179629137 1429479351 /nfs/dbraw/zinc/47/93/51/1429479351.db2.gz KQIVNHBQTCYVLK-AWEZNQCLSA-N 1 0 387.436 3.234 20 5 GGBDRO COc1cc(C)c([C@@H](C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1OC ZINC000179626825 1429477504 /nfs/dbraw/zinc/47/75/04/1429477504.db2.gz IVVUWOXCVIUYSJ-CQSZACIVSA-N 1 0 399.447 3.160 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179647354 1429488556 /nfs/dbraw/zinc/48/85/56/1429488556.db2.gz YYWYOCUERYQNJA-AWEZNQCLSA-N 1 0 399.447 3.112 20 5 GGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179655965 1429493262 /nfs/dbraw/zinc/49/32/62/1429493262.db2.gz UPBDSANRQFOQRO-HNNXBMFYSA-N 1 0 383.448 3.146 20 5 GGBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(OCc2ccccn2)c1 ZINC000179686179 1429507021 /nfs/dbraw/zinc/50/70/21/1429507021.db2.gz AVPFUSYIINHVMB-MRXNPFEDSA-N 1 0 394.431 3.081 20 5 GGBDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000179699606 1429513019 /nfs/dbraw/zinc/51/30/19/1429513019.db2.gz ZCCZJYBXPQLZEF-UHFFFAOYSA-N 1 0 397.479 3.165 20 5 GGBDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000152377666 1422087185 /nfs/dbraw/zinc/08/71/85/1422087185.db2.gz YZTHWNKFCMOXJR-UHFFFAOYSA-N 1 0 397.479 3.167 20 5 GGBDRO O=C(c1cc(N2CC[NH+](C3CCCCC3)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000152436055 1422103186 /nfs/dbraw/zinc/10/31/86/1422103186.db2.gz KNWRFYZSMPTUNB-UHFFFAOYSA-N 1 0 386.496 3.286 20 5 GGBDRO CN(C(=O)C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000179741802 1429532077 /nfs/dbraw/zinc/53/20/77/1429532077.db2.gz LCTMBSYNKZQAJV-OAQYLSRUSA-N 1 0 397.431 3.070 20 5 GGBDRO COc1cccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[NH+](C)C)c1 ZINC000152532292 1422133620 /nfs/dbraw/zinc/13/36/20/1422133620.db2.gz XDXQTRLJWMAITD-KRWDZBQOSA-N 1 0 377.828 3.290 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)NCC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000152618962 1422170277 /nfs/dbraw/zinc/17/02/77/1422170277.db2.gz BFHIEUFRAJOWCB-HZPDHXFCSA-N 1 0 397.479 3.282 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000152769121 1422241926 /nfs/dbraw/zinc/24/19/26/1422241926.db2.gz GFZCGYWPWLGQIH-INIZCTEOSA-N 1 0 395.525 3.260 20 5 GGBDRO O=C(N[C@H]1CCN(c2ccccn2)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000152848124 1422270367 /nfs/dbraw/zinc/27/03/67/1422270367.db2.gz ZJHCVFBXRWTMIV-ZDUSSCGKSA-N 1 0 380.326 3.017 20 5 GGBDRO CC(C)(NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000179759605 1429543986 /nfs/dbraw/zinc/54/39/86/1429543986.db2.gz AUIIWTYXSFLAMH-UHFFFAOYSA-N 1 0 397.479 3.441 20 5 GGBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)c1 ZINC000153053438 1422340494 /nfs/dbraw/zinc/34/04/94/1422340494.db2.gz IIDXOTTZCRXIRW-JLJPHGGASA-N 1 0 398.385 3.097 20 5 GGBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c1 ZINC000153053514 1422340573 /nfs/dbraw/zinc/34/05/73/1422340573.db2.gz IIDXOTTZCRXIRW-YSVLISHTSA-N 1 0 398.385 3.097 20 5 GGBDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000153115130 1422362146 /nfs/dbraw/zinc/36/21/46/1422362146.db2.gz UNMXZVZXKUOBPM-UHFFFAOYSA-N 1 0 386.408 3.143 20 5 GGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000153170249 1422380967 /nfs/dbraw/zinc/38/09/67/1422380967.db2.gz BKXUEMGLUUOSSP-CZUORRHYSA-N 1 0 378.400 3.223 20 5 GGBDRO CCOc1ccc([C@H](C)[NH2+]CCNC(=O)c2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000153316836 1422464834 /nfs/dbraw/zinc/46/48/34/1422464834.db2.gz GPDRNIDTLKFBRT-AWEZNQCLSA-N 1 0 387.436 3.083 20 5 GGBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@@H](O)COc2cccc3[nH]ccc32)C2CC2)c1 ZINC000153322177 1422468951 /nfs/dbraw/zinc/46/89/51/1422468951.db2.gz KEGUWYACRQCIAT-GOSISDBHSA-N 1 0 381.432 3.480 20 5 GGBDRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)cc21 ZINC000153353056 1422486475 /nfs/dbraw/zinc/48/64/75/1422486475.db2.gz XTVWITYYYWEPKT-UHFFFAOYSA-N 1 0 392.419 3.240 20 5 GGBDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000153352499 1422487248 /nfs/dbraw/zinc/48/72/48/1422487248.db2.gz KKBBFANRLFZYAQ-UHFFFAOYSA-N 1 0 391.855 3.087 20 5 GGBDRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)cc21 ZINC000153359841 1422492962 /nfs/dbraw/zinc/49/29/62/1422492962.db2.gz LOHGTNRTRLZLHF-UHFFFAOYSA-N 1 0 385.399 3.085 20 5 GGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000153372309 1422501678 /nfs/dbraw/zinc/50/16/78/1422501678.db2.gz AVYHBWMMSKXVJB-SUMWQHHRSA-N 1 0 375.494 3.406 20 5 GGBDRO CSc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(O)c2)cc1[N+](=O)[O-] ZINC000153442142 1422539320 /nfs/dbraw/zinc/53/93/20/1422539320.db2.gz LTUAOQDZPLWMRU-UHFFFAOYSA-N 1 0 389.477 3.226 20 5 GGBDRO C[NH+]1CCN(Cc2ccc(CNc3ncc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000153587380 1422635165 /nfs/dbraw/zinc/63/51/65/1422635165.db2.gz FRRWHBRAEHQPEQ-UHFFFAOYSA-N 1 0 375.860 3.003 20 5 GGBDRO CN(C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000153600445 1422641022 /nfs/dbraw/zinc/64/10/22/1422641022.db2.gz AJRRIWANIZNPAY-GFCCVEGCSA-N 1 0 391.415 3.258 20 5 GGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000153633764 1422661969 /nfs/dbraw/zinc/66/19/69/1422661969.db2.gz LQPBCOANBVOFLY-GXTWGEPZSA-N 1 0 396.390 3.362 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1cccc(F)c1 ZINC000153726632 1422724806 /nfs/dbraw/zinc/72/48/06/1422724806.db2.gz PZPNVRYBUUZKQB-IBGZPJMESA-N 1 0 386.427 3.105 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000153840766 1422792643 /nfs/dbraw/zinc/79/26/43/1422792643.db2.gz CGBMJXHJXHYDOJ-AEFFLSMTSA-N 1 0 395.525 3.011 20 5 GGBDRO Cc1cc(NC(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000153842426 1422793378 /nfs/dbraw/zinc/79/33/78/1422793378.db2.gz ILXKPLGHWIRVBX-HOTGVXAUSA-N 1 0 390.484 3.256 20 5 GGBDRO O=[N+]([O-])c1cc(Cl)cnc1NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000153857076 1422800320 /nfs/dbraw/zinc/80/03/20/1422800320.db2.gz NXMXXRAJYNPAHY-UHFFFAOYSA-N 1 0 376.844 3.212 20 5 GGBDRO Cc1ccc(NCCCNC(=O)NC2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000153884695 1422805343 /nfs/dbraw/zinc/80/53/43/1422805343.db2.gz WNBSWXIJQUQEKG-UHFFFAOYSA-N 1 0 391.516 3.267 20 5 GGBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[N@H+](C)Cc1ccccc1 ZINC000153899315 1422807497 /nfs/dbraw/zinc/80/74/97/1422807497.db2.gz QZKXSBWNESNAQK-HNNXBMFYSA-N 1 0 378.432 3.393 20 5 GGBDRO CCO[C@@H]1C[C@@H]([N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C12CCC2 ZINC000153959382 1422817311 /nfs/dbraw/zinc/81/73/11/1422817311.db2.gz NINHBZNCVKKBRB-QZTJIDSGSA-N 1 0 389.452 3.172 20 5 GGBDRO COc1cc(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000153980511 1422820406 /nfs/dbraw/zinc/82/04/06/1422820406.db2.gz BOMQUEGIMYGTQA-UHFFFAOYSA-N 1 0 375.469 3.332 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@@H](Oc4ccncc4)C3)o2)c1 ZINC000154019925 1422827001 /nfs/dbraw/zinc/82/70/01/1422827001.db2.gz ISZKHDPJCYEZGJ-GOSISDBHSA-N 1 0 380.404 3.341 20 5 GGBDRO CCO[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C12CCC2 ZINC000154032889 1422829064 /nfs/dbraw/zinc/82/90/64/1422829064.db2.gz RWVWJASDTKKHJH-ROUUACIJSA-N 1 0 391.468 3.212 20 5 GGBDRO CCOCc1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1OC ZINC000179818178 1429590567 /nfs/dbraw/zinc/59/05/67/1429590567.db2.gz VXFRAXOCRNBYAX-KRWDZBQOSA-N 1 0 386.452 3.221 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000154081798 1422837659 /nfs/dbraw/zinc/83/76/59/1422837659.db2.gz URNRBPLALUQIEQ-IOMROCGXSA-N 1 0 383.492 3.437 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc1 ZINC000154217539 1422856773 /nfs/dbraw/zinc/85/67/73/1422856773.db2.gz SPAGXPSBJMQZQL-ZIAGYGMSSA-N 1 0 385.420 3.218 20 5 GGBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)CC[C@@H]21 ZINC000154254479 1422862486 /nfs/dbraw/zinc/86/24/86/1422862486.db2.gz WCFSFRJNFOGHJU-YOEHRIQHSA-N 1 0 386.477 3.275 20 5 GGBDRO CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154545182 1422918872 /nfs/dbraw/zinc/91/88/72/1422918872.db2.gz YQFXAQLEKKJPLG-QFBILLFUSA-N 1 0 381.473 3.157 20 5 GGBDRO C[NH+](C)Cc1ccc(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1F ZINC000154588609 1422946744 /nfs/dbraw/zinc/94/67/44/1422946744.db2.gz KUJSWPCJCZSGCM-UHFFFAOYSA-N 1 0 386.427 3.300 20 5 GGBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000154805144 1423039779 /nfs/dbraw/zinc/03/97/79/1423039779.db2.gz XMGVFOQFMYWRNP-KDOFPFPSSA-N 1 0 380.448 3.232 20 5 GGBDRO Cc1ccc([C@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)[NH+]2CCCC2)o1 ZINC000154818428 1423044163 /nfs/dbraw/zinc/04/41/63/1423044163.db2.gz FLSSZRFOEIYMEY-IBGZPJMESA-N 1 0 398.463 3.401 20 5 GGBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000154871915 1423062052 /nfs/dbraw/zinc/06/20/52/1423062052.db2.gz DKPZTJLADHALSG-UHFFFAOYSA-N 1 0 386.496 3.286 20 5 GGBDRO Cn1cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000154953659 1423090114 /nfs/dbraw/zinc/09/01/14/1423090114.db2.gz OLHLTUMNLSXMPS-UHFFFAOYSA-N 1 0 397.479 3.086 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000179857623 1429612793 /nfs/dbraw/zinc/61/27/93/1429612793.db2.gz TWILEJFWWPYQDR-ROUUACIJSA-N 1 0 389.496 3.018 20 5 GGBDRO CN(C)[C@H](CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccco1 ZINC000155115978 1423174601 /nfs/dbraw/zinc/17/46/01/1423174601.db2.gz AIHCTFGCQFHCIJ-CYBMUJFWSA-N 1 0 397.229 3.375 20 5 GGBDRO CN(C)[C@@H](CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccco1 ZINC000155115883 1423175115 /nfs/dbraw/zinc/17/51/15/1423175115.db2.gz AIHCTFGCQFHCIJ-ZDUSSCGKSA-N 1 0 397.229 3.375 20 5 GGBDRO O=[N+]([O-])c1cnn(CN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c1 ZINC000155174153 1423212737 /nfs/dbraw/zinc/21/27/37/1423212737.db2.gz XPFQDUXOVPMYCV-UHFFFAOYSA-N 1 0 375.432 3.136 20 5 GGBDRO CC(C)[NH+]1CCC(NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000155189150 1423227711 /nfs/dbraw/zinc/22/77/11/1423227711.db2.gz ACVJKXOQOJXUFA-UHFFFAOYSA-N 1 0 385.262 3.352 20 5 GGBDRO Cc1ccc([C@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)[NH+](C)C)cc1 ZINC000155209912 1423247762 /nfs/dbraw/zinc/24/77/62/1423247762.db2.gz IUBGJWLPWNTRQO-FQEVSTJZSA-N 1 0 382.464 3.274 20 5 GGBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[NH+](C2CCCC2)CC1 ZINC000155227171 1423258123 /nfs/dbraw/zinc/25/81/23/1423258123.db2.gz AFXOHDPBYXOKHD-UHFFFAOYSA-N 1 0 397.273 3.449 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000155258137 1423280438 /nfs/dbraw/zinc/28/04/38/1423280438.db2.gz NJPFIRPFXKTLEQ-OAHLLOKOSA-N 1 0 393.447 3.208 20 5 GGBDRO COc1ccc(OCC[NH2+]C(C)(C)C(=O)NCC2CCCCC2)c([N+](=O)[O-])c1 ZINC000155306386 1423309778 /nfs/dbraw/zinc/30/97/78/1423309778.db2.gz IZXGVPYUBMFDLL-UHFFFAOYSA-N 1 0 393.484 3.047 20 5 GGBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000155344248 1423326350 /nfs/dbraw/zinc/32/63/50/1423326350.db2.gz LSVGGLJQOFXOJY-MRXNPFEDSA-N 1 0 398.463 3.101 20 5 GGBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@@H]21 ZINC000155371134 1423337518 /nfs/dbraw/zinc/33/75/18/1423337518.db2.gz YISQQSYARDEXQU-YOEHRIQHSA-N 1 0 386.477 3.275 20 5 GGBDRO Nc1c(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000155430057 1423360218 /nfs/dbraw/zinc/36/02/18/1423360218.db2.gz CVUJLXFNALFIQN-UHFFFAOYSA-N 1 0 384.436 3.294 20 5 GGBDRO CN1CCC([N@H+](CCO)Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000155504196 1423390298 /nfs/dbraw/zinc/39/02/98/1423390298.db2.gz OENIQAGAWKIPAI-UHFFFAOYSA-N 1 0 393.871 3.397 20 5 GGBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000155515430 1423395789 /nfs/dbraw/zinc/39/57/89/1423395789.db2.gz SSTGJVKEDQSCCV-OAHLLOKOSA-N 1 0 397.479 3.011 20 5 GGBDRO O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000155528059 1423401280 /nfs/dbraw/zinc/40/12/80/1423401280.db2.gz MURNDVMRYPZKJY-UHFFFAOYSA-N 1 0 386.408 3.255 20 5 GGBDRO COc1cc(C[N@H+](C[C@@H]2CCOC2)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179924826 1429643604 /nfs/dbraw/zinc/64/36/04/1429643604.db2.gz ZQCVWSMBHCBFSC-LBPRGKRZSA-N 1 0 386.395 3.248 20 5 GGBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000156171221 1423704947 /nfs/dbraw/zinc/70/49/47/1423704947.db2.gz IWBARZBKPNJDBM-HLLBOEOZSA-N 1 0 397.479 3.362 20 5 GGBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000156171342 1423704991 /nfs/dbraw/zinc/70/49/91/1423704991.db2.gz IWBARZBKPNJDBM-BFYDXBDKSA-N 1 0 397.479 3.362 20 5 GGBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000156331484 1423783519 /nfs/dbraw/zinc/78/35/19/1423783519.db2.gz RCDHIPPXWVXUAM-RYUDHWBXSA-N 1 0 388.390 3.001 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000156489341 1423817436 /nfs/dbraw/zinc/81/74/36/1423817436.db2.gz XZGNXDFXQRTMTL-INIZCTEOSA-N 1 0 396.447 3.057 20 5 GGBDRO Nc1c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000156581980 1423831891 /nfs/dbraw/zinc/83/18/91/1423831891.db2.gz MCFQRRYDAMJVRS-HKUYNNGSSA-N 1 0 394.475 3.304 20 5 GGBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000156607917 1423835364 /nfs/dbraw/zinc/83/53/64/1423835364.db2.gz XYOOSYRKQRALIF-AWEZNQCLSA-N 1 0 379.432 3.365 20 5 GGBDRO Nc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000156621203 1423837254 /nfs/dbraw/zinc/83/72/54/1423837254.db2.gz GVUINDNAZXSLTE-QUCCMNQESA-N 1 0 394.475 3.304 20 5 GGBDRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)c1 ZINC000156690092 1423848992 /nfs/dbraw/zinc/84/89/92/1423848992.db2.gz RNKORBOBVKFRJW-UHFFFAOYSA-N 1 0 387.484 3.189 20 5 GGBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000157212756 1423957166 /nfs/dbraw/zinc/95/71/66/1423957166.db2.gz JZGBMXOOVNACFJ-YLJYHZDGSA-N 1 0 389.499 3.097 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(F)c1 ZINC000180010619 1429689605 /nfs/dbraw/zinc/68/96/05/1429689605.db2.gz UCVZZQOHZGVDKY-OAHLLOKOSA-N 1 0 397.353 3.368 20 5 GGBDRO CC1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CC[NH+](Cc2ccccc2)CC1 ZINC000157454147 1424014620 /nfs/dbraw/zinc/01/46/20/1424014620.db2.gz VIIAXIQDVMKWLQ-UHFFFAOYSA-N 1 0 396.491 3.425 20 5 GGBDRO Cc1c([C@@H](C)[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000180020264 1429696826 /nfs/dbraw/zinc/69/68/26/1429696826.db2.gz HIZXFJXWNIUCRZ-OAHLLOKOSA-N 1 0 383.514 3.004 20 5 GGBDRO CCC[C@@H]([NH2+]C1CCN(S(=O)(=O)CC(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000180014435 1429691776 /nfs/dbraw/zinc/69/17/76/1429691776.db2.gz VZKORXFKIRJAGA-LJQANCHMSA-N 1 0 397.541 3.476 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000157651566 1424057665 /nfs/dbraw/zinc/05/76/65/1424057665.db2.gz MXWWIBHUXHHVLR-QGZVFWFLSA-N 1 0 389.496 3.477 20 5 GGBDRO C[C@H]1CN(c2ccc(C[NH2+][C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)cn2)CCO1 ZINC000157690312 1424065635 /nfs/dbraw/zinc/06/56/35/1424065635.db2.gz HRGNSDNDASCLFO-JXFKEZNVSA-N 1 0 396.491 3.326 20 5 GGBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1SCCOC ZINC000157706483 1424069465 /nfs/dbraw/zinc/06/94/65/1424069465.db2.gz OUOCDLVOBBBSEY-HNNXBMFYSA-N 1 0 395.525 3.328 20 5 GGBDRO COc1ccccc1[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000157859279 1424106169 /nfs/dbraw/zinc/10/61/69/1424106169.db2.gz OHRAUNOHTDWOTQ-HNNXBMFYSA-N 1 0 399.447 3.430 20 5 GGBDRO CC[N@H+](CC(C)(C)O)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000158151754 1424180102 /nfs/dbraw/zinc/18/01/02/1424180102.db2.gz BHAMQXUGXVMXOY-GFCCVEGCSA-N 1 0 392.481 3.138 20 5 GGBDRO CO[C@@H]1CC[C@H]2OCC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)[C@@H]2C1 ZINC000158292176 1424218847 /nfs/dbraw/zinc/21/88/47/1424218847.db2.gz ODBMIAQUXYWRET-KZNAEPCWSA-N 1 0 387.436 3.061 20 5 GGBDRO CN(C(=O)CCC[NH+]1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000158309359 1424222589 /nfs/dbraw/zinc/22/25/89/1424222589.db2.gz ZGKMLGJGUHDJRO-UHFFFAOYSA-N 1 0 382.464 3.160 20 5 GGBDRO CC(C)NC(=O)c1ccc(NCC2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC000180041941 1429709785 /nfs/dbraw/zinc/70/97/85/1429709785.db2.gz DFRCNDDJDWLFHO-UHFFFAOYSA-N 1 0 397.479 3.457 20 5 GGBDRO COc1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000158508055 1424275234 /nfs/dbraw/zinc/27/52/34/1424275234.db2.gz BZHCNLFGVAOBSA-JSGCOSHPSA-N 1 0 385.411 3.121 20 5 GGBDRO O=C(CC[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000158709768 1424324329 /nfs/dbraw/zinc/32/43/29/1424324329.db2.gz ZENGYOSDZXZTFV-NRFANRHFSA-N 1 0 381.432 3.097 20 5 GGBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000158939818 1424377168 /nfs/dbraw/zinc/37/71/68/1424377168.db2.gz XYODCWJCLGBEHZ-UHFFFAOYSA-N 1 0 399.488 3.011 20 5 GGBDRO Cc1ccc(S(=O)(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000158940415 1424377844 /nfs/dbraw/zinc/37/78/44/1424377844.db2.gz RWWPHHUUNKIYEO-UHFFFAOYSA-N 1 0 395.525 3.180 20 5 GGBDRO COc1cccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)[NH+]2CCCC2)c1 ZINC000159098034 1424416503 /nfs/dbraw/zinc/41/65/03/1424416503.db2.gz TVJAQYOCRFNTPI-LJQANCHMSA-N 1 0 399.447 3.179 20 5 GGBDRO O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159378159 1424497828 /nfs/dbraw/zinc/49/78/28/1424497828.db2.gz JSASVCUCLIFUIS-NRFANRHFSA-N 1 0 380.448 3.033 20 5 GGBDRO CC(C)c1ccc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000159422786 1424501479 /nfs/dbraw/zinc/50/14/79/1424501479.db2.gz WQEIJENPEQHDTF-INIZCTEOSA-N 1 0 383.514 3.012 20 5 GGBDRO COc1ccc([C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2C)[NH+]2CCCC2)cc1 ZINC000159433284 1424502212 /nfs/dbraw/zinc/50/22/12/1424502212.db2.gz IOPZCOQOSPKLPK-OAQYLSRUSA-N 1 0 397.475 3.408 20 5 GGBDRO COc1cc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)ccc1OCC(C)C ZINC000180087179 1429731267 /nfs/dbraw/zinc/73/12/67/1429731267.db2.gz ALDHVMORWJRICR-HNNXBMFYSA-N 1 0 389.452 3.151 20 5 GGBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000159652970 1424521572 /nfs/dbraw/zinc/52/15/72/1424521572.db2.gz WTKTWHALZMOXGM-UHFFFAOYSA-N 1 0 382.464 3.233 20 5 GGBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2cccc(N(C)C)c2)c([N+](=O)[O-])c1 ZINC000159820652 1424539683 /nfs/dbraw/zinc/53/96/83/1424539683.db2.gz QAABNXJXLUJRSO-UHFFFAOYSA-N 1 0 386.452 3.130 20 5 GGBDRO CC[N@H+](C[C@@H](O)c1ccc(C)cc1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000159931782 1424553821 /nfs/dbraw/zinc/55/38/21/1424553821.db2.gz STILKUFTWCYCDI-WOJBJXKFSA-N 1 0 383.448 3.064 20 5 GGBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000160128646 1424576588 /nfs/dbraw/zinc/57/65/88/1424576588.db2.gz YNLXMFHIFOWABQ-UHFFFAOYSA-N 1 0 395.341 3.363 20 5 GGBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1ccsc1 ZINC000160152833 1424579873 /nfs/dbraw/zinc/57/98/73/1424579873.db2.gz COVUBFCYVUJXFQ-MRXNPFEDSA-N 1 0 377.466 3.478 20 5 GGBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000160275403 1424591941 /nfs/dbraw/zinc/59/19/41/1424591941.db2.gz VLANNFANOUGMTL-IRXDYDNUSA-N 1 0 376.501 3.195 20 5 GGBDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H](C)O1 ZINC000160485757 1424607401 /nfs/dbraw/zinc/60/74/01/1424607401.db2.gz NXHUUNSONJRQEG-GUTXKFCHSA-N 1 0 385.411 3.274 20 5 GGBDRO COc1cc(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)ccc1[N+](=O)[O-] ZINC000160500707 1424608436 /nfs/dbraw/zinc/60/84/36/1424608436.db2.gz KEVJLOBYJWBCBT-UHFFFAOYSA-N 1 0 383.448 3.306 20 5 GGBDRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000160617529 1424619634 /nfs/dbraw/zinc/61/96/34/1424619634.db2.gz GUBIABACQTXLGY-UHFFFAOYSA-N 1 0 375.375 3.267 20 5 GGBDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000160796150 1424635265 /nfs/dbraw/zinc/63/52/65/1424635265.db2.gz DYZKUBQNARIOLH-UWVGGRQHSA-N 1 0 398.250 3.087 20 5 GGBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000160796410 1424635276 /nfs/dbraw/zinc/63/52/76/1424635276.db2.gz DYZKUBQNARIOLH-ZJUUUORDSA-N 1 0 398.250 3.087 20 5 GGBDRO CC[NH2+]CC1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000161057934 1424655160 /nfs/dbraw/zinc/65/51/60/1424655160.db2.gz SRVGXPNJWZMXHJ-UHFFFAOYSA-N 1 0 377.488 3.003 20 5 GGBDRO CC[NH2+]CC1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 ZINC000161131957 1424660860 /nfs/dbraw/zinc/66/08/60/1424660860.db2.gz OBGOGCDZUDCUOD-UHFFFAOYSA-N 1 0 388.512 3.293 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161326835 1424677879 /nfs/dbraw/zinc/67/78/79/1424677879.db2.gz BOYJEVKEEHMRFP-ZIAGYGMSSA-N 1 0 385.420 3.395 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161326967 1424678112 /nfs/dbraw/zinc/67/81/12/1424678112.db2.gz BOYJEVKEEHMRFP-KGLIPLIRSA-N 1 0 385.420 3.395 20 5 GGBDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000161438833 1424689924 /nfs/dbraw/zinc/68/99/24/1424689924.db2.gz MROAZFMHUVSUQP-KGLIPLIRSA-N 1 0 377.466 3.223 20 5 GGBDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000161447264 1424690030 /nfs/dbraw/zinc/69/00/30/1424690030.db2.gz VSWGCGOCKVKHDQ-ZIAGYGMSSA-N 1 0 377.466 3.223 20 5 GGBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1)c1cccc([N+](=O)[O-])c1 ZINC000161468226 1424693740 /nfs/dbraw/zinc/69/37/40/1424693740.db2.gz HBZUKUSUEIVZOF-SCLBCKFNSA-N 1 0 377.466 3.305 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000161554314 1424709448 /nfs/dbraw/zinc/70/94/48/1424709448.db2.gz DHUUEZOXTOTWHG-KGLIPLIRSA-N 1 0 377.466 3.257 20 5 GGBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000161648775 1424732346 /nfs/dbraw/zinc/73/23/46/1424732346.db2.gz GXUIXOVHATXGRR-FQEVSTJZSA-N 1 0 397.475 3.356 20 5 GGBDRO CC(C)NC(=O)c1ccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000161882433 1424787255 /nfs/dbraw/zinc/78/72/55/1424787255.db2.gz YYOUUWWVIMTFAQ-SJLPKXTDSA-N 1 0 386.496 3.186 20 5 GGBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000180137291 1429753637 /nfs/dbraw/zinc/75/36/37/1429753637.db2.gz NFJXUTNXTCKWDJ-UKRRQHHQSA-N 1 0 388.411 3.373 20 5 GGBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000180137278 1429753668 /nfs/dbraw/zinc/75/36/68/1429753668.db2.gz NFJXUTNXTCKWDJ-HIFRSBDPSA-N 1 0 388.411 3.373 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1SC ZINC000161962094 1424803516 /nfs/dbraw/zinc/80/35/16/1424803516.db2.gz PQQJKRZMYGTKTM-ZDUSSCGKSA-N 1 0 381.498 3.033 20 5 GGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2OCCN2CCOCC2)cc1[N+](=O)[O-] ZINC000162024039 1424809629 /nfs/dbraw/zinc/80/96/29/1424809629.db2.gz HLERCXFXEPELLN-GOSISDBHSA-N 1 0 399.491 3.465 20 5 GGBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000162044378 1424811264 /nfs/dbraw/zinc/81/12/64/1424811264.db2.gz NHGOTOFVEUICEO-AWEZNQCLSA-N 1 0 388.493 3.426 20 5 GGBDRO Cc1c(CC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000162126574 1424818024 /nfs/dbraw/zinc/81/80/24/1424818024.db2.gz AQSHVFJPHWTPCB-UHFFFAOYSA-N 1 0 385.439 3.366 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000162529651 1424862503 /nfs/dbraw/zinc/86/25/03/1424862503.db2.gz HNKZIDZLXUSAHG-IYBDPMFKSA-N 1 0 390.484 3.256 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000163010255 1424923148 /nfs/dbraw/zinc/92/31/48/1424923148.db2.gz FTKCASWKMIUHBL-CRAIPNDOSA-N 1 0 378.473 3.162 20 5 GGBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000164090619 1425075597 /nfs/dbraw/zinc/07/55/97/1425075597.db2.gz KLLRJNSRSFJSTA-VQIMIIECSA-N 1 0 386.496 3.141 20 5 GGBDRO C[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000170504484 1425263602 /nfs/dbraw/zinc/26/36/02/1425263602.db2.gz NCRQXMQIVPFODM-UHFFFAOYSA-N 1 0 388.855 3.248 20 5 GGBDRO O=C1CCc2cc([N+](=O)[O-])c(Nc3ccc(CC[NH+]4CCOCC4)cc3)cc2N1 ZINC000170639859 1425271341 /nfs/dbraw/zinc/27/13/41/1425271341.db2.gz NTHNQTFALDRIIT-UHFFFAOYSA-N 1 0 396.447 3.098 20 5 GGBDRO C[NH+](C)CCOc1ccc(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)cc1 ZINC000170639723 1425271381 /nfs/dbraw/zinc/27/13/81/1425271381.db2.gz WTAOPBAOKRSSRD-UHFFFAOYSA-N 1 0 384.436 3.032 20 5 GGBDRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000170647308 1425274383 /nfs/dbraw/zinc/27/43/83/1425274383.db2.gz XJGWMKKMROTBGX-OAHLLOKOSA-N 1 0 379.457 3.210 20 5 GGBDRO CN(C[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1)C(=O)OC(C)(C)C ZINC000170903464 1425386757 /nfs/dbraw/zinc/38/67/57/1425386757.db2.gz NYMTYZMQDIWUDT-CQSZACIVSA-N 1 0 389.456 3.091 20 5 GGBDRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc4ccccc4c4cccnc34)C2)CC1 ZINC000170949971 1425411186 /nfs/dbraw/zinc/41/11/86/1425411186.db2.gz STSRWBBXIDGGNU-IBGZPJMESA-N 1 0 388.515 3.240 20 5 GGBDRO O=[N+]([O-])c1cc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)c2c(c1)COCO2 ZINC000170970856 1425421406 /nfs/dbraw/zinc/42/14/06/1425421406.db2.gz LFQXHNKDCYEWPD-UHFFFAOYSA-N 1 0 388.395 3.396 20 5 GGBDRO Cn1cc(C[NH2+]C2CCN(CC(F)(F)F)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171052388 1425456618 /nfs/dbraw/zinc/45/66/18/1425456618.db2.gz PVBYAMDXBAJIEP-UHFFFAOYSA-N 1 0 397.401 3.112 20 5 GGBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000171202615 1425537799 /nfs/dbraw/zinc/53/77/99/1425537799.db2.gz FNHFFEOMVLPMKK-HXUWFJFHSA-N 1 0 397.479 3.186 20 5 GGBDRO Cc1ccc([C@@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)[NH+]2CCCC2)o1 ZINC000171239652 1425560504 /nfs/dbraw/zinc/56/05/04/1425560504.db2.gz KQSPRRSOVHPWTP-GOSISDBHSA-N 1 0 386.452 3.175 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1SC ZINC000171285339 1425593368 /nfs/dbraw/zinc/59/33/68/1425593368.db2.gz VDDQTFRTXORMKM-UHFFFAOYSA-N 1 0 381.498 3.318 20 5 GGBDRO O=C1CCc2cc([N+](=O)[O-])c(NC[C@H]3CC[N@H+](CCc4ccccc4)C3)cc2N1 ZINC000171367683 1425643613 /nfs/dbraw/zinc/64/36/13/1425643613.db2.gz CWTYDROPWKSPRI-QGZVFWFLSA-N 1 0 394.475 3.456 20 5 GGBDRO CCc1n[nH]c(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000171399804 1425662463 /nfs/dbraw/zinc/66/24/63/1425662463.db2.gz HMGFTQSMNNIPIN-CQSZACIVSA-N 1 0 385.468 3.042 20 5 GGBDRO CCc1n[nH]c(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000171400011 1425663157 /nfs/dbraw/zinc/66/31/57/1425663157.db2.gz MZTGMMXOGKMFKL-GJZGRUSLSA-N 1 0 399.495 3.288 20 5 GGBDRO Cc1cc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000171468596 1425692416 /nfs/dbraw/zinc/69/24/16/1425692416.db2.gz QCYUUEVWHDDTSW-UHFFFAOYSA-N 1 0 382.464 3.127 20 5 GGBDRO COc1cc(CN2CCC[C@@H]2C[NH+]2CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000171706786 1425797417 /nfs/dbraw/zinc/79/74/17/1425797417.db2.gz XVITVGQWVAWDGR-CQSZACIVSA-N 1 0 385.411 3.265 20 5 GGBDRO COc1cc(CN2CCC[C@H]2C[NH+]2CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000171706789 1425797864 /nfs/dbraw/zinc/79/78/64/1425797864.db2.gz XVITVGQWVAWDGR-AWEZNQCLSA-N 1 0 385.411 3.265 20 5 GGBDRO C[C@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000171881145 1425841658 /nfs/dbraw/zinc/84/16/58/1425841658.db2.gz PFEHRCQBINUXGC-MRXNPFEDSA-N 1 0 393.447 3.031 20 5 GGBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000171982284 1425867165 /nfs/dbraw/zinc/86/71/65/1425867165.db2.gz ITOXPOCWLDNZGI-SFHVURJKSA-N 1 0 390.531 3.391 20 5 GGBDRO Cc1cc(S(=O)(=O)N(CCC[NH+](C)C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000172015185 1425874146 /nfs/dbraw/zinc/87/41/46/1425874146.db2.gz HTUMOZAMHIXRET-UHFFFAOYSA-N 1 0 391.493 3.046 20 5 GGBDRO CC(C)C[N@@H+]1CCO[C@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000172112264 1425899286 /nfs/dbraw/zinc/89/92/86/1425899286.db2.gz DIJDXGMEIGIYOO-GOSISDBHSA-N 1 0 390.509 3.165 20 5 GGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3cccnc3)CC2)c(C(F)(F)F)c1 ZINC000172160549 1425926583 /nfs/dbraw/zinc/92/65/83/1425926583.db2.gz VWKJKOZUMCROIO-UHFFFAOYSA-N 1 0 380.370 3.373 20 5 GGBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000172204363 1425946223 /nfs/dbraw/zinc/94/62/23/1425946223.db2.gz GHOXCWFLTBUJER-LJQANCHMSA-N 1 0 382.464 3.401 20 5 GGBDRO CCOC(=O)c1ccnc(NCc2ccccc2C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000172362432 1426014971 /nfs/dbraw/zinc/01/49/71/1426014971.db2.gz CRBBTUIKGQDIKQ-UHFFFAOYSA-N 1 0 384.436 3.374 20 5 GGBDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCc4c3cccc4[N+](=O)[O-])cc2)CC1 ZINC000172421487 1426037223 /nfs/dbraw/zinc/03/72/23/1426037223.db2.gz XQZOHMONBTUHHD-UHFFFAOYSA-N 1 0 394.475 3.328 20 5 GGBDRO O=C(CN1CCC[N@@H+](C2CCCC2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000172585685 1426098900 /nfs/dbraw/zinc/09/89/00/1426098900.db2.gz DTYOMYUVIMATFF-UHFFFAOYSA-N 1 0 380.876 3.137 20 5 GGBDRO CC[C@H]([NH2+]CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000172618432 1426115261 /nfs/dbraw/zinc/11/52/61/1426115261.db2.gz BARURMHBDWKCKX-INIZCTEOSA-N 1 0 395.456 3.290 20 5 GGBDRO Cn1cc(C[NH2+]C[C@H](CCO)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000172685127 1426141954 /nfs/dbraw/zinc/14/19/54/1426141954.db2.gz URWJCACUIFNAKW-SFHVURJKSA-N 1 0 380.448 3.251 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000172698629 1426149412 /nfs/dbraw/zinc/14/94/12/1426149412.db2.gz MAOVCVZJUWGNOS-QGZVFWFLSA-N 1 0 382.464 3.401 20 5 GGBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000172706048 1426151986 /nfs/dbraw/zinc/15/19/86/1426151986.db2.gz OYNHWFFRTOKXAO-JKSUJKDBSA-N 1 0 377.510 3.410 20 5 GGBDRO O=[N+]([O-])c1cn(CN2CC[NH+](CC3CCCCC3)CC2)nc1-c1ccncc1 ZINC000172898429 1426245244 /nfs/dbraw/zinc/24/52/44/1426245244.db2.gz MARQKBGHABRAPH-UHFFFAOYSA-N 1 0 384.484 3.009 20 5 GGBDRO COc1ccc([C@@H]2CC[N@H+](Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C2)cc1 ZINC000172899719 1426245721 /nfs/dbraw/zinc/24/57/21/1426245721.db2.gz BMBKKYUIQDSLBC-QGZVFWFLSA-N 1 0 379.420 3.309 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000172909664 1426254524 /nfs/dbraw/zinc/25/45/24/1426254524.db2.gz UVQNLDWLKZEJQF-ZWKOTPCHSA-N 1 0 398.511 3.397 20 5 GGBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(C)(C)C[NH+](C)C ZINC000173056920 1426326370 /nfs/dbraw/zinc/32/63/70/1426326370.db2.gz NZMYNCMOXBVRAY-OAHLLOKOSA-N 1 0 376.501 3.291 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000173075112 1426332479 /nfs/dbraw/zinc/33/24/79/1426332479.db2.gz IGHWYRTULYXVSR-IRXDYDNUSA-N 1 0 397.475 3.442 20 5 GGBDRO COc1ccc([C@@H](CNc2nc3sccn3c2[N+](=O)[O-])[NH+](C)C)cc1OC ZINC000173085365 1426336021 /nfs/dbraw/zinc/33/60/21/1426336021.db2.gz BXCARKQEORUTTN-GFCCVEGCSA-N 1 0 391.453 3.036 20 5 GGBDRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(-n2cccn2)c1 ZINC000173206002 1426393371 /nfs/dbraw/zinc/39/33/71/1426393371.db2.gz LSKNQSJBQCCKRA-FOIQADDNSA-N 1 0 391.431 3.237 20 5 GGBDRO Cc1cc(C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000173206616 1426394186 /nfs/dbraw/zinc/39/41/86/1426394186.db2.gz GLNUGAUZWOPSEJ-INIZCTEOSA-N 1 0 382.464 3.222 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1SC ZINC000173276174 1426454047 /nfs/dbraw/zinc/45/40/47/1426454047.db2.gz PCYINLLMJSCDBV-AWEZNQCLSA-N 1 0 393.509 3.320 20 5 GGBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2(c3ccc(Cl)cc3)CCCCC2)c1 ZINC000173281806 1426459823 /nfs/dbraw/zinc/45/98/23/1426459823.db2.gz DOXDHEYBTHVTRR-QGZVFWFLSA-N 1 0 378.860 3.255 20 5 GGBDRO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000173348496 1426526721 /nfs/dbraw/zinc/52/67/21/1426526721.db2.gz NSVFDUYCQDSNHP-SFTDATJTSA-N 1 0 398.438 3.403 20 5 GGBDRO C[C@H]([NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173351739 1426528792 /nfs/dbraw/zinc/52/87/92/1426528792.db2.gz GMISJZIHWLNOIS-MGPUTAFESA-N 1 0 383.448 3.354 20 5 GGBDRO C[C@H]([NH2+]Cc1cccc(OCCN2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173353625 1426529832 /nfs/dbraw/zinc/52/98/32/1426529832.db2.gz VYHKEIUXGFWRPJ-KRWDZBQOSA-N 1 0 385.464 3.157 20 5 GGBDRO C[C@@H]([NH2+]Cc1ccccc1OCCN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000173359106 1426533669 /nfs/dbraw/zinc/53/36/69/1426533669.db2.gz KCEHHTKEVDBSMD-QGZVFWFLSA-N 1 0 385.464 3.157 20 5 GGBDRO C[C@H]([NH2+]Cc1ccccc1OCCN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000173359091 1426533816 /nfs/dbraw/zinc/53/38/16/1426533816.db2.gz KCEHHTKEVDBSMD-KRWDZBQOSA-N 1 0 385.464 3.157 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000173387694 1426565676 /nfs/dbraw/zinc/56/56/76/1426565676.db2.gz FIRNBDRQMRPYEA-HXUWFJFHSA-N 1 0 383.448 3.214 20 5 GGBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000173411699 1426595244 /nfs/dbraw/zinc/59/52/44/1426595244.db2.gz UGFFIFLWNXLXHI-UHFFFAOYSA-N 1 0 381.476 3.304 20 5 GGBDRO CC(C)[NH+]1CCC(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000173424060 1426606664 /nfs/dbraw/zinc/60/66/64/1426606664.db2.gz YGUPYJPLFYXUTF-UHFFFAOYSA-N 1 0 375.469 3.085 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000173431627 1426613354 /nfs/dbraw/zinc/61/33/54/1426613354.db2.gz IGYHWESQLJNFKJ-MAUKXSAKSA-N 1 0 377.485 3.024 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c1 ZINC000173521442 1426694960 /nfs/dbraw/zinc/69/49/60/1426694960.db2.gz XLRAMNCZEHBGLE-INIZCTEOSA-N 1 0 383.448 3.340 20 5 GGBDRO C[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000173529993 1426704532 /nfs/dbraw/zinc/70/45/32/1426704532.db2.gz IKCHISOMCXGQBM-QGZVFWFLSA-N 1 0 383.448 3.097 20 5 GGBDRO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000173594153 1426759460 /nfs/dbraw/zinc/75/94/60/1426759460.db2.gz QERVODRFBVQLRE-CQSZACIVSA-N 1 0 386.408 3.143 20 5 GGBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000173600352 1426768540 /nfs/dbraw/zinc/76/85/40/1426768540.db2.gz UXKCAVRWPGZXOJ-KRWDZBQOSA-N 1 0 388.512 3.002 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000173612247 1426789156 /nfs/dbraw/zinc/78/91/56/1426789156.db2.gz DWVOCEPTSNUBAH-UHFFFAOYSA-N 1 0 382.464 3.211 20 5 GGBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173645925 1426808715 /nfs/dbraw/zinc/80/87/15/1426808715.db2.gz HBBJVQPIOOLUIO-HXUWFJFHSA-N 1 0 382.464 3.045 20 5 GGBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000173765392 1426844465 /nfs/dbraw/zinc/84/44/65/1426844465.db2.gz CDSULLUPYGZRSG-ZWKOTPCHSA-N 1 0 378.860 3.423 20 5 GGBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000173765376 1426844486 /nfs/dbraw/zinc/84/44/86/1426844486.db2.gz CDSULLUPYGZRSG-ROUUACIJSA-N 1 0 378.860 3.423 20 5 GGBDRO COc1ccc(NC(=O)CC[NH+]2CCC(C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000173769708 1426845208 /nfs/dbraw/zinc/84/52/08/1426845208.db2.gz PJCGASQJJBVZNI-UHFFFAOYSA-N 1 0 375.347 3.206 20 5 GGBDRO CC[NH+](CC)C[C@@H]1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000173786058 1426851069 /nfs/dbraw/zinc/85/10/69/1426851069.db2.gz ZVIBVGMDDZYPGA-KBPBESRZSA-N 1 0 382.892 3.239 20 5 GGBDRO CN(CC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000173788095 1426851610 /nfs/dbraw/zinc/85/16/10/1426851610.db2.gz FCIFNLBAAAZYCF-UHFFFAOYSA-N 1 0 382.464 3.308 20 5 GGBDRO CC[NH+](CC)C[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000173790898 1426851919 /nfs/dbraw/zinc/85/19/19/1426851919.db2.gz SKTRKPFYLDQEGK-KBPBESRZSA-N 1 0 382.892 3.239 20 5 GGBDRO CC[NH+](CC)C[C@H]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000173790909 1426852105 /nfs/dbraw/zinc/85/21/05/1426852105.db2.gz SKTRKPFYLDQEGK-UONOGXRCSA-N 1 0 382.892 3.239 20 5 GGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000173802292 1426855547 /nfs/dbraw/zinc/85/55/47/1426855547.db2.gz HZZWXCFFFPQSRV-SFHVURJKSA-N 1 0 391.515 3.345 20 5 GGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C1 ZINC000173804748 1426856058 /nfs/dbraw/zinc/85/60/58/1426856058.db2.gz AOHCGSSFCOPBSZ-ZDUSSCGKSA-N 1 0 381.498 3.129 20 5 GGBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173858679 1426873243 /nfs/dbraw/zinc/87/32/43/1426873243.db2.gz PKHQFQIECKBLRP-MRXNPFEDSA-N 1 0 390.484 3.022 20 5 GGBDRO C[C@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000173995764 1426932684 /nfs/dbraw/zinc/93/26/84/1426932684.db2.gz KBEXPMUADMAJBJ-KRWDZBQOSA-N 1 0 382.464 3.130 20 5 GGBDRO Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000174062531 1426981847 /nfs/dbraw/zinc/98/18/47/1426981847.db2.gz YXNYVTVPAIICFU-SFHVURJKSA-N 1 0 396.491 3.293 20 5 GGBDRO O=C1OCCN1c1cccc2c1CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000174063136 1426981956 /nfs/dbraw/zinc/98/19/56/1426981956.db2.gz AJBPXPJOXJAVQC-UHFFFAOYSA-N 1 0 397.431 3.379 20 5 GGBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)C1 ZINC000174149957 1427022164 /nfs/dbraw/zinc/02/21/64/1427022164.db2.gz OSVIQWLDVSXVIO-GOSISDBHSA-N 1 0 388.512 3.387 20 5 GGBDRO CCc1ccc(C(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000174168909 1427030419 /nfs/dbraw/zinc/03/04/19/1427030419.db2.gz BJAPRWVIPMXBMY-HZPDHXFCSA-N 1 0 389.496 3.119 20 5 GGBDRO CCc1ccc(C(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000174168894 1427030512 /nfs/dbraw/zinc/03/05/12/1427030512.db2.gz BJAPRWVIPMXBMY-IYBDPMFKSA-N 1 0 389.496 3.119 20 5 GGBDRO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174248874 1427069126 /nfs/dbraw/zinc/06/91/26/1427069126.db2.gz QNOCEPXHSKXVEK-INIZCTEOSA-N 1 0 375.469 3.229 20 5 GGBDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(-n2cccn2)cc1 ZINC000174369035 1427123852 /nfs/dbraw/zinc/12/38/52/1427123852.db2.gz IJQPYSCEPVOBOQ-MGPUTAFESA-N 1 0 391.431 3.237 20 5 GGBDRO CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174403601 1427142357 /nfs/dbraw/zinc/14/23/57/1427142357.db2.gz RXWWSGCNTIEYOZ-SFHVURJKSA-N 1 0 397.475 3.415 20 5 GGBDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000174428274 1427152265 /nfs/dbraw/zinc/15/22/65/1427152265.db2.gz APCFCSLJNVUARJ-DGCLKSJQSA-N 1 0 392.374 3.185 20 5 GGBDRO Cc1cc([C@@](C)(O)C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000174440209 1427156912 /nfs/dbraw/zinc/15/69/12/1427156912.db2.gz PEUZWCZKFVKKMG-FQEVSTJZSA-N 1 0 384.436 3.202 20 5 GGBDRO C[N@@H+]1CCN(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000174459928 1427166625 /nfs/dbraw/zinc/16/66/25/1427166625.db2.gz DTDGEWKSUICZBT-UHFFFAOYSA-N 1 0 396.285 3.448 20 5 GGBDRO O=C1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCN1c1ccc(OC(F)F)cc1 ZINC000174569021 1427229129 /nfs/dbraw/zinc/22/91/29/1427229129.db2.gz LNCFOBSRSJDLPO-KRWDZBQOSA-N 1 0 391.374 3.481 20 5 GGBDRO NC(=O)COc1cccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000174604341 1427254679 /nfs/dbraw/zinc/25/46/79/1427254679.db2.gz TUZYOPWHEYUDAZ-UHFFFAOYSA-N 1 0 397.456 3.477 20 5 GGBDRO CC1CCN(c2ccc(C(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2[N+](=O)[O-])CC1 ZINC000174632698 1427277629 /nfs/dbraw/zinc/27/76/29/1427277629.db2.gz MJLNVBXEWXTGOZ-MSOLQXFVSA-N 1 0 386.496 3.140 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1CN(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174655605 1427291653 /nfs/dbraw/zinc/29/16/53/1427291653.db2.gz CJIOGIVXWLCEFI-UHFFFAOYSA-N 1 0 384.480 3.137 20 5 GGBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)CC1 ZINC000174658979 1427293227 /nfs/dbraw/zinc/29/32/27/1427293227.db2.gz NQCKOTURVQQJDQ-FUHWJXTLSA-N 1 0 386.496 3.140 20 5 GGBDRO C[N@H+](CCCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)Cc1ccccc1 ZINC000174673649 1427301928 /nfs/dbraw/zinc/30/19/28/1427301928.db2.gz IEUPLAKZMGNYTL-UHFFFAOYSA-N 1 0 384.436 3.485 20 5 GGBDRO Cc1c(NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000174757232 1427351071 /nfs/dbraw/zinc/35/10/71/1427351071.db2.gz LTBJINQXORKJJK-UHFFFAOYSA-N 1 0 376.457 3.012 20 5 GGBDRO C[C@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)[NH+]1CCCCCC1 ZINC000174802011 1427376751 /nfs/dbraw/zinc/37/67/51/1427376751.db2.gz TXSFHWDWZMTBKV-MRXNPFEDSA-N 1 0 375.469 3.229 20 5 GGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H](O)COc3ccccc3F)CC2)cc1 ZINC000174802928 1427377505 /nfs/dbraw/zinc/37/75/05/1427377505.db2.gz GAIARSCVKSNZDQ-INIZCTEOSA-N 1 0 390.411 3.017 20 5 GGBDRO C[C@@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000174806937 1427379258 /nfs/dbraw/zinc/37/92/58/1427379258.db2.gz FNSQABDSTOLDDA-OAGGEKHMSA-N 1 0 375.469 3.226 20 5 GGBDRO O=[N+]([O-])c1cnn(CCN2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000174814893 1427383579 /nfs/dbraw/zinc/38/35/79/1427383579.db2.gz PTLAGOQTDMDLOS-UHFFFAOYSA-N 1 0 397.401 3.018 20 5 GGBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174828390 1427390365 /nfs/dbraw/zinc/39/03/65/1427390365.db2.gz AZVXPUKIVDSWGJ-UHFFFAOYSA-N 1 0 379.457 3.305 20 5 GGBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000174837914 1427397283 /nfs/dbraw/zinc/39/72/83/1427397283.db2.gz ANVMMXFZMLKYDN-HZPDHXFCSA-N 1 0 380.920 3.239 20 5 GGBDRO CN(C(=O)C[N@H+](CCCO)[C@@H]1CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000174906104 1427439672 /nfs/dbraw/zinc/43/96/72/1427439672.db2.gz RQDGKFQWVRUYNK-OAQYLSRUSA-N 1 0 397.475 3.320 20 5 GGBDRO O=C1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CN1C1CC1 ZINC000174932098 1427452154 /nfs/dbraw/zinc/45/21/54/1427452154.db2.gz OHQUZLJGBPXTMH-NSHDSACASA-N 1 0 375.812 3.361 20 5 GGBDRO CS(=O)(=O)CC1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000174939894 1427456982 /nfs/dbraw/zinc/45/69/82/1427456982.db2.gz XPRUMTXVACVLBO-UHFFFAOYSA-N 1 0 398.868 3.423 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000174949009 1427461512 /nfs/dbraw/zinc/46/15/12/1427461512.db2.gz APESYAJQEIWHKR-KRWDZBQOSA-N 1 0 383.448 3.198 20 5 GGBDRO CCC[N@H+](C)C[C@H]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000174962458 1427468284 /nfs/dbraw/zinc/46/82/84/1427468284.db2.gz BBSOHGQOJLZVDV-UONOGXRCSA-N 1 0 382.892 3.239 20 5 GGBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000174960906 1427468352 /nfs/dbraw/zinc/46/83/52/1427468352.db2.gz PYJOVZKPCRUGLY-LJQANCHMSA-N 1 0 397.475 3.344 20 5 GGBDRO C[N@@H+]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000175064380 1427527006 /nfs/dbraw/zinc/52/70/06/1427527006.db2.gz FQAXUYUBJIGMST-UHFFFAOYSA-N 1 0 380.876 3.137 20 5 GGBDRO C[NH+]1CCN(Cc2ccc(C(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000175149578 1427569430 /nfs/dbraw/zinc/56/94/30/1427569430.db2.gz HPAXTMRJVUQLBE-UHFFFAOYSA-N 1 0 396.491 3.007 20 5 GGBDRO CCOC(=O)c1ccnc(NC2CC[NH+](C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000175169487 1427579175 /nfs/dbraw/zinc/57/91/75/1427579175.db2.gz OBWBLRPLHMYBIT-UHFFFAOYSA-N 1 0 376.457 3.376 20 5 GGBDRO CC(C)CC[NH+]1CCC(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000175170561 1427579611 /nfs/dbraw/zinc/57/96/11/1427579611.db2.gz ZDSOOMMVUFXCFQ-UHFFFAOYSA-N 1 0 399.495 3.268 20 5 GGBDRO CC(C)CC[NH+]1CCC(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000175170586 1427579704 /nfs/dbraw/zinc/57/97/04/1427579704.db2.gz SDZYREWWFQXFQE-UHFFFAOYSA-N 1 0 399.495 3.268 20 5 GGBDRO CC(C)CC[NH+]1CCC(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000175171901 1427580510 /nfs/dbraw/zinc/58/05/10/1427580510.db2.gz TWMGGBUWWMCEJZ-UHFFFAOYSA-N 1 0 399.495 3.268 20 5 GGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000175202648 1427597319 /nfs/dbraw/zinc/59/73/19/1427597319.db2.gz UJBBMHBOUHPJPK-SFHVURJKSA-N 1 0 376.501 3.433 20 5 GGBDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000175299534 1427658005 /nfs/dbraw/zinc/65/80/05/1427658005.db2.gz HVCYEWJBRKIPLS-UHFFFAOYSA-N 1 0 398.463 3.306 20 5 GGBDRO C[C@H]1C[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000175456758 1427765225 /nfs/dbraw/zinc/76/52/25/1427765225.db2.gz WELHPSFXMHGVGF-LPHOPBHVSA-N 1 0 382.464 3.447 20 5 GGBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000175660919 1427848120 /nfs/dbraw/zinc/84/81/20/1427848120.db2.gz MMGMYMYTMPNVMV-UHFFFAOYSA-N 1 0 399.476 3.046 20 5 GGBDRO Cc1cc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(N)c([N+](=O)[O-])c1 ZINC000175785639 1427891951 /nfs/dbraw/zinc/89/19/51/1427891951.db2.gz NFSNIWASJJXXIJ-KRWDZBQOSA-N 1 0 382.464 3.080 20 5 GGBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000175801326 1427898066 /nfs/dbraw/zinc/89/80/66/1427898066.db2.gz FTVBCXCNXWIZRG-FQEVSTJZSA-N 1 0 396.491 3.301 20 5 GGBDRO C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)(C)C[NH+](C)C ZINC000175818988 1427909347 /nfs/dbraw/zinc/90/93/47/1427909347.db2.gz AUSMAORIDOAWKA-LBPRGKRZSA-N 1 0 376.482 3.424 20 5 GGBDRO O=C(c1cc2ccccc2c2cccnc12)N1CC[NH+](C2CCOCC2)CC1 ZINC000175862178 1427938800 /nfs/dbraw/zinc/93/88/00/1427938800.db2.gz PHXUWCFEIFLMKF-UHFFFAOYSA-N 1 0 375.472 3.325 20 5 GGBDRO Cc1ccc([C@H](C)NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000175912399 1427967705 /nfs/dbraw/zinc/96/77/05/1427967705.db2.gz JZFCUFLZMSFGJY-INIZCTEOSA-N 1 0 397.479 3.323 20 5 GGBDRO O=C(CN1CC[C@H](OCCCc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000175953920 1427994606 /nfs/dbraw/zinc/99/46/06/1427994606.db2.gz JHAALUTVESCCJX-SFHVURJKSA-N 1 0 383.448 3.257 20 5 GGBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000175974868 1428007853 /nfs/dbraw/zinc/00/78/53/1428007853.db2.gz HFHHKXNTAIBXPF-IBGZPJMESA-N 1 0 382.464 3.258 20 5 GGBDRO CCc1ccc(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000176041513 1428043708 /nfs/dbraw/zinc/04/37/08/1428043708.db2.gz QQUXEOIBGYRLMZ-UHFFFAOYSA-N 1 0 397.475 3.044 20 5 GGBDRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000176060740 1428059419 /nfs/dbraw/zinc/05/94/19/1428059419.db2.gz PEKKWHPAELXIQE-OKILXGFUSA-N 1 0 395.887 3.210 20 5 GGBDRO COc1ccccc1[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)[NH+]1CCCCC1 ZINC000176071963 1428067634 /nfs/dbraw/zinc/06/76/34/1428067634.db2.gz WXGJSKUGCHZOMJ-SFHVURJKSA-N 1 0 398.463 3.143 20 5 GGBDRO C[C@@H]1C[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000176108374 1428087334 /nfs/dbraw/zinc/08/73/34/1428087334.db2.gz VAWCBNRQKWZTMR-IEBWSBKVSA-N 1 0 396.491 3.200 20 5 GGBDRO C[C@@H]1C[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000176136461 1428109960 /nfs/dbraw/zinc/10/99/60/1428109960.db2.gz MFIBIESFJBOQHQ-AEFFLSMTSA-N 1 0 383.448 3.143 20 5 GGBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])NC1CC[NH+](C2CCCCC2)CC1 ZINC000176168926 1428134935 /nfs/dbraw/zinc/13/49/35/1428134935.db2.gz LLIZVNMDTVFZRT-UHFFFAOYSA-N 1 0 389.500 3.103 20 5 GGBDRO CC(C)[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H](O)COc1cccc2ccccc21 ZINC000176226652 1428178354 /nfs/dbraw/zinc/17/83/54/1428178354.db2.gz LQLWZEFDMZKPKM-SFHVURJKSA-N 1 0 398.463 3.095 20 5 GGBDRO CCOc1cc(N2CCC(CCC[NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000180173192 1429779753 /nfs/dbraw/zinc/77/97/53/1429779753.db2.gz IMIGXCCPXBFUIC-UHFFFAOYSA-N 1 0 377.485 3.322 20 5 GGBDRO C[C@@]1(O)CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000180199788 1429799779 /nfs/dbraw/zinc/79/97/79/1429799779.db2.gz SEYCFZAFLLZUEO-OAQYLSRUSA-N 1 0 378.432 3.404 20 5 GGBDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000180224459 1429807156 /nfs/dbraw/zinc/80/71/56/1429807156.db2.gz RKRRRFOXTCSREX-UHFFFAOYSA-N 1 0 391.431 3.184 20 5 GGBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](COc1ccccc1F)c1ccccc1 ZINC000180307651 1429831847 /nfs/dbraw/zinc/83/18/47/1429831847.db2.gz UPMNYNKTJCYISF-LJQANCHMSA-N 1 0 397.406 3.306 20 5 GGBDRO Cn1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(-c2cccs2)n1 ZINC000180344959 1429841159 /nfs/dbraw/zinc/84/11/59/1429841159.db2.gz OGSKNNPCURNAEF-CQSZACIVSA-N 1 0 384.465 3.138 20 5 GGBDRO CC(C)Oc1ccc(CCNC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180396158 1429856216 /nfs/dbraw/zinc/85/62/16/1429856216.db2.gz OMAWGXVHQQQPST-MRXNPFEDSA-N 1 0 385.464 3.392 20 5 GGBDRO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000180396984 1429856651 /nfs/dbraw/zinc/85/66/51/1429856651.db2.gz SSAVCBUHLQRKPB-JTQLQIEISA-N 1 0 378.772 3.446 20 5 GGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccsc1 ZINC000180408575 1429860170 /nfs/dbraw/zinc/86/01/70/1429860170.db2.gz PRDWWAOXSOYFGU-HNNXBMFYSA-N 1 0 391.449 3.198 20 5 GGBDRO COc1ccc(Cl)cc1CNC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180417272 1429862985 /nfs/dbraw/zinc/86/29/85/1429862985.db2.gz VJUIFJUVEVGCRD-LBPRGKRZSA-N 1 0 377.828 3.224 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)CN(C)Cc1ccccc1 ZINC000180419263 1429863809 /nfs/dbraw/zinc/86/38/09/1429863809.db2.gz OPFMCDKYICWADM-UHFFFAOYSA-N 1 0 384.480 3.342 20 5 GGBDRO C[C@H]([NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180420316 1429864100 /nfs/dbraw/zinc/86/41/00/1429864100.db2.gz GTHDYLAMUKTBIH-HNNXBMFYSA-N 1 0 396.447 3.401 20 5 GGBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000180423300 1429864905 /nfs/dbraw/zinc/86/49/05/1429864905.db2.gz KTUMMPLQBZWRBG-UHFFFAOYSA-N 1 0 382.464 3.297 20 5 GGBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000180432079 1429868138 /nfs/dbraw/zinc/86/81/38/1429868138.db2.gz SVSHLAKESNPJMN-NEPJUHHUSA-N 1 0 388.380 3.189 20 5 GGBDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(OC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180448416 1429871830 /nfs/dbraw/zinc/87/18/30/1429871830.db2.gz QBKYKVVYXLRQRV-GFCCVEGCSA-N 1 0 397.353 3.460 20 5 GGBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000180454549 1429873428 /nfs/dbraw/zinc/87/34/28/1429873428.db2.gz SPEVDVCTLIVUDO-UHFFFAOYSA-N 1 0 382.464 3.297 20 5 GGBDRO CC1CC[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000180511774 1429886447 /nfs/dbraw/zinc/88/64/47/1429886447.db2.gz QHRFFDUDSWVFKX-UHFFFAOYSA-N 1 0 385.411 3.438 20 5 GGBDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000180555166 1429896861 /nfs/dbraw/zinc/89/68/61/1429896861.db2.gz HCZQFWITLLKRDO-UHFFFAOYSA-N 1 0 395.463 3.211 20 5 GGBDRO CCOc1ccnc(N2CCC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000180605600 1429928701 /nfs/dbraw/zinc/92/87/01/1429928701.db2.gz BHOHIBHWNCOYNE-VMPITWQZSA-N 1 0 383.452 3.009 20 5 GGBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccc2c(c1)OCCO2 ZINC000180633576 1429944708 /nfs/dbraw/zinc/94/47/08/1429944708.db2.gz XHHVANWHCGORJJ-INIZCTEOSA-N 1 0 385.420 3.354 20 5 GGBDRO CC[C@@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc2c(c1)OCCO2 ZINC000180633548 1429945170 /nfs/dbraw/zinc/94/51/70/1429945170.db2.gz JRFXEGSKEFRJGM-MRXNPFEDSA-N 1 0 385.420 3.354 20 5 GGBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000180636807 1429947912 /nfs/dbraw/zinc/94/79/12/1429947912.db2.gz NQNPQMSYJBEFKU-DYVFJYSZSA-N 1 0 385.420 3.434 20 5 GGBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000180644043 1429950961 /nfs/dbraw/zinc/95/09/61/1429950961.db2.gz UEQBKAZNEXTHOX-DZGCQCFKSA-N 1 0 385.420 3.434 20 5 GGBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000180648679 1429954775 /nfs/dbraw/zinc/95/47/75/1429954775.db2.gz DOPYHLCGUZRMSP-HNNXBMFYSA-N 1 0 385.420 3.436 20 5 GGBDRO O=C(NCCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1cccc(F)c1 ZINC000180727422 1430002868 /nfs/dbraw/zinc/00/28/68/1430002868.db2.gz XVQIYLJJFLWGKC-IBGZPJMESA-N 1 0 385.439 3.465 20 5 GGBDRO C[NH+](C)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000180758539 1430022647 /nfs/dbraw/zinc/02/26/47/1430022647.db2.gz WNJGZFYFLLWGNQ-UHFFFAOYSA-N 1 0 395.362 3.389 20 5 GGBDRO Cn1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000180780344 1430035026 /nfs/dbraw/zinc/03/50/26/1430035026.db2.gz AUXAHWMFURVTPJ-UTKZUKDTSA-N 1 0 395.507 3.444 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000180828165 1430060298 /nfs/dbraw/zinc/06/02/98/1430060298.db2.gz ZPOCZDCMFNDOIR-CQSZACIVSA-N 1 0 395.419 3.078 20 5 GGBDRO COc1cc(C[N@@H+]2CC[C@H]([C@H](C)O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000180850599 1430069338 /nfs/dbraw/zinc/06/93/38/1430069338.db2.gz FWJSPOOFNWWFMJ-RDJZCZTQSA-N 1 0 386.448 3.385 20 5 GGBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)c([N+](=O)[O-])c1 ZINC000180854353 1430071549 /nfs/dbraw/zinc/07/15/49/1430071549.db2.gz QFFHDXJNBWIECV-AWEZNQCLSA-N 1 0 395.419 3.078 20 5 GGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCc1nc2c(cccc2F)n1C ZINC000180863668 1430075108 /nfs/dbraw/zinc/07/51/08/1430075108.db2.gz QIMDRHQMFRVHIF-ZDUSSCGKSA-N 1 0 399.426 3.170 20 5 GGBDRO CC(C)([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(F)c(F)c1 ZINC000180868934 1430077917 /nfs/dbraw/zinc/07/79/17/1430077917.db2.gz DDLIJCXMHQOSNU-UHFFFAOYSA-N 1 0 375.375 3.287 20 5 GGBDRO COc1ccc([C@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])[NH+]2CCCCC2)cc1 ZINC000180885230 1430088585 /nfs/dbraw/zinc/08/85/85/1430088585.db2.gz FCNGNBQUVZUPGS-IBGZPJMESA-N 1 0 398.463 3.143 20 5 GGBDRO COc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3C)C2=O)cc1 ZINC000180914675 1430109593 /nfs/dbraw/zinc/10/95/93/1430109593.db2.gz KIEABOFDRPZNEM-DNVCBOLYSA-N 1 0 383.448 3.364 20 5 GGBDRO COc1ccc(CN2CC[C@H]([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3C)C2=O)cc1 ZINC000180914711 1430111355 /nfs/dbraw/zinc/11/13/55/1430111355.db2.gz KIEABOFDRPZNEM-BEFAXECRSA-N 1 0 383.448 3.364 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2c(N)cccc2[N+](=O)[O-])cc1 ZINC000180930398 1430120671 /nfs/dbraw/zinc/12/06/71/1430120671.db2.gz PRWCHDKSLXZJLE-HNNXBMFYSA-N 1 0 382.464 3.481 20 5 GGBDRO COc1ccccc1[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000180954387 1430133530 /nfs/dbraw/zinc/13/35/30/1430133530.db2.gz RMPNJOADGLZBQN-GOSISDBHSA-N 1 0 398.463 3.143 20 5 GGBDRO Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000180995752 1430158122 /nfs/dbraw/zinc/15/81/22/1430158122.db2.gz NRRXVWJOSJAAKU-UHFFFAOYSA-N 1 0 386.477 3.021 20 5 GGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCN1C(=O)COc2ccccc21 ZINC000181150116 1430227842 /nfs/dbraw/zinc/22/78/42/1430227842.db2.gz ULPPBCIWDRARQX-MRXNPFEDSA-N 1 0 383.448 3.321 20 5 GGBDRO CCOc1ccc([C@H](C)[NH2+]CCCN2C(=O)COc3ccccc32)cc1[N+](=O)[O-] ZINC000181151425 1430228427 /nfs/dbraw/zinc/22/84/27/1430228427.db2.gz SGBIWZMSAUEBTH-HNNXBMFYSA-N 1 0 399.447 3.460 20 5 GGBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000181215292 1430249524 /nfs/dbraw/zinc/24/95/24/1430249524.db2.gz RNJQSIKICKURPN-HKUYNNGSSA-N 1 0 394.475 3.304 20 5 GGBDRO CN(C(=O)C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000181216482 1430250086 /nfs/dbraw/zinc/25/00/86/1430250086.db2.gz GCSNVPHXBPSDSV-UZLBHIALSA-N 1 0 383.448 3.315 20 5 GGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3OC)C2=O)cc1[N+](=O)[O-] ZINC000181287360 1430263293 /nfs/dbraw/zinc/26/32/93/1430263293.db2.gz NDFQAQHMACQHIM-GOEBONIOSA-N 1 0 399.447 3.458 20 5 GGBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCC3(C)CC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000181290900 1430264312 /nfs/dbraw/zinc/26/43/12/1430264312.db2.gz RORLQYHKVFTBGZ-HZPDHXFCSA-N 1 0 388.512 3.197 20 5 GGBDRO C[C@H]1C[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@@H+]1Cc1ccccc1 ZINC000181305468 1430268592 /nfs/dbraw/zinc/26/85/92/1430268592.db2.gz QUDNLIZJDFYMBA-YOEHRIQHSA-N 1 0 397.431 3.106 20 5 GGBDRO COC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(F)c(F)c1 ZINC000181423889 1430295046 /nfs/dbraw/zinc/29/50/46/1430295046.db2.gz CEOXBDIEXZQXQB-GOSISDBHSA-N 1 0 393.390 3.487 20 5 GGBDRO COC[C@@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000181422942 1430295131 /nfs/dbraw/zinc/29/51/31/1430295131.db2.gz XRQKFBVMSAUEME-MRXNPFEDSA-N 1 0 382.363 3.238 20 5 GGBDRO COC[C@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000181422924 1430295189 /nfs/dbraw/zinc/29/51/89/1430295189.db2.gz XRQKFBVMSAUEME-INIZCTEOSA-N 1 0 382.363 3.238 20 5 GGBDRO COC[C@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(F)c(F)c1 ZINC000181437729 1430298973 /nfs/dbraw/zinc/29/89/73/1430298973.db2.gz UHYVGPZGGYZPFW-KRWDZBQOSA-N 1 0 393.390 3.487 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000181441207 1430299857 /nfs/dbraw/zinc/29/98/57/1430299857.db2.gz MJPSPDKSXHWXGD-LSDHHAIUSA-N 1 0 396.447 3.399 20 5 GGBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(N2CCCC2=O)c1 ZINC000181449449 1430302023 /nfs/dbraw/zinc/30/20/23/1430302023.db2.gz XOSPODIKPJCUEC-OAHLLOKOSA-N 1 0 396.447 3.401 20 5 GGBDRO C[N@@H+](Cc1ccccc1N1CCCC1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181499384 1430311174 /nfs/dbraw/zinc/31/11/74/1430311174.db2.gz UDUAYRIXNBEXSQ-GOSISDBHSA-N 1 0 385.464 3.067 20 5 GGBDRO Cc1cc(S(=O)(=O)NCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c(C)s1 ZINC000181505322 1430311984 /nfs/dbraw/zinc/31/19/84/1430311984.db2.gz XFMJFQGKOYAJRI-CYBMUJFWSA-N 1 0 397.522 3.211 20 5 GGBDRO O=C1[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCCN1CC(F)(F)F ZINC000181525913 1430315306 /nfs/dbraw/zinc/31/53/06/1430315306.db2.gz WVJKNKJWJINZQD-NUEKZKHPSA-N 1 0 399.413 3.449 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(COc2ccccc2)CC1 ZINC000181572853 1430321915 /nfs/dbraw/zinc/32/19/15/1430321915.db2.gz SVTQSNZIDQXTDP-SFHVURJKSA-N 1 0 386.448 3.126 20 5 GGBDRO C[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181634004 1430331677 /nfs/dbraw/zinc/33/16/77/1430331677.db2.gz BLOGQIMDTJNTIK-CVEARBPZSA-N 1 0 397.479 3.163 20 5 GGBDRO C[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181637295 1430332778 /nfs/dbraw/zinc/33/27/78/1430332778.db2.gz XFUSCPLMQBOQLV-HOTGVXAUSA-N 1 0 375.469 3.133 20 5 GGBDRO C[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181647432 1430334677 /nfs/dbraw/zinc/33/46/77/1430334677.db2.gz RVKSAHNHUWFJPH-RDJZCZTQSA-N 1 0 397.479 3.163 20 5 GGBDRO C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181653726 1430335745 /nfs/dbraw/zinc/33/57/45/1430335745.db2.gz WHDMYCGIFAXGNK-LSDHHAIUSA-N 1 0 377.510 3.456 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCCCN(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000181811612 1430365502 /nfs/dbraw/zinc/36/55/02/1430365502.db2.gz UCXFTLXNVGSDGF-KRWDZBQOSA-N 1 0 384.480 3.197 20 5 GGBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Oc2ccccc2)cc1 ZINC000181818255 1430366443 /nfs/dbraw/zinc/36/64/43/1430366443.db2.gz KJJXLIRRYYDRII-CRAIPNDOSA-N 1 0 382.420 3.295 20 5 GGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000181822752 1430367631 /nfs/dbraw/zinc/36/76/31/1430367631.db2.gz ZJVQRHWIJAVDGA-CYBMUJFWSA-N 1 0 393.390 3.472 20 5 GGBDRO CCOCc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181828477 1430368699 /nfs/dbraw/zinc/36/86/99/1430368699.db2.gz OQTBDGXZDHPVHI-MRXNPFEDSA-N 1 0 385.464 3.407 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N(C)CCOc2ccccc2F)cc1[N+](=O)[O-] ZINC000181832979 1430369377 /nfs/dbraw/zinc/36/93/77/1430369377.db2.gz YVWCMTXXUVATKT-HNNXBMFYSA-N 1 0 389.427 3.230 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2N2CCCC2=O)cc1[N+](=O)[O-] ZINC000181834674 1430369593 /nfs/dbraw/zinc/36/95/93/1430369593.db2.gz NCOGAWNHKVVLKE-HNNXBMFYSA-N 1 0 396.447 3.319 20 5 GGBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(N2CCCC2)c1 ZINC000181873430 1430375500 /nfs/dbraw/zinc/37/55/00/1430375500.db2.gz DWJYPLYXEGDRPG-JXFKEZNVSA-N 1 0 385.464 3.286 20 5 GGBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(N2CCCC2)c1 ZINC000181873449 1430375576 /nfs/dbraw/zinc/37/55/76/1430375576.db2.gz DWJYPLYXEGDRPG-UZLBHIALSA-N 1 0 385.464 3.286 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000181977896 1430391303 /nfs/dbraw/zinc/39/13/03/1430391303.db2.gz SOWOMZBQVZVQQJ-QGZVFWFLSA-N 1 0 378.469 3.006 20 5 GGBDRO COC(=O)[C@@H](C)CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000182070616 1430405617 /nfs/dbraw/zinc/40/56/17/1430405617.db2.gz OYJUJYXXIOXLHG-LBPRGKRZSA-N 1 0 375.450 3.492 20 5 GGBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000182088872 1430409610 /nfs/dbraw/zinc/40/96/10/1430409610.db2.gz GSUXJTKSYJVARE-OAHLLOKOSA-N 1 0 378.432 3.393 20 5 GGBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182103584 1430412545 /nfs/dbraw/zinc/41/25/45/1430412545.db2.gz ZURFNSNNELZXCZ-HZPDHXFCSA-N 1 0 380.920 3.239 20 5 GGBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182103566 1430412698 /nfs/dbraw/zinc/41/26/98/1430412698.db2.gz ZURFNSNNELZXCZ-HOTGVXAUSA-N 1 0 380.920 3.239 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000182174586 1430424344 /nfs/dbraw/zinc/42/43/44/1430424344.db2.gz AVGYUNIFDUEYFV-MRXNPFEDSA-N 1 0 396.447 3.090 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000182174605 1430424357 /nfs/dbraw/zinc/42/43/57/1430424357.db2.gz AVGYUNIFDUEYFV-INIZCTEOSA-N 1 0 396.447 3.090 20 5 GGBDRO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000182200221 1430428892 /nfs/dbraw/zinc/42/88/92/1430428892.db2.gz OCXSCKIKZAEXHO-ZDUSSCGKSA-N 1 0 383.395 3.144 20 5 GGBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000182211387 1430430447 /nfs/dbraw/zinc/43/04/47/1430430447.db2.gz XCEROSKCMXCBPZ-GXTWGEPZSA-N 1 0 382.363 3.287 20 5 GGBDRO O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])s1 ZINC000182280893 1430442030 /nfs/dbraw/zinc/44/20/30/1430442030.db2.gz LCRAJJVLLOUKDA-UHFFFAOYSA-N 1 0 389.477 3.103 20 5 GGBDRO O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1csc([N+](=O)[O-])c1 ZINC000182282531 1430442229 /nfs/dbraw/zinc/44/22/29/1430442229.db2.gz LZYWINUGSDMUKW-UHFFFAOYSA-N 1 0 389.477 3.103 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182372496 1430454536 /nfs/dbraw/zinc/45/45/36/1430454536.db2.gz HJLXVUXZHVODIP-UHFFFAOYSA-N 1 0 398.463 3.386 20 5 GGBDRO COc1cc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)ccc1[N+](=O)[O-] ZINC000182371577 1430454663 /nfs/dbraw/zinc/45/46/63/1430454663.db2.gz AGWDPQZTVHNIQO-UHFFFAOYSA-N 1 0 398.463 3.386 20 5 GGBDRO C[NH+](C)C1CCN(c2ccc(NC(=O)COc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000182374717 1430455206 /nfs/dbraw/zinc/45/52/06/1430455206.db2.gz DMDUXHUIAKDDEE-UHFFFAOYSA-N 1 0 398.463 3.143 20 5 GGBDRO C[NH+](C)C1CCN(c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000182375165 1430455237 /nfs/dbraw/zinc/45/52/37/1430455237.db2.gz BBZDLEOCDZZWGH-UHFFFAOYSA-N 1 0 398.463 3.143 20 5 GGBDRO CCOc1cccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000182405809 1430461702 /nfs/dbraw/zinc/46/17/02/1430461702.db2.gz LSQHQBCSSHJLAC-CQSZACIVSA-N 1 0 378.450 3.118 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000182435451 1430467362 /nfs/dbraw/zinc/46/73/62/1430467362.db2.gz OBOVPRZDCCMZHJ-AWEZNQCLSA-N 1 0 378.375 3.282 20 5 GGBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 ZINC000182452688 1430470047 /nfs/dbraw/zinc/47/00/47/1430470047.db2.gz NMVNEJFYVXGSBW-QFBILLFUSA-N 1 0 385.464 3.286 20 5 GGBDRO CCC[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC[N@@H+]1Cc1ccccc1 ZINC000182493499 1430477256 /nfs/dbraw/zinc/47/72/56/1430477256.db2.gz SPQQSUBJQQUFDT-LJQANCHMSA-N 1 0 399.495 3.003 20 5 GGBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182495701 1430477629 /nfs/dbraw/zinc/47/76/29/1430477629.db2.gz GRCWVYQVPYUHEA-UHFFFAOYSA-N 1 0 393.390 3.400 20 5 GGBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1c(C)noc1C ZINC000182514475 1430481430 /nfs/dbraw/zinc/48/14/30/1430481430.db2.gz RISJPQRXMRJQIF-CQSZACIVSA-N 1 0 376.413 3.278 20 5 GGBDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000182529584 1430484338 /nfs/dbraw/zinc/48/43/38/1430484338.db2.gz OQECFXUEXAWPCJ-LLVKDONJSA-N 1 0 390.827 3.496 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182548844 1430488998 /nfs/dbraw/zinc/48/89/98/1430488998.db2.gz VPTNIECTCSTTMJ-CABCVRRESA-N 1 0 390.484 3.056 20 5 GGBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](c2ccc(Cl)cc2)C2CCCC2)c1 ZINC000182562667 1430492899 /nfs/dbraw/zinc/49/28/99/1430492899.db2.gz AGLBHMKUPGUNQP-MSOLQXFVSA-N 1 0 378.860 3.327 20 5 GGBDRO CCN(CC)C(=O)CCC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000182578200 1430496381 /nfs/dbraw/zinc/49/63/81/1430496381.db2.gz AQYAJBCODUCTRV-UHFFFAOYSA-N 1 0 377.485 3.464 20 5 GGBDRO C[C@@H](C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000182620035 1430503802 /nfs/dbraw/zinc/50/38/02/1430503802.db2.gz QIZWOTCXEOOAMI-LSDHHAIUSA-N 1 0 385.439 3.400 20 5 GGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](CCCn2ccnc2)CC1 ZINC000182624724 1430504612 /nfs/dbraw/zinc/50/46/12/1430504612.db2.gz MLXGFGGYOLNKAL-UHFFFAOYSA-N 1 0 383.374 3.022 20 5 GGBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000182643641 1430508436 /nfs/dbraw/zinc/50/84/36/1430508436.db2.gz RNOHTTGMHVHQMM-UHFFFAOYSA-N 1 0 389.452 3.052 20 5 GGBDRO Cc1cc([C@H](C)[NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c(C)s1 ZINC000182738740 1430530768 /nfs/dbraw/zinc/53/07/68/1430530768.db2.gz WMZUPTYASNTKGQ-JTQLQIEISA-N 1 0 377.422 3.291 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182867424 1430557566 /nfs/dbraw/zinc/55/75/66/1430557566.db2.gz WTBNVXYQYYXQHA-KBPBESRZSA-N 1 0 376.457 3.378 20 5 GGBDRO C[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000182924912 1430572931 /nfs/dbraw/zinc/57/29/31/1430572931.db2.gz IASOMXULQJGEOR-ZDUSSCGKSA-N 1 0 375.400 3.417 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1C ZINC000183020246 1430594547 /nfs/dbraw/zinc/59/45/47/1430594547.db2.gz ZOYMDALDKVWQDJ-CVEARBPZSA-N 1 0 395.525 3.143 20 5 GGBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1C ZINC000183032305 1430597158 /nfs/dbraw/zinc/59/71/58/1430597158.db2.gz FKETYPYFJGMIMR-CVEARBPZSA-N 1 0 395.525 3.143 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](c1nc(C)cs1)C1CC1 ZINC000183561869 1430742660 /nfs/dbraw/zinc/74/26/60/1430742660.db2.gz OXZWTJORVANCRO-KRWDZBQOSA-N 1 0 390.465 3.438 20 5 GGBDRO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccc(-n2cccn2)c1 ZINC000183572322 1430744300 /nfs/dbraw/zinc/74/43/00/1430744300.db2.gz JYRXYFBEFYNKMH-OAHLLOKOSA-N 1 0 391.431 3.020 20 5 GGBDRO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(-n2cccn2)c1 ZINC000183578591 1430745776 /nfs/dbraw/zinc/74/57/76/1430745776.db2.gz QNFJPEDUDFKMCR-HNNXBMFYSA-N 1 0 379.420 3.460 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1cccc(-n2cccn2)c1 ZINC000183583554 1430746892 /nfs/dbraw/zinc/74/68/92/1430746892.db2.gz SVAFGJKFTPVHLF-OAHLLOKOSA-N 1 0 379.420 3.378 20 5 GGBDRO COc1ccccc1[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000183589773 1430748516 /nfs/dbraw/zinc/74/85/16/1430748516.db2.gz WXCSSNFPTMGKPU-KRWDZBQOSA-N 1 0 399.451 3.347 20 5 GGBDRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)Nc1ccncc1[N+](=O)[O-] ZINC000183591031 1430748953 /nfs/dbraw/zinc/74/89/53/1430748953.db2.gz GQNJTKVFOSXCGN-ZDUSSCGKSA-N 1 0 375.454 3.085 20 5 GGBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000183608354 1430753581 /nfs/dbraw/zinc/75/35/81/1430753581.db2.gz NCOXIEWDRKQRJY-OAHLLOKOSA-N 1 0 379.420 3.460 20 5 GGBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(-n3cccn3)c2)c([N+](=O)[O-])c1 ZINC000183607928 1430753663 /nfs/dbraw/zinc/75/36/63/1430753663.db2.gz HNDWCSWVCSAGTI-AWEZNQCLSA-N 1 0 395.419 3.078 20 5 GGBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(-n3cccn3)c2)c([N+](=O)[O-])c1 ZINC000183607943 1430753899 /nfs/dbraw/zinc/75/38/99/1430753899.db2.gz HNDWCSWVCSAGTI-CQSZACIVSA-N 1 0 395.419 3.078 20 5 GGBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183622128 1430756766 /nfs/dbraw/zinc/75/67/66/1430756766.db2.gz IDFIVBKVBXDGOS-KRWDZBQOSA-N 1 0 383.452 3.366 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000183765038 1430788964 /nfs/dbraw/zinc/78/89/64/1430788964.db2.gz PSUGAKVOMYCMLB-IBGZPJMESA-N 1 0 397.475 3.017 20 5 GGBDRO COc1ccc(CNc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000183777151 1430791150 /nfs/dbraw/zinc/79/11/50/1430791150.db2.gz OPSCAJBFMKGUJS-UHFFFAOYSA-N 1 0 386.452 3.414 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)c1cccc(C(F)(F)F)c1 ZINC000183898021 1430810353 /nfs/dbraw/zinc/81/03/53/1430810353.db2.gz HOSBIBWTBOFPTD-OAHLLOKOSA-N 1 0 396.369 3.229 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000183900440 1430810546 /nfs/dbraw/zinc/81/05/46/1430810546.db2.gz RJYMRNUQEVWUIG-OAHLLOKOSA-N 1 0 396.369 3.229 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C(C)(C)c1ncc(C)s1 ZINC000183920816 1430813344 /nfs/dbraw/zinc/81/33/44/1430813344.db2.gz ZVYCVBUWDAVVSQ-UHFFFAOYSA-N 1 0 378.454 3.222 20 5 GGBDRO Cc1ccccc1C([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1C ZINC000183946778 1430816732 /nfs/dbraw/zinc/81/67/32/1430816732.db2.gz SZOZETYICGWGGD-GOSISDBHSA-N 1 0 380.448 3.148 20 5 GGBDRO C[C@H](C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000184066858 1430836917 /nfs/dbraw/zinc/83/69/17/1430836917.db2.gz ZUAUONFKPWUGDK-SIFCLUCFSA-N 1 0 385.439 3.474 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1cccc(F)c1 ZINC000184113338 1430842736 /nfs/dbraw/zinc/84/27/36/1430842736.db2.gz CMTQIWYZIKXQJB-KRWDZBQOSA-N 1 0 394.834 3.489 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1cccc(F)c1 ZINC000184113354 1430842853 /nfs/dbraw/zinc/84/28/53/1430842853.db2.gz CMTQIWYZIKXQJB-QGZVFWFLSA-N 1 0 394.834 3.489 20 5 GGBDRO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184139234 1430846662 /nfs/dbraw/zinc/84/66/62/1430846662.db2.gz FOSXZUVTYZYUKF-UHFFFAOYSA-N 1 0 391.493 3.056 20 5 GGBDRO CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184182173 1430852123 /nfs/dbraw/zinc/85/21/23/1430852123.db2.gz AZLLHPPRAPJZKJ-QGZVFWFLSA-N 1 0 393.447 3.208 20 5 GGBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+][C@@]2(CO)CCOC2)cc1 ZINC000184192002 1430853876 /nfs/dbraw/zinc/85/38/76/1430853876.db2.gz DWLHVFPNFOZUAK-GOSISDBHSA-N 1 0 378.812 3.282 20 5 GGBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000184243493 1430861314 /nfs/dbraw/zinc/86/13/14/1430861314.db2.gz IRJHPTFAOVDIDX-UHFFFAOYSA-N 1 0 395.525 3.013 20 5 GGBDRO COc1cc(C[NH2+][C@@H](C)C[S@](C)=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000184264760 1430864660 /nfs/dbraw/zinc/86/46/60/1430864660.db2.gz DTUZXPREBANSIR-PWFNWSNSSA-N 1 0 392.477 3.039 20 5 GGBDRO CC[NH+]1CCN(c2cccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)c2)CC1 ZINC000184279516 1430866989 /nfs/dbraw/zinc/86/69/89/1430866989.db2.gz VURPZWLJNGOTEP-UHFFFAOYSA-N 1 0 382.464 3.308 20 5 GGBDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184341001 1430875263 /nfs/dbraw/zinc/87/52/63/1430875263.db2.gz XIXNZSKKHWWESL-UHFFFAOYSA-N 1 0 386.477 3.287 20 5 GGBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000184356613 1430877492 /nfs/dbraw/zinc/87/74/92/1430877492.db2.gz FKLVKHNBCBONQN-MRXNPFEDSA-N 1 0 392.843 3.478 20 5 GGBDRO O=C(NCC[N@@H+]1CCc2ccccc2C1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184370487 1430879681 /nfs/dbraw/zinc/87/96/81/1430879681.db2.gz BAQPEMXNTGVGRW-UHFFFAOYSA-N 1 0 388.855 3.106 20 5 GGBDRO C[NH+](C)Cc1cccc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000184385877 1430881590 /nfs/dbraw/zinc/88/15/90/1430881590.db2.gz WRJFJYMOAKNANV-UHFFFAOYSA-N 1 0 376.844 3.309 20 5 GGBDRO CC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1nc(C)cs1 ZINC000184437724 1430887776 /nfs/dbraw/zinc/88/77/76/1430887776.db2.gz MVRANPBVOJZRGS-ZDUSSCGKSA-N 1 0 378.454 3.438 20 5 GGBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184467354 1430890981 /nfs/dbraw/zinc/89/09/81/1430890981.db2.gz ZYHYDQMTKGZLIR-QGZVFWFLSA-N 1 0 382.464 3.161 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000184480793 1430892707 /nfs/dbraw/zinc/89/27/07/1430892707.db2.gz PUVIJFKAJUFOEW-UHFFFAOYSA-N 1 0 383.452 3.393 20 5 GGBDRO CSCC[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000184596917 1430913786 /nfs/dbraw/zinc/91/37/86/1430913786.db2.gz VQCAUOWWWZYEGY-MRXNPFEDSA-N 1 0 387.465 3.100 20 5 GGBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC1CC[NH+](C2CCCC2)CC1 ZINC000184710077 1430948759 /nfs/dbraw/zinc/94/87/59/1430948759.db2.gz HXJKUYJERUEIIA-UHFFFAOYSA-N 1 0 380.876 3.454 20 5 GGBDRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccs1)c1ccc([N+](=O)[O-])cc1F ZINC000184740622 1430960386 /nfs/dbraw/zinc/96/03/86/1430960386.db2.gz BUOVITFEFMHRRA-ZDUSSCGKSA-N 1 0 379.457 3.489 20 5 GGBDRO CCc1ccc([C@@H](COC)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000184796747 1430980648 /nfs/dbraw/zinc/98/06/48/1430980648.db2.gz CNTNTEQZVHBBDN-MRXNPFEDSA-N 1 0 375.425 3.365 20 5 GGBDRO C[C@H](CCN1CC[NH+](C)CC1)Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000184828553 1430994421 /nfs/dbraw/zinc/99/44/21/1430994421.db2.gz LIPBHDYEAOMTPC-QGZVFWFLSA-N 1 0 396.491 3.264 20 5 GGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000184842985 1431000398 /nfs/dbraw/zinc/00/03/98/1431000398.db2.gz LDKOEFYSHKQZST-SCTDSRPQSA-N 1 0 391.512 3.169 20 5 GGBDRO C[C@H](C(=O)NCc1ccc(OCC[NH+](C)C)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000185027088 1431044492 /nfs/dbraw/zinc/04/44/92/1431044492.db2.gz RUPPNMHJSIWMIL-AWEZNQCLSA-N 1 0 389.427 3.094 20 5 GGBDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000185204165 1431084013 /nfs/dbraw/zinc/08/40/13/1431084013.db2.gz PUFBSFNPABSPMG-CQSZACIVSA-N 1 0 376.413 3.129 20 5 GGBDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000185204151 1431084199 /nfs/dbraw/zinc/08/41/99/1431084199.db2.gz PUFBSFNPABSPMG-AWEZNQCLSA-N 1 0 376.413 3.129 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](c1ncc(C)s1)C1CC1 ZINC000185279031 1431098881 /nfs/dbraw/zinc/09/88/81/1431098881.db2.gz TVTXMQWGNUVMIT-KRWDZBQOSA-N 1 0 390.465 3.438 20 5 GGBDRO CC[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000185342682 1431120365 /nfs/dbraw/zinc/12/03/65/1431120365.db2.gz UJDVJUHEVJKKND-NHCUHLMSSA-N 1 0 397.475 3.106 20 5 GGBDRO CC[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000185342666 1431120384 /nfs/dbraw/zinc/12/03/84/1431120384.db2.gz UJDVJUHEVJKKND-LEWJYISDSA-N 1 0 397.475 3.106 20 5 GGBDRO CC[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000185342645 1431120651 /nfs/dbraw/zinc/12/06/51/1431120651.db2.gz UJDVJUHEVJKKND-RTWAWAEBSA-N 1 0 397.475 3.106 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000185343921 1431120992 /nfs/dbraw/zinc/12/09/92/1431120992.db2.gz GADCSQGEMFSYFP-PXNSSMCTSA-N 1 0 397.475 3.024 20 5 GGBDRO Cn1cc([C@@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)cn1 ZINC000185419783 1431141920 /nfs/dbraw/zinc/14/19/20/1431141920.db2.gz VBFSYPREMIXJHG-FQEVSTJZSA-N 1 0 397.410 3.175 20 5 GGBDRO C[C@@H](c1ccsc1)N1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000185462218 1431150414 /nfs/dbraw/zinc/15/04/14/1431150414.db2.gz AFXVMXSKVPFODX-HNNXBMFYSA-N 1 0 388.493 3.364 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185492449 1431156857 /nfs/dbraw/zinc/15/68/57/1431156857.db2.gz DBABOETVPWLJGN-UHFFFAOYSA-N 1 0 383.448 3.215 20 5 GGBDRO COc1cccc(N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000185531984 1431165336 /nfs/dbraw/zinc/16/53/36/1431165336.db2.gz YRDZIEARRYCDJI-IYBDPMFKSA-N 1 0 377.485 3.319 20 5 GGBDRO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1COc2ccccc21 ZINC000185550266 1431168855 /nfs/dbraw/zinc/16/88/55/1431168855.db2.gz KVXHFAAVVRZBRY-SMDDNHRTSA-N 1 0 375.812 3.341 20 5 GGBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1COc2ccccc21 ZINC000185550244 1431168922 /nfs/dbraw/zinc/16/89/22/1431168922.db2.gz KVXHFAAVVRZBRY-RISCZKNCSA-N 1 0 375.812 3.341 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000185551455 1431169405 /nfs/dbraw/zinc/16/94/05/1431169405.db2.gz WMXLYTOZJOKBKN-CJNGLKHVSA-N 1 0 385.420 3.086 20 5 GGBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC000185607836 1431182571 /nfs/dbraw/zinc/18/25/71/1431182571.db2.gz PEKSXWKYMSRUDV-XEZPLFJOSA-N 1 0 385.420 3.085 20 5 GGBDRO C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185669783 1431201172 /nfs/dbraw/zinc/20/11/72/1431201172.db2.gz VRRKKBPHUYXCGT-KGLIPLIRSA-N 1 0 394.903 3.429 20 5 GGBDRO C[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185689749 1431206843 /nfs/dbraw/zinc/20/68/43/1431206843.db2.gz WUILGIXWGOFZKM-GOEBONIOSA-N 1 0 385.468 3.387 20 5 GGBDRO C[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185720121 1431214905 /nfs/dbraw/zinc/21/49/05/1431214905.db2.gz BUGJBKLJDNVZDL-GOEBONIOSA-N 1 0 385.468 3.387 20 5 GGBDRO Cc1c(NC(=O)[C@@H](C)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000185729136 1431217380 /nfs/dbraw/zinc/21/73/80/1431217380.db2.gz YPINAUVXJACSLP-GVDBMIGSSA-N 1 0 388.512 3.473 20 5 GGBDRO C[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185754281 1431225448 /nfs/dbraw/zinc/22/54/48/1431225448.db2.gz GTKGXOOJSMHCLI-GDBMZVCRSA-N 1 0 385.468 3.387 20 5 GGBDRO CC[NH+]1CCC(n2nccc2NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000185772612 1431231095 /nfs/dbraw/zinc/23/10/95/1431231095.db2.gz YEVJQZINBLKASP-ZDUSSCGKSA-N 1 0 389.431 3.329 20 5 GGBDRO C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000185874728 1431258964 /nfs/dbraw/zinc/25/89/64/1431258964.db2.gz HIUHTGJEGNGVLC-INIZCTEOSA-N 1 0 388.537 3.439 20 5 GGBDRO C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000185874746 1431259025 /nfs/dbraw/zinc/25/90/25/1431259025.db2.gz HIUHTGJEGNGVLC-MRXNPFEDSA-N 1 0 388.537 3.439 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000185969064 1431300837 /nfs/dbraw/zinc/30/08/37/1431300837.db2.gz QKLHUUGOEGMBTH-INIZCTEOSA-N 1 0 395.525 3.260 20 5 GGBDRO CC[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000186033999 1431315878 /nfs/dbraw/zinc/31/58/78/1431315878.db2.gz WKXAMPQOZJWJIU-IBGZPJMESA-N 1 0 389.477 3.376 20 5 GGBDRO CSc1cccc(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000186114077 1431333547 /nfs/dbraw/zinc/33/35/47/1431333547.db2.gz WNRMCJJYPSBWMX-AWEZNQCLSA-N 1 0 385.489 3.493 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000186181292 1431347885 /nfs/dbraw/zinc/34/78/85/1431347885.db2.gz CSGJISOKNJSBPB-UHFFFAOYSA-N 1 0 395.525 3.185 20 5 GGBDRO COc1ccc(CSCC(=O)NCC2(C[NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000186200117 1431350891 /nfs/dbraw/zinc/35/08/91/1431350891.db2.gz BAWCKRSQJYPMGI-UHFFFAOYSA-N 1 0 395.525 3.075 20 5 GGBDRO Cc1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1NC(=O)CC[NH+](C)C ZINC000186231752 1431357923 /nfs/dbraw/zinc/35/79/23/1431357923.db2.gz YKZLJUMNIMPUJX-UHFFFAOYSA-N 1 0 384.436 3.354 20 5 GGBDRO Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1NC(=O)CC[NH+](C)C ZINC000186273206 1431368317 /nfs/dbraw/zinc/36/83/17/1431368317.db2.gz BYUWDEDTYRWLBU-UHFFFAOYSA-N 1 0 384.436 3.354 20 5 GGBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CCCO[C@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000186386269 1431397790 /nfs/dbraw/zinc/39/77/90/1431397790.db2.gz LNDAQERTKHRSHR-AEFFLSMTSA-N 1 0 379.457 3.115 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCCO[C@H]1CC(C)C ZINC000186399422 1431401596 /nfs/dbraw/zinc/40/15/96/1431401596.db2.gz GTGRRPDKURPBLT-YJBOKZPZSA-N 1 0 379.457 3.115 20 5 GGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc(COc2ccccc2)n[nH]1 ZINC000186426403 1431415498 /nfs/dbraw/zinc/41/54/98/1431415498.db2.gz YCPFXRXDWHGONM-HNNXBMFYSA-N 1 0 381.436 3.403 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(SC)c2[N+](=O)[O-])[C@H](C)C1 ZINC000186514267 1431443459 /nfs/dbraw/zinc/44/34/59/1431443459.db2.gz UOKAFSITGWHOHA-GDBMZVCRSA-N 1 0 395.525 3.184 20 5 GGBDRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1(C)C ZINC000186576747 1431458878 /nfs/dbraw/zinc/45/88/78/1431458878.db2.gz JIFKJGWFGVPINE-LPHOPBHVSA-N 1 0 391.493 3.374 20 5 GGBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186590887 1431462553 /nfs/dbraw/zinc/46/25/53/1431462553.db2.gz LRQYEGZTKAJEHY-MRXNPFEDSA-N 1 0 388.855 3.428 20 5 GGBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000186608308 1431467801 /nfs/dbraw/zinc/46/78/01/1431467801.db2.gz SMTZIALKCAAKSP-PXNSSMCTSA-N 1 0 388.489 3.370 20 5 GGBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c([N+](=O)[O-])c1 ZINC000186627321 1431473369 /nfs/dbraw/zinc/47/33/69/1431473369.db2.gz SUPMNSVCSJVUGB-OAQYLSRUSA-N 1 0 397.431 3.063 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186687932 1431492857 /nfs/dbraw/zinc/49/28/57/1431492857.db2.gz ZGSSERUYZJQFGT-NRFANRHFSA-N 1 0 397.431 3.063 20 5 GGBDRO CCOC(=O)C[C@](C)([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)C ZINC000186706704 1431497081 /nfs/dbraw/zinc/49/70/81/1431497081.db2.gz HYPOQSSTWZCUJB-SFHVURJKSA-N 1 0 376.413 3.102 20 5 GGBDRO CCOC(=O)C[C@](C)([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000186711833 1431498768 /nfs/dbraw/zinc/49/87/68/1431498768.db2.gz OZXJRSSEOORKRF-KRWDZBQOSA-N 1 0 385.848 3.144 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000186788086 1431517142 /nfs/dbraw/zinc/51/71/42/1431517142.db2.gz VOAYBHDBZXQCDH-UHFFFAOYSA-N 1 0 398.463 3.432 20 5 GGBDRO CC1(C)OCc2cc(C[N@@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)ccc2O1 ZINC000186821053 1431527821 /nfs/dbraw/zinc/52/78/21/1431527821.db2.gz NSJLVLGAOUXEPY-INIZCTEOSA-N 1 0 384.436 3.321 20 5 GGBDRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187045774 1431599275 /nfs/dbraw/zinc/59/92/75/1431599275.db2.gz XHJJQEYNMHYBNE-UHFFFAOYSA-N 1 0 384.436 3.001 20 5 GGBDRO C[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000187213335 1431650259 /nfs/dbraw/zinc/65/02/59/1431650259.db2.gz YJLKZFXCTURQIU-MGPUTAFESA-N 1 0 393.447 3.202 20 5 GGBDRO C[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187213312 1431650580 /nfs/dbraw/zinc/65/05/80/1431650580.db2.gz YJLKZFXCTURQIU-YWZLYKJASA-N 1 0 393.447 3.202 20 5 GGBDRO C[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187241858 1431661625 /nfs/dbraw/zinc/66/16/25/1431661625.db2.gz RYVNTRQFZFBEEN-QRWLVFNGSA-N 1 0 393.447 3.202 20 5 GGBDRO C[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187255532 1431668298 /nfs/dbraw/zinc/66/82/98/1431668298.db2.gz SWXDTSXWGNADMG-YWZLYKJASA-N 1 0 393.447 3.202 20 5 GGBDRO C[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187264239 1431672235 /nfs/dbraw/zinc/67/22/35/1431672235.db2.gz CVBHPGQVMFADHV-QRWLVFNGSA-N 1 0 393.447 3.202 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)c1 ZINC000187612283 1431779339 /nfs/dbraw/zinc/77/93/39/1431779339.db2.gz QMTKNCZQJNSZDP-FQEVSTJZSA-N 1 0 383.448 3.244 20 5 GGBDRO COc1cccc([C@@H](CNC(=O)c2cccc(SC)c2[N+](=O)[O-])[NH+](C)C)c1 ZINC000188016529 1431836786 /nfs/dbraw/zinc/83/67/86/1431836786.db2.gz RRNRLLSSRUIPQJ-MRXNPFEDSA-N 1 0 389.477 3.358 20 5 GGBDRO COc1cccc([C@H](CNC(=O)c2cccc(SC)c2[N+](=O)[O-])[NH+](C)C)c1 ZINC000188016501 1431836851 /nfs/dbraw/zinc/83/68/51/1431836851.db2.gz RRNRLLSSRUIPQJ-INIZCTEOSA-N 1 0 389.477 3.358 20 5 GGBDRO CSc1cccc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1[N+](=O)[O-] ZINC000188016441 1431836885 /nfs/dbraw/zinc/83/68/85/1431836885.db2.gz XZYHTQFSFSBQPD-HNNXBMFYSA-N 1 0 377.441 3.489 20 5 GGBDRO CSc1cccc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000188071723 1431842380 /nfs/dbraw/zinc/84/23/80/1431842380.db2.gz ICNOAZYQCDTWAT-OAHLLOKOSA-N 1 0 377.441 3.489 20 5 GGBDRO CSc1cccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000188246670 1431865417 /nfs/dbraw/zinc/86/54/17/1431865417.db2.gz KHCPVHUVFFCYCW-BBRMVZONSA-N 1 0 375.494 3.406 20 5 GGBDRO COc1cc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc([N+](=O)[O-])c1C ZINC000188438028 1431884154 /nfs/dbraw/zinc/88/41/54/1431884154.db2.gz BUHHOVYARICNLR-UHFFFAOYSA-N 1 0 383.448 3.438 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188633776 1431911030 /nfs/dbraw/zinc/91/10/30/1431911030.db2.gz HHJFUWBQFOPDEB-MRXNPFEDSA-N 1 0 390.484 3.022 20 5 GGBDRO C[C@@H](O)C[NH+]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000188722565 1431946641 /nfs/dbraw/zinc/94/66/41/1431946641.db2.gz DTLMIZZOEUPBER-CYBMUJFWSA-N 1 0 379.844 3.007 20 5 GGBDRO COc1cc(C[NH2+]C[C@H]2CC[C@@H](O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000188855664 1431998786 /nfs/dbraw/zinc/99/87/86/1431998786.db2.gz LENRBGOLEDHALG-QFBILLFUSA-N 1 0 386.448 3.433 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000188972943 1432019331 /nfs/dbraw/zinc/01/93/31/1432019331.db2.gz QQAHIWHEGDXSNE-RDTXWAMCSA-N 1 0 375.375 3.057 20 5 GGBDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)cc([N+](=O)[O-])c1 ZINC000189016396 1432027396 /nfs/dbraw/zinc/02/73/96/1432027396.db2.gz QXUGKAYGAHKBMM-CRAIPNDOSA-N 1 0 375.375 3.057 20 5 GGBDRO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000189210049 1432063707 /nfs/dbraw/zinc/06/37/07/1432063707.db2.gz ONYBDFOLQUPIPV-OAHLLOKOSA-N 1 0 389.477 3.328 20 5 GGBDRO COC(=O)c1cnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c([N+](=O)[O-])c1 ZINC000189357263 1432092707 /nfs/dbraw/zinc/09/27/07/1432092707.db2.gz AFAMVZBNXALKCH-OAHLLOKOSA-N 1 0 390.484 3.257 20 5 GGBDRO COc1cc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000189358196 1432092737 /nfs/dbraw/zinc/09/27/37/1432092737.db2.gz KTKXPFVAUMWIAN-WOJBJXKFSA-N 1 0 386.448 3.431 20 5 GGBDRO COc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(OC)c2)[NH+](C)C)cc1OC ZINC000189405719 1432099783 /nfs/dbraw/zinc/09/97/83/1432099783.db2.gz UKEREIQZGRMUCE-INIZCTEOSA-N 1 0 375.425 3.335 20 5 GGBDRO COc1ccc([C@@H](CNc2cccc(OC)c2[N+](=O)[O-])[NH+](C)C)cc1OC ZINC000189408179 1432100396 /nfs/dbraw/zinc/10/03/96/1432100396.db2.gz QMOADMSNQHKFAQ-OAHLLOKOSA-N 1 0 375.425 3.335 20 5 GGBDRO COc1ccc([C@H](CNc2cccc(OC)c2[N+](=O)[O-])[NH+](C)C)cc1OC ZINC000189408153 1432100732 /nfs/dbraw/zinc/10/07/32/1432100732.db2.gz QMOADMSNQHKFAQ-HNNXBMFYSA-N 1 0 375.425 3.335 20 5 GGBDRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000189425730 1432106993 /nfs/dbraw/zinc/10/69/93/1432106993.db2.gz AMQRLBHRRNPBIV-UHFFFAOYSA-N 1 0 398.463 3.034 20 5 GGBDRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000189426642 1432107260 /nfs/dbraw/zinc/10/72/60/1432107260.db2.gz AKHSNWYIPCWJMP-OAHLLOKOSA-N 1 0 398.463 3.253 20 5 GGBDRO CC(C)c1ccc(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000189499013 1432136341 /nfs/dbraw/zinc/13/63/41/1432136341.db2.gz FBPHIJSXKSIZBR-UHFFFAOYSA-N 1 0 388.512 3.007 20 5 GGBDRO CC(C)OC(=O)C[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000189582203 1432166509 /nfs/dbraw/zinc/16/65/09/1432166509.db2.gz SSRRUPULBWNJHT-AWEZNQCLSA-N 1 0 395.431 3.116 20 5 GGBDRO CCOC(=O)[C@@](C)(C[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000189988764 1432300541 /nfs/dbraw/zinc/30/05/41/1432300541.db2.gz QPKMIHNZSJZPBU-VFNWGFHPSA-N 1 0 399.447 3.032 20 5 GGBDRO CC(C)c1ccc(C(=O)N2CCC(OCCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000190018195 1432306099 /nfs/dbraw/zinc/30/60/99/1432306099.db2.gz OYTUFLWEMCKICN-UHFFFAOYSA-N 1 0 377.485 3.291 20 5 GGBDRO Cc1ccc(C)c(S(=O)(=O)N(CC[NH+](C)C)Cc2cccs2)c1[N+](=O)[O-] ZINC000190063009 1432312855 /nfs/dbraw/zinc/31/28/55/1432312855.db2.gz VOIHFDFNMSJMEX-UHFFFAOYSA-N 1 0 397.522 3.026 20 5 GGBDRO COC(=O)c1cnc(NC[C@H](c2cccs2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000190164541 1432331543 /nfs/dbraw/zinc/33/15/43/1432331543.db2.gz DFVOPFMIISSUHP-CQSZACIVSA-N 1 0 376.438 3.087 20 5 GGBDRO COC(=O)c1cnc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c([N+](=O)[O-])c1 ZINC000190170880 1432332891 /nfs/dbraw/zinc/33/28/91/1432332891.db2.gz OYEIVHPXVWEJLU-CYBMUJFWSA-N 1 0 390.465 3.162 20 5 GGBDRO Cc1ccc(NC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc1[N+](=O)[O-] ZINC000190330759 1432362953 /nfs/dbraw/zinc/36/29/53/1432362953.db2.gz MERSSHOEMYYBQU-UHFFFAOYSA-N 1 0 396.447 3.119 20 5 GGBDRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)Nc1cccc([N+](=O)[O-])c1 ZINC000190421141 1432378596 /nfs/dbraw/zinc/37/85/96/1432378596.db2.gz OYVQSLVAJZRCAL-LJQANCHMSA-N 1 0 384.436 3.007 20 5 GGBDRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)cc([N+](=O)[O-])c1C ZINC000190478523 1432389158 /nfs/dbraw/zinc/38/91/58/1432389158.db2.gz NNDWUEDEXGYIHY-UHFFFAOYSA-N 1 0 375.425 3.017 20 5 GGBDRO CC(C)c1ccc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000190488115 1432390842 /nfs/dbraw/zinc/39/08/42/1432390842.db2.gz RWVXNPFDPBOLAH-LJQANCHMSA-N 1 0 397.475 3.215 20 5 GGBDRO COc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc([N+](=O)[O-])c1C ZINC000190609071 1432419535 /nfs/dbraw/zinc/41/95/35/1432419535.db2.gz FQMODRSFHRZCMP-UHFFFAOYSA-N 1 0 398.463 3.224 20 5 GGBDRO CCc1nnc(C2CC[NH+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)[nH]1 ZINC000190709829 1432450694 /nfs/dbraw/zinc/45/06/94/1432450694.db2.gz NSNLCXUWCKABJO-UHFFFAOYSA-N 1 0 396.451 3.352 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000190851315 1432507265 /nfs/dbraw/zinc/50/72/65/1432507265.db2.gz BKBRSUZNLBPUOH-LJQANCHMSA-N 1 0 398.463 3.316 20 5 GGBDRO CC[NH+](CC)Cc1ccc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000191055109 1432558614 /nfs/dbraw/zinc/55/86/14/1432558614.db2.gz QIDZDZOATSBSIK-UHFFFAOYSA-N 1 0 391.493 3.421 20 5 GGBDRO Cn1cc([C@@H]2CSCC[N@@H+]2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cn1 ZINC000191214688 1432593826 /nfs/dbraw/zinc/59/38/26/1432593826.db2.gz SNWJDRBYFRSKTA-KRWDZBQOSA-N 1 0 399.476 3.316 20 5 GGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000191366203 1432642717 /nfs/dbraw/zinc/64/27/17/1432642717.db2.gz OVABBPPVQGWTMX-UHFFFAOYSA-N 1 0 386.452 3.474 20 5 GGBDRO CCC1(CC)[C@@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1OC ZINC000191379418 1432646228 /nfs/dbraw/zinc/64/62/28/1432646228.db2.gz GTKKXFLTQYKEEX-IRXDYDNUSA-N 1 0 379.457 3.115 20 5 GGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000191388965 1432648372 /nfs/dbraw/zinc/64/83/72/1432648372.db2.gz GWWITBOBQLDIDT-GOSISDBHSA-N 1 0 398.463 3.100 20 5 GGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000191391969 1432649604 /nfs/dbraw/zinc/64/96/04/1432649604.db2.gz VOWNXBNYEMTTJC-UHFFFAOYSA-N 1 0 383.452 3.393 20 5 GGBDRO COC[C@@H](Cc1ccccc1)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000191489519 1432670498 /nfs/dbraw/zinc/67/04/98/1432670498.db2.gz MFEUJBVTVBDXHY-LJQANCHMSA-N 1 0 385.464 3.421 20 5 GGBDRO CCCn1ccnc1CCC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000191497776 1432672975 /nfs/dbraw/zinc/67/29/75/1432672975.db2.gz AUJLUQLFMXQEMF-UHFFFAOYSA-N 1 0 393.875 3.358 20 5 GGBDRO C[NH+](C)CCn1ccc(NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)n1 ZINC000191624023 1432694910 /nfs/dbraw/zinc/69/49/10/1432694910.db2.gz AFMBUNKIJXHNLU-UHFFFAOYSA-N 1 0 386.334 3.016 20 5 GGBDRO CCn1nccc1N1CCC[C@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1=O ZINC000191641706 1432698647 /nfs/dbraw/zinc/69/86/47/1432698647.db2.gz RUCCBVGZRQSEEV-KRWDZBQOSA-N 1 0 385.468 3.220 20 5 GGBDRO COc1cc(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)cc([N+](=O)[O-])c1C ZINC000191678258 1432704575 /nfs/dbraw/zinc/70/45/75/1432704575.db2.gz IPECSYHBAKACSD-UHFFFAOYSA-N 1 0 387.436 3.241 20 5 GGBDRO COc1cc(C[NH2+]C[C@](C)(Cc2ccccc2)[C@@H](C)O)c([N+](=O)[O-])cc1OC ZINC000191714838 1432712134 /nfs/dbraw/zinc/71/21/34/1432712134.db2.gz IOLOKLGHOUACHD-VFNWGFHPSA-N 1 0 388.464 3.331 20 5 GGBDRO Cc1ccc(C[NH+](C)C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191941001 1432761464 /nfs/dbraw/zinc/76/14/64/1432761464.db2.gz XABIWHYPADIWBD-UHFFFAOYSA-N 1 0 377.466 3.382 20 5 GGBDRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000191949102 1432763773 /nfs/dbraw/zinc/76/37/73/1432763773.db2.gz WTOGWFDKTPIFSI-UHFFFAOYSA-N 1 0 391.855 3.461 20 5 GGBDRO O=C(C[NH2+][C@@H]1CCO[C@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000191962407 1432768853 /nfs/dbraw/zinc/76/88/53/1432768853.db2.gz FXMGOGZEBGHDRQ-AEFFLSMTSA-N 1 0 375.812 3.307 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192058170 1432789747 /nfs/dbraw/zinc/78/97/47/1432789747.db2.gz GCZWBWNGDJRYRK-GPMSIDNRSA-N 1 0 392.839 3.108 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192058187 1432789758 /nfs/dbraw/zinc/78/97/58/1432789758.db2.gz GCZWBWNGDJRYRK-TXPKVOOTSA-N 1 0 392.839 3.108 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192111479 1432800012 /nfs/dbraw/zinc/80/00/12/1432800012.db2.gz QKJQKPPZFNXCDP-HKUYNNGSSA-N 1 0 391.374 3.240 20 5 GGBDRO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192111722 1432800022 /nfs/dbraw/zinc/80/00/22/1432800022.db2.gz WLXCBPBOGGTIJT-XNAIMREJSA-N 1 0 391.374 3.320 20 5 GGBDRO O=C(CC[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000192125774 1432802122 /nfs/dbraw/zinc/80/21/22/1432802122.db2.gz NAIZTOHMCAWDFO-MJGOQNOKSA-N 1 0 391.374 3.321 20 5 GGBDRO O=C(CC[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000192125769 1432802141 /nfs/dbraw/zinc/80/21/41/1432802141.db2.gz NAIZTOHMCAWDFO-PKOBYXMFSA-N 1 0 391.374 3.321 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192124766 1432802179 /nfs/dbraw/zinc/80/21/79/1432802179.db2.gz JVZLQIJRNGSUJY-APWZRJJASA-N 1 0 391.374 3.240 20 5 GGBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000192138535 1432804994 /nfs/dbraw/zinc/80/49/94/1432804994.db2.gz KXVNPTCWQYCVJR-UZCIPKQKSA-N 1 0 391.374 3.320 20 5 GGBDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000192138546 1432805054 /nfs/dbraw/zinc/80/50/54/1432805054.db2.gz KXVNPTCWQYCVJR-FJNPEDAXSA-N 1 0 391.374 3.320 20 5 GGBDRO O=C(CC[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000192140074 1432805731 /nfs/dbraw/zinc/80/57/31/1432805731.db2.gz KFOMFEHHXXHLEP-QFBILLFUSA-N 1 0 391.374 3.321 20 5 GGBDRO CCc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000192220472 1432818573 /nfs/dbraw/zinc/81/85/73/1432818573.db2.gz JREFYSUCPGTQHV-HXUWFJFHSA-N 1 0 397.475 3.178 20 5 GGBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCCc3c(O)cccc32)c([N+](=O)[O-])c1 ZINC000192360213 1432836738 /nfs/dbraw/zinc/83/67/38/1432836738.db2.gz UNAMLOYPTJMQHN-BLLLJJGKSA-N 1 0 385.420 3.303 20 5 GGBDRO COc1cccc(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1[N+](=O)[O-] ZINC000192471537 1432848721 /nfs/dbraw/zinc/84/87/21/1432848721.db2.gz GOIVUEULNRYRLI-INIZCTEOSA-N 1 0 375.469 3.188 20 5 GGBDRO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000192501754 1432851997 /nfs/dbraw/zinc/85/19/97/1432851997.db2.gz CCNIGMVIPZXBHZ-GJZGRUSLSA-N 1 0 387.484 3.341 20 5 GGBDRO COc1cccc(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)c1[N+](=O)[O-] ZINC000192586265 1432863126 /nfs/dbraw/zinc/86/31/26/1432863126.db2.gz KHQUMQRNIBUHPO-UHFFFAOYSA-N 1 0 393.827 3.450 20 5 GGBDRO C[C@H]1CN(c2ccc(C[NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)cn2)CCO1 ZINC000192676939 1432874471 /nfs/dbraw/zinc/87/44/71/1432874471.db2.gz QWZXJYGEECKSDA-MGPUTAFESA-N 1 0 382.464 3.382 20 5 GGBDRO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)cn2)CCO1 ZINC000192676922 1432874536 /nfs/dbraw/zinc/87/45/36/1432874536.db2.gz QWZXJYGEECKSDA-FOIQADDNSA-N 1 0 382.464 3.382 20 5 GGBDRO CCC(CC)(C[NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)OC ZINC000192699935 1432876953 /nfs/dbraw/zinc/87/69/53/1432876953.db2.gz KSYXAPJYTOAXHT-GFCCVEGCSA-N 1 0 376.413 3.275 20 5 GGBDRO CCc1n[nH]c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192777870 1432889339 /nfs/dbraw/zinc/88/93/39/1432889339.db2.gz PGNCLHXQLUBTAV-AEFFLSMTSA-N 1 0 397.479 3.007 20 5 GGBDRO CCc1n[nH]c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192777896 1432889453 /nfs/dbraw/zinc/88/94/53/1432889453.db2.gz PGNCLHXQLUBTAV-WMZOPIPTSA-N 1 0 397.479 3.007 20 5 GGBDRO COC(=O)c1cc(C[N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)oc1C ZINC000192825484 1432895386 /nfs/dbraw/zinc/89/53/86/1432895386.db2.gz KZCJRLAQKPAXLR-UHFFFAOYSA-N 1 0 389.408 3.052 20 5 GGBDRO COC(=O)c1cc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)oc1C ZINC000192825464 1432895413 /nfs/dbraw/zinc/89/54/13/1432895413.db2.gz OSTDBXMOTCWHMZ-UHFFFAOYSA-N 1 0 389.408 3.052 20 5 GGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)CCC2 ZINC000192882341 1432902622 /nfs/dbraw/zinc/90/26/22/1432902622.db2.gz DIWVYPVEZPORSI-CQSZACIVSA-N 1 0 381.358 3.483 20 5 GGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)CCC2 ZINC000192882354 1432902764 /nfs/dbraw/zinc/90/27/64/1432902764.db2.gz DIWVYPVEZPORSI-AWEZNQCLSA-N 1 0 381.358 3.483 20 5 GGBDRO COc1cc(CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000192918048 1432907507 /nfs/dbraw/zinc/90/75/07/1432907507.db2.gz WMURWTFGSYXMNA-QGZVFWFLSA-N 1 0 385.464 3.224 20 5 GGBDRO COc1ccc(CN2CC[C@@H]([NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)C2=O)cc1 ZINC000192998974 1432919548 /nfs/dbraw/zinc/91/95/48/1432919548.db2.gz KFAOYBCLYYMFQK-LEWJYISDSA-N 1 0 395.459 3.372 20 5 GGBDRO O=C1COc2ccccc2N1CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193008312 1432921420 /nfs/dbraw/zinc/92/14/20/1432921420.db2.gz XNWLNMMSUOQAIJ-GOSISDBHSA-N 1 0 381.432 3.378 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000193192967 1432955098 /nfs/dbraw/zinc/95/50/98/1432955098.db2.gz MCBJMORVXDDWRC-UHFFFAOYSA-N 1 0 383.448 3.040 20 5 GGBDRO O=C(NCc1ccccc1[N+](=O)[O-])NC1CC[NH+](CCc2ccccc2)CC1 ZINC000193200011 1432957007 /nfs/dbraw/zinc/95/70/07/1432957007.db2.gz DJDTZHVECLBMJZ-UHFFFAOYSA-N 1 0 382.464 3.101 20 5 GGBDRO C[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193315154 1432977992 /nfs/dbraw/zinc/97/79/92/1432977992.db2.gz PVXNGPDESRZDJQ-AWEZNQCLSA-N 1 0 382.363 3.068 20 5 GGBDRO COc1ccc([C@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C2CC2)cc1 ZINC000193342887 1432982929 /nfs/dbraw/zinc/98/29/29/1432982929.db2.gz KOGYENUJPOCWHQ-OAQYLSRUSA-N 1 0 381.432 3.233 20 5 GGBDRO CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3nnc(C[NH3+])[nH]3)cc2)cc1[N+](=O)[O-] ZINC000193345548 1432983565 /nfs/dbraw/zinc/98/35/65/1432983565.db2.gz ZYZBDEPSCWWOGW-UHFFFAOYSA-N 1 0 394.435 3.388 20 5 GGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000193351090 1432984248 /nfs/dbraw/zinc/98/42/48/1432984248.db2.gz CNZNAMASBDXZOG-UHFFFAOYSA-N 1 0 390.871 3.460 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000193401601 1432991892 /nfs/dbraw/zinc/99/18/92/1432991892.db2.gz NSZBOBQEXFQQBC-UHFFFAOYSA-N 1 0 398.463 3.199 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000193492351 1433008351 /nfs/dbraw/zinc/00/83/51/1433008351.db2.gz VHNPJOSYHDPCNP-UGSOOPFHSA-N 1 0 385.420 3.266 20 5 GGBDRO C[N@H+](CCSCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000193615245 1433029373 /nfs/dbraw/zinc/02/93/73/1433029373.db2.gz KRCGGPVWSHIYGH-UHFFFAOYSA-N 1 0 385.489 3.349 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193625057 1433030598 /nfs/dbraw/zinc/03/05/98/1433030598.db2.gz BSMZAIFQOFWCMD-MRXNPFEDSA-N 1 0 384.436 3.247 20 5 GGBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193784944 1433058948 /nfs/dbraw/zinc/05/89/48/1433058948.db2.gz OPFWTTQQIGBSIL-SFHVURJKSA-N 1 0 383.448 3.002 20 5 GGBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193803692 1433063171 /nfs/dbraw/zinc/06/31/71/1433063171.db2.gz DHOZBCQELKPUQI-QGZVFWFLSA-N 1 0 392.459 3.257 20 5 GGBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000193828133 1433067807 /nfs/dbraw/zinc/06/78/07/1433067807.db2.gz MMLGYRHZHQAVAZ-UHFFFAOYSA-N 1 0 396.491 3.144 20 5 GGBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000193829851 1433068353 /nfs/dbraw/zinc/06/83/53/1433068353.db2.gz RZXWXBCLOLSOHT-GOSISDBHSA-N 1 0 383.448 3.317 20 5 GGBDRO COc1ccc([C@@H](CNC(=O)c2cccc(OC)c2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000193836535 1433069663 /nfs/dbraw/zinc/06/96/63/1433069663.db2.gz GIWVHDBBEUGEEG-GOSISDBHSA-N 1 0 399.447 3.179 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193840959 1433070947 /nfs/dbraw/zinc/07/09/47/1433070947.db2.gz YZRRBRPWXJNHPA-MRXNPFEDSA-N 1 0 387.867 3.429 20 5 GGBDRO CCCC[N@H+](C)CC1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000193944647 1433089873 /nfs/dbraw/zinc/08/98/73/1433089873.db2.gz DASOOVPEFSGRIP-UHFFFAOYSA-N 1 0 392.500 3.257 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000193947292 1433090434 /nfs/dbraw/zinc/09/04/34/1433090434.db2.gz BFQICYKCJMBSFO-HZPDHXFCSA-N 1 0 392.500 3.161 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000193947174 1433090479 /nfs/dbraw/zinc/09/04/79/1433090479.db2.gz SEBWLFZXDGTJGT-HNNXBMFYSA-N 1 0 378.473 3.057 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000193948452 1433090686 /nfs/dbraw/zinc/09/06/86/1433090686.db2.gz JBAGPSIIOMYBLV-UHFFFAOYSA-N 1 0 398.463 3.199 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000193952629 1433091279 /nfs/dbraw/zinc/09/12/79/1433091279.db2.gz LLVNASYLXOAYRL-IBGZPJMESA-N 1 0 398.463 3.240 20 5 GGBDRO CSc1ccc(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000193978469 1433095161 /nfs/dbraw/zinc/09/51/61/1433095161.db2.gz TTYSHZAGPCJJGU-UHFFFAOYSA-N 1 0 386.477 3.106 20 5 GGBDRO COc1cccc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000194008922 1433100157 /nfs/dbraw/zinc/10/01/57/1433100157.db2.gz MXLHJPXJRHWBMA-UHFFFAOYSA-N 1 0 383.448 3.040 20 5 GGBDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1O2 ZINC000194035109 1433104828 /nfs/dbraw/zinc/10/48/28/1433104828.db2.gz FGQIXIYZHPKRAT-OAHLLOKOSA-N 1 0 387.461 3.374 20 5 GGBDRO C[C@@H](NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000194058932 1433109558 /nfs/dbraw/zinc/10/95/58/1433109558.db2.gz OMLQTQFUCSGZOO-SJLPKXTDSA-N 1 0 382.464 3.477 20 5 GGBDRO COc1cccc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1[N+](=O)[O-] ZINC000194184422 1433134059 /nfs/dbraw/zinc/13/40/59/1433134059.db2.gz BBHYZEBQFJTZFL-UHFFFAOYSA-N 1 0 387.461 3.405 20 5 GGBDRO COc1cccc([C@@H](CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000194277005 1433154032 /nfs/dbraw/zinc/15/40/32/1433154032.db2.gz YLRMGLUCEDNJOJ-AUUYWEPGSA-N 1 0 386.452 3.267 20 5 GGBDRO CC[NH+](CC)Cc1cccc(CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000194348791 1433165062 /nfs/dbraw/zinc/16/50/62/1433165062.db2.gz JONUYNWTYSIKDF-UHFFFAOYSA-N 1 0 395.456 3.054 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000194399576 1433172226 /nfs/dbraw/zinc/17/22/26/1433172226.db2.gz QYPRGYWFMBWJAJ-IRXDYDNUSA-N 1 0 397.475 3.442 20 5 GGBDRO COc1cccc(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000194442625 1433178704 /nfs/dbraw/zinc/17/87/04/1433178704.db2.gz MHZPUMRXPHUUHX-MRXNPFEDSA-N 1 0 383.448 3.340 20 5 GGBDRO C[C@@H](NC(=O)NCC1([NH+]2CCSCC2)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000194507999 1433189756 /nfs/dbraw/zinc/18/97/56/1433189756.db2.gz JOMFKZSCJOGFDD-OAHLLOKOSA-N 1 0 392.525 3.317 20 5 GGBDRO COc1cccc(C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000194543385 1433195223 /nfs/dbraw/zinc/19/52/23/1433195223.db2.gz LQVUYBFLSNWPSX-KRWDZBQOSA-N 1 0 383.448 3.340 20 5 GGBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000194546860 1433195576 /nfs/dbraw/zinc/19/55/76/1433195576.db2.gz OSIZAWMYWFXYAM-QGZVFWFLSA-N 1 0 383.448 3.340 20 5 GGBDRO CC[N@H+](C)Cc1cccc(CNC(=O)NCc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000194670574 1433213498 /nfs/dbraw/zinc/21/34/98/1433213498.db2.gz MWOIUWJCTWVQAS-UHFFFAOYSA-N 1 0 386.452 3.055 20 5 GGBDRO COc1cccc(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c1[N+](=O)[O-] ZINC000194755956 1433225443 /nfs/dbraw/zinc/22/54/43/1433225443.db2.gz QXYLQODSIBWISV-UHFFFAOYSA-N 1 0 375.469 3.376 20 5 GGBDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000194764791 1433226917 /nfs/dbraw/zinc/22/69/17/1433226917.db2.gz JVYHBNZIRVGBNR-OAHLLOKOSA-N 1 0 391.493 3.476 20 5 GGBDRO CCN(C(=O)c1cccc(OC)c1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194869720 1433252769 /nfs/dbraw/zinc/25/27/69/1433252769.db2.gz WDIOQOFSUTXCDT-QGZVFWFLSA-N 1 0 383.448 3.340 20 5 GGBDRO CCN(C(=O)c1cccc(OC)c1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194869734 1433252839 /nfs/dbraw/zinc/25/28/39/1433252839.db2.gz WDIOQOFSUTXCDT-KRWDZBQOSA-N 1 0 383.448 3.340 20 5 GGBDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000194877521 1433254277 /nfs/dbraw/zinc/25/42/77/1433254277.db2.gz JYUKUYDBZZWYHJ-FQEVSTJZSA-N 1 0 391.468 3.143 20 5 GGBDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000194877507 1433254319 /nfs/dbraw/zinc/25/43/19/1433254319.db2.gz JYUKUYDBZZWYHJ-HXUWFJFHSA-N 1 0 391.468 3.143 20 5 GGBDRO COc1cccc(C(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000194903501 1433261231 /nfs/dbraw/zinc/26/12/31/1433261231.db2.gz JTOINVIEXTTZHJ-GOSISDBHSA-N 1 0 385.464 3.490 20 5 GGBDRO COc1ccccc1[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)[NH+]1CCCCC1 ZINC000195155270 1433300470 /nfs/dbraw/zinc/30/04/70/1433300470.db2.gz OLAYNDDZBVOUFJ-LJQANCHMSA-N 1 0 398.463 3.143 20 5 GGBDRO COc1ccc([C@H](CNc2c3c(ccc2[N+](=O)[O-])NCC3)[NH+](C)C)cc1OC ZINC000195174941 1433303080 /nfs/dbraw/zinc/30/30/80/1433303080.db2.gz OGWORCRPUSHOFO-KRWDZBQOSA-N 1 0 386.452 3.295 20 5 GGBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000195180004 1433303739 /nfs/dbraw/zinc/30/37/39/1433303739.db2.gz XBTBRZHYXRZVMP-UHFFFAOYSA-N 1 0 386.477 3.323 20 5 GGBDRO COc1cccc([C@@H](CNC(=O)c2cccc(OC)c2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000195321688 1433318889 /nfs/dbraw/zinc/31/88/89/1433318889.db2.gz IFNFUJWEBBLXIJ-GOSISDBHSA-N 1 0 399.447 3.179 20 5 GGBDRO COc1cccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000195336678 1433320264 /nfs/dbraw/zinc/32/02/64/1433320264.db2.gz CDTIXTZCUFOHDR-AWEZNQCLSA-N 1 0 375.450 3.232 20 5 GGBDRO COc1cccc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000195453003 1433331418 /nfs/dbraw/zinc/33/14/18/1433331418.db2.gz CJCRYXFRNHMBNS-UHFFFAOYSA-N 1 0 383.448 3.245 20 5 GGBDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccccc1O2 ZINC000195475800 1433334595 /nfs/dbraw/zinc/33/45/95/1433334595.db2.gz WYHQOSVLFKIKQR-KRWDZBQOSA-N 1 0 399.422 3.452 20 5 GGBDRO Cc1cccc(N2CC[NH+](CCCNC(=O)c3cc(C)cc([N+](=O)[O-])c3)CC2)c1 ZINC000195691879 1433344842 /nfs/dbraw/zinc/34/48/42/1433344842.db2.gz DURIQZBQXJXVQB-UHFFFAOYSA-N 1 0 396.491 3.154 20 5 GGBDRO Cc1cc(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc([N+](=O)[O-])c1 ZINC000195694068 1433344982 /nfs/dbraw/zinc/34/49/82/1433344982.db2.gz BILGSYQHMLHVMK-IAGOWNOFSA-N 1 0 397.475 3.442 20 5 GGBDRO Cc1cc(C(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000195694025 1433345081 /nfs/dbraw/zinc/34/50/81/1433345081.db2.gz MAGLVXBIOBSGDZ-OAQYLSRUSA-N 1 0 396.491 3.012 20 5 GGBDRO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000198116040 1433347479 /nfs/dbraw/zinc/34/74/79/1433347479.db2.gz HQNZKDPNAQQFBS-FQEVSTJZSA-N 1 0 385.464 3.345 20 5 GGBDRO CC(C)Oc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000236788959 1433378918 /nfs/dbraw/zinc/37/89/18/1433378918.db2.gz WBKOKBYGSQUIAY-UHFFFAOYSA-N 1 0 381.436 3.467 20 5 GGBDRO CCCN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CC[NH2+]CC1 ZINC000236807713 1433379319 /nfs/dbraw/zinc/37/93/19/1433379319.db2.gz VKAYJYPUSSNFGE-UHFFFAOYSA-N 1 0 377.488 3.145 20 5 GGBDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000237012813 1433385614 /nfs/dbraw/zinc/38/56/14/1433385614.db2.gz XNJNPLXYNQHCQP-HNNXBMFYSA-N 1 0 391.493 3.476 20 5 GGBDRO C[NH2+]CC1CCN(C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000237082059 1433388365 /nfs/dbraw/zinc/38/83/65/1433388365.db2.gz VNPHKQINCWZTJR-HZPDHXFCSA-N 1 0 388.512 3.149 20 5 GGBDRO C[NH2+]Cc1ccccc1NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000237131956 1433390298 /nfs/dbraw/zinc/39/02/98/1433390298.db2.gz PZHLYWYRCCISJX-UHFFFAOYSA-N 1 0 375.450 3.195 20 5 GGBDRO COc1cc(C[NH2+]CCOc2cccc(Br)c2)c([N+](=O)[O-])cc1O ZINC000237183217 1433391727 /nfs/dbraw/zinc/39/17/27/1433391727.db2.gz KKXSPMIIAUUSOS-UHFFFAOYSA-N 1 0 397.225 3.240 20 5 GGBDRO COc1cc(C[NH2+]CCOc2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1O ZINC000237185279 1433392068 /nfs/dbraw/zinc/39/20/68/1433392068.db2.gz WZRQDHZDNYTFFB-UHFFFAOYSA-N 1 0 386.326 3.496 20 5 GGBDRO COc1cc(C[NH2+]CCn2cccn2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237208319 1433392663 /nfs/dbraw/zinc/39/26/63/1433392663.db2.gz CIGROQLPCPYXOC-UHFFFAOYSA-N 1 0 382.420 3.169 20 5 GGBDRO COc1cc(C[NH2+]C[C@@H]2CCCN2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237242860 1433393856 /nfs/dbraw/zinc/39/38/56/1433393856.db2.gz DYBWWTXCBIOSFW-IBGZPJMESA-N 1 0 385.464 3.366 20 5 GGBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000237256387 1433394451 /nfs/dbraw/zinc/39/44/51/1433394451.db2.gz OHANLQQDIMZPED-CVEARBPZSA-N 1 0 397.479 3.235 20 5 GGBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000237266496 1433394944 /nfs/dbraw/zinc/39/49/44/1433394944.db2.gz MXEWTQGTNCQGTE-CYBMUJFWSA-N 1 0 392.506 3.335 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)N2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000237372840 1433399656 /nfs/dbraw/zinc/39/96/56/1433399656.db2.gz FNELLCJYQITJBJ-GDBMZVCRSA-N 1 0 383.452 3.116 20 5 GGBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000237381233 1433399917 /nfs/dbraw/zinc/39/99/17/1433399917.db2.gz WWXBTSLJIAPILI-HPFXQQBRSA-N 1 0 388.512 3.419 20 5 GGBDRO COc1ccc(-c2ccc(C[NH2+]CCC(=O)N3CCCCC3)o2)c([N+](=O)[O-])c1 ZINC000237425448 1433402303 /nfs/dbraw/zinc/40/23/03/1433402303.db2.gz KUQWNVSGOCQJKR-UHFFFAOYSA-N 1 0 387.436 3.356 20 5 GGBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000237426120 1433402460 /nfs/dbraw/zinc/40/24/60/1433402460.db2.gz AKFJCDLMENVZRJ-NXEZZACHSA-N 1 0 398.250 3.039 20 5 GGBDRO COc1ccc(-c2ccc(C[NH2+]CCc3cccc(C(N)=O)c3)o2)c([N+](=O)[O-])c1 ZINC000237427979 1433402545 /nfs/dbraw/zinc/40/25/45/1433402545.db2.gz OBOQIECHNJMERC-UHFFFAOYSA-N 1 0 395.415 3.295 20 5 GGBDRO C[C@@H](CN1CCOCC1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237507727 1433406948 /nfs/dbraw/zinc/40/69/48/1433406948.db2.gz RSBJNAIQZAFKNW-ZDUSSCGKSA-N 1 0 379.844 3.319 20 5 GGBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000237527703 1433408237 /nfs/dbraw/zinc/40/82/37/1433408237.db2.gz AKFJCDLMENVZRJ-UWVGGRQHSA-N 1 0 398.250 3.039 20 5 GGBDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000237548886 1433408773 /nfs/dbraw/zinc/40/87/73/1433408773.db2.gz IGUSIAOZGCRMMG-IYBDPMFKSA-N 1 0 383.448 3.134 20 5 GGBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000237630273 1433413493 /nfs/dbraw/zinc/41/34/93/1433413493.db2.gz OEKUOENCZSIDNF-LBPRGKRZSA-N 1 0 381.860 3.006 20 5 GGBDRO Cn1cc(C[NH2+]Cc2ccc(-n3cccn3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237778683 1433423148 /nfs/dbraw/zinc/42/31/48/1433423148.db2.gz PUYOGOHSENGURO-UHFFFAOYSA-N 1 0 388.431 3.471 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCN3CCOCC3)o2)c(Cl)c1 ZINC000237815035 1433425642 /nfs/dbraw/zinc/42/56/42/1433425642.db2.gz GQWQSAZNIHWBII-UHFFFAOYSA-N 1 0 379.844 3.320 20 5 GGBDRO O=C(N[C@H]1CCC[NH2+]C1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000237884914 1433431426 /nfs/dbraw/zinc/43/14/26/1433431426.db2.gz BIYAHMWRZOUZMF-HNNXBMFYSA-N 1 0 388.855 3.342 20 5 GGBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000237893010 1433431781 /nfs/dbraw/zinc/43/17/81/1433431781.db2.gz GCXILWHNLJTFRX-ROUUACIJSA-N 1 0 382.464 3.454 20 5 GGBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC([NH2+]CC2CC2)CC1 ZINC000237899906 1433432948 /nfs/dbraw/zinc/43/29/48/1433432948.db2.gz YYPHSZYBTKXNGT-UHFFFAOYSA-N 1 0 386.477 3.323 20 5 GGBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000237910767 1433433670 /nfs/dbraw/zinc/43/36/70/1433433670.db2.gz CYOJGWJIUREPBZ-WCQYABFASA-N 1 0 388.390 3.049 20 5 GGBDRO [NH3+]C[C@H](NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000237920260 1433434460 /nfs/dbraw/zinc/43/44/60/1433434460.db2.gz MIJSZIHCQORKAJ-KRWDZBQOSA-N 1 0 388.855 3.327 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCn2cccn2)cc1 ZINC000237999692 1433438783 /nfs/dbraw/zinc/43/87/83/1433438783.db2.gz POQLVDKSBGZLRN-UHFFFAOYSA-N 1 0 388.431 3.434 20 5 GGBDRO O=C(CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)NCc1cccnc1 ZINC000238046458 1433440664 /nfs/dbraw/zinc/44/06/64/1433440664.db2.gz AEFCCIKWQCNRGI-UHFFFAOYSA-N 1 0 380.404 3.046 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H](O)C[NH+]3CCCC3)o2)c(Cl)c1 ZINC000238065303 1433441522 /nfs/dbraw/zinc/44/15/22/1433441522.db2.gz DGZICNGKAQSUDS-AWEZNQCLSA-N 1 0 379.844 3.055 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC2(O)CCC2)cc1 ZINC000238157654 1433444678 /nfs/dbraw/zinc/44/46/78/1433444678.db2.gz STQFTHMYBWACHV-UHFFFAOYSA-N 1 0 378.432 3.452 20 5 GGBDRO CC[NH+](CC)C[C@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000245455312 1433470987 /nfs/dbraw/zinc/47/09/87/1433470987.db2.gz SKTRKPFYLDQEGK-ZIAGYGMSSA-N 1 0 382.892 3.239 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000245458147 1433471993 /nfs/dbraw/zinc/47/19/93/1433471993.db2.gz CNTCJJVEIUXSBK-LOKFHWFJSA-N 1 0 389.477 3.272 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000245675561 1433498018 /nfs/dbraw/zinc/49/80/18/1433498018.db2.gz KZJBLFUBCFGUFJ-GJZGRUSLSA-N 1 0 395.525 3.184 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000245679481 1433498346 /nfs/dbraw/zinc/49/83/46/1433498346.db2.gz MEEMGNUJLJUHAU-HUUCEWRRSA-N 1 0 395.525 3.184 20 5 GGBDRO CN1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245702965 1433502467 /nfs/dbraw/zinc/50/24/67/1433502467.db2.gz NPPODXSCPIOPMJ-BDJLRTHQSA-N 1 0 381.791 3.403 20 5 GGBDRO CN(C(=O)c1csc([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245756004 1433512548 /nfs/dbraw/zinc/51/25/48/1433512548.db2.gz YLZZOMVEMZIXRI-IAGOWNOFSA-N 1 0 394.541 3.066 20 5 GGBDRO Cc1c(NC(=O)CC[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000245831569 1433523392 /nfs/dbraw/zinc/52/33/92/1433523392.db2.gz GKKYLABUQDVLJH-JKSUJKDBSA-N 1 0 393.509 3.218 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000245913691 1433541306 /nfs/dbraw/zinc/54/13/06/1433541306.db2.gz RPSDIXLSBSFHOD-IRXDYDNUSA-N 1 0 393.509 3.218 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000245998963 1433555785 /nfs/dbraw/zinc/55/57/85/1433555785.db2.gz XZLZNEARUORUGE-IRXDYDNUSA-N 1 0 393.509 3.218 20 5 GGBDRO COc1ccc([C@@H]2CC[N@@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)cc1 ZINC000246018440 1433558281 /nfs/dbraw/zinc/55/82/81/1433558281.db2.gz KJJHHYVHWIVHOL-UZLBHIALSA-N 1 0 381.432 3.198 20 5 GGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000246198046 1433580820 /nfs/dbraw/zinc/58/08/20/1433580820.db2.gz VHZHPIUBPNCCKC-MSOLQXFVSA-N 1 0 388.512 3.366 20 5 GGBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000246256954 1433587051 /nfs/dbraw/zinc/58/70/51/1433587051.db2.gz KLLRJNSRSFJSTA-QFBILLFUSA-N 1 0 386.496 3.141 20 5 GGBDRO Cc1c(NC(=O)CCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000246281541 1433589507 /nfs/dbraw/zinc/58/95/07/1433589507.db2.gz AYLSQYCDAFCMCR-JXFKEZNVSA-N 1 0 386.496 3.181 20 5 GGBDRO Cn1cc(CN2CC[N@H+](C)C[C@H]2c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000246290026 1433590642 /nfs/dbraw/zinc/59/06/42/1433590642.db2.gz OUCWJBXBDVFILP-NRFANRHFSA-N 1 0 391.475 3.484 20 5 GGBDRO CCCCCCNC(=O)[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246329731 1433595918 /nfs/dbraw/zinc/59/59/18/1433595918.db2.gz SQLOYXYPHSIMSC-PKOBYXMFSA-N 1 0 377.485 3.037 20 5 GGBDRO COc1ccccc1C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000246368792 1433602073 /nfs/dbraw/zinc/60/20/73/1433602073.db2.gz YDSFJLPYPDKWKZ-VQTJNVASSA-N 1 0 386.448 3.318 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000246391775 1433605722 /nfs/dbraw/zinc/60/57/22/1433605722.db2.gz SNCHGJPYICDTJS-DOTOQJQBSA-N 1 0 392.500 3.470 20 5 GGBDRO CCc1nc(C)c([C@@H](C)[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000246524571 1433625516 /nfs/dbraw/zinc/62/55/16/1433625516.db2.gz BYYGHRIKRNRLRX-UKRRQHHQSA-N 1 0 379.482 3.355 20 5 GGBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000246535468 1433626640 /nfs/dbraw/zinc/62/66/40/1433626640.db2.gz JOSJGTVTQDXKFQ-TWOQFEAHSA-N 1 0 386.496 3.179 20 5 GGBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000246590854 1433636346 /nfs/dbraw/zinc/63/63/46/1433636346.db2.gz IMHHUXNLSWYODA-WMLDXEAASA-N 1 0 386.477 3.275 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246688516 1433650173 /nfs/dbraw/zinc/65/01/73/1433650173.db2.gz CWIFBTIQEPDIBV-BBRMVZONSA-N 1 0 383.876 3.115 20 5 GGBDRO CO[C@@H]1CC[C@H]2OCC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)[C@H]2C1 ZINC000246737956 1433657985 /nfs/dbraw/zinc/65/79/85/1433657985.db2.gz ODBMIAQUXYWRET-FGTMMUONSA-N 1 0 387.436 3.061 20 5 GGBDRO CCCN(C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000246741728 1433658667 /nfs/dbraw/zinc/65/86/67/1433658667.db2.gz GWBKZDRQXAKBOD-JFIYKMOQSA-N 1 0 388.512 3.291 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246752132 1433660558 /nfs/dbraw/zinc/66/05/58/1433660558.db2.gz JLFBYTMWEZCTKB-ZFWWWQNUSA-N 1 0 383.876 3.115 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000246768850 1433663126 /nfs/dbraw/zinc/66/31/26/1433663126.db2.gz UTFQUYWJQJIOME-KBXCAEBGSA-N 1 0 397.903 3.044 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C1 ZINC000246909955 1433686183 /nfs/dbraw/zinc/68/61/83/1433686183.db2.gz VSZBXVLYUKIAFS-GUYCJALGSA-N 1 0 383.876 3.115 20 5 GGBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC[C@H]3CCC[N@H+](C)C3)cc2[N+](=O)[O-])C1 ZINC000247235786 1433694720 /nfs/dbraw/zinc/69/47/20/1433694720.db2.gz UQXPNZCXOWQQGA-IXDOHACOSA-N 1 0 388.512 3.149 20 5 GGBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000247328743 1433707788 /nfs/dbraw/zinc/70/77/88/1433707788.db2.gz IZGKHWLADHHLID-YPGOJHLTSA-N 1 0 397.475 3.246 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247336886 1433708975 /nfs/dbraw/zinc/70/89/75/1433708975.db2.gz YUKHRPUFFSVDLM-BXWFABGCSA-N 1 0 392.500 3.092 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000247336912 1433708990 /nfs/dbraw/zinc/70/89/90/1433708990.db2.gz YUKHRPUFFSVDLM-MDZRGWNJSA-N 1 0 392.500 3.092 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247339303 1433709717 /nfs/dbraw/zinc/70/97/17/1433709717.db2.gz ZCEZBKVZSQJWKM-RDJZCZTQSA-N 1 0 378.473 3.162 20 5 GGBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)[C@H]3CCC[N@H+](C)C3)cc2[N+](=O)[O-])C1 ZINC000247356317 1433712801 /nfs/dbraw/zinc/71/28/01/1433712801.db2.gz JXVKBGOUONZAMG-NUJGCVRESA-N 1 0 388.512 3.243 20 5 GGBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000247359268 1433712885 /nfs/dbraw/zinc/71/28/85/1433712885.db2.gz YXYOHKGLGZMANW-UHFFFAOYSA-N 1 0 375.469 3.279 20 5 GGBDRO Cc1nc2c(s1)[C@H]([N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC000247414022 1433719519 /nfs/dbraw/zinc/71/95/19/1433719519.db2.gz CSWQRZHCTSQXKN-RHSMWYFYSA-N 1 0 377.466 3.109 20 5 GGBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000247615569 1433740163 /nfs/dbraw/zinc/74/01/63/1433740163.db2.gz SOZYQINMGXSADE-QVDMIQRCSA-N 1 0 382.464 3.063 20 5 GGBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000247633599 1433741410 /nfs/dbraw/zinc/74/14/10/1433741410.db2.gz UYQPWVHREFJYGP-YPGOJHLTSA-N 1 0 397.475 3.246 20 5 GGBDRO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000247709996 1433747676 /nfs/dbraw/zinc/74/76/76/1433747676.db2.gz ZYGOHOBMFVCTKC-PXAZEXFGSA-N 1 0 398.385 3.397 20 5 GGBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000247856788 1433753592 /nfs/dbraw/zinc/75/35/92/1433753592.db2.gz XVAMOXIQZHNPMG-UHFFFAOYSA-N 1 0 388.512 3.437 20 5 GGBDRO CCC[NH+]1CCC(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000248001902 1433762488 /nfs/dbraw/zinc/76/24/88/1433762488.db2.gz NYQCNIITSYXBSK-UHFFFAOYSA-N 1 0 377.488 3.145 20 5 GGBDRO CCc1nc2c(s1)[C@@H]([N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC000248197651 1433779619 /nfs/dbraw/zinc/77/96/19/1433779619.db2.gz LYCHQLJDDNAEKZ-PBHICJAKSA-N 1 0 391.493 3.363 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000248373967 1433789137 /nfs/dbraw/zinc/78/91/37/1433789137.db2.gz MWHXDWKPTOTUMX-HZPDHXFCSA-N 1 0 392.477 3.077 20 5 GGBDRO CCc1nc(C)c([C@@H](C)[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000248439183 1433802894 /nfs/dbraw/zinc/80/28/94/1433802894.db2.gz CFZIDWHFRWPEKV-ZIAGYGMSSA-N 1 0 379.482 3.355 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000248455746 1433804006 /nfs/dbraw/zinc/80/40/06/1433804006.db2.gz LCDLSAQBMVMAJG-QRQLOZEOSA-N 1 0 386.448 3.092 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000248455749 1433804119 /nfs/dbraw/zinc/80/41/19/1433804119.db2.gz LCDLSAQBMVMAJG-QXAKKESOSA-N 1 0 386.448 3.092 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000248455743 1433804123 /nfs/dbraw/zinc/80/41/23/1433804123.db2.gz LCDLSAQBMVMAJG-BHIYHBOVSA-N 1 0 386.448 3.092 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000248468721 1433805349 /nfs/dbraw/zinc/80/53/49/1433805349.db2.gz UGLUEVAZAAFCSO-IAGOWNOFSA-N 1 0 388.489 3.449 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000248564059 1433808600 /nfs/dbraw/zinc/80/86/00/1433808600.db2.gz HTMGHRURHWZQAC-DOTOQJQBSA-N 1 0 378.473 3.162 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000248591444 1433810075 /nfs/dbraw/zinc/81/00/75/1433810075.db2.gz HFTYKAXEGNRMKM-AGRHKRQWSA-N 1 0 397.431 3.205 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000248612867 1433811401 /nfs/dbraw/zinc/81/14/01/1433811401.db2.gz YCFGNFRABQJURG-KHYOSLBOSA-N 1 0 395.475 3.091 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000248612863 1433811406 /nfs/dbraw/zinc/81/14/06/1433811406.db2.gz YCFGNFRABQJURG-CLCXKQKWSA-N 1 0 395.475 3.091 20 5 GGBDRO Cc1c(NC(=O)[C@H](C)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000248614722 1433811639 /nfs/dbraw/zinc/81/16/39/1433811639.db2.gz YPINAUVXJACSLP-IKGGRYGDSA-N 1 0 388.512 3.473 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)[C@@H](C)C1 ZINC000248635748 1433812877 /nfs/dbraw/zinc/81/28/77/1433812877.db2.gz KFTZXCWGWVRGOO-IRXDYDNUSA-N 1 0 392.500 3.470 20 5 GGBDRO CCOC(=O)[C@]1(C(C)C)CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000248734873 1433818514 /nfs/dbraw/zinc/81/85/14/1433818514.db2.gz MRTYPXHIRRUAKJ-FOIQADDNSA-N 1 0 391.468 3.141 20 5 GGBDRO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000248734877 1433818528 /nfs/dbraw/zinc/81/85/28/1433818528.db2.gz MRTYPXHIRRUAKJ-QRWLVFNGSA-N 1 0 391.468 3.141 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000248917238 1433829502 /nfs/dbraw/zinc/82/95/02/1433829502.db2.gz WFLKUNMDTOCCLN-AUUYWEPGSA-N 1 0 387.867 3.427 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000248916169 1433829540 /nfs/dbraw/zinc/82/95/40/1433829540.db2.gz WCCWTUDVLXQJJG-QFBILLFUSA-N 1 0 382.464 3.257 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000248958613 1433830593 /nfs/dbraw/zinc/83/05/93/1433830593.db2.gz FTKCASWKMIUHBL-MAUKXSAKSA-N 1 0 378.473 3.162 20 5 GGBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248963897 1433830985 /nfs/dbraw/zinc/83/09/85/1433830985.db2.gz GWAVNGCJXSZBOV-LAUBAEHRSA-N 1 0 394.475 3.304 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000248976591 1433831346 /nfs/dbraw/zinc/83/13/46/1433831346.db2.gz HUKDUGWUJRAYCS-KGLIPLIRSA-N 1 0 378.375 3.102 20 5 GGBDRO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000249021879 1433832434 /nfs/dbraw/zinc/83/24/34/1433832434.db2.gz KXVNPTCWQYCVJR-NBHSMZAVSA-N 1 0 391.374 3.320 20 5 GGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[C@H](O)CN1Cc1ccccc1)CCC2 ZINC000249058483 1433833406 /nfs/dbraw/zinc/83/34/06/1433833406.db2.gz ZJXHBGKDASIBIE-JAXLGGSGSA-N 1 0 381.476 3.197 20 5 GGBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)c1 ZINC000249264155 1433839824 /nfs/dbraw/zinc/83/98/24/1433839824.db2.gz IIDXOTTZCRXIRW-KMFMINBZSA-N 1 0 398.385 3.097 20 5 GGBDRO C[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[N@@H+]1CCC[C@H](C)C1 ZINC000252107056 1433862649 /nfs/dbraw/zinc/86/26/49/1433862649.db2.gz HDOXYJVTSFWKGJ-ZWKOTPCHSA-N 1 0 391.515 3.391 20 5 GGBDRO CC(C)OCCCNC(=O)C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255376110 1433881780 /nfs/dbraw/zinc/88/17/80/1433881780.db2.gz IOFOYRPGWHQZHP-YVMONPNESA-N 1 0 389.496 3.251 20 5 GGBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000255642934 1433887293 /nfs/dbraw/zinc/88/72/93/1433887293.db2.gz TZPJXNCNDPDFBL-XGICHPGQSA-N 1 0 382.420 3.137 20 5 GGBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCC(C)(C)C[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000255944705 1433892348 /nfs/dbraw/zinc/89/23/48/1433892348.db2.gz RTQWHKHFVNWHQH-IYBDPMFKSA-N 1 0 390.528 3.395 20 5 GGBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000261442575 1433896197 /nfs/dbraw/zinc/89/61/97/1433896197.db2.gz YSFBZFLCGRKBCR-OAGGEKHMSA-N 1 0 376.501 3.147 20 5 GGBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000261442579 1433896270 /nfs/dbraw/zinc/89/62/70/1433896270.db2.gz YSFBZFLCGRKBCR-XHSDSOJGSA-N 1 0 376.501 3.147 20 5 GGBDRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000261442573 1433896273 /nfs/dbraw/zinc/89/62/73/1433896273.db2.gz YSFBZFLCGRKBCR-BZUAXINKSA-N 1 0 376.501 3.147 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000261636062 1433897890 /nfs/dbraw/zinc/89/78/90/1433897890.db2.gz FIHJCHCAHQZXEE-LJQANCHMSA-N 1 0 386.427 3.017 20 5 GGBDRO COc1cc(CN2CC[C@](C)(C[NH3+])C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000261718481 1433899899 /nfs/dbraw/zinc/89/98/99/1433899899.db2.gz JECMWPNIGQWWGS-OAQYLSRUSA-N 1 0 385.464 3.353 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)cc1SC ZINC000261754736 1433901495 /nfs/dbraw/zinc/90/14/95/1433901495.db2.gz PQZCZALXZBHFBO-UHFFFAOYSA-N 1 0 391.424 3.362 20 5 GGBDRO O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261769324 1433902904 /nfs/dbraw/zinc/90/29/04/1433902904.db2.gz KHOBZQAECQIZGF-UHFFFAOYSA-N 1 0 394.475 3.423 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000261773966 1433903066 /nfs/dbraw/zinc/90/30/66/1433903066.db2.gz PAOHWFGYZFUIBL-SFHVURJKSA-N 1 0 388.855 3.142 20 5 GGBDRO [NH3+][C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261866781 1433908253 /nfs/dbraw/zinc/90/82/53/1433908253.db2.gz WXRRYPGCEXLKJO-LSDHHAIUSA-N 1 0 379.338 3.181 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CC[NH2+]C[C@@H]3c3cccc(Cl)c3)n2)c1 ZINC000261919254 1433912438 /nfs/dbraw/zinc/91/24/38/1433912438.db2.gz YLHXIKVIQBSCJL-QGZVFWFLSA-N 1 0 399.838 3.445 20 5 GGBDRO COc1ccc(CN2CC[C@]3(CC[NH2+]C3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000261944161 1433914666 /nfs/dbraw/zinc/91/46/66/1433914666.db2.gz FCPPPLQTGJTWKE-QFIPXVFZSA-N 1 0 397.475 3.368 20 5 GGBDRO C[C@H]1CN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH3+] ZINC000261960351 1433916340 /nfs/dbraw/zinc/91/63/40/1433916340.db2.gz HGRJGVFXLBUFFR-MGPUTAFESA-N 1 0 377.448 3.227 20 5 GGBDRO COCC1(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC[NH2+]CC1 ZINC000262033340 1433923636 /nfs/dbraw/zinc/92/36/36/1433923636.db2.gz OGFGNXCIXANTGM-UHFFFAOYSA-N 1 0 399.447 3.133 20 5 GGBDRO C[NH2+]CCC1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000262151252 1433928762 /nfs/dbraw/zinc/92/87/62/1433928762.db2.gz YYHMIDAJGREPAA-UHFFFAOYSA-N 1 0 377.488 3.003 20 5 GGBDRO Cc1c(NC(=O)CCN2CC[NH2+]C[C@@H]2c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000262157941 1433928772 /nfs/dbraw/zinc/92/87/72/1433928772.db2.gz GOYIRRUFEBNTPS-LJQANCHMSA-N 1 0 386.427 3.017 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000262205242 1433930813 /nfs/dbraw/zinc/93/08/13/1433930813.db2.gz KYDJHDOVPAJTNE-SFHVURJKSA-N 1 0 388.855 3.142 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000262205241 1433930875 /nfs/dbraw/zinc/93/08/75/1433930875.db2.gz KYDJHDOVPAJTNE-GOSISDBHSA-N 1 0 388.855 3.142 20 5 GGBDRO [NH3+]CCCN(Cc1ccccc1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000262476238 1433940414 /nfs/dbraw/zinc/94/04/14/1433940414.db2.gz QDQLKBCORJSMKQ-UHFFFAOYSA-N 1 0 391.855 3.395 20 5 GGBDRO CC(C)(C[NH3+])NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000262536186 1433942552 /nfs/dbraw/zinc/94/25/52/1433942552.db2.gz AYXKLUHLBIJIRR-UHFFFAOYSA-N 1 0 376.844 3.327 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCC[C@H]2CC[NH2+]C2)cc1 ZINC000262580045 1433944364 /nfs/dbraw/zinc/94/43/64/1433944364.db2.gz NLJGOVQIGINEHB-CQSZACIVSA-N 1 0 385.420 3.125 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)NC2(C[NH3+])CCCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000262586085 1433944702 /nfs/dbraw/zinc/94/47/02/1433944702.db2.gz VPNNPXCWKONXLF-CQSZACIVSA-N 1 0 383.452 3.164 20 5 GGBDRO CCC(CC)(C[NH3+])NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000262594563 1433945251 /nfs/dbraw/zinc/94/52/51/1433945251.db2.gz HETKDQRDFROTMI-AWEZNQCLSA-N 1 0 385.468 3.410 20 5 GGBDRO CCCC[C@@H](C[NH3+])NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000262593685 1433945429 /nfs/dbraw/zinc/94/54/29/1433945429.db2.gz HGOYPJZQCSEUMP-ZBFHGGJFSA-N 1 0 385.468 3.410 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-])c1ccccn1 ZINC000262626815 1433946863 /nfs/dbraw/zinc/94/68/63/1433946863.db2.gz KWSMLTZHNRTEHC-OIISXLGYSA-N 1 0 395.463 3.129 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N3CC[NH2+][C@H](C)[C@@H]3C)cc2[N+](=O)[O-])n1 ZINC000262691789 1433950281 /nfs/dbraw/zinc/95/02/81/1433950281.db2.gz AAANGWBCYJQCSV-NEPJUHHUSA-N 1 0 392.506 3.333 20 5 GGBDRO O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000262871868 1433963031 /nfs/dbraw/zinc/96/30/31/1433963031.db2.gz DBMYYZQSPRGUSW-SFHVURJKSA-N 1 0 385.489 3.370 20 5 GGBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262896633 1433965094 /nfs/dbraw/zinc/96/50/94/1433965094.db2.gz HPHDXNXTUZGCKI-GOSISDBHSA-N 1 0 385.489 3.370 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000262906043 1433965554 /nfs/dbraw/zinc/96/55/54/1433965554.db2.gz QERRNRPYACAHBK-IIAWOOMASA-N 1 0 383.452 3.033 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000262906045 1433965665 /nfs/dbraw/zinc/96/56/65/1433965665.db2.gz QERRNRPYACAHBK-IJEWVQPXSA-N 1 0 383.452 3.033 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N[C@H]3CC[NH2+][C@H](C)C3)cc2[N+](=O)[O-])n1 ZINC000262912665 1433966448 /nfs/dbraw/zinc/96/64/48/1433966448.db2.gz QVHCBLMBWJARHM-MFKMUULPSA-N 1 0 392.506 3.381 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000262939019 1433968753 /nfs/dbraw/zinc/96/87/53/1433968753.db2.gz UIWUUEBEKMOZQP-UONOGXRCSA-N 1 0 385.420 3.266 20 5 GGBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc2c(c1)OCCO2 ZINC000263666589 1434017546 /nfs/dbraw/zinc/01/75/46/1434017546.db2.gz IVKKGDABIJNUBI-QGZVFWFLSA-N 1 0 386.404 3.473 20 5 GGBDRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)C[C@H](C)O1 ZINC000263774645 1434032164 /nfs/dbraw/zinc/03/21/64/1434032164.db2.gz MRHLLCQPMKCKDZ-OKILXGFUSA-N 1 0 395.887 3.210 20 5 GGBDRO CC[NH+]1CCC(n2nccc2NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000263872544 1434043934 /nfs/dbraw/zinc/04/39/34/1434043934.db2.gz ITSNWRMLVRYSRG-UHFFFAOYSA-N 1 0 383.408 3.447 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000263883529 1434045453 /nfs/dbraw/zinc/04/54/53/1434045453.db2.gz NOAVHGYRUVBLSD-UHFFFAOYSA-N 1 0 391.468 3.286 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(CC[NH+](C)C)cc2)cc1OC ZINC000263973943 1434056041 /nfs/dbraw/zinc/05/60/41/1434056041.db2.gz YIDNEAOIFKKOJA-UHFFFAOYSA-N 1 0 387.436 3.359 20 5 GGBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)CC(=O)N3C)cccc1[N+](=O)[O-] ZINC000263986266 1434057737 /nfs/dbraw/zinc/05/77/37/1434057737.db2.gz ICWZLMMGORSLSL-ZIAGYGMSSA-N 1 0 396.447 3.100 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1SC ZINC000264127799 1434073871 /nfs/dbraw/zinc/07/38/71/1434073871.db2.gz KJEAVKRKZNJBAQ-ZDUSSCGKSA-N 1 0 381.498 3.177 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC[N@H+](C)Cc2ccccc2)cc1SC ZINC000264136826 1434074883 /nfs/dbraw/zinc/07/48/83/1434074883.db2.gz LIYKANCPRCYCKK-UHFFFAOYSA-N 1 0 389.477 3.187 20 5 GGBDRO Cn1nccc1C1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000264154946 1434076401 /nfs/dbraw/zinc/07/64/01/1434076401.db2.gz DPAWYLAJDAWPFG-UHFFFAOYSA-N 1 0 381.436 3.405 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C3CCCC3)CC2)cc1SC ZINC000264230987 1434084914 /nfs/dbraw/zinc/08/49/14/1434084914.db2.gz XVOWTFJVHACJJD-UHFFFAOYSA-N 1 0 379.482 3.026 20 5 GGBDRO CC(=O)c1ccc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c([N+](=O)[O-])c1 ZINC000264270378 1434090395 /nfs/dbraw/zinc/09/03/95/1434090395.db2.gz NPPFKSISCBBHIF-UHFFFAOYSA-N 1 0 383.448 3.366 20 5 GGBDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000264270213 1434090491 /nfs/dbraw/zinc/09/04/91/1434090491.db2.gz NLVGEMIHZUXPQL-UHFFFAOYSA-N 1 0 389.477 3.184 20 5 GGBDRO O=C(COc1ccccc1[N+](=O)[O-])NCc1ccnc(N2CCCCCC2)c1 ZINC000264495130 1434120298 /nfs/dbraw/zinc/12/02/98/1434120298.db2.gz YCNNGXOLHVEEMD-UHFFFAOYSA-N 1 0 384.436 3.065 20 5 GGBDRO COc1cc(C[NH2+]CCOCC2CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000264506982 1434121690 /nfs/dbraw/zinc/12/16/90/1434121690.db2.gz RFSBOLFMLVIINU-UHFFFAOYSA-N 1 0 378.347 3.061 20 5 GGBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264586645 1434131278 /nfs/dbraw/zinc/13/12/78/1434131278.db2.gz KSDAROOKVUEQBV-SFHVURJKSA-N 1 0 389.499 3.242 20 5 GGBDRO CCOc1cc(NC(=O)N2CCC([NH2+]C(C)C)CC2)c([N+](=O)[O-])cc1OCC ZINC000264750918 1434151678 /nfs/dbraw/zinc/15/16/78/1434151678.db2.gz RMKTXTYISIMEGH-UHFFFAOYSA-N 1 0 394.472 3.387 20 5 GGBDRO CN(C)C(=O)C1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCC1 ZINC000264994743 1434172449 /nfs/dbraw/zinc/17/24/49/1434172449.db2.gz XXLDFCLYNSRLDK-UHFFFAOYSA-N 1 0 388.493 3.457 20 5 GGBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000264997145 1434172669 /nfs/dbraw/zinc/17/26/69/1434172669.db2.gz USNHPHXJRUUVEX-UHFFFAOYSA-N 1 0 383.448 3.210 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000265030571 1434176656 /nfs/dbraw/zinc/17/66/56/1434176656.db2.gz ZWIAHAIARJDFPU-UHFFFAOYSA-N 1 0 383.448 3.340 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000265078834 1434182512 /nfs/dbraw/zinc/18/25/12/1434182512.db2.gz QYLKTAVEOJJBIK-HZPDHXFCSA-N 1 0 395.525 3.089 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000265078831 1434182609 /nfs/dbraw/zinc/18/26/09/1434182609.db2.gz QYLKTAVEOJJBIK-HOTGVXAUSA-N 1 0 395.525 3.089 20 5 GGBDRO CN(C)C(=O)[C@H]1CCC[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000265180320 1434195116 /nfs/dbraw/zinc/19/51/16/1434195116.db2.gz MYZTVRRFPACBMS-LSDHHAIUSA-N 1 0 388.493 3.455 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000265211570 1434200050 /nfs/dbraw/zinc/20/00/50/1434200050.db2.gz RNNMGFFOPOQPHQ-CABCVRRESA-N 1 0 396.447 3.399 20 5 GGBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000265211571 1434200551 /nfs/dbraw/zinc/20/05/51/1434200551.db2.gz RNNMGFFOPOQPHQ-GJZGRUSLSA-N 1 0 396.447 3.399 20 5 GGBDRO O=[N+]([O-])c1ccc(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)c([N+](=O)[O-])c1 ZINC000265446774 1434235406 /nfs/dbraw/zinc/23/54/06/1434235406.db2.gz JTAYOYPNCLONSF-UHFFFAOYSA-N 1 0 390.425 3.048 20 5 GGBDRO Cn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1C1CC[NH2+]CC1 ZINC000265454853 1434236060 /nfs/dbraw/zinc/23/60/60/1434236060.db2.gz LNOROBSDZRKHTN-UHFFFAOYSA-N 1 0 387.387 3.360 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000265619859 1434250922 /nfs/dbraw/zinc/25/09/22/1434250922.db2.gz AULNQDIGDMHBSC-QGZVFWFLSA-N 1 0 394.431 3.000 20 5 GGBDRO Cc1c(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000265710919 1434259184 /nfs/dbraw/zinc/25/91/84/1434259184.db2.gz GYAGSRJVZVQPPK-UHFFFAOYSA-N 1 0 390.440 3.210 20 5 GGBDRO O=C(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000265732079 1434261049 /nfs/dbraw/zinc/26/10/49/1434261049.db2.gz BYJHUIDTCIOCDQ-UHFFFAOYSA-N 1 0 387.411 3.007 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000265777305 1434264456 /nfs/dbraw/zinc/26/44/56/1434264456.db2.gz OCLKHZMEICBMBX-QFBILLFUSA-N 1 0 391.512 3.126 20 5 GGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1)c1ccco1 ZINC000265944718 1434286598 /nfs/dbraw/zinc/28/65/98/1434286598.db2.gz KPSQTULLZZAOOK-HNNXBMFYSA-N 1 0 391.424 3.018 20 5 GGBDRO CCOc1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])cc1OCC ZINC000266786276 1434375447 /nfs/dbraw/zinc/37/54/47/1434375447.db2.gz XDYSIJPTPXZVNM-KGLIPLIRSA-N 1 0 392.456 3.093 20 5 GGBDRO CC[NH+](CC)CCSCC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266902798 1434387001 /nfs/dbraw/zinc/38/70/01/1434387001.db2.gz MALMNDBFSDOKPT-UHFFFAOYSA-N 1 0 395.525 3.040 20 5 GGBDRO CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000266907711 1434387421 /nfs/dbraw/zinc/38/74/21/1434387421.db2.gz VLQJZQNRUDELQO-INIZCTEOSA-N 1 0 382.464 3.114 20 5 GGBDRO CS(=O)(=O)c1ccc(NC2CC[NH+](C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000267012301 1434398964 /nfs/dbraw/zinc/39/89/64/1434398964.db2.gz IDORKUKAXVANJT-UHFFFAOYSA-N 1 0 381.498 3.207 20 5 GGBDRO Cc1c(NC(=O)C(=O)NCCCCCCC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000267421110 1434431180 /nfs/dbraw/zinc/43/11/80/1434431180.db2.gz SOXXXAGBACKPDA-UHFFFAOYSA-N 1 0 390.484 3.004 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@H](C)C1 ZINC000267442415 1434433712 /nfs/dbraw/zinc/43/37/12/1434433712.db2.gz CIUYJZURIFGLMS-CZUORRHYSA-N 1 0 383.876 3.115 20 5 GGBDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000267682184 1434455147 /nfs/dbraw/zinc/45/51/47/1434455147.db2.gz BYGYIAZHWGRQJP-UHFFFAOYSA-N 1 0 391.390 3.340 20 5 GGBDRO Cc1ccc([C@H](C)NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000267731879 1434459314 /nfs/dbraw/zinc/45/93/14/1434459314.db2.gz NFEPLGKZEZXZIT-INIZCTEOSA-N 1 0 397.479 3.323 20 5 GGBDRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)Cn2cc([N+](=O)[O-])nc2C)c1 ZINC000267993813 1434484962 /nfs/dbraw/zinc/48/49/62/1434484962.db2.gz BGSITHJEEWNLML-UHFFFAOYSA-N 1 0 387.484 3.038 20 5 GGBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000268123521 1434496356 /nfs/dbraw/zinc/49/63/56/1434496356.db2.gz BRLOXLCKZTUWOB-UHFFFAOYSA-N 1 0 383.423 3.397 20 5 GGBDRO Cc1nc2sccn2c1C[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000268236919 1434504151 /nfs/dbraw/zinc/50/41/51/1434504151.db2.gz MFLKRJSRLBKPNF-UHFFFAOYSA-N 1 0 387.465 3.381 20 5 GGBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2nc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000268386484 1434517737 /nfs/dbraw/zinc/51/77/37/1434517737.db2.gz YBNJJJVTPMZCAA-UHFFFAOYSA-N 1 0 384.392 3.205 20 5 GGBDRO Cc1nnc([C@@H]2CCC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)[nH]1 ZINC000268495843 1434527518 /nfs/dbraw/zinc/52/75/18/1434527518.db2.gz RAPUONAARLERCR-OAHLLOKOSA-N 1 0 382.424 3.098 20 5 GGBDRO Cc1nnc([C@H]2CCC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)[nH]1 ZINC000268495839 1434527543 /nfs/dbraw/zinc/52/75/43/1434527543.db2.gz RAPUONAARLERCR-HNNXBMFYSA-N 1 0 382.424 3.098 20 5 GGBDRO COc1cc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)ccc1OCCO ZINC000268798420 1434558302 /nfs/dbraw/zinc/55/83/02/1434558302.db2.gz PCGCILUVCDQFIC-SFHVURJKSA-N 1 0 386.448 3.085 20 5 GGBDRO CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000268815292 1434560590 /nfs/dbraw/zinc/56/05/90/1434560590.db2.gz IFIRDWPKYQXGAY-KRWDZBQOSA-N 1 0 396.491 3.423 20 5 GGBDRO CS(=O)(=O)Nc1ccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000268857951 1434565046 /nfs/dbraw/zinc/56/50/46/1434565046.db2.gz VABVKWHAZWBDAB-SFHVURJKSA-N 1 0 389.477 3.077 20 5 GGBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268894312 1434568564 /nfs/dbraw/zinc/56/85/64/1434568564.db2.gz BGMGHXLOJKKRHS-GFCCVEGCSA-N 1 0 384.404 3.484 20 5 GGBDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000268917878 1434571040 /nfs/dbraw/zinc/57/10/40/1434571040.db2.gz TVSORLDVGICCPF-QRWLVFNGSA-N 1 0 394.475 3.344 20 5 GGBDRO CC[C@@H]([NH2+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000268939460 1434573250 /nfs/dbraw/zinc/57/32/50/1434573250.db2.gz ZSUSFSJVRBNXDI-QUCCMNQESA-N 1 0 380.448 3.474 20 5 GGBDRO CC(C)(C(=O)NC1CC[NH+](Cc2cccnc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000269200410 1434606302 /nfs/dbraw/zinc/60/63/02/1434606302.db2.gz HNHLNGPHNNTCJL-UHFFFAOYSA-N 1 0 382.464 3.048 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000269243297 1434612911 /nfs/dbraw/zinc/61/29/11/1434612911.db2.gz DCZIKSKBLQVCER-YXJHDRRASA-N 1 0 397.479 3.410 20 5 GGBDRO CC(C)c1n[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000269335893 1434627037 /nfs/dbraw/zinc/62/70/37/1434627037.db2.gz BHQZPZGYJYVZOL-HOCLYGCPSA-N 1 0 385.468 3.224 20 5 GGBDRO COC(=O)c1ccccc1C(=O)c1ccc(NC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000269356187 1434630415 /nfs/dbraw/zinc/63/04/15/1434630415.db2.gz LLVVESASFUZKOH-UHFFFAOYSA-N 1 0 397.431 3.119 20 5 GGBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269364933 1434631408 /nfs/dbraw/zinc/63/14/08/1434631408.db2.gz KLUKMDJPXCGPBI-UHFFFAOYSA-N 1 0 385.468 3.144 20 5 GGBDRO O=C(c1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000269407413 1434640107 /nfs/dbraw/zinc/64/01/07/1434640107.db2.gz IBHGVUMSFZXJIE-OXJNMPFZSA-N 1 0 398.507 3.284 20 5 GGBDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)nc2)C1 ZINC000269452025 1434647923 /nfs/dbraw/zinc/64/79/23/1434647923.db2.gz TXHVRNYHGGJKMM-SFHVURJKSA-N 1 0 397.479 3.046 20 5 GGBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269472719 1434650919 /nfs/dbraw/zinc/65/09/19/1434650919.db2.gz JCFMLQCVWWHLHM-KRWDZBQOSA-N 1 0 399.495 3.426 20 5 GGBDRO O=[N+]([O-])c1cc(F)c(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)c(F)c1 ZINC000269622325 1434664263 /nfs/dbraw/zinc/66/42/63/1434664263.db2.gz IQSCIACQXZZWTJ-UHFFFAOYSA-N 1 0 381.408 3.418 20 5 GGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)c1 ZINC000269623120 1434664435 /nfs/dbraw/zinc/66/44/35/1434664435.db2.gz BNUGFFXCWVCKOK-LJQANCHMSA-N 1 0 393.447 3.293 20 5 GGBDRO Cc1c(CC(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)cccc1[N+](=O)[O-] ZINC000269642333 1434665980 /nfs/dbraw/zinc/66/59/80/1434665980.db2.gz RKEDXRJJGFRHQP-UHFFFAOYSA-N 1 0 393.487 3.495 20 5 GGBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000270040304 1434695522 /nfs/dbraw/zinc/69/55/22/1434695522.db2.gz AGIRBMPXZAWIFJ-ZBFHGGJFSA-N 1 0 377.510 3.266 20 5 GGBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)CC1 ZINC000270054502 1434697082 /nfs/dbraw/zinc/69/70/82/1434697082.db2.gz CYLVNSSKOWRTEC-CYBMUJFWSA-N 1 0 385.386 3.418 20 5 GGBDRO C[NH+]1CCC([C@H]2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)C2)CC1 ZINC000270097101 1434702802 /nfs/dbraw/zinc/70/28/02/1434702802.db2.gz IHMLYFJSTUAYFX-ZDUSSCGKSA-N 1 0 398.410 3.392 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1SC ZINC000270213842 1434713503 /nfs/dbraw/zinc/71/35/03/1434713503.db2.gz LQLKPVHESUDNJA-AWEZNQCLSA-N 1 0 393.509 3.129 20 5 GGBDRO CC(C)N1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)CC1 ZINC000270451028 1434734461 /nfs/dbraw/zinc/73/44/61/1434734461.db2.gz INCOXDKLOSEGJR-UHFFFAOYSA-N 1 0 398.454 3.191 20 5 GGBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCOC)C1 ZINC000270798393 1434776317 /nfs/dbraw/zinc/77/63/17/1434776317.db2.gz LNGBQAHVVHJREZ-HNNXBMFYSA-N 1 0 395.525 3.137 20 5 GGBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)nc2)cc1[N+](=O)[O-] ZINC000271024242 1434796785 /nfs/dbraw/zinc/79/67/85/1434796785.db2.gz AZJNOSXQLPPTKZ-OAHLLOKOSA-N 1 0 386.452 3.076 20 5 GGBDRO COc1cc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c(F)cc1[N+](=O)[O-] ZINC000271105428 1434802168 /nfs/dbraw/zinc/80/21/68/1434802168.db2.gz RLRAKPVIXZJDES-UHFFFAOYSA-N 1 0 389.427 3.311 20 5 GGBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2Cn2cncn2)cc1[N+](=O)[O-] ZINC000271111755 1434802585 /nfs/dbraw/zinc/80/25/85/1434802585.db2.gz HLLSHIAYLFQRNN-HNNXBMFYSA-N 1 0 381.436 3.484 20 5 GGBDRO CCOc1ccc([C@@H](C)NCC2([NH+]3CCCC3)CCOCC2)cc1[N+](=O)[O-] ZINC000271199052 1434807752 /nfs/dbraw/zinc/80/77/52/1434807752.db2.gz YYAGDHNIZRDVCJ-MRXNPFEDSA-N 1 0 377.485 3.289 20 5 GGBDRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000271411299 1434822810 /nfs/dbraw/zinc/82/28/10/1434822810.db2.gz AQDRYXQUFMEIOQ-AWEZNQCLSA-N 1 0 377.466 3.250 20 5 GGBDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000271446695 1434825442 /nfs/dbraw/zinc/82/54/42/1434825442.db2.gz UZWDZVGLZPPGCS-UHFFFAOYSA-N 1 0 379.420 3.118 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3COC4(CCCC4)O3)cs2)c1 ZINC000271470473 1434827433 /nfs/dbraw/zinc/82/74/33/1434827433.db2.gz VRGILSVEIJUPPA-INIZCTEOSA-N 1 0 375.450 3.494 20 5 GGBDRO CCOc1ccc([C@H](C)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000271497455 1434829686 /nfs/dbraw/zinc/82/96/86/1434829686.db2.gz LLCNVZGWLUNELL-UCLAIMLFSA-N 1 0 377.485 3.022 20 5 GGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000271587866 1434837183 /nfs/dbraw/zinc/83/71/83/1434837183.db2.gz XTQMMEWHNPLPSU-MWSMCUOVSA-N 1 0 389.477 3.400 20 5 GGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000271587870 1434837225 /nfs/dbraw/zinc/83/72/25/1434837225.db2.gz XTQMMEWHNPLPSU-VXKZXEGRSA-N 1 0 389.477 3.400 20 5 GGBDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000271636869 1434840872 /nfs/dbraw/zinc/84/08/72/1434840872.db2.gz ADUIUZWYAGMJAN-ZIAGYGMSSA-N 1 0 398.419 3.229 20 5 GGBDRO COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000271704009 1434845158 /nfs/dbraw/zinc/84/51/58/1434845158.db2.gz IGKCYPPAXMKLFL-HNAYVOBHSA-N 1 0 396.447 3.179 20 5 GGBDRO COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000271704010 1434845162 /nfs/dbraw/zinc/84/51/62/1434845162.db2.gz IGKCYPPAXMKLFL-KXBFYZLASA-N 1 0 396.447 3.179 20 5 GGBDRO COc1cccc(C2([NH2+]CCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)CC2)c1 ZINC000271718192 1434846040 /nfs/dbraw/zinc/84/60/40/1434846040.db2.gz PFNFPFXGIKFSMV-UHFFFAOYSA-N 1 0 385.420 3.220 20 5 GGBDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000271759646 1434848484 /nfs/dbraw/zinc/84/84/84/1434848484.db2.gz CJQDROHAQHOBBK-ZIAGYGMSSA-N 1 0 398.419 3.229 20 5 GGBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000271785865 1434850389 /nfs/dbraw/zinc/85/03/89/1434850389.db2.gz HSQJPKULECSHQB-PGGUUEOZSA-N 1 0 389.477 3.320 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000271821851 1434852864 /nfs/dbraw/zinc/85/28/64/1434852864.db2.gz QGVKXVXZLJTBNK-UONOGXRCSA-N 1 0 398.419 3.229 20 5 GGBDRO C[C@H]([NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000271829229 1434853203 /nfs/dbraw/zinc/85/32/03/1434853203.db2.gz QLXKIOQKLIPLJP-VXLFJPSPSA-N 1 0 375.450 3.010 20 5 GGBDRO CCC[C@H]([NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000272000566 1434864906 /nfs/dbraw/zinc/86/49/06/1434864906.db2.gz AHRBNAUHWQGPHF-GOEBONIOSA-N 1 0 386.374 3.209 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N3CC[C@@H]([C@@H](C)[NH3+])C3)cc2[N+](=O)[O-])n1 ZINC000272197297 1434877413 /nfs/dbraw/zinc/87/74/13/1434877413.db2.gz GAYKUYCEDHALCZ-DGCLKSJQSA-N 1 0 392.506 3.320 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N3CC[C@H]([C@H](C)[NH3+])C3)cc2[N+](=O)[O-])n1 ZINC000272197295 1434877475 /nfs/dbraw/zinc/87/74/75/1434877475.db2.gz GAYKUYCEDHALCZ-AAEUAGOBSA-N 1 0 392.506 3.320 20 5 GGBDRO CC(C)c1n[nH]c(C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000272214195 1434878537 /nfs/dbraw/zinc/87/85/37/1434878537.db2.gz AUBWZKUYMPIDPR-HOCLYGCPSA-N 1 0 385.468 3.082 20 5 GGBDRO COc1cc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272262566 1434882428 /nfs/dbraw/zinc/88/24/28/1434882428.db2.gz KHVZSLNDCMIKJW-GFCCVEGCSA-N 1 0 396.394 3.350 20 5 GGBDRO Cc1nn(C)c(C(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000272269791 1434882952 /nfs/dbraw/zinc/88/29/52/1434882952.db2.gz RQNQSYDDIOPSDN-YOEHRIQHSA-N 1 0 387.484 3.132 20 5 GGBDRO COc1cc(C[NH2+]CCc2c(C)noc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272353580 1434889813 /nfs/dbraw/zinc/88/98/13/1434889813.db2.gz DKQFAVBWXJRYPT-UHFFFAOYSA-N 1 0 385.367 3.184 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272363790 1434890574 /nfs/dbraw/zinc/89/05/74/1434890574.db2.gz SMYSYRBZAQFZAB-DOTOQJQBSA-N 1 0 383.448 3.244 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272363798 1434890664 /nfs/dbraw/zinc/89/06/64/1434890664.db2.gz SMYSYRBZAQFZAB-RDJZCZTQSA-N 1 0 383.448 3.244 20 5 GGBDRO COc1cc(C[NH2+]C[C@@H](c2ccco2)N(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272368001 1434890842 /nfs/dbraw/zinc/89/08/42/1434890842.db2.gz GDFYKAQHXZUOAH-AWEZNQCLSA-N 1 0 399.394 3.233 20 5 GGBDRO COc1cc(C[NH2+]C[C@@H](C)Cn2ccnc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272373080 1434891157 /nfs/dbraw/zinc/89/11/57/1434891157.db2.gz GULANYMGCMJZEE-GFCCVEGCSA-N 1 0 398.410 3.178 20 5 GGBDRO C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272386271 1434892748 /nfs/dbraw/zinc/89/27/48/1434892748.db2.gz WCLAUXRZUQNJQE-FUHWJXTLSA-N 1 0 383.448 3.000 20 5 GGBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000272416059 1434894879 /nfs/dbraw/zinc/89/48/79/1434894879.db2.gz ZOJXGURIPYADDB-NSHDSACASA-N 1 0 386.399 3.390 20 5 GGBDRO Cn1ccnc1[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000272472955 1434898801 /nfs/dbraw/zinc/89/88/01/1434898801.db2.gz ARXSDIAIXOXJQG-FQEVSTJZSA-N 1 0 379.464 3.269 20 5 GGBDRO Cn1ccnc1[C@H](NC[C@H](c1cccc(F)c1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000272483137 1434899545 /nfs/dbraw/zinc/89/95/45/1434899545.db2.gz CIJRMBLQPWWVKH-WOJBJXKFSA-N 1 0 397.454 3.449 20 5 GGBDRO Cn1ccnc1[C@H](NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000272509207 1434902126 /nfs/dbraw/zinc/90/21/26/1434902126.db2.gz IRZKZFGTGBGECK-VQTJNVASSA-N 1 0 397.454 3.449 20 5 GGBDRO C[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272651367 1434919673 /nfs/dbraw/zinc/91/96/73/1434919673.db2.gz FDABZNBNQZCDRP-WBVHZDCISA-N 1 0 384.480 3.319 20 5 GGBDRO C[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272651363 1434919788 /nfs/dbraw/zinc/91/97/88/1434919788.db2.gz FDABZNBNQZCDRP-NVXWUHKLSA-N 1 0 384.480 3.319 20 5 GGBDRO C[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272732674 1434926721 /nfs/dbraw/zinc/92/67/21/1434926721.db2.gz BXOGCAHBQWVBLU-KBPBESRZSA-N 1 0 381.498 3.063 20 5 GGBDRO C[C@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272752970 1434928164 /nfs/dbraw/zinc/92/81/64/1434928164.db2.gz OKUDXRLTWISFEO-KBPBESRZSA-N 1 0 381.423 3.456 20 5 GGBDRO COc1ccc(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000272782507 1434930820 /nfs/dbraw/zinc/93/08/20/1434930820.db2.gz FDIFTNLISTVHLO-KGLIPLIRSA-N 1 0 376.457 3.378 20 5 GGBDRO Cc1cc(N2CCC[C@@H]([C@H](O)c3nccn3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272849914 1434935833 /nfs/dbraw/zinc/93/58/33/1434935833.db2.gz ONHDIRXKSIAVLJ-KUHUBIRLSA-N 1 0 381.436 3.135 20 5 GGBDRO Cc1cc(N2CCC[C@@H]([C@@H](O)c3nccn3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272849909 1434935849 /nfs/dbraw/zinc/93/58/49/1434935849.db2.gz ONHDIRXKSIAVLJ-AUUYWEPGSA-N 1 0 381.436 3.135 20 5 GGBDRO Cc1cc(N2CCC[C@H]([C@H](O)c3nccn3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272849916 1434935931 /nfs/dbraw/zinc/93/59/31/1434935931.db2.gz ONHDIRXKSIAVLJ-LIRRHRJNSA-N 1 0 381.436 3.135 20 5 GGBDRO O=C(NC[C@H]1CC[NH2+]C1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000272975327 1434945517 /nfs/dbraw/zinc/94/55/17/1434945517.db2.gz CFMDZHPRIAVRCV-ZDUSSCGKSA-N 1 0 388.855 3.200 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000273301664 1434979295 /nfs/dbraw/zinc/97/92/95/1434979295.db2.gz GYKJTXFHWQUZHE-MRXNPFEDSA-N 1 0 394.431 3.000 20 5 GGBDRO COc1cc(C[NH2+][C@H]2CCO[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1O ZINC000273510443 1434993672 /nfs/dbraw/zinc/99/36/72/1434993672.db2.gz QRHIMWYHOQMTJK-YJBOKZPZSA-N 1 0 376.384 3.458 20 5 GGBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000273642678 1435001978 /nfs/dbraw/zinc/00/19/78/1435001978.db2.gz UTETVPZHSUWTKN-MRXNPFEDSA-N 1 0 376.501 3.289 20 5 GGBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000273856578 1435022100 /nfs/dbraw/zinc/02/21/00/1435022100.db2.gz MVPRWAIHGVVYQR-GASCZTMLSA-N 1 0 395.475 3.017 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1-c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)nc2)no1 ZINC000273893689 1435026105 /nfs/dbraw/zinc/02/61/05/1435026105.db2.gz PJJVQOJDUWLWSH-UHFFFAOYSA-N 1 0 394.435 3.157 20 5 GGBDRO C[NH+]1CCC([C@H]2CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000273928930 1435029476 /nfs/dbraw/zinc/02/94/76/1435029476.db2.gz RNXYMFPCYQIZGZ-HNNXBMFYSA-N 1 0 377.460 3.202 20 5 GGBDRO O=[N+]([O-])c1cc(-c2nc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)no2)cc(C(F)(F)F)c1 ZINC000274084283 1435042216 /nfs/dbraw/zinc/04/22/16/1435042216.db2.gz TVLLVKQASNHFOB-AAEUAGOBSA-N 1 0 384.314 3.199 20 5 GGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000274106715 1435044217 /nfs/dbraw/zinc/04/42/17/1435044217.db2.gz XPTRQMPVSCYPHP-UHFFFAOYSA-N 1 0 395.868 3.078 20 5 GGBDRO COc1cc(C[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000274296545 1435059003 /nfs/dbraw/zinc/05/90/03/1435059003.db2.gz RGKNPDZDNMFSLT-UKRRQHHQSA-N 1 0 386.395 3.295 20 5 GGBDRO COc1cc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc([N+](=O)[O-])c1OC ZINC000274592618 1435079940 /nfs/dbraw/zinc/07/99/40/1435079940.db2.gz FQNIMDCOLSCGLV-UGSOOPFHSA-N 1 0 387.436 3.033 20 5 GGBDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000275239548 1435125050 /nfs/dbraw/zinc/12/50/50/1435125050.db2.gz FHCONDUINNETTG-PXNSSMCTSA-N 1 0 388.468 3.352 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)c1 ZINC000275448928 1435139949 /nfs/dbraw/zinc/13/99/49/1435139949.db2.gz WBFCKTDCQAKCSY-AWEZNQCLSA-N 1 0 384.436 3.074 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)c1 ZINC000275448931 1435139966 /nfs/dbraw/zinc/13/99/66/1435139966.db2.gz WBFCKTDCQAKCSY-CQSZACIVSA-N 1 0 384.436 3.074 20 5 GGBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275832928 1435173332 /nfs/dbraw/zinc/17/33/32/1435173332.db2.gz BHWMTTCJOKRDSY-QGZVFWFLSA-N 1 0 393.487 3.060 20 5 GGBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275832907 1435173399 /nfs/dbraw/zinc/17/33/99/1435173399.db2.gz BHWMTTCJOKRDSY-KRWDZBQOSA-N 1 0 393.487 3.060 20 5 GGBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000276044840 1435187479 /nfs/dbraw/zinc/18/74/79/1435187479.db2.gz HLLIYXRQJFQAHG-UHFFFAOYSA-N 1 0 389.477 3.206 20 5 GGBDRO C[NH+](C)CCc1ccc(CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)cc1 ZINC000276290604 1435202569 /nfs/dbraw/zinc/20/25/69/1435202569.db2.gz JUAOTILYKCMTTO-UHFFFAOYSA-N 1 0 384.436 3.268 20 5 GGBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000276326824 1435204884 /nfs/dbraw/zinc/20/48/84/1435204884.db2.gz QQOJLIYNQCKZPW-UONOGXRCSA-N 1 0 381.498 3.063 20 5 GGBDRO CCOC(=O)c1csc(CC[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000276512809 1435215123 /nfs/dbraw/zinc/21/51/23/1435215123.db2.gz KWLKREXJWQQMFA-CYBMUJFWSA-N 1 0 377.466 3.381 20 5 GGBDRO CCOc1cc(C[NH2+][C@@H](C)c2ccc(OCC(=O)OC)cc2)ccc1[N+](=O)[O-] ZINC000276903939 1435241694 /nfs/dbraw/zinc/24/16/94/1435241694.db2.gz MAPFXXIGNKMDOE-AWEZNQCLSA-N 1 0 388.420 3.396 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000277030578 1435253918 /nfs/dbraw/zinc/25/39/18/1435253918.db2.gz GBRYAXZBARBBHQ-UHFFFAOYSA-N 1 0 398.463 3.386 20 5 GGBDRO O=C(c1cc(N2CCC([NH+]3CCCCC3)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000277144101 1435268064 /nfs/dbraw/zinc/26/80/64/1435268064.db2.gz QSEHXXQHHLQQTA-UHFFFAOYSA-N 1 0 386.496 3.286 20 5 GGBDRO Cc1noc(C[C@H]([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 ZINC000277229693 1435281636 /nfs/dbraw/zinc/28/16/36/1435281636.db2.gz GPHSVRBTMXWJGP-ACJLOTCBSA-N 1 0 395.419 3.187 20 5 GGBDRO COc1ccc(OCC[NH2+][C@H](Cc2nc(C)no2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000277359985 1435298021 /nfs/dbraw/zinc/29/80/21/1435298021.db2.gz XBQLVDYKMIYVJJ-QGZVFWFLSA-N 1 0 398.419 3.247 20 5 GGBDRO Cc1noc(C[C@@H]([NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000277432740 1435304364 /nfs/dbraw/zinc/30/43/64/1435304364.db2.gz QDQFASZJCRIRMR-SCLBCKFNSA-N 1 0 395.419 3.187 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@@H]([C@@H](O)C(F)(F)F)C3)o2)c1 ZINC000277624812 1435317257 /nfs/dbraw/zinc/31/72/57/1435317257.db2.gz ASCRXTCETRCOAP-CXAGYDPISA-N 1 0 399.369 3.428 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000277654487 1435319428 /nfs/dbraw/zinc/31/94/28/1435319428.db2.gz VOTDGEWRYNUYRE-UHFFFAOYSA-N 1 0 383.448 3.340 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CCN(c4cccnn4)CC3)o2)cc1 ZINC000277681679 1435321560 /nfs/dbraw/zinc/32/15/60/1435321560.db2.gz POTFKQLJSUJFRY-UHFFFAOYSA-N 1 0 379.420 3.403 20 5 GGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000277801030 1435331728 /nfs/dbraw/zinc/33/17/28/1435331728.db2.gz VPHGGEOXQUWWOJ-QGZVFWFLSA-N 1 0 392.500 3.016 20 5 GGBDRO Cn1nccc1N1CCC[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000278106529 1435360114 /nfs/dbraw/zinc/36/01/14/1435360114.db2.gz AVKITHUJJWUTPN-OAHLLOKOSA-N 1 0 398.492 3.210 20 5 GGBDRO CC(C)c1ccc(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000278476152 1435393822 /nfs/dbraw/zinc/39/38/22/1435393822.db2.gz JZFHSQKUYSCUOE-OAHLLOKOSA-N 1 0 375.469 3.044 20 5 GGBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCC1CC[NH+](C2CC2)CC1 ZINC000278481134 1435394201 /nfs/dbraw/zinc/39/42/01/1435394201.db2.gz FJNFWVPSLXPPQZ-UHFFFAOYSA-N 1 0 389.499 3.145 20 5 GGBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000278502684 1435395471 /nfs/dbraw/zinc/39/54/71/1435395471.db2.gz XJHRLNYZZIHBLN-UHFFFAOYSA-N 1 0 381.358 3.480 20 5 GGBDRO C[NH+](C)C1(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CCOCC1 ZINC000278595043 1435403354 /nfs/dbraw/zinc/40/33/54/1435403354.db2.gz ZEZDLKRUMPLWPR-UHFFFAOYSA-N 1 0 398.332 3.167 20 5 GGBDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278649939 1435410088 /nfs/dbraw/zinc/41/00/88/1435410088.db2.gz JQRPIBBBRNXKOU-CYBMUJFWSA-N 1 0 389.456 3.350 20 5 GGBDRO CC(C)(C)OC(=O)NC1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278734071 1435418514 /nfs/dbraw/zinc/41/85/14/1435418514.db2.gz QSROHHOUIKKLFH-UHFFFAOYSA-N 1 0 389.456 3.397 20 5 GGBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(OCc2ccccc2)c1 ZINC000278742320 1435418971 /nfs/dbraw/zinc/41/89/71/1435418971.db2.gz LRRFGVSMBMSFBT-OXJNMPFZSA-N 1 0 396.447 3.082 20 5 GGBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(OCc2ccccc2)c1 ZINC000278742314 1435419158 /nfs/dbraw/zinc/41/91/58/1435419158.db2.gz LRRFGVSMBMSFBT-JXFKEZNVSA-N 1 0 396.447 3.082 20 5 GGBDRO CS(=O)(=O)Nc1ccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000278758014 1435420511 /nfs/dbraw/zinc/42/05/11/1435420511.db2.gz OHGBWKWZISUWRG-SFHVURJKSA-N 1 0 375.450 3.134 20 5 GGBDRO C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000278837918 1435429115 /nfs/dbraw/zinc/42/91/15/1435429115.db2.gz KNKWFUDUEONKLK-ZDUSSCGKSA-N 1 0 389.477 3.135 20 5 GGBDRO O=C1[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCN1Cc1ccccn1 ZINC000278863140 1435432605 /nfs/dbraw/zinc/43/26/05/1435432605.db2.gz WLPBXHLBNVSPDV-UXHICEINSA-N 1 0 380.448 3.148 20 5 GGBDRO COc1cc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)ccc1OCCO ZINC000279033291 1435454209 /nfs/dbraw/zinc/45/42/09/1435454209.db2.gz ISNQKDUZSRLCAU-SFHVURJKSA-N 1 0 386.448 3.487 20 5 GGBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000279132506 1435463747 /nfs/dbraw/zinc/46/37/47/1435463747.db2.gz BZGRCMMKNHIUEJ-UHFFFAOYSA-N 1 0 390.440 3.117 20 5 GGBDRO NC(=O)c1ccc(C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000279151741 1435465570 /nfs/dbraw/zinc/46/55/70/1435465570.db2.gz AMRIFWVWIXYPHT-UHFFFAOYSA-N 1 0 387.411 3.014 20 5 GGBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000279399626 1435495280 /nfs/dbraw/zinc/49/52/80/1435495280.db2.gz WJFQYVDTJFLWBZ-CYBMUJFWSA-N 1 0 383.851 3.264 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000279409020 1435496047 /nfs/dbraw/zinc/49/60/47/1435496047.db2.gz KHBGHKZRVNKGOE-AWEZNQCLSA-N 1 0 386.427 3.053 20 5 GGBDRO COc1cc(C[N@H+](C)CCCCCO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000279424088 1435497832 /nfs/dbraw/zinc/49/78/32/1435497832.db2.gz NMTFKIFVRMCZMK-UHFFFAOYSA-N 1 0 380.363 3.139 20 5 GGBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000279704401 1435532367 /nfs/dbraw/zinc/53/23/67/1435532367.db2.gz KCCOAFFZKTWDKK-UHFFFAOYSA-N 1 0 383.448 3.388 20 5 GGBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)N1CCc2sccc2C1 ZINC000279806025 1435545509 /nfs/dbraw/zinc/54/55/09/1435545509.db2.gz WXTXSZFNFXQHGH-ZDUSSCGKSA-N 1 0 389.477 3.232 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](CO)[C@H]3CCOC3)o2)c(Cl)c1 ZINC000280340843 1435640272 /nfs/dbraw/zinc/64/02/72/1435640272.db2.gz RFQIYKOPQFCHSM-STQMWFEESA-N 1 0 380.828 3.243 20 5 GGBDRO CN(C(=O)[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1)c1ccccc1 ZINC000280709076 1435707655 /nfs/dbraw/zinc/70/76/55/1435707655.db2.gz HJSMNVWJEUTAAG-CQSZACIVSA-N 1 0 380.404 3.221 20 5 GGBDRO CCC(=O)c1ccc(N2CCC(OCC[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000280716125 1435708534 /nfs/dbraw/zinc/70/85/34/1435708534.db2.gz LQLXCTNKGNXZJB-UHFFFAOYSA-N 1 0 375.469 3.269 20 5 GGBDRO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)c2c(c1)COCO2 ZINC000280716067 1435708540 /nfs/dbraw/zinc/70/85/40/1435708540.db2.gz BTZITNDWSLXJLP-IPMKNSEASA-N 1 0 376.453 3.367 20 5 GGBDRO CCC(=O)c1ccc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000280745192 1435713485 /nfs/dbraw/zinc/71/34/85/1435713485.db2.gz OVPFDZYFQJAQSD-UHFFFAOYSA-N 1 0 388.512 3.182 20 5 GGBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280793393 1435721476 /nfs/dbraw/zinc/72/14/76/1435721476.db2.gz HRXGVKLPYDMYLI-INIZCTEOSA-N 1 0 397.884 3.397 20 5 GGBDRO Cc1ccc([C@@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])[C@H](C)S(C)(=O)=O)cc1 ZINC000280818984 1435725776 /nfs/dbraw/zinc/72/57/76/1435725776.db2.gz NANLKICSBSQPFV-KXBFYZLASA-N 1 0 392.477 3.046 20 5 GGBDRO O=c1[nH]c(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000281000434 1435754187 /nfs/dbraw/zinc/75/41/87/1435754187.db2.gz PMXSETOWEZCMQL-UHFFFAOYSA-N 1 0 397.410 3.095 20 5 GGBDRO Cc1cc(OCC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000281115144 1435777083 /nfs/dbraw/zinc/77/70/83/1435777083.db2.gz NNJHDFDCQNGWEH-HOTGVXAUSA-N 1 0 375.469 3.051 20 5 GGBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000281172723 1435789269 /nfs/dbraw/zinc/78/92/69/1435789269.db2.gz MVYWCRZGOPJRTI-QGZVFWFLSA-N 1 0 387.436 3.035 20 5 GGBDRO O=c1[nH]c(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)nc2ccc([N+](=O)[O-])cc21 ZINC000281242080 1435800419 /nfs/dbraw/zinc/80/04/19/1435800419.db2.gz TXWUTQHJOKTXPY-MRXNPFEDSA-N 1 0 393.447 3.220 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000281475581 1435810512 /nfs/dbraw/zinc/81/05/12/1435810512.db2.gz GMMBGXDVIIJFPK-QGZVFWFLSA-N 1 0 375.469 3.007 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000281930369 1435827269 /nfs/dbraw/zinc/82/72/69/1435827269.db2.gz KMADEBJSDOVQBZ-UHFFFAOYSA-N 1 0 399.451 3.175 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000282747580 1435858805 /nfs/dbraw/zinc/85/88/05/1435858805.db2.gz BTFCGGOSJLDQMP-GOSISDBHSA-N 1 0 375.400 3.165 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000283171584 1435877858 /nfs/dbraw/zinc/87/78/58/1435877858.db2.gz KZHMAEPJJAWSOX-UHFFFAOYSA-N 1 0 384.436 3.035 20 5 GGBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000283538533 1435894433 /nfs/dbraw/zinc/89/44/33/1435894433.db2.gz GXJUKBXULQIGFP-UHFFFAOYSA-N 1 0 397.479 3.090 20 5 GGBDRO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000283619878 1435898184 /nfs/dbraw/zinc/89/81/84/1435898184.db2.gz APSQSWRFZKLTDE-UHFFFAOYSA-N 1 0 384.484 3.328 20 5 GGBDRO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000283671877 1435900809 /nfs/dbraw/zinc/90/08/09/1435900809.db2.gz GHKSLNKLTXXLTO-SJORKVTESA-N 1 0 392.419 3.199 20 5 GGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000283793816 1435924782 /nfs/dbraw/zinc/92/47/82/1435924782.db2.gz SMXHTFFYCKMTPD-UHFFFAOYSA-N 1 0 383.448 3.366 20 5 GGBDRO CC(=O)c1cc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)ccc1[N+](=O)[O-] ZINC000283833425 1435933118 /nfs/dbraw/zinc/93/31/18/1435933118.db2.gz SRTVSCHCSLTZOQ-UHFFFAOYSA-N 1 0 383.448 3.366 20 5 GGBDRO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@@H](C)O1 ZINC000284117142 1435993622 /nfs/dbraw/zinc/99/36/22/1435993622.db2.gz UAUYQDUACNSOAO-MCIONIFRSA-N 1 0 396.875 3.354 20 5 GGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000284157670 1436000439 /nfs/dbraw/zinc/00/04/39/1436000439.db2.gz PWMYBZMEWHNFBY-RDJZCZTQSA-N 1 0 379.319 3.401 20 5 GGBDRO C[C@H]([NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284217934 1436004778 /nfs/dbraw/zinc/00/47/78/1436004778.db2.gz TVUPSJSYWALLDN-CVEARBPZSA-N 1 0 384.480 3.249 20 5 GGBDRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3ccc([N+](=O)[O-])s3)cc2)CC1 ZINC000284391945 1436018424 /nfs/dbraw/zinc/01/84/24/1436018424.db2.gz GSKXKQFFAHBAAO-UHFFFAOYSA-N 1 0 375.450 3.059 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000284719384 1436042933 /nfs/dbraw/zinc/04/29/33/1436042933.db2.gz JHONHEHATTTWPC-FQEVSTJZSA-N 1 0 396.491 3.091 20 5 GGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000284812550 1436052312 /nfs/dbraw/zinc/05/23/12/1436052312.db2.gz LMIGDJMUDUJCSG-SOIKWTOOSA-N 1 0 397.479 3.182 20 5 GGBDRO O=[N+]([O-])c1cc(C(F)(F)N2C[C@@H]3[NH2+]Cc4ccccc4[C@H]3C2)cnc1Cl ZINC001164425481 718939527 /nfs/dbraw/zinc/93/95/27/718939527.db2.gz VOQNHRJQKYEMDZ-KGLIPLIRSA-N 1 0 380.782 3.264 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCC[C@H]4[NH2+]C[C@@H]43)c(Cl)nn2)c1 ZINC001164450607 719002401 /nfs/dbraw/zinc/00/24/01/719002401.db2.gz YYICGTGYCIEVRM-HIFRSBDPSA-N 1 0 395.797 3.191 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CCC[C@@H]4[NH2+]C[C@H]43)c(Cl)nn2)cc1 ZINC001164448871 719002688 /nfs/dbraw/zinc/00/26/88/719002688.db2.gz JPSJPWBTRALYMB-DZGCQCFKSA-N 1 0 395.797 3.191 20 5 GGBDRO O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CCC[C@H]3[NH2+]C[C@H]32)c(Cl)nn1 ZINC001164450515 719002997 /nfs/dbraw/zinc/00/29/97/719002997.db2.gz XROMCCUMCHETCY-IUODEOHRSA-N 1 0 395.797 3.191 20 5 GGBDRO O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CCC[C@@H]3[NH2+]C[C@H]32)c(Cl)nn1 ZINC001164450516 719003102 /nfs/dbraw/zinc/00/31/02/719003102.db2.gz XROMCCUMCHETCY-SWLSCSKDSA-N 1 0 395.797 3.191 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CCC[C@@H]4[NH2+]C[C@@H]43)c(Cl)nn2)cc1 ZINC001164448874 719003342 /nfs/dbraw/zinc/00/33/42/719003342.db2.gz JPSJPWBTRALYMB-ZFWWWQNUSA-N 1 0 395.797 3.191 20 5 GGBDRO CC(C)C[NH+]1CCN(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)CC1 ZINC001164657382 719339391 /nfs/dbraw/zinc/33/93/91/719339391.db2.gz JPBCSWXDGCTFDK-UHFFFAOYSA-N 1 0 375.860 3.483 20 5 GGBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc3ccc([N+](=O)[O-])cc3n1)C2 ZINC001164811377 720099490 /nfs/dbraw/zinc/09/94/90/720099490.db2.gz ODJQAXKABPBYLG-PGRDOPGGSA-N 1 0 396.491 3.328 20 5 GGBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3ccccc3cc1[N+](=O)[O-])C2 ZINC001164815847 720141122 /nfs/dbraw/zinc/14/11/22/720141122.db2.gz WKRXWTOFAQXKEB-PGRDOPGGSA-N 1 0 396.491 3.328 20 5 GGBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc3ccc([N+](=O)[O-])cc31)C2 ZINC001164818532 720154588 /nfs/dbraw/zinc/15/45/88/720154588.db2.gz TVJLVKNWLIZETP-XMSQKQJNSA-N 1 0 396.491 3.328 20 5 GGBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc3cc([N+](=O)[O-])ccc31)C2 ZINC001164814163 720199137 /nfs/dbraw/zinc/19/91/37/720199137.db2.gz TYIATTGCPQCMGO-GCJKJVERSA-N 1 0 396.491 3.328 20 5 GGBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c1 ZINC001164725697 720424678 /nfs/dbraw/zinc/42/46/78/720424678.db2.gz AQHYXTOWNKXUAS-VQTJNVASSA-N 1 0 375.432 3.391 20 5 GGBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164724374 720478664 /nfs/dbraw/zinc/47/86/64/720478664.db2.gz FRWFWXZZBKQENO-PMACEKPBSA-N 1 0 375.432 3.391 20 5 GGBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164724377 720479060 /nfs/dbraw/zinc/47/90/60/720479060.db2.gz FRWFWXZZBKQENO-WOJBJXKFSA-N 1 0 375.432 3.391 20 5 GGBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164724375 720479303 /nfs/dbraw/zinc/47/93/03/720479303.db2.gz FRWFWXZZBKQENO-UXHICEINSA-N 1 0 375.432 3.391 20 5 GGBDRO Cc1c(C)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)ncc1[N+](=O)[O-] ZINC001164835839 720555766 /nfs/dbraw/zinc/55/57/66/720555766.db2.gz IDSVQKPPUPDTSY-CEXWTWQISA-N 1 0 398.511 3.181 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164839178 720556518 /nfs/dbraw/zinc/55/65/18/720556518.db2.gz PSJJIQSDWPDJKG-GUDVDZBRSA-N 1 0 398.511 3.181 20 5 GGBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncc([N+](=O)[O-])cc1Cl)[C@H]2C ZINC001164854860 720924685 /nfs/dbraw/zinc/92/46/85/720924685.db2.gz GIFSJTJCVNLQHO-LBPRGKRZSA-N 1 0 378.864 3.261 20 5 GGBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)[C@H]2C ZINC001164863586 720982197 /nfs/dbraw/zinc/98/21/97/720982197.db2.gz WWODILWKGUJQEU-ZDUSSCGKSA-N 1 0 383.456 3.089 20 5 GGBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncnc3cccc([N+](=O)[O-])c31)[C@@H]2C ZINC001164858837 721017343 /nfs/dbraw/zinc/01/73/43/721017343.db2.gz HTCFDEYUOHWQQR-CQSZACIVSA-N 1 0 395.467 3.156 20 5 GGBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc5ccc6cccnc6c5n4)C[C@H]3C2)cn1 ZINC001164770379 721096483 /nfs/dbraw/zinc/09/64/83/721096483.db2.gz PVQNVGDMNHSFSR-NHCUHLMSSA-N 1 0 398.514 3.475 20 5 GGBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc5ccc6cccnc6c5n4)C[C@@H]3C2)cn1 ZINC001164770387 721096778 /nfs/dbraw/zinc/09/67/78/721096778.db2.gz PVQNVGDMNHSFSR-SFTDATJTSA-N 1 0 398.514 3.475 20 5 GGBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164896281 721511537 /nfs/dbraw/zinc/51/15/37/721511537.db2.gz AMYLWLMBOISGNN-GDBMZVCRSA-N 1 0 392.818 3.124 20 5 GGBDRO O=[N+]([O-])c1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)c1 ZINC001164901065 721511756 /nfs/dbraw/zinc/51/17/56/721511756.db2.gz WHNLTSUTKORLOK-GOEBONIOSA-N 1 0 392.818 3.124 20 5 GGBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164901032 721518492 /nfs/dbraw/zinc/51/84/92/721518492.db2.gz WBMIKSOHWDGTAO-HIFRSBDPSA-N 1 0 392.818 3.124 20 5 GGBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164901030 721519197 /nfs/dbraw/zinc/51/91/97/721519197.db2.gz WBMIKSOHWDGTAO-DZGCQCFKSA-N 1 0 392.818 3.124 20 5 GGBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164901035 721519706 /nfs/dbraw/zinc/51/97/06/721519706.db2.gz WBMIKSOHWDGTAO-ZFWWWQNUSA-N 1 0 392.818 3.124 20 5 GGBDRO Cc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)ccc1[N+](=O)[O-] ZINC001165025422 721800802 /nfs/dbraw/zinc/80/08/02/721800802.db2.gz OCYHFRKWDRXIAU-QRFRQXIXSA-N 1 0 381.480 3.430 20 5 GGBDRO Cc1cnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001165025024 721801264 /nfs/dbraw/zinc/80/12/64/721801264.db2.gz NECKKPJDXWRPSA-QXAKKESOSA-N 1 0 381.480 3.430 20 5 GGBDRO COc1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165028254 721809195 /nfs/dbraw/zinc/80/91/95/721809195.db2.gz WTDIABOSZJUGJD-JQHSSLGASA-N 1 0 397.479 3.130 20 5 GGBDRO COc1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165028251 721809240 /nfs/dbraw/zinc/80/92/40/721809240.db2.gz WTDIABOSZJUGJD-CGTJXYLNSA-N 1 0 397.479 3.130 20 5 GGBDRO COc1cnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001165025222 721810311 /nfs/dbraw/zinc/81/03/11/721810311.db2.gz MARZHHPBAHIPAH-KFKAGJAMSA-N 1 0 397.479 3.130 20 5 GGBDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001164928837 721859789 /nfs/dbraw/zinc/85/97/89/721859789.db2.gz OPQUSQPPVMGIGZ-CVEARBPZSA-N 1 0 389.887 3.011 20 5 GGBDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001164929553 721888890 /nfs/dbraw/zinc/88/88/90/721888890.db2.gz BQMQHYSOYKTWGO-JKSUJKDBSA-N 1 0 389.887 3.011 20 5 GGBDRO O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[NH+](C[C@@H]4CCCO4)CC3)ccc21 ZINC001165040150 721912103 /nfs/dbraw/zinc/91/21/03/721912103.db2.gz YREJRTBZQLGYBE-ZDUSSCGKSA-N 1 0 376.844 3.097 20 5 GGBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncc(C)cc4[N+](=O)[O-])CC3)C2)cc1 ZINC001164937843 721921167 /nfs/dbraw/zinc/92/11/67/721921167.db2.gz GCZUUFUSPJHEFC-UHFFFAOYSA-N 1 0 396.491 3.478 20 5 GGBDRO Cc1cc(N2CC[NH+](CCc3ccccn3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001165053264 722010340 /nfs/dbraw/zinc/01/03/40/722010340.db2.gz DKFFFMIAGZXESR-UHFFFAOYSA-N 1 0 377.448 3.211 20 5 GGBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164968272 722077747 /nfs/dbraw/zinc/07/77/47/722077747.db2.gz YYNOFJBBRCANSD-GASCZTMLSA-N 1 0 388.855 3.096 20 5 GGBDRO C[C@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001589306560 953746477 /nfs/dbraw/zinc/74/64/77/953746477.db2.gz YGGRNWQIZKQPIN-QFBILLFUSA-N 1 0 389.496 3.034 20 5 GGBDRO O=C([O-])C[C@@H]1CCC[N@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001606094600 973260978 /nfs/dbraw/zinc/26/09/78/973260978.db2.gz AGIIZXCFSUXFMW-IBGZPJMESA-N 1 0 389.496 3.036 20 5 GGBDRO C[N@H+](CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)C(C)(C)CC(=O)[O-] ZINC001598461972 991961031 /nfs/dbraw/zinc/96/10/31/991961031.db2.gz KZLAIKODTKRCAY-UHFFFAOYSA-N 1 0 377.485 3.034 20 5 GGBDRO NC(=O)c1ccc(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000011174469 221112240 /nfs/dbraw/zinc/11/22/40/221112240.db2.gz WGNYUYARPNUJFZ-UHFFFAOYSA-N 1 0 388.855 3.059 20 5 GGBDRO CC(C)[C@@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[NH+]1CCC(C)CC1 ZINC000058161492 222042324 /nfs/dbraw/zinc/04/23/24/222042324.db2.gz ZRRAEIKPBUZCID-HXUWFJFHSA-N 1 0 399.495 3.267 20 5 GGBDRO CS[C@@H]1CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000241693902 534013190 /nfs/dbraw/zinc/01/31/90/534013190.db2.gz QIRNWTDYQGLUQH-RTBURBONSA-N 1 0 385.489 3.308 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCN(Cc2cccs2)CC1 ZINC000117745011 564231211 /nfs/dbraw/zinc/23/12/11/564231211.db2.gz VRIRICHQVFOQLA-UHFFFAOYSA-N 1 0 379.869 3.197 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000119059899 564253062 /nfs/dbraw/zinc/25/30/62/564253062.db2.gz JNTBGCBPNCYNNP-CQSZACIVSA-N 1 0 396.285 3.366 20 5 GGBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)C[NH+]1CCCCC1 ZINC000119390732 564269172 /nfs/dbraw/zinc/26/91/72/564269172.db2.gz NAPTURFYUNIATR-LBPRGKRZSA-N 1 0 384.274 3.209 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000119978460 564297999 /nfs/dbraw/zinc/29/79/99/564297999.db2.gz ZAJXSMHRDUPAFB-CYBMUJFWSA-N 1 0 384.274 3.222 20 5 GGBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000121679570 564381342 /nfs/dbraw/zinc/38/13/42/564381342.db2.gz FTKOBJQLSWPBAD-CYBMUJFWSA-N 1 0 382.258 3.058 20 5 GGBDRO Cc1cccc2nc(CNC(=O)c3ccc([N+](=O)[O-])cc3Br)cn21 ZINC000121915666 564392520 /nfs/dbraw/zinc/39/25/20/564392520.db2.gz JGUYKYQAFKGUSO-UHFFFAOYSA-N 1 0 389.209 3.243 20 5 GGBDRO [NH3+]C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCCCCC1 ZINC000122413073 564412964 /nfs/dbraw/zinc/41/29/64/564412964.db2.gz TZHMTXAMGOWUQD-UHFFFAOYSA-N 1 0 384.274 3.068 20 5 GGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000122792370 564427493 /nfs/dbraw/zinc/42/74/93/564427493.db2.gz YRQVITXOHFGGLY-GFCCVEGCSA-N 1 0 384.274 3.161 20 5 GGBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000124056003 564470067 /nfs/dbraw/zinc/47/00/67/564470067.db2.gz RLTIEBJSIHJGCF-GFCCVEGCSA-N 1 0 384.274 3.065 20 5 GGBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000124056218 564470124 /nfs/dbraw/zinc/47/01/24/564470124.db2.gz RLTIEBJSIHJGCF-LBPRGKRZSA-N 1 0 384.274 3.065 20 5 GGBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000124382348 564480796 /nfs/dbraw/zinc/48/07/96/564480796.db2.gz TTWHLTWYGINCKT-ZDUSSCGKSA-N 1 0 398.301 3.455 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000124905249 564497368 /nfs/dbraw/zinc/49/73/68/564497368.db2.gz TWWWPPDYUBHZRS-CYBMUJFWSA-N 1 0 396.285 3.224 20 5 GGBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](CO)c1cccc(Br)c1 ZINC000125798802 564526653 /nfs/dbraw/zinc/52/66/53/564526653.db2.gz LUVWBCZIHCVEQA-IRXDYDNUSA-N 1 0 395.253 3.056 20 5 GGBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](CO)c1cccc(Br)c1 ZINC000125799036 564527053 /nfs/dbraw/zinc/52/70/53/564527053.db2.gz LUVWBCZIHCVEQA-DLBZAZTESA-N 1 0 395.253 3.056 20 5 GGBDRO CSCC[C@@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000126313492 564544812 /nfs/dbraw/zinc/54/48/12/564544812.db2.gz KHJODYGSLQVZBB-SNVBAGLBSA-N 1 0 390.303 3.369 20 5 GGBDRO Cc1c(Br)cc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000126776564 564561929 /nfs/dbraw/zinc/56/19/29/564561929.db2.gz ZKAAEPKHUYBDJY-STQMWFEESA-N 1 0 384.274 3.268 20 5 GGBDRO Cc1c(Br)cc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000127119485 564574138 /nfs/dbraw/zinc/57/41/38/564574138.db2.gz GXESDTFPXPPGHJ-JOYOIKCWSA-N 1 0 382.258 3.021 20 5 GGBDRO Cc1c(Br)cc(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000127374755 564581778 /nfs/dbraw/zinc/58/17/78/564581778.db2.gz HGRNXVBHJZLZDA-CYBMUJFWSA-N 1 0 398.301 3.373 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000127772365 564595128 /nfs/dbraw/zinc/59/51/28/564595128.db2.gz QIAYVXVQDUBIHB-IUODEOHRSA-N 1 0 396.285 3.222 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000127772828 564595265 /nfs/dbraw/zinc/59/52/65/564595265.db2.gz QIAYVXVQDUBIHB-SWLSCSKDSA-N 1 0 396.285 3.222 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000127914673 564600970 /nfs/dbraw/zinc/60/09/70/564600970.db2.gz PZSBCGUWKPUQTB-IUODEOHRSA-N 1 0 396.285 3.222 20 5 GGBDRO CC(C)C[NH+]1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000128511221 564621305 /nfs/dbraw/zinc/62/13/05/564621305.db2.gz BNDOWQYQEXFLOF-UHFFFAOYSA-N 1 0 398.301 3.136 20 5 GGBDRO COc1cc(C[N@H+](C)[C@@H]2CCSC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000130551925 564686216 /nfs/dbraw/zinc/68/62/16/564686216.db2.gz QEAIFBKXXMSUSY-LLVKDONJSA-N 1 0 380.388 3.482 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000130606503 564687017 /nfs/dbraw/zinc/68/70/17/564687017.db2.gz CVZOBISSCHODQN-MRXNPFEDSA-N 1 0 392.253 3.390 20 5 GGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1 ZINC000134463773 564804471 /nfs/dbraw/zinc/80/44/71/564804471.db2.gz SXNOKGQUPGJUBI-SNVBAGLBSA-N 1 0 375.376 3.146 20 5 GGBDRO COc1cc(C[NH2+]CCOc2ncc(Cl)cc2Cl)c([N+](=O)[O-])cc1O ZINC000134476949 564804501 /nfs/dbraw/zinc/80/45/01/564804501.db2.gz UZVDSWYKACQDNK-UHFFFAOYSA-N 1 0 388.207 3.179 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@H](CO)C3)o2)c(Br)c1 ZINC000092764000 564881216 /nfs/dbraw/zinc/88/12/16/564881216.db2.gz KCDRFPFKZHUFRL-NSHDSACASA-N 1 0 381.226 3.432 20 5 GGBDRO O=C(c1cc([N+](=O)[O-])ccc1Br)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150815370 564892355 /nfs/dbraw/zinc/89/23/55/564892355.db2.gz QPEWWUVMCOTMIU-CYBMUJFWSA-N 1 0 396.285 3.448 20 5 GGBDRO CC[NH+]1CCC(CNc2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000096482932 564902292 /nfs/dbraw/zinc/90/22/92/564902292.db2.gz FIJLHWHUNPWAIE-UHFFFAOYSA-N 1 0 389.237 3.343 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000151485847 564922539 /nfs/dbraw/zinc/92/25/39/564922539.db2.gz RIZJQXZSGUZCQO-ZDUSSCGKSA-N 1 0 398.301 3.281 20 5 GGBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 ZINC000152611161 564965099 /nfs/dbraw/zinc/96/50/99/564965099.db2.gz SSXUPYHQTLZTAE-VIFPVBQESA-N 1 0 390.665 3.034 20 5 GGBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000152725873 564969650 /nfs/dbraw/zinc/96/96/50/564969650.db2.gz NUWJIZXTYWCLGO-CYBMUJFWSA-N 1 0 396.285 3.448 20 5 GGBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000154763243 565051653 /nfs/dbraw/zinc/05/16/53/565051653.db2.gz XLCCIOLXRPKXSK-CQSZACIVSA-N 1 0 398.301 3.281 20 5 GGBDRO C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc([N+](=O)[O-])cc1Br ZINC000155052166 565060600 /nfs/dbraw/zinc/06/06/00/565060600.db2.gz CQACVJJITLNTPR-OAHLLOKOSA-N 1 0 395.253 3.229 20 5 GGBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000155194575 565063805 /nfs/dbraw/zinc/06/38/05/565063805.db2.gz QKSCIRXZDDXEIT-FZMZJTMJSA-N 1 0 397.273 3.305 20 5 GGBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000267451666 565118475 /nfs/dbraw/zinc/11/84/75/565118475.db2.gz NACULTKCCSNKCI-CQSZACIVSA-N 1 0 396.285 3.448 20 5 GGBDRO C[C@H]1C[N@H+](CCCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCCO1 ZINC000293024590 565147093 /nfs/dbraw/zinc/14/70/93/565147093.db2.gz UZTPVLWQQINVFZ-NSHDSACASA-N 1 0 390.267 3.132 20 5 GGBDRO O=[N+]([O-])c1cc(Br)cnc1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000268498269 565154363 /nfs/dbraw/zinc/15/43/63/565154363.db2.gz QWWQZSIFZJLNNC-UHFFFAOYSA-N 1 0 392.257 3.224 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1cccs1 ZINC000184851627 565161668 /nfs/dbraw/zinc/16/16/68/565161668.db2.gz XRPVQEOONJHPBL-CQSZACIVSA-N 1 0 382.873 3.412 20 5 GGBDRO C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268723859 565165544 /nfs/dbraw/zinc/16/55/44/565165544.db2.gz AEHVCDBJXNRQJN-QWHCGFSZSA-N 1 0 380.491 3.409 20 5 GGBDRO O=[N+]([O-])c1ccc(Br)cc1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000268786249 565167963 /nfs/dbraw/zinc/16/79/63/565167963.db2.gz DXXQKUCZNNLZMC-GFCCVEGCSA-N 1 0 384.274 3.270 20 5 GGBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000269248819 565182161 /nfs/dbraw/zinc/18/21/61/565182161.db2.gz CYTVPURPINTVLH-UHFFFAOYSA-N 1 0 384.274 3.302 20 5 GGBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000269258113 565183772 /nfs/dbraw/zinc/18/37/72/565183772.db2.gz GYMGUYZXSWNVQH-UHFFFAOYSA-N 1 0 396.285 3.448 20 5 GGBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000371470126 565195036 /nfs/dbraw/zinc/19/50/36/565195036.db2.gz JCFYHHGZYJWOTE-UNEWFSDZSA-N 1 0 398.301 3.041 20 5 GGBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[NH+](C2CCCC2)CC1 ZINC000159513521 565209164 /nfs/dbraw/zinc/20/91/64/565209164.db2.gz HGOIXORIKXYIQA-UHFFFAOYSA-N 1 0 382.258 3.058 20 5 GGBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3ccc(Br)c([N+](=O)[O-])c3)C2)CC1 ZINC000270155572 565209855 /nfs/dbraw/zinc/20/98/55/565209855.db2.gz RYDLSICNKJHHHN-CQSZACIVSA-N 1 0 396.285 3.161 20 5 GGBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C2)CC1 ZINC000270297643 565214809 /nfs/dbraw/zinc/21/48/09/565214809.db2.gz XYNINPAMVFPCTG-ZDUSSCGKSA-N 1 0 396.285 3.161 20 5 GGBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(Br)c1 ZINC000161921084 565298194 /nfs/dbraw/zinc/29/81/94/565298194.db2.gz CNUHKMDFPSTPJG-IAQYHMDHSA-N 1 0 381.274 3.205 20 5 GGBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000273164897 565310651 /nfs/dbraw/zinc/31/06/51/565310651.db2.gz GLYQLUVQCYGJLA-CYBMUJFWSA-N 1 0 383.901 3.285 20 5 GGBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000162300421 565312628 /nfs/dbraw/zinc/31/26/28/565312628.db2.gz SQBPCNCKJRLUQW-UHFFFAOYSA-N 1 0 384.274 3.350 20 5 GGBDRO O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC([NH+]2CCCCC2)CC1 ZINC000273224545 565313041 /nfs/dbraw/zinc/31/30/41/565313041.db2.gz NOGWLKYDQSVIBU-UHFFFAOYSA-N 1 0 396.285 3.448 20 5 GGBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000273224278 565313086 /nfs/dbraw/zinc/31/30/86/565313086.db2.gz DSBIUDMUGPEPKL-NSHDSACASA-N 1 0 384.274 3.160 20 5 GGBDRO C[NH+](C)CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000162389121 565316524 /nfs/dbraw/zinc/31/65/24/565316524.db2.gz LECMNKUWDAWLFR-UHFFFAOYSA-N 1 0 384.274 3.304 20 5 GGBDRO C[NH+]1CCC2(CCCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C2)CC1 ZINC000374101465 565319324 /nfs/dbraw/zinc/31/93/24/565319324.db2.gz ZAWLNAKFOXHSQA-UHFFFAOYSA-N 1 0 396.285 3.305 20 5 GGBDRO Cc1c(Br)cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000297137809 565358199 /nfs/dbraw/zinc/35/81/99/565358199.db2.gz UQNCJTKPJNFNOC-YHWZYXNKSA-N 1 0 382.258 3.021 20 5 GGBDRO C[C@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000375380511 565384060 /nfs/dbraw/zinc/38/40/60/565384060.db2.gz PTLPBIGLHSMIEA-LRDDRELGSA-N 1 0 387.311 3.364 20 5 GGBDRO COc1cccc([C@@H](CNc2ncc(Br)cc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000301090379 565463608 /nfs/dbraw/zinc/46/36/08/565463608.db2.gz NIPOOYJIEZDMES-OAHLLOKOSA-N 1 0 395.257 3.476 20 5 GGBDRO COc1cc[nH+]c(N2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)c1 ZINC000301188494 565470446 /nfs/dbraw/zinc/47/04/46/565470446.db2.gz KRTZTJHPMVDAPL-UHFFFAOYSA-N 1 0 393.241 3.088 20 5 GGBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000277109571 565477150 /nfs/dbraw/zinc/47/71/50/565477150.db2.gz QJMLYXLBWPSBOC-GFCCVEGCSA-N 1 0 385.262 3.305 20 5 GGBDRO COc1cc[nH+]c(N2CCN(c3ccc([N+](=O)[O-])cc3Br)CC2)c1 ZINC000301407854 565484101 /nfs/dbraw/zinc/48/41/01/565484101.db2.gz MZKPKJSQFJQXKP-UHFFFAOYSA-N 1 0 393.241 3.088 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccsc1 ZINC000277261994 565485541 /nfs/dbraw/zinc/48/55/41/565485541.db2.gz LLQIKYJPWPJPJR-ZDUSSCGKSA-N 1 0 398.282 3.452 20 5 GGBDRO O=[N+]([O-])c1cc(Br)ccc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000301429595 565486381 /nfs/dbraw/zinc/48/63/81/565486381.db2.gz NNOHNKLLAIBFSJ-UHFFFAOYSA-N 1 0 398.301 3.439 20 5 GGBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(c3ccccc3Br)CC2)n1 ZINC000189811270 565490134 /nfs/dbraw/zinc/49/01/34/565490134.db2.gz NEMKODZXCZULOK-UHFFFAOYSA-N 1 0 379.258 3.433 20 5 GGBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000172531671 565490541 /nfs/dbraw/zinc/49/05/41/565490541.db2.gz VPIXLMNLCVZMBK-ZDUSSCGKSA-N 1 0 382.258 3.058 20 5 GGBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1cccc([N+](=O)[O-])c1Br ZINC000277381143 565493672 /nfs/dbraw/zinc/49/36/72/565493672.db2.gz BEAMEFBJFVCEPB-GFCCVEGCSA-N 1 0 382.258 3.104 20 5 GGBDRO COc1ccccc1[C@@H](CNc1ncc([N+](=O)[O-])cc1Br)[NH+](C)C ZINC000301558008 565496255 /nfs/dbraw/zinc/49/62/55/565496255.db2.gz STZAOVNLUJOFBV-CQSZACIVSA-N 1 0 395.257 3.476 20 5 GGBDRO C[C@H]1C[NH+](CCCCNc2ncc([N+](=O)[O-])cc2Br)C[C@H](C)O1 ZINC000301659636 565502194 /nfs/dbraw/zinc/50/21/94/565502194.db2.gz TWCCLMITUKVXIG-RYUDHWBXSA-N 1 0 387.278 3.054 20 5 GGBDRO C[C@H]1C[NH+](CCCCNc2ncc(Br)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301661706 565502333 /nfs/dbraw/zinc/50/23/33/565502333.db2.gz KCTKTEIBGVNAAZ-RYUDHWBXSA-N 1 0 387.278 3.054 20 5 GGBDRO O=[N+]([O-])c1cc(Br)cnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC000301675227 565503048 /nfs/dbraw/zinc/50/30/48/565503048.db2.gz HGILXAHSTGDTRT-UHFFFAOYSA-N 1 0 391.269 3.117 20 5 GGBDRO O=[N+]([O-])c1cc(Br)cnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000301680041 565504633 /nfs/dbraw/zinc/50/46/33/565504633.db2.gz JGQKZWOVBDQBCL-UHFFFAOYSA-N 1 0 391.269 3.465 20 5 GGBDRO O=[N+]([O-])c1cncc(Br)c1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000301872576 565515870 /nfs/dbraw/zinc/51/58/70/565515870.db2.gz DFNLUSNVOFILOP-RISCZKNCSA-N 1 0 381.274 3.205 20 5 GGBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3Br)C2)CC1 ZINC000277783244 565519687 /nfs/dbraw/zinc/51/96/87/565519687.db2.gz ZLGRUICNZUOJLT-ZDUSSCGKSA-N 1 0 396.285 3.161 20 5 GGBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000378286169 565520431 /nfs/dbraw/zinc/52/04/31/565520431.db2.gz RXLUNHJMNUDVHV-RYUDHWBXSA-N 1 0 383.246 3.106 20 5 GGBDRO CCN1CC[NH+](C[C@H](C)CNc2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000302609274 565547826 /nfs/dbraw/zinc/54/78/26/565547826.db2.gz BGXPYMBALFFIEZ-CYBMUJFWSA-N 1 0 385.306 3.043 20 5 GGBDRO CC[NH+]1CCN([C@@H](C)CNc2cc(C)c([N+](=O)[O-])cc2Br)CC1 ZINC000302664755 565548380 /nfs/dbraw/zinc/54/83/80/565548380.db2.gz JANBQOTZKMZBPB-ZDUSSCGKSA-N 1 0 385.306 3.104 20 5 GGBDRO Cc1c(Br)c(N2CCN(Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000310406025 565578305 /nfs/dbraw/zinc/57/83/05/565578305.db2.gz VSNQPMWNSQTWTI-UHFFFAOYSA-N 1 0 391.269 3.383 20 5 GGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000173810392 565588243 /nfs/dbraw/zinc/58/82/43/565588243.db2.gz BVUGZOOXHWHWSY-LBPRGKRZSA-N 1 0 384.274 3.161 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000408004904 565590597 /nfs/dbraw/zinc/59/05/97/565590597.db2.gz ZWKTVSCGKSZQGI-WBMJQRKESA-N 1 0 396.285 3.222 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000408004902 565590903 /nfs/dbraw/zinc/59/09/03/565590903.db2.gz ZWKTVSCGKSZQGI-MLGOLLRUSA-N 1 0 396.285 3.222 20 5 GGBDRO CC(C)(CNC(=O)c1sc(Br)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000279053901 565593211 /nfs/dbraw/zinc/59/32/11/565593211.db2.gz MOHQQOHRKJQZNY-UHFFFAOYSA-N 1 0 390.303 3.271 20 5 GGBDRO O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000322099245 565607752 /nfs/dbraw/zinc/60/77/52/565607752.db2.gz DFEQJDDASOJDKY-LBPRGKRZSA-N 1 0 382.258 3.058 20 5 GGBDRO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279430466 565612314 /nfs/dbraw/zinc/61/23/14/565612314.db2.gz GOHFQEJHQMNQOY-KGLIPLIRSA-N 1 0 380.388 3.059 20 5 GGBDRO Cc1c(Br)cc(C(=O)NCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000409590693 565626870 /nfs/dbraw/zinc/62/68/70/565626870.db2.gz ITZOMWLWDLSHDT-UHFFFAOYSA-N 1 0 384.274 3.272 20 5 GGBDRO [NH3+]CCC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000327769551 565632999 /nfs/dbraw/zinc/63/29/99/565632999.db2.gz SDHJZQYFPKTEKD-HNNXBMFYSA-N 1 0 383.857 3.007 20 5 GGBDRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cccc([N+](=O)[O-])c1Br ZINC000192362135 565682657 /nfs/dbraw/zinc/68/26/57/565682657.db2.gz KTIVMDVHAPFNPX-UHFFFAOYSA-N 1 0 396.285 3.494 20 5 GGBDRO Cc1c(NC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc(Br)cc1[N+](=O)[O-] ZINC000280740082 565692650 /nfs/dbraw/zinc/69/26/50/565692650.db2.gz LKPGMXVWVJFXMO-ABAIWWIYSA-N 1 0 397.273 3.224 20 5 GGBDRO Cc1c(NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc(Br)cc1[N+](=O)[O-] ZINC000280740087 565692950 /nfs/dbraw/zinc/69/29/50/565692950.db2.gz LKPGMXVWVJFXMO-NHYWBVRUSA-N 1 0 397.273 3.224 20 5 GGBDRO O=C(OCc1ccc([N+](=O)[O-])cc1Br)C1CC[NH+](C2CC2)CC1 ZINC000192587792 565700696 /nfs/dbraw/zinc/70/06/96/565700696.db2.gz OZJPMSRIBNJYIW-UHFFFAOYSA-N 1 0 383.242 3.275 20 5 GGBDRO Cn1c(Sc2ccc([N+](=O)[O-])cc2Br)nnc1[C@@H]1CCC[NH2+]C1 ZINC000280974867 565705200 /nfs/dbraw/zinc/70/52/00/565705200.db2.gz HZFFRYTZFPFKCQ-SECBINFHSA-N 1 0 398.286 3.104 20 5 GGBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000331517945 565764410 /nfs/dbraw/zinc/76/44/10/565764410.db2.gz DQHJRWCNHFODCI-OCCSQVGLSA-N 1 0 383.901 3.426 20 5 GGBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412264210 565776800 /nfs/dbraw/zinc/77/68/00/565776800.db2.gz CRBWNBRLDWNQDK-OAHLLOKOSA-N 1 0 383.901 3.082 20 5 GGBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[N@H+](CC2CCC2)CC1 ZINC000412304926 565780193 /nfs/dbraw/zinc/78/01/93/565780193.db2.gz BNAKHNLVQRFPKJ-UHFFFAOYSA-N 1 0 396.285 3.305 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000332089922 565804879 /nfs/dbraw/zinc/80/48/79/565804879.db2.gz UWSYIOSTPHOLMF-LRDDRELGSA-N 1 0 396.285 3.365 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000332089921 565805387 /nfs/dbraw/zinc/80/53/87/565805387.db2.gz UWSYIOSTPHOLMF-BLLLJJGKSA-N 1 0 396.285 3.365 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccs1 ZINC000176924119 565814832 /nfs/dbraw/zinc/81/48/32/565814832.db2.gz HHONKRLGECIQMN-ZDUSSCGKSA-N 1 0 398.282 3.452 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176927076 565815346 /nfs/dbraw/zinc/81/53/46/565815346.db2.gz AEGJJUBZECTJAL-LBPRGKRZSA-N 1 0 384.274 3.352 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000332209765 565815845 /nfs/dbraw/zinc/81/58/45/565815845.db2.gz RYAWIEFBFOOUOP-BXUZGUMPSA-N 1 0 396.285 3.365 20 5 GGBDRO C[NH+](C)Cc1ccnc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c1 ZINC000176934144 565815939 /nfs/dbraw/zinc/81/59/39/565815939.db2.gz WMTRETBFPIJZCM-UHFFFAOYSA-N 1 0 379.214 3.066 20 5 GGBDRO CC[NH+](CC)CCSCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000176948187 565817179 /nfs/dbraw/zinc/81/71/79/565817179.db2.gz VYPACTZJTXNKQQ-UHFFFAOYSA-N 1 0 390.303 3.371 20 5 GGBDRO Cc1c(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000332234255 565819310 /nfs/dbraw/zinc/81/93/10/565819310.db2.gz PJOZUNMEPOJZJF-DRZSPHRISA-N 1 0 397.273 3.257 20 5 GGBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177024532 565824191 /nfs/dbraw/zinc/82/41/91/565824191.db2.gz ALDYSCUOIGBHKX-NWDGAFQWSA-N 1 0 384.274 3.208 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000332308310 565827622 /nfs/dbraw/zinc/82/76/22/565827622.db2.gz MATLBPRZWLVUOF-HUUCEWRRSA-N 1 0 382.258 3.022 20 5 GGBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC([NH+]2CCCC2)CC1 ZINC000177096150 565828358 /nfs/dbraw/zinc/82/83/58/565828358.db2.gz MQLRGJRTKFNWLJ-UHFFFAOYSA-N 1 0 382.258 3.058 20 5 GGBDRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000332496227 565840241 /nfs/dbraw/zinc/84/02/41/565840241.db2.gz BVULCPCLHYJHGU-AAEUAGOBSA-N 1 0 382.258 3.056 20 5 GGBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000332509484 565841614 /nfs/dbraw/zinc/84/16/14/565841614.db2.gz HJBWBXKZZMAYRG-BXUZGUMPSA-N 1 0 382.258 3.056 20 5 GGBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000332595747 565846368 /nfs/dbraw/zinc/84/63/68/565846368.db2.gz GQMLTZGJCUSYAB-CHWSQXEVSA-N 1 0 382.258 3.056 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000284226905 565847057 /nfs/dbraw/zinc/84/70/57/565847057.db2.gz DQWIDEFKGLEWFB-BONVTDFDSA-N 1 0 384.274 3.078 20 5 GGBDRO Cc1c(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000332608410 565847143 /nfs/dbraw/zinc/84/71/43/565847143.db2.gz FJJZEEOKRCRUAP-GXFFZTMASA-N 1 0 397.273 3.366 20 5 GGBDRO Cc1c(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000332608419 565847442 /nfs/dbraw/zinc/84/74/42/565847442.db2.gz FJJZEEOKRCRUAP-ZWNOBZJWSA-N 1 0 397.273 3.366 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000284434124 565853847 /nfs/dbraw/zinc/85/38/47/565853847.db2.gz UCMCMMXOXDIJTE-ZDUSSCGKSA-N 1 0 396.285 3.224 20 5 GGBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000236630478 565940922 /nfs/dbraw/zinc/94/09/22/565940922.db2.gz ATZUMZFDVLRZRI-UHFFFAOYSA-N 1 0 398.282 3.329 20 5 GGBDRO CC[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)[C@H](O)C(C)C ZINC000414525415 565945697 /nfs/dbraw/zinc/94/56/97/565945697.db2.gz JQBHAQIWMZAEKB-ZIAGYGMSSA-N 1 0 392.237 3.085 20 5 GGBDRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000236870071 565946815 /nfs/dbraw/zinc/94/68/15/565946815.db2.gz ZSZLMDPCUHJOLB-UHFFFAOYSA-N 1 0 396.296 3.054 20 5 GGBDRO CCS(=O)(=O)CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414547596 565946986 /nfs/dbraw/zinc/94/69/86/565946986.db2.gz VYAGVNARLLRDOJ-UHFFFAOYSA-N 1 0 386.857 3.423 20 5 GGBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2C[C@H]2c2ccco2)c1 ZINC000414581161 565951466 /nfs/dbraw/zinc/95/14/66/565951466.db2.gz KKECXHLTEDYBQO-CHWSQXEVSA-N 1 0 384.173 3.438 20 5 GGBDRO CNC(=O)CC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000179410623 565979961 /nfs/dbraw/zinc/97/99/61/565979961.db2.gz XCWLSYGWBJAUSO-UHFFFAOYSA-N 1 0 396.241 3.185 20 5 GGBDRO CC(C)CC[NH+]1CCC(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000179604374 565992868 /nfs/dbraw/zinc/99/28/68/565992868.db2.gz XYWVKOBBDDJQIL-UHFFFAOYSA-N 1 0 389.543 3.230 20 5 GGBDRO Cc1c(Br)cc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000245501510 565993052 /nfs/dbraw/zinc/99/30/52/565993052.db2.gz AUYCAPKSURGLPF-YGRLFVJLSA-N 1 0 384.274 3.078 20 5 GGBDRO CN(C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000287212396 566004339 /nfs/dbraw/zinc/00/43/39/566004339.db2.gz UVTHNWFGBWBXBR-FUNVUKJBSA-N 1 0 397.273 3.446 20 5 GGBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000287336753 566012684 /nfs/dbraw/zinc/01/26/84/566012684.db2.gz VSFBBVDXSBZEIX-IAQYHMDHSA-N 1 0 382.258 3.056 20 5 GGBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000287336756 566012749 /nfs/dbraw/zinc/01/27/49/566012749.db2.gz VSFBBVDXSBZEIX-NHYWBVRUSA-N 1 0 382.258 3.056 20 5 GGBDRO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[N@@H+]1CCC[C@H](C)C1 ZINC000246077530 566016042 /nfs/dbraw/zinc/01/60/42/566016042.db2.gz JYJWSZBUSNDNOU-QWHCGFSZSA-N 1 0 398.301 3.136 20 5 GGBDRO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[N@@H+]1CCC[C@@H](C)C1 ZINC000246077522 566016508 /nfs/dbraw/zinc/01/65/08/566016508.db2.gz JYJWSZBUSNDNOU-CHWSQXEVSA-N 1 0 398.301 3.136 20 5 GGBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000287415935 566016687 /nfs/dbraw/zinc/01/66/87/566016687.db2.gz ZTFOCUQBAUOWRK-NHYWBVRUSA-N 1 0 382.258 3.056 20 5 GGBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000246156470 566018690 /nfs/dbraw/zinc/01/86/90/566018690.db2.gz IFMKNVXAWQGACI-OLZOCXBDSA-N 1 0 398.301 3.136 20 5 GGBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000246265529 566024631 /nfs/dbraw/zinc/02/46/31/566024631.db2.gz ZNKHJPXCOYJHNS-RYUDHWBXSA-N 1 0 384.274 3.208 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000364021245 566030993 /nfs/dbraw/zinc/03/09/93/566030993.db2.gz IJRGTOOQICRGEM-GFCCVEGCSA-N 1 0 393.241 3.029 20 5 GGBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000247069358 566051461 /nfs/dbraw/zinc/05/14/61/566051461.db2.gz PREDRLWEQMGKDG-UPJWGTAASA-N 1 0 398.301 3.454 20 5 GGBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000288146542 566058423 /nfs/dbraw/zinc/05/84/23/566058423.db2.gz KVKLTIDRWSTANA-WCQYABFASA-N 1 0 382.258 3.056 20 5 GGBDRO COC(=O)CC1([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCOCC1 ZINC000289441988 566122503 /nfs/dbraw/zinc/12/25/03/566122503.db2.gz ZBIPOMNILNNMNM-UHFFFAOYSA-N 1 0 377.224 3.104 20 5 GGBDRO Cc1cc(N2CCn3c(Br)cnc3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000289620102 566131564 /nfs/dbraw/zinc/13/15/64/566131564.db2.gz LPJMWGDWKWDLEB-UHFFFAOYSA-N 1 0 388.225 3.431 20 5 GGBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000181363104 566135821 /nfs/dbraw/zinc/13/58/21/566135821.db2.gz WGZORZXTTQWLQL-SWLSCSKDSA-N 1 0 395.253 3.448 20 5 GGBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000181361122 566135953 /nfs/dbraw/zinc/13/59/53/566135953.db2.gz SGUNENLMDAABAH-IUODEOHRSA-N 1 0 395.253 3.448 20 5 GGBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000181363084 566136476 /nfs/dbraw/zinc/13/64/76/566136476.db2.gz WGZORZXTTQWLQL-DOMZBBRYSA-N 1 0 395.253 3.448 20 5 GGBDRO CC[NH+]1CCN([C@@H]2CCN(Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)CC1 ZINC000289750848 566138925 /nfs/dbraw/zinc/13/89/25/566138925.db2.gz IVQNECZHLPDJLR-OAHLLOKOSA-N 1 0 387.311 3.113 20 5 GGBDRO C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C[C@@H]1[NH3+] ZINC000261988051 566142900 /nfs/dbraw/zinc/14/29/00/566142900.db2.gz JYAQGNSCZYVGPK-BMIGLBTASA-N 1 0 380.242 3.396 20 5 GGBDRO C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C[C@H]1[NH3+] ZINC000261988053 566142975 /nfs/dbraw/zinc/14/29/75/566142975.db2.gz JYAQGNSCZYVGPK-MEBBXXQBSA-N 1 0 380.242 3.396 20 5 GGBDRO Cc1c(Br)cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000366603400 566160478 /nfs/dbraw/zinc/16/04/78/566160478.db2.gz MTRXJOCEQZACFL-OLZOCXBDSA-N 1 0 382.258 3.022 20 5 GGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Br)cn2)cc1[N+](=O)[O-] ZINC000181815144 566166943 /nfs/dbraw/zinc/16/69/43/566166943.db2.gz NWKJOKHZRDXBAC-LLVKDONJSA-N 1 0 393.241 3.350 20 5 GGBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000182175932 566187964 /nfs/dbraw/zinc/18/79/64/566187964.db2.gz ILONNGMKUFBYSX-IUODEOHRSA-N 1 0 395.253 3.448 20 5 GGBDRO CCCC[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000182656040 566217550 /nfs/dbraw/zinc/21/75/50/566217550.db2.gz VJWYGIZAGQJYLO-UHFFFAOYSA-N 1 0 384.274 3.352 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)c1cccs1 ZINC000182660820 566218140 /nfs/dbraw/zinc/21/81/40/566218140.db2.gz WDMGDNXWZOXFIU-GFCCVEGCSA-N 1 0 398.282 3.452 20 5 GGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C1CCN(c2cccnn2)CC1 ZINC000291693543 566230672 /nfs/dbraw/zinc/23/06/72/566230672.db2.gz YHLXHAVMUGAXFZ-UHFFFAOYSA-N 1 0 382.251 3.450 20 5 GGBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC(c2ncc[nH]2)CC1 ZINC000265765563 566241323 /nfs/dbraw/zinc/24/13/23/566241323.db2.gz HGMDHYIQNHLHAK-UHFFFAOYSA-N 1 0 379.214 3.100 20 5 GGBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)c1 ZINC000481749682 566250942 /nfs/dbraw/zinc/25/09/42/566250942.db2.gz XBGWZVDONDVWON-HNNXBMFYSA-N 1 0 383.221 3.434 20 5 GGBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000599391164 566261530 /nfs/dbraw/zinc/26/15/30/566261530.db2.gz NTCZUQZEQLCQLL-GFCCVEGCSA-N 1 0 382.258 3.058 20 5 GGBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H](CO)c2ccccc2)c1 ZINC000575321045 566266383 /nfs/dbraw/zinc/26/63/83/566266383.db2.gz QBTNNIYERIEOKT-OAHLLOKOSA-N 1 0 398.200 3.023 20 5 GGBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cc(F)c(Br)cc1F ZINC000599542533 566274174 /nfs/dbraw/zinc/27/41/74/566274174.db2.gz VKUCDEILEQZYNY-QMMMGPOBSA-N 1 0 375.173 3.183 20 5 GGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599597685 566279082 /nfs/dbraw/zinc/27/90/82/566279082.db2.gz KWMAJDSFJDRSGA-GFCCVEGCSA-N 1 0 384.274 3.304 20 5 GGBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000599601090 566279239 /nfs/dbraw/zinc/27/92/39/566279239.db2.gz QTWDVRIJQPQESR-CYBMUJFWSA-N 1 0 396.285 3.305 20 5 GGBDRO O=c1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])c[nH]1 ZINC000599631731 566280991 /nfs/dbraw/zinc/28/09/91/566280991.db2.gz YJQUXHXARJEBMT-CJNGLKHVSA-N 1 0 394.225 3.078 20 5 GGBDRO C[C@H](CCNC(=O)c1c(Br)cccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000599754032 566292770 /nfs/dbraw/zinc/29/27/70/566292770.db2.gz AYALZBUQRDRBQX-GFCCVEGCSA-N 1 0 384.274 3.352 20 5 GGBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000575918167 566298798 /nfs/dbraw/zinc/29/87/98/566298798.db2.gz NVDCPAPIXRJZJS-HZPDHXFCSA-N 1 0 398.301 3.090 20 5 GGBDRO C[NH+](C)C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCCCC1 ZINC000445642275 566303905 /nfs/dbraw/zinc/30/39/05/566303905.db2.gz AYPCNFFTVHUDCV-UHFFFAOYSA-N 1 0 398.301 3.281 20 5 GGBDRO O=[N+]([O-])c1cccc(C[NH2+]CCOc2ccc(I)cc2)c1 ZINC000509441453 566305638 /nfs/dbraw/zinc/30/56/38/566305638.db2.gz XRAUFFYPIPPITD-UHFFFAOYSA-N 1 0 398.200 3.368 20 5 GGBDRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000445700463 566305706 /nfs/dbraw/zinc/30/57/06/566305706.db2.gz VKLOGEKNKLQISD-UHFFFAOYSA-N 1 0 396.296 3.006 20 5 GGBDRO O=C(NC1CC[NH+](C2CCC2)CC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000600000529 566309171 /nfs/dbraw/zinc/30/91/71/566309171.db2.gz DSZBWQNEABVUBM-UHFFFAOYSA-N 1 0 382.258 3.104 20 5 GGBDRO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[N@@H+]1CCCC[C@H]1C ZINC000445823054 566312772 /nfs/dbraw/zinc/31/27/72/566312772.db2.gz ZYOJQNAQCNBYKK-OLZOCXBDSA-N 1 0 398.301 3.279 20 5 GGBDRO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[N@@H+]1CCCC[C@@H]1C ZINC000445823056 566314438 /nfs/dbraw/zinc/31/44/38/566314438.db2.gz ZYOJQNAQCNBYKK-STQMWFEESA-N 1 0 398.301 3.279 20 5 GGBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000600087530 566314810 /nfs/dbraw/zinc/31/48/10/566314810.db2.gz MQVKCNBADZJFOY-LLVKDONJSA-N 1 0 384.274 3.208 20 5 GGBDRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000600119635 566318024 /nfs/dbraw/zinc/31/80/24/566318024.db2.gz QZPLKYMLHKPSDL-CYBMUJFWSA-N 1 0 396.285 3.209 20 5 GGBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445884496 566318137 /nfs/dbraw/zinc/31/81/37/566318137.db2.gz JQWBBFAJQCKEGS-CYBMUJFWSA-N 1 0 381.230 3.009 20 5 GGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC000576164252 566321889 /nfs/dbraw/zinc/32/18/89/566321889.db2.gz QMBCLXWYZLTCJP-AWEZNQCLSA-N 1 0 386.539 3.413 20 5 GGBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000509691803 566329441 /nfs/dbraw/zinc/32/94/41/566329441.db2.gz FAGWJBZOAHXMAT-LBPRGKRZSA-N 1 0 384.274 3.127 20 5 GGBDRO Cc1c(Br)cc(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000600313908 566332999 /nfs/dbraw/zinc/33/29/99/566332999.db2.gz LJOYASKPDWNQJU-LBPRGKRZSA-N 1 0 384.274 3.127 20 5 GGBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000482956407 566344665 /nfs/dbraw/zinc/34/46/65/566344665.db2.gz GQXGEEORDZBKJD-NSHDSACASA-N 1 0 393.241 3.432 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3C[C@@H](CO)C3)o2)c(Br)c1 ZINC000601139580 566392076 /nfs/dbraw/zinc/39/20/76/566392076.db2.gz GFWSDNSIFISUAG-PHIMTYICSA-N 1 0 381.226 3.478 20 5 GGBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(c3c(Cl)cccc3Cl)CCC2)c1 ZINC000447393794 566407101 /nfs/dbraw/zinc/40/71/01/566407101.db2.gz KMOXLCFIBZQCEE-LBPRGKRZSA-N 1 0 385.251 3.128 20 5 GGBDRO C[N@H+](Cc1ccccc1)C1CN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000557737412 566412768 /nfs/dbraw/zinc/41/27/68/566412768.db2.gz XHEZJYLMQRTBAK-UHFFFAOYSA-N 1 0 377.242 3.073 20 5 GGBDRO C[N@@H+]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000557741320 566413980 /nfs/dbraw/zinc/41/39/80/566413980.db2.gz KMVQZBBANVUPMY-OAHLLOKOSA-N 1 0 391.269 3.115 20 5 GGBDRO CCC1([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCOCC1 ZINC000577445267 566435473 /nfs/dbraw/zinc/43/54/73/566435473.db2.gz QDRSDRFPWHLFIL-UHFFFAOYSA-N 1 0 390.221 3.248 20 5 GGBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000448424207 566472912 /nfs/dbraw/zinc/47/29/12/566472912.db2.gz JAIWNBGWQKCQKP-CYBMUJFWSA-N 1 0 398.301 3.455 20 5 GGBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000602496991 566473499 /nfs/dbraw/zinc/47/34/99/566473499.db2.gz XWWAEOCUQVPUAZ-OLZOCXBDSA-N 1 0 396.285 3.209 20 5 GGBDRO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@@H]1CCCOC1 ZINC000558457612 566475100 /nfs/dbraw/zinc/47/51/00/566475100.db2.gz YRVQGHXTVLJBOH-NSHDSACASA-N 1 0 390.221 3.058 20 5 GGBDRO Cc1ncc2c(n1)CC[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C2 ZINC000602508086 566475796 /nfs/dbraw/zinc/47/57/96/566475796.db2.gz LIERXCKTIRSGNN-SNVBAGLBSA-N 1 0 383.271 3.164 20 5 GGBDRO O=[N+]([O-])c1sc(C[NH2+][C@H]2CCN(CC(F)(F)F)C2)cc1Br ZINC000602533068 566476137 /nfs/dbraw/zinc/47/61/37/566476137.db2.gz NLNFKNKMCXVZRA-ZETCQYMHSA-N 1 0 388.209 3.145 20 5 GGBDRO C[C@@H](COCC(F)(F)F)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602532146 566476313 /nfs/dbraw/zinc/47/63/13/566476313.db2.gz DPARWFRCEZUWGB-LURJTMIESA-N 1 0 377.182 3.476 20 5 GGBDRO CN(C)C(=O)C1(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCCC1 ZINC000602543835 566478484 /nfs/dbraw/zinc/47/84/84/566478484.db2.gz AQDDNLLWBYPIOO-UHFFFAOYSA-N 1 0 390.303 3.157 20 5 GGBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H]2CCN(c3ccccn3)C2)cc1Br ZINC000602575414 566479600 /nfs/dbraw/zinc/47/96/00/566479600.db2.gz HHHFPOOCZTUDKX-SNVBAGLBSA-N 1 0 383.271 3.182 20 5 GGBDRO C[NH+](C)CCOc1ccccc1CNc1ncc([N+](=O)[O-])cc1Br ZINC000485211521 566483910 /nfs/dbraw/zinc/48/39/10/566483910.db2.gz SPQBKEHJKBAKOP-UHFFFAOYSA-N 1 0 395.257 3.305 20 5 GGBDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602668850 566485664 /nfs/dbraw/zinc/48/56/64/566485664.db2.gz GIILXBBJJVMXPX-VIFPVBQESA-N 1 0 378.292 3.061 20 5 GGBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@H](CO)c2ccc(F)cc2)cc1Br ZINC000602689418 566487409 /nfs/dbraw/zinc/48/74/09/566487409.db2.gz HJXFJVKOHNWTEI-SNVBAGLBSA-N 1 0 389.246 3.424 20 5 GGBDRO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602705291 566489341 /nfs/dbraw/zinc/48/93/41/566489341.db2.gz FQXTUDKCOZDWKB-HJWVJXLVSA-N 1 0 381.317 3.198 20 5 GGBDRO C[NH2+]CCCN(C)C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000424033917 566504622 /nfs/dbraw/zinc/50/46/22/566504622.db2.gz PSCPUHWAZRCRTE-UHFFFAOYSA-N 1 0 380.495 3.192 20 5 GGBDRO Cc1c([C@H]2OCC[C@@H]2[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])cnn1C ZINC000424102144 566512711 /nfs/dbraw/zinc/51/27/11/566512711.db2.gz ZVPFSRRBHVDXRJ-GOEBONIOSA-N 1 0 395.257 3.019 20 5 GGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCOCC3)CC2)c(Br)c1 ZINC000603408329 566524858 /nfs/dbraw/zinc/52/48/58/566524858.db2.gz LXCNYVCXTTUTDB-UHFFFAOYSA-N 1 0 384.274 3.413 20 5 GGBDRO COC[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)OC ZINC000512392295 566530501 /nfs/dbraw/zinc/53/05/01/566530501.db2.gz UCEBMUMIBSDJPC-ZDUSSCGKSA-N 1 0 399.241 3.368 20 5 GGBDRO COC[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)OC ZINC000512392294 566530870 /nfs/dbraw/zinc/53/08/70/566530870.db2.gz UCEBMUMIBSDJPC-CYBMUJFWSA-N 1 0 399.241 3.368 20 5 GGBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cc(F)cc(Br)c1 ZINC000485831715 566531073 /nfs/dbraw/zinc/53/10/73/566531073.db2.gz QBFBYGXNIUUDFC-HNNXBMFYSA-N 1 0 398.232 3.399 20 5 GGBDRO C[NH+]1CCC(CNc2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC000485841348 566532135 /nfs/dbraw/zinc/53/21/35/566532135.db2.gz HVKSNFFHSNHOFM-UHFFFAOYSA-N 1 0 379.258 3.081 20 5 GGBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@H]2CCCSC2)c1 ZINC000578562036 566533932 /nfs/dbraw/zinc/53/39/32/566533932.db2.gz ZUCVBQKKKCOUJS-SNVBAGLBSA-N 1 0 392.262 3.432 20 5 GGBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000603864646 566543633 /nfs/dbraw/zinc/54/36/33/566543633.db2.gz GKFAQIIHZVDCBR-OLZOCXBDSA-N 1 0 391.269 3.366 20 5 GGBDRO CC1CC[NH+](CCCCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000604033460 566551821 /nfs/dbraw/zinc/55/18/21/566551821.db2.gz ZYPQBUUXVDPVJF-UHFFFAOYSA-N 1 0 389.905 3.039 20 5 GGBDRO CCOC(C)(C)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000578923985 566565329 /nfs/dbraw/zinc/56/53/29/566565329.db2.gz IIQLVXCOPQAVPS-UHFFFAOYSA-N 1 0 378.210 3.104 20 5 GGBDRO COCC(COC)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000449543200 566574991 /nfs/dbraw/zinc/57/49/91/566574991.db2.gz NVXVAQQXIJITDE-UHFFFAOYSA-N 1 0 399.241 3.368 20 5 GGBDRO C[NH+](C)CCc1ccc(CNc2ncc([N+](=O)[O-])cc2Br)cc1 ZINC000466436033 566575334 /nfs/dbraw/zinc/57/53/34/566575334.db2.gz CQCPEWAEUWUKEB-UHFFFAOYSA-N 1 0 379.258 3.469 20 5 GGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)c1 ZINC000449603336 566582465 /nfs/dbraw/zinc/58/24/65/566582465.db2.gz VXBLFPSRQAEIKC-ZDUSSCGKSA-N 1 0 397.244 3.437 20 5 GGBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C[C@H]1C ZINC000579137090 566583134 /nfs/dbraw/zinc/58/31/34/566583134.db2.gz BHLDUVOZYGVAPD-GHMZBOCLSA-N 1 0 384.274 3.220 20 5 GGBDRO CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000449604746 566584009 /nfs/dbraw/zinc/58/40/09/566584009.db2.gz ULAOUUXONZAUPT-SNVBAGLBSA-N 1 0 396.241 3.232 20 5 GGBDRO CO[C@@H]([C@@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000449628375 566585571 /nfs/dbraw/zinc/58/55/71/566585571.db2.gz IKMWLCDIXACJHZ-OTYXRUKQSA-N 1 0 390.221 3.103 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccsc1 ZINC000466564093 566585734 /nfs/dbraw/zinc/58/57/34/566585734.db2.gz QLCAJGVUKBTFMC-OAHLLOKOSA-N 1 0 382.873 3.412 20 5 GGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)cc1 ZINC000449677822 566588972 /nfs/dbraw/zinc/58/89/72/566588972.db2.gz CTQGRPGTMJOKEL-AWEZNQCLSA-N 1 0 397.244 3.437 20 5 GGBDRO [NH3+]CCN(Cc1cc2c(cc1Br)OCO2)c1ccccc1[N+](=O)[O-] ZINC000579776253 566638908 /nfs/dbraw/zinc/63/89/08/566638908.db2.gz DCQKJVCWXYOWEH-UHFFFAOYSA-N 1 0 394.225 3.051 20 5 GGBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425412752 566640130 /nfs/dbraw/zinc/64/01/30/566640130.db2.gz ALURKYGMAYTBGH-BFYDXBDKSA-N 1 0 398.301 3.041 20 5 GGBDRO O=C(CSCC1CC[NH2+]CC1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000579829616 566643413 /nfs/dbraw/zinc/64/34/13/566643413.db2.gz ULEKKPDNUVPIJB-UHFFFAOYSA-N 1 0 377.388 3.285 20 5 GGBDRO NC(=O)C[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C1CCCCC1 ZINC000425436128 566643785 /nfs/dbraw/zinc/64/37/85/566643785.db2.gz VLCMQMSUZKGXCQ-AWEZNQCLSA-N 1 0 384.274 3.271 20 5 GGBDRO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+](CCO)[C@@H]1CCCSC1 ZINC000425466415 566647444 /nfs/dbraw/zinc/64/74/44/566647444.db2.gz ATWBRZSBAHSHRN-CYBMUJFWSA-N 1 0 375.288 3.047 20 5 GGBDRO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+](CCO)[C@H]1CCCSC1 ZINC000425466420 566647482 /nfs/dbraw/zinc/64/74/82/566647482.db2.gz ATWBRZSBAHSHRN-ZDUSSCGKSA-N 1 0 375.288 3.047 20 5 GGBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000514542556 566653466 /nfs/dbraw/zinc/65/34/66/566653466.db2.gz DMKKEKOEBGSPSG-VXGBXAGGSA-N 1 0 389.905 3.098 20 5 GGBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000541052948 566690987 /nfs/dbraw/zinc/69/09/87/566690987.db2.gz CSEZMOPQRZWPAW-CQSZACIVSA-N 1 0 381.226 3.059 20 5 GGBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCc3ccc(Cl)cc32)cc1 ZINC000580484676 566696324 /nfs/dbraw/zinc/69/63/24/566696324.db2.gz XPLQHANPCSOMQN-KRWDZBQOSA-N 1 0 380.853 3.299 20 5 GGBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000468471221 566704561 /nfs/dbraw/zinc/70/45/61/566704561.db2.gz UDZOSBPBXLWNGI-OAHLLOKOSA-N 1 0 398.301 3.136 20 5 GGBDRO CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515415914 566711346 /nfs/dbraw/zinc/71/13/46/566711346.db2.gz XWOFUOUAEVAKFQ-UKRRQHHQSA-N 1 0 387.267 3.070 20 5 GGBDRO CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515415908 566711358 /nfs/dbraw/zinc/71/13/58/566711358.db2.gz XWOFUOUAEVAKFQ-DZGCQCFKSA-N 1 0 387.267 3.070 20 5 GGBDRO CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515415915 566711660 /nfs/dbraw/zinc/71/16/60/566711660.db2.gz XWOFUOUAEVAKFQ-ZFWWWQNUSA-N 1 0 387.267 3.070 20 5 GGBDRO Cc1c(Br)c(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000488718522 566742446 /nfs/dbraw/zinc/74/24/46/566742446.db2.gz UYJUGJYTSOSWQE-GMXVVIOVSA-N 1 0 383.290 3.227 20 5 GGBDRO CCC(CC)[C@H](O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000562080772 566763550 /nfs/dbraw/zinc/76/35/50/566763550.db2.gz ZZSSGPGIKMDCAH-CQSZACIVSA-N 1 0 392.237 3.086 20 5 GGBDRO CCC(CC)[C@@H](O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000562080771 566764677 /nfs/dbraw/zinc/76/46/77/566764677.db2.gz ZZSSGPGIKMDCAH-AWEZNQCLSA-N 1 0 392.237 3.086 20 5 GGBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H](CO)c2ccc(Br)cc2)c1 ZINC000541983730 566765506 /nfs/dbraw/zinc/76/55/06/566765506.db2.gz RRBDCMXRHNKDQD-MRXNPFEDSA-N 1 0 381.226 3.059 20 5 GGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)c1 ZINC000516761663 566781228 /nfs/dbraw/zinc/78/12/28/566781228.db2.gz KVCYLKQNSMRYHE-HNNXBMFYSA-N 1 0 399.216 3.026 20 5 GGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)c1 ZINC000516761665 566782308 /nfs/dbraw/zinc/78/23/08/566782308.db2.gz KVCYLKQNSMRYHE-OAHLLOKOSA-N 1 0 399.216 3.026 20 5 GGBDRO COCCC(C)(C)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000581518085 566785432 /nfs/dbraw/zinc/78/54/32/566785432.db2.gz LKTYKFXVJIPCLR-UHFFFAOYSA-N 1 0 392.237 3.352 20 5 GGBDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609855094 566789829 /nfs/dbraw/zinc/78/98/29/566789829.db2.gz CHPAYQVRRLEQDW-UHFFFAOYSA-N 1 0 383.901 3.340 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000581655963 566796367 /nfs/dbraw/zinc/79/63/67/566796367.db2.gz XTIFOUXYKPQOPL-UHFFFAOYSA-N 1 0 384.274 3.270 20 5 GGBDRO C[C@@H]1C[NH2+]CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000516970157 566796930 /nfs/dbraw/zinc/79/69/30/566796930.db2.gz AFEFECSIZBRUDE-LLVKDONJSA-N 1 0 380.242 3.411 20 5 GGBDRO C[C@H](CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000542454008 566801559 /nfs/dbraw/zinc/80/15/59/566801559.db2.gz XRCMACRXGSUOIB-GFCCVEGCSA-N 1 0 384.274 3.352 20 5 GGBDRO CO[C@H](C)C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000610134147 566809496 /nfs/dbraw/zinc/80/94/96/566809496.db2.gz OEMGTOPPZVQIIS-LLVKDONJSA-N 1 0 388.262 3.041 20 5 GGBDRO CS(=O)(=O)c1ccc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cc1Cl ZINC000428534503 566851911 /nfs/dbraw/zinc/85/19/11/566851911.db2.gz IPMBQFLMNSKZAE-XQRVVYSFSA-N 1 0 380.853 3.455 20 5 GGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)c1 ZINC000428530074 566851950 /nfs/dbraw/zinc/85/19/50/566851950.db2.gz CIUYTLBWWDECIL-OAHLLOKOSA-N 1 0 379.254 3.298 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC000428535835 566852586 /nfs/dbraw/zinc/85/25/86/566852586.db2.gz IEVTYKRNGFAURL-CYBMUJFWSA-N 1 0 379.254 3.298 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000428535836 566852599 /nfs/dbraw/zinc/85/25/99/566852599.db2.gz IEVTYKRNGFAURL-ZDUSSCGKSA-N 1 0 379.254 3.298 20 5 GGBDRO CS(=O)(=O)c1ccc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cc1Cl ZINC000428534502 566853013 /nfs/dbraw/zinc/85/30/13/566853013.db2.gz IPMBQFLMNSKZAE-GQCTYLIASA-N 1 0 380.853 3.455 20 5 GGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2)cc1 ZINC000428535875 566853025 /nfs/dbraw/zinc/85/30/25/566853025.db2.gz KLIFCIGPWSOLHL-OAHLLOKOSA-N 1 0 379.254 3.298 20 5 GGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)Cc2ccccc2Br)cc1 ZINC000428540400 566854121 /nfs/dbraw/zinc/85/41/21/566854121.db2.gz AMOLLQLOHCGMAC-AWEZNQCLSA-N 1 0 379.254 3.298 20 5 GGBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000470172516 566855302 /nfs/dbraw/zinc/85/53/02/566855302.db2.gz XYGOOZVDXJHSLJ-CQSZACIVSA-N 1 0 382.258 3.104 20 5 GGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2)c(F)c1 ZINC000428552985 566857811 /nfs/dbraw/zinc/85/78/11/566857811.db2.gz WQKFVWOOZBXGNN-CYBMUJFWSA-N 1 0 397.244 3.437 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N[C@@H](C)CCC[NH3+])cc2[N+](=O)[O-])n1 ZINC000582486598 566866769 /nfs/dbraw/zinc/86/67/69/566866769.db2.gz NODHRPWFCHKBIZ-JTQLQIEISA-N 1 0 380.495 3.368 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N[C@H](C)CCC[NH3+])cc2[N+](=O)[O-])n1 ZINC000582486605 566866953 /nfs/dbraw/zinc/86/69/53/566866953.db2.gz NODHRPWFCHKBIZ-SNVBAGLBSA-N 1 0 380.495 3.368 20 5 GGBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)c1ncc([N+](=O)[O-])cc1Br ZINC000470436821 566872814 /nfs/dbraw/zinc/87/28/14/566872814.db2.gz QSEWAOFWRNHIFI-UHFFFAOYSA-N 1 0 397.248 3.460 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCn1cc(Br)cn1 ZINC000582569729 566875472 /nfs/dbraw/zinc/87/54/72/566875472.db2.gz UWPBCKMJMXRZPA-UHFFFAOYSA-N 1 0 383.246 3.132 20 5 GGBDRO C[NH+](C)CCN(Cc1ccccc1)c1ncc([N+](=O)[O-])cc1Br ZINC000470512225 566878400 /nfs/dbraw/zinc/87/84/00/566878400.db2.gz UMGVFEBMBZXMPJ-UHFFFAOYSA-N 1 0 379.258 3.321 20 5 GGBDRO CCOC1CC([N@H+](C)Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000582694367 566885898 /nfs/dbraw/zinc/88/58/98/566885898.db2.gz MASJXLMOVZVVFE-UHFFFAOYSA-N 1 0 390.221 3.199 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc1[N+](=O)[O-] ZINC000611078488 566887085 /nfs/dbraw/zinc/88/70/85/566887085.db2.gz SFRUMTJYBFYLEY-ZDUSSCGKSA-N 1 0 384.274 3.268 20 5 GGBDRO CC[N@@H+]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C[C@@H]1C ZINC000611084548 566887636 /nfs/dbraw/zinc/88/76/36/566887636.db2.gz CSPMVFQXOQPLSE-NSHDSACASA-N 1 0 379.258 3.436 20 5 GGBDRO CC[N@@H+]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C[C@H]1C ZINC000611084547 566888203 /nfs/dbraw/zinc/88/82/03/566888203.db2.gz CSPMVFQXOQPLSE-LLVKDONJSA-N 1 0 379.258 3.436 20 5 GGBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCc3cc(Cl)ccc32)cc1 ZINC000543593773 566893310 /nfs/dbraw/zinc/89/33/10/566893310.db2.gz KALXWUHXIDEYSJ-QGZVFWFLSA-N 1 0 380.853 3.299 20 5 GGBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000611227598 566902198 /nfs/dbraw/zinc/90/21/98/566902198.db2.gz GOFZNMJPXQTUKC-AWEZNQCLSA-N 1 0 391.269 3.463 20 5 GGBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000429038543 566904249 /nfs/dbraw/zinc/90/42/49/566904249.db2.gz WZIPWDIBFWFHBU-AWEZNQCLSA-N 1 0 399.216 3.198 20 5 GGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429140599 566909305 /nfs/dbraw/zinc/90/93/05/566909305.db2.gz YVTCTNXLKHVZGJ-INIZCTEOSA-N 1 0 379.869 3.277 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)NC[C@@H]([NH3+])C(C)C)cc2[N+](=O)[O-])n1 ZINC000429172523 566913161 /nfs/dbraw/zinc/91/31/61/566913161.db2.gz REHXXZYBELLDGL-GFCCVEGCSA-N 1 0 380.495 3.224 20 5 GGBDRO Cc1sc(S(=O)(=O)N(C)C(C)(C)C[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000491832340 566916873 /nfs/dbraw/zinc/91/68/73/566916873.db2.gz PRNVMJOATYQLGX-UHFFFAOYSA-N 1 0 389.543 3.240 20 5 GGBDRO CC(=O)NCC[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000519157579 566924011 /nfs/dbraw/zinc/92/40/11/566924011.db2.gz GOBBGYXOXZFZPN-UHFFFAOYSA-N 1 0 396.241 3.185 20 5 GGBDRO C[NH+](C)CCN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000429406477 566929164 /nfs/dbraw/zinc/92/91/64/566929164.db2.gz PDUGFPOWTGGYEW-UHFFFAOYSA-N 1 0 389.905 3.133 20 5 GGBDRO C[C@H](C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C(F)(F)F ZINC000564007331 566935833 /nfs/dbraw/zinc/93/58/33/566935833.db2.gz ANTIDJRQANTCKI-SSDOTTSWSA-N 1 0 388.127 3.487 20 5 GGBDRO C[C@@H](C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C(F)(F)F ZINC000564007332 566936128 /nfs/dbraw/zinc/93/61/28/566936128.db2.gz ANTIDJRQANTCKI-ZETCQYMHSA-N 1 0 388.127 3.487 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1cc(F)ccc1Br ZINC000564118853 566946760 /nfs/dbraw/zinc/94/67/60/566946760.db2.gz RSKSWMPXYBJJQZ-CYBMUJFWSA-N 1 0 399.216 3.026 20 5 GGBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000544225357 566948107 /nfs/dbraw/zinc/94/81/07/566948107.db2.gz VUVXLSUDLHGBDU-CYBMUJFWSA-N 1 0 383.901 3.473 20 5 GGBDRO C[N@H+](CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000429827175 566954588 /nfs/dbraw/zinc/95/45/88/566954588.db2.gz BBULNHXJZRQKIX-UHFFFAOYSA-N 1 0 392.253 3.219 20 5 GGBDRO Cc1c(Br)c(N2CC[C@@H](C[NH+]3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000544396292 566960953 /nfs/dbraw/zinc/96/09/53/566960953.db2.gz YOFINYGLROACOX-ZDUSSCGKSA-N 1 0 383.290 3.373 20 5 GGBDRO Cc1c(Br)c(N(CC[NH+](C)C)Cc2ccccn2)ncc1[N+](=O)[O-] ZINC000544396249 566961462 /nfs/dbraw/zinc/96/14/62/566961462.db2.gz VTEHREONFZGCPZ-UHFFFAOYSA-N 1 0 394.273 3.024 20 5 GGBDRO COc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(Br)c1O ZINC000544839797 567000601 /nfs/dbraw/zinc/00/06/01/567000601.db2.gz IIHLSPOPNQOXOZ-UHFFFAOYSA-N 1 0 381.226 3.404 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000584048653 567006665 /nfs/dbraw/zinc/00/66/65/567006665.db2.gz ZXMVZUQXFBKUCH-GFCCVEGCSA-N 1 0 399.216 3.026 20 5 GGBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@@H]2CCSC2)c1 ZINC000584165639 567017712 /nfs/dbraw/zinc/01/77/12/567017712.db2.gz VNGLKLPJFYQHSR-VIFPVBQESA-N 1 0 378.235 3.042 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+]CCn2cc(Br)ccc2=O)cc1[N+](=O)[O-] ZINC000453240482 567066552 /nfs/dbraw/zinc/06/65/52/567066552.db2.gz CLEAUVFBVSIXLA-LBPRGKRZSA-N 1 0 380.242 3.178 20 5 GGBDRO Cc1c([C@H](C)[NH2+]CCn2cc(Br)ccc2=O)cccc1[N+](=O)[O-] ZINC000453255262 567069956 /nfs/dbraw/zinc/06/99/56/567069956.db2.gz RPCMPEZMLHURKE-LBPRGKRZSA-N 1 0 380.242 3.178 20 5 GGBDRO CC(C)(C)[C@H](CCO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000584807802 567072169 /nfs/dbraw/zinc/07/21/69/567072169.db2.gz PEMKEXDRRPWXAT-ZDUSSCGKSA-N 1 0 392.237 3.086 20 5 GGBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000585699513 567080589 /nfs/dbraw/zinc/08/05/89/567080589.db2.gz YRSRPKWGUMJGQY-LBPRGKRZSA-N 1 0 384.274 3.270 20 5 GGBDRO C[N@H+](CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000431438774 567081538 /nfs/dbraw/zinc/08/15/38/567081538.db2.gz OBFABNVFKLNTPO-UHFFFAOYSA-N 1 0 392.253 3.219 20 5 GGBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000431500786 567085911 /nfs/dbraw/zinc/08/59/11/567085911.db2.gz TYSNWYSSMDUURM-SMDDNHRTSA-N 1 0 384.274 3.302 20 5 GGBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000431514194 567086742 /nfs/dbraw/zinc/08/67/42/567086742.db2.gz XPBICLAOUBHVRW-ZDUSSCGKSA-N 1 0 396.285 3.161 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1cccc(Cl)c1Cl ZINC000565678380 567089677 /nfs/dbraw/zinc/08/96/77/567089677.db2.gz NNAPZSGTTHDXKD-ZDUSSCGKSA-N 1 0 385.247 3.474 20 5 GGBDRO Cc1ccc(CC[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)nc1 ZINC000453608979 567097154 /nfs/dbraw/zinc/09/71/54/567097154.db2.gz YYJIOSGPXJGKLW-UHFFFAOYSA-N 1 0 397.216 3.235 20 5 GGBDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000565803801 567100867 /nfs/dbraw/zinc/10/08/67/567100867.db2.gz PWVXAFPAKGPMRC-MFKMUULPSA-N 1 0 392.237 3.086 20 5 GGBDRO CC(C)(CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000431760476 567105837 /nfs/dbraw/zinc/10/58/37/567105837.db2.gz RUXNDCIXJGELEI-UHFFFAOYSA-N 1 0 384.274 3.352 20 5 GGBDRO C[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000431768422 567107339 /nfs/dbraw/zinc/10/73/39/567107339.db2.gz KNCCJHPTEANMRV-VXGBXAGGSA-N 1 0 384.274 3.208 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000588336591 567126793 /nfs/dbraw/zinc/12/67/93/567126793.db2.gz XCAOAGCMHZZVRI-LBPRGKRZSA-N 1 0 384.274 3.268 20 5 GGBDRO C[N@H+]1CC=C(CNc2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC000546887935 567167976 /nfs/dbraw/zinc/16/79/76/567167976.db2.gz MGQJMHMKCSFYAJ-UHFFFAOYSA-N 1 0 377.242 3.001 20 5 GGBDRO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000546885833 567168026 /nfs/dbraw/zinc/16/80/26/567168026.db2.gz MYYQSXDZDBCOMD-OAHLLOKOSA-N 1 0 382.247 3.130 20 5 GGBDRO C[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1cccnc1 ZINC000589257945 567169570 /nfs/dbraw/zinc/16/95/70/567169570.db2.gz HQVMVSWLBXRXEQ-SNVBAGLBSA-N 1 0 383.189 3.445 20 5 GGBDRO CC(C)(C)C[N@H+](CCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589253952 567169836 /nfs/dbraw/zinc/16/98/36/567169836.db2.gz OYNHAOPBXXGJFA-UHFFFAOYSA-N 1 0 392.237 3.040 20 5 GGBDRO C[N@H+](CCOC(C)(C)C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589255587 567170194 /nfs/dbraw/zinc/17/01/94/567170194.db2.gz UDDJAXJKISFWGA-UHFFFAOYSA-N 1 0 392.237 3.446 20 5 GGBDRO C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589314602 567174562 /nfs/dbraw/zinc/17/45/62/567174562.db2.gz FJLVATFDOICVLH-WDEREUQCSA-N 1 0 390.221 3.104 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2cc(Br)ccc2F)c1 ZINC000566632474 567174965 /nfs/dbraw/zinc/17/49/65/567174965.db2.gz FVWVYEHOOUUDOS-AWEZNQCLSA-N 1 0 399.216 3.026 20 5 GGBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2CCC(F)(F)C2)c1 ZINC000589315657 567174993 /nfs/dbraw/zinc/17/49/93/567174993.db2.gz MSEXNQZVSGVMBL-SNVBAGLBSA-N 1 0 382.148 3.477 20 5 GGBDRO C[C@H](C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1ccncc1 ZINC000589315349 567175477 /nfs/dbraw/zinc/17/54/77/567175477.db2.gz LBYDNTLUAIQXOV-LLVKDONJSA-N 1 0 397.216 3.488 20 5 GGBDRO CSC1(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC[NH+](C)CC1 ZINC000589477718 567180482 /nfs/dbraw/zinc/18/04/82/567180482.db2.gz HKDHAUCMEZCJNQ-CYBMUJFWSA-N 1 0 383.539 3.019 20 5 GGBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000498550681 567185958 /nfs/dbraw/zinc/18/59/58/567185958.db2.gz QSUOGXCFBJJIRI-GHMZBOCLSA-N 1 0 384.274 3.220 20 5 GGBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000498550687 567186299 /nfs/dbraw/zinc/18/62/99/567186299.db2.gz QSUOGXCFBJJIRI-QWRGUYRKSA-N 1 0 384.274 3.220 20 5 GGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)n1 ZINC000433320748 567242521 /nfs/dbraw/zinc/24/25/21/567242521.db2.gz SWNBEZRSCUELPG-AWEZNQCLSA-N 1 0 379.258 3.118 20 5 GGBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCCCC(F)(F)C2)cc1 ZINC000567708848 567270589 /nfs/dbraw/zinc/27/05/89/567270589.db2.gz XXAILGNPCHGQAZ-ZDUSSCGKSA-N 1 0 376.425 3.174 20 5 GGBDRO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000567795713 567279185 /nfs/dbraw/zinc/27/91/85/567279185.db2.gz KASYVMZZQXUVTF-AWEZNQCLSA-N 1 0 390.221 3.200 20 5 GGBDRO [NH3+]CCCN(CC1CCCC1)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000567836368 567280976 /nfs/dbraw/zinc/28/09/76/567280976.db2.gz WIHVJANZMSNGBU-UHFFFAOYSA-N 1 0 384.274 3.339 20 5 GGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000591744595 567293703 /nfs/dbraw/zinc/29/37/03/567293703.db2.gz IDCHVXMCEZMWOO-CYBMUJFWSA-N 1 0 385.247 3.474 20 5 GGBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000434437150 567308754 /nfs/dbraw/zinc/30/87/54/567308754.db2.gz NAEKFQRRNVSZLY-ZDUSSCGKSA-N 1 0 382.258 3.104 20 5 GGBDRO CC[NH+](CC)[C@@H](CNc1c(Br)cncc1[N+](=O)[O-])c1ccco1 ZINC000500260081 567311128 /nfs/dbraw/zinc/31/11/28/567311128.db2.gz FGBALESZGDISFT-LBPRGKRZSA-N 1 0 383.246 3.262 20 5 GGBDRO CC(C)(CO)CCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000568736276 567352179 /nfs/dbraw/zinc/35/21/79/567352179.db2.gz LVXKPRGISFCSSK-UHFFFAOYSA-N 1 0 392.237 3.088 20 5 GGBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592254798 567324864 /nfs/dbraw/zinc/32/48/64/567324864.db2.gz JPLFYORFJVPRAZ-STQMWFEESA-N 1 0 396.285 3.209 20 5 GGBDRO CCCCC[N@H+](CCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000568449888 567330591 /nfs/dbraw/zinc/33/05/91/567330591.db2.gz XIJOQANKAZIPHN-UHFFFAOYSA-N 1 0 392.237 3.184 20 5 GGBDRO C[C@H]1SCC[C@@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000592379971 567333869 /nfs/dbraw/zinc/33/38/69/567333869.db2.gz GBWJDLFSMFDKNZ-PELKAZGASA-N 1 0 378.235 3.183 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000568676733 567348353 /nfs/dbraw/zinc/34/83/53/567348353.db2.gz OEDREANBTAAZQY-DOMZBBRYSA-N 1 0 396.285 3.365 20 5 GGBDRO Cc1c(NC(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435331216 567355973 /nfs/dbraw/zinc/35/59/73/567355973.db2.gz ZHCIPKHCNXLRQR-OAHLLOKOSA-N 1 0 399.289 3.470 20 5 GGBDRO Cc1c(NC(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435331215 567356071 /nfs/dbraw/zinc/35/60/71/567356071.db2.gz ZHCIPKHCNXLRQR-HNNXBMFYSA-N 1 0 399.289 3.470 20 5 GGBDRO Cc1c(NC(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435326243 567356447 /nfs/dbraw/zinc/35/64/47/567356447.db2.gz CEHFQVFDMCUOCO-CMPLNLGQSA-N 1 0 385.262 3.270 20 5 GGBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H](CO)c1cccc(Br)c1 ZINC000501420059 567387271 /nfs/dbraw/zinc/38/72/71/567387271.db2.gz PNTHARYLLNFRSS-KRWDZBQOSA-N 1 0 395.253 3.402 20 5 GGBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H](CO)c1cccc(Br)c1 ZINC000501420060 567387536 /nfs/dbraw/zinc/38/75/36/567387536.db2.gz PNTHARYLLNFRSS-QGZVFWFLSA-N 1 0 395.253 3.402 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000593189321 567394124 /nfs/dbraw/zinc/39/41/24/567394124.db2.gz LESNNIWKOZEVAQ-ADEWGFFLSA-N 1 0 384.274 3.219 20 5 GGBDRO C[NH+](C)[C@H]1CCCN(c2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000549566001 567399488 /nfs/dbraw/zinc/39/94/88/567399488.db2.gz ZLZYVXOHSMKVLP-LBPRGKRZSA-N 1 0 389.237 3.120 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000550220546 567435388 /nfs/dbraw/zinc/43/53/88/567435388.db2.gz OGJBGVZMRHARMV-LLVKDONJSA-N 1 0 384.274 3.270 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000550220225 567436041 /nfs/dbraw/zinc/43/60/41/567436041.db2.gz FIHFLIJRLAWDGS-NSHDSACASA-N 1 0 384.274 3.127 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](CO)CCF)o2)c(Br)c1 ZINC000593690414 567436277 /nfs/dbraw/zinc/43/62/77/567436277.db2.gz YHUCRCKSEZJLSY-SNVBAGLBSA-N 1 0 387.205 3.427 20 5 GGBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000570046386 567454024 /nfs/dbraw/zinc/45/40/24/567454024.db2.gz QULWRXLVDUOTRJ-AWEZNQCLSA-N 1 0 383.901 3.331 20 5 GGBDRO C[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000570087589 567457410 /nfs/dbraw/zinc/45/74/10/567457410.db2.gz RJUSCXJEZYNXJV-CMPLNLGQSA-N 1 0 390.221 3.104 20 5 GGBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(Br)cc1[N+](=O)[O-] ZINC000594196072 567465411 /nfs/dbraw/zinc/46/54/11/567465411.db2.gz KPGRPXRUPKUQDF-KGLIPLIRSA-N 1 0 382.258 3.104 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594199438 567465538 /nfs/dbraw/zinc/46/55/38/567465538.db2.gz ZKSKLDRTZMLXRT-HOTGVXAUSA-N 1 0 396.285 3.033 20 5 GGBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000594390194 567473019 /nfs/dbraw/zinc/47/30/19/567473019.db2.gz UFPDKHIMKHXJEI-UHFFFAOYSA-N 1 0 384.274 3.304 20 5 GGBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000458205167 567531884 /nfs/dbraw/zinc/53/18/84/567531884.db2.gz RUPYXYHUNREQGA-UHFFFAOYSA-N 1 0 379.507 3.339 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000458220250 567532895 /nfs/dbraw/zinc/53/28/95/567532895.db2.gz OWEQIJFGCLZAJP-GFCCVEGCSA-N 1 0 384.274 3.127 20 5 GGBDRO CSC1(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000571291825 567551524 /nfs/dbraw/zinc/55/15/24/567551524.db2.gz OFJPTXSYOFGKDH-UHFFFAOYSA-N 1 0 378.235 3.185 20 5 GGBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1(C)C ZINC000571452150 567563990 /nfs/dbraw/zinc/56/39/90/567563990.db2.gz OJSIRCHMJGAZSY-CHWSQXEVSA-N 1 0 390.221 3.103 20 5 GGBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595937791 567594811 /nfs/dbraw/zinc/59/48/11/567594811.db2.gz XCRVVAUXWFFPRB-CYBMUJFWSA-N 1 0 396.285 3.209 20 5 GGBDRO CC(C)[C@@H](CNc1c(Br)cccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000596069646 567607503 /nfs/dbraw/zinc/60/75/03/567607503.db2.gz HQTCCERRAQEHLQ-OAHLLOKOSA-N 1 0 385.306 3.041 20 5 GGBDRO CC(C)n1c(Sc2c(Cl)cncc2[N+](=O)[O-])nnc1C1CC[NH2+]CC1 ZINC000596130961 567611313 /nfs/dbraw/zinc/61/13/13/567611313.db2.gz IQCGTCQXXXAIDZ-UHFFFAOYSA-N 1 0 382.877 3.434 20 5 GGBDRO CC(C)n1c(Sc2c(Cl)cncc2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000596131602 567611451 /nfs/dbraw/zinc/61/14/51/567611451.db2.gz QKPWDBRENMIYMW-SNVBAGLBSA-N 1 0 382.877 3.434 20 5 GGBDRO Cn1c(Sc2c(Br)cccc2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000596132061 567611485 /nfs/dbraw/zinc/61/14/85/567611485.db2.gz SPWUNFYNJKBNCW-VIFPVBQESA-N 1 0 398.286 3.104 20 5 GGBDRO Cc1c(Cl)cc(S(=O)(=O)NCc2ccc([C@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000440410370 567627162 /nfs/dbraw/zinc/62/71/62/567627162.db2.gz OSVFOOSPEAEBTM-NSHDSACASA-N 1 0 383.857 3.055 20 5 GGBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000506730568 567641785 /nfs/dbraw/zinc/64/17/85/567641785.db2.gz ITZYHCRHROBDPO-KRWDZBQOSA-N 1 0 383.539 3.264 20 5 GGBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000573116820 567689527 /nfs/dbraw/zinc/68/95/27/567689527.db2.gz CMEFVWYNNJBJAS-CYBMUJFWSA-N 1 0 389.283 3.256 20 5 GGBDRO CC1(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCOCC1 ZINC000573291282 567701846 /nfs/dbraw/zinc/70/18/46/567701846.db2.gz KPSDTYPQTJOZCM-UHFFFAOYSA-N 1 0 390.221 3.106 20 5 GGBDRO Cc1c(Br)cc(C(=O)NCC23CCC[NH+]2CCC3)cc1[N+](=O)[O-] ZINC000597587498 567705907 /nfs/dbraw/zinc/70/59/07/567705907.db2.gz VGGKFUROYBKDGR-UHFFFAOYSA-N 1 0 382.258 3.024 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCSc1ccc(Cl)cc1 ZINC000573712925 567731388 /nfs/dbraw/zinc/73/13/88/567731388.db2.gz MEBGJQGASHXKTJ-CQSZACIVSA-N 1 0 382.869 3.370 20 5 GGBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000508203887 567736967 /nfs/dbraw/zinc/73/69/67/567736967.db2.gz FXXLBVJHZDSPRM-UHFFFAOYSA-N 1 0 384.274 3.305 20 5 GGBDRO CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[C@@H]1CC[NH2+]C1 ZINC000573801955 567737391 /nfs/dbraw/zinc/73/73/91/567737391.db2.gz UZAPMLQDEMRYQK-GFCCVEGCSA-N 1 0 380.242 3.411 20 5 GGBDRO C[C@@H](Cc1ccncc1)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000554971507 567759719 /nfs/dbraw/zinc/75/97/19/567759719.db2.gz OTZJSPJSDNNRSC-NSHDSACASA-N 1 0 397.216 3.315 20 5 GGBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCOC2CCCC2)c1 ZINC000554969550 567760314 /nfs/dbraw/zinc/76/03/14/567760314.db2.gz OXOYWTFACOKXAR-UHFFFAOYSA-N 1 0 390.221 3.248 20 5 GGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000574209023 567763674 /nfs/dbraw/zinc/76/36/74/567763674.db2.gz PTIOWLAHVSEWEC-GFCCVEGCSA-N 1 0 386.290 3.136 20 5 GGBDRO CS(=O)(=O)[C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000462072951 567766079 /nfs/dbraw/zinc/76/60/79/567766079.db2.gz UTCYPCBMXUJPPO-MRXNPFEDSA-N 1 0 380.491 3.332 20 5 GGBDRO Cc1c(Br)cc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000533576529 567777105 /nfs/dbraw/zinc/77/71/05/567777105.db2.gz GAVPVAVACPBHOC-GFCCVEGCSA-N 1 0 384.274 3.126 20 5 GGBDRO C[C@H](SCC[NH+](C)C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000533807055 567788358 /nfs/dbraw/zinc/78/83/58/567788358.db2.gz PGHUHBRCCHVSKD-NSHDSACASA-N 1 0 380.495 3.340 20 5 GGBDRO COC1(CC[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCC1 ZINC000555601472 567791337 /nfs/dbraw/zinc/79/13/37/567791337.db2.gz STPGVEGUCIETRS-UHFFFAOYSA-N 1 0 390.221 3.248 20 5 GGBDRO CC(C)(CNC(=O)c1c(Br)cccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000598968628 567800765 /nfs/dbraw/zinc/80/07/65/567800765.db2.gz APTSQYPPHWZXTN-UHFFFAOYSA-N 1 0 384.274 3.352 20 5 GGBDRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCS1(=O)=O ZINC000599004655 567802744 /nfs/dbraw/zinc/80/27/44/567802744.db2.gz WCPGBAOYCINWNG-MEBBXXQBSA-N 1 0 384.841 3.173 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3C[C@@H](O)C3)o2)c(Br)c1 ZINC000599008151 567803174 /nfs/dbraw/zinc/80/31/74/567803174.db2.gz UZRVWUGKIBKZKD-KLPPZKSPSA-N 1 0 381.226 3.478 20 5 GGBDRO C[C@@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000599071141 567804617 /nfs/dbraw/zinc/80/46/17/567804617.db2.gz QYAPQMYXVLQYDJ-NEPJUHHUSA-N 1 0 384.274 3.208 20 5 GGBDRO C[C@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000599123151 567806561 /nfs/dbraw/zinc/80/65/61/567806561.db2.gz ALDMHDNCJQSUFW-GFCCVEGCSA-N 1 0 384.274 3.209 20 5 GGBDRO COc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000023737435 570370739 /nfs/dbraw/zinc/37/07/39/570370739.db2.gz UQFCRHSGJLEOPW-SFHVURJKSA-N 1 0 399.447 3.179 20 5 GGBDRO COc1ccc([C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[NH+]2CCCC2)cc1 ZINC000006602486 570491824 /nfs/dbraw/zinc/49/18/24/570491824.db2.gz JEYUITOLIIDDCK-FQEVSTJZSA-N 1 0 383.448 3.099 20 5 GGBDRO COc1ccc(C[N@@H+]2CCCN(c3c4c(ccc3[N+](=O)[O-])NCC4)CC2)cc1 ZINC000170601980 570860281 /nfs/dbraw/zinc/86/02/81/570860281.db2.gz CHFAYHBHRUXNDY-UHFFFAOYSA-N 1 0 382.464 3.284 20 5 GGBDRO O=C(COc1ccccc1[N+](=O)[O-])NCC1([NH+]2CCCCC2)CCCCC1 ZINC000003444765 570869781 /nfs/dbraw/zinc/86/97/81/570869781.db2.gz ONTWQKPRJCWQLR-UHFFFAOYSA-N 1 0 375.469 3.279 20 5 GGBDRO O=[N+]([O-])c1cc(NCc2ccccc2C[NH+]2CCCCC2)ccc1-c1nn[nH]n1 ZINC000823635449 607345755 /nfs/dbraw/zinc/34/57/55/607345755.db2.gz WPGHWHUHXOPUBL-UHFFFAOYSA-N 1 0 393.451 3.373 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)o2)cc1 ZINC000738361257 598357027 /nfs/dbraw/zinc/35/70/27/598357027.db2.gz WYGIJVZAIFZUMO-UHFFFAOYSA-N 1 0 376.376 3.325 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000820761581 606470742 /nfs/dbraw/zinc/47/07/42/606470742.db2.gz XZMWROBTNWSFRN-PBHICJAKSA-N 1 0 393.451 3.097 20 5 GGBDRO O=[N+]([O-])c1cc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)ccc1-c1nn[nH]n1 ZINC000823634187 606644303 /nfs/dbraw/zinc/64/43/03/606644303.db2.gz CDVCOYBIQCLKKB-INIZCTEOSA-N 1 0 383.412 3.007 20 5 GGBDRO O=[N+]([O-])c1cc(NC[C@H](c2ccco2)[NH+]2CCCCC2)ccc1-c1nn[nH]n1 ZINC000823634188 606644396 /nfs/dbraw/zinc/64/43/96/606644396.db2.gz CDVCOYBIQCLKKB-MRXNPFEDSA-N 1 0 383.412 3.007 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000820703238 606877632 /nfs/dbraw/zinc/87/76/32/606877632.db2.gz DGNZGUWDCOSFPX-HNNXBMFYSA-N 1 0 399.499 3.256 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C1CC1 ZINC000823646764 607056449 /nfs/dbraw/zinc/05/64/49/607056449.db2.gz AAQWOCGIGOIKOM-QGZVFWFLSA-N 1 0 382.399 3.025 20 5 GGBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820419870 607089712 /nfs/dbraw/zinc/08/97/12/607089712.db2.gz KZSMKTIDDBCDTF-CQSZACIVSA-N 1 0 393.451 3.095 20 5 GGBDRO C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)[C@H]1c1ccc(Cl)cc1 ZINC000826029584 608018809 /nfs/dbraw/zinc/01/88/09/608018809.db2.gz UMILIOIGDGJIPR-DLBZAZTESA-N 1 0 399.842 3.286 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CC1 ZINC000826500126 608283471 /nfs/dbraw/zinc/28/34/71/608283471.db2.gz MEUXANFNWZOWMV-KRWDZBQOSA-N 1 0 382.399 3.025 20 5 GGBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000052954616 1406240405 /nfs/dbraw/zinc/24/04/05/1406240405.db2.gz BWUYRSDVCAURTI-RDJZCZTQSA-N 1 0 397.479 3.377 20 5 GGBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)Cc1ccc(OC)cc1 ZINC000053087325 1406287481 /nfs/dbraw/zinc/28/74/81/1406287481.db2.gz JHTMXSLULCOSMF-UHFFFAOYSA-N 1 0 387.436 3.463 20 5 GGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000053417330 1406388914 /nfs/dbraw/zinc/38/89/14/1406388914.db2.gz AAEHDMCBHBXAGT-CALCHBBNSA-N 1 0 376.501 3.271 20 5 GGBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000053417531 1406389040 /nfs/dbraw/zinc/38/90/40/1406389040.db2.gz VGKVPFIEDJDNIB-IRXDYDNUSA-N 1 0 399.495 3.268 20 5 GGBDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)COc3cc(C)ccc3[N+](=O)[O-])CC2)cc1 ZINC000053542963 1406435671 /nfs/dbraw/zinc/43/56/71/1406435671.db2.gz KDDFNPAWBYYINV-UHFFFAOYSA-N 1 0 397.475 3.325 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(OCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000053543005 1406436039 /nfs/dbraw/zinc/43/60/39/1406436039.db2.gz RWEVQBSWEHDMQM-UHFFFAOYSA-N 1 0 397.475 3.371 20 5 GGBDRO CC[NH+]1CCC(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000053793132 1406512398 /nfs/dbraw/zinc/51/23/98/1406512398.db2.gz CLAURRYXDNRZQO-OAHLLOKOSA-N 1 0 397.479 3.377 20 5 GGBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000053968282 1406574035 /nfs/dbraw/zinc/57/40/35/1406574035.db2.gz DNHADOFYCPKCSL-UHFFFAOYSA-N 1 0 393.447 3.174 20 5 GGBDRO COc1ccccc1[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCCC1 ZINC000054059348 1406606722 /nfs/dbraw/zinc/60/67/22/1406606722.db2.gz ILVWFVGHBJSDNS-SFHVURJKSA-N 1 0 387.411 3.309 20 5 GGBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000054223732 1406658191 /nfs/dbraw/zinc/65/81/91/1406658191.db2.gz BTNAZULRJVLFED-HIFRSBDPSA-N 1 0 379.420 3.036 20 5 GGBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000054224040 1406658339 /nfs/dbraw/zinc/65/83/39/1406658339.db2.gz DQVTZVVKFJRJKS-AEFFLSMTSA-N 1 0 382.464 3.349 20 5 GGBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000054286995 1406681537 /nfs/dbraw/zinc/68/15/37/1406681537.db2.gz MSIKBOVLIARODN-INIZCTEOSA-N 1 0 388.512 3.435 20 5 GGBDRO O=C(NC1CC1)c1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000054359411 1406700618 /nfs/dbraw/zinc/70/06/18/1406700618.db2.gz NSZKZXTYVVRPQD-GOSISDBHSA-N 1 0 380.448 3.173 20 5 GGBDRO CC(C)NC(=O)c1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000054359408 1406700652 /nfs/dbraw/zinc/70/06/52/1406700652.db2.gz WVOKEQJBXAILNO-GOSISDBHSA-N 1 0 382.464 3.419 20 5 GGBDRO CC(=O)Nc1cccc2c1CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C2 ZINC000054389917 1406714368 /nfs/dbraw/zinc/71/43/68/1406714368.db2.gz WGHVKJCZYQMCIM-UHFFFAOYSA-N 1 0 396.447 3.249 20 5 GGBDRO Cc1cccc(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000054573732 1406772626 /nfs/dbraw/zinc/77/26/26/1406772626.db2.gz VEOCQZXADOEJOV-UHFFFAOYSA-N 1 0 396.491 3.235 20 5 GGBDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054644321 1406793909 /nfs/dbraw/zinc/79/39/09/1406793909.db2.gz ZNKCLDKCMZCWMX-UHFFFAOYSA-N 1 0 388.443 3.050 20 5 GGBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000054645953 1406795231 /nfs/dbraw/zinc/79/52/31/1406795231.db2.gz GXOPTSLZBIEMDY-SFHVURJKSA-N 1 0 386.452 3.257 20 5 GGBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054647591 1406796059 /nfs/dbraw/zinc/79/60/59/1406796059.db2.gz NRPCRRMEIKPLLR-UHFFFAOYSA-N 1 0 384.480 3.477 20 5 GGBDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000054647700 1406796422 /nfs/dbraw/zinc/79/64/22/1406796422.db2.gz BFBUXCNJGPQHNH-UHFFFAOYSA-N 1 0 396.491 3.363 20 5 GGBDRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)CC1 ZINC000054776361 1406822818 /nfs/dbraw/zinc/82/28/18/1406822818.db2.gz SVQSSZOMDBGWAC-UHFFFAOYSA-N 1 0 386.427 3.124 20 5 GGBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000054983585 1406864909 /nfs/dbraw/zinc/86/49/09/1406864909.db2.gz MAORCOGSMMFFQJ-UHFFFAOYSA-N 1 0 398.463 3.063 20 5 GGBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000055006653 1406868949 /nfs/dbraw/zinc/86/89/49/1406868949.db2.gz JKENZSIDPFBVMN-IBGZPJMESA-N 1 0 383.448 3.317 20 5 GGBDRO O=C(NC1CCCCC1)NC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000055029464 1406872803 /nfs/dbraw/zinc/87/28/03/1406872803.db2.gz ZXDIGUMPCXIYEV-UHFFFAOYSA-N 1 0 390.484 3.070 20 5 GGBDRO CC(C)(CNC(=O)CCOc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000055260045 1406915615 /nfs/dbraw/zinc/91/56/15/1406915615.db2.gz GXZWLBPFTIZDHL-UHFFFAOYSA-N 1 0 397.475 3.317 20 5 GGBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000055402643 1406949506 /nfs/dbraw/zinc/94/95/06/1406949506.db2.gz FDQKGKNSCUYMLR-DLBZAZTESA-N 1 0 388.512 3.048 20 5 GGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000055404708 1406950039 /nfs/dbraw/zinc/95/00/39/1406950039.db2.gz SJLLPGBNVQMVMG-QZTJIDSGSA-N 1 0 391.515 3.391 20 5 GGBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc1 ZINC000007257840 1398641249 /nfs/dbraw/zinc/64/12/49/1398641249.db2.gz HYDYAIKOLPJHOZ-UHFFFAOYSA-N 1 0 384.480 3.433 20 5 GGBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000007314049 1398652963 /nfs/dbraw/zinc/65/29/63/1398652963.db2.gz SFNUOCIVOQUXNK-UHFFFAOYSA-N 1 0 382.464 3.187 20 5 GGBDRO CC[NH+](CC)[C@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000007980113 1398785664 /nfs/dbraw/zinc/78/56/64/1398785664.db2.gz WUZUTTRKPIGRLS-LJQANCHMSA-N 1 0 391.493 3.493 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000008111681 1398804904 /nfs/dbraw/zinc/80/49/04/1398804904.db2.gz UWQDNWPWXAGQOM-UHFFFAOYSA-N 1 0 384.436 3.390 20 5 GGBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000009890805 1398869514 /nfs/dbraw/zinc/86/95/14/1398869514.db2.gz IOXZXRYYYNQRQL-UHFFFAOYSA-N 1 0 382.464 3.423 20 5 GGBDRO COc1cccc([C@H](CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)[NH+]2CCCC2)c1 ZINC000010448513 1398893398 /nfs/dbraw/zinc/89/33/98/1398893398.db2.gz CLRDWQNJLFMBNK-IBGZPJMESA-N 1 0 399.447 3.179 20 5 GGBDRO Cc1nn(Cc2ccc(C(=O)NC3CC[NH+](C(C)C)CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000010891855 1398928419 /nfs/dbraw/zinc/92/84/19/1398928419.db2.gz OANCUOFKGHEILI-UHFFFAOYSA-N 1 0 399.495 3.059 20 5 GGBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000010886464 1398928557 /nfs/dbraw/zinc/92/85/57/1398928557.db2.gz JHJUUYBJQPBAQR-UHFFFAOYSA-N 1 0 382.464 3.178 20 5 GGBDRO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000012284437 1399036834 /nfs/dbraw/zinc/03/68/34/1399036834.db2.gz OPVVJUJIYHTTFI-HNNXBMFYSA-N 1 0 397.431 3.312 20 5 GGBDRO COc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])cc1OC ZINC000017362828 1399281806 /nfs/dbraw/zinc/28/18/06/1399281806.db2.gz GGAGDQSKNWFFFY-UHFFFAOYSA-N 1 0 399.447 3.006 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000017794427 1399290410 /nfs/dbraw/zinc/29/04/10/1399290410.db2.gz JKTHBWFWXHQWSS-IBGZPJMESA-N 1 0 386.427 3.341 20 5 GGBDRO COc1ccc([C@H](CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000017911347 1399294356 /nfs/dbraw/zinc/29/43/56/1399294356.db2.gz PDJMDMXYABCTDH-FQEVSTJZSA-N 1 0 383.448 3.479 20 5 GGBDRO COc1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2C)[NH+]2CCCC2)cc1 ZINC000017911593 1399294849 /nfs/dbraw/zinc/29/48/49/1399294849.db2.gz IOODEYMTSSHZKE-FQEVSTJZSA-N 1 0 383.448 3.479 20 5 GGBDRO COc1ccc([C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000017911607 1399294936 /nfs/dbraw/zinc/29/49/36/1399294936.db2.gz JGQFRAQQHPGAHA-FQEVSTJZSA-N 1 0 383.448 3.099 20 5 GGBDRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000023016075 1399525592 /nfs/dbraw/zinc/52/55/92/1399525592.db2.gz CCGDKANOBBNGHJ-UHFFFAOYSA-N 1 0 388.855 3.285 20 5 GGBDRO CSc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1[N+](=O)[O-] ZINC000023133644 1399534216 /nfs/dbraw/zinc/53/42/16/1399534216.db2.gz ZFHNGRAJMYLQEO-UHFFFAOYSA-N 1 0 386.477 3.321 20 5 GGBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000023197263 1399538337 /nfs/dbraw/zinc/53/83/37/1399538337.db2.gz QJXGFXFJLTUDDB-SFHVURJKSA-N 1 0 385.464 3.286 20 5 GGBDRO COc1ccccc1[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000023692060 1399579764 /nfs/dbraw/zinc/57/97/64/1399579764.db2.gz WLPWUBMYZXTPBF-LJQANCHMSA-N 1 0 383.448 3.099 20 5 GGBDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000023738323 1399581560 /nfs/dbraw/zinc/58/15/60/1399581560.db2.gz AOFJBZOAPYPFLY-GOSISDBHSA-N 1 0 384.392 3.070 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000023795080 1399585645 /nfs/dbraw/zinc/58/56/45/1399585645.db2.gz STLBXCLRLQFQAJ-SFHVURJKSA-N 1 0 399.447 3.179 20 5 GGBDRO Cc1cccc(N2CC[NH+](CCCNC(=O)c3cccc(C)c3[N+](=O)[O-])CC2)c1 ZINC000024812777 1399675411 /nfs/dbraw/zinc/67/54/11/1399675411.db2.gz ZGAPWEWYYKTGOE-UHFFFAOYSA-N 1 0 396.491 3.154 20 5 GGBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)c1 ZINC000024928537 1399694682 /nfs/dbraw/zinc/69/46/82/1399694682.db2.gz FPAIPICDJBUNML-UHFFFAOYSA-N 1 0 385.420 3.476 20 5 GGBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000025071089 1399734046 /nfs/dbraw/zinc/73/40/46/1399734046.db2.gz JXWXNNKDZGSYGY-UHFFFAOYSA-N 1 0 379.363 3.342 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1ccc(F)cc1F ZINC000025071079 1399734496 /nfs/dbraw/zinc/73/44/96/1399734496.db2.gz IRPQCYPWWUITOC-UHFFFAOYSA-N 1 0 379.363 3.342 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccc(F)cc1F ZINC000025071272 1399734620 /nfs/dbraw/zinc/73/46/20/1399734620.db2.gz LDVNWUWHVATPBQ-UHFFFAOYSA-N 1 0 379.363 3.342 20 5 GGBDRO C[NH+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1 ZINC000025148081 1399756600 /nfs/dbraw/zinc/75/66/00/1399756600.db2.gz WABPKQPYJROUMX-UHFFFAOYSA-N 1 0 382.464 3.187 20 5 GGBDRO CC(C)(CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000025460693 1399811029 /nfs/dbraw/zinc/81/10/29/1399811029.db2.gz PLJWOILMIXKFFD-UHFFFAOYSA-N 1 0 398.419 3.070 20 5 GGBDRO O=C(NC1CC1)c1ccc(NCCC[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000025497641 1399813593 /nfs/dbraw/zinc/81/35/93/1399813593.db2.gz KLSCPBMXQAAVLQ-UHFFFAOYSA-N 1 0 394.475 3.347 20 5 GGBDRO CSc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000025630361 1399824307 /nfs/dbraw/zinc/82/43/07/1399824307.db2.gz GPEDIUAGVLFODP-AWEZNQCLSA-N 1 0 385.489 3.493 20 5 GGBDRO COc1ccccc1N1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000026157020 1399864968 /nfs/dbraw/zinc/86/49/68/1399864968.db2.gz SEYZJFFVEIFTPH-UHFFFAOYSA-N 1 0 398.463 3.063 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000026158279 1399864992 /nfs/dbraw/zinc/86/49/92/1399864992.db2.gz DTPWYYQPSPXKRN-UHFFFAOYSA-N 1 0 382.464 3.050 20 5 GGBDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000026225020 1399871045 /nfs/dbraw/zinc/87/10/45/1399871045.db2.gz GVOZBBWGZOKULK-UHFFFAOYSA-N 1 0 387.436 3.381 20 5 GGBDRO CCOc1ccc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000026223109 1399871183 /nfs/dbraw/zinc/87/11/83/1399871183.db2.gz KWIZNWXZKBAQBA-UHFFFAOYSA-N 1 0 387.436 3.463 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN(c2ccccc2C)CC1 ZINC000026230042 1399871464 /nfs/dbraw/zinc/87/14/64/1399871464.db2.gz QUERZMMLBFOEGQ-UHFFFAOYSA-N 1 0 398.463 3.063 20 5 GGBDRO Cc1ccccc1N1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000026230049 1399871571 /nfs/dbraw/zinc/87/15/71/1399871571.db2.gz HJRLUVBBTLFOIE-UHFFFAOYSA-N 1 0 382.464 3.362 20 5 GGBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000026300056 1399876847 /nfs/dbraw/zinc/87/68/47/1399876847.db2.gz XRYBKUDEOUYVFG-YJBOKZPZSA-N 1 0 387.505 3.365 20 5 GGBDRO Cc1c(NC(=O)CC[N@H+](C)CCOc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000026336808 1399879029 /nfs/dbraw/zinc/87/90/29/1399879029.db2.gz WOPBCFILLQRSJL-UHFFFAOYSA-N 1 0 375.400 3.382 20 5 GGBDRO Cc1cccc(N2CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000026338606 1399879518 /nfs/dbraw/zinc/87/95/18/1399879518.db2.gz DOZVYGRXVSFGBO-UHFFFAOYSA-N 1 0 382.464 3.362 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCOc1ccccc1C ZINC000026337187 1399879635 /nfs/dbraw/zinc/87/96/35/1399879635.db2.gz JBSSFWIVYIDZAS-UHFFFAOYSA-N 1 0 387.436 3.251 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000026338609 1399879769 /nfs/dbraw/zinc/87/97/69/1399879769.db2.gz SLNMHLOVYZMXED-UHFFFAOYSA-N 1 0 398.463 3.063 20 5 GGBDRO COc1ccc(NC(=O)CC[N@H+](C)CCOc2ccccc2C)c([N+](=O)[O-])c1 ZINC000026337190 1399879774 /nfs/dbraw/zinc/87/97/74/1399879774.db2.gz MRKVWTUCYYDTQB-UHFFFAOYSA-N 1 0 387.436 3.251 20 5 GGBDRO O=C(CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000026340954 1399879988 /nfs/dbraw/zinc/87/99/88/1399879988.db2.gz ZHCXTZOQAJCAKW-MRXNPFEDSA-N 1 0 396.447 3.274 20 5 GGBDRO O=C(CC[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000026340957 1399880078 /nfs/dbraw/zinc/88/00/78/1399880078.db2.gz ZHCXTZOQAJCAKW-INIZCTEOSA-N 1 0 396.447 3.274 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH+](CCc2ccccc2)CC1 ZINC000026341193 1399880130 /nfs/dbraw/zinc/88/01/30/1399880130.db2.gz OWVZIFUIIFAFAO-UHFFFAOYSA-N 1 0 396.491 3.092 20 5 GGBDRO Cc1c(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000026356480 1399882228 /nfs/dbraw/zinc/88/22/28/1399882228.db2.gz NZUAWXRBCJIYOR-UHFFFAOYSA-N 1 0 398.419 3.160 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000026715717 1399924690 /nfs/dbraw/zinc/92/46/90/1399924690.db2.gz HTMJYGLXPIAMCT-AEFFLSMTSA-N 1 0 392.477 3.077 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(c3nc4ccccc4o3)CC2)c1 ZINC000026712901 1399924906 /nfs/dbraw/zinc/92/49/06/1399924906.db2.gz XIWAJFWCZBWOME-KRWDZBQOSA-N 1 0 397.431 3.355 20 5 GGBDRO CCOc1cc(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000055749254 1407073463 /nfs/dbraw/zinc/07/34/63/1407073463.db2.gz NURSXKZDENDAQE-ZNMIVQPWSA-N 1 0 393.484 3.098 20 5 GGBDRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000027333929 1400019608 /nfs/dbraw/zinc/01/96/08/1400019608.db2.gz XTSGZAYQRJEUHE-IBGZPJMESA-N 1 0 398.463 3.355 20 5 GGBDRO COc1ccccc1[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000055752098 1407074327 /nfs/dbraw/zinc/07/43/27/1407074327.db2.gz GZTHMYHEGHJGIB-HXUWFJFHSA-N 1 0 397.475 3.489 20 5 GGBDRO Cc1nn(Cc2ccc(C(=O)N[C@@H](C)C[NH+]3CCCCC3)cc2)c(C)c1[N+](=O)[O-] ZINC000027750068 1400086641 /nfs/dbraw/zinc/08/66/41/1400086641.db2.gz HUSOOLHRBGQDET-HNNXBMFYSA-N 1 0 399.495 3.061 20 5 GGBDRO Cc1c(NC(=O)[C@H](C)N2CC[NH+](CCc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000027958183 1400110325 /nfs/dbraw/zinc/11/03/25/1400110325.db2.gz WNHBEFBKNCDOIW-SFHVURJKSA-N 1 0 396.491 3.091 20 5 GGBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCC[N@@H+](C)C2CCCCC2)c1C ZINC000028049847 1400123963 /nfs/dbraw/zinc/12/39/63/1400123963.db2.gz CWUZRKQZSGMGDU-UHFFFAOYSA-N 1 0 383.514 3.145 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000028483591 1400170064 /nfs/dbraw/zinc/17/00/64/1400170064.db2.gz PHNOYLWRBPGDKX-LJQANCHMSA-N 1 0 388.443 3.345 20 5 GGBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1OC(F)F ZINC000028922053 1400211688 /nfs/dbraw/zinc/21/16/88/1400211688.db2.gz LYKWUCNPANLCSQ-OCCSQVGLSA-N 1 0 382.363 3.287 20 5 GGBDRO CC(C)[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000029174713 1400253949 /nfs/dbraw/zinc/25/39/49/1400253949.db2.gz FSGTVRBZBXUPRS-OAQYLSRUSA-N 1 0 397.475 3.173 20 5 GGBDRO CC[NH+](CC)[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])c1ccccc1 ZINC000029187268 1400255927 /nfs/dbraw/zinc/25/59/27/1400255927.db2.gz BSVLYQDZLXHCER-IBGZPJMESA-N 1 0 381.436 3.326 20 5 GGBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c([N+](=O)[O-])c1 ZINC000029827800 1400358789 /nfs/dbraw/zinc/35/87/89/1400358789.db2.gz CMVQYBMKUXPSDM-OAHLLOKOSA-N 1 0 380.404 3.215 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000029828974 1400359419 /nfs/dbraw/zinc/35/94/19/1400359419.db2.gz LVHFVFGOIXTRID-WBVHZDCISA-N 1 0 397.431 3.355 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000030008115 1400396923 /nfs/dbraw/zinc/39/69/23/1400396923.db2.gz KNFNIOKFUMZAKP-SFHVURJKSA-N 1 0 389.477 3.019 20 5 GGBDRO Cc1ccc(S(=O)(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000030008190 1400397327 /nfs/dbraw/zinc/39/73/27/1400397327.db2.gz WAINCBOXAHUSRX-GOSISDBHSA-N 1 0 389.477 3.019 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056197450 1407247400 /nfs/dbraw/zinc/24/74/00/1407247400.db2.gz KKXYHXZFIGMUCI-RYUDHWBXSA-N 1 0 388.380 3.189 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000056362123 1407310275 /nfs/dbraw/zinc/31/02/75/1407310275.db2.gz FSMDRBSFBRJXNO-QLFBSQMISA-N 1 0 393.484 3.098 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000056362122 1407310647 /nfs/dbraw/zinc/31/06/47/1407310647.db2.gz FSMDRBSFBRJXNO-ZNMIVQPWSA-N 1 0 393.484 3.098 20 5 GGBDRO CCC(CC)[C@@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000056385725 1407316854 /nfs/dbraw/zinc/31/68/54/1407316854.db2.gz FAPXYPVXQBKLBE-HNAYVOBHSA-N 1 0 392.500 3.092 20 5 GGBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000056459081 1407338844 /nfs/dbraw/zinc/33/88/44/1407338844.db2.gz WUTFBCIITLBGRO-UHFFFAOYSA-N 1 0 382.464 3.367 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000043127172 1403712653 /nfs/dbraw/zinc/71/26/53/1403712653.db2.gz RBRBRMHOTKGTQO-UHFFFAOYSA-N 1 0 384.436 3.390 20 5 GGBDRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000043544735 1403782465 /nfs/dbraw/zinc/78/24/65/1403782465.db2.gz DSOTVSAAOAIPPO-SFHVURJKSA-N 1 0 394.475 3.199 20 5 GGBDRO C[N@@H+](Cc1ccccc1C(F)(F)F)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000043644406 1403795868 /nfs/dbraw/zinc/79/58/68/1403795868.db2.gz QOHXWKZMSHOWPK-OAHLLOKOSA-N 1 0 384.354 3.485 20 5 GGBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000043893065 1403841680 /nfs/dbraw/zinc/84/16/80/1403841680.db2.gz PBBHFICMILMRCY-UHFFFAOYSA-N 1 0 399.495 3.346 20 5 GGBDRO COc1ccc([C@H](CNC(=O)c2csc([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000044307829 1403917383 /nfs/dbraw/zinc/91/73/83/1403917383.db2.gz INNBVWPYUVDJRP-INIZCTEOSA-N 1 0 375.450 3.232 20 5 GGBDRO CC[NH+](CC)[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000044384481 1403928580 /nfs/dbraw/zinc/92/85/80/1403928580.db2.gz OFTBAUZZLHFLDQ-MRXNPFEDSA-N 1 0 377.466 3.478 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438861 1403933776 /nfs/dbraw/zinc/93/37/76/1403933776.db2.gz AEBQOIVTHMMHBU-UHFFFAOYSA-N 1 0 379.363 3.342 20 5 GGBDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000045281296 1404090283 /nfs/dbraw/zinc/09/02/83/1404090283.db2.gz SOSGFJWCSVRBIO-GOSISDBHSA-N 1 0 379.420 3.038 20 5 GGBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000045622298 1404164682 /nfs/dbraw/zinc/16/46/82/1404164682.db2.gz MYZUPJUCQKNFMZ-UHFFFAOYSA-N 1 0 382.464 3.367 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH+](Cc2cccs2)CC1 ZINC000045799615 1404207546 /nfs/dbraw/zinc/20/75/46/1404207546.db2.gz XGWRHMHUZHHQJX-UHFFFAOYSA-N 1 0 388.493 3.111 20 5 GGBDRO Cc1ccccc1C[NH+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000045799585 1404207596 /nfs/dbraw/zinc/20/75/96/1404207596.db2.gz KEFLXXHYAXWBNM-UHFFFAOYSA-N 1 0 382.464 3.050 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045812622 1404212580 /nfs/dbraw/zinc/21/25/80/1404212580.db2.gz MFMPPFMBCMWHSS-UHFFFAOYSA-N 1 0 395.525 3.180 20 5 GGBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000045820023 1404214546 /nfs/dbraw/zinc/21/45/46/1404214546.db2.gz TUBYIRHTLJJNKM-GOSISDBHSA-N 1 0 386.452 3.333 20 5 GGBDRO CC(C)[C@@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000046254504 1404346732 /nfs/dbraw/zinc/34/67/32/1404346732.db2.gz PDOVPNIGQVUOLY-LJQANCHMSA-N 1 0 376.501 3.493 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000046576071 1404490158 /nfs/dbraw/zinc/49/01/58/1404490158.db2.gz FOFVYPTWTZTNSH-QGZVFWFLSA-N 1 0 397.475 3.235 20 5 GGBDRO COc1ccc(CSCC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000046593680 1404496780 /nfs/dbraw/zinc/49/67/80/1404496780.db2.gz XELRVPIULGBMMG-GJZGRUSLSA-N 1 0 395.525 3.216 20 5 GGBDRO Cc1nn(Cc2ccc(C(=O)NCC[NH+]3CCCCCC3)cc2)c(C)c1[N+](=O)[O-] ZINC000046620123 1404515070 /nfs/dbraw/zinc/51/50/70/1404515070.db2.gz JIKJEVQHJADAGR-UHFFFAOYSA-N 1 0 399.495 3.062 20 5 GGBDRO Cc1cccc(C(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000046623608 1404516061 /nfs/dbraw/zinc/51/60/61/1404516061.db2.gz IMOQAMLBUGNKQW-IRXDYDNUSA-N 1 0 397.475 3.442 20 5 GGBDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000046624196 1404517474 /nfs/dbraw/zinc/51/74/74/1404517474.db2.gz CYCXDITXUQVFSZ-IYBDPMFKSA-N 1 0 383.448 3.134 20 5 GGBDRO C[NH+](C)CCOc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000046721852 1404567603 /nfs/dbraw/zinc/56/76/03/1404567603.db2.gz OVHSXZANFNTWFZ-UHFFFAOYSA-N 1 0 375.450 3.266 20 5 GGBDRO CCOc1cc(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000046989544 1404663872 /nfs/dbraw/zinc/66/38/72/1404663872.db2.gz KFKGQVQKWGSYHE-HNNXBMFYSA-N 1 0 393.484 3.387 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000046991583 1404665624 /nfs/dbraw/zinc/66/56/24/1404665624.db2.gz GGOKRXBCDXOFQZ-HNNXBMFYSA-N 1 0 393.484 3.244 20 5 GGBDRO C[C@@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000047004071 1404670876 /nfs/dbraw/zinc/67/08/76/1404670876.db2.gz DHXQUPRGYFPWAL-INIZCTEOSA-N 1 0 382.464 3.183 20 5 GGBDRO CC1CC[NH+](CCCCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000047216253 1404750124 /nfs/dbraw/zinc/75/01/24/1404750124.db2.gz DGSIRUNUWQEPKG-UHFFFAOYSA-N 1 0 388.512 3.437 20 5 GGBDRO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCN(c2cc[nH+]cc2)CC1 ZINC000047509785 1404855025 /nfs/dbraw/zinc/85/50/25/1404855025.db2.gz XPNSIJMFFHHHTP-UHFFFAOYSA-N 1 0 397.313 3.243 20 5 GGBDRO C[NH+](C)CCOc1cccc(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 ZINC000047673092 1404890699 /nfs/dbraw/zinc/89/06/99/1404890699.db2.gz SADWSQRDVRYBGO-UHFFFAOYSA-N 1 0 398.463 3.040 20 5 GGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[NH+](C[C@H]3CCOC3)CC2)s1 ZINC000048018607 1405026404 /nfs/dbraw/zinc/02/64/04/1405026404.db2.gz OZMHEKJJLYHDTD-MRXNPFEDSA-N 1 0 387.505 3.477 20 5 GGBDRO CC(C)C[C@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])[NH+](C)C ZINC000048131966 1405068369 /nfs/dbraw/zinc/06/83/69/1405068369.db2.gz APGWVYZJGAWVOZ-GFCCVEGCSA-N 1 0 391.390 3.242 20 5 GGBDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000048849780 1405306630 /nfs/dbraw/zinc/30/66/30/1405306630.db2.gz LEZILNXQWOLBIV-IBGZPJMESA-N 1 0 398.463 3.041 20 5 GGBDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000048850796 1405307842 /nfs/dbraw/zinc/30/78/42/1405307842.db2.gz JDCLSFIXSDRETD-IBGZPJMESA-N 1 0 398.463 3.041 20 5 GGBDRO CCOc1cc(C(=O)N2CCC(C[NH+](CC)CC)CC2)c([N+](=O)[O-])cc1OC ZINC000049075471 1405338310 /nfs/dbraw/zinc/33/83/10/1405338310.db2.gz LVQLEEHNLNRQIU-UHFFFAOYSA-N 1 0 393.484 3.196 20 5 GGBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[NH+](C2CCCC2)CC1 ZINC000050560668 1405603442 /nfs/dbraw/zinc/60/34/42/1405603442.db2.gz CMCROZDWIKETAZ-UHFFFAOYSA-N 1 0 386.477 3.419 20 5 GGBDRO Cc1ccc(C(=O)NC2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000051098265 1405724293 /nfs/dbraw/zinc/72/42/93/1405724293.db2.gz FYESXXCCXYITOD-UHFFFAOYSA-N 1 0 389.477 3.238 20 5 GGBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000051469678 1405816401 /nfs/dbraw/zinc/81/64/01/1405816401.db2.gz ROXFPKYKYLNKOY-MRXNPFEDSA-N 1 0 386.477 3.419 20 5 GGBDRO O=C(NC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1)c1ccc(F)cc1 ZINC000051475126 1405817533 /nfs/dbraw/zinc/81/75/33/1405817533.db2.gz SNRDHAMONZHNBS-UHFFFAOYSA-N 1 0 387.411 3.007 20 5 GGBDRO O=C(NCCC[NH+]1CCCC1)C1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000052161955 1405958894 /nfs/dbraw/zinc/95/88/94/1405958894.db2.gz SOCSADXIWDJTJA-UHFFFAOYSA-N 1 0 394.903 3.067 20 5 GGBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000052282706 1406007941 /nfs/dbraw/zinc/00/79/41/1406007941.db2.gz NYQQWOAFCORQBM-GJZGRUSLSA-N 1 0 383.514 3.168 20 5 GGBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000052606702 1406093560 /nfs/dbraw/zinc/09/35/60/1406093560.db2.gz WWFRIHXDJRXTKG-UHFFFAOYSA-N 1 0 393.447 3.389 20 5 GGBDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000056885495 1407464705 /nfs/dbraw/zinc/46/47/05/1407464705.db2.gz FMKLXZCATZNLCA-UHFFFAOYSA-N 1 0 378.432 3.254 20 5 GGBDRO C[NH+]1CCN(Cc2cccc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)c2)CC1 ZINC000057273921 1407577244 /nfs/dbraw/zinc/57/72/44/1407577244.db2.gz NPUTUHYQKBZYBT-UHFFFAOYSA-N 1 0 393.447 3.076 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000057554838 1407648454 /nfs/dbraw/zinc/64/84/54/1407648454.db2.gz ZRJJOYQMYAAXKO-ZBFHGGJFSA-N 1 0 395.463 3.129 20 5 GGBDRO C[C@H](CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000057702346 1407692665 /nfs/dbraw/zinc/69/26/65/1407692665.db2.gz WFYCZIZPABDCRM-CABCVRRESA-N 1 0 397.479 3.375 20 5 GGBDRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000057764720 1407711584 /nfs/dbraw/zinc/71/15/84/1407711584.db2.gz SBCRAUPCRFAINX-UHFFFAOYSA-N 1 0 397.522 3.189 20 5 GGBDRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000058257148 1407802773 /nfs/dbraw/zinc/80/27/73/1407802773.db2.gz ANVYCBGOZXYARF-UHFFFAOYSA-N 1 0 377.466 3.307 20 5 GGBDRO Cn1cc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000058263254 1407804204 /nfs/dbraw/zinc/80/42/04/1407804204.db2.gz GGPGXTPNFYNZGD-UHFFFAOYSA-N 1 0 397.479 3.086 20 5 GGBDRO O=C(CC1CCCC1)N1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000058578762 1407847546 /nfs/dbraw/zinc/84/75/46/1407847546.db2.gz JJTURHGWWPRXNS-UHFFFAOYSA-N 1 0 375.469 3.088 20 5 GGBDRO Cc1ccc(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000058760355 1407876471 /nfs/dbraw/zinc/87/64/71/1407876471.db2.gz IGGKYTCBFSQGHV-IAGOWNOFSA-N 1 0 397.475 3.442 20 5 GGBDRO CCOC(=O)c1cc(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000059890431 1407928315 /nfs/dbraw/zinc/92/83/15/1407928315.db2.gz QMEDAXMJWONIRN-VLIAUNLRSA-N 1 0 391.468 3.012 20 5 GGBDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCc4cc([N+](=O)[O-])ccc43)cc2)CC1 ZINC000060219933 1407948398 /nfs/dbraw/zinc/94/83/98/1407948398.db2.gz UOSUBSFMISHJMW-UHFFFAOYSA-N 1 0 394.475 3.328 20 5 GGBDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N(C)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000060379534 1407965875 /nfs/dbraw/zinc/96/58/75/1407965875.db2.gz IUTSGTSXBLZIEF-UHFFFAOYSA-N 1 0 382.464 3.402 20 5 GGBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000060500068 1407991555 /nfs/dbraw/zinc/99/15/55/1407991555.db2.gz UOIFIHQYMFKGOC-GASCZTMLSA-N 1 0 397.541 3.248 20 5 GGBDRO COc1cc(C[NH2+]CCn2ccnc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061014665 1408064372 /nfs/dbraw/zinc/06/43/72/1408064372.db2.gz RTBJHBPOHPMVPM-UHFFFAOYSA-N 1 0 382.420 3.169 20 5 GGBDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000061015369 1408064588 /nfs/dbraw/zinc/06/45/88/1408064588.db2.gz XNJNPLXYNQHCQP-OAHLLOKOSA-N 1 0 391.493 3.476 20 5 GGBDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000061015368 1408065077 /nfs/dbraw/zinc/06/50/77/1408065077.db2.gz KACZPMSDZAPUMU-HNNXBMFYSA-N 1 0 391.493 3.476 20 5 GGBDRO CCC[NH+]1CCC(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000061031093 1408067876 /nfs/dbraw/zinc/06/78/76/1408067876.db2.gz OIOUISWWFFOKCP-INIZCTEOSA-N 1 0 388.512 3.435 20 5 GGBDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000061029491 1408068159 /nfs/dbraw/zinc/06/81/59/1408068159.db2.gz CHAHVZIMBRCCIN-UHFFFAOYSA-N 1 0 391.493 3.224 20 5 GGBDRO CC(C)[NH+]1CCN(c2ccc(C(=O)NCCc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000061190490 1408088861 /nfs/dbraw/zinc/08/88/61/1408088861.db2.gz NJSOZDWRWJNUPY-UHFFFAOYSA-N 1 0 396.491 3.098 20 5 GGBDRO COc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000061503390 1408138892 /nfs/dbraw/zinc/13/88/92/1408138892.db2.gz UIEVJHPNYXZOJA-LJQANCHMSA-N 1 0 383.448 3.479 20 5 GGBDRO Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000061502933 1408139398 /nfs/dbraw/zinc/13/93/98/1408139398.db2.gz DLHRSIUNNQPUJC-LJQANCHMSA-N 1 0 398.419 3.378 20 5 GGBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCCC[NH+]3CCCC3)cc2[N+](=O)[O-])C1 ZINC000061547472 1408145230 /nfs/dbraw/zinc/14/52/30/1408145230.db2.gz XJDOCUCSMBCDKM-CALCHBBNSA-N 1 0 388.512 3.293 20 5 GGBDRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000061567449 1408148256 /nfs/dbraw/zinc/14/82/56/1408148256.db2.gz QMZICHNTIHFARL-UHFFFAOYSA-N 1 0 377.441 3.437 20 5 GGBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c1 ZINC000061622528 1408154201 /nfs/dbraw/zinc/15/42/01/1408154201.db2.gz LUCWXDRJOMQWIA-UHFFFAOYSA-N 1 0 386.408 3.193 20 5 GGBDRO C[NH+](C)CCn1cc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cn1 ZINC000061635679 1408156375 /nfs/dbraw/zinc/15/63/75/1408156375.db2.gz LXNGLEMPBRYHNP-UHFFFAOYSA-N 1 0 394.435 3.349 20 5 GGBDRO C[C@H]1C[NH+](CCC2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000176393757 1428297121 /nfs/dbraw/zinc/29/71/21/1428297121.db2.gz ZDRYNRZJNGGPBB-HOTGVXAUSA-N 1 0 390.484 3.338 20 5 GGBDRO CCN(C[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000176396304 1428300023 /nfs/dbraw/zinc/30/00/23/1428300023.db2.gz KDGLNOBQIWTDLB-CQSZACIVSA-N 1 0 375.391 3.180 20 5 GGBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063081177 1408301630 /nfs/dbraw/zinc/30/16/30/1408301630.db2.gz LCZPCAYSLMBKLO-UHFFFAOYSA-N 1 0 383.448 3.002 20 5 GGBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063080899 1408301698 /nfs/dbraw/zinc/30/16/98/1408301698.db2.gz CMGJHYOTBLWXEV-UHFFFAOYSA-N 1 0 396.491 3.303 20 5 GGBDRO O=C(COc1ccccc1[N+](=O)[O-])NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063081443 1408302493 /nfs/dbraw/zinc/30/24/93/1408302493.db2.gz HAIADTKQJJYRPB-UHFFFAOYSA-N 1 0 383.448 3.002 20 5 GGBDRO Cc1ccc([C@H](C)NC(=O)NC2CC[NH+](CCOC(C)C)CC2)cc1[N+](=O)[O-] ZINC000176411114 1428309531 /nfs/dbraw/zinc/30/95/31/1428309531.db2.gz OFXNODOVAQJUSX-INIZCTEOSA-N 1 0 392.500 3.153 20 5 GGBDRO Cc1c(C(=O)NC2CC[NH+](CC3CCCC3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000063341651 1408341183 /nfs/dbraw/zinc/34/11/83/1408341183.db2.gz VUPYLFKKWRBNJS-UHFFFAOYSA-N 1 0 390.440 3.196 20 5 GGBDRO C[N@H+](CCNC(=O)c1ccc(Br)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000063697517 1408393071 /nfs/dbraw/zinc/39/30/71/1408393071.db2.gz OHRDLMSUPTWLGP-UHFFFAOYSA-N 1 0 392.253 3.219 20 5 GGBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000063698557 1408393285 /nfs/dbraw/zinc/39/32/85/1408393285.db2.gz MWBXUGIGUYRZET-MRXNPFEDSA-N 1 0 390.396 3.217 20 5 GGBDRO CCOc1cc(C(=O)N(C)CC[N@H+](C)C2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000063771812 1408406549 /nfs/dbraw/zinc/40/65/49/1408406549.db2.gz CCSLMWPUEDZHAV-UHFFFAOYSA-N 1 0 393.484 3.339 20 5 GGBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000063771304 1408406790 /nfs/dbraw/zinc/40/67/90/1408406790.db2.gz DXSIQKBAHXQLJJ-UHFFFAOYSA-N 1 0 385.468 3.117 20 5 GGBDRO Cc1c(C(=O)N(C)CC[N@H+](C)C2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000063772000 1408406839 /nfs/dbraw/zinc/40/68/39/1408406839.db2.gz CFVDKJNCAZZDNR-UHFFFAOYSA-N 1 0 378.429 3.148 20 5 GGBDRO CC[N@@H+]1CCC[C@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000063852763 1408428807 /nfs/dbraw/zinc/42/88/07/1408428807.db2.gz HQUVCTAEDXCIGR-QGZVFWFLSA-N 1 0 377.488 3.003 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1CCCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000064113156 1408485889 /nfs/dbraw/zinc/48/58/89/1408485889.db2.gz YZPVADSZYXPBES-HNNXBMFYSA-N 1 0 385.468 3.236 20 5 GGBDRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176456693 1428325417 /nfs/dbraw/zinc/32/54/17/1428325417.db2.gz QLMOOIQZWMSBFB-UHFFFAOYSA-N 1 0 381.860 3.013 20 5 GGBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000064419410 1408550203 /nfs/dbraw/zinc/55/02/03/1408550203.db2.gz NIRGTJNFMXXXLK-RISCZKNCSA-N 1 0 397.884 3.496 20 5 GGBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCC[NH+]1CCCCCC1 ZINC000064418892 1408550288 /nfs/dbraw/zinc/55/02/88/1408550288.db2.gz CLIPVUZNYCJCKD-CQSZACIVSA-N 1 0 383.876 3.398 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000064521033 1408573330 /nfs/dbraw/zinc/57/33/30/1408573330.db2.gz ACNWYEYGLPUOND-AWEZNQCLSA-N 1 0 389.477 3.307 20 5 GGBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000064681367 1408594963 /nfs/dbraw/zinc/59/49/63/1408594963.db2.gz BWUYRSDVCAURTI-NVXWUHKLSA-N 1 0 397.479 3.377 20 5 GGBDRO O=C(NC1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1)c1ccsc1 ZINC000064992008 1408634863 /nfs/dbraw/zinc/63/48/63/1408634863.db2.gz KZSSKTBYMQALOK-UHFFFAOYSA-N 1 0 389.477 3.320 20 5 GGBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000065086763 1408643188 /nfs/dbraw/zinc/64/31/88/1408643188.db2.gz NBCADCDTJPTJGW-UHFFFAOYSA-N 1 0 395.444 3.076 20 5 GGBDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000065252068 1408656791 /nfs/dbraw/zinc/65/67/91/1408656791.db2.gz TVBNTTGGQJIJBR-SJORKVTESA-N 1 0 377.485 3.381 20 5 GGBDRO CC(C)(CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000065511587 1408681326 /nfs/dbraw/zinc/68/13/26/1408681326.db2.gz BUMRYOZUSWQKLU-UHFFFAOYSA-N 1 0 396.491 3.273 20 5 GGBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000065526856 1408684497 /nfs/dbraw/zinc/68/44/97/1408684497.db2.gz VTXNHGHPUNUVPY-IYBDPMFKSA-N 1 0 391.516 3.062 20 5 GGBDRO Cc1ccc(NC(=O)C2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000065536140 1408684863 /nfs/dbraw/zinc/68/48/63/1408684863.db2.gz CJCVTZBVJMYBAG-UHFFFAOYSA-N 1 0 384.436 3.028 20 5 GGBDRO COc1ccccc1NC(=O)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065534089 1408685082 /nfs/dbraw/zinc/68/50/82/1408685082.db2.gz IXSNKWKWFFGCBW-UHFFFAOYSA-N 1 0 399.447 3.333 20 5 GGBDRO C[NH+](C)CCOc1ccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 ZINC000065735280 1408720980 /nfs/dbraw/zinc/72/09/80/1408720980.db2.gz BKFNJWCDMNQDMM-UHFFFAOYSA-N 1 0 382.420 3.129 20 5 GGBDRO CC[NH+](CC)[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccccc1Cl ZINC000065773929 1408727603 /nfs/dbraw/zinc/72/76/03/1408727603.db2.gz CYAOSSCIARFLOV-KRWDZBQOSA-N 1 0 393.875 3.034 20 5 GGBDRO C[NH+](C)CCCOC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000176504804 1428343222 /nfs/dbraw/zinc/34/32/22/1428343222.db2.gz QHWAAVATUYHYNW-UHFFFAOYSA-N 1 0 384.864 3.213 20 5 GGBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1ccccc1C[NH+]1CCCC1 ZINC000065841501 1408740237 /nfs/dbraw/zinc/74/02/37/1408740237.db2.gz BPPXQMFZZNBSGG-UHFFFAOYSA-N 1 0 392.459 3.462 20 5 GGBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000065844046 1408740756 /nfs/dbraw/zinc/74/07/56/1408740756.db2.gz DSVPJKVKKNNHOQ-IBGZPJMESA-N 1 0 392.459 3.330 20 5 GGBDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000065876971 1408746684 /nfs/dbraw/zinc/74/66/84/1408746684.db2.gz OVVNJPGCZNHNJR-UHFFFAOYSA-N 1 0 397.431 3.257 20 5 GGBDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000065893607 1408749029 /nfs/dbraw/zinc/74/90/29/1408749029.db2.gz FHPWRWDFOFKACK-UHFFFAOYSA-N 1 0 398.438 3.279 20 5 GGBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000065909757 1408752791 /nfs/dbraw/zinc/75/27/91/1408752791.db2.gz YLVCYDVJDMFCRY-UHFFFAOYSA-N 1 0 395.419 3.219 20 5 GGBDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000065939386 1408759725 /nfs/dbraw/zinc/75/97/25/1408759725.db2.gz GOIIPAKYJYRYHG-UHFFFAOYSA-N 1 0 384.411 3.419 20 5 GGBDRO O=c1[nH]cnc2cc(NC3CC[NH+](CC4CCCCC4)CC3)c([N+](=O)[O-])cc21 ZINC000065946446 1408760795 /nfs/dbraw/zinc/76/07/95/1408760795.db2.gz HTGZUVAXZZJKRV-UHFFFAOYSA-N 1 0 385.468 3.288 20 5 GGBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000065970895 1408765181 /nfs/dbraw/zinc/76/51/81/1408765181.db2.gz GSLMQXOVXBUUFT-UHFFFAOYSA-N 1 0 391.493 3.087 20 5 GGBDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000065972239 1408765191 /nfs/dbraw/zinc/76/51/91/1408765191.db2.gz GHAZYHAJQFRNJI-UHFFFAOYSA-N 1 0 397.884 3.001 20 5 GGBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000066050671 1408779266 /nfs/dbraw/zinc/77/92/66/1408779266.db2.gz LVFMRJXAKMPVPK-IYBDPMFKSA-N 1 0 386.496 3.422 20 5 GGBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1 ZINC000066602186 1408864476 /nfs/dbraw/zinc/86/44/76/1408864476.db2.gz ADCKNUXVBQQGPT-UHFFFAOYSA-N 1 0 399.447 3.138 20 5 GGBDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000066676374 1408882539 /nfs/dbraw/zinc/88/25/39/1408882539.db2.gz UYMQEWKPWLFZMX-UHFFFAOYSA-N 1 0 397.475 3.344 20 5 GGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000066816189 1408920517 /nfs/dbraw/zinc/92/05/17/1408920517.db2.gz ZRWJOEHEZOVEAY-UHFFFAOYSA-N 1 0 391.493 3.086 20 5 GGBDRO C[NH+](C)CCNC(=O)c1cccc(CNc2ccc([N+](=O)[O-])c3cnccc23)c1 ZINC000066816542 1408920628 /nfs/dbraw/zinc/92/06/28/1408920628.db2.gz BEDVREDRSPTZOZ-UHFFFAOYSA-N 1 0 393.447 3.047 20 5 GGBDRO C[NH+](C)CCNC(=O)c1cccc(CNc2ccc3ncccc3c2[N+](=O)[O-])c1 ZINC000066816438 1408920631 /nfs/dbraw/zinc/92/06/31/1408920631.db2.gz QBGQDIMIJIQGMH-UHFFFAOYSA-N 1 0 393.447 3.047 20 5 GGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000066935365 1408957238 /nfs/dbraw/zinc/95/72/38/1408957238.db2.gz XFBJLQJXEBQKRV-UHFFFAOYSA-N 1 0 391.493 3.008 20 5 GGBDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000067020576 1408982883 /nfs/dbraw/zinc/98/28/83/1408982883.db2.gz UADOCDPMOBTKMJ-UHFFFAOYSA-N 1 0 398.463 3.227 20 5 GGBDRO COc1ccccc1[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C)[NH+]1CCCC1 ZINC000067130386 1409015817 /nfs/dbraw/zinc/01/58/17/1409015817.db2.gz BTRXOWFWWSKDBD-IBGZPJMESA-N 1 0 383.448 3.479 20 5 GGBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c1 ZINC000067136390 1409018461 /nfs/dbraw/zinc/01/84/61/1409018461.db2.gz HRCHMPFKRSVXLZ-UHFFFAOYSA-N 1 0 394.435 3.270 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)c1 ZINC000067203007 1409040405 /nfs/dbraw/zinc/04/04/05/1409040405.db2.gz ZQSUTRIGHIUWFJ-INIZCTEOSA-N 1 0 375.469 3.378 20 5 GGBDRO COc1cc(C[NH2+]Cc2cnn(C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000067223461 1409046518 /nfs/dbraw/zinc/04/65/18/1409046518.db2.gz DTYKOKCDWUKFJB-UHFFFAOYSA-N 1 0 382.420 3.206 20 5 GGBDRO CC[NH+]1CCC(CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 ZINC000067233611 1409049980 /nfs/dbraw/zinc/04/99/80/1409049980.db2.gz PATGFZRFAGSSLF-UHFFFAOYSA-N 1 0 388.512 3.293 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000176582025 1428370799 /nfs/dbraw/zinc/37/07/99/1428370799.db2.gz NOKLYEKFURAFFU-WBVHZDCISA-N 1 0 383.448 3.386 20 5 GGBDRO CC(C)C[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000067264602 1409057960 /nfs/dbraw/zinc/05/79/60/1409057960.db2.gz IDBLBHJJWQNKGA-CYBMUJFWSA-N 1 0 383.876 3.252 20 5 GGBDRO CC[NH+](CC)[C@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccco1 ZINC000067274791 1409061415 /nfs/dbraw/zinc/06/14/15/1409061415.db2.gz FKYPXHARGVNBSS-GOSISDBHSA-N 1 0 397.435 3.186 20 5 GGBDRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000067361457 1409084982 /nfs/dbraw/zinc/08/49/82/1409084982.db2.gz AAUJYEXQNSFOEU-MRXNPFEDSA-N 1 0 393.447 3.113 20 5 GGBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000176598006 1428375155 /nfs/dbraw/zinc/37/51/55/1428375155.db2.gz PBAUNFRUHVOLBE-SFHVURJKSA-N 1 0 376.501 3.195 20 5 GGBDRO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000067445975 1409121102 /nfs/dbraw/zinc/12/11/02/1409121102.db2.gz GGLIPPCXFMCHTO-UHFFFAOYSA-N 1 0 383.404 3.174 20 5 GGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000067452306 1409122302 /nfs/dbraw/zinc/12/23/02/1409122302.db2.gz BDFNTWAAXLCOCK-KDOFPFPSSA-N 1 0 399.447 3.458 20 5 GGBDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000067536236 1409150788 /nfs/dbraw/zinc/15/07/88/1409150788.db2.gz LXHBPKDKMSUOKD-UHFFFAOYSA-N 1 0 382.464 3.321 20 5 GGBDRO Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000067593459 1409179240 /nfs/dbraw/zinc/17/92/40/1409179240.db2.gz WDKVAFGJDTZRCT-GOSISDBHSA-N 1 0 386.408 3.153 20 5 GGBDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067722702 1409214858 /nfs/dbraw/zinc/21/48/58/1409214858.db2.gz MXVVTJRBTPSPHW-UHFFFAOYSA-N 1 0 384.480 3.301 20 5 GGBDRO CC(C)(CNC(=O)NCc1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000067724080 1409215499 /nfs/dbraw/zinc/21/54/99/1409215499.db2.gz CDPFUXYHKSUJLM-UHFFFAOYSA-N 1 0 382.464 3.231 20 5 GGBDRO COc1cccc([C@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)c1 ZINC000067725996 1409215750 /nfs/dbraw/zinc/21/57/50/1409215750.db2.gz LJIAHPANCRIXOU-FQEVSTJZSA-N 1 0 398.463 3.240 20 5 GGBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000176635069 1428386611 /nfs/dbraw/zinc/38/66/11/1428386611.db2.gz LDVTWPVDZZECAP-WBVHZDCISA-N 1 0 390.484 3.020 20 5 GGBDRO COc1ccc(CC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000067901728 1409252648 /nfs/dbraw/zinc/25/26/48/1409252648.db2.gz HFVAVHWPTVNOQE-LJQANCHMSA-N 1 0 383.448 3.099 20 5 GGBDRO COc1ccc(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000067901894 1409252846 /nfs/dbraw/zinc/25/28/46/1409252846.db2.gz JYNVIPNSXZDGBM-UHFFFAOYSA-N 1 0 397.475 3.448 20 5 GGBDRO COc1ccc(CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1[N+](=O)[O-] ZINC000067907899 1409253728 /nfs/dbraw/zinc/25/37/28/1409253728.db2.gz MDCXLJGAPIDBRM-UHFFFAOYSA-N 1 0 397.475 3.235 20 5 GGBDRO COc1ccc(CC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000067923518 1409256493 /nfs/dbraw/zinc/25/64/93/1409256493.db2.gz LWZCUVIPKPKYDS-QGZVFWFLSA-N 1 0 387.436 3.001 20 5 GGBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000067960394 1409264886 /nfs/dbraw/zinc/26/48/86/1409264886.db2.gz SFBVQNWBLIPQIY-UHFFFAOYSA-N 1 0 390.390 3.186 20 5 GGBDRO C[C@@H](CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000068064400 1409288895 /nfs/dbraw/zinc/28/88/95/1409288895.db2.gz CYFDXWGERIROLA-HOTGVXAUSA-N 1 0 397.479 3.377 20 5 GGBDRO C[NH+](C)CCOc1ccc(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000068130473 1409309997 /nfs/dbraw/zinc/30/99/97/1409309997.db2.gz JYGGBUXHRBWFDU-UHFFFAOYSA-N 1 0 377.828 3.119 20 5 GGBDRO Nc1c(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000068130625 1409310084 /nfs/dbraw/zinc/31/00/84/1409310084.db2.gz UYXSLBJSVYOOJE-UHFFFAOYSA-N 1 0 378.448 3.044 20 5 GGBDRO C[C@@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000068219199 1409333634 /nfs/dbraw/zinc/33/36/34/1409333634.db2.gz LPCBIENDDCKMBZ-HNNXBMFYSA-N 1 0 382.464 3.419 20 5 GGBDRO CC[NH+](CC)[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccco1 ZINC000068256512 1409342919 /nfs/dbraw/zinc/34/29/19/1409342919.db2.gz ZLZJGBZZAXPBAP-SFHVURJKSA-N 1 0 384.436 3.342 20 5 GGBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000068265864 1409345719 /nfs/dbraw/zinc/34/57/19/1409345719.db2.gz AZZOZCMXSOYBKX-NHYWBVRUSA-N 1 0 397.884 3.496 20 5 GGBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccccc1C[NH+](C)C ZINC000068265568 1409345770 /nfs/dbraw/zinc/34/57/70/1409345770.db2.gz HMFJOFPIOOBCMW-CYBMUJFWSA-N 1 0 391.855 3.394 20 5 GGBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000068350371 1409375363 /nfs/dbraw/zinc/37/53/63/1409375363.db2.gz SKOYBVHBXPIDFG-ZDUSSCGKSA-N 1 0 391.855 3.394 20 5 GGBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000068350374 1409375775 /nfs/dbraw/zinc/37/57/75/1409375775.db2.gz SKOYBVHBXPIDFG-CYBMUJFWSA-N 1 0 391.855 3.394 20 5 GGBDRO O=C(CC[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000068371948 1409382932 /nfs/dbraw/zinc/38/29/32/1409382932.db2.gz URIIXSAMNWCVOO-INIZCTEOSA-N 1 0 396.447 3.274 20 5 GGBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000068387578 1409387302 /nfs/dbraw/zinc/38/73/02/1409387302.db2.gz XKXMXPDCRLLNPU-ZDUSSCGKSA-N 1 0 381.436 3.330 20 5 GGBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000068387557 1409387378 /nfs/dbraw/zinc/38/73/78/1409387378.db2.gz JYBXNEFURJHUED-ZDUSSCGKSA-N 1 0 386.408 3.362 20 5 GGBDRO CCCC[NH+]1CCC(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000068443558 1409404661 /nfs/dbraw/zinc/40/46/61/1409404661.db2.gz SZAIGSNZRBRMCE-UHFFFAOYSA-N 1 0 388.512 3.192 20 5 GGBDRO COc1cccc([C@@H](CNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])[NH+](C)C)c1 ZINC000176683109 1428405138 /nfs/dbraw/zinc/40/51/38/1428405138.db2.gz CRVLYWLGUBYGPL-QGZVFWFLSA-N 1 0 375.400 3.084 20 5 GGBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000176678593 1428402946 /nfs/dbraw/zinc/40/29/46/1428402946.db2.gz WYNRGEFBONJBPC-UHFFFAOYSA-N 1 0 389.905 3.052 20 5 GGBDRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000068549524 1409435522 /nfs/dbraw/zinc/43/55/22/1409435522.db2.gz TUCLMFPDCRCRLR-UHFFFAOYSA-N 1 0 382.464 3.188 20 5 GGBDRO Cc1ccc(NC(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000068555187 1409437664 /nfs/dbraw/zinc/43/76/64/1409437664.db2.gz BATYSNCBVYITPL-IYBDPMFKSA-N 1 0 390.484 3.256 20 5 GGBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000176681536 1428404405 /nfs/dbraw/zinc/40/44/05/1428404405.db2.gz AGIMLQYWSPWDAQ-UHFFFAOYSA-N 1 0 389.905 3.099 20 5 GGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]Cc2ccc(Cn3cncn3)cc2)c1 ZINC000068577671 1409443468 /nfs/dbraw/zinc/44/34/68/1409443468.db2.gz IOOLHEVTCPLRMP-UHFFFAOYSA-N 1 0 389.362 3.126 20 5 GGBDRO C[NH+](C)C1(CNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)CCCC1 ZINC000068664588 1409462826 /nfs/dbraw/zinc/46/28/26/1409462826.db2.gz SCPRZSKKUYPSNF-UHFFFAOYSA-N 1 0 391.859 3.080 20 5 GGBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000069369066 1409623574 /nfs/dbraw/zinc/62/35/74/1409623574.db2.gz AFHJATHYIIKLDR-RDJZCZTQSA-N 1 0 385.489 3.466 20 5 GGBDRO C[N@H+](CCCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000069500479 1409644256 /nfs/dbraw/zinc/64/42/56/1409644256.db2.gz ISZWFHPIGZSRHE-UHFFFAOYSA-N 1 0 385.468 3.165 20 5 GGBDRO Cc1ccc(NC(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000069612138 1409662632 /nfs/dbraw/zinc/66/26/32/1409662632.db2.gz JKCPSXSZQZNNFT-LJQANCHMSA-N 1 0 397.479 3.013 20 5 GGBDRO COc1cccc([C@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000069617686 1409663498 /nfs/dbraw/zinc/66/34/98/1409663498.db2.gz FTZWTYBITOQFGN-KRWDZBQOSA-N 1 0 377.828 3.290 20 5 GGBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000069618838 1409664450 /nfs/dbraw/zinc/66/44/50/1409664450.db2.gz VMFMBHLWDNNQDW-IBGZPJMESA-N 1 0 398.419 3.378 20 5 GGBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000071028108 1409814197 /nfs/dbraw/zinc/81/41/97/1409814197.db2.gz POAUVWYJYRCKBO-UHFFFAOYSA-N 1 0 395.422 3.374 20 5 GGBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000176720922 1428433053 /nfs/dbraw/zinc/43/30/53/1428433053.db2.gz LXEUSRWTJPEBPG-PBHICJAKSA-N 1 0 398.419 3.286 20 5 GGBDRO Cc1cccc(N2CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000071829589 1409826333 /nfs/dbraw/zinc/82/63/33/1409826333.db2.gz HVGLLUYIBBRSNY-UHFFFAOYSA-N 1 0 382.464 3.362 20 5 GGBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000072072799 1409845353 /nfs/dbraw/zinc/84/53/53/1409845353.db2.gz AQIDSWPMMKKEJI-UHFFFAOYSA-N 1 0 396.491 3.174 20 5 GGBDRO C[C@@H](CNC(=O)c1cc2ccccc2c2cccnc12)C[NH+]1CCN(C)CC1 ZINC000074137859 1409869257 /nfs/dbraw/zinc/86/92/57/1409869257.db2.gz VSMXVLPPOUNQER-KRWDZBQOSA-N 1 0 376.504 3.001 20 5 GGBDRO CCCC[N@H+](C)CC1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000074319819 1409871540 /nfs/dbraw/zinc/87/15/40/1409871540.db2.gz DJJUXEKZVUJHDL-MRXNPFEDSA-N 1 0 376.501 3.366 20 5 GGBDRO CCCC[N@H+](C)CC1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000074319627 1409871571 /nfs/dbraw/zinc/87/15/71/1409871571.db2.gz CBHZPQPPXQJVRK-MRXNPFEDSA-N 1 0 376.501 3.366 20 5 GGBDRO CC(C)CC[NH+]1CCC(CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000080217172 1410003572 /nfs/dbraw/zinc/00/35/72/1410003572.db2.gz ZNFCWOGTIKIBIU-UHFFFAOYSA-N 1 0 376.501 3.494 20 5 GGBDRO CCc1nn(C)c(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000091742993 1410079034 /nfs/dbraw/zinc/07/90/34/1410079034.db2.gz YUSSAASIDCWODS-MJGOQNOKSA-N 1 0 383.496 3.382 20 5 GGBDRO CC(C)N(C)C(=O)C1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000091952035 1410095230 /nfs/dbraw/zinc/09/52/30/1410095230.db2.gz NFUYANIXZUCZAQ-UHFFFAOYSA-N 1 0 399.495 3.074 20 5 GGBDRO Cn1cc(CN2CCC[C@H]2C[NH+]2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092218644 1410120592 /nfs/dbraw/zinc/12/05/92/1410120592.db2.gz AXVZZIOHHBOUJI-FQEVSTJZSA-N 1 0 383.496 3.446 20 5 GGBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000092505353 1410163702 /nfs/dbraw/zinc/16/37/02/1410163702.db2.gz DOKLCBABFZUQRU-ZZXKWVIFSA-N 1 0 387.402 3.195 20 5 GGBDRO COc1ccc(-c2ccc(C[NH+]3CCC(n4cncn4)CC3)o2)c([N+](=O)[O-])c1 ZINC000092647922 1410183434 /nfs/dbraw/zinc/18/34/34/1410183434.db2.gz ZOAVNYKNMZPVBY-UHFFFAOYSA-N 1 0 383.408 3.292 20 5 GGBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccs2)c1C ZINC000176793686 1428462809 /nfs/dbraw/zinc/46/28/09/1428462809.db2.gz HADPENQCEPHTLI-UHFFFAOYSA-N 1 0 397.522 3.026 20 5 GGBDRO CCc1nn(C)c(NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000092828435 1410204254 /nfs/dbraw/zinc/20/42/54/1410204254.db2.gz VGCLDYYOSZCAHQ-GJZGRUSLSA-N 1 0 387.484 3.112 20 5 GGBDRO COC[C@@H]1CCC[N@H+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000093337720 1410235838 /nfs/dbraw/zinc/23/58/38/1410235838.db2.gz CIKOTGXKORFBMT-GFCCVEGCSA-N 1 0 392.374 3.403 20 5 GGBDRO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000093534215 1410250878 /nfs/dbraw/zinc/25/08/78/1410250878.db2.gz CPWGVRHZUSIUMV-KRWDZBQOSA-N 1 0 378.436 3.375 20 5 GGBDRO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534357 1410250895 /nfs/dbraw/zinc/25/08/95/1410250895.db2.gz IVMVXUHGYHTMAC-KRWDZBQOSA-N 1 0 392.463 3.479 20 5 GGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3c(F)cccc3N3CCCC3)C2)nc1 ZINC000093534861 1410251647 /nfs/dbraw/zinc/25/16/47/1410251647.db2.gz GAOXREQDCSDJTL-OAHLLOKOSA-N 1 0 385.443 3.416 20 5 GGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3c(F)cccc3N3CCCC3)C2)nc1 ZINC000093534860 1410251880 /nfs/dbraw/zinc/25/18/80/1410251880.db2.gz GAOXREQDCSDJTL-HNNXBMFYSA-N 1 0 385.443 3.416 20 5 GGBDRO COCCOC[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000093754156 1410263793 /nfs/dbraw/zinc/26/37/93/1410263793.db2.gz UXJFRVGPMGIPFX-AWEZNQCLSA-N 1 0 377.466 3.203 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)NC[C@H](C2CC2)[NH+](C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000097126745 1410352927 /nfs/dbraw/zinc/35/29/27/1410352927.db2.gz UYYMNYBKJADWNY-VBKZILBWSA-N 1 0 397.479 3.233 20 5 GGBDRO CN(c1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1)C1CC[NH+](C)CC1 ZINC000097207836 1410359074 /nfs/dbraw/zinc/35/90/74/1410359074.db2.gz KNUJBJBAUFQULU-UHFFFAOYSA-N 1 0 398.463 3.143 20 5 GGBDRO C[C@H]1C[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@@H+]1Cc1ccccc1 ZINC000176815968 1428478901 /nfs/dbraw/zinc/47/89/01/1428478901.db2.gz PTPOJFKZBLZSEN-RDJZCZTQSA-N 1 0 382.464 3.302 20 5 GGBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000097598522 1410383655 /nfs/dbraw/zinc/38/36/55/1410383655.db2.gz JUXRVHSZTCYLLF-UHFFFAOYSA-N 1 0 383.514 3.036 20 5 GGBDRO Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)CC2CCCCC2)c([N+](=O)[O-])c1 ZINC000097598509 1410383671 /nfs/dbraw/zinc/38/36/71/1410383671.db2.gz QMAHRPIPYRZMTN-UHFFFAOYSA-N 1 0 383.514 3.036 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000097598508 1410383971 /nfs/dbraw/zinc/38/39/71/1410383971.db2.gz NNZSLVBBPXFINT-UHFFFAOYSA-N 1 0 383.514 3.036 20 5 GGBDRO C[NH+](C)CCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000101569395 1410468463 /nfs/dbraw/zinc/46/84/63/1410468463.db2.gz HOVPLHPSOIQHEU-UHFFFAOYSA-N 1 0 397.884 3.001 20 5 GGBDRO COc1cc(C[NH2+]C[C@H](c2ccco2)N2CCCCC2)c([N+](=O)[O-])cc1O ZINC000101589033 1410474004 /nfs/dbraw/zinc/47/40/04/1410474004.db2.gz LFPSADXEQVPBBU-MRXNPFEDSA-N 1 0 375.425 3.219 20 5 GGBDRO O=C(NCc1ccccc1[N+](=O)[O-])N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000101607266 1410477604 /nfs/dbraw/zinc/47/76/04/1410477604.db2.gz SMXODRTWQIGSFN-UHFFFAOYSA-N 1 0 396.491 3.445 20 5 GGBDRO O=C(Nc1ccc(F)cc1)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000101917018 1410521309 /nfs/dbraw/zinc/52/13/09/1410521309.db2.gz CPGTWDHUNSJGGP-UHFFFAOYSA-N 1 0 387.411 3.463 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000102230581 1410583895 /nfs/dbraw/zinc/58/38/95/1410583895.db2.gz XDOZAWOQPXVODH-MRXNPFEDSA-N 1 0 399.495 3.217 20 5 GGBDRO CC(C)(C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)n1cc([N+](=O)[O-])cn1 ZINC000102342915 1410604732 /nfs/dbraw/zinc/60/47/32/1410604732.db2.gz CKYWWGIBHJVWOU-UHFFFAOYSA-N 1 0 399.495 3.219 20 5 GGBDRO CCS(=O)(=O)N(C)CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000102422518 1410626136 /nfs/dbraw/zinc/62/61/36/1410626136.db2.gz VFXCVIRUASPKQV-UHFFFAOYSA-N 1 0 397.522 3.085 20 5 GGBDRO COC(=O)N1CCC([NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000102424555 1410628116 /nfs/dbraw/zinc/62/81/16/1410628116.db2.gz FDGFHTPVPXXYRY-UHFFFAOYSA-N 1 0 389.408 3.184 20 5 GGBDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000102424996 1410628146 /nfs/dbraw/zinc/62/81/46/1410628146.db2.gz KLOXNLISDRCSGW-ZDUSSCGKSA-N 1 0 375.425 3.258 20 5 GGBDRO C[C@@H]1C[NH+](CC2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000102648442 1410685532 /nfs/dbraw/zinc/68/55/32/1410685532.db2.gz IFIMEUGTPXOSJU-ZIAGYGMSSA-N 1 0 395.887 3.210 20 5 GGBDRO C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000176885047 1428512151 /nfs/dbraw/zinc/51/21/51/1428512151.db2.gz HIHOHYDGGRIQCM-VQIMIIECSA-N 1 0 382.464 3.399 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1SC ZINC000103186686 1410835450 /nfs/dbraw/zinc/83/54/50/1410835450.db2.gz BQZNQCASQUGTGL-UHFFFAOYSA-N 1 0 381.498 3.364 20 5 GGBDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000103458172 1410859547 /nfs/dbraw/zinc/85/95/47/1410859547.db2.gz UXZIVRMVMVIVTB-SJLPKXTDSA-N 1 0 399.495 3.433 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C(C)(C)c1ccccc1OC ZINC000103484083 1410863051 /nfs/dbraw/zinc/86/30/51/1410863051.db2.gz KYMSYOYIASFIKK-UHFFFAOYSA-N 1 0 387.436 3.466 20 5 GGBDRO COCCC[NH+]1CCC(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)CC1 ZINC000103615453 1410868994 /nfs/dbraw/zinc/86/89/94/1410868994.db2.gz ANJGAGSOUPNDBP-UHFFFAOYSA-N 1 0 392.500 3.016 20 5 GGBDRO C[NH+](C)Cc1ccnc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000176927539 1428522575 /nfs/dbraw/zinc/52/25/75/1428522575.db2.gz OIMWEODTAOQPLG-UHFFFAOYSA-N 1 0 383.433 3.427 20 5 GGBDRO CCOC(=O)N[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104674334 1410923820 /nfs/dbraw/zinc/92/38/20/1410923820.db2.gz DSXIYIMVIPMRCP-HNNXBMFYSA-N 1 0 388.424 3.003 20 5 GGBDRO O=C(C1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1)N1CCCC1 ZINC000104664203 1410925213 /nfs/dbraw/zinc/92/52/13/1410925213.db2.gz XRBRRUUYSZQTMN-UHFFFAOYSA-N 1 0 398.463 3.127 20 5 GGBDRO CCOC(=O)CC1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000104667232 1410925585 /nfs/dbraw/zinc/92/55/85/1410925585.db2.gz BCIIJWCFAFOGHG-UHFFFAOYSA-N 1 0 387.436 3.458 20 5 GGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000104673647 1410925852 /nfs/dbraw/zinc/92/58/52/1410925852.db2.gz RQSKBTSDBJDQHU-HNNXBMFYSA-N 1 0 385.468 3.299 20 5 GGBDRO CCCC(=O)N[C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104682587 1410927053 /nfs/dbraw/zinc/92/70/53/1410927053.db2.gz LAISXAYAZVWGPB-MRXNPFEDSA-N 1 0 386.452 3.173 20 5 GGBDRO Cc1cc(C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)c(N)c([N+](=O)[O-])c1 ZINC000104857333 1410981366 /nfs/dbraw/zinc/98/13/66/1410981366.db2.gz QFZKNJDGZMBATI-UHFFFAOYSA-N 1 0 397.479 3.268 20 5 GGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000105545327 1411083012 /nfs/dbraw/zinc/08/30/12/1411083012.db2.gz GKQVPSNHZYPWPJ-QGZVFWFLSA-N 1 0 382.464 3.130 20 5 GGBDRO CC[NH+]1CCC(N(C)C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 ZINC000105599874 1411090831 /nfs/dbraw/zinc/09/08/31/1411090831.db2.gz VITCCSRYHIQDNL-UHFFFAOYSA-N 1 0 388.512 3.387 20 5 GGBDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)Cc3ccccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000106083664 1411166551 /nfs/dbraw/zinc/16/65/51/1411166551.db2.gz RENZEUBDDDGDCA-CALCHBBNSA-N 1 0 397.475 3.063 20 5 GGBDRO CC(C)[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000106166672 1411174874 /nfs/dbraw/zinc/17/48/74/1411174874.db2.gz FWFXNHYDGQSQSI-LJQANCHMSA-N 1 0 376.501 3.270 20 5 GGBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000176998116 1428547078 /nfs/dbraw/zinc/54/70/78/1428547078.db2.gz QASMIZLXRKQKPB-SFHVURJKSA-N 1 0 396.491 3.470 20 5 GGBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000106788035 1411301276 /nfs/dbraw/zinc/30/12/76/1411301276.db2.gz VCRZERYGWZLJJZ-CQSZACIVSA-N 1 0 386.477 3.465 20 5 GGBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106790157 1411301334 /nfs/dbraw/zinc/30/13/34/1411301334.db2.gz QVJJQDHBYIJDCN-TZMCWYRMSA-N 1 0 381.860 3.149 20 5 GGBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106790159 1411301588 /nfs/dbraw/zinc/30/15/88/1411301588.db2.gz QVJJQDHBYIJDCN-JSGCOSHPSA-N 1 0 381.860 3.149 20 5 GGBDRO C[NH+](C)CCCOc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000107193063 1411349240 /nfs/dbraw/zinc/34/92/40/1411349240.db2.gz XGFKJQWLXYPVPH-UHFFFAOYSA-N 1 0 391.399 3.082 20 5 GGBDRO C[NH+](C)CCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000107193438 1411349795 /nfs/dbraw/zinc/34/97/95/1411349795.db2.gz MFKHLVLRHVYVQU-UHFFFAOYSA-N 1 0 388.380 3.086 20 5 GGBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000107600869 1411391149 /nfs/dbraw/zinc/39/11/49/1411391149.db2.gz OVWWAZGYWHAPGN-DZGCQCFKSA-N 1 0 381.860 3.102 20 5 GGBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000107600260 1411391232 /nfs/dbraw/zinc/39/12/32/1411391232.db2.gz BKFRAEKKYQVYCJ-GOSISDBHSA-N 1 0 386.496 3.286 20 5 GGBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000108302287 1411468071 /nfs/dbraw/zinc/46/80/71/1411468071.db2.gz LRFVIDPHTRPSIN-IBGZPJMESA-N 1 0 394.475 3.421 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000108337281 1411476145 /nfs/dbraw/zinc/47/61/45/1411476145.db2.gz PWYNZIIRZYTUNV-HNNXBMFYSA-N 1 0 399.447 3.467 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000108576436 1411543056 /nfs/dbraw/zinc/54/30/56/1411543056.db2.gz WVXTYHOZJQIVLM-UHFFFAOYSA-N 1 0 375.469 3.332 20 5 GGBDRO CC1CCN(c2ccc(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)cc2[N+](=O)[O-])CC1 ZINC000108783909 1411608481 /nfs/dbraw/zinc/60/84/81/1411608481.db2.gz HTUHMSXBFRBEEJ-MRXNPFEDSA-N 1 0 386.496 3.045 20 5 GGBDRO Cc1cc(C(=O)NCc2cccc(CN3CCO[C@H](C)C3)c2)ccc1[N+](=O)[O-] ZINC000109049053 1411670852 /nfs/dbraw/zinc/67/08/52/1411670852.db2.gz KVNPOOVTEVYPSN-MRXNPFEDSA-N 1 0 383.448 3.054 20 5 GGBDRO C[NH+](C)CCCOC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000177092293 1428585463 /nfs/dbraw/zinc/58/54/63/1428585463.db2.gz DADPKTRZZPITOC-UHFFFAOYSA-N 1 0 391.493 3.382 20 5 GGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)o1 ZINC000109071325 1411676936 /nfs/dbraw/zinc/67/69/36/1411676936.db2.gz IELKUKPQOXXVHA-OAHLLOKOSA-N 1 0 379.420 3.403 20 5 GGBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000109122921 1411688172 /nfs/dbraw/zinc/68/81/72/1411688172.db2.gz TZQRCTLGRUHQNN-MRXNPFEDSA-N 1 0 385.468 3.022 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000109122487 1411688597 /nfs/dbraw/zinc/68/85/97/1411688597.db2.gz AGZWPIYWXQASKM-MRXNPFEDSA-N 1 0 385.468 3.165 20 5 GGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000109124372 1411688954 /nfs/dbraw/zinc/68/89/54/1411688954.db2.gz VUXFYVJJORBDQB-IAGOWNOFSA-N 1 0 376.501 3.271 20 5 GGBDRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000109146947 1411694103 /nfs/dbraw/zinc/69/41/03/1411694103.db2.gz JFLNZKSYSSXZLJ-BFUOFWGJSA-N 1 0 382.420 3.009 20 5 GGBDRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000109146945 1411694420 /nfs/dbraw/zinc/69/44/20/1411694420.db2.gz JFLNZKSYSSXZLJ-ORAYPTAESA-N 1 0 382.420 3.009 20 5 GGBDRO COc1ccc([C@@H]([NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C2CC2)cc1 ZINC000109147297 1411694634 /nfs/dbraw/zinc/69/46/34/1411694634.db2.gz PNTOCIGWBNWJBZ-UXHICEINSA-N 1 0 381.432 3.450 20 5 GGBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000109312737 1411738757 /nfs/dbraw/zinc/73/87/57/1411738757.db2.gz FVELXNLEYLATTJ-LJQANCHMSA-N 1 0 382.464 3.425 20 5 GGBDRO Nc1c(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000109351197 1411746884 /nfs/dbraw/zinc/74/68/84/1411746884.db2.gz OFULVQDARRWBNL-UHFFFAOYSA-N 1 0 378.448 3.091 20 5 GGBDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000109372345 1411749726 /nfs/dbraw/zinc/74/97/26/1411749726.db2.gz QZGPZNZHCZIVMU-UHFFFAOYSA-N 1 0 397.479 3.165 20 5 GGBDRO CCCNC(=O)C1([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCCCC1 ZINC000177119558 1428593630 /nfs/dbraw/zinc/59/36/30/1428593630.db2.gz JULDMEMQSFBXDB-UHFFFAOYSA-N 1 0 396.875 3.005 20 5 GGBDRO O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000109484988 1411772781 /nfs/dbraw/zinc/77/27/81/1411772781.db2.gz QVOGZYNQAYFDRY-UHFFFAOYSA-N 1 0 387.461 3.161 20 5 GGBDRO COc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1[N+](=O)[O-] ZINC000109657086 1411801926 /nfs/dbraw/zinc/80/19/26/1411801926.db2.gz XWPCBOLHTALSKM-MRXNPFEDSA-N 1 0 375.469 3.188 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000109661128 1411802448 /nfs/dbraw/zinc/80/24/48/1411802448.db2.gz MFELIVPVODKOGA-MRXNPFEDSA-N 1 0 375.469 3.188 20 5 GGBDRO Cc1c(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000109740425 1411807120 /nfs/dbraw/zinc/80/71/20/1411807120.db2.gz GAVKOTMHVKKCLR-UHFFFAOYSA-N 1 0 382.464 3.444 20 5 GGBDRO O=[N+]([O-])c1cc(C[N@H+](CCc2ccccc2)[C@H]2CCOC2)c2c(c1)COCO2 ZINC000177137037 1428599373 /nfs/dbraw/zinc/59/93/73/1428599373.db2.gz RGPZUCLNGYSPGF-IBGZPJMESA-N 1 0 384.432 3.295 20 5 GGBDRO C[C@H](NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000110230729 1411838911 /nfs/dbraw/zinc/83/89/11/1411838911.db2.gz JVWOMPSEVDFSQA-SFHVURJKSA-N 1 0 396.491 3.374 20 5 GGBDRO O=C(NCCCCC[NH+]1CCCCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000110437269 1411850857 /nfs/dbraw/zinc/85/08/57/1411850857.db2.gz PJJDGQXVWFVLCJ-UHFFFAOYSA-N 1 0 385.468 3.167 20 5 GGBDRO O=C(NCCCCC[NH+]1CCCCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000110438511 1411850984 /nfs/dbraw/zinc/85/09/84/1411850984.db2.gz WXJJQWIEWKMATH-UHFFFAOYSA-N 1 0 385.468 3.167 20 5 GGBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000110488641 1411852492 /nfs/dbraw/zinc/85/24/92/1411852492.db2.gz VDJRGTVAINMERN-UHFFFAOYSA-N 1 0 386.452 3.244 20 5 GGBDRO C[NH+](C)CCCOc1cccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000111108443 1411887559 /nfs/dbraw/zinc/88/75/59/1411887559.db2.gz DHLKRQBPMZTTLZ-UHFFFAOYSA-N 1 0 383.408 3.054 20 5 GGBDRO C[C@H](CN1CCOCC1)[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000111172589 1411893684 /nfs/dbraw/zinc/89/36/84/1411893684.db2.gz JTJHSYUGMVWWAZ-LJQANCHMSA-N 1 0 399.491 3.197 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000111227432 1411896498 /nfs/dbraw/zinc/89/64/98/1411896498.db2.gz LGYODDAXMPHHCA-OAHLLOKOSA-N 1 0 391.493 3.311 20 5 GGBDRO CCC(CC)(CNC(=O)Cn1cc([N+](=O)[O-])nc1C)[NH2+][C@@H](C)c1ccccc1 ZINC000111634778 1412003938 /nfs/dbraw/zinc/00/39/38/1412003938.db2.gz ICUZBEIBLOUCPD-HNNXBMFYSA-N 1 0 387.484 3.126 20 5 GGBDRO Cn1ccnc1C(=O)c1ccc(NCCC[NH2+]C2CCCCC2)c([N+](=O)[O-])c1 ZINC000112073853 1412073833 /nfs/dbraw/zinc/07/38/33/1412073833.db2.gz SJIDFDSBRPMSNL-UHFFFAOYSA-N 1 0 385.468 3.284 20 5 GGBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000112532107 1412163789 /nfs/dbraw/zinc/16/37/89/1412163789.db2.gz NEMQTDQSKJDUDZ-GJZGRUSLSA-N 1 0 380.448 3.474 20 5 GGBDRO CC(C)C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H](O)c1ccc(F)cc1 ZINC000112655685 1412186372 /nfs/dbraw/zinc/18/63/72/1412186372.db2.gz LMJHYIDRDFPGPN-IBGZPJMESA-N 1 0 389.427 3.024 20 5 GGBDRO CC(C)C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H](O)c1ccc(F)cc1 ZINC000112655689 1412187571 /nfs/dbraw/zinc/18/75/71/1412187571.db2.gz LMJHYIDRDFPGPN-LJQANCHMSA-N 1 0 389.427 3.024 20 5 GGBDRO CC(C)(C)C(=O)NC[C@@H]1CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000112694937 1412193797 /nfs/dbraw/zinc/19/37/97/1412193797.db2.gz IMVGUBQZTWFDRX-INIZCTEOSA-N 1 0 399.495 3.290 20 5 GGBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)CSc2ccccc2[N+](=O)[O-])CC1 ZINC000112915665 1412238199 /nfs/dbraw/zinc/23/81/99/1412238199.db2.gz GWBKPCMHSPCBAR-UHFFFAOYSA-N 1 0 389.477 3.403 20 5 GGBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000112918653 1412240068 /nfs/dbraw/zinc/24/00/68/1412240068.db2.gz CBHIYMOQFAIKEA-UHFFFAOYSA-N 1 0 378.429 3.087 20 5 GGBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000112918622 1412240377 /nfs/dbraw/zinc/24/03/77/1412240377.db2.gz LDILHEGJHYAMHZ-UHFFFAOYSA-N 1 0 399.495 3.365 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1COc1ccccc1 ZINC000112984723 1412250768 /nfs/dbraw/zinc/25/07/68/1412250768.db2.gz SDZIXPSOCHSZQX-KRWDZBQOSA-N 1 0 399.447 3.475 20 5 GGBDRO CN(C(=O)COc1ccccc1[N+](=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000113093220 1412261421 /nfs/dbraw/zinc/26/14/21/1412261421.db2.gz WFFIWCKYMGRCQR-UHFFFAOYSA-N 1 0 383.448 3.097 20 5 GGBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000113196197 1412274053 /nfs/dbraw/zinc/27/40/53/1412274053.db2.gz BJIRKPKNFQACBB-CQSZACIVSA-N 1 0 378.429 3.114 20 5 GGBDRO CN(C(=O)CNc1ccccc1[N+](=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000113208169 1412274912 /nfs/dbraw/zinc/27/49/12/1412274912.db2.gz MVQQTAGQFKNFEC-UHFFFAOYSA-N 1 0 382.464 3.130 20 5 GGBDRO C[C@H]([NH2+]C1(CNC(=O)c2ccccc2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000113236943 1412280405 /nfs/dbraw/zinc/28/04/05/1412280405.db2.gz ZAZXILUZUYGRMX-INIZCTEOSA-N 1 0 383.448 3.225 20 5 GGBDRO CC(C)[C@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCOCC1 ZINC000113317067 1412291624 /nfs/dbraw/zinc/29/16/24/1412291624.db2.gz NGVDCARNISHZHK-SFHVURJKSA-N 1 0 390.509 3.165 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCc3nnc4n3CCCCC4)cs2)c1 ZINC000113318795 1412291805 /nfs/dbraw/zinc/29/18/05/1412291805.db2.gz RKSSXZIHTXBIGT-UHFFFAOYSA-N 1 0 398.492 3.369 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000113901113 1412347901 /nfs/dbraw/zinc/34/79/01/1412347901.db2.gz LHPAZSQKPPKSAX-SJORKVTESA-N 1 0 375.469 3.087 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000113901662 1412348761 /nfs/dbraw/zinc/34/87/61/1412348761.db2.gz QCAUOWXASGANPT-GJZGRUSLSA-N 1 0 385.468 3.198 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000113933781 1412354528 /nfs/dbraw/zinc/35/45/28/1412354528.db2.gz RPYRTQFBZQJMNV-ROUUACIJSA-N 1 0 388.512 3.428 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000113934483 1412355126 /nfs/dbraw/zinc/35/51/26/1412355126.db2.gz JPZAVXGYQQTFKU-ROUUACIJSA-N 1 0 388.512 3.428 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000113934484 1412355303 /nfs/dbraw/zinc/35/53/03/1412355303.db2.gz JPZAVXGYQQTFKU-ZWKOTPCHSA-N 1 0 388.512 3.428 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000113945033 1412357451 /nfs/dbraw/zinc/35/74/51/1412357451.db2.gz VPACJRGINARQHY-CABCVRRESA-N 1 0 399.488 3.009 20 5 GGBDRO Cc1ccc(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)c(C[NH+](C)C)c1 ZINC000113989146 1412363985 /nfs/dbraw/zinc/36/39/85/1412363985.db2.gz PXMALXARLWWMHC-UHFFFAOYSA-N 1 0 380.404 3.059 20 5 GGBDRO CC(C)C[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[NH+](C)C ZINC000114140440 1412382889 /nfs/dbraw/zinc/38/28/89/1412382889.db2.gz GLQXCJNAKFYDSB-KRWDZBQOSA-N 1 0 379.504 3.247 20 5 GGBDRO CC(C)CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000114143053 1412383553 /nfs/dbraw/zinc/38/35/53/1412383553.db2.gz OQPKWYXCOKQKAN-UHFFFAOYSA-N 1 0 388.512 3.387 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC000114192047 1412391434 /nfs/dbraw/zinc/39/14/34/1412391434.db2.gz ONDPVGRYZUZYGQ-FQEVSTJZSA-N 1 0 383.448 3.214 20 5 GGBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000114199940 1412392946 /nfs/dbraw/zinc/39/29/46/1412392946.db2.gz RASWRODRBIWTGB-UTKZUKDTSA-N 1 0 396.491 3.467 20 5 GGBDRO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000114200547 1412393757 /nfs/dbraw/zinc/39/37/57/1412393757.db2.gz IQHKWWOVHNJDCG-UHFFFAOYSA-N 1 0 382.464 3.130 20 5 GGBDRO O=[N+]([O-])c1cc(C[N@@H+](CCO)[C@H]2CCCc3ccccc32)c2c(c1)COCO2 ZINC000114468636 1412439945 /nfs/dbraw/zinc/43/99/45/1412439945.db2.gz JGFZICVBBPSPKZ-FQEVSTJZSA-N 1 0 384.432 3.333 20 5 GGBDRO CCCC[N@H+](C)CC1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000114475765 1412440807 /nfs/dbraw/zinc/44/08/07/1412440807.db2.gz NNTADZKZOFJSOX-UHFFFAOYSA-N 1 0 376.501 3.002 20 5 GGBDRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000114644004 1412484504 /nfs/dbraw/zinc/48/45/04/1412484504.db2.gz VTIIGNKELRCJGW-AWEZNQCLSA-N 1 0 375.375 3.267 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000114748851 1412517982 /nfs/dbraw/zinc/51/79/82/1412517982.db2.gz SDDDLFVIALHSJX-CABCVRRESA-N 1 0 396.447 3.399 20 5 GGBDRO COc1cc(CC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000114770532 1412521153 /nfs/dbraw/zinc/52/11/53/1412521153.db2.gz BJTLVHNFJHWLLU-UHFFFAOYSA-N 1 0 382.420 3.042 20 5 GGBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000177258224 1428656897 /nfs/dbraw/zinc/65/68/97/1428656897.db2.gz FUPCEIYLXSCWHM-UHFFFAOYSA-N 1 0 397.479 3.307 20 5 GGBDRO CC1CCN(c2ccc(C(=O)N(C)C[C@@H]3CCC[N@H+](C)C3)cc2[N+](=O)[O-])CC1 ZINC000115440970 1412677645 /nfs/dbraw/zinc/67/76/45/1412677645.db2.gz JQKLURDNPVCYLA-QGZVFWFLSA-N 1 0 388.512 3.245 20 5 GGBDRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000115512603 1412698877 /nfs/dbraw/zinc/69/88/77/1412698877.db2.gz APSIRNXWKUKNKS-DOTOQJQBSA-N 1 0 394.431 3.199 20 5 GGBDRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000115512598 1412699228 /nfs/dbraw/zinc/69/92/28/1412699228.db2.gz APSIRNXWKUKNKS-RDJZCZTQSA-N 1 0 394.431 3.199 20 5 GGBDRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000115512595 1412699392 /nfs/dbraw/zinc/69/93/92/1412699392.db2.gz APSIRNXWKUKNKS-WBVHZDCISA-N 1 0 394.431 3.199 20 5 GGBDRO C[N@H+](CCCO)C1CCN(Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000115549225 1412705634 /nfs/dbraw/zinc/70/56/34/1412705634.db2.gz CWCRGAJWAGPOFX-UHFFFAOYSA-N 1 0 380.488 3.225 20 5 GGBDRO CCOC(=O)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CCCC1 ZINC000177295634 1428676571 /nfs/dbraw/zinc/67/65/71/1428676571.db2.gz ZBAPTBNGVZBZNU-UHFFFAOYSA-N 1 0 377.441 3.040 20 5 GGBDRO CCOc1cc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000115904832 1412813704 /nfs/dbraw/zinc/81/37/04/1412813704.db2.gz VSTUMLZDYICGDB-JLTOFOAXSA-N 1 0 393.484 3.242 20 5 GGBDRO Cc1c(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000116126962 1412834286 /nfs/dbraw/zinc/83/42/86/1412834286.db2.gz HLMLETBZZKIHJM-OAHLLOKOSA-N 1 0 380.445 3.216 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1SC ZINC000116130912 1412834822 /nfs/dbraw/zinc/83/48/22/1412834822.db2.gz IUIOKRGBTIXURO-INIZCTEOSA-N 1 0 383.514 3.422 20 5 GGBDRO CC(C)NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000116363545 1412852974 /nfs/dbraw/zinc/85/29/74/1412852974.db2.gz YVLDCJCQUMXRHF-WMZOPIPTSA-N 1 0 399.495 3.168 20 5 GGBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116388918 1412854331 /nfs/dbraw/zinc/85/43/31/1412854331.db2.gz SBRSSLXHSHJMCC-HZPDHXFCSA-N 1 0 380.920 3.239 20 5 GGBDRO Cc1n[nH]c(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000116448985 1412861928 /nfs/dbraw/zinc/86/19/28/1412861928.db2.gz IIJXYMLVQGXNJQ-UHFFFAOYSA-N 1 0 385.468 3.321 20 5 GGBDRO C[NH+](C)CCOc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000116816061 1412929300 /nfs/dbraw/zinc/92/93/00/1412929300.db2.gz ONWCLRVLTFEGDK-UHFFFAOYSA-N 1 0 393.827 3.206 20 5 GGBDRO Cc1ccc(OC2CC[NH+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000116883319 1412948728 /nfs/dbraw/zinc/94/87/28/1412948728.db2.gz FWQGMWDNRZLFMF-GOSISDBHSA-N 1 0 386.448 3.186 20 5 GGBDRO C[S@](=O)CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000116919910 1412955393 /nfs/dbraw/zinc/95/53/93/1412955393.db2.gz DZJJWHHSLHOXHM-MUUNZHRXSA-N 1 0 398.488 3.306 20 5 GGBDRO CCOC(=O)c1cc(C(=O)Nc2cc(C[NH+](C)C)ccc2C)cc([N+](=O)[O-])c1 ZINC000177330274 1428693019 /nfs/dbraw/zinc/69/30/19/1428693019.db2.gz RGPQUAXHBSPMET-UHFFFAOYSA-N 1 0 385.420 3.394 20 5 GGBDRO CCCO[C@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000117340582 1413027242 /nfs/dbraw/zinc/02/72/42/1413027242.db2.gz XEWDBRXRQYUZLG-INIZCTEOSA-N 1 0 377.441 3.174 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC1([NH+]2CCSCC2)CCCC1 ZINC000117606808 1413055460 /nfs/dbraw/zinc/05/54/60/1413055460.db2.gz NMRDUZPNKKIEBQ-UHFFFAOYSA-N 1 0 397.928 3.269 20 5 GGBDRO C[C@H]1CCC[C@@](CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)([NH+](C)C)C1 ZINC000117704706 1413067993 /nfs/dbraw/zinc/06/79/93/1413067993.db2.gz WDTZWCKNLPZYBR-MGPUTAFESA-N 1 0 385.468 3.021 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1cccc(F)c1 ZINC000117746596 1413074500 /nfs/dbraw/zinc/07/45/00/1413074500.db2.gz IJDLTPCMNNNLJA-QGZVFWFLSA-N 1 0 379.819 3.349 20 5 GGBDRO C[NH+](C)CCOc1cccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000117784903 1413078762 /nfs/dbraw/zinc/07/87/62/1413078762.db2.gz FMLNJVLDCCURJU-UHFFFAOYSA-N 1 0 391.855 3.048 20 5 GGBDRO C[C@]([NH2+]CCc1ccc([N+](=O)[O-])cc1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000177374554 1428709378 /nfs/dbraw/zinc/70/93/78/1428709378.db2.gz LNMAXEWUVWFSJI-QGZVFWFLSA-N 1 0 381.354 3.146 20 5 GGBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000118832788 1413236768 /nfs/dbraw/zinc/23/67/68/1413236768.db2.gz VHZHPIUBPNCCKC-ZWKOTPCHSA-N 1 0 388.512 3.366 20 5 GGBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000118832785 1413236827 /nfs/dbraw/zinc/23/68/27/1413236827.db2.gz VHZHPIUBPNCCKC-ROUUACIJSA-N 1 0 388.512 3.366 20 5 GGBDRO Cc1c(NC(=O)CC[NH+]2CCN([C@@H](C)c3cccnc3)CC2)cccc1[N+](=O)[O-] ZINC000118835510 1413237897 /nfs/dbraw/zinc/23/78/97/1413237897.db2.gz XUCHXTXIICUXEN-KRWDZBQOSA-N 1 0 397.479 3.006 20 5 GGBDRO CN(Cc1ccccc1)CC(C)(C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000118986842 1413290659 /nfs/dbraw/zinc/29/06/59/1413290659.db2.gz DDJZYMRAWLGERR-UHFFFAOYSA-N 1 0 384.480 3.058 20 5 GGBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000119347016 1413418927 /nfs/dbraw/zinc/41/89/27/1413418927.db2.gz IMHHUXNLSWYODA-RHSMWYFYSA-N 1 0 386.477 3.275 20 5 GGBDRO COC(=O)[C@H](C)[C@@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000177417436 1428727860 /nfs/dbraw/zinc/72/78/60/1428727860.db2.gz CMTKRWNASNPDIJ-FOIQADDNSA-N 1 0 399.447 3.372 20 5 GGBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1 ZINC000119416049 1413440478 /nfs/dbraw/zinc/44/04/78/1413440478.db2.gz RZJXOFJIZYOAQW-UHFFFAOYSA-N 1 0 390.827 3.391 20 5 GGBDRO COC(=O)[C@@H](C)[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000177418712 1428728265 /nfs/dbraw/zinc/72/82/65/1428728265.db2.gz RPXAQBJTWGUIGZ-MGPUTAFESA-N 1 0 399.447 3.372 20 5 GGBDRO COC(=O)[C@H](C)[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000177418683 1428728580 /nfs/dbraw/zinc/72/85/80/1428728580.db2.gz RPXAQBJTWGUIGZ-FOIQADDNSA-N 1 0 399.447 3.372 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CCN(CC[NH+]4CCCC4)CC3)o2)c1 ZINC000119527820 1413476093 /nfs/dbraw/zinc/47/60/93/1413476093.db2.gz VUBIVVPWFWWGGL-UHFFFAOYSA-N 1 0 384.480 3.068 20 5 GGBDRO Cc1c(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000119570732 1413489131 /nfs/dbraw/zinc/48/91/31/1413489131.db2.gz UUYNGYRGNJHGQA-UGSOOPFHSA-N 1 0 398.419 3.062 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000119657174 1413518637 /nfs/dbraw/zinc/51/86/37/1413518637.db2.gz WFLKUNMDTOCCLN-KUHUBIRLSA-N 1 0 387.867 3.427 20 5 GGBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000119672458 1413525615 /nfs/dbraw/zinc/52/56/15/1413525615.db2.gz DVACMOWYAQFTGZ-OAHLLOKOSA-N 1 0 388.493 3.097 20 5 GGBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000119901466 1413610651 /nfs/dbraw/zinc/61/06/51/1413610651.db2.gz QFRAYZVGJJDPFL-UHFFFAOYSA-N 1 0 398.438 3.348 20 5 GGBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000119963124 1413633924 /nfs/dbraw/zinc/63/39/24/1413633924.db2.gz NDJYQYVFTMQJKK-SUMWQHHRSA-N 1 0 398.419 3.062 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000120021530 1413656341 /nfs/dbraw/zinc/65/63/41/1413656341.db2.gz GKBMNAHNCVWNHZ-MJGOQNOKSA-N 1 0 390.484 3.101 20 5 GGBDRO Cc1c(CO)cc([N+](=O)[O-])c(NCCC[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000120021361 1413656470 /nfs/dbraw/zinc/65/64/70/1413656470.db2.gz JZLGRJFWIWWPJO-UHFFFAOYSA-N 1 0 388.424 3.238 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000120021999 1413657066 /nfs/dbraw/zinc/65/70/66/1413657066.db2.gz GKBMNAHNCVWNHZ-PKOBYXMFSA-N 1 0 390.484 3.101 20 5 GGBDRO Cn1cc(C[N@H+](C)Cc2ccc3c(c2)OCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000120046534 1413666436 /nfs/dbraw/zinc/66/64/36/1413666436.db2.gz IJEKOESVBPUOBE-UHFFFAOYSA-N 1 0 380.404 3.356 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)Cc1ccccc1 ZINC000120081688 1413680313 /nfs/dbraw/zinc/68/03/13/1413680313.db2.gz MVXLSZYHVWMAJP-FQEVSTJZSA-N 1 0 396.491 3.442 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000120182105 1413721318 /nfs/dbraw/zinc/72/13/18/1413721318.db2.gz GMBFJXUIVZCSSW-UHFFFAOYSA-N 1 0 386.452 3.474 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000120419469 1413813621 /nfs/dbraw/zinc/81/36/21/1413813621.db2.gz KENPVHVYPQAQBX-UWJYYQICSA-N 1 0 396.491 3.347 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000120463277 1413823741 /nfs/dbraw/zinc/82/37/41/1413823741.db2.gz JGTKEUTWIJBUQH-IBGZPJMESA-N 1 0 386.427 3.105 20 5 GGBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000120597058 1413851165 /nfs/dbraw/zinc/85/11/65/1413851165.db2.gz QACFZLZBZZLARE-DOTOQJQBSA-N 1 0 396.875 3.138 20 5 GGBDRO CCO[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1(C)C ZINC000120603073 1413852501 /nfs/dbraw/zinc/85/25/01/1413852501.db2.gz PRWZLCQXPFKMNJ-DLBZAZTESA-N 1 0 379.457 3.067 20 5 GGBDRO CCO[C@H]1C[C@@H]([N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1(C)C ZINC000120650730 1413865710 /nfs/dbraw/zinc/86/57/10/1413865710.db2.gz COUBKAAXAZGODU-SJORKVTESA-N 1 0 377.441 3.028 20 5 GGBDRO COc1cc(CN2CCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000120705072 1413879837 /nfs/dbraw/zinc/87/98/37/1413879837.db2.gz VRVGGNMRHQFAND-AWEZNQCLSA-N 1 0 385.411 3.265 20 5 GGBDRO COc1ccc([C@@H](C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)N2CCOCC2)cc1 ZINC000120820262 1413914031 /nfs/dbraw/zinc/91/40/31/1413914031.db2.gz OYXDTDQIHPBWGN-OAQYLSRUSA-N 1 0 385.464 3.075 20 5 GGBDRO CCC[NH+]1CCC(N(C)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000120868746 1413932276 /nfs/dbraw/zinc/93/22/76/1413932276.db2.gz VBDHTDDIKUFNEE-UHFFFAOYSA-N 1 0 376.501 3.433 20 5 GGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000120921952 1413948978 /nfs/dbraw/zinc/94/89/78/1413948978.db2.gz AYCJWIJOLOPESY-HUUCEWRRSA-N 1 0 395.525 3.326 20 5 GGBDRO Cc1cc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc([N+](=O)[O-])c1 ZINC000121093004 1414004661 /nfs/dbraw/zinc/00/46/61/1414004661.db2.gz VNQPVHIKNWBOBR-UHFFFAOYSA-N 1 0 383.448 3.360 20 5 GGBDRO CC(C)[C@H](CO)[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000121100649 1414007577 /nfs/dbraw/zinc/00/75/77/1414007577.db2.gz OVCAURYTNFBGJX-FQEVSTJZSA-N 1 0 385.464 3.077 20 5 GGBDRO CC(C)[C@H](CO)[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccccc1 ZINC000121101731 1414008512 /nfs/dbraw/zinc/00/85/12/1414008512.db2.gz UAIKPTJGPZMXEV-NRFANRHFSA-N 1 0 397.475 3.003 20 5 GGBDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000121119726 1414014575 /nfs/dbraw/zinc/01/45/75/1414014575.db2.gz SCELCBHKJOBAGF-GOEBONIOSA-N 1 0 387.484 3.227 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](Cc1ccccc1)[C@@H](CO)C(C)C ZINC000121125553 1414016806 /nfs/dbraw/zinc/01/68/06/1414016806.db2.gz KLQYSQLAASECAH-FQEVSTJZSA-N 1 0 385.464 3.361 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](Cc1ccccc1)[C@H](CO)C(C)C ZINC000121125715 1414016855 /nfs/dbraw/zinc/01/68/55/1414016855.db2.gz KLQYSQLAASECAH-HXUWFJFHSA-N 1 0 385.464 3.361 20 5 GGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000121175533 1414033775 /nfs/dbraw/zinc/03/37/75/1414033775.db2.gz HASDUEPHVYDJEK-YJBOKZPZSA-N 1 0 386.452 3.332 20 5 GGBDRO C[NH2+]CCCNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000121279687 1414069577 /nfs/dbraw/zinc/06/95/77/1414069577.db2.gz QKDQVUBYYYCHFK-UHFFFAOYSA-N 1 0 376.844 3.200 20 5 GGBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000177532978 1428784076 /nfs/dbraw/zinc/78/40/76/1428784076.db2.gz FPRZUGREWPWMDL-DGCLKSJQSA-N 1 0 384.383 3.287 20 5 GGBDRO O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000121381968 1414102193 /nfs/dbraw/zinc/10/21/93/1414102193.db2.gz UCQBQKOWOMGCAH-IBGZPJMESA-N 1 0 379.460 3.392 20 5 GGBDRO CCC[NH+]1CCC(N(C)C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000121389317 1414104978 /nfs/dbraw/zinc/10/49/78/1414104978.db2.gz HGSJGIKNNSYUDF-UHFFFAOYSA-N 1 0 391.516 3.221 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000121474120 1414140268 /nfs/dbraw/zinc/14/02/68/1414140268.db2.gz PNWWVMXGZWAPDB-DYVFJYSZSA-N 1 0 383.876 3.115 20 5 GGBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000121608728 1414198084 /nfs/dbraw/zinc/19/80/84/1414198084.db2.gz FXHKGIDUUVXTAT-GOSISDBHSA-N 1 0 387.411 3.066 20 5 GGBDRO CS(=O)(=O)c1cccc(NCc2cccc(C[NH+]3CCCC3)c2)c1[N+](=O)[O-] ZINC000121850397 1414278164 /nfs/dbraw/zinc/27/81/64/1414278164.db2.gz RCEZXWAJVAYCEB-UHFFFAOYSA-N 1 0 389.477 3.206 20 5 GGBDRO CCOc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1OCC ZINC000122277099 1414409481 /nfs/dbraw/zinc/40/94/81/1414409481.db2.gz ULPZHJXVKXREDF-INIZCTEOSA-N 1 0 386.452 3.474 20 5 GGBDRO Cc1ccc([C@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)[NH+](C)C)cc1 ZINC000122356346 1414432628 /nfs/dbraw/zinc/43/26/28/1414432628.db2.gz LQZSUEBEIHBIOQ-FQEVSTJZSA-N 1 0 393.447 3.122 20 5 GGBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccco1 ZINC000122444224 1414461974 /nfs/dbraw/zinc/46/19/74/1414461974.db2.gz ZSSXZEFCFKMCEL-GOSISDBHSA-N 1 0 397.435 3.186 20 5 GGBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000122498213 1414481835 /nfs/dbraw/zinc/48/18/35/1414481835.db2.gz PUXXEHVASVGTIV-HOTGVXAUSA-N 1 0 380.920 3.239 20 5 GGBDRO CNC(=O)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000122526301 1414490725 /nfs/dbraw/zinc/49/07/25/1414490725.db2.gz OJPBUTICTWXXTE-UHFFFAOYSA-N 1 0 377.828 3.466 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000122738274 1414553315 /nfs/dbraw/zinc/55/33/15/1414553315.db2.gz INKLUCKVTNMELI-INIZCTEOSA-N 1 0 376.388 3.167 20 5 GGBDRO CCN(C[C@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1)CC(F)(F)F ZINC000177638798 1428819609 /nfs/dbraw/zinc/81/96/09/1428819609.db2.gz SRWGKUHJMGDTDN-CYBMUJFWSA-N 1 0 385.390 3.108 20 5 GGBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000122875868 1414586955 /nfs/dbraw/zinc/58/69/55/1414586955.db2.gz OKTRASPFGJKMMG-UHFFFAOYSA-N 1 0 389.477 3.403 20 5 GGBDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000123148564 1414653653 /nfs/dbraw/zinc/65/36/53/1414653653.db2.gz AWZYWFWRBHEJBG-CQSZACIVSA-N 1 0 387.436 3.161 20 5 GGBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000123184753 1414663419 /nfs/dbraw/zinc/66/34/19/1414663419.db2.gz FLCUXLCTNHRIPC-IBGZPJMESA-N 1 0 382.464 3.425 20 5 GGBDRO CC1CC[NH+](C2CCC(NC(=O)NCCc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000123207623 1414668091 /nfs/dbraw/zinc/66/80/91/1414668091.db2.gz KUAVDLPNCSHBAY-UHFFFAOYSA-N 1 0 388.512 3.480 20 5 GGBDRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000123246975 1414677792 /nfs/dbraw/zinc/67/77/92/1414677792.db2.gz BFLFNGNJXGTXAC-CQSZACIVSA-N 1 0 377.466 3.250 20 5 GGBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000123472102 1414744122 /nfs/dbraw/zinc/74/41/22/1414744122.db2.gz OFLVRIOYKLABCX-UHFFFAOYSA-N 1 0 385.439 3.447 20 5 GGBDRO C[NH+]1CCN(c2ccc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)cc2)CC1 ZINC000123599939 1414790532 /nfs/dbraw/zinc/79/05/32/1414790532.db2.gz ILXIEVLJRQHBHG-UHFFFAOYSA-N 1 0 393.447 3.009 20 5 GGBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000124161832 1414897424 /nfs/dbraw/zinc/89/74/24/1414897424.db2.gz VKWOYALKGBRQEU-UHFFFAOYSA-N 1 0 398.463 3.499 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000124299723 1414933051 /nfs/dbraw/zinc/93/30/51/1414933051.db2.gz UGFUSULSPFAFEM-KRWDZBQOSA-N 1 0 383.448 3.497 20 5 GGBDRO COc1ccc(-c2ccc(C[NH2+]CCn3cnnc3C3CC3)o2)c([N+](=O)[O-])c1 ZINC000124301187 1414933458 /nfs/dbraw/zinc/93/34/58/1414933458.db2.gz NMUJZPRNMJJLIY-UHFFFAOYSA-N 1 0 383.408 3.122 20 5 GGBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000124353438 1414947220 /nfs/dbraw/zinc/94/72/20/1414947220.db2.gz ZIOILRQRPGEHJL-KRWDZBQOSA-N 1 0 388.512 3.293 20 5 GGBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000124408304 1414960903 /nfs/dbraw/zinc/96/09/03/1414960903.db2.gz DDOOTMRCLMXSMV-CABCVRRESA-N 1 0 397.903 3.500 20 5 GGBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000124408085 1414961117 /nfs/dbraw/zinc/96/11/17/1414961117.db2.gz DDOOTMRCLMXSMV-HUUCEWRRSA-N 1 0 397.903 3.500 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)C1CC1 ZINC000177771292 1428854649 /nfs/dbraw/zinc/85/46/49/1428854649.db2.gz GWMTWAPSZXAJOI-HXUWFJFHSA-N 1 0 377.448 3.346 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000124607460 1415004212 /nfs/dbraw/zinc/00/42/12/1415004212.db2.gz HGJCSCXMSUEJCT-INIZCTEOSA-N 1 0 377.441 3.291 20 5 GGBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000124786783 1415043693 /nfs/dbraw/zinc/04/36/93/1415043693.db2.gz PRUPNLMUFLJKIT-PMACEKPBSA-N 1 0 388.512 3.004 20 5 GGBDRO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000124930968 1415075026 /nfs/dbraw/zinc/07/50/26/1415075026.db2.gz WLPUMRQMOJSAAO-AZUAARDMSA-N 1 0 386.448 3.256 20 5 GGBDRO Cc1ccc([C@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[NH+]2CCCC2)o1 ZINC000125168012 1415122768 /nfs/dbraw/zinc/12/27/68/1415122768.db2.gz AOMQCSSJILUABV-IBGZPJMESA-N 1 0 396.447 3.473 20 5 GGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000125308780 1415159299 /nfs/dbraw/zinc/15/92/99/1415159299.db2.gz PFFDHJCEUWIYKZ-BEFAXECRSA-N 1 0 387.480 3.357 20 5 GGBDRO CC[NH+](CC)[C@@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000125435476 1415197175 /nfs/dbraw/zinc/19/71/75/1415197175.db2.gz ZYEPVGSYJGDKJX-FXAWDEMLSA-N 1 0 397.479 3.086 20 5 GGBDRO CCOC(=O)N[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CC(C)C ZINC000125590007 1415233253 /nfs/dbraw/zinc/23/32/53/1415233253.db2.gz PMFSHWVENUSVHO-KRWDZBQOSA-N 1 0 392.500 3.314 20 5 GGBDRO Cc1ccc([C@H](C)NC(=O)CC2([NH+]3CCOCC3)CCCC2)cc1[N+](=O)[O-] ZINC000177876397 1428880101 /nfs/dbraw/zinc/88/01/01/1428880101.db2.gz VSDAJRHJIXMPFB-INIZCTEOSA-N 1 0 375.469 3.116 20 5 GGBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1 ZINC000125809057 1415286725 /nfs/dbraw/zinc/28/67/25/1415286725.db2.gz LTDDKQRBNAUMLJ-WFASDCNBSA-N 1 0 382.363 3.287 20 5 GGBDRO COc1ccc(CCC[N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000125877659 1415303155 /nfs/dbraw/zinc/30/31/55/1415303155.db2.gz UHHJLKQBBODIKY-UHFFFAOYSA-N 1 0 383.448 3.057 20 5 GGBDRO Cc1ccccc1[C@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000126198746 1415382627 /nfs/dbraw/zinc/38/26/27/1415382627.db2.gz OHEAILDFIOHUBV-HXUWFJFHSA-N 1 0 397.431 3.275 20 5 GGBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000126238749 1415391201 /nfs/dbraw/zinc/39/12/01/1415391201.db2.gz YOUCAAQONDFFDN-MRXNPFEDSA-N 1 0 399.495 3.181 20 5 GGBDRO Cc1c(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000126253243 1415395260 /nfs/dbraw/zinc/39/52/60/1415395260.db2.gz OYJLJXLBFAKCKN-ZDUSSCGKSA-N 1 0 392.456 3.362 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000126383658 1415431642 /nfs/dbraw/zinc/43/16/42/1415431642.db2.gz YTICXATZALUELW-ZWKOTPCHSA-N 1 0 390.484 3.101 20 5 GGBDRO NC(=O)C1CC[NH+](CCc2ccc(NCc3csc([N+](=O)[O-])c3)cc2)CC1 ZINC000126543591 1415484403 /nfs/dbraw/zinc/48/44/03/1415484403.db2.gz PDVBNAFFUCJSHO-UHFFFAOYSA-N 1 0 388.493 3.008 20 5 GGBDRO O=C(Cc1cccc(F)c1)N1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000178031372 1428945736 /nfs/dbraw/zinc/94/57/36/1428945736.db2.gz JUBONDXNWXNUGH-UHFFFAOYSA-N 1 0 385.439 3.053 20 5 GGBDRO COc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000178054227 1428957892 /nfs/dbraw/zinc/95/78/92/1428957892.db2.gz OWKWVQMHTXSSDS-KRWDZBQOSA-N 1 0 383.448 3.245 20 5 GGBDRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000126993546 1415629862 /nfs/dbraw/zinc/62/98/62/1415629862.db2.gz SOVHWLHDGIQYDG-UHFFFAOYSA-N 1 0 387.411 3.191 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000127009407 1415634641 /nfs/dbraw/zinc/63/46/41/1415634641.db2.gz CCXSWRZNPOBXRN-UHFFFAOYSA-N 1 0 383.448 3.360 20 5 GGBDRO COc1cc(CN2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000127019037 1415638900 /nfs/dbraw/zinc/63/89/00/1415638900.db2.gz PZQZFLRBPUXRLY-UHFFFAOYSA-N 1 0 391.390 3.071 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000127076561 1415656432 /nfs/dbraw/zinc/65/64/32/1415656432.db2.gz HOQOYBZKVDXPKJ-UHFFFAOYSA-N 1 0 399.447 3.060 20 5 GGBDRO COc1cc(C[NH+]2CCC(CO)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000127094180 1415659446 /nfs/dbraw/zinc/65/94/46/1415659446.db2.gz CYHAXMDMZONJNZ-UHFFFAOYSA-N 1 0 386.448 3.387 20 5 GGBDRO COc1ccc([C@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C(C)C)cc1 ZINC000127157405 1415674533 /nfs/dbraw/zinc/67/45/33/1415674533.db2.gz AFEHJFRDFGVXKZ-OAQYLSRUSA-N 1 0 383.448 3.479 20 5 GGBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000127200509 1415685063 /nfs/dbraw/zinc/68/50/63/1415685063.db2.gz ZQKCTGCVBMHWAF-UHFFFAOYSA-N 1 0 399.495 3.182 20 5 GGBDRO O=C(NC[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000178062099 1428963743 /nfs/dbraw/zinc/96/37/43/1428963743.db2.gz ZJHAYFJCMJHQMZ-KRWDZBQOSA-N 1 0 383.448 3.116 20 5 GGBDRO Cc1cc(F)cc(C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000127326837 1415738677 /nfs/dbraw/zinc/73/86/77/1415738677.db2.gz MVQBEJZHHSQWJE-UHFFFAOYSA-N 1 0 388.399 3.185 20 5 GGBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127506582 1415801925 /nfs/dbraw/zinc/80/19/25/1415801925.db2.gz BNBVILCEYSCSFU-QGZVFWFLSA-N 1 0 386.496 3.143 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000127822266 1415856992 /nfs/dbraw/zinc/85/69/92/1415856992.db2.gz NHSGEMNNSVZKFJ-UHFFFAOYSA-N 1 0 386.452 3.474 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000127858883 1415864564 /nfs/dbraw/zinc/86/45/64/1415864564.db2.gz QQBYTCPTPBGLOI-UHFFFAOYSA-N 1 0 390.484 3.320 20 5 GGBDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000178182737 1429011195 /nfs/dbraw/zinc/01/11/95/1429011195.db2.gz QQCBPQXWHLBFHC-UHFFFAOYSA-N 1 0 386.477 3.287 20 5 GGBDRO O=C(C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000128003052 1415891486 /nfs/dbraw/zinc/89/14/86/1415891486.db2.gz VZSGMJCATFEPLM-HIFRSBDPSA-N 1 0 377.832 3.157 20 5 GGBDRO C[C@H]1C[NH+](CCC2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000178237768 1429027382 /nfs/dbraw/zinc/02/73/82/1429027382.db2.gz OSJQWVCTQAVZNC-KBPBESRZSA-N 1 0 381.498 3.008 20 5 GGBDRO O=C(CC[N@@H+]1CCCN(c2ccccc2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128338879 1415965807 /nfs/dbraw/zinc/96/58/07/1415965807.db2.gz VMSXZGWTFXSUJD-UHFFFAOYSA-N 1 0 386.427 3.275 20 5 GGBDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C[C@H](C)O1 ZINC000178233289 1429025556 /nfs/dbraw/zinc/02/55/56/1429025556.db2.gz OBESSMBQKAEETM-OKILXGFUSA-N 1 0 381.498 3.008 20 5 GGBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000128417430 1415982513 /nfs/dbraw/zinc/98/25/13/1415982513.db2.gz LHIBMJNOGMJIBO-CHWSQXEVSA-N 1 0 398.250 3.087 20 5 GGBDRO CC[C@H](Cc1ccccc1)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000128657720 1416035041 /nfs/dbraw/zinc/03/50/41/1416035041.db2.gz UIPKHIXUDQLHND-OAHLLOKOSA-N 1 0 385.420 3.215 20 5 GGBDRO Cc1cc(C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc([N+](=O)[O-])c1 ZINC000178246864 1429031458 /nfs/dbraw/zinc/03/14/58/1429031458.db2.gz AGTPTFQBAIKWFM-IAGOWNOFSA-N 1 0 389.496 3.255 20 5 GGBDRO CC[NH+](CC)[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])Cc1ccccc1 ZINC000178335461 1429054211 /nfs/dbraw/zinc/05/42/11/1429054211.db2.gz KNXFRAOLQIFMNO-INIZCTEOSA-N 1 0 395.463 3.196 20 5 GGBDRO CC[NH+](CC)[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])Cc1ccccc1 ZINC000178335473 1429054381 /nfs/dbraw/zinc/05/43/81/1429054381.db2.gz KNXFRAOLQIFMNO-MRXNPFEDSA-N 1 0 395.463 3.196 20 5 GGBDRO CC1CC[NH+](C2CCC(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC2)CC1 ZINC000128823316 1416078087 /nfs/dbraw/zinc/07/80/87/1416078087.db2.gz QATFMNSJGDDEQY-UHFFFAOYSA-N 1 0 390.440 3.276 20 5 GGBDRO C[N@H+](CCOCc1ccccc1)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128888017 1416093134 /nfs/dbraw/zinc/09/31/34/1416093134.db2.gz CELCWAPSAJVIPM-UHFFFAOYSA-N 1 0 375.400 3.211 20 5 GGBDRO CC1CC[NH+](C2CCC(NC(=O)c3cc([N+](=O)[O-])ccc3N(C)C)CC2)CC1 ZINC000128903103 1416097492 /nfs/dbraw/zinc/09/74/92/1416097492.db2.gz WBLRAKYNCWSSEH-UHFFFAOYSA-N 1 0 388.512 3.434 20 5 GGBDRO CC1CC[NH+](C2CCC(NC(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)CC2)CC1 ZINC000128967888 1416115927 /nfs/dbraw/zinc/11/59/27/1416115927.db2.gz IVTKKBKMKGWOHR-UHFFFAOYSA-N 1 0 385.468 3.244 20 5 GGBDRO CCCOc1ccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000129015709 1416126010 /nfs/dbraw/zinc/12/60/10/1416126010.db2.gz NYSPKHDFEUNCPG-UHFFFAOYSA-N 1 0 383.448 3.342 20 5 GGBDRO C[NH+](C)Cc1ccc(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000129109957 1416147334 /nfs/dbraw/zinc/14/73/34/1416147334.db2.gz AJDSBXOYDSAHOI-UHFFFAOYSA-N 1 0 391.855 3.395 20 5 GGBDRO Cc1ccc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c(C[NH+](C)C)c1 ZINC000178420232 1429073418 /nfs/dbraw/zinc/07/34/18/1429073418.db2.gz UMKOQLURLCUYLX-UHFFFAOYSA-N 1 0 377.466 3.382 20 5 GGBDRO C[C@@H]([NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)[C@H]1CN(C)CCO1 ZINC000129313983 1416189674 /nfs/dbraw/zinc/18/96/74/1416189674.db2.gz NNVOOYFLYYACAB-IIBYNOLFSA-N 1 0 384.480 3.171 20 5 GGBDRO C[C@H]([NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)[C@H]1CN(C)CCO1 ZINC000129313733 1416189680 /nfs/dbraw/zinc/18/96/80/1416189680.db2.gz NNVOOYFLYYACAB-HRAATJIYSA-N 1 0 384.480 3.171 20 5 GGBDRO O=c1cc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c2c(ccc3ccccc32)o1 ZINC000129509615 1416220589 /nfs/dbraw/zinc/22/05/89/1416220589.db2.gz YFXCSQKTDLBDKG-KRWDZBQOSA-N 1 0 378.472 3.100 20 5 GGBDRO C[C@H]1C[NH+](CCCCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000129642364 1416241861 /nfs/dbraw/zinc/24/18/61/1416241861.db2.gz PSQWJTXFDPPJOI-STQMWFEESA-N 1 0 384.864 3.259 20 5 GGBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000129642099 1416241898 /nfs/dbraw/zinc/24/18/98/1416241898.db2.gz PSQWJTXFDPPJOI-BETUJISGSA-N 1 0 384.864 3.259 20 5 GGBDRO CS(=O)(=O)c1ccc(N2CCC(CCC[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000129653043 1416243548 /nfs/dbraw/zinc/24/35/48/1416243548.db2.gz PBDBBQBLDLGUFA-UHFFFAOYSA-N 1 0 395.525 3.091 20 5 GGBDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000129684683 1416248051 /nfs/dbraw/zinc/24/80/51/1416248051.db2.gz JTXPFWLWLDXUEJ-INIZCTEOSA-N 1 0 395.419 3.392 20 5 GGBDRO O=C(CC[NH2+][C@H](CCCO)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129893974 1416281387 /nfs/dbraw/zinc/28/13/87/1416281387.db2.gz KIXFIEQIURPSKB-QGZVFWFLSA-N 1 0 375.400 3.166 20 5 GGBDRO COC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccc(F)c(F)c1 ZINC000129942550 1416288723 /nfs/dbraw/zinc/28/87/23/1416288723.db2.gz IKBQICOXHBEETH-QGZVFWFLSA-N 1 0 397.353 3.318 20 5 GGBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(CO)CCOCC2)ccc1Oc1ccc(F)cc1 ZINC000130034011 1416305662 /nfs/dbraw/zinc/30/56/62/1416305662.db2.gz ZDEQWJYYSCMDBB-UHFFFAOYSA-N 1 0 390.411 3.405 20 5 GGBDRO COc1ccc(-c2ccc(C[NH+]3CCC(C4OCCO4)CC3)o2)c([N+](=O)[O-])c1 ZINC000130089913 1416316178 /nfs/dbraw/zinc/31/61/78/1416316178.db2.gz PWICHSKLHZIJGD-UHFFFAOYSA-N 1 0 388.420 3.448 20 5 GGBDRO Cc1csc(C2([NH2+]C[C@H](O)COc3ccccc3[N+](=O)[O-])CCCC2)n1 ZINC000130111173 1416320319 /nfs/dbraw/zinc/32/03/19/1416320319.db2.gz GKJOJXBLRYXSCU-AWEZNQCLSA-N 1 0 377.466 3.159 20 5 GGBDRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000130126349 1416323292 /nfs/dbraw/zinc/32/32/92/1416323292.db2.gz FKHWSPCLSNXUDR-UHFFFAOYSA-N 1 0 381.473 3.215 20 5 GGBDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000130724814 1416434731 /nfs/dbraw/zinc/43/47/31/1416434731.db2.gz XLASANYGDHRVLY-IBGZPJMESA-N 1 0 391.493 3.097 20 5 GGBDRO Cc1cc(NC(=O)CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n(C(C)(C)C)n1 ZINC000130731201 1416437437 /nfs/dbraw/zinc/43/74/37/1416437437.db2.gz ABULUOCXIGGJIC-UHFFFAOYSA-N 1 0 385.468 3.458 20 5 GGBDRO COc1cc(OC)cc([C@@H](O)C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000130872507 1416472980 /nfs/dbraw/zinc/47/29/80/1416472980.db2.gz KQUFQAMUIURYHY-CTNGQTDRSA-N 1 0 386.448 3.256 20 5 GGBDRO COc1ccc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1OC ZINC000131066230 1416503959 /nfs/dbraw/zinc/50/39/59/1416503959.db2.gz QNVNCVMEWMUEOG-UHFFFAOYSA-N 1 0 385.464 3.413 20 5 GGBDRO O=C1NCCCN1C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000131101153 1416508939 /nfs/dbraw/zinc/50/89/39/1416508939.db2.gz RDYQIFURSFASSV-UHFFFAOYSA-N 1 0 384.436 3.235 20 5 GGBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131179333 1416520157 /nfs/dbraw/zinc/52/01/57/1416520157.db2.gz XIKCISGROQTIPQ-UHFFFAOYSA-N 1 0 386.496 3.460 20 5 GGBDRO [NH3+]C[C@H]1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000178550751 1429104552 /nfs/dbraw/zinc/10/45/52/1429104552.db2.gz DSLCEYYFGSSYOI-CYBMUJFWSA-N 1 0 388.855 3.281 20 5 GGBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000131297165 1416536583 /nfs/dbraw/zinc/53/65/83/1416536583.db2.gz DNFSPQOGCMMDNY-KRWDZBQOSA-N 1 0 386.496 3.286 20 5 GGBDRO CC[N@@H+]1CCC[C@@H]1CNCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000131310323 1416538340 /nfs/dbraw/zinc/53/83/40/1416538340.db2.gz SEVNCDGDIHZNBR-CYBMUJFWSA-N 1 0 391.390 3.118 20 5 GGBDRO CCCS(=O)(=O)N1CCC([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000131344882 1416543271 /nfs/dbraw/zinc/54/32/71/1416543271.db2.gz CZADPNXVEDAGEJ-UHFFFAOYSA-N 1 0 383.514 3.012 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)Cc1ccccc1 ZINC000131405024 1416552086 /nfs/dbraw/zinc/55/20/86/1416552086.db2.gz AHZHHZXSACAHDO-OAQYLSRUSA-N 1 0 396.491 3.442 20 5 GGBDRO C[NH+](C)C[C@](C)(O)CNCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000131423579 1416555624 /nfs/dbraw/zinc/55/56/24/1416555624.db2.gz GNHSVICYKCMVTL-LJQANCHMSA-N 1 0 393.871 3.443 20 5 GGBDRO C[NH+](C)C[C@@](C)(O)CNCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000131423772 1416555772 /nfs/dbraw/zinc/55/57/72/1416555772.db2.gz GNHSVICYKCMVTL-IBGZPJMESA-N 1 0 393.871 3.443 20 5 GGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)c1 ZINC000131455641 1416560653 /nfs/dbraw/zinc/56/06/53/1416560653.db2.gz KWBVFFBWYOBJAZ-LJQANCHMSA-N 1 0 375.856 3.411 20 5 GGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccnc(N4CCCC4)c3)CC2)cc1 ZINC000131531843 1416571923 /nfs/dbraw/zinc/57/19/23/1416571923.db2.gz BFOOCLWCNRHDAO-UHFFFAOYSA-N 1 0 381.480 3.349 20 5 GGBDRO CS(=O)(=O)Cc1cccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000131538187 1416572994 /nfs/dbraw/zinc/57/29/94/1416572994.db2.gz PSJQVBGUJZEAFO-IBGZPJMESA-N 1 0 388.489 3.250 20 5 GGBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000131638089 1416588302 /nfs/dbraw/zinc/58/83/02/1416588302.db2.gz KCCPKIUIBRYNJD-UHFFFAOYSA-N 1 0 390.440 3.231 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000131904217 1416646870 /nfs/dbraw/zinc/64/68/70/1416646870.db2.gz GIULJALWOLKZKR-GOSISDBHSA-N 1 0 397.475 3.487 20 5 GGBDRO COc1cc(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000131924937 1416652082 /nfs/dbraw/zinc/65/20/82/1416652082.db2.gz PLNIZKKNNFMOKJ-INIZCTEOSA-N 1 0 383.448 3.340 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000131984316 1416666866 /nfs/dbraw/zinc/66/68/66/1416666866.db2.gz KBJNFOCAHPAAFD-INIZCTEOSA-N 1 0 383.448 3.340 20 5 GGBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000132015130 1416674304 /nfs/dbraw/zinc/67/43/04/1416674304.db2.gz CREIAWFXPGRVPM-HNNXBMFYSA-N 1 0 385.468 3.055 20 5 GGBDRO COc1cc(OC)c(OC)cc1C[N@H+](CCn1ccc([N+](=O)[O-])n1)C(C)(C)C ZINC000132029587 1416677472 /nfs/dbraw/zinc/67/74/72/1416677472.db2.gz RAJDFMKIJTZOBA-UHFFFAOYSA-N 1 0 392.456 3.118 20 5 GGBDRO CC1CC[NH+](C2CCC(Nc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)CC1 ZINC000132167944 1416710744 /nfs/dbraw/zinc/71/07/44/1416710744.db2.gz GEPGZYFQBMJDMO-UHFFFAOYSA-N 1 0 395.525 3.453 20 5 GGBDRO CC1CC[NH+](C2CCC(Nc3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])CC2)CC1 ZINC000132168382 1416710836 /nfs/dbraw/zinc/71/08/36/1416710836.db2.gz FFFMPLGJTZOQCT-UHFFFAOYSA-N 1 0 385.468 3.286 20 5 GGBDRO Cc1c(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000132308649 1416733081 /nfs/dbraw/zinc/73/30/81/1416733081.db2.gz NOPSMAMRXRHENI-LBPRGKRZSA-N 1 0 378.429 3.114 20 5 GGBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000132455367 1416763889 /nfs/dbraw/zinc/76/38/89/1416763889.db2.gz DDPXQBODOJIPEV-HNNXBMFYSA-N 1 0 385.420 3.085 20 5 GGBDRO C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000132500656 1416773648 /nfs/dbraw/zinc/77/36/48/1416773648.db2.gz WXCMTIWGSDNTLC-SJLPKXTDSA-N 1 0 399.495 3.038 20 5 GGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000132533179 1416779906 /nfs/dbraw/zinc/77/99/06/1416779906.db2.gz IZFBVTAXOQNEBU-QUCCMNQESA-N 1 0 385.464 3.125 20 5 GGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000132532959 1416780243 /nfs/dbraw/zinc/78/02/43/1416780243.db2.gz IZFBVTAXOQNEBU-UYAOXDASSA-N 1 0 385.464 3.125 20 5 GGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000132580022 1416787751 /nfs/dbraw/zinc/78/77/51/1416787751.db2.gz JURUBEWGJKLNND-CQSZACIVSA-N 1 0 398.246 3.217 20 5 GGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000132580254 1416787839 /nfs/dbraw/zinc/78/78/39/1416787839.db2.gz JURUBEWGJKLNND-AWEZNQCLSA-N 1 0 398.246 3.217 20 5 GGBDRO C[C@@H]([NH3+])CCNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000178654049 1429130032 /nfs/dbraw/zinc/13/00/32/1429130032.db2.gz SCBHUHMOECPNNX-GFCCVEGCSA-N 1 0 376.844 3.327 20 5 GGBDRO Cc1c(C(=O)N2CCC(CCC[NH+](C)C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000132767252 1416812669 /nfs/dbraw/zinc/81/26/69/1416812669.db2.gz QASUIRBUGHUVJE-UHFFFAOYSA-N 1 0 392.456 3.314 20 5 GGBDRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000132808055 1416817451 /nfs/dbraw/zinc/81/74/51/1416817451.db2.gz RFUSBVDVQKPWIU-UHFFFAOYSA-N 1 0 389.427 3.385 20 5 GGBDRO COc1ccc([C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)c2ccc(F)cc2)cc1 ZINC000132967581 1416836677 /nfs/dbraw/zinc/83/66/77/1416836677.db2.gz YZLISBRSPKYTTI-NRFANRHFSA-N 1 0 397.406 3.283 20 5 GGBDRO CCOC(=O)c1ccnc(NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1[N+](=O)[O-] ZINC000133144373 1416856809 /nfs/dbraw/zinc/85/68/09/1416856809.db2.gz GSIWHONRYDCKTH-HNNXBMFYSA-N 1 0 376.388 3.020 20 5 GGBDRO COC(=O)c1ccc(CNC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000178679454 1429139072 /nfs/dbraw/zinc/13/90/72/1429139072.db2.gz FNKQUOKOANDBIS-GJZGRUSLSA-N 1 0 399.447 3.045 20 5 GGBDRO CCOC(=O)c1ccnc(NCc2cccc(C[NH+]3CCCC3)c2)c1[N+](=O)[O-] ZINC000133334797 1416879776 /nfs/dbraw/zinc/87/97/76/1416879776.db2.gz OGYVFDPVFCRXNJ-UHFFFAOYSA-N 1 0 384.436 3.374 20 5 GGBDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2=O)c1 ZINC000178681368 1429139415 /nfs/dbraw/zinc/13/94/15/1429139415.db2.gz IVXOQCPKQMULIK-AUUYWEPGSA-N 1 0 399.447 3.377 20 5 GGBDRO CCOC(=O)c1ccnc(NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000133406557 1416886691 /nfs/dbraw/zinc/88/66/91/1416886691.db2.gz CPVKIDAISDMZMN-OAHLLOKOSA-N 1 0 376.388 3.020 20 5 GGBDRO CCCC[N@H+](C)CC1CCN(c2nccc(C(=O)OCC)c2[N+](=O)[O-])CC1 ZINC000133406789 1416886814 /nfs/dbraw/zinc/88/68/14/1416886814.db2.gz LYJIISAIYUBDKH-UHFFFAOYSA-N 1 0 378.473 3.115 20 5 GGBDRO COc1cc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)ccc1S(C)(=O)=O ZINC000178685296 1429141150 /nfs/dbraw/zinc/14/11/50/1429141150.db2.gz KXOOCGGAJKDDSR-OLZOCXBDSA-N 1 0 378.450 3.419 20 5 GGBDRO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000133858292 1416979375 /nfs/dbraw/zinc/97/93/75/1416979375.db2.gz ONJNWDZKZRANPP-SFHVURJKSA-N 1 0 377.466 3.086 20 5 GGBDRO CCOC(=O)c1ccnc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000134147699 1417029244 /nfs/dbraw/zinc/02/92/44/1417029244.db2.gz DUVVUMIIHOUNOR-QGZVFWFLSA-N 1 0 398.463 3.143 20 5 GGBDRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000178729810 1429153162 /nfs/dbraw/zinc/15/31/62/1429153162.db2.gz DZGCBXMIQUMLTE-ZDUSSCGKSA-N 1 0 393.465 3.216 20 5 GGBDRO NC(=O)c1ccc(C[N@H+](Cc2ccccc2)CC2(O)CCCC2)c([N+](=O)[O-])c1 ZINC000134340157 1417057498 /nfs/dbraw/zinc/05/74/98/1417057498.db2.gz OQVIKSMQVQOYMA-UHFFFAOYSA-N 1 0 383.448 3.001 20 5 GGBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000134373650 1417062400 /nfs/dbraw/zinc/06/24/00/1417062400.db2.gz DGVNGACQDIKXQY-SJORKVTESA-N 1 0 396.875 3.138 20 5 GGBDRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000134651676 1417106219 /nfs/dbraw/zinc/10/62/19/1417106219.db2.gz HQZVNJPTXPUBPK-CABCVRRESA-N 1 0 379.457 3.351 20 5 GGBDRO O=C(NCCCCC[NH+]1CCCCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000134666993 1417110050 /nfs/dbraw/zinc/11/00/50/1417110050.db2.gz UTSRYIKGRPPBIV-UHFFFAOYSA-N 1 0 385.468 3.167 20 5 GGBDRO CC1CCC([NH+]2CCN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)CC2)CC1 ZINC000134692370 1417112992 /nfs/dbraw/zinc/11/29/92/1417112992.db2.gz WPNLDHINEVSMGA-UHFFFAOYSA-N 1 0 397.479 3.117 20 5 GGBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000134805691 1417129106 /nfs/dbraw/zinc/12/91/06/1417129106.db2.gz LWDJEBIEYYEAAG-UHFFFAOYSA-N 1 0 397.479 3.307 20 5 GGBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(Sc3ccc(Cl)cc3)CC2)c1 ZINC000134859397 1417134991 /nfs/dbraw/zinc/13/49/91/1417134991.db2.gz BFXABBMWCIKOSL-HNNXBMFYSA-N 1 0 396.900 3.062 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)n2)c1 ZINC000134878597 1417138571 /nfs/dbraw/zinc/13/85/71/1417138571.db2.gz QIRHBGCUCKRKCF-CRAIPNDOSA-N 1 0 383.452 3.094 20 5 GGBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000134890010 1417140622 /nfs/dbraw/zinc/14/06/22/1417140622.db2.gz JOSJGTVTQDXKFQ-RZQQEMMASA-N 1 0 386.496 3.179 20 5 GGBDRO CN(C(=O)CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000135108978 1417172940 /nfs/dbraw/zinc/17/29/40/1417172940.db2.gz QBZLHAQCCAHXLM-UHFFFAOYSA-N 1 0 383.448 3.491 20 5 GGBDRO CC(C)OC(=O)c1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000135194248 1417184774 /nfs/dbraw/zinc/18/47/74/1417184774.db2.gz LAAKVPQDPPUTPX-KRWDZBQOSA-N 1 0 384.436 3.241 20 5 GGBDRO C[NH+](C)CCOc1cc(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)ccn1 ZINC000135383090 1417213252 /nfs/dbraw/zinc/21/32/52/1417213252.db2.gz ZPWZDKNUEINJFR-UHFFFAOYSA-N 1 0 382.367 3.144 20 5 GGBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000178777950 1429167505 /nfs/dbraw/zinc/16/75/05/1429167505.db2.gz IMDLZQDYVYFPFG-HNNXBMFYSA-N 1 0 383.452 3.015 20 5 GGBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000135618861 1417247716 /nfs/dbraw/zinc/24/77/16/1417247716.db2.gz ZYZCLJWEFFRLNR-JXMROGBWSA-N 1 0 381.432 3.203 20 5 GGBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000136208231 1417301539 /nfs/dbraw/zinc/30/15/39/1417301539.db2.gz VABQSICUSDRSKX-IRXDYDNUSA-N 1 0 399.495 3.268 20 5 GGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)cs1 ZINC000136495347 1417321175 /nfs/dbraw/zinc/32/11/75/1417321175.db2.gz OGDLODVBXVEWOK-LBPRGKRZSA-N 1 0 390.383 3.496 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000178808256 1429176928 /nfs/dbraw/zinc/17/69/28/1429176928.db2.gz LPTFDKFPBNMLOE-HHHXNRCGSA-N 1 0 389.477 3.101 20 5 GGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000136897877 1417353473 /nfs/dbraw/zinc/35/34/73/1417353473.db2.gz KIPHGEHIQBLARA-FQEVSTJZSA-N 1 0 389.883 3.490 20 5 GGBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000136928133 1417356380 /nfs/dbraw/zinc/35/63/80/1417356380.db2.gz SPNPSHIHQCOJEV-KRWDZBQOSA-N 1 0 388.493 3.335 20 5 GGBDRO O=C(Nc1ccc(F)cc1)C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000137031964 1417363794 /nfs/dbraw/zinc/36/37/94/1417363794.db2.gz ASMNJTIODNIYII-IBGZPJMESA-N 1 0 387.411 3.118 20 5 GGBDRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000137037383 1417363847 /nfs/dbraw/zinc/36/38/47/1417363847.db2.gz ZRLROECXHXXWGX-UHFFFAOYSA-N 1 0 381.860 3.013 20 5 GGBDRO O=C(Nc1ccc(F)cc1)C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000137031911 1417364004 /nfs/dbraw/zinc/36/40/04/1417364004.db2.gz ASMNJTIODNIYII-LJQANCHMSA-N 1 0 387.411 3.118 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000137108564 1417368677 /nfs/dbraw/zinc/36/86/77/1417368677.db2.gz CZIMWGFBPGJCBU-UHFFFAOYSA-N 1 0 395.525 3.326 20 5 GGBDRO COc1cc(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000137458362 1417387319 /nfs/dbraw/zinc/38/73/19/1417387319.db2.gz AKAXIQVAFWKAQI-GDBMZVCRSA-N 1 0 399.447 3.005 20 5 GGBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000138481179 1417419645 /nfs/dbraw/zinc/41/96/45/1417419645.db2.gz MAGGICIMLFLOHE-AWEZNQCLSA-N 1 0 391.855 3.264 20 5 GGBDRO C[C@@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000138978999 1417444334 /nfs/dbraw/zinc/44/43/34/1417444334.db2.gz GISRPNARMIAUKA-MAUKXSAKSA-N 1 0 393.484 3.141 20 5 GGBDRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000140041554 1417485963 /nfs/dbraw/zinc/48/59/63/1417485963.db2.gz RPWUCZZVGLLMJU-CYBMUJFWSA-N 1 0 399.476 3.175 20 5 GGBDRO CNc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1[N+](=O)[O-] ZINC000140218446 1417492444 /nfs/dbraw/zinc/49/24/44/1417492444.db2.gz QQCCSTAUXHPHBO-CQSZACIVSA-N 1 0 388.493 3.340 20 5 GGBDRO CNc1ccc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000140915276 1417520708 /nfs/dbraw/zinc/52/07/08/1417520708.db2.gz NPNWUEGBGHXJGJ-UHFFFAOYSA-N 1 0 382.464 3.279 20 5 GGBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000142078080 1417571564 /nfs/dbraw/zinc/57/15/64/1417571564.db2.gz OCLVGELFPGLMFB-SFHVURJKSA-N 1 0 386.496 3.141 20 5 GGBDRO CC1CCN(c2ccc(C(=O)N3CCC[N@@H+]4CCC[C@@H]4C3)cc2[N+](=O)[O-])CC1 ZINC000142340378 1417584702 /nfs/dbraw/zinc/58/47/02/1417584702.db2.gz LTIHNZMUMMKJTO-GOSISDBHSA-N 1 0 386.496 3.141 20 5 GGBDRO Cc1ccc([C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000143125372 1417614714 /nfs/dbraw/zinc/61/47/14/1417614714.db2.gz OOKMPTSUWZWOEZ-HXUWFJFHSA-N 1 0 383.448 3.235 20 5 GGBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000178864131 1429201986 /nfs/dbraw/zinc/20/19/86/1429201986.db2.gz GTYIQCFHGVPSCZ-OWCLPIDISA-N 1 0 388.512 3.277 20 5 GGBDRO Nc1c(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000145685205 1417696570 /nfs/dbraw/zinc/69/65/70/1417696570.db2.gz FFRFAESRTVDXIZ-UHFFFAOYSA-N 1 0 392.456 3.020 20 5 GGBDRO COc1ccc([C@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000147201609 1417741635 /nfs/dbraw/zinc/74/16/35/1417741635.db2.gz BQPSLVOXOTVMON-FQEVSTJZSA-N 1 0 383.448 3.479 20 5 GGBDRO COc1cc(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000149625970 1417778599 /nfs/dbraw/zinc/77/85/99/1417778599.db2.gz AAUZXHDXDVLHIH-GJZGRUSLSA-N 1 0 393.484 3.100 20 5 GGBDRO COc1cc(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000149626160 1417778630 /nfs/dbraw/zinc/77/86/30/1417778630.db2.gz AAUZXHDXDVLHIH-HUUCEWRRSA-N 1 0 393.484 3.100 20 5 GGBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150739257 1417795751 /nfs/dbraw/zinc/79/57/51/1417795751.db2.gz WCLKAXQYQOLFPE-GDBMZVCRSA-N 1 0 395.887 3.492 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000150756872 1417800491 /nfs/dbraw/zinc/80/04/91/1417800491.db2.gz ZMLOZGJVGPOWBL-UHFFFAOYSA-N 1 0 377.460 3.391 20 5 GGBDRO Cc1c(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000150756716 1417800770 /nfs/dbraw/zinc/80/07/70/1417800770.db2.gz PIDUHMFEOUYUOE-HNNXBMFYSA-N 1 0 390.440 3.210 20 5 GGBDRO COc1cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000150762621 1417802213 /nfs/dbraw/zinc/80/22/13/1417802213.db2.gz ZEBHISPOBYPXPK-ZDUSSCGKSA-N 1 0 385.411 3.123 20 5 GGBDRO CCOC(=O)c1ccnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000150841893 1417818070 /nfs/dbraw/zinc/81/80/70/1417818070.db2.gz DWGCCXPZBXVHQV-UHFFFAOYSA-N 1 0 398.463 3.267 20 5 GGBDRO COc1ccc(C(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000150888940 1417828536 /nfs/dbraw/zinc/82/85/36/1417828536.db2.gz WCJMRGOTPADNLF-HZPDHXFCSA-N 1 0 397.475 3.490 20 5 GGBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000150901863 1417831133 /nfs/dbraw/zinc/83/11/33/1417831133.db2.gz CQUKVGADSZPCBJ-IRXDYDNUSA-N 1 0 381.476 3.410 20 5 GGBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000150951219 1417842744 /nfs/dbraw/zinc/84/27/44/1417842744.db2.gz MAQWKHNGHMGMDV-IRXDYDNUSA-N 1 0 381.476 3.410 20 5 GGBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000150955100 1417843394 /nfs/dbraw/zinc/84/33/94/1417843394.db2.gz UYQPWVHREFJYGP-IAGOWNOFSA-N 1 0 397.475 3.246 20 5 GGBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000150978412 1417848008 /nfs/dbraw/zinc/84/80/08/1417848008.db2.gz IZGKHWLADHHLID-IRXDYDNUSA-N 1 0 397.475 3.246 20 5 GGBDRO COc1ccc(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)cc1[N+](=O)[O-] ZINC000150988059 1417850423 /nfs/dbraw/zinc/85/04/23/1417850423.db2.gz YQDZNCPEUSCCMA-UHFFFAOYSA-N 1 0 382.420 3.372 20 5 GGBDRO COc1ccc([C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000151030119 1417858950 /nfs/dbraw/zinc/85/89/50/1417858950.db2.gz ZGALBYBNOIJKGU-OAQYLSRUSA-N 1 0 397.475 3.489 20 5 GGBDRO Cc1c(C(=O)Nc2cccc(C(=O)OC[C@@H]3CCC[NH2+]3)c2)cccc1[N+](=O)[O-] ZINC000151155252 1417883623 /nfs/dbraw/zinc/88/36/23/1417883623.db2.gz CJEBVVFNDRHREX-INIZCTEOSA-N 1 0 383.404 3.064 20 5 GGBDRO Cc1c(C(=O)Nc2cccc(C(=O)OC[C@H]3CCC[NH2+]3)c2)cccc1[N+](=O)[O-] ZINC000151155312 1417883764 /nfs/dbraw/zinc/88/37/64/1417883764.db2.gz CJEBVVFNDRHREX-MRXNPFEDSA-N 1 0 383.404 3.064 20 5 GGBDRO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000151253536 1417905301 /nfs/dbraw/zinc/90/53/01/1417905301.db2.gz PZJSEXGYFRMKAF-UHFFFAOYSA-N 1 0 388.859 3.345 20 5 GGBDRO COc1cc(OC)cc(Oc2ccc(C[NH2+]CCn3cc([N+](=O)[O-])cn3)cc2)c1 ZINC000151278771 1417912340 /nfs/dbraw/zinc/91/23/40/1417912340.db2.gz WEZYRSHIWZHXKF-UHFFFAOYSA-N 1 0 398.419 3.391 20 5 GGBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)c1 ZINC000151283676 1417914670 /nfs/dbraw/zinc/91/46/70/1417914670.db2.gz UFPWRPNEIRYTTA-UHFFFAOYSA-N 1 0 388.431 3.434 20 5 GGBDRO Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(OCC[NH+](C)C)c1 ZINC000151337961 1417929768 /nfs/dbraw/zinc/92/97/68/1417929768.db2.gz ZTFMKMYPLCAJCR-UHFFFAOYSA-N 1 0 388.380 3.004 20 5 GGBDRO Cn1cc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000151376454 1417941301 /nfs/dbraw/zinc/94/13/01/1417941301.db2.gz BAOSLUSERSXTRC-VQIMIIECSA-N 1 0 388.493 3.140 20 5 GGBDRO CCCN(C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000178929935 1429222872 /nfs/dbraw/zinc/22/28/72/1429222872.db2.gz GWBKZDRQXAKBOD-SOLBZPMBSA-N 1 0 388.512 3.291 20 5 GGBDRO COCc1nc2n(n1)C[C@@H]([NH2+]Cc1ccc(-c3ccc([N+](=O)[O-])cc3)s1)CC2 ZINC000151501815 1418005817 /nfs/dbraw/zinc/00/58/17/1418005817.db2.gz CMTCSILIZJBSBT-AWEZNQCLSA-N 1 0 399.476 3.166 20 5 GGBDRO COCc1nc2n(n1)C[C@H]([NH2+]Cc1ccc(-c3ccc([N+](=O)[O-])cc3)s1)CC2 ZINC000151501745 1418005964 /nfs/dbraw/zinc/00/59/64/1418005964.db2.gz CMTCSILIZJBSBT-CQSZACIVSA-N 1 0 399.476 3.166 20 5 GGBDRO C[NH+]1CCC(Nc2ccccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000151673490 1418057495 /nfs/dbraw/zinc/05/74/95/1418057495.db2.gz AHXGTMVIONDDGV-UHFFFAOYSA-N 1 0 386.427 3.421 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)C1CC1 ZINC000151741498 1418075451 /nfs/dbraw/zinc/07/54/51/1418075451.db2.gz BXSHRHDEMFXKRU-CQSZACIVSA-N 1 0 395.385 3.426 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)C1CC1 ZINC000151741431 1418075846 /nfs/dbraw/zinc/07/58/46/1418075846.db2.gz BXSHRHDEMFXKRU-AWEZNQCLSA-N 1 0 395.385 3.426 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000151790319 1418087140 /nfs/dbraw/zinc/08/71/40/1418087140.db2.gz DXCBTRWPUJMLNE-QAPCUYQASA-N 1 0 387.436 3.413 20 5 GGBDRO CC(C)N(CC[NH+](C)C)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000151954997 1418102998 /nfs/dbraw/zinc/10/29/98/1418102998.db2.gz JFJQRANMIPSBHB-UHFFFAOYSA-N 1 0 376.501 3.243 20 5 GGBDRO CCOc1cc(C[NH2+]C2CC=CC2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000151987918 1418113811 /nfs/dbraw/zinc/11/38/11/1418113811.db2.gz DDIZRGBGBHNGCX-UHFFFAOYSA-N 1 0 386.452 3.386 20 5 GGBDRO COc1ccc([C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000152266269 1418189200 /nfs/dbraw/zinc/18/92/00/1418189200.db2.gz KHQGGHASYIMMHW-HXUWFJFHSA-N 1 0 383.448 3.099 20 5 GGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@]2(O)CCOC2)ccc1Oc1ccccc1Cl ZINC000179020277 1429243691 /nfs/dbraw/zinc/24/36/91/1429243691.db2.gz BUCHSXUSDWCHLM-SFHVURJKSA-N 1 0 378.812 3.282 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000179057119 1429251550 /nfs/dbraw/zinc/25/15/50/1429251550.db2.gz BOSFPRVKWOCYID-KRWDZBQOSA-N 1 0 383.448 3.132 20 5 GGBDRO CC1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)OCCO1 ZINC000179555108 1429428536 /nfs/dbraw/zinc/42/85/36/1429428536.db2.gz SYVLOBAZNBGZCP-UHFFFAOYSA-N 1 0 397.225 3.470 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000179582531 1429452439 /nfs/dbraw/zinc/45/24/39/1429452439.db2.gz RTQSBRSXEKAUTH-LLVKDONJSA-N 1 0 395.362 3.494 20 5 GGBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(OC(F)F)c2)c([N+](=O)[O-])c1 ZINC000179597689 1429462893 /nfs/dbraw/zinc/46/28/93/1429462893.db2.gz AXSNOGOWSVLSFF-LLVKDONJSA-N 1 0 395.362 3.494 20 5 GGBDRO CC(C)([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(Cl)c1 ZINC000179598581 1429463695 /nfs/dbraw/zinc/46/36/95/1429463695.db2.gz HJMHDXDOXGIKJQ-UHFFFAOYSA-N 1 0 391.811 3.440 20 5 GGBDRO C[C@@H](CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000179601094 1429464845 /nfs/dbraw/zinc/46/48/45/1429464845.db2.gz VWWWGJSEBKTGCC-ZDUSSCGKSA-N 1 0 397.522 3.382 20 5 GGBDRO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(OC(F)F)cc1 ZINC000179603066 1429465797 /nfs/dbraw/zinc/46/57/97/1429465797.db2.gz UEJVOQJLCBJALI-LBPRGKRZSA-N 1 0 391.374 3.436 20 5 GGBDRO Cc1c(C[NH2+][C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cccc1[N+](=O)[O-] ZINC000179655605 1429492541 /nfs/dbraw/zinc/49/25/41/1429492541.db2.gz ZSMXFWOFURJEAS-HNNXBMFYSA-N 1 0 383.448 3.411 20 5 GGBDRO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000179665934 1429497688 /nfs/dbraw/zinc/49/76/88/1429497688.db2.gz HSTNTFSUKFBPIG-RDJZCZTQSA-N 1 0 396.875 3.191 20 5 GGBDRO O=C(C[NH2+]C1(c2cccc(Cl)c2)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000179666483 1429497745 /nfs/dbraw/zinc/49/77/45/1429497745.db2.gz WFZPOTNKEGLIMI-UHFFFAOYSA-N 1 0 389.795 3.194 20 5 GGBDRO O=C(CC[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000179726249 1429524207 /nfs/dbraw/zinc/52/42/07/1429524207.db2.gz SGELRSCKAXBIOR-NRFANRHFSA-N 1 0 397.431 3.436 20 5 GGBDRO O=C(C[NH2+][C@H](CCCO)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000179728258 1429525476 /nfs/dbraw/zinc/52/54/76/1429525476.db2.gz FKCWKVLZYLKMIR-MRXNPFEDSA-N 1 0 377.828 3.290 20 5 GGBDRO C[C@@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000179731560 1429527086 /nfs/dbraw/zinc/52/70/86/1429527086.db2.gz QPWUQDRNNUYLBL-ZUOKHONESA-N 1 0 397.431 3.434 20 5 GGBDRO CCc1nc2c(s1)[C@@H]([N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC000152511928 1422126403 /nfs/dbraw/zinc/12/64/03/1422126403.db2.gz LYCHQLJDDNAEKZ-YOEHRIQHSA-N 1 0 391.493 3.363 20 5 GGBDRO CCc1nc2c(s1)[C@H]([N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC000152511841 1422126433 /nfs/dbraw/zinc/12/64/33/1422126433.db2.gz LYCHQLJDDNAEKZ-WMLDXEAASA-N 1 0 391.493 3.363 20 5 GGBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000152623081 1422173053 /nfs/dbraw/zinc/17/30/53/1422173053.db2.gz TVMLHZCFJMPHJM-SFHVURJKSA-N 1 0 392.459 3.399 20 5 GGBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000179754693 1429540486 /nfs/dbraw/zinc/54/04/86/1429540486.db2.gz PVYUALXNKSOABD-INIZCTEOSA-N 1 0 389.477 3.489 20 5 GGBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000152769777 1422242267 /nfs/dbraw/zinc/24/22/67/1422242267.db2.gz GIJFSSGNWWKRJO-UHFFFAOYSA-N 1 0 389.452 3.318 20 5 GGBDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000152816176 1422258923 /nfs/dbraw/zinc/25/89/23/1422258923.db2.gz GPLWGDTUEJDUIF-UHFFFAOYSA-N 1 0 394.475 3.459 20 5 GGBDRO C[C@@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000179760082 1429544727 /nfs/dbraw/zinc/54/47/27/1429544727.db2.gz XUHAFJMSTPVXLL-ZUOKHONESA-N 1 0 397.431 3.434 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000152914721 1422294476 /nfs/dbraw/zinc/29/44/76/1422294476.db2.gz MPWWHYWVDMLBPB-UHFFFAOYSA-N 1 0 391.468 3.357 20 5 GGBDRO COc1ccc(-c2ccc(C[NH2+]CCCO[C@H]3CCOC3)o2)c([N+](=O)[O-])c1 ZINC000152954443 1422306800 /nfs/dbraw/zinc/30/68/00/1422306800.db2.gz VUBTUZVGFLYDME-INIZCTEOSA-N 1 0 376.409 3.149 20 5 GGBDRO O=C(Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])o1 ZINC000152973947 1422312652 /nfs/dbraw/zinc/31/26/52/1422312652.db2.gz BWLYGBKVEQLXDS-HNNXBMFYSA-N 1 0 381.392 3.084 20 5 GGBDRO CC1CCC([N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]2CCCO2)CC1 ZINC000152977197 1422314264 /nfs/dbraw/zinc/31/42/64/1422314264.db2.gz FXZMCBOZCGZJBO-UYJHFMRCSA-N 1 0 375.469 3.253 20 5 GGBDRO O=C(Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000153019163 1422329184 /nfs/dbraw/zinc/32/91/84/1422329184.db2.gz KWMMSOBTVZEEKR-QGZVFWFLSA-N 1 0 391.431 3.491 20 5 GGBDRO C[N@H+](CCCO)C1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000179766438 1429548683 /nfs/dbraw/zinc/54/86/83/1429548683.db2.gz AIEYNMALILNUEP-UHFFFAOYSA-N 1 0 377.488 3.307 20 5 GGBDRO CC[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000153126367 1422365709 /nfs/dbraw/zinc/36/57/09/1422365709.db2.gz CDVHMVLIRNIVLU-GOSISDBHSA-N 1 0 378.450 3.118 20 5 GGBDRO CC[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000153126247 1422366112 /nfs/dbraw/zinc/36/61/12/1422366112.db2.gz CDVHMVLIRNIVLU-SFHVURJKSA-N 1 0 378.450 3.118 20 5 GGBDRO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179772294 1429552632 /nfs/dbraw/zinc/55/26/32/1429552632.db2.gz CZXVEYJZBSAQJI-AWEZNQCLSA-N 1 0 396.447 3.257 20 5 GGBDRO CCCc1[nH]nc(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)c1[N+](=O)[O-] ZINC000153345830 1422482212 /nfs/dbraw/zinc/48/22/12/1422482212.db2.gz VOAGTBBEEPJLJU-UHFFFAOYSA-N 1 0 384.440 3.039 20 5 GGBDRO CN1CCO[C@H]([C@H](NC(=O)c2ccccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000153350444 1422484378 /nfs/dbraw/zinc/48/43/78/1422484378.db2.gz NOAVWBDTKTYEIE-ZWKOTPCHSA-N 1 0 389.839 3.050 20 5 GGBDRO CSc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000153357675 1422490187 /nfs/dbraw/zinc/49/01/87/1422490187.db2.gz KGNKXMGYQWEWSB-GOEBONIOSA-N 1 0 375.494 3.406 20 5 GGBDRO COc1ccc(C[C@H](C)C[N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000153367761 1422498823 /nfs/dbraw/zinc/49/88/23/1422498823.db2.gz QCVZVQJQPJVCSJ-INIZCTEOSA-N 1 0 385.464 3.377 20 5 GGBDRO CC[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCN1CC(F)F ZINC000153516409 1422579810 /nfs/dbraw/zinc/57/98/10/1422579810.db2.gz QVDVHQLEEHQHFI-HNNXBMFYSA-N 1 0 394.422 3.454 20 5 GGBDRO COc1ccc([C@@H](CNc2ncc(Cl)cc2[N+](=O)[O-])[NH+](C)C)cc1OC ZINC000153516801 1422580757 /nfs/dbraw/zinc/58/07/57/1422580757.db2.gz ZKAIGFHQDUPNPX-CQSZACIVSA-N 1 0 380.832 3.375 20 5 GGBDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000153601268 1422641834 /nfs/dbraw/zinc/64/18/34/1422641834.db2.gz YQDDAIJFIQMVTL-OAQYLSRUSA-N 1 0 394.475 3.500 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](CCO)C2CC2)cc1 ZINC000153630654 1422659745 /nfs/dbraw/zinc/65/97/45/1422659745.db2.gz XZQMPGVZGDBPGP-UHFFFAOYSA-N 1 0 378.432 3.404 20 5 GGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000153664428 1422688718 /nfs/dbraw/zinc/68/87/18/1422688718.db2.gz VFBDYMKWPGSBKH-CALCHBBNSA-N 1 0 388.512 3.421 20 5 GGBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](Cc1ccccc1)c1ccccc1F ZINC000179807285 1429581004 /nfs/dbraw/zinc/58/10/04/1429581004.db2.gz FDPWUBZCOLLWPM-HXUWFJFHSA-N 1 0 381.407 3.469 20 5 GGBDRO Cc1cc(NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000153764728 1422744336 /nfs/dbraw/zinc/74/43/36/1422744336.db2.gz LTBVTDHIJAAASH-UHFFFAOYSA-N 1 0 376.457 3.012 20 5 GGBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)Cc1nc2ccccc2o1 ZINC000153771261 1422748471 /nfs/dbraw/zinc/74/84/71/1422748471.db2.gz RZKQTOHJNQUFLQ-UHFFFAOYSA-N 1 0 382.376 3.166 20 5 GGBDRO CCCCCCNC(=O)[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000153829285 1422785148 /nfs/dbraw/zinc/78/51/48/1422785148.db2.gz SQLOYXYPHSIMSC-HKUYNNGSSA-N 1 0 377.485 3.037 20 5 GGBDRO CC[NH+](CC)Cc1cccc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1 ZINC000153833701 1422788115 /nfs/dbraw/zinc/78/81/15/1422788115.db2.gz PCFWJNADMMIDCF-UHFFFAOYSA-N 1 0 391.493 3.421 20 5 GGBDRO CCOc1ccc([C@@H](C)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000153875796 1422803380 /nfs/dbraw/zinc/80/33/80/1422803380.db2.gz HGRURWMDAVWDCQ-CVEARBPZSA-N 1 0 377.485 3.145 20 5 GGBDRO CCOc1ccc([C@H](C)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000153876112 1422803540 /nfs/dbraw/zinc/80/35/40/1422803540.db2.gz HGRURWMDAVWDCQ-JKSUJKDBSA-N 1 0 377.485 3.145 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000153936903 1422813655 /nfs/dbraw/zinc/81/36/55/1422813655.db2.gz BUOOGIIYFPVKOF-DOTOQJQBSA-N 1 0 397.479 3.329 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000153968967 1422818985 /nfs/dbraw/zinc/81/89/85/1422818985.db2.gz KMJBXTGDGLLLGR-UHFFFAOYSA-N 1 0 375.469 3.332 20 5 GGBDRO O=C(CC1([NH+]2CCOCC2)CCCC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000153980274 1422820414 /nfs/dbraw/zinc/82/04/14/1422820414.db2.gz QUVRPZQOJAZUEL-UHFFFAOYSA-N 1 0 387.480 3.121 20 5 GGBDRO CCO[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C12CCC2 ZINC000154033003 1422829140 /nfs/dbraw/zinc/82/91/40/1422829140.db2.gz RWVWJASDTKKHJH-QZTJIDSGSA-N 1 0 391.468 3.212 20 5 GGBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000154062676 1422834022 /nfs/dbraw/zinc/83/40/22/1422834022.db2.gz UCOZIJDFHMEOAO-PKOBYXMFSA-N 1 0 398.507 3.284 20 5 GGBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000154084984 1422837991 /nfs/dbraw/zinc/83/79/91/1422837991.db2.gz JWURMVMERXTYLA-RDTXWAMCSA-N 1 0 375.494 3.162 20 5 GGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000154094650 1422839648 /nfs/dbraw/zinc/83/96/48/1422839648.db2.gz MZOYYRUPSMXERR-FBBABVLZSA-N 1 0 383.492 3.437 20 5 GGBDRO Cc1c([C@H](C)[NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000154094840 1422839828 /nfs/dbraw/zinc/83/98/28/1422839828.db2.gz MZOYYRUPSMXERR-DSKINZAPSA-N 1 0 383.492 3.437 20 5 GGBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000154109480 1422841601 /nfs/dbraw/zinc/84/16/01/1422841601.db2.gz MQMQASGAMWSIKJ-QGZVFWFLSA-N 1 0 382.464 3.279 20 5 GGBDRO Nc1c(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000154162146 1422848933 /nfs/dbraw/zinc/84/89/33/1422848933.db2.gz IZUFNIAJLYYUPZ-UHFFFAOYSA-N 1 0 378.448 3.044 20 5 GGBDRO CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000154206889 1422855282 /nfs/dbraw/zinc/85/52/82/1422855282.db2.gz MPEYGCNSPSCWBO-AWEZNQCLSA-N 1 0 387.436 3.461 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1 ZINC000154217378 1422856867 /nfs/dbraw/zinc/85/68/67/1422856867.db2.gz SPAGXPSBJMQZQL-OKILXGFUSA-N 1 0 385.420 3.218 20 5 GGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000154267920 1422864677 /nfs/dbraw/zinc/86/46/77/1422864677.db2.gz SXGFWSDEVYBWQH-RHSMWYFYSA-N 1 0 375.469 3.435 20 5 GGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+](Cc2ccccc2)C[C@H](O)c2ccco2)c1 ZINC000154429515 1422887730 /nfs/dbraw/zinc/88/77/30/1422887730.db2.gz ZIGLMIYXPXMUIE-UXHICEINSA-N 1 0 382.416 3.457 20 5 GGBDRO O=C(NC[C@@H]1CCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1 ZINC000154482872 1422894967 /nfs/dbraw/zinc/89/49/67/1422894967.db2.gz IHLMQIXLSIQVBF-PMACEKPBSA-N 1 0 398.463 3.304 20 5 GGBDRO CC(C)[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154545298 1422918993 /nfs/dbraw/zinc/91/89/93/1422918993.db2.gz YQFXAQLEKKJPLG-LPHOPBHVSA-N 1 0 381.473 3.157 20 5 GGBDRO COc1cc(C[N@@H+]2CCC[C@@H](CO)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000154618272 1422965245 /nfs/dbraw/zinc/96/52/45/1422965245.db2.gz CBQANILVZWXBEG-GOSISDBHSA-N 1 0 386.448 3.387 20 5 GGBDRO C[NH2+]C[C@@H](C)CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000154641261 1422978580 /nfs/dbraw/zinc/97/85/80/1422978580.db2.gz HGCFEPZICVFQDD-CYBMUJFWSA-N 1 0 390.871 3.446 20 5 GGBDRO COCC[N@H+](C)CCCC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000154855978 1423056552 /nfs/dbraw/zinc/05/65/52/1423056552.db2.gz RYOICADHAZEILX-UHFFFAOYSA-N 1 0 378.473 3.197 20 5 GGBDRO COc1ccc([C@@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)N2CCOCC2)cc1 ZINC000154962489 1423092360 /nfs/dbraw/zinc/09/23/60/1423092360.db2.gz OVMXYZOSSOMRBN-HRAATJIYSA-N 1 0 385.464 3.328 20 5 GGBDRO C[NH+](C)CCOc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000154975446 1423097258 /nfs/dbraw/zinc/09/72/58/1423097258.db2.gz DMGQMLNXYTXMOL-UHFFFAOYSA-N 1 0 377.828 3.119 20 5 GGBDRO O=C(NCCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1cccc(O)c1 ZINC000155031031 1423126529 /nfs/dbraw/zinc/12/65/29/1423126529.db2.gz DGDFKYDFHRJALN-IBGZPJMESA-N 1 0 383.448 3.031 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000155153153 1423199740 /nfs/dbraw/zinc/19/97/40/1423199740.db2.gz JRNBGDQNDXFVCS-SFHVURJKSA-N 1 0 388.512 3.430 20 5 GGBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000155157738 1423201988 /nfs/dbraw/zinc/20/19/88/1423201988.db2.gz IZMMNJQGLSGVMI-GFCCVEGCSA-N 1 0 399.289 3.457 20 5 GGBDRO C[NH+]1CCC(CCNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000155183007 1423219902 /nfs/dbraw/zinc/21/99/02/1423219902.db2.gz ASDQOSVSVNTGBK-UHFFFAOYSA-N 1 0 385.262 3.211 20 5 GGBDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000155209893 1423247214 /nfs/dbraw/zinc/24/72/14/1423247214.db2.gz VLHMQYNILHHQQD-LBPRGKRZSA-N 1 0 385.262 3.305 20 5 GGBDRO COc1ccc([C@@H]2CC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)C2)cc1 ZINC000155339441 1423323831 /nfs/dbraw/zinc/32/38/31/1423323831.db2.gz AEEXMABKEZXMQE-MRXNPFEDSA-N 1 0 399.447 3.430 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1 ZINC000179923835 1429643110 /nfs/dbraw/zinc/64/31/10/1429643110.db2.gz PJRLBMKTSYLZBZ-HNNXBMFYSA-N 1 0 379.363 3.229 20 5 GGBDRO C[NH+](C)CCOc1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000155548361 1423412921 /nfs/dbraw/zinc/41/29/21/1423412921.db2.gz ALPZBNXWVBTUIJ-UHFFFAOYSA-N 1 0 382.420 3.198 20 5 GGBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000155550358 1423414090 /nfs/dbraw/zinc/41/40/90/1423414090.db2.gz JKLRKKZFULSYGD-MRXNPFEDSA-N 1 0 382.464 3.264 20 5 GGBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000155642145 1423464329 /nfs/dbraw/zinc/46/43/29/1423464329.db2.gz GFTSGVAGHFYRGF-IEXSPKMKSA-N 1 0 380.448 3.345 20 5 GGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000155816498 1423546022 /nfs/dbraw/zinc/54/60/22/1423546022.db2.gz ZGSSBALNEFLDHO-INIZCTEOSA-N 1 0 381.436 3.286 20 5 GGBDRO CCC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1CCOC ZINC000155918922 1423594097 /nfs/dbraw/zinc/59/40/97/1423594097.db2.gz VHMDYXCVSPJVBP-AWEZNQCLSA-N 1 0 384.864 3.213 20 5 GGBDRO CCC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1CCOC ZINC000155918801 1423594294 /nfs/dbraw/zinc/59/42/94/1423594294.db2.gz VHMDYXCVSPJVBP-CQSZACIVSA-N 1 0 384.864 3.213 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000155938506 1423602158 /nfs/dbraw/zinc/60/21/58/1423602158.db2.gz DOHDWUAJBWWKBK-HXUWFJFHSA-N 1 0 383.448 3.115 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000156019838 1423636821 /nfs/dbraw/zinc/63/68/21/1423636821.db2.gz KFKYONQXKYPPGU-UHFFFAOYSA-N 1 0 398.463 3.182 20 5 GGBDRO Cc1ccc(N2CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000156035465 1423643859 /nfs/dbraw/zinc/64/38/59/1423643859.db2.gz FULGANIUSHDYDA-UHFFFAOYSA-N 1 0 390.528 3.355 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1cccs1 ZINC000179949660 1429659274 /nfs/dbraw/zinc/65/92/74/1429659274.db2.gz KCBIQHIQYQPJQH-LBPRGKRZSA-N 1 0 385.392 3.290 20 5 GGBDRO CCCN(C(=O)c1c([N+](=O)[O-])c(C)nn1C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000156064005 1423657556 /nfs/dbraw/zinc/65/75/56/1423657556.db2.gz LYLPAEPBAZFQIX-SFHVURJKSA-N 1 0 399.495 3.154 20 5 GGBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000156331601 1423784104 /nfs/dbraw/zinc/78/41/04/1423784104.db2.gz RCDHIPPXWVXUAM-NEPJUHHUSA-N 1 0 388.390 3.001 20 5 GGBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000156533419 1423824157 /nfs/dbraw/zinc/82/41/57/1423824157.db2.gz QUMLRROOHGPDQO-CRAIPNDOSA-N 1 0 382.464 3.406 20 5 GGBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000156533669 1423824231 /nfs/dbraw/zinc/82/42/31/1423824231.db2.gz QUMLRROOHGPDQO-QAPCUYQASA-N 1 0 382.464 3.406 20 5 GGBDRO Nc1c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000156582108 1423832068 /nfs/dbraw/zinc/83/20/68/1423832068.db2.gz MCFQRRYDAMJVRS-MJGOQNOKSA-N 1 0 394.475 3.304 20 5 GGBDRO C[C@@H]([NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000156843878 1423874251 /nfs/dbraw/zinc/87/42/51/1423874251.db2.gz JPWRYKHVRCVPIT-BDJLRTHQSA-N 1 0 378.812 3.404 20 5 GGBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000179996685 1429680858 /nfs/dbraw/zinc/68/08/58/1429680858.db2.gz RCFBQXMDNRTVQP-UHFFFAOYSA-N 1 0 381.354 3.444 20 5 GGBDRO NC(=O)[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000157156563 1423939711 /nfs/dbraw/zinc/93/97/11/1423939711.db2.gz FILAFOVVDSJYCX-ZDUSSCGKSA-N 1 0 375.812 3.348 20 5 GGBDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CCOc3ccc([N+](=O)[O-])cc3)ccc2NC1=O ZINC000180003808 1429685143 /nfs/dbraw/zinc/68/51/43/1429685143.db2.gz JUNYTWZPNTZURL-ACJLOTCBSA-N 1 0 385.420 3.434 20 5 GGBDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000157302668 1423979416 /nfs/dbraw/zinc/97/94/16/1423979416.db2.gz SGYHEICRCFFRAB-UHFFFAOYSA-N 1 0 377.828 3.158 20 5 GGBDRO O=C(CN1CCC[C@@H]([NH+]2CCCC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000157368671 1423995814 /nfs/dbraw/zinc/99/58/14/1423995814.db2.gz WDNWVOMCDFWBSW-CQSZACIVSA-N 1 0 380.876 3.137 20 5 GGBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180015331 1429692971 /nfs/dbraw/zinc/69/29/71/1429692971.db2.gz FJXVPQHCPRDNPI-UHFFFAOYSA-N 1 0 385.420 3.095 20 5 GGBDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)ccc2NC1=O ZINC000180017533 1429694714 /nfs/dbraw/zinc/69/47/14/1429694714.db2.gz FAHHUWCKNIMYBW-UUWFMWQGSA-N 1 0 385.420 3.089 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000157694364 1424065944 /nfs/dbraw/zinc/06/59/44/1424065944.db2.gz MLPCENQACUHHFT-QGZVFWFLSA-N 1 0 389.496 3.477 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000157694511 1424066193 /nfs/dbraw/zinc/06/61/93/1424066193.db2.gz MLPCENQACUHHFT-KRWDZBQOSA-N 1 0 389.496 3.477 20 5 GGBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1SCCOC ZINC000157706352 1424069713 /nfs/dbraw/zinc/06/97/13/1424069713.db2.gz OUOCDLVOBBBSEY-OAHLLOKOSA-N 1 0 395.525 3.328 20 5 GGBDRO CCCc1n[nH]c(C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1[N+](=O)[O-] ZINC000157714166 1424072013 /nfs/dbraw/zinc/07/20/13/1424072013.db2.gz SLRVQXNTOXYRKW-OAHLLOKOSA-N 1 0 391.516 3.387 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N[C@@H]3CCC[C@H]3C[NH3+])cc2[N+](=O)[O-])n1 ZINC000157781026 1424086524 /nfs/dbraw/zinc/08/65/24/1424086524.db2.gz AYMLAFSQPJZQFQ-QWHCGFSZSA-N 1 0 392.506 3.368 20 5 GGBDRO COc1cccc([C@@H](O)C[N@H+](CCn2ccc([N+](=O)[O-])n2)Cc2ccccc2)c1 ZINC000157781848 1424087498 /nfs/dbraw/zinc/08/74/98/1424087498.db2.gz SCGJQMORUMWASH-FQEVSTJZSA-N 1 0 396.447 3.036 20 5 GGBDRO CSc1ccc(C(=O)c2ccccc2C(=O)N2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000157823674 1424096214 /nfs/dbraw/zinc/09/62/14/1424096214.db2.gz KMGSNCBUQKWNJY-CQSZACIVSA-N 1 0 399.472 3.111 20 5 GGBDRO CC[C@H]1Oc2cc([C@H](C)[NH2+]CCOc3ccccc3[N+](=O)[O-])ccc2NC1=O ZINC000180023801 1429699857 /nfs/dbraw/zinc/69/98/57/1429699857.db2.gz OPURRMQIFNKYAW-SUMWQHHRSA-N 1 0 385.420 3.434 20 5 GGBDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]CCOc3ccccc3[N+](=O)[O-])ccc2NC1=O ZINC000180023819 1429700126 /nfs/dbraw/zinc/70/01/26/1429700126.db2.gz OPURRMQIFNKYAW-GUYCJALGSA-N 1 0 385.420 3.434 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000158058237 1424152251 /nfs/dbraw/zinc/15/22/51/1424152251.db2.gz KLSGIVGEQGPRIO-FZKQIMNGSA-N 1 0 385.420 3.253 20 5 GGBDRO Cc1nn(CCC(=O)Nc2cccc3c2C[N@H+](CC(C)C)C3)c(C)c1[N+](=O)[O-] ZINC000158386007 1424242183 /nfs/dbraw/zinc/24/21/83/1424242183.db2.gz REWCEOSTJCTDCF-UHFFFAOYSA-N 1 0 385.468 3.409 20 5 GGBDRO COc1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000158508195 1424275439 /nfs/dbraw/zinc/27/54/39/1424275439.db2.gz BZHCNLFGVAOBSA-OCCSQVGLSA-N 1 0 385.411 3.121 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000158939656 1424377035 /nfs/dbraw/zinc/37/70/35/1424377035.db2.gz WDYWKFKHMBIWMJ-UHFFFAOYSA-N 1 0 395.525 3.180 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000158951582 1424380275 /nfs/dbraw/zinc/38/02/75/1424380275.db2.gz LMFRGLNQCKAFQL-UHFFFAOYSA-N 1 0 395.525 3.180 20 5 GGBDRO COc1ccccc1[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1)[NH+]1CCCC1 ZINC000159086767 1424413797 /nfs/dbraw/zinc/41/37/97/1424413797.db2.gz SXKNSUNVNYQMSR-SFHVURJKSA-N 1 0 399.447 3.179 20 5 GGBDRO CCN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159556065 1424512719 /nfs/dbraw/zinc/51/27/19/1424512719.db2.gz BEDJGLQQNFPDTI-NRFANRHFSA-N 1 0 396.491 3.443 20 5 GGBDRO CN(c1ccccc1)c1ccc(C[NH+]2CCC(CC(N)=O)CC2)cc1[N+](=O)[O-] ZINC000159718102 1424526803 /nfs/dbraw/zinc/52/68/03/1424526803.db2.gz VERDCGCTGXVQCE-UHFFFAOYSA-N 1 0 382.464 3.450 20 5 GGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000159759427 1424532184 /nfs/dbraw/zinc/53/21/84/1424532184.db2.gz IIKVHLITHKMQOS-UHFFFAOYSA-N 1 0 381.354 3.440 20 5 GGBDRO CCN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159778498 1424533136 /nfs/dbraw/zinc/53/31/36/1424533136.db2.gz CLZGZMPHUXIYAO-FQEVSTJZSA-N 1 0 382.464 3.401 20 5 GGBDRO CC[N@H+](C[C@H](O)c1ccc(C)cc1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000159931648 1424553298 /nfs/dbraw/zinc/55/32/98/1424553298.db2.gz STILKUFTWCYCDI-UXHICEINSA-N 1 0 383.448 3.064 20 5 GGBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000160080502 1424571841 /nfs/dbraw/zinc/57/18/41/1424571841.db2.gz OVPPJGYXGZWDEV-GFCCVEGCSA-N 1 0 392.378 3.092 20 5 GGBDRO C[C@H](NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000160087720 1424573026 /nfs/dbraw/zinc/57/30/26/1424573026.db2.gz NZESIILOVDEASN-INIZCTEOSA-N 1 0 397.475 3.290 20 5 GGBDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@@H](C)O1 ZINC000160486012 1424607574 /nfs/dbraw/zinc/60/75/74/1424607574.db2.gz NXHUUNSONJRQEG-NFAWXSAZSA-N 1 0 385.411 3.274 20 5 GGBDRO COc1cc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000160532561 1424611448 /nfs/dbraw/zinc/61/14/48/1424611448.db2.gz WXZJIBLEDHEAMP-ACJLOTCBSA-N 1 0 386.395 3.332 20 5 GGBDRO CN1CC[NH+](CC2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)CC1 ZINC000160835795 1424638117 /nfs/dbraw/zinc/63/81/17/1424638117.db2.gz HWHYCGMELRRMTF-UHFFFAOYSA-N 1 0 386.418 3.077 20 5 GGBDRO Cc1ccc([C@@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)o1 ZINC000160886082 1424641403 /nfs/dbraw/zinc/64/14/03/1424641403.db2.gz GGRNMDJVSNEMLU-GOSISDBHSA-N 1 0 386.452 3.175 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000160906831 1424643313 /nfs/dbraw/zinc/64/33/13/1424643313.db2.gz CCRXJGBXOMNHRK-UHFFFAOYSA-N 1 0 395.525 3.328 20 5 GGBDRO [NH3+][C@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1cccc(Cl)c1 ZINC000160921804 1424644902 /nfs/dbraw/zinc/64/49/02/1424644902.db2.gz HYURPRZYULCMCK-SFHVURJKSA-N 1 0 389.839 3.318 20 5 GGBDRO Cc1ccc(S(=O)(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000160962981 1424647805 /nfs/dbraw/zinc/64/78/05/1424647805.db2.gz GWKAHKNINQEWEC-UHFFFAOYSA-N 1 0 395.525 3.225 20 5 GGBDRO CCN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000161012056 1424652000 /nfs/dbraw/zinc/65/20/00/1424652000.db2.gz QBKAWVRLZNBKDZ-NRFANRHFSA-N 1 0 396.491 3.443 20 5 GGBDRO Cn1c(Sc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nnc1C1CC[NH2+]CC1 ZINC000161083987 1424656825 /nfs/dbraw/zinc/65/68/25/1424656825.db2.gz QTTUNNFGCUAZQI-UHFFFAOYSA-N 1 0 387.387 3.360 20 5 GGBDRO Cn1c(Sc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000161084125 1424656948 /nfs/dbraw/zinc/65/69/48/1424656948.db2.gz YUKFOGCIFWKXMA-SECBINFHSA-N 1 0 387.387 3.360 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCCCCC1 ZINC000161088143 1424658204 /nfs/dbraw/zinc/65/82/04/1424658204.db2.gz XVAPNNDNCMAQOG-UHFFFAOYSA-N 1 0 395.525 3.329 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161326693 1424678667 /nfs/dbraw/zinc/67/86/67/1424678667.db2.gz BOYJEVKEEHMRFP-KBPBESRZSA-N 1 0 385.420 3.395 20 5 GGBDRO CC1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000161353417 1424681081 /nfs/dbraw/zinc/68/10/81/1424681081.db2.gz SLXAMBFSGUVMCR-UHFFFAOYSA-N 1 0 396.491 3.425 20 5 GGBDRO CC[C@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1)c1cccc([N+](=O)[O-])c1 ZINC000161468350 1424693139 /nfs/dbraw/zinc/69/31/39/1424693139.db2.gz HBZUKUSUEIVZOF-ACJLOTCBSA-N 1 0 377.466 3.305 20 5 GGBDRO CC[C@@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1)c1cccc([N+](=O)[O-])c1 ZINC000161468476 1424693749 /nfs/dbraw/zinc/69/37/49/1424693749.db2.gz HBZUKUSUEIVZOF-FZKQIMNGSA-N 1 0 377.466 3.305 20 5 GGBDRO CCOC(=O)CC[C@H]1CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000161866498 1424782655 /nfs/dbraw/zinc/78/26/55/1424782655.db2.gz BPMFYSPFLBPAIJ-MRXNPFEDSA-N 1 0 391.468 3.287 20 5 GGBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000161882081 1424786625 /nfs/dbraw/zinc/78/66/25/1424786625.db2.gz VWEFQFWRMRFMJM-CQSZACIVSA-N 1 0 388.493 3.426 20 5 GGBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000180137131 1429753580 /nfs/dbraw/zinc/75/35/80/1429753580.db2.gz NFJXUTNXTCKWDJ-ZFWWWQNUSA-N 1 0 388.411 3.373 20 5 GGBDRO CC(C)[C@H](CCO)[NH2+][C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000161919385 1424796410 /nfs/dbraw/zinc/79/64/10/1424796410.db2.gz SYXZNTORDSMJIO-WFASDCNBSA-N 1 0 392.481 3.042 20 5 GGBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000162107111 1424816852 /nfs/dbraw/zinc/81/68/52/1424816852.db2.gz NBIPGPGXJUWFRB-KRWDZBQOSA-N 1 0 376.501 3.277 20 5 GGBDRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000162149641 1424820348 /nfs/dbraw/zinc/82/03/48/1424820348.db2.gz NWSDMHDFQNDMJH-AWEZNQCLSA-N 1 0 388.424 3.200 20 5 GGBDRO C[NH+](C)CCCC1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000162713798 1424884155 /nfs/dbraw/zinc/88/41/55/1424884155.db2.gz CYNIAXRGWYHEDN-UHFFFAOYSA-N 1 0 388.512 3.389 20 5 GGBDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000163163418 1424951301 /nfs/dbraw/zinc/95/13/01/1424951301.db2.gz UFBPBLVYYTZKMX-OAHLLOKOSA-N 1 0 391.493 3.476 20 5 GGBDRO Cc1c(CC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)cccc1[N+](=O)[O-] ZINC000163550712 1425016120 /nfs/dbraw/zinc/01/61/20/1425016120.db2.gz SAFIFLQPSIZHPH-UHFFFAOYSA-N 1 0 391.418 3.314 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)cc1OC ZINC000163650049 1425029334 /nfs/dbraw/zinc/02/93/34/1425029334.db2.gz QBPOLPLXTANXNM-OAHLLOKOSA-N 1 0 393.484 3.100 20 5 GGBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000164090737 1425075717 /nfs/dbraw/zinc/07/57/17/1425075717.db2.gz KLLRJNSRSFJSTA-APWZRJJASA-N 1 0 386.496 3.141 20 5 GGBDRO Cc1ccc([C@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)N2CCOCC2)o1 ZINC000164606316 1425128619 /nfs/dbraw/zinc/12/86/19/1425128619.db2.gz BXLNNHNYTPMFHF-FPOVZHCZSA-N 1 0 399.491 3.480 20 5 GGBDRO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000165248374 1425172653 /nfs/dbraw/zinc/17/26/53/1425172653.db2.gz SCHDFAFCXYBWTN-SUMWQHHRSA-N 1 0 375.425 3.445 20 5 GGBDRO CC1CC[NH+](C[C@@H]2CCCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)C2)CC1 ZINC000170640101 1425271429 /nfs/dbraw/zinc/27/14/29/1425271429.db2.gz MFQHQFVPNJBBEA-INIZCTEOSA-N 1 0 386.496 3.428 20 5 GGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000170912979 1425388595 /nfs/dbraw/zinc/38/85/95/1425388595.db2.gz XXHWIECOZVBMRI-INIZCTEOSA-N 1 0 375.469 3.120 20 5 GGBDRO O=C(CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NCc1cccnc1 ZINC000171051699 1425455909 /nfs/dbraw/zinc/45/59/09/1425455909.db2.gz KQMGRIJTTDKRHB-UHFFFAOYSA-N 1 0 380.404 3.046 20 5 GGBDRO O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H]3CC[N@H+](CCc4ccccc4)C3)cc2N1 ZINC000171367686 1425643155 /nfs/dbraw/zinc/64/31/55/1425643155.db2.gz CWTYDROPWKSPRI-KRWDZBQOSA-N 1 0 394.475 3.456 20 5 GGBDRO CC[NH+]1CCC(n2nccc2NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000171636765 1425767907 /nfs/dbraw/zinc/76/79/07/1425767907.db2.gz ZLOHVPVUKTUCAA-UHFFFAOYSA-N 1 0 389.481 3.422 20 5 GGBDRO CCc1n[nH]c(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)c1[N+](=O)[O-] ZINC000171807144 1425825434 /nfs/dbraw/zinc/82/54/34/1425825434.db2.gz MMMIFDXRLAZYLY-UHFFFAOYSA-N 1 0 385.468 3.042 20 5 GGBDRO CCc1n[nH]c(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)c1[N+](=O)[O-] ZINC000171827203 1425830320 /nfs/dbraw/zinc/83/03/20/1425830320.db2.gz CQIKJZYHOCGLIZ-CQSZACIVSA-N 1 0 385.468 3.274 20 5 GGBDRO CCc1n[nH]c(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000171857120 1425836210 /nfs/dbraw/zinc/83/62/10/1425836210.db2.gz RSRXVAOVCCPEHV-UHFFFAOYSA-N 1 0 385.468 3.186 20 5 GGBDRO CN(C)CC[NH+]1CCC(CNC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000172026309 1425877295 /nfs/dbraw/zinc/87/72/95/1425877295.db2.gz NPHLMVDTPBKXTJ-UHFFFAOYSA-N 1 0 390.531 3.391 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000172029626 1425878106 /nfs/dbraw/zinc/87/81/06/1425878106.db2.gz VGPMNJSNGKEVDH-HZPDHXFCSA-N 1 0 397.479 3.187 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000172029631 1425878188 /nfs/dbraw/zinc/87/81/88/1425878188.db2.gz VGPMNJSNGKEVDH-HOTGVXAUSA-N 1 0 397.479 3.187 20 5 GGBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000172237866 1425960520 /nfs/dbraw/zinc/96/05/20/1425960520.db2.gz GEKLVTZYRVVSSB-HOTGVXAUSA-N 1 0 380.920 3.239 20 5 GGBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC1CC[NH+](CC2CC2)CC1 ZINC000172277925 1425977838 /nfs/dbraw/zinc/97/78/38/1425977838.db2.gz WGKKSHFKONOTCY-UHFFFAOYSA-N 1 0 381.860 3.008 20 5 GGBDRO CCOC(=O)c1ccnc(NC2CC[NH+](CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000172364656 1426015412 /nfs/dbraw/zinc/01/54/12/1426015412.db2.gz ANQKEYLKNDJTSX-UHFFFAOYSA-N 1 0 398.463 3.286 20 5 GGBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172423836 1426037511 /nfs/dbraw/zinc/03/75/11/1426037511.db2.gz ZCFSIHLPQJTFBS-UHFFFAOYSA-N 1 0 386.496 3.286 20 5 GGBDRO Cn1cc(C[NH2+]C[C@@H](CCO)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000172685122 1426142187 /nfs/dbraw/zinc/14/21/87/1426142187.db2.gz URWJCACUIFNAKW-GOSISDBHSA-N 1 0 380.448 3.251 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000172694381 1426147452 /nfs/dbraw/zinc/14/74/52/1426147452.db2.gz LQPUPKNJHDPYKP-QGZVFWFLSA-N 1 0 382.464 3.401 20 5 GGBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000172706060 1426152053 /nfs/dbraw/zinc/15/20/53/1426152053.db2.gz OYNHWFFRTOKXAO-CVEARBPZSA-N 1 0 377.510 3.410 20 5 GGBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000172706211 1426152124 /nfs/dbraw/zinc/15/21/24/1426152124.db2.gz BZFFVODNFYGZDB-KRWDZBQOSA-N 1 0 386.496 3.143 20 5 GGBDRO CC[NH+](CC)[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000172710499 1426154140 /nfs/dbraw/zinc/15/41/40/1426154140.db2.gz SCCYEZICOSPYEM-FQEVSTJZSA-N 1 0 385.464 3.345 20 5 GGBDRO CCOC(=O)c1ccnc(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000172809532 1426199188 /nfs/dbraw/zinc/19/91/88/1426199188.db2.gz AZKYXYWQRHQSBA-KRWDZBQOSA-N 1 0 398.463 3.125 20 5 GGBDRO CCOC(=O)c1ccnc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000172813679 1426201595 /nfs/dbraw/zinc/20/15/95/1426201595.db2.gz LKLIZBMAICICFB-INIZCTEOSA-N 1 0 398.463 3.267 20 5 GGBDRO O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000172883622 1426237483 /nfs/dbraw/zinc/23/74/83/1426237483.db2.gz XCJKHRXQKHGTRU-UHFFFAOYSA-N 1 0 394.475 3.308 20 5 GGBDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173028775 1426315569 /nfs/dbraw/zinc/31/55/69/1426315569.db2.gz NZOYJAXXKBITCW-UHFFFAOYSA-N 1 0 377.391 3.006 20 5 GGBDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1O2 ZINC000173082045 1426334934 /nfs/dbraw/zinc/33/49/34/1426334934.db2.gz HKRYWDOCOXRBCV-IBGZPJMESA-N 1 0 395.459 3.242 20 5 GGBDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1O2 ZINC000173082085 1426335091 /nfs/dbraw/zinc/33/50/91/1426335091.db2.gz HKRYWDOCOXRBCV-LJQANCHMSA-N 1 0 395.459 3.242 20 5 GGBDRO COc1ccc([C@H](CNc2nc3sccn3c2[N+](=O)[O-])[NH+](C)C)cc1OC ZINC000173085357 1426336007 /nfs/dbraw/zinc/33/60/07/1426336007.db2.gz BXCARKQEORUTTN-LBPRGKRZSA-N 1 0 391.453 3.036 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000173136854 1426359118 /nfs/dbraw/zinc/35/91/18/1426359118.db2.gz KEDVNROGPOVMLJ-UHFFFAOYSA-N 1 0 396.491 3.235 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(-n2cccn2)c1 ZINC000173202834 1426390911 /nfs/dbraw/zinc/39/09/11/1426390911.db2.gz SVEGUQSIKGJAMX-CABCVRRESA-N 1 0 379.420 3.458 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1SC ZINC000173276162 1426453269 /nfs/dbraw/zinc/45/32/69/1426453269.db2.gz PCYINLLMJSCDBV-CQSZACIVSA-N 1 0 393.509 3.320 20 5 GGBDRO C[C@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000173332983 1426514364 /nfs/dbraw/zinc/51/43/64/1426514364.db2.gz ZVMDZTYZDMRXES-KBPBESRZSA-N 1 0 377.466 3.257 20 5 GGBDRO CCc1ccc(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)cc1[N+](=O)[O-] ZINC000173342589 1426522284 /nfs/dbraw/zinc/52/22/84/1426522284.db2.gz VZSHCLACEPGPKX-UHFFFAOYSA-N 1 0 382.464 3.157 20 5 GGBDRO COc1ccccc1CC(=O)N1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173367304 1426541108 /nfs/dbraw/zinc/54/11/08/1426541108.db2.gz NLODFQOYRSZAET-MRXNPFEDSA-N 1 0 397.475 3.488 20 5 GGBDRO C[C@H]([NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173429554 1426611326 /nfs/dbraw/zinc/61/13/26/1426611326.db2.gz CKSXEXAUMUKOCT-SFHVURJKSA-N 1 0 396.491 3.374 20 5 GGBDRO O=C1CCCCN1CC1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173444456 1426624547 /nfs/dbraw/zinc/62/45/47/1426624547.db2.gz OYWFTAAOSAKTJQ-UHFFFAOYSA-N 1 0 375.469 3.088 20 5 GGBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000173510296 1426680246 /nfs/dbraw/zinc/68/02/46/1426680246.db2.gz ZQBDJODIJZNYED-KRWDZBQOSA-N 1 0 396.491 3.373 20 5 GGBDRO COc1cc(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000173514955 1426685086 /nfs/dbraw/zinc/68/50/86/1426685086.db2.gz LQTPSEGNEDALRB-MRXNPFEDSA-N 1 0 383.448 3.340 20 5 GGBDRO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000173520708 1426693315 /nfs/dbraw/zinc/69/33/15/1426693315.db2.gz TZFMKNUOAASGHM-HNNXBMFYSA-N 1 0 398.419 3.240 20 5 GGBDRO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000173520194 1426693565 /nfs/dbraw/zinc/69/35/65/1426693565.db2.gz PUEKQAXTRVONNE-QGZVFWFLSA-N 1 0 396.491 3.397 20 5 GGBDRO C[C@@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000173528886 1426703420 /nfs/dbraw/zinc/70/34/20/1426703420.db2.gz WDQSRVLIBGLQGX-QGZVFWFLSA-N 1 0 383.448 3.097 20 5 GGBDRO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000173584274 1426748447 /nfs/dbraw/zinc/74/84/47/1426748447.db2.gz VIJGAICWTCSZFW-LRDDRELGSA-N 1 0 386.374 3.254 20 5 GGBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173637643 1426805490 /nfs/dbraw/zinc/80/54/90/1426805490.db2.gz HCCKQTRPLFCOLP-KBPBESRZSA-N 1 0 382.892 3.381 20 5 GGBDRO O=C(CC[N@@H+]1CC[C@@H](COCc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000173651092 1426810444 /nfs/dbraw/zinc/81/04/44/1426810444.db2.gz SAOGXEUIMAHANP-GOSISDBHSA-N 1 0 383.448 3.462 20 5 GGBDRO CN(C(=O)C[N@@H+]1CC[C@H](COCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000173652259 1426810827 /nfs/dbraw/zinc/81/08/27/1426810827.db2.gz ITLDFYYSKOROAF-SFHVURJKSA-N 1 0 383.448 3.096 20 5 GGBDRO COc1cc(C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000173704366 1426826648 /nfs/dbraw/zinc/82/66/48/1426826648.db2.gz IOLSTFHWCQGNAC-SFHVURJKSA-N 1 0 383.448 3.340 20 5 GGBDRO CN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000173705778 1426827122 /nfs/dbraw/zinc/82/71/22/1426827122.db2.gz YTTCYSAQMJHUDL-QGZVFWFLSA-N 1 0 393.447 3.208 20 5 GGBDRO C[C@@H]([NH2+]C1(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CCOCC1)c1ccccc1 ZINC000173745912 1426837975 /nfs/dbraw/zinc/83/79/75/1426837975.db2.gz WLHXKFHWCKZIGP-QGZVFWFLSA-N 1 0 397.475 3.154 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(C(F)(F)F)CC1 ZINC000173770588 1426845698 /nfs/dbraw/zinc/84/56/98/1426845698.db2.gz FFHULRXNEDLWHS-UHFFFAOYSA-N 1 0 375.347 3.206 20 5 GGBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173858663 1426873338 /nfs/dbraw/zinc/87/33/38/1426873338.db2.gz PKHQFQIECKBLRP-INIZCTEOSA-N 1 0 390.484 3.022 20 5 GGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173963310 1426912879 /nfs/dbraw/zinc/91/28/79/1426912879.db2.gz QMYDGQVSGMYSDW-UHFFFAOYSA-N 1 0 391.512 3.459 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000174051488 1426972988 /nfs/dbraw/zinc/97/29/88/1426972988.db2.gz RNUUCLWTFOPKHQ-QGZVFWFLSA-N 1 0 383.448 3.340 20 5 GGBDRO C[C@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174245050 1427066966 /nfs/dbraw/zinc/06/69/66/1427066966.db2.gz MEEUTNIHIGODPJ-QGZVFWFLSA-N 1 0 397.475 3.485 20 5 GGBDRO C[C@@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174245037 1427067109 /nfs/dbraw/zinc/06/71/09/1427067109.db2.gz MEEUTNIHIGODPJ-KRWDZBQOSA-N 1 0 397.475 3.485 20 5 GGBDRO O=C(CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N1CCc2ccccc21 ZINC000174247874 1427068825 /nfs/dbraw/zinc/06/88/25/1427068825.db2.gz FQWIQMJEIPMWME-UHFFFAOYSA-N 1 0 395.459 3.417 20 5 GGBDRO CN(C)C(=O)c1cccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000174248338 1427069185 /nfs/dbraw/zinc/06/91/85/1427069185.db2.gz RFPJDINTODWTAQ-UHFFFAOYSA-N 1 0 383.448 3.340 20 5 GGBDRO CC(C)N(C(=O)[C@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C(C)C ZINC000174249311 1427069700 /nfs/dbraw/zinc/06/97/00/1427069700.db2.gz IOLQMYQQAIBMQQ-INIZCTEOSA-N 1 0 377.485 3.472 20 5 GGBDRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000174365996 1427122759 /nfs/dbraw/zinc/12/27/59/1427122759.db2.gz PJGOBNSODNMZJH-GJZGRUSLSA-N 1 0 379.420 3.458 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(-n2cccn2)cc1 ZINC000174367951 1427123175 /nfs/dbraw/zinc/12/31/75/1427123175.db2.gz OFGAPYJMMSGOOB-CABCVRRESA-N 1 0 379.420 3.458 20 5 GGBDRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000174367972 1427123520 /nfs/dbraw/zinc/12/35/20/1427123520.db2.gz OFGAPYJMMSGOOB-HUUCEWRRSA-N 1 0 379.420 3.458 20 5 GGBDRO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(-n2cccn2)cc1 ZINC000174369058 1427123997 /nfs/dbraw/zinc/12/39/97/1427123997.db2.gz IJQPYSCEPVOBOQ-YWZLYKJASA-N 1 0 391.431 3.237 20 5 GGBDRO COc1cc(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)ccc1[N+](=O)[O-] ZINC000174369196 1427124259 /nfs/dbraw/zinc/12/42/59/1427124259.db2.gz TXQBFVUZNIZLHP-UHFFFAOYSA-N 1 0 382.420 3.372 20 5 GGBDRO COc1cc(C[NH2+]C[C@H]2CCC[C@@H](O)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000174428286 1427152158 /nfs/dbraw/zinc/15/21/58/1427152158.db2.gz APCFCSLJNVUARJ-WCQYABFASA-N 1 0 392.374 3.185 20 5 GGBDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@H](O)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000174428248 1427152297 /nfs/dbraw/zinc/15/22/97/1427152297.db2.gz APCFCSLJNVUARJ-YPMHNXCESA-N 1 0 392.374 3.185 20 5 GGBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1 ZINC000174484226 1427177185 /nfs/dbraw/zinc/17/71/85/1427177185.db2.gz ZWFODOJVJYCAQN-QGZVFWFLSA-N 1 0 388.512 3.245 20 5 GGBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)C1 ZINC000174507438 1427191252 /nfs/dbraw/zinc/19/12/52/1427191252.db2.gz VEMYUMCGKABYTK-QGZVFWFLSA-N 1 0 388.512 3.245 20 5 GGBDRO O=C1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCN1c1ccc(OC(F)F)cc1 ZINC000174569007 1427229260 /nfs/dbraw/zinc/22/92/60/1427229260.db2.gz LNCFOBSRSJDLPO-QGZVFWFLSA-N 1 0 391.374 3.481 20 5 GGBDRO NC(=O)COc1cccc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 ZINC000174604418 1427255628 /nfs/dbraw/zinc/25/56/28/1427255628.db2.gz WYGWRMYCOTXTBA-UHFFFAOYSA-N 1 0 397.456 3.477 20 5 GGBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCN(CCc2ccccn2)CC1 ZINC000174655137 1427291382 /nfs/dbraw/zinc/29/13/82/1427291382.db2.gz ZHFQQFNHDZXHTA-UHFFFAOYSA-N 1 0 384.480 3.008 20 5 GGBDRO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCCN(c2ccccc2)C1 ZINC000174677886 1427304298 /nfs/dbraw/zinc/30/42/98/1427304298.db2.gz MOOZAZRIQVOVGM-FQEVSTJZSA-N 1 0 394.475 3.085 20 5 GGBDRO COc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCCN(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000174678362 1427305010 /nfs/dbraw/zinc/30/50/10/1427305010.db2.gz ASRINHDMXMMFDS-QGZVFWFLSA-N 1 0 398.463 3.143 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000174680465 1427306107 /nfs/dbraw/zinc/30/61/07/1427306107.db2.gz OLYWRMIKVFWIQS-IBGZPJMESA-N 1 0 382.464 3.443 20 5 GGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H](O)COc3ccccc3F)CC2)cc1 ZINC000174802918 1427377664 /nfs/dbraw/zinc/37/76/64/1427377664.db2.gz GAIARSCVKSNZDQ-MRXNPFEDSA-N 1 0 390.411 3.017 20 5 GGBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000174837895 1427397448 /nfs/dbraw/zinc/39/74/48/1427397448.db2.gz ANVMMXFZMLKYDN-IYBDPMFKSA-N 1 0 380.920 3.239 20 5 GGBDRO O=C(C[N@@H+](CCCO)[C@H]1CCCc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000174908430 1427440042 /nfs/dbraw/zinc/44/00/42/1427440042.db2.gz OVIZVWYMTVURGJ-IBGZPJMESA-N 1 0 383.448 3.295 20 5 GGBDRO CCC[N@H+](C)C[C@H]1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000174951018 1427462294 /nfs/dbraw/zinc/46/22/94/1427462294.db2.gz PIBNVYZEWNXBHN-UONOGXRCSA-N 1 0 382.892 3.239 20 5 GGBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000174959669 1427467591 /nfs/dbraw/zinc/46/75/91/1427467591.db2.gz BGQREEYJVIMHNZ-MRXNPFEDSA-N 1 0 393.447 3.065 20 5 GGBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000175022468 1427504067 /nfs/dbraw/zinc/50/40/67/1427504067.db2.gz UQGCDQCMDNJOMN-UHFFFAOYSA-N 1 0 393.447 3.208 20 5 GGBDRO C[N@@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C2(CCCCC2)C1 ZINC000175062685 1427525753 /nfs/dbraw/zinc/52/57/53/1427525753.db2.gz YFSLNFZWKFACGP-UHFFFAOYSA-N 1 0 380.876 3.137 20 5 GGBDRO CC(C)CC[NH+]1CCC(CNC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000175171232 1427580698 /nfs/dbraw/zinc/58/06/98/1427580698.db2.gz MQRPAQWZUSJHEJ-UHFFFAOYSA-N 1 0 377.485 3.238 20 5 GGBDRO COc1cc(C(=O)NCC2CC[NH+](CCC(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000175171351 1427580784 /nfs/dbraw/zinc/58/07/84/1427580784.db2.gz AGSCDAWFPKBIKR-UHFFFAOYSA-N 1 0 393.484 3.100 20 5 GGBDRO COC(=O)c1cc(NC(=O)c2oc3ccccc3c2C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000175216546 1427607878 /nfs/dbraw/zinc/60/78/78/1427607878.db2.gz NYZIFAWBPCIMQK-UHFFFAOYSA-N 1 0 397.387 3.442 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000175250643 1427625583 /nfs/dbraw/zinc/62/55/83/1427625583.db2.gz UMOFNBROQRIBAU-HNNXBMFYSA-N 1 0 381.436 3.416 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000175250670 1427625783 /nfs/dbraw/zinc/62/57/83/1427625783.db2.gz UMOFNBROQRIBAU-OAHLLOKOSA-N 1 0 381.436 3.416 20 5 GGBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000175262979 1427633036 /nfs/dbraw/zinc/63/30/36/1427633036.db2.gz UQPNUKGLCDRPOE-LJQANCHMSA-N 1 0 382.464 3.258 20 5 GGBDRO C[C@@H]1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000175267814 1427635711 /nfs/dbraw/zinc/63/57/11/1427635711.db2.gz FSVZMPKPEUZZAQ-QGZVFWFLSA-N 1 0 382.464 3.401 20 5 GGBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000175273150 1427640155 /nfs/dbraw/zinc/64/01/55/1427640155.db2.gz VJXWYGCCCGTCFE-LJQANCHMSA-N 1 0 396.491 3.377 20 5 GGBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000175280131 1427643894 /nfs/dbraw/zinc/64/38/94/1427643894.db2.gz LCUNMBSNEQLJDZ-IBGZPJMESA-N 1 0 397.475 3.344 20 5 GGBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000175280114 1427644006 /nfs/dbraw/zinc/64/40/06/1427644006.db2.gz LCUNMBSNEQLJDZ-LJQANCHMSA-N 1 0 397.475 3.344 20 5 GGBDRO Cc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000175279984 1427644413 /nfs/dbraw/zinc/64/44/13/1427644413.db2.gz UWDPFAVLKVWOIM-UHFFFAOYSA-N 1 0 398.463 3.182 20 5 GGBDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000175295968 1427654433 /nfs/dbraw/zinc/65/44/33/1427654433.db2.gz VRMHCFSTIWTXHY-UHFFFAOYSA-N 1 0 390.465 3.059 20 5 GGBDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000175354221 1427701189 /nfs/dbraw/zinc/70/11/89/1427701189.db2.gz KPHFTWGHBLIURW-APWZRJJASA-N 1 0 382.464 3.447 20 5 GGBDRO CC(C)(NC(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000175359439 1427704601 /nfs/dbraw/zinc/70/46/01/1427704601.db2.gz LGDJEPCDUWZFQC-UHFFFAOYSA-N 1 0 397.479 3.189 20 5 GGBDRO COc1ccc(OCC[N@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c([N+](=O)[O-])c1 ZINC000175411562 1427740089 /nfs/dbraw/zinc/74/00/89/1427740089.db2.gz OMKYZVHTTNKVRJ-ASHKIFAZSA-N 1 0 392.477 3.413 20 5 GGBDRO COc1ccc(OCC[N@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c([N+](=O)[O-])c1 ZINC000175411586 1427740121 /nfs/dbraw/zinc/74/01/21/1427740121.db2.gz OMKYZVHTTNKVRJ-PGGUUEOZSA-N 1 0 392.477 3.413 20 5 GGBDRO CC(C)(NC(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000175419741 1427744936 /nfs/dbraw/zinc/74/49/36/1427744936.db2.gz FQVBQBKNJQHSNZ-UHFFFAOYSA-N 1 0 397.479 3.189 20 5 GGBDRO C[C@H]1C[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000175426505 1427748145 /nfs/dbraw/zinc/74/81/45/1427748145.db2.gz OKMXMVMRXTVRHU-QFBILLFUSA-N 1 0 382.464 3.447 20 5 GGBDRO C[C@@H]1C[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000175438622 1427754988 /nfs/dbraw/zinc/75/49/88/1427754988.db2.gz ZHUJRXZRMLJZHY-YLJYHZDGSA-N 1 0 396.491 3.490 20 5 GGBDRO C[C@H]1C[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000175438677 1427755058 /nfs/dbraw/zinc/75/50/58/1427755058.db2.gz ZHUJRXZRMLJZHY-PXNSSMCTSA-N 1 0 396.491 3.490 20 5 GGBDRO C[C@H]1C[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000175438638 1427755097 /nfs/dbraw/zinc/75/50/97/1427755097.db2.gz ZHUJRXZRMLJZHY-FXAWDEMLSA-N 1 0 396.491 3.490 20 5 GGBDRO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000175657870 1427847258 /nfs/dbraw/zinc/84/72/58/1427847258.db2.gz JEZJEFUZAFJFFE-UHFFFAOYSA-N 1 0 395.887 3.261 20 5 GGBDRO C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)(C)C[NH+](C)C ZINC000175819007 1427909483 /nfs/dbraw/zinc/90/94/83/1427909483.db2.gz AUSMAORIDOAWKA-GFCCVEGCSA-N 1 0 376.482 3.424 20 5 GGBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000175974885 1428007620 /nfs/dbraw/zinc/00/76/20/1428007620.db2.gz HFHHKXNTAIBXPF-LJQANCHMSA-N 1 0 382.464 3.258 20 5 GGBDRO C[C@H]1C[C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000176108429 1428087377 /nfs/dbraw/zinc/08/73/77/1428087377.db2.gz VAWCBNRQKWZTMR-HKUYNNGSSA-N 1 0 396.491 3.200 20 5 GGBDRO COc1cc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180172992 1429779993 /nfs/dbraw/zinc/77/99/93/1429779993.db2.gz WJYXXLFYJXWSSG-IUODEOHRSA-N 1 0 386.395 3.248 20 5 GGBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000180181199 1429787096 /nfs/dbraw/zinc/78/70/96/1429787096.db2.gz XAENXXRAURRIRF-UHFFFAOYSA-N 1 0 377.470 3.106 20 5 GGBDRO C[C@]1(O)CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000180199773 1429800052 /nfs/dbraw/zinc/80/00/52/1429800052.db2.gz SEYCFZAFLLZUEO-NRFANRHFSA-N 1 0 378.432 3.404 20 5 GGBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000180282379 1429823904 /nfs/dbraw/zinc/82/39/04/1429823904.db2.gz UOYQVPXVLZLHJW-UHFFFAOYSA-N 1 0 397.479 3.438 20 5 GGBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](COc1ccccc1F)c1ccccc1 ZINC000180307673 1429832184 /nfs/dbraw/zinc/83/21/84/1429832184.db2.gz UPMNYNKTJCYISF-IBGZPJMESA-N 1 0 397.406 3.306 20 5 GGBDRO C[C@H]([NH2+]CC(=O)Nc1cccc(N2CCCC2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000180392091 1429854728 /nfs/dbraw/zinc/85/47/28/1429854728.db2.gz YZHYLVHJVHHHIR-AWEZNQCLSA-N 1 0 382.420 3.011 20 5 GGBDRO C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000180399253 1429857011 /nfs/dbraw/zinc/85/70/11/1429857011.db2.gz KRCHYAGLCQXYFI-ABSDTBQOSA-N 1 0 396.491 3.025 20 5 GGBDRO C[C@@H]([NH2+]CC(=O)NCCOc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000180406395 1429859780 /nfs/dbraw/zinc/85/97/80/1429859780.db2.gz VYNNAGRUVBFOKJ-CYBMUJFWSA-N 1 0 377.828 3.094 20 5 GGBDRO CCN(CC)C(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180408501 1429860123 /nfs/dbraw/zinc/86/01/23/1429860123.db2.gz KLJYHRXHGAWRPO-OAHLLOKOSA-N 1 0 398.463 3.366 20 5 GGBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000180408027 1429860291 /nfs/dbraw/zinc/86/02/91/1429860291.db2.gz NMGWBEJGOKYPNA-SNVBAGLBSA-N 1 0 378.772 3.446 20 5 GGBDRO C[C@@H]([NH2+]CC(=O)Nc1ccnn1Cc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000180415738 1429862778 /nfs/dbraw/zinc/86/27/78/1429862778.db2.gz YQTAAFOIZNMVPB-CYBMUJFWSA-N 1 0 385.449 3.190 20 5 GGBDRO CCOc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000180425326 1429866373 /nfs/dbraw/zinc/86/63/73/1429866373.db2.gz ICAZDYUCWUPHEU-AWEZNQCLSA-N 1 0 387.436 3.083 20 5 GGBDRO C[C@@H]([NH2+]CC(=O)NCCc1ccc(OC(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180427959 1429867148 /nfs/dbraw/zinc/86/71/48/1429867148.db2.gz KENVFJQBRVKIEW-CYBMUJFWSA-N 1 0 393.390 3.206 20 5 GGBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000180432099 1429868148 /nfs/dbraw/zinc/86/81/48/1429868148.db2.gz SVSHLAKESNPJMN-NWDGAFQWSA-N 1 0 388.380 3.189 20 5 GGBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1N1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000180441992 1429870130 /nfs/dbraw/zinc/87/01/30/1429870130.db2.gz RVNNCASKKYLBGH-AWEZNQCLSA-N 1 0 382.420 3.011 20 5 GGBDRO CC(C)NS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000180477937 1429879093 /nfs/dbraw/zinc/87/90/93/1429879093.db2.gz KOQHFBFXJACVCE-ZDUSSCGKSA-N 1 0 397.522 3.302 20 5 GGBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000180508086 1429885422 /nfs/dbraw/zinc/88/54/22/1429885422.db2.gz IRVWRUFULVPZLM-CYBMUJFWSA-N 1 0 385.411 3.438 20 5 GGBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180541237 1429893422 /nfs/dbraw/zinc/89/34/22/1429893422.db2.gz WHZWQEDFIXSMGJ-UHFFFAOYSA-N 1 0 385.420 3.094 20 5 GGBDRO CC1CC[NH+]([C@@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000180597835 1429922403 /nfs/dbraw/zinc/92/24/03/1429922403.db2.gz CJRWXGXLDVNHLD-INIZCTEOSA-N 1 0 388.493 3.442 20 5 GGBDRO COc1cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c([N+](=O)[O-])cc1OC ZINC000180602672 1429926107 /nfs/dbraw/zinc/92/61/07/1429926107.db2.gz VETYGUUIMCHTLB-ZBFHGGJFSA-N 1 0 376.409 3.293 20 5 GGBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccc2c(c1)OCCO2 ZINC000180633597 1429945230 /nfs/dbraw/zinc/94/52/30/1429945230.db2.gz XHHVANWHCGORJJ-MRXNPFEDSA-N 1 0 385.420 3.354 20 5 GGBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000180636789 1429947657 /nfs/dbraw/zinc/94/76/57/1429947657.db2.gz NQNPQMSYJBEFKU-SUMWQHHRSA-N 1 0 385.420 3.434 20 5 GGBDRO CC[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc2c(c1)OCCO2 ZINC000180641094 1429949318 /nfs/dbraw/zinc/94/93/18/1429949318.db2.gz DQJCRCOSACVLLZ-ZWKOTPCHSA-N 1 0 397.431 3.212 20 5 GGBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000180648696 1429954364 /nfs/dbraw/zinc/95/43/64/1429954364.db2.gz DOPYHLCGUZRMSP-OAHLLOKOSA-N 1 0 385.420 3.436 20 5 GGBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 ZINC000180722060 1430000868 /nfs/dbraw/zinc/00/08/68/1430000868.db2.gz AXXRAGFUXZBHKD-MRXNPFEDSA-N 1 0 395.525 3.182 20 5 GGBDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180724096 1430001703 /nfs/dbraw/zinc/00/17/03/1430001703.db2.gz ISWUSWIAJCZWKX-UHFFFAOYSA-N 1 0 386.477 3.287 20 5 GGBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000180729526 1430004172 /nfs/dbraw/zinc/00/41/72/1430004172.db2.gz JCSQNICORFDUCC-GJZGRUSLSA-N 1 0 395.525 3.324 20 5 GGBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1 ZINC000180730556 1430005290 /nfs/dbraw/zinc/00/52/90/1430005290.db2.gz ZDFBODJZFMFUSE-UHFFFAOYSA-N 1 0 385.420 3.095 20 5 GGBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180742361 1430012077 /nfs/dbraw/zinc/01/20/77/1430012077.db2.gz YGWDZRXAUQBKSZ-UHFFFAOYSA-N 1 0 395.887 3.213 20 5 GGBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180747064 1430015580 /nfs/dbraw/zinc/01/55/80/1430015580.db2.gz PLJTZVMDANBHQY-UHFFFAOYSA-N 1 0 395.887 3.213 20 5 GGBDRO CC[NH+](CC)CCCC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000180754918 1430020198 /nfs/dbraw/zinc/02/01/98/1430020198.db2.gz UIXGLPHELHBHJX-UHFFFAOYSA-N 1 0 380.464 3.290 20 5 GGBDRO O=C1[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000180764270 1430025565 /nfs/dbraw/zinc/02/55/65/1430025565.db2.gz HSKAAHFUKWGRBW-BPLDGKMQSA-N 1 0 385.386 3.059 20 5 GGBDRO CCOc1ccc([C@H](C)[NH2+]CCNC(=O)c2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000180788092 1430041131 /nfs/dbraw/zinc/04/11/31/1430041131.db2.gz DUGQOJYOBZWBCI-LBPRGKRZSA-N 1 0 393.390 3.352 20 5 GGBDRO Cc1ccc(C[N@@H+](CCO)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000180844825 1430066961 /nfs/dbraw/zinc/06/69/61/1430066961.db2.gz WJYKOMUKGLALGT-UHFFFAOYSA-N 1 0 380.448 3.298 20 5 GGBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)c([N+](=O)[O-])c1 ZINC000180854375 1430071636 /nfs/dbraw/zinc/07/16/36/1430071636.db2.gz QFFHDXJNBWIECV-CQSZACIVSA-N 1 0 395.419 3.078 20 5 GGBDRO CC(C)([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(F)c(F)c1 ZINC000180861526 1430074567 /nfs/dbraw/zinc/07/45/67/1430074567.db2.gz DLBHPUNVXHVEOK-UHFFFAOYSA-N 1 0 375.375 3.287 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000180864994 1430075799 /nfs/dbraw/zinc/07/57/99/1430075799.db2.gz HZJVIMOCWSPIKR-UHFFFAOYSA-N 1 0 379.363 3.345 20 5 GGBDRO COc1ccc(CN2CC[C@H]([NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000180913433 1430108371 /nfs/dbraw/zinc/10/83/71/1430108371.db2.gz PJAWKOGFCFHSGS-BEFAXECRSA-N 1 0 383.448 3.364 20 5 GGBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000180944065 1430128049 /nfs/dbraw/zinc/12/80/49/1430128049.db2.gz NXDDVYWPLRDIQO-GFCCVEGCSA-N 1 0 385.342 3.048 20 5 GGBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000180947454 1430129418 /nfs/dbraw/zinc/12/94/18/1430129418.db2.gz UCTVSKUPQMSQSQ-INIZCTEOSA-N 1 0 387.461 3.077 20 5 GGBDRO Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000180952123 1430131948 /nfs/dbraw/zinc/13/19/48/1430131948.db2.gz BSMFYKHJOUSZJR-INIZCTEOSA-N 1 0 387.461 3.077 20 5 GGBDRO CCc1nc2ccccc2n1C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000180962030 1430137981 /nfs/dbraw/zinc/13/79/81/1430137981.db2.gz POBLLEDTCYCJTA-UHFFFAOYSA-N 1 0 395.463 3.006 20 5 GGBDRO C[C@H]1C[C@@H](N(C)C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000181109331 1430213733 /nfs/dbraw/zinc/21/37/33/1430213733.db2.gz HDRXYNLRELOYQI-RDJZCZTQSA-N 1 0 382.464 3.302 20 5 GGBDRO CC(=O)c1ccc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000181135648 1430222118 /nfs/dbraw/zinc/22/21/18/1430222118.db2.gz SCSSPXGIORLYLY-LJQANCHMSA-N 1 0 383.448 3.366 20 5 GGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCN1C(=O)COc2ccccc21 ZINC000181150097 1430227609 /nfs/dbraw/zinc/22/76/09/1430227609.db2.gz ULPPBCIWDRARQX-INIZCTEOSA-N 1 0 383.448 3.321 20 5 GGBDRO O=C(C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000181193497 1430244493 /nfs/dbraw/zinc/24/44/93/1430244493.db2.gz USUSSRHFDUBACN-JXFKEZNVSA-N 1 0 395.459 3.241 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181201868 1430246609 /nfs/dbraw/zinc/24/66/09/1430246609.db2.gz MKGGOSVSSAJBOT-KXBFYZLASA-N 1 0 399.447 3.299 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181201888 1430246729 /nfs/dbraw/zinc/24/67/29/1430246729.db2.gz MKGGOSVSSAJBOT-HNAYVOBHSA-N 1 0 399.447 3.299 20 5 GGBDRO CN(C(=O)C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000181216493 1430249827 /nfs/dbraw/zinc/24/98/27/1430249827.db2.gz GCSNVPHXBPSDSV-OXQOHEQNSA-N 1 0 383.448 3.315 20 5 GGBDRO COc1ccc(NC(=O)C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000181236898 1430254061 /nfs/dbraw/zinc/25/40/61/1430254061.db2.gz LNPZPEQOKRPRCT-HNAYVOBHSA-N 1 0 399.447 3.299 20 5 GGBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000181246169 1430255982 /nfs/dbraw/zinc/25/59/82/1430255982.db2.gz YATZBLDOCQIUJQ-AWEZNQCLSA-N 1 0 397.431 3.279 20 5 GGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3OC)C2=O)cc1[N+](=O)[O-] ZINC000181287382 1430263506 /nfs/dbraw/zinc/26/35/06/1430263506.db2.gz NDFQAQHMACQHIM-ZBFHGGJFSA-N 1 0 399.447 3.458 20 5 GGBDRO C[C@H]1C[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@@H+]1Cc1ccccc1 ZINC000181305432 1430268779 /nfs/dbraw/zinc/26/87/79/1430268779.db2.gz QUDNLIZJDFYMBA-WMLDXEAASA-N 1 0 397.431 3.106 20 5 GGBDRO CCC[C@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000181317306 1430271767 /nfs/dbraw/zinc/27/17/67/1430271767.db2.gz ZXRCRIKNBAMYDI-KRWDZBQOSA-N 1 0 382.464 3.304 20 5 GGBDRO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000181404380 1430289979 /nfs/dbraw/zinc/28/99/79/1430289979.db2.gz DEWYVDFFCALJKR-HUUCEWRRSA-N 1 0 396.447 3.399 20 5 GGBDRO COc1ccc(OCC[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)c([N+](=O)[O-])c1 ZINC000181411340 1430291233 /nfs/dbraw/zinc/29/12/33/1430291233.db2.gz AMTPTGQLHOYESN-HNNXBMFYSA-N 1 0 399.447 3.460 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181420162 1430294109 /nfs/dbraw/zinc/29/41/09/1430294109.db2.gz KATJQUKGORTFEB-HNNXBMFYSA-N 1 0 396.447 3.319 20 5 GGBDRO C[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181457414 1430304141 /nfs/dbraw/zinc/30/41/41/1430304141.db2.gz NBGFRERBMSWXII-LSDHHAIUSA-N 1 0 384.480 3.388 20 5 GGBDRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c(C)s1 ZINC000181505299 1430312021 /nfs/dbraw/zinc/31/20/21/1430312021.db2.gz XFMJFQGKOYAJRI-ZDUSSCGKSA-N 1 0 397.522 3.211 20 5 GGBDRO O=C1[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCCN1CC(F)(F)F ZINC000181525876 1430315458 /nfs/dbraw/zinc/31/54/58/1430315458.db2.gz WVJKNKJWJINZQD-CWRNSKLLSA-N 1 0 399.413 3.449 20 5 GGBDRO COc1ccc(NC(=O)CC[NH2+][C@H](c2nc(C)cs2)C2CC2)c([N+](=O)[O-])c1 ZINC000181615491 1430328446 /nfs/dbraw/zinc/32/84/46/1430328446.db2.gz FGMKEXZFDYJSII-KRWDZBQOSA-N 1 0 390.465 3.438 20 5 GGBDRO C[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181634207 1430332153 /nfs/dbraw/zinc/33/21/53/1430332153.db2.gz KBDMEZOUWSKBBN-CVEARBPZSA-N 1 0 397.479 3.163 20 5 GGBDRO C[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181637275 1430332724 /nfs/dbraw/zinc/33/27/24/1430332724.db2.gz XFUSCPLMQBOQLV-HZPDHXFCSA-N 1 0 375.469 3.133 20 5 GGBDRO COc1cccc(C2CC[NH+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000181647353 1430334403 /nfs/dbraw/zinc/33/44/03/1430334403.db2.gz YMTWRLIHJNVIRL-SFHVURJKSA-N 1 0 386.448 3.223 20 5 GGBDRO C[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181655019 1430335880 /nfs/dbraw/zinc/33/58/80/1430335880.db2.gz DTWZJWCXVUPQSE-HOTGVXAUSA-N 1 0 397.479 3.163 20 5 GGBDRO O=C(CCN1CCC[C@@H]1C[NH+]1CCCCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181679411 1430340282 /nfs/dbraw/zinc/34/02/82/1430340282.db2.gz ZENOAYAUDBRSLT-MRXNPFEDSA-N 1 0 378.448 3.013 20 5 GGBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000181683400 1430341180 /nfs/dbraw/zinc/34/11/80/1430341180.db2.gz AUFRNWJBEZQIBE-INIZCTEOSA-N 1 0 395.525 3.062 20 5 GGBDRO CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181811994 1430365553 /nfs/dbraw/zinc/36/55/53/1430365553.db2.gz DSGCHQMHKBBBBT-LBPRGKRZSA-N 1 0 391.449 3.431 20 5 GGBDRO CCOCc1ccccc1CNC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181824200 1430367609 /nfs/dbraw/zinc/36/76/09/1430367609.db2.gz WIEMYZWKQXJEBD-MRXNPFEDSA-N 1 0 385.464 3.407 20 5 GGBDRO COC(=O)c1sccc1NC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181826435 1430368383 /nfs/dbraw/zinc/36/83/83/1430368383.db2.gz XUSXWZBJVJEBJA-NSHDSACASA-N 1 0 377.422 3.041 20 5 GGBDRO CC[NH+](CC)CCCC1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000181828420 1430368633 /nfs/dbraw/zinc/36/86/33/1430368633.db2.gz OWMOSPKDGWWDCM-UHFFFAOYSA-N 1 0 387.484 3.170 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)cc1[N+](=O)[O-] ZINC000181827137 1430368651 /nfs/dbraw/zinc/36/86/51/1430368651.db2.gz AZQUZVWFFHKWOE-AWEZNQCLSA-N 1 0 377.466 3.004 20 5 GGBDRO CCC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000181870491 1430375062 /nfs/dbraw/zinc/37/50/62/1430375062.db2.gz UFWNKIPBYHYAQJ-CVEARBPZSA-N 1 0 386.374 3.302 20 5 GGBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(N2CCCC2)c1 ZINC000181873469 1430375682 /nfs/dbraw/zinc/37/56/82/1430375682.db2.gz DWJYPLYXEGDRPG-OXJNMPFZSA-N 1 0 385.464 3.286 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000181895533 1430379723 /nfs/dbraw/zinc/37/97/23/1430379723.db2.gz ZCRALCZFUKFUFW-GOSISDBHSA-N 1 0 398.463 3.100 20 5 GGBDRO CCc1nc(C)c([C@@H](C)[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000181908361 1430381464 /nfs/dbraw/zinc/38/14/64/1430381464.db2.gz CFZIDWHFRWPEKV-KGLIPLIRSA-N 1 0 379.482 3.355 20 5 GGBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000181936932 1430386074 /nfs/dbraw/zinc/38/60/74/1430386074.db2.gz AMMXEZABSBXKTQ-UHFFFAOYSA-N 1 0 395.525 3.014 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000181977916 1430391276 /nfs/dbraw/zinc/39/12/76/1430391276.db2.gz SOWOMZBQVZVQQJ-KRWDZBQOSA-N 1 0 378.469 3.006 20 5 GGBDRO NC(=O)C[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCCCC1 ZINC000182010146 1430395663 /nfs/dbraw/zinc/39/56/63/1430395663.db2.gz GIPPKNZOABLSLC-KRWDZBQOSA-N 1 0 386.452 3.206 20 5 GGBDRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)O1 ZINC000182036723 1430399799 /nfs/dbraw/zinc/39/97/99/1430399799.db2.gz HXIJLKJCAXXCRK-GUYCJALGSA-N 1 0 389.477 3.049 20 5 GGBDRO CN(C)C(=O)[C@H]1CC[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)O1 ZINC000182039728 1430400430 /nfs/dbraw/zinc/40/04/30/1430400430.db2.gz DODGLSAFPJVNJN-DOTOQJQBSA-N 1 0 389.477 3.049 20 5 GGBDRO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000182057721 1430403311 /nfs/dbraw/zinc/40/33/11/1430403311.db2.gz VQHQCIHKJMCECC-UHFFFAOYSA-N 1 0 383.448 3.123 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000182058013 1430403324 /nfs/dbraw/zinc/40/33/24/1430403324.db2.gz NRDAINNVWJBENU-HOTGVXAUSA-N 1 0 397.431 3.355 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000182160079 1430422169 /nfs/dbraw/zinc/42/21/69/1430422169.db2.gz LLTNGWOBWJEGTF-INIZCTEOSA-N 1 0 396.447 3.090 20 5 GGBDRO Cc1nc2c(s1)[C@@H]([N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC000182168587 1430423597 /nfs/dbraw/zinc/42/35/97/1430423597.db2.gz QXQSWMVRUPETKI-BBRMVZONSA-N 1 0 377.466 3.109 20 5 GGBDRO Cc1cccnc1[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000182175343 1430424441 /nfs/dbraw/zinc/42/44/41/1430424441.db2.gz PTKNIBHMUJYTHH-KRWDZBQOSA-N 1 0 377.466 3.059 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000182174211 1430424499 /nfs/dbraw/zinc/42/44/99/1430424499.db2.gz SNZMYNVSDKOGPG-INIZCTEOSA-N 1 0 397.431 3.355 20 5 GGBDRO COc1ccc(Cl)cc1C[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182190190 1430427077 /nfs/dbraw/zinc/42/70/77/1430427077.db2.gz JEKPWECQRGVVLW-HNNXBMFYSA-N 1 0 380.828 3.129 20 5 GGBDRO O=C(C[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000182200417 1430428698 /nfs/dbraw/zinc/42/86/98/1430428698.db2.gz OTQDKTGINXAPJT-HUUCEWRRSA-N 1 0 390.461 3.133 20 5 GGBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000182205704 1430429825 /nfs/dbraw/zinc/42/98/25/1430429825.db2.gz KERCVIBRDQJBAJ-KSSFIOAISA-N 1 0 399.447 3.034 20 5 GGBDRO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182215291 1430431074 /nfs/dbraw/zinc/43/10/74/1430431074.db2.gz XLPPBPFJYZAEQY-HNNXBMFYSA-N 1 0 384.354 3.485 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000182220729 1430431879 /nfs/dbraw/zinc/43/18/79/1430431879.db2.gz UORUJLIVLQPWPC-RBUKOAKNSA-N 1 0 386.448 3.016 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000182220707 1430432083 /nfs/dbraw/zinc/43/20/83/1430432083.db2.gz UORUJLIVLQPWPC-OALUTQOASA-N 1 0 386.448 3.016 20 5 GGBDRO C[C@H]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@@H+]1Cc1ccccc1 ZINC000182242715 1430435913 /nfs/dbraw/zinc/43/59/13/1430435913.db2.gz UUCPBXKOKOCQBY-HNNXBMFYSA-N 1 0 397.431 3.060 20 5 GGBDRO O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000182296752 1430444293 /nfs/dbraw/zinc/44/42/93/1430444293.db2.gz WOAQCJDJZRYWGI-UHFFFAOYSA-N 1 0 383.448 3.042 20 5 GGBDRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182303413 1430445488 /nfs/dbraw/zinc/44/54/88/1430445488.db2.gz XHEINBMNVNUTPR-UHFFFAOYSA-N 1 0 383.395 3.333 20 5 GGBDRO C[NH+](C)C1CCN(c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000182372695 1430454555 /nfs/dbraw/zinc/45/45/55/1430454555.db2.gz XAKKYBBAADVDRY-UHFFFAOYSA-N 1 0 382.464 3.306 20 5 GGBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1c(C)noc1C ZINC000182396890 1430459437 /nfs/dbraw/zinc/45/94/37/1430459437.db2.gz JMWRBAKIFCCUBL-AWEZNQCLSA-N 1 0 376.413 3.278 20 5 GGBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1c(C)noc1C ZINC000182396905 1430459551 /nfs/dbraw/zinc/45/95/51/1430459551.db2.gz JMWRBAKIFCCUBL-CQSZACIVSA-N 1 0 376.413 3.278 20 5 GGBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)c1ccccc1 ZINC000182410535 1430462751 /nfs/dbraw/zinc/46/27/51/1430462751.db2.gz ACYHTOPYKFGSOP-HNNXBMFYSA-N 1 0 376.478 3.324 20 5 GGBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 ZINC000182452647 1430470068 /nfs/dbraw/zinc/47/00/68/1430470068.db2.gz NMVNEJFYVXGSBW-LPHOPBHVSA-N 1 0 385.464 3.286 20 5 GGBDRO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[NH+](C2CCCCC2)CC1 ZINC000182481222 1430474609 /nfs/dbraw/zinc/47/46/09/1430474609.db2.gz GMVVPSCHUHTCBC-UHFFFAOYSA-N 1 0 383.395 3.287 20 5 GGBDRO CCN(CC)C(=O)CCC1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000182550559 1430489251 /nfs/dbraw/zinc/48/92/51/1430489251.db2.gz HKMJTNNYTZSVDM-UHFFFAOYSA-N 1 0 377.485 3.464 20 5 GGBDRO C[C@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCc2ccccc2C1 ZINC000182620013 1430503767 /nfs/dbraw/zinc/50/37/67/1430503767.db2.gz QIZWOTCXEOOAMI-CABCVRRESA-N 1 0 385.439 3.400 20 5 GGBDRO C[C@@H](C(=O)NCCC[N@@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000182629183 1430505187 /nfs/dbraw/zinc/50/51/87/1430505187.db2.gz WTKUPUNFFCPXRS-OAHLLOKOSA-N 1 0 385.439 3.402 20 5 GGBDRO CCOCCCNC(=O)C1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182650881 1430510458 /nfs/dbraw/zinc/51/04/58/1430510458.db2.gz NVTFVSHZNXMBJW-MRXNPFEDSA-N 1 0 377.485 3.219 20 5 GGBDRO COc1cc(C[N@H+](C)CCc2ccncc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000182673093 1430514440 /nfs/dbraw/zinc/51/44/40/1430514440.db2.gz ORFLISFDWHYALD-UHFFFAOYSA-N 1 0 381.379 3.317 20 5 GGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c2c(c1)COCO2 ZINC000182696172 1430519898 /nfs/dbraw/zinc/51/98/98/1430519898.db2.gz GWZQUHPMRWYYJZ-MJGOQNOKSA-N 1 0 392.358 3.359 20 5 GGBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1C ZINC000183018717 1430594041 /nfs/dbraw/zinc/59/40/41/1430594041.db2.gz RIZUJNDZRYYUDZ-HZPDHXFCSA-N 1 0 395.525 3.143 20 5 GGBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183034613 1430597482 /nfs/dbraw/zinc/59/74/82/1430597482.db2.gz CTOLNYVIZPPXEG-CVEARBPZSA-N 1 0 395.525 3.143 20 5 GGBDRO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C2(CCCCC2)C1 ZINC000183057980 1430601623 /nfs/dbraw/zinc/60/16/23/1430601623.db2.gz UIUFHVUPQLGUNK-UHFFFAOYSA-N 1 0 383.395 3.287 20 5 GGBDRO Cn1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C2CCCCC2)n1 ZINC000183087339 1430609814 /nfs/dbraw/zinc/60/98/14/1430609814.db2.gz TZZPHVPRLRPBHW-KRWDZBQOSA-N 1 0 384.484 3.457 20 5 GGBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000183094195 1430611071 /nfs/dbraw/zinc/61/10/71/1430611071.db2.gz ZIIDHUXWYDXRNZ-UHFFFAOYSA-N 1 0 399.419 3.462 20 5 GGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c1 ZINC000183190943 1430643700 /nfs/dbraw/zinc/64/37/00/1430643700.db2.gz UINWDMMUELNQRX-HNNXBMFYSA-N 1 0 384.358 3.181 20 5 GGBDRO COc1cc(C[N@H+](CCO)C2CCCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000183246385 1430658487 /nfs/dbraw/zinc/65/84/87/1430658487.db2.gz VBVKCPSORQKBLQ-UHFFFAOYSA-N 1 0 388.411 3.374 20 5 GGBDRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CC1 ZINC000183441943 1430712813 /nfs/dbraw/zinc/71/28/13/1430712813.db2.gz VYXJOSZQLJBIPD-NHYWBVRUSA-N 1 0 390.465 3.060 20 5 GGBDRO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CC1 ZINC000183441982 1430713063 /nfs/dbraw/zinc/71/30/63/1430713063.db2.gz VYXJOSZQLJBIPD-XHDPSFHLSA-N 1 0 390.465 3.060 20 5 GGBDRO CC[NH+](CC)CCOc1ccc(CNC(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000183577920 1430745564 /nfs/dbraw/zinc/74/55/64/1430745564.db2.gz QYFOLYKPPFZXDJ-UHFFFAOYSA-N 1 0 387.440 3.032 20 5 GGBDRO CC[NH+]1CCN(c2ccc(NC(=O)Nc3ccncc3[N+](=O)[O-])c(C)c2)CC1 ZINC000183581424 1430746757 /nfs/dbraw/zinc/74/67/57/1430746757.db2.gz KQJRVZQMXBTVMT-UHFFFAOYSA-N 1 0 384.440 3.084 20 5 GGBDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000183588615 1430748613 /nfs/dbraw/zinc/74/86/13/1430748613.db2.gz JNNRMHJSWXEPOK-KRWDZBQOSA-N 1 0 387.440 3.203 20 5 GGBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183597669 1430750639 /nfs/dbraw/zinc/75/06/39/1430750639.db2.gz XYABREJQUHDRRF-GJZGRUSLSA-N 1 0 383.452 3.268 20 5 GGBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183622113 1430756676 /nfs/dbraw/zinc/75/66/76/1430756676.db2.gz IDFIVBKVBXDGOS-QGZVFWFLSA-N 1 0 383.452 3.366 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000183900420 1430810640 /nfs/dbraw/zinc/81/06/40/1430810640.db2.gz RJYMRNUQEVWUIG-HNNXBMFYSA-N 1 0 396.369 3.229 20 5 GGBDRO Cc1ccccc1C([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1C ZINC000183946760 1430816788 /nfs/dbraw/zinc/81/67/88/1430816788.db2.gz SZOZETYICGWGGD-SFHVURJKSA-N 1 0 380.448 3.148 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C(C)(C)c1ncc(C)s1 ZINC000183982027 1430823052 /nfs/dbraw/zinc/82/30/52/1430823052.db2.gz CKGSOFGOIKRWJV-UHFFFAOYSA-N 1 0 378.454 3.222 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000184073139 1430837510 /nfs/dbraw/zinc/83/75/10/1430837510.db2.gz RHJIMXSZVDERKV-WMZOPIPTSA-N 1 0 383.448 3.000 20 5 GGBDRO CCOc1cccc(N2CC[NH+](CCCOCC(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000184078594 1430838382 /nfs/dbraw/zinc/83/83/82/1430838382.db2.gz OEGRLNKKVITLOQ-UHFFFAOYSA-N 1 0 391.390 3.085 20 5 GGBDRO COc1cc(CN2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c([N+](=O)[O-])cc1F ZINC000184195903 1430854551 /nfs/dbraw/zinc/85/45/51/1430854551.db2.gz UNZPRUQFZAHBFD-GJZGRUSLSA-N 1 0 395.475 3.064 20 5 GGBDRO CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184202210 1430855671 /nfs/dbraw/zinc/85/56/71/1430855671.db2.gz SPXHBXXQBODNJC-UHFFFAOYSA-N 1 0 391.493 3.055 20 5 GGBDRO COc1cc(C[NH2+][C@@H](C)C[S@@](C)=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000184256495 1430863196 /nfs/dbraw/zinc/86/31/96/1430863196.db2.gz ZQJQPOGUHNUMPS-PGGUUEOZSA-N 1 0 392.477 3.039 20 5 GGBDRO C[C@H](C[S@](C)=O)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000184266569 1430864974 /nfs/dbraw/zinc/86/49/74/1430864974.db2.gz HOXSSJMCEVWQKW-JMGYQRAPSA-N 1 0 398.488 3.304 20 5 GGBDRO CC[NH+]1CCN(c2cccc(NC(=O)Cc3cccc([N+](=O)[O-])c3C)c2)CC1 ZINC000184272337 1430865769 /nfs/dbraw/zinc/86/57/69/1430865769.db2.gz BDKOPUUPHXAWJW-UHFFFAOYSA-N 1 0 382.464 3.226 20 5 GGBDRO COc1ccccc1S(=O)(=O)CCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000184311392 1430871873 /nfs/dbraw/zinc/87/18/73/1430871873.db2.gz YNZUOFTWOPNPCA-HNNXBMFYSA-N 1 0 392.477 3.426 20 5 GGBDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184349050 1430876214 /nfs/dbraw/zinc/87/62/14/1430876214.db2.gz RLPOVWXCUXXTRL-UHFFFAOYSA-N 1 0 386.477 3.287 20 5 GGBDRO C[NH+](C)Cc1ccc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000184370907 1430879569 /nfs/dbraw/zinc/87/95/69/1430879569.db2.gz ITVAOFKKJQYAKI-UHFFFAOYSA-N 1 0 376.844 3.309 20 5 GGBDRO C[N@H+](CCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000184482121 1430892773 /nfs/dbraw/zinc/89/27/73/1430892773.db2.gz GHHOIAASNTYSQK-UHFFFAOYSA-N 1 0 376.844 3.179 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000184495274 1430894669 /nfs/dbraw/zinc/89/46/69/1430894669.db2.gz BBBJOIRCUOXEFF-MRXNPFEDSA-N 1 0 391.468 3.286 20 5 GGBDRO C[C@@H](C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000184520755 1430897868 /nfs/dbraw/zinc/89/78/68/1430897868.db2.gz JNSYFYKGYNGCPV-CYBMUJFWSA-N 1 0 377.391 3.225 20 5 GGBDRO C[NH+](C)Cc1cc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)ccc1F ZINC000184641105 1430927688 /nfs/dbraw/zinc/92/76/88/1430927688.db2.gz VWHWAGHHIOPELO-UHFFFAOYSA-N 1 0 394.834 3.448 20 5 GGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000184697848 1430945140 /nfs/dbraw/zinc/94/51/40/1430945140.db2.gz IMSRDIPHGJBACI-SFHVURJKSA-N 1 0 396.491 3.339 20 5 GGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000184698535 1430945164 /nfs/dbraw/zinc/94/51/64/1430945164.db2.gz SJVNRJFWXBLCLV-IBGZPJMESA-N 1 0 396.491 3.339 20 5 GGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000184838313 1430999115 /nfs/dbraw/zinc/99/91/15/1430999115.db2.gz STOLWCMDXJMGNN-GOSISDBHSA-N 1 0 391.512 3.169 20 5 GGBDRO COc1cccc([C@@H](CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)[NH+](C)C)c1 ZINC000184912348 1431019518 /nfs/dbraw/zinc/01/95/18/1431019518.db2.gz YQJWWTDOOKQUCY-BFUOFWGJSA-N 1 0 389.427 3.265 20 5 GGBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)o1 ZINC000184918539 1431021167 /nfs/dbraw/zinc/02/11/67/1431021167.db2.gz QNMUOKOMHHYHJW-CQSZACIVSA-N 1 0 377.416 3.329 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000184984033 1431036374 /nfs/dbraw/zinc/03/63/74/1431036374.db2.gz HFTYKAXEGNRMKM-ZNOIYHFQSA-N 1 0 397.431 3.205 20 5 GGBDRO C[C@H](C(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185026977 1431044378 /nfs/dbraw/zinc/04/43/78/1431044378.db2.gz AUMZLMBTGLCXFE-AWEZNQCLSA-N 1 0 386.427 3.013 20 5 GGBDRO COc1cc(CNC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])cc1O ZINC000185223746 1431088776 /nfs/dbraw/zinc/08/87/76/1431088776.db2.gz VKSZUYOYSIANNK-LJQANCHMSA-N 1 0 385.464 3.309 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](c1ncc(C)s1)C1CC1 ZINC000185279015 1431098959 /nfs/dbraw/zinc/09/89/59/1431098959.db2.gz TVTXMQWGNUVMIT-QGZVFWFLSA-N 1 0 390.465 3.438 20 5 GGBDRO COc1ccc(NC(=O)CC[NH2+][C@H](c2ncc(C)s2)C2CC2)c([N+](=O)[O-])c1 ZINC000185308856 1431108082 /nfs/dbraw/zinc/10/80/82/1431108082.db2.gz FSFFTYVPACWHBX-KRWDZBQOSA-N 1 0 390.465 3.438 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](c1ncc(C)s1)C1CC1 ZINC000185372872 1431128613 /nfs/dbraw/zinc/12/86/13/1431128613.db2.gz LVLHQPSWQWOFMW-QGZVFWFLSA-N 1 0 390.465 3.438 20 5 GGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000185427049 1431143213 /nfs/dbraw/zinc/14/32/13/1431143213.db2.gz SQBWCISWYXMDDC-IBGZPJMESA-N 1 0 396.491 3.339 20 5 GGBDRO Cn1cc([C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c2ccc(F)cc2)cn1 ZINC000185442622 1431146362 /nfs/dbraw/zinc/14/63/62/1431146362.db2.gz PDKIJUHMZNRJHW-FQEVSTJZSA-N 1 0 397.410 3.175 20 5 GGBDRO Cc1c(NC(=O)CC[NH+]2CCC(O)(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000185469776 1431152508 /nfs/dbraw/zinc/15/25/08/1431152508.db2.gz JJLRWGRLXXBBLZ-UHFFFAOYSA-N 1 0 383.448 3.215 20 5 GGBDRO COc1cccc(N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000185532025 1431165438 /nfs/dbraw/zinc/16/54/38/1431165438.db2.gz YRDZIEARRYCDJI-HZPDHXFCSA-N 1 0 377.485 3.319 20 5 GGBDRO C[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185539528 1431167305 /nfs/dbraw/zinc/16/73/05/1431167305.db2.gz FDCRDFRNFWHHQE-KSMMKXTCSA-N 1 0 375.444 3.313 20 5 GGBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)[C@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC000185580435 1431175546 /nfs/dbraw/zinc/17/55/46/1431175546.db2.gz PNLMWIFJEHIUHT-CZUORRHYSA-N 1 0 385.420 3.086 20 5 GGBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)[C@@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC000185580402 1431175677 /nfs/dbraw/zinc/17/56/77/1431175677.db2.gz PNLMWIFJEHIUHT-CJNGLKHVSA-N 1 0 385.420 3.086 20 5 GGBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)[C@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC000185631475 1431188938 /nfs/dbraw/zinc/18/89/38/1431188938.db2.gz JIHFCINSQRODOK-CZUORRHYSA-N 1 0 385.420 3.086 20 5 GGBDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000185635000 1431190275 /nfs/dbraw/zinc/19/02/75/1431190275.db2.gz ALCJKVFRVJYUQA-SNVBAGLBSA-N 1 0 399.373 3.260 20 5 GGBDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000185635014 1431190336 /nfs/dbraw/zinc/19/03/36/1431190336.db2.gz ALCJKVFRVJYUQA-JTQLQIEISA-N 1 0 399.373 3.260 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000185645842 1431194148 /nfs/dbraw/zinc/19/41/48/1431194148.db2.gz WNNOENSVOPXDHR-XJKSGUPXSA-N 1 0 385.420 3.086 20 5 GGBDRO C[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185689788 1431207336 /nfs/dbraw/zinc/20/73/36/1431207336.db2.gz WUILGIXWGOFZKM-HOCLYGCPSA-N 1 0 385.468 3.387 20 5 GGBDRO C[C@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000185806490 1431240278 /nfs/dbraw/zinc/24/02/78/1431240278.db2.gz IALQFDLGAJPBDW-OAHLLOKOSA-N 1 0 389.477 3.099 20 5 GGBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000186009846 1431310543 /nfs/dbraw/zinc/31/05/43/1431310543.db2.gz GIBCJRMLUMTQEM-AWEZNQCLSA-N 1 0 382.892 3.415 20 5 GGBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000186009931 1431310671 /nfs/dbraw/zinc/31/06/71/1431310671.db2.gz LGXVPGAGOUPCKI-KSSFIOAISA-N 1 0 392.887 3.407 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000186016029 1431312013 /nfs/dbraw/zinc/31/20/13/1431312013.db2.gz WBOLGDFQGUMSLL-KRWDZBQOSA-N 1 0 376.844 3.350 20 5 GGBDRO CSc1cccc(C(=O)NCC2([NH+]3CCSCC3)CCCC2)c1[N+](=O)[O-] ZINC000186141263 1431340372 /nfs/dbraw/zinc/34/03/72/1431340372.db2.gz USHZICXZTLWGKG-UHFFFAOYSA-N 1 0 395.550 3.408 20 5 GGBDRO CCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186303913 1431376675 /nfs/dbraw/zinc/37/66/75/1431376675.db2.gz ARHLHFILNDGOSM-KRWDZBQOSA-N 1 0 397.431 3.060 20 5 GGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCc1nn(C)c2ccccc12 ZINC000186476347 1431430368 /nfs/dbraw/zinc/43/03/68/1431430368.db2.gz IIOLDUNHKSWLPY-CQSZACIVSA-N 1 0 381.436 3.031 20 5 GGBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186566990 1431455711 /nfs/dbraw/zinc/45/57/11/1431455711.db2.gz QMJMYXNVJUVABB-UFUQCMIWSA-N 1 0 380.448 3.174 20 5 GGBDRO COc1ccc(OCC[NH2+]C(C)(C)c2nc3ccccc3n2C)c([N+](=O)[O-])c1 ZINC000186580075 1431459576 /nfs/dbraw/zinc/45/95/76/1431459576.db2.gz OVTJEYALMTWMTM-UHFFFAOYSA-N 1 0 384.436 3.394 20 5 GGBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186584608 1431460839 /nfs/dbraw/zinc/46/08/39/1431460839.db2.gz HZCXVIXRVINRPC-VYENPZKTSA-N 1 0 380.448 3.174 20 5 GGBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000186608368 1431467859 /nfs/dbraw/zinc/46/78/59/1431467859.db2.gz SMTZIALKCAAKSP-YLJYHZDGSA-N 1 0 388.489 3.370 20 5 GGBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186612016 1431468788 /nfs/dbraw/zinc/46/87/88/1431468788.db2.gz ZRZRAKZIEXLGHF-HNNXBMFYSA-N 1 0 388.855 3.428 20 5 GGBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)cccc1[N+](=O)[O-] ZINC000186635482 1431475674 /nfs/dbraw/zinc/47/56/74/1431475674.db2.gz YRHWJEZDWMHFSO-NRFANRHFSA-N 1 0 381.432 3.363 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N(C)CC[N@H+](C)C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000186709844 1431497744 /nfs/dbraw/zinc/49/77/44/1431497744.db2.gz ZLAINKVMUUYWBL-HNNXBMFYSA-N 1 0 397.479 3.329 20 5 GGBDRO CC(C)(CC[NH+]1CCCCCC1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000186906354 1431561335 /nfs/dbraw/zinc/56/13/35/1431561335.db2.gz AAOMRFFLNTYFFZ-UHFFFAOYSA-N 1 0 383.514 3.059 20 5 GGBDRO CN(CC1([NH+](C)C)CCC1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000187003149 1431587010 /nfs/dbraw/zinc/58/70/10/1431587010.db2.gz FGYQLLAJYPBLLE-UHFFFAOYSA-N 1 0 377.488 3.097 20 5 GGBDRO C[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000187213349 1431650662 /nfs/dbraw/zinc/65/06/62/1431650662.db2.gz YJLKZFXCTURQIU-FOIQADDNSA-N 1 0 393.447 3.202 20 5 GGBDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000187394915 1431718067 /nfs/dbraw/zinc/71/80/67/1431718067.db2.gz PPGQCFANBVLFDL-FQEVSTJZSA-N 1 0 382.464 3.305 20 5 GGBDRO CSc1cccc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000188071701 1431842429 /nfs/dbraw/zinc/84/24/29/1431842429.db2.gz ICNOAZYQCDTWAT-HNNXBMFYSA-N 1 0 377.441 3.489 20 5 GGBDRO CSc1cccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000188246625 1431865447 /nfs/dbraw/zinc/86/54/47/1431865447.db2.gz KHCPVHUVFFCYCW-CJNGLKHVSA-N 1 0 375.494 3.406 20 5 GGBDRO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188328466 1431873619 /nfs/dbraw/zinc/87/36/19/1431873619.db2.gz KWZDSFOZZBHKTA-FQEVSTJZSA-N 1 0 389.883 3.317 20 5 GGBDRO CCCN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000188348442 1431875885 /nfs/dbraw/zinc/87/58/85/1431875885.db2.gz OBNLUKZDKFTHCP-SFHVURJKSA-N 1 0 398.463 3.212 20 5 GGBDRO C[C@@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CC[N@@H+]1CC(C)(C)O ZINC000188669764 1431927249 /nfs/dbraw/zinc/92/72/49/1431927249.db2.gz CSLPRDZRQGNPAG-MRXNPFEDSA-N 1 0 377.488 3.305 20 5 GGBDRO C[C@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CC[N@@H+]1CC(C)(C)O ZINC000188669783 1431927407 /nfs/dbraw/zinc/92/74/07/1431927407.db2.gz CSLPRDZRQGNPAG-INIZCTEOSA-N 1 0 377.488 3.305 20 5 GGBDRO COc1cc(C[NH2+]C[C@H]2CC[C@@H](O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000188808531 1431983241 /nfs/dbraw/zinc/98/32/41/1431983241.db2.gz UBZMZAVWSQCGRA-FUHWJXTLSA-N 1 0 386.448 3.433 20 5 GGBDRO COc1cc(C[NH2+]C[C@@H]2CC[C@H](O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000188855604 1431998724 /nfs/dbraw/zinc/99/87/24/1431998724.db2.gz LENRBGOLEDHALG-APWZRJJASA-N 1 0 386.448 3.433 20 5 GGBDRO Cc1c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000188963269 1432017527 /nfs/dbraw/zinc/01/75/27/1432017527.db2.gz TWKPIWQTZZEAEB-RHSMWYFYSA-N 1 0 375.375 3.057 20 5 GGBDRO Cc1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000189022566 1432028554 /nfs/dbraw/zinc/02/85/54/1432028554.db2.gz SYAVZIMNDYXRQW-RHSMWYFYSA-N 1 0 375.375 3.057 20 5 GGBDRO Cc1cc(NC(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000189310159 1432083353 /nfs/dbraw/zinc/08/33/53/1432083353.db2.gz FFCIDGUCPLFEBH-NRFANRHFSA-N 1 0 398.463 3.004 20 5 GGBDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1ccccc1 ZINC000189575230 1432164664 /nfs/dbraw/zinc/16/46/64/1432164664.db2.gz HMRNHLVIULKQIZ-SFHVURJKSA-N 1 0 391.493 3.493 20 5 GGBDRO O=C(CC[NH+]1CCC(O)(c2ccccc2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000189584009 1432166502 /nfs/dbraw/zinc/16/65/02/1432166502.db2.gz RPTZEOKITTYIAV-UHFFFAOYSA-N 1 0 387.411 3.046 20 5 GGBDRO O=C(CC[N@@H+]1CC[C@]2(C1)OCc1ccccc12)Nc1cc([N+](=O)[O-])ccc1F ZINC000189587185 1432168443 /nfs/dbraw/zinc/16/84/43/1432168443.db2.gz RJHLOFUJNXPKKN-HXUWFJFHSA-N 1 0 385.395 3.194 20 5 GGBDRO CC[NH+](CC)Cc1ccccc1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000189592811 1432170388 /nfs/dbraw/zinc/17/03/88/1432170388.db2.gz CWTANGFNEBWZCM-UHFFFAOYSA-N 1 0 391.493 3.452 20 5 GGBDRO COc1cc(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000189627158 1432183330 /nfs/dbraw/zinc/18/33/30/1432183330.db2.gz QMZDFNVXMLMJKO-LRDDRELGSA-N 1 0 392.374 3.185 20 5 GGBDRO CCC(CC)[C@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)[NH+]1CCCC1 ZINC000189630067 1432185367 /nfs/dbraw/zinc/18/53/67/1432185367.db2.gz VZRHZUNUTWOKQX-KRWDZBQOSA-N 1 0 383.514 3.311 20 5 GGBDRO CC[N@H+](C)Cc1cccc(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)c1 ZINC000189722054 1432214940 /nfs/dbraw/zinc/21/49/40/1432214940.db2.gz PCEBUYKUTICLJA-UHFFFAOYSA-N 1 0 377.466 3.062 20 5 GGBDRO CC[C@@](C)(O)C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccccc1 ZINC000189739844 1432220424 /nfs/dbraw/zinc/22/04/24/1432220424.db2.gz DGBSDSPCVIARBD-JOCHJYFZSA-N 1 0 397.475 3.147 20 5 GGBDRO O=C1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCN1Cc1ccc(F)cc1F ZINC000189785064 1432234288 /nfs/dbraw/zinc/23/42/88/1432234288.db2.gz DONSTWIHRYIIFX-SFHVURJKSA-N 1 0 375.375 3.154 20 5 GGBDRO COc1cc(C[NH2+][C@@H]2CCC[C@H]2CCO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000189968372 1432292655 /nfs/dbraw/zinc/29/26/55/1432292655.db2.gz DFEPKVHFTLLTJT-WCQYABFASA-N 1 0 392.374 3.185 20 5 GGBDRO CC(C)c1ccc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000189976169 1432295722 /nfs/dbraw/zinc/29/57/22/1432295722.db2.gz IGFWPHOVYALQPZ-UHFFFAOYSA-N 1 0 389.496 3.435 20 5 GGBDRO COc1cc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc([N+](=O)[O-])c1C ZINC000190107878 1432321132 /nfs/dbraw/zinc/32/11/32/1432321132.db2.gz MRQAEPNSTBUDER-CABCVRRESA-N 1 0 375.469 3.295 20 5 GGBDRO COC(=O)c1cnc(NC[C@@H](c2cccs2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000190164523 1432331447 /nfs/dbraw/zinc/33/14/47/1432331447.db2.gz DFVOPFMIISSUHP-AWEZNQCLSA-N 1 0 376.438 3.087 20 5 GGBDRO CC[NH+](CC)[C@@H](CNc1ncc(C(=O)OC)cc1[N+](=O)[O-])c1ccsc1 ZINC000190167491 1432331786 /nfs/dbraw/zinc/33/17/86/1432331786.db2.gz GOOQABCSDXSGCW-HNNXBMFYSA-N 1 0 378.454 3.333 20 5 GGBDRO CC(C)c1ccc(C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000190343601 1432364807 /nfs/dbraw/zinc/36/48/07/1432364807.db2.gz UDKJJUHRKGHQRX-OALUTQOASA-N 1 0 397.475 3.083 20 5 GGBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(c1ccccc1)C1CC[NH+](C)CC1 ZINC000190385524 1432371354 /nfs/dbraw/zinc/37/13/54/1432371354.db2.gz YJJPAERVOOLQMX-UHFFFAOYSA-N 1 0 389.477 3.193 20 5 GGBDRO Cc1ccc(S(=O)(=O)N(c2ccccc2)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000190387120 1432371866 /nfs/dbraw/zinc/37/18/66/1432371866.db2.gz CPAKRNOGAHNQNB-UHFFFAOYSA-N 1 0 389.477 3.193 20 5 GGBDRO C[NH+]1CCC(N(c2ccccc2)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000190387065 1432371874 /nfs/dbraw/zinc/37/18/74/1432371874.db2.gz AFMFYBPYLVWRML-UHFFFAOYSA-N 1 0 389.477 3.025 20 5 GGBDRO CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1c[nH]c2ccccc12 ZINC000190455631 1432385339 /nfs/dbraw/zinc/38/53/39/1432385339.db2.gz FGENTUZPGHUCKF-UHFFFAOYSA-N 1 0 378.432 3.487 20 5 GGBDRO CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1c[nH]c2ccccc12 ZINC000190490794 1432391637 /nfs/dbraw/zinc/39/16/37/1432391637.db2.gz KSMISZBBYLLFRM-UHFFFAOYSA-N 1 0 378.432 3.487 20 5 GGBDRO COc1cc(CN2CCC(Oc3ccc(F)nc3)CC2)c([N+](=O)[O-])cc1F ZINC000190512845 1432395718 /nfs/dbraw/zinc/39/57/18/1432395718.db2.gz CZBQTFPEMQRUKD-UHFFFAOYSA-N 1 0 379.363 3.320 20 5 GGBDRO CCn1cc([C@@H]2CN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCO2)cn1 ZINC000190819093 1432493596 /nfs/dbraw/zinc/49/35/96/1432493596.db2.gz CYRIGQMKHPTJDG-IBGZPJMESA-N 1 0 397.435 3.082 20 5 GGBDRO Cc1c(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cccc1[N+](=O)[O-] ZINC000190842510 1432504097 /nfs/dbraw/zinc/50/40/97/1432504097.db2.gz HYBQSPDRGPYZBL-SFHVURJKSA-N 1 0 398.463 3.316 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000190851325 1432507679 /nfs/dbraw/zinc/50/76/79/1432507679.db2.gz BKBRSUZNLBPUOH-IBGZPJMESA-N 1 0 398.463 3.316 20 5 GGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000191325234 1432632604 /nfs/dbraw/zinc/63/26/04/1432632604.db2.gz MILJFBRYMZSRTN-HKUYNNGSSA-N 1 0 390.484 3.101 20 5 GGBDRO CCC1(CC)[C@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1OC ZINC000191372029 1432643510 /nfs/dbraw/zinc/64/35/10/1432643510.db2.gz FOLXFFBXSWYSSH-SJORKVTESA-N 1 0 379.457 3.115 20 5 GGBDRO CCC1(CC)[C@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@H]1OC ZINC000191372062 1432644466 /nfs/dbraw/zinc/64/44/66/1432644466.db2.gz FOLXFFBXSWYSSH-IAGOWNOFSA-N 1 0 379.457 3.115 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000191383514 1432646792 /nfs/dbraw/zinc/64/67/92/1432646792.db2.gz UNZIYTUYPNSDBD-SJORKVTESA-N 1 0 392.500 3.470 20 5 GGBDRO CCC[C@@H]1CN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC[N@@H+]1CCOC ZINC000191413249 1432656961 /nfs/dbraw/zinc/65/69/61/1432656961.db2.gz WQNLPCGWFZKRPE-MRXNPFEDSA-N 1 0 378.473 3.176 20 5 GGBDRO COC[C@H](Cc1ccccc1)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000191478561 1432668841 /nfs/dbraw/zinc/66/88/41/1432668841.db2.gz CZFBDNYDTNKZIZ-IBGZPJMESA-N 1 0 385.464 3.421 20 5 GGBDRO COC[C@H](Cc1ccccc1)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000191489505 1432670562 /nfs/dbraw/zinc/67/05/62/1432670562.db2.gz MFEUJBVTVBDXHY-IBGZPJMESA-N 1 0 385.464 3.421 20 5 GGBDRO O=C1c2ccccc2CCN1CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000191625822 1432695300 /nfs/dbraw/zinc/69/53/00/1432695300.db2.gz YNKPNWMGDMUBAW-FQEVSTJZSA-N 1 0 379.460 3.204 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(c2ccncc2)CC1 ZINC000191656691 1432700720 /nfs/dbraw/zinc/70/07/20/1432700720.db2.gz RBEOIUSHNOVQBP-UHFFFAOYSA-N 1 0 384.436 3.207 20 5 GGBDRO CC(C)([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(OC(F)(F)F)cc1 ZINC000191695284 1432708574 /nfs/dbraw/zinc/70/85/74/1432708574.db2.gz CJQVWGJEJQCLNY-UHFFFAOYSA-N 1 0 385.342 3.180 20 5 GGBDRO COc1cc(C[NH2+]C[C@](C)(Cc2ccccc2)[C@H](C)O)c([N+](=O)[O-])cc1OC ZINC000191714823 1432711989 /nfs/dbraw/zinc/71/19/89/1432711989.db2.gz IOLOKLGHOUACHD-BTYIYWSLSA-N 1 0 388.464 3.331 20 5 GGBDRO COc1cc(C[N@@H+]2C[C@@H](C)[C@H](CO)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000191724359 1432713058 /nfs/dbraw/zinc/71/30/58/1432713058.db2.gz WIZHOXLUPMNOJD-QAPCUYQASA-N 1 0 386.448 3.243 20 5 GGBDRO O=C(C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000191888346 1432747651 /nfs/dbraw/zinc/74/76/51/1432747651.db2.gz MAWLDUIQFZGAPC-CVEARBPZSA-N 1 0 397.431 3.263 20 5 GGBDRO Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c(C[NH+](C)C)c1 ZINC000191902788 1432751461 /nfs/dbraw/zinc/75/14/61/1432751461.db2.gz WDHDXNZMCUTHLY-UHFFFAOYSA-N 1 0 377.466 3.382 20 5 GGBDRO C[C@@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192111735 1432799994 /nfs/dbraw/zinc/79/99/94/1432799994.db2.gz WLXCBPBOGGTIJT-DPZKZMLUSA-N 1 0 391.374 3.320 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192124754 1432802174 /nfs/dbraw/zinc/80/21/74/1432802174.db2.gz JVZLQIJRNGSUJY-VQIMIIECSA-N 1 0 391.374 3.240 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192124759 1432802184 /nfs/dbraw/zinc/80/21/84/1432802184.db2.gz JVZLQIJRNGSUJY-QFBILLFUSA-N 1 0 391.374 3.240 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192124771 1432802242 /nfs/dbraw/zinc/80/22/42/1432802242.db2.gz JVZLQIJRNGSUJY-LPHOPBHVSA-N 1 0 391.374 3.240 20 5 GGBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192226832 1432819636 /nfs/dbraw/zinc/81/96/36/1432819636.db2.gz VAOBWVYQYRCXKZ-HXUWFJFHSA-N 1 0 385.464 3.444 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192351106 1432835298 /nfs/dbraw/zinc/83/52/98/1432835298.db2.gz SYTUBRJKUYQIJM-LRDDRELGSA-N 1 0 385.420 3.303 20 5 GGBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2CCCc3c(O)cccc32)c([N+](=O)[O-])c1 ZINC000192354375 1432835633 /nfs/dbraw/zinc/83/56/33/1432835633.db2.gz QTVCXSAZXHSQHJ-MRXNPFEDSA-N 1 0 385.420 3.305 20 5 GGBDRO COc1cccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000192468165 1432848525 /nfs/dbraw/zinc/84/85/25/1432848525.db2.gz WRZRKRYZBMLKCO-AWEZNQCLSA-N 1 0 389.477 3.307 20 5 GGBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000192542112 1432857258 /nfs/dbraw/zinc/85/72/58/1432857258.db2.gz STEOJABMCFAQJX-UHFFFAOYSA-N 1 0 387.484 3.452 20 5 GGBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000192595025 1432863904 /nfs/dbraw/zinc/86/39/04/1432863904.db2.gz UJPRLDKFRIGHSV-OAHLLOKOSA-N 1 0 387.484 3.432 20 5 GGBDRO O=C1[C@H]([NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000192761087 1432886143 /nfs/dbraw/zinc/88/61/43/1432886143.db2.gz ZRCTWNCKYUXNIJ-DQLDELGASA-N 1 0 395.459 3.458 20 5 GGBDRO CCc1n[nH]c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192777881 1432889434 /nfs/dbraw/zinc/88/94/34/1432889434.db2.gz PGNCLHXQLUBTAV-FUHWJXTLSA-N 1 0 397.479 3.007 20 5 GGBDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192811090 1432893596 /nfs/dbraw/zinc/89/35/96/1432893596.db2.gz RSBOFJYSGZVSPE-ORAYPTAESA-N 1 0 389.477 3.231 20 5 GGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)CCC2 ZINC000192835758 1432896701 /nfs/dbraw/zinc/89/67/01/1432896701.db2.gz IKDKBZRALFGGTM-LIRRHRJNSA-N 1 0 378.375 3.280 20 5 GGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)CCC2 ZINC000192835786 1432896822 /nfs/dbraw/zinc/89/68/22/1432896822.db2.gz IKDKBZRALFGGTM-KUHUBIRLSA-N 1 0 378.375 3.280 20 5 GGBDRO C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000192865792 1432900635 /nfs/dbraw/zinc/90/06/35/1432900635.db2.gz JVAYPUSDIALLMX-WBMJQRKESA-N 1 0 397.884 3.218 20 5 GGBDRO O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2N1 ZINC000192960218 1432913415 /nfs/dbraw/zinc/91/34/15/1432913415.db2.gz QTVYGPBVJNKAOR-INIZCTEOSA-N 1 0 380.448 3.414 20 5 GGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[C@H](O)CN1Cc1ccccc1)CCC2 ZINC000193056966 1432929425 /nfs/dbraw/zinc/92/94/25/1432929425.db2.gz ZJXHBGKDASIBIE-RZUBCFFCSA-N 1 0 381.476 3.197 20 5 GGBDRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000193108376 1432937241 /nfs/dbraw/zinc/93/72/41/1432937241.db2.gz YQXCUSGWJOQUOB-LJQANCHMSA-N 1 0 395.525 3.012 20 5 GGBDRO COc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C2CC2)cc1 ZINC000193344822 1432983066 /nfs/dbraw/zinc/98/30/66/1432983066.db2.gz DSLHQQQGYIBYGD-FQEVSTJZSA-N 1 0 385.420 3.291 20 5 GGBDRO COc1ccc([C@@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C2CC2)cc1 ZINC000193354108 1432984891 /nfs/dbraw/zinc/98/48/91/1432984891.db2.gz ICUQRHJMSUVNTE-NRFANRHFSA-N 1 0 381.432 3.233 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000193492327 1433008216 /nfs/dbraw/zinc/00/82/16/1433008216.db2.gz VHNPJOSYHDPCNP-SCLBCKFNSA-N 1 0 385.420 3.266 20 5 GGBDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1O2 ZINC000193521230 1433013510 /nfs/dbraw/zinc/01/35/10/1433013510.db2.gz NIDHPHZMJIFELY-GOSISDBHSA-N 1 0 399.422 3.452 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N[C@H]3CCC[NH2+][C@H]3C)cc2[N+](=O)[O-])n1 ZINC000193586636 1433024105 /nfs/dbraw/zinc/02/41/05/1433024105.db2.gz GHQZHJQGOLZQRM-AAEUAGOBSA-N 1 0 392.506 3.381 20 5 GGBDRO C[N@H+](CCSCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccccc1 ZINC000193620118 1433030158 /nfs/dbraw/zinc/03/01/58/1433030158.db2.gz KHSJBHYKMUDLCP-UHFFFAOYSA-N 1 0 385.489 3.349 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CSCC[N@H+](C)Cc1ccccc1 ZINC000193623624 1433030373 /nfs/dbraw/zinc/03/03/73/1433030373.db2.gz QMMGYNLGTWMPIL-UHFFFAOYSA-N 1 0 389.477 3.407 20 5 GGBDRO Cc1ccccc1C[NH+]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000193631725 1433031247 /nfs/dbraw/zinc/03/12/47/1433031247.db2.gz LIDQQXMKHYOMDO-UHFFFAOYSA-N 1 0 380.448 3.110 20 5 GGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000193750175 1433051841 /nfs/dbraw/zinc/05/18/41/1433051841.db2.gz OIPMHGMPFVIPBV-UHFFFAOYSA-N 1 0 394.428 3.334 20 5 GGBDRO COc1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1C ZINC000193801198 1433062735 /nfs/dbraw/zinc/06/27/35/1433062735.db2.gz VRCTUMHZQURVHA-KRWDZBQOSA-N 1 0 383.448 3.164 20 5 GGBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000193803275 1433062983 /nfs/dbraw/zinc/06/29/83/1433062983.db2.gz YMTDLWYYWLZWKQ-AWEZNQCLSA-N 1 0 375.375 3.125 20 5 GGBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000193826580 1433067675 /nfs/dbraw/zinc/06/76/75/1433067675.db2.gz VHAMWEIWMRUQQV-HXUWFJFHSA-N 1 0 382.464 3.274 20 5 GGBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(OC)c3[N+](=O)[O-])c(C)c2)CC1 ZINC000193850208 1433072618 /nfs/dbraw/zinc/07/26/18/1433072618.db2.gz OHMMHEDBMPRSOG-UHFFFAOYSA-N 1 0 398.463 3.306 20 5 GGBDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1O2 ZINC000193954004 1433091514 /nfs/dbraw/zinc/09/15/14/1433091514.db2.gz DTBZISIRNSUEIZ-SFHVURJKSA-N 1 0 381.432 3.313 20 5 GGBDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1O2 ZINC000193953223 1433091611 /nfs/dbraw/zinc/09/16/11/1433091611.db2.gz SQGJCSCKZLQBNU-AWEZNQCLSA-N 1 0 387.461 3.374 20 5 GGBDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1O2 ZINC000193957105 1433092084 /nfs/dbraw/zinc/09/20/84/1433092084.db2.gz NJTSDZDBDCEIQS-LJQANCHMSA-N 1 0 395.459 3.242 20 5 GGBDRO CSc1ccc(C(=O)NCc2cccc(OCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000193966297 1433093430 /nfs/dbraw/zinc/09/34/30/1433093430.db2.gz QOJGVNSADLZHCE-UHFFFAOYSA-N 1 0 389.477 3.187 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000194028165 1433103862 /nfs/dbraw/zinc/10/38/62/1433103862.db2.gz KQCLPQWOICJXSU-IBGZPJMESA-N 1 0 398.463 3.182 20 5 GGBDRO CSc1ccc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000194321230 1433160895 /nfs/dbraw/zinc/16/08/95/1433160895.db2.gz KORLBFRWYYDQFE-INIZCTEOSA-N 1 0 377.441 3.489 20 5 GGBDRO CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000194345319 1433164754 /nfs/dbraw/zinc/16/47/54/1433164754.db2.gz JVGRXCKGELNQNJ-UHFFFAOYSA-N 1 0 395.456 3.053 20 5 GGBDRO COc1cccc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)c1[N+](=O)[O-] ZINC000194347257 1433165044 /nfs/dbraw/zinc/16/50/44/1433165044.db2.gz PESAKHGNKOUAQH-UHFFFAOYSA-N 1 0 393.509 3.085 20 5 GGBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000194352029 1433165744 /nfs/dbraw/zinc/16/57/44/1433165744.db2.gz SEKYXDXSBAGJPJ-QGZVFWFLSA-N 1 0 395.459 3.388 20 5 GGBDRO COc1cccc(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000194360407 1433166878 /nfs/dbraw/zinc/16/68/78/1433166878.db2.gz DNGQQXKTSTXPNN-UHFFFAOYSA-N 1 0 383.448 3.340 20 5 GGBDRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3c(C)cccc3[N+](=O)[O-])cc2)CC1 ZINC000194403434 1433172874 /nfs/dbraw/zinc/17/28/74/1433172874.db2.gz GBIPVBQWAUTFTJ-UHFFFAOYSA-N 1 0 382.464 3.293 20 5 GGBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194415861 1433174481 /nfs/dbraw/zinc/17/44/81/1433174481.db2.gz FECFIIBDRPQXIU-SFHVURJKSA-N 1 0 382.464 3.258 20 5 GGBDRO COc1cccc(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)c1[N+](=O)[O-] ZINC000194417976 1433174868 /nfs/dbraw/zinc/17/48/68/1433174868.db2.gz OMEAUOXEQQQIFE-UHFFFAOYSA-N 1 0 382.420 3.372 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)N(C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000194428834 1433176639 /nfs/dbraw/zinc/17/66/39/1433176639.db2.gz HXTIOBNJGSIBAS-OAHLLOKOSA-N 1 0 397.479 3.329 20 5 GGBDRO CC[NH+](CC)[C@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1OC)c1ccco1 ZINC000194480651 1433185146 /nfs/dbraw/zinc/18/51/46/1433185146.db2.gz DIRJGZROQIYRTN-MRXNPFEDSA-N 1 0 390.440 3.079 20 5 GGBDRO COc1cccc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000194528812 1433193029 /nfs/dbraw/zinc/19/30/29/1433193029.db2.gz HSADVOOYRZCETD-KRWDZBQOSA-N 1 0 383.448 3.198 20 5 GGBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000194607609 1433204780 /nfs/dbraw/zinc/20/47/80/1433204780.db2.gz JUMDGRNMENGRGI-KRWDZBQOSA-N 1 0 383.448 3.198 20 5 GGBDRO C[C@@H](NC(=O)NCc1ccccc1OCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000194677418 1433214440 /nfs/dbraw/zinc/21/44/40/1433214440.db2.gz NIYALZCRJQKSOO-OAHLLOKOSA-N 1 0 386.452 3.096 20 5 GGBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194751488 1433224591 /nfs/dbraw/zinc/22/45/91/1433224591.db2.gz AIOGJNYEZUAZRH-IBGZPJMESA-N 1 0 396.491 3.425 20 5 GGBDRO COc1ccc(CSCC(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000194773220 1433228971 /nfs/dbraw/zinc/22/89/71/1433228971.db2.gz IZIXKYVRTKMYLR-UHFFFAOYSA-N 1 0 395.525 3.216 20 5 GGBDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194780690 1433230220 /nfs/dbraw/zinc/23/02/20/1433230220.db2.gz CFRUZKVBTHZFAK-UHFFFAOYSA-N 1 0 398.463 3.306 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000194809222 1433237470 /nfs/dbraw/zinc/23/74/70/1433237470.db2.gz KPIQPODMJODGKR-IAGOWNOFSA-N 1 0 389.496 3.255 20 5 GGBDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000194858553 1433250079 /nfs/dbraw/zinc/25/00/79/1433250079.db2.gz CRLRHOWZEZSQMN-LJQANCHMSA-N 1 0 388.424 3.056 20 5 GGBDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000194860890 1433250751 /nfs/dbraw/zinc/25/07/51/1433250751.db2.gz DQHQKHKNIUJXRM-LJQANCHMSA-N 1 0 388.424 3.056 20 5 GGBDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000194865337 1433251871 /nfs/dbraw/zinc/25/18/71/1433251871.db2.gz WFKIROIJAINAOG-FQEVSTJZSA-N 1 0 391.468 3.143 20 5 GGBDRO COc1cccc(C2CC[NH+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000194877447 1433254381 /nfs/dbraw/zinc/25/43/81/1433254381.db2.gz CAFIXURZTVXRIJ-LJQANCHMSA-N 1 0 386.448 3.223 20 5 GGBDRO COc1cccc(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000194917178 1433264066 /nfs/dbraw/zinc/26/40/66/1433264066.db2.gz RRFIKSXHYUFBHT-GOSISDBHSA-N 1 0 383.448 3.244 20 5 GGBDRO COc1cc(C[NH2+]CC2CCOCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000195016284 1433280965 /nfs/dbraw/zinc/28/09/65/1433280965.db2.gz PVFYSEGCTNYJIU-UHFFFAOYSA-N 1 0 378.347 3.061 20 5 GGBDRO COc1ccc([C@@H](CNc2c3c(ccc2[N+](=O)[O-])NCC3)[NH+](C)C)cc1OC ZINC000195174959 1433302978 /nfs/dbraw/zinc/30/29/78/1433302978.db2.gz OGWORCRPUSHOFO-QGZVFWFLSA-N 1 0 386.452 3.295 20 5 GGBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000195180015 1433303623 /nfs/dbraw/zinc/30/36/23/1433303623.db2.gz IHDQLPWOTKQDAF-UHFFFAOYSA-N 1 0 386.477 3.323 20 5 GGBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(OC)c3)c(C)c2)CC1 ZINC000195227924 1433309560 /nfs/dbraw/zinc/30/95/60/1433309560.db2.gz GQFXPGDXQWZFCY-UHFFFAOYSA-N 1 0 398.463 3.306 20 5 GGBDRO O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195235875 1433310342 /nfs/dbraw/zinc/31/03/42/1433310342.db2.gz PCFCVTJHAUCTMJ-OKILXGFUSA-N 1 0 387.823 3.332 20 5 GGBDRO C[N@H+](CCOc1cccc(CNc2ncc([N+](=O)[O-])s2)c1)C1CCOCC1 ZINC000195513177 1433338077 /nfs/dbraw/zinc/33/80/77/1433338077.db2.gz PNPIQDBGXPHFET-UHFFFAOYSA-N 1 0 392.481 3.153 20 5 GGBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000195684304 1433344639 /nfs/dbraw/zinc/34/46/39/1433344639.db2.gz OMOQNWHSTVZBGA-UHFFFAOYSA-N 1 0 396.491 3.400 20 5 GGBDRO Cc1cc(C(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc([N+](=O)[O-])c1 ZINC000195694067 1433345018 /nfs/dbraw/zinc/34/50/18/1433345018.db2.gz BILGSYQHMLHVMK-IRXDYDNUSA-N 1 0 397.475 3.442 20 5 GGBDRO CC(C)([NH3+])CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000236634611 1433374826 /nfs/dbraw/zinc/37/48/26/1433374826.db2.gz YHFVAKYDZRWSNE-UHFFFAOYSA-N 1 0 376.844 3.327 20 5 GGBDRO CC(=O)Nc1cccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000236620712 1433374837 /nfs/dbraw/zinc/37/48/37/1433374837.db2.gz BIWIPBAANTXNBN-UHFFFAOYSA-N 1 0 379.420 3.244 20 5 GGBDRO CC[NH2+]CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)CC1 ZINC000236844665 1433380764 /nfs/dbraw/zinc/38/07/64/1433380764.db2.gz LOXSXZBCAUNDRP-UHFFFAOYSA-N 1 0 388.512 3.293 20 5 GGBDRO CCNC(=O)c1cccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000236983750 1433384857 /nfs/dbraw/zinc/38/48/57/1433384857.db2.gz XUZGXUNQEBNTEZ-UHFFFAOYSA-N 1 0 393.447 3.035 20 5 GGBDRO C[NH2+]CC1CCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000237082877 1433388499 /nfs/dbraw/zinc/38/84/99/1433388499.db2.gz IDNBSRVJIKOUBI-OAHLLOKOSA-N 1 0 397.479 3.235 20 5 GGBDRO COc1cc(C[NH2+]C[C@@H]2CCCN2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237242289 1433393850 /nfs/dbraw/zinc/39/38/50/1433393850.db2.gz JYNONHTYTQSTEZ-SFHVURJKSA-N 1 0 385.464 3.366 20 5 GGBDRO C[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)N1CCOCC1 ZINC000237409692 1433401828 /nfs/dbraw/zinc/40/18/28/1433401828.db2.gz GHGCKJVWTJOBRA-ZDUSSCGKSA-N 1 0 379.844 3.319 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@H](C[NH3+])C2)cc1 ZINC000237455234 1433404014 /nfs/dbraw/zinc/40/40/14/1433404014.db2.gz GCUCRINEQKBLPL-CQSZACIVSA-N 1 0 385.420 3.207 20 5 GGBDRO COc1ccc([C@@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])N2CCOCC2)cc1 ZINC000237491218 1433405739 /nfs/dbraw/zinc/40/57/39/1433405739.db2.gz JYNQZCUAEYFXJK-UKKYDJSUSA-N 1 0 397.475 3.280 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000237537285 1433408540 /nfs/dbraw/zinc/40/85/40/1433408540.db2.gz FNELLCJYQITJBJ-GOEBONIOSA-N 1 0 383.452 3.116 20 5 GGBDRO C[C@H]1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[NH2+]1 ZINC000237560695 1433409587 /nfs/dbraw/zinc/40/95/87/1433409587.db2.gz HUOPNHDTEVECPQ-LBPRGKRZSA-N 1 0 375.812 3.474 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N3CC[C@@H]([NH3+])C[C@@H]3C)cc2[N+](=O)[O-])n1 ZINC000237623160 1433413323 /nfs/dbraw/zinc/41/33/23/1433413323.db2.gz LRWNENGZNQXFRV-WCQYABFASA-N 1 0 392.506 3.463 20 5 GGBDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccccc3[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000237658782 1433415369 /nfs/dbraw/zinc/41/53/69/1433415369.db2.gz IGUSIAOZGCRMMG-HZPDHXFCSA-N 1 0 383.448 3.134 20 5 GGBDRO O=C1[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000237750359 1433421086 /nfs/dbraw/zinc/42/10/86/1433421086.db2.gz SSLHFDBZVYGLRJ-MRXNPFEDSA-N 1 0 395.337 3.389 20 5 GGBDRO O=C1[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000237750820 1433421102 /nfs/dbraw/zinc/42/11/02/1433421102.db2.gz SSLHFDBZVYGLRJ-INIZCTEOSA-N 1 0 395.337 3.389 20 5 GGBDRO O=C1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000237750309 1433421207 /nfs/dbraw/zinc/42/12/07/1433421207.db2.gz FLDKQVKRKQHRNQ-MRXNPFEDSA-N 1 0 395.337 3.389 20 5 GGBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC([NH2+]CC2CC2)CC1 ZINC000237751529 1433421320 /nfs/dbraw/zinc/42/13/20/1433421320.db2.gz VLGVNQBGZDXYLA-UHFFFAOYSA-N 1 0 381.860 3.008 20 5 GGBDRO Cn1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c(-c2ccc3c(c2)OCCCO3)n1 ZINC000237772423 1433422888 /nfs/dbraw/zinc/42/28/88/1433422888.db2.gz XIFJAVWCVLFLKN-UHFFFAOYSA-N 1 0 394.431 3.446 20 5 GGBDRO Cc1c(C(=O)Nc2ccccc2C(=O)OC2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000237778659 1433423339 /nfs/dbraw/zinc/42/33/39/1433423339.db2.gz HVNGTDICPNYNTE-UHFFFAOYSA-N 1 0 383.404 3.064 20 5 GGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC2(N3CCOCC3)CCCCC2)c1 ZINC000237818234 1433426110 /nfs/dbraw/zinc/42/61/10/1433426110.db2.gz WUOKDHFSXDFLED-UHFFFAOYSA-N 1 0 399.438 3.321 20 5 GGBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000237884884 1433431480 /nfs/dbraw/zinc/43/14/80/1433431480.db2.gz BIYAHMWRZOUZMF-OAHLLOKOSA-N 1 0 388.855 3.342 20 5 GGBDRO [NH3+]C[C@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000237906890 1433433646 /nfs/dbraw/zinc/43/36/46/1433433646.db2.gz GDTARVJRLZWLTL-AWEZNQCLSA-N 1 0 389.374 3.173 20 5 GGBDRO [NH3+][C@@H](CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000237973236 1433437782 /nfs/dbraw/zinc/43/77/82/1433437782.db2.gz MBOKCGVTSDLOSM-AWEZNQCLSA-N 1 0 396.369 3.232 20 5 GGBDRO [NH3+]C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CCCCC1 ZINC000238072628 1433442172 /nfs/dbraw/zinc/44/21/72/1433442172.db2.gz UVGWJHCDKOIQOT-LJQANCHMSA-N 1 0 377.488 3.179 20 5 GGBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245436351 1433467311 /nfs/dbraw/zinc/46/73/11/1433467311.db2.gz DGOLFMFDSJDIBE-CABCVRRESA-N 1 0 394.903 3.383 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000245439611 1433467939 /nfs/dbraw/zinc/46/79/39/1433467939.db2.gz FXZPNWFKEBMXQH-HNAYVOBHSA-N 1 0 399.447 3.394 20 5 GGBDRO Cc1cccc(C)c1NC(=O)[C@@H](C)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245445305 1433469322 /nfs/dbraw/zinc/46/93/22/1433469322.db2.gz KGLAKKMNOMHJOR-HZPDHXFCSA-N 1 0 383.452 3.120 20 5 GGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000245448265 1433469585 /nfs/dbraw/zinc/46/95/85/1433469585.db2.gz MTKGJUNTXUAXAC-FUHWJXTLSA-N 1 0 383.448 3.461 20 5 GGBDRO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245446561 1433469640 /nfs/dbraw/zinc/46/96/40/1433469640.db2.gz LHFXHUVYEAAYIN-YESZJQIVSA-N 1 0 397.479 3.050 20 5 GGBDRO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000245449481 1433469928 /nfs/dbraw/zinc/46/99/28/1433469928.db2.gz NSVFDUYCQDSNHP-NHCUHLMSSA-N 1 0 398.438 3.403 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000245458149 1433472047 /nfs/dbraw/zinc/47/20/47/1433472047.db2.gz CNTCJJVEIUXSBK-PGGUUEOZSA-N 1 0 389.477 3.272 20 5 GGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H](O)CN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000245596680 1433489135 /nfs/dbraw/zinc/48/91/35/1433489135.db2.gz NJLBNYJUCQWLCW-FFZOFVMBSA-N 1 0 399.491 3.280 20 5 GGBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245679423 1433498404 /nfs/dbraw/zinc/49/84/04/1433498404.db2.gz GULKJUNFBHMWDY-VQTJNVASSA-N 1 0 388.512 3.004 20 5 GGBDRO Cc1c(NC(=O)CC[N@H+]2CCN(C)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000245682655 1433498760 /nfs/dbraw/zinc/49/87/60/1433498760.db2.gz KHTHUFPPHXYJJQ-FQEVSTJZSA-N 1 0 382.464 3.221 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000245727732 1433506558 /nfs/dbraw/zinc/50/65/58/1433506558.db2.gz SIBDAJZLEIOHCX-FQEVSTJZSA-N 1 0 382.464 3.221 20 5 GGBDRO Cc1c(NC(=O)CC[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000245831559 1433523835 /nfs/dbraw/zinc/52/38/35/1433523835.db2.gz GKKYLABUQDVLJH-HOTGVXAUSA-N 1 0 393.509 3.218 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1SC ZINC000245839838 1433524718 /nfs/dbraw/zinc/52/47/18/1433524718.db2.gz FONAXLPLFHIGEZ-QWHCGFSZSA-N 1 0 381.498 3.176 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000245998960 1433555862 /nfs/dbraw/zinc/55/58/62/1433555862.db2.gz XZLZNEARUORUGE-DLBZAZTESA-N 1 0 393.509 3.218 20 5 GGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000246198056 1433580889 /nfs/dbraw/zinc/58/08/89/1433580889.db2.gz VHZHPIUBPNCCKC-QZTJIDSGSA-N 1 0 388.512 3.366 20 5 GGBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N1CC[C@@H](CO)C1 ZINC000246260493 1433587459 /nfs/dbraw/zinc/58/74/59/1433587459.db2.gz GFMHYBZXABMEJT-FZKQIMNGSA-N 1 0 389.839 3.242 20 5 GGBDRO C[C@@]1(O)CCN([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 ZINC000246289569 1433590155 /nfs/dbraw/zinc/59/01/55/1433590155.db2.gz AHEDBZVMZZSNBH-IEBWSBKVSA-N 1 0 389.839 3.385 20 5 GGBDRO CC(C)C[N@H+](C[C@H](O)c1ccc(F)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246319351 1433594340 /nfs/dbraw/zinc/59/43/40/1433594340.db2.gz RORDAPUXALHXHD-VQTJNVASSA-N 1 0 376.428 3.459 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000246367200 1433601530 /nfs/dbraw/zinc/60/15/30/1433601530.db2.gz LHPAZSQKPPKSAX-IAGOWNOFSA-N 1 0 375.469 3.087 20 5 GGBDRO COc1ccc(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000246377462 1433603497 /nfs/dbraw/zinc/60/34/97/1433603497.db2.gz MJFJGMNTMFWYTJ-JKSUJKDBSA-N 1 0 375.469 3.330 20 5 GGBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@@H](C[NH+](C)C)C3)cc2[N+](=O)[O-])C1 ZINC000246394184 1433606282 /nfs/dbraw/zinc/60/62/82/1433606282.db2.gz PQCOJQZHPQAKQO-ZACQAIPSSA-N 1 0 388.512 3.101 20 5 GGBDRO O=C(C[C@@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000246429276 1433611680 /nfs/dbraw/zinc/61/16/80/1433611680.db2.gz DAGVWTIZERDOAD-GOEBONIOSA-N 1 0 390.461 3.133 20 5 GGBDRO CCc1nc(C)c([C@H](C)[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000246524535 1433625267 /nfs/dbraw/zinc/62/52/67/1433625267.db2.gz BYYGHRIKRNRLRX-DZGCQCFKSA-N 1 0 379.482 3.355 20 5 GGBDRO O=C(CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000246528527 1433625708 /nfs/dbraw/zinc/62/57/08/1433625708.db2.gz JGDXOQZCMAIYJL-SCLBCKFNSA-N 1 0 392.887 3.135 20 5 GGBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000246541494 1433628109 /nfs/dbraw/zinc/62/81/09/1433628109.db2.gz GLMSBTZRRVMYTH-YOEHRIQHSA-N 1 0 386.477 3.275 20 5 GGBDRO COc1ccc(OCC[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c([N+](=O)[O-])c1 ZINC000246568619 1433632353 /nfs/dbraw/zinc/63/23/53/1433632353.db2.gz KYEKEEYXTKLDKW-WMLDXEAASA-N 1 0 376.409 3.163 20 5 GGBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c([N+](=O)[O-])c1 ZINC000246568614 1433632366 /nfs/dbraw/zinc/63/23/66/1433632366.db2.gz KYEKEEYXTKLDKW-RHSMWYFYSA-N 1 0 376.409 3.163 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246655543 1433645831 /nfs/dbraw/zinc/64/58/31/1433645831.db2.gz AAGHJCXCCSEOGS-HOCLYGCPSA-N 1 0 395.525 3.184 20 5 GGBDRO C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000246689144 1433650391 /nfs/dbraw/zinc/65/03/91/1433650391.db2.gz IKJKSOUJSXUMON-ZNMIVQPWSA-N 1 0 399.447 3.283 20 5 GGBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246736409 1433657886 /nfs/dbraw/zinc/65/78/86/1433657886.db2.gz XSVOSIYKTNAZSD-QFBILLFUSA-N 1 0 399.495 3.001 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000246768876 1433663058 /nfs/dbraw/zinc/66/30/58/1433663058.db2.gz UTFQUYWJQJIOME-KSSFIOAISA-N 1 0 397.903 3.044 20 5 GGBDRO O=C(CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000246864700 1433679999 /nfs/dbraw/zinc/67/99/99/1433679999.db2.gz PUGSFBYRPLTFFO-GUYCJALGSA-N 1 0 392.887 3.135 20 5 GGBDRO O=C(CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000246864723 1433680170 /nfs/dbraw/zinc/68/01/70/1433680170.db2.gz PUGSFBYRPLTFFO-SUMWQHHRSA-N 1 0 392.887 3.135 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2)c1 ZINC000246877358 1433681395 /nfs/dbraw/zinc/68/13/95/1433681395.db2.gz QIRHBGCUCKRKCF-YJBOKZPZSA-N 1 0 383.452 3.094 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2)c1 ZINC000246877335 1433681488 /nfs/dbraw/zinc/68/14/88/1433681488.db2.gz QIRHBGCUCKRKCF-MAUKXSAKSA-N 1 0 383.452 3.094 20 5 GGBDRO CCOC(=O)c1ccnc(N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000246889332 1433683166 /nfs/dbraw/zinc/68/31/66/1433683166.db2.gz GJPZTVSUKPQMLV-MRXNPFEDSA-N 1 0 398.463 3.267 20 5 GGBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@H]3CCC[N@H+](C)C3)cc2[N+](=O)[O-])C1 ZINC000247235776 1433694762 /nfs/dbraw/zinc/69/47/62/1433694762.db2.gz UQXPNZCXOWQQGA-BRWVUGGUSA-N 1 0 388.512 3.149 20 5 GGBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000247422999 1433720611 /nfs/dbraw/zinc/72/06/11/1433720611.db2.gz NGGYMEYTKJTYRU-YPGOJHLTSA-N 1 0 396.491 3.280 20 5 GGBDRO Nc1c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000248064552 1433767211 /nfs/dbraw/zinc/76/72/11/1433767211.db2.gz MCFQRRYDAMJVRS-PKOBYXMFSA-N 1 0 394.475 3.304 20 5 GGBDRO COc1cccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC)[NH+]2CCCC2)c1 ZINC000248139323 1433773322 /nfs/dbraw/zinc/77/33/22/1433773322.db2.gz OTLIDWGDQQBMFO-LJQANCHMSA-N 1 0 399.447 3.179 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000248148286 1433774894 /nfs/dbraw/zinc/77/48/94/1433774894.db2.gz UIYFAEVDUHWVCM-OAHLLOKOSA-N 1 0 385.468 3.301 20 5 GGBDRO COc1cc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000248183724 1433778636 /nfs/dbraw/zinc/77/86/36/1433778636.db2.gz WXZJIBLEDHEAMP-SCLBCKFNSA-N 1 0 386.395 3.332 20 5 GGBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@H]21 ZINC000248199930 1433779783 /nfs/dbraw/zinc/77/97/83/1433779783.db2.gz YISQQSYARDEXQU-RHSMWYFYSA-N 1 0 386.477 3.275 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000248444394 1433803213 /nfs/dbraw/zinc/80/32/13/1433803213.db2.gz FXDJQDPXZWMZOP-DOTOQJQBSA-N 1 0 392.839 3.141 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000248459477 1433804660 /nfs/dbraw/zinc/80/46/60/1433804660.db2.gz NRDAINNVWJBENU-JKSUJKDBSA-N 1 0 397.431 3.355 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000248468719 1433805003 /nfs/dbraw/zinc/80/50/03/1433805003.db2.gz UGLUEVAZAAFCSO-DLBZAZTESA-N 1 0 388.489 3.449 20 5 GGBDRO C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000248547343 1433807787 /nfs/dbraw/zinc/80/77/87/1433807787.db2.gz FDCRDFRNFWHHQE-CKFHNAJUSA-N 1 0 375.444 3.313 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000248564060 1433808755 /nfs/dbraw/zinc/80/87/55/1433808755.db2.gz HTMGHRURHWZQAC-RDJZCZTQSA-N 1 0 378.473 3.162 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000248612865 1433811345 /nfs/dbraw/zinc/81/13/45/1433811345.db2.gz YCFGNFRABQJURG-DOXZYTNZSA-N 1 0 395.475 3.091 20 5 GGBDRO COc1cccc(C(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000248834933 1433824976 /nfs/dbraw/zinc/82/49/76/1433824976.db2.gz CPUUKQNOITXEFV-IGOJGBNBSA-N 1 0 397.475 3.490 20 5 GGBDRO COc1cccc(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1[N+](=O)[O-] ZINC000248841059 1433825302 /nfs/dbraw/zinc/82/53/02/1433825302.db2.gz QRNFIODLLPCYPX-HZPDHXFCSA-N 1 0 375.469 3.330 20 5 GGBDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000249078874 1433834195 /nfs/dbraw/zinc/83/41/95/1433834195.db2.gz RHTLRSDHMDYPKB-PDSMFRHLSA-N 1 0 391.374 3.320 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000249128763 1433836524 /nfs/dbraw/zinc/83/65/24/1433836524.db2.gz UNZIYTUYPNSDBD-DLBZAZTESA-N 1 0 392.500 3.470 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000249128766 1433836620 /nfs/dbraw/zinc/83/66/20/1433836620.db2.gz UNZIYTUYPNSDBD-IRXDYDNUSA-N 1 0 392.500 3.470 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cccc(SC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000249146467 1433837552 /nfs/dbraw/zinc/83/75/52/1433837552.db2.gz UOKAFSITGWHOHA-HOCLYGCPSA-N 1 0 395.525 3.184 20 5 GGBDRO COc1cc(CN2CC[C@@H](O)[C@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000250080139 1433854323 /nfs/dbraw/zinc/85/43/23/1433854323.db2.gz OZPIXMBTKRCKGV-DNVCBOLYSA-N 1 0 386.448 3.385 20 5 GGBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@@H]([NH+](C)C)C3)cc2[N+](=O)[O-])C1 ZINC000252352860 1433863001 /nfs/dbraw/zinc/86/30/01/1433863001.db2.gz OFKVABRJHCSBLD-SOLBZPMBSA-N 1 0 388.512 3.243 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000252441539 1433863191 /nfs/dbraw/zinc/86/31/91/1433863191.db2.gz NICIVYJEWYREAO-UONOGXRCSA-N 1 0 378.448 3.043 20 5 GGBDRO C[C@@H]1CN(c2ccc(C[NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)cn2)CCO1 ZINC000253354909 1433865702 /nfs/dbraw/zinc/86/57/02/1433865702.db2.gz QWZXJYGEECKSDA-QRWLVFNGSA-N 1 0 382.464 3.382 20 5 GGBDRO C[NH+](C)CCn1ncc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1-c1ccccc1 ZINC000253431960 1433867499 /nfs/dbraw/zinc/86/74/99/1433867499.db2.gz VEYGBEYTSJIWNH-UHFFFAOYSA-N 1 0 379.420 3.272 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000255036231 1433874751 /nfs/dbraw/zinc/87/47/51/1433874751.db2.gz HTMJYGLXPIAMCT-FUHWJXTLSA-N 1 0 392.477 3.077 20 5 GGBDRO C[NH+](C)CCCOc1ccc(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000255354600 1433881066 /nfs/dbraw/zinc/88/10/66/1433881066.db2.gz BVSJQEZCICHBNZ-JYRVWZFOSA-N 1 0 383.448 3.255 20 5 GGBDRO C[NH2+][C@H](C)CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000261629073 1433897839 /nfs/dbraw/zinc/89/78/39/1433897839.db2.gz CDUMOGUIGJJINX-GFCCVEGCSA-N 1 0 376.844 3.198 20 5 GGBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000261675907 1433898887 /nfs/dbraw/zinc/89/88/87/1433898887.db2.gz AKTONWMKLUMDRA-QGZVFWFLSA-N 1 0 389.839 3.190 20 5 GGBDRO CCc1ccc([C@@H]2C[NH2+]CCN2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000261686481 1433899007 /nfs/dbraw/zinc/89/90/07/1433899007.db2.gz ISZJMAWZXQCRNR-IBGZPJMESA-N 1 0 393.447 3.354 20 5 GGBDRO CCc1ccc([C@@H]2C[NH2+]CCN2CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000261689222 1433899180 /nfs/dbraw/zinc/89/91/80/1433899180.db2.gz IYJAMYHNSWMYRV-IBGZPJMESA-N 1 0 382.464 3.051 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000261713575 1433899695 /nfs/dbraw/zinc/89/96/95/1433899695.db2.gz MSZOJBYPFKWAGV-SFHVURJKSA-N 1 0 388.855 3.142 20 5 GGBDRO C[C@@H]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000261846854 1433906687 /nfs/dbraw/zinc/90/66/87/1433906687.db2.gz QBBUIJOWCYFHMZ-QAPCUYQASA-N 1 0 382.464 3.406 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000261889188 1433910322 /nfs/dbraw/zinc/91/03/22/1433910322.db2.gz ZMILVTQUHYOOOD-LJQANCHMSA-N 1 0 386.427 3.017 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000261981558 1433919098 /nfs/dbraw/zinc/91/90/98/1433919098.db2.gz OEAGTGRKCUFPAQ-UONOGXRCSA-N 1 0 385.420 3.205 20 5 GGBDRO Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000262072570 1433925828 /nfs/dbraw/zinc/92/58/28/1433925828.db2.gz SEDZWYNCRYFGJO-KRWDZBQOSA-N 1 0 383.477 3.203 20 5 GGBDRO COc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000262141534 1433928475 /nfs/dbraw/zinc/92/84/75/1433928475.db2.gz XEPRHHIPECABDC-INIZCTEOSA-N 1 0 375.812 3.044 20 5 GGBDRO COc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000262141535 1433928530 /nfs/dbraw/zinc/92/85/30/1433928530.db2.gz XEPRHHIPECABDC-MRXNPFEDSA-N 1 0 375.812 3.044 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CC[NH2+]C[C@H]3c3ccccc3Cl)n2)c1 ZINC000262315433 1433934679 /nfs/dbraw/zinc/93/46/79/1433934679.db2.gz ZRIPQLAAJGSIAM-KRWDZBQOSA-N 1 0 399.838 3.445 20 5 GGBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262464955 1433940125 /nfs/dbraw/zinc/94/01/25/1433940125.db2.gz XSEXXERDQHWIAZ-QGZVFWFLSA-N 1 0 386.477 3.023 20 5 GGBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2[N+](=O)[O-])C1 ZINC000262518665 1433942194 /nfs/dbraw/zinc/94/21/94/1433942194.db2.gz WGAOPVUKBDFJEZ-SSAZZLEASA-N 1 0 386.496 3.090 20 5 GGBDRO CCCN(C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000262564054 1433943795 /nfs/dbraw/zinc/94/37/95/1433943795.db2.gz BEJGIPXLSDHKJY-SFHVURJKSA-N 1 0 382.464 3.421 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)CC(C)(C)C[NH3+])cc1 ZINC000262575735 1433944506 /nfs/dbraw/zinc/94/45/06/1433944506.db2.gz FHXLQNNRBGNJFV-UHFFFAOYSA-N 1 0 387.436 3.453 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)NCC[C@H]3CC[NH2+]C3)cc2[N+](=O)[O-])n1 ZINC000262604684 1433945922 /nfs/dbraw/zinc/94/59/22/1433945922.db2.gz YTPSZBREVOIBNI-GFCCVEGCSA-N 1 0 392.506 3.240 20 5 GGBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000262613082 1433946487 /nfs/dbraw/zinc/94/64/87/1433946487.db2.gz ZDIVERDJLVOODJ-ZBFHGGJFSA-N 1 0 385.468 3.266 20 5 GGBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000262637581 1433947379 /nfs/dbraw/zinc/94/73/79/1433947379.db2.gz QFGXRXCJMQIBFO-JLTOFOAXSA-N 1 0 385.468 3.266 20 5 GGBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000262777460 1433955542 /nfs/dbraw/zinc/95/55/42/1433955542.db2.gz WWXBTSLJIAPILI-KYHPRHEASA-N 1 0 388.512 3.419 20 5 GGBDRO COc1cc(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000263677189 1434019453 /nfs/dbraw/zinc/01/94/53/1434019453.db2.gz GFTWMKRJYCXQNK-INIZCTEOSA-N 1 0 375.469 3.188 20 5 GGBDRO COc1cc(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000263677190 1434019464 /nfs/dbraw/zinc/01/94/64/1434019464.db2.gz GFTWMKRJYCXQNK-MRXNPFEDSA-N 1 0 375.469 3.188 20 5 GGBDRO COc1cc(C[NH2+]Cc2ccccc2Cn2ccnc2)c([N+](=O)[O-])cc1OC ZINC000263692473 1434021750 /nfs/dbraw/zinc/02/17/50/1434021750.db2.gz PHWWGQPSHCBXKB-UHFFFAOYSA-N 1 0 382.420 3.147 20 5 GGBDRO COCCC[NH+]1CCC(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000263775333 1434032327 /nfs/dbraw/zinc/03/23/27/1434032327.db2.gz NQENVSITZVGURC-UHFFFAOYSA-N 1 0 377.466 3.040 20 5 GGBDRO C[C@H]1C[NH+](CC2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000263848815 1434041409 /nfs/dbraw/zinc/04/14/09/1434041409.db2.gz YBMVMJBDSJIVIM-KBPBESRZSA-N 1 0 395.887 3.210 20 5 GGBDRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000263910764 1434048248 /nfs/dbraw/zinc/04/82/48/1434048248.db2.gz LZDHDBRNVPFRAW-UHFFFAOYSA-N 1 0 394.435 3.230 20 5 GGBDRO Cc1nn(CCC(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c(C)c1[N+](=O)[O-] ZINC000263973313 1434055750 /nfs/dbraw/zinc/05/57/50/1434055750.db2.gz IKMQBQZRVXYNTG-UHFFFAOYSA-N 1 0 385.468 3.075 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1SC ZINC000264071416 1434069033 /nfs/dbraw/zinc/06/90/33/1434069033.db2.gz DYIAOICJOKEPLL-AWEZNQCLSA-N 1 0 395.506 3.420 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000264139436 1434075013 /nfs/dbraw/zinc/07/50/13/1434075013.db2.gz JSBMRKKFEQAFLP-NVXWUHKLSA-N 1 0 397.479 3.329 20 5 GGBDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000264326889 1434097642 /nfs/dbraw/zinc/09/76/42/1434097642.db2.gz RRNIHWVVHXBQGW-UHFFFAOYSA-N 1 0 382.848 3.015 20 5 GGBDRO CCCO[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000264448766 1434114176 /nfs/dbraw/zinc/11/41/76/1434114176.db2.gz DDJJCURWUMKQAS-HNNXBMFYSA-N 1 0 379.457 3.213 20 5 GGBDRO CCCO[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000264448767 1434114240 /nfs/dbraw/zinc/11/42/40/1434114240.db2.gz DDJJCURWUMKQAS-OAHLLOKOSA-N 1 0 379.457 3.213 20 5 GGBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264450511 1434114538 /nfs/dbraw/zinc/11/45/38/1434114538.db2.gz GNIWPQWLCGRORS-ZDUSSCGKSA-N 1 0 384.383 3.288 20 5 GGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264546330 1434126461 /nfs/dbraw/zinc/12/64/61/1434126461.db2.gz BXFGWFZRQPIDLT-DZGCQCFKSA-N 1 0 380.876 3.135 20 5 GGBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000264899215 1434163378 /nfs/dbraw/zinc/16/33/78/1434163378.db2.gz LBIYFIHYBRRMBE-UHFFFAOYSA-N 1 0 393.484 3.196 20 5 GGBDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1cc2ccccc2c2cccnc12 ZINC000264955004 1434167680 /nfs/dbraw/zinc/16/76/80/1434167680.db2.gz YNZNJZRXAOWDMD-UHFFFAOYSA-N 1 0 390.531 3.486 20 5 GGBDRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000265180318 1434195104 /nfs/dbraw/zinc/19/51/04/1434195104.db2.gz MYZTVRRFPACBMS-HUUCEWRRSA-N 1 0 388.493 3.455 20 5 GGBDRO CC[NH+]1CCN(CCC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000265314885 1434217214 /nfs/dbraw/zinc/21/72/14/1434217214.db2.gz JMYAALPWOUUQSR-UHFFFAOYSA-N 1 0 398.463 3.353 20 5 GGBDRO CC(C)n1c(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nnc1C1CC[NH2+]CC1 ZINC000265503671 1434240230 /nfs/dbraw/zinc/24/02/30/1434240230.db2.gz YIZMXIGFVGVBIK-UHFFFAOYSA-N 1 0 392.441 3.294 20 5 GGBDRO O=[N+]([O-])c1cnc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c(Cl)c1 ZINC000265555354 1434245342 /nfs/dbraw/zinc/24/53/42/1434245342.db2.gz REINMSCDMMIAMY-UHFFFAOYSA-N 1 0 376.844 3.212 20 5 GGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c2ccncc21 ZINC000265755990 1434262871 /nfs/dbraw/zinc/26/28/71/1434262871.db2.gz DUNIYYZUSVDABZ-XLIONFOSSA-N 1 0 392.459 3.438 20 5 GGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c2ccncc21 ZINC000265755987 1434262900 /nfs/dbraw/zinc/26/29/00/1434262900.db2.gz DUNIYYZUSVDABZ-FXAWDEMLSA-N 1 0 392.459 3.438 20 5 GGBDRO CC(C)(C(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000265815010 1434267515 /nfs/dbraw/zinc/26/75/15/1434267515.db2.gz QEELHVBBSBNATM-UHFFFAOYSA-N 1 0 382.464 3.048 20 5 GGBDRO COc1cc(C(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)cc([N+](=O)[O-])c1OC ZINC000265858006 1434273418 /nfs/dbraw/zinc/27/34/18/1434273418.db2.gz CIJZCCLOTXJWMK-INIZCTEOSA-N 1 0 397.431 3.237 20 5 GGBDRO COc1cc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc([N+](=O)[O-])c1OC ZINC000266091481 1434302909 /nfs/dbraw/zinc/30/29/09/1434302909.db2.gz QIJAOOROOQIQEN-UHFFFAOYSA-N 1 0 399.447 3.138 20 5 GGBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000266131250 1434305866 /nfs/dbraw/zinc/30/58/66/1434305866.db2.gz OKZIKOSNBBYSFA-QGZVFWFLSA-N 1 0 386.408 3.393 20 5 GGBDRO CC[NH+]1CCC(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000266146930 1434306910 /nfs/dbraw/zinc/30/69/10/1434306910.db2.gz MNXXQHMONFVZSD-LLVKDONJSA-N 1 0 388.390 3.015 20 5 GGBDRO COc1cc(C[NH2+][C@@H](CCO)C(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000266183388 1434309128 /nfs/dbraw/zinc/30/91/28/1434309128.db2.gz WEKUMTHGLHAOBF-LBPRGKRZSA-N 1 0 380.363 3.041 20 5 GGBDRO COc1cc(C[NH2+][C@H](CCO)C(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000266183385 1434309131 /nfs/dbraw/zinc/30/91/31/1434309131.db2.gz WEKUMTHGLHAOBF-GFCCVEGCSA-N 1 0 380.363 3.041 20 5 GGBDRO COc1cc(C[NH2+]CC(C)(C)C[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000266184812 1434309140 /nfs/dbraw/zinc/30/91/40/1434309140.db2.gz WPNIBBVEVXBMKM-LLVKDONJSA-N 1 0 394.390 3.431 20 5 GGBDRO CCC[C@@H](CCO)C[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000266273181 1434315361 /nfs/dbraw/zinc/31/53/61/1434315361.db2.gz CMYTXPGAYBTRNQ-LBPRGKRZSA-N 1 0 394.390 3.433 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H]1CCOC1 ZINC000266280043 1434315865 /nfs/dbraw/zinc/31/58/65/1434315865.db2.gz FYNUQMXHSBVLDB-DYEKYZERSA-N 1 0 390.465 3.060 20 5 GGBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000266295718 1434317284 /nfs/dbraw/zinc/31/72/84/1434317284.db2.gz HYCPYQUDAKEAFT-CQSZACIVSA-N 1 0 383.876 3.207 20 5 GGBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266355043 1434323898 /nfs/dbraw/zinc/32/38/98/1434323898.db2.gz JEVWYHXFKXQMLN-UHFFFAOYSA-N 1 0 397.479 3.019 20 5 GGBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266537612 1434347636 /nfs/dbraw/zinc/34/76/36/1434347636.db2.gz JVSWEMPIHZJMED-LJQANCHMSA-N 1 0 396.491 3.301 20 5 GGBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000267019843 1434399384 /nfs/dbraw/zinc/39/93/84/1434399384.db2.gz CADKZKMGVGVYHU-ZDUSSCGKSA-N 1 0 395.419 3.197 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C[NH+](C)C)ccn2)cc1SC ZINC000267266617 1434417935 /nfs/dbraw/zinc/41/79/35/1434417935.db2.gz PJISNRMXKPJXET-UHFFFAOYSA-N 1 0 376.438 3.034 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000267298740 1434420493 /nfs/dbraw/zinc/42/04/93/1434420493.db2.gz UCRSLNACCKOYGY-IIBYNOLFSA-N 1 0 397.475 3.462 20 5 GGBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000267458151 1434435823 /nfs/dbraw/zinc/43/58/23/1434435823.db2.gz QORVUXPQKAOUHE-QGZVFWFLSA-N 1 0 382.464 3.161 20 5 GGBDRO COc1cc(C[NH2+]CC2(C)CCOCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000267786753 1434464684 /nfs/dbraw/zinc/46/46/84/1434464684.db2.gz DYLINKOBGGJGFE-UHFFFAOYSA-N 1 0 392.374 3.451 20 5 GGBDRO CC[C@@H](CCO)C[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000268005150 1434486275 /nfs/dbraw/zinc/48/62/75/1434486275.db2.gz CGWQWMOBHKPGDD-NSHDSACASA-N 1 0 380.363 3.043 20 5 GGBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268105002 1434494817 /nfs/dbraw/zinc/49/48/17/1434494817.db2.gz FNGWPXDTTYEYHC-UHFFFAOYSA-N 1 0 380.832 3.115 20 5 GGBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC([NH+]2CCCCC2)CC1 ZINC000268186451 1434500549 /nfs/dbraw/zinc/50/05/49/1434500549.db2.gz VZERMHFYTPLLEE-UHFFFAOYSA-N 1 0 380.876 3.408 20 5 GGBDRO Cc1c(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)cccc1[N+](=O)[O-] ZINC000268723494 1434550196 /nfs/dbraw/zinc/55/01/96/1434550196.db2.gz JUKMYERLROBZHX-UHFFFAOYSA-N 1 0 383.452 3.081 20 5 GGBDRO CC[C@@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000268780796 1434556480 /nfs/dbraw/zinc/55/64/80/1434556480.db2.gz AHHWIYLSBWATFL-HXUWFJFHSA-N 1 0 383.448 3.308 20 5 GGBDRO Cc1c([C@H](C)[NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000268819175 1434560926 /nfs/dbraw/zinc/56/09/26/1434560926.db2.gz REDITCOWAZINQS-INIZCTEOSA-N 1 0 383.448 3.226 20 5 GGBDRO COc1cccc(OC)c1OC[C@H](O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000268831543 1434562301 /nfs/dbraw/zinc/56/23/01/1434562301.db2.gz KNNXFXRSVAWMPB-GDBMZVCRSA-N 1 0 390.436 3.011 20 5 GGBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(C(=O)N3CCN(C)CC3)cc2)cccc1[N+](=O)[O-] ZINC000268834250 1434562622 /nfs/dbraw/zinc/56/26/22/1434562622.db2.gz RVUAYNAFVVLLEG-KRWDZBQOSA-N 1 0 396.491 3.142 20 5 GGBDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000268920948 1434571294 /nfs/dbraw/zinc/57/12/94/1434571294.db2.gz URFOSIHMKBOETN-LIRRHRJNSA-N 1 0 380.448 3.392 20 5 GGBDRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000268926647 1434571826 /nfs/dbraw/zinc/57/18/26/1434571826.db2.gz LHQAILVSDNDOPG-CQSZACIVSA-N 1 0 387.436 3.161 20 5 GGBDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268938060 1434572943 /nfs/dbraw/zinc/57/29/43/1434572943.db2.gz ZGOOPBMBQCQLOV-KUHUBIRLSA-N 1 0 380.448 3.392 20 5 GGBDRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cc1 ZINC000268952180 1434574651 /nfs/dbraw/zinc/57/46/51/1434574651.db2.gz SLMGNZUERLINRQ-AWEZNQCLSA-N 1 0 377.466 3.250 20 5 GGBDRO COc1ccc(NC(=O)C[C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000268972620 1434577462 /nfs/dbraw/zinc/57/74/62/1434577462.db2.gz ZGUIEVKLYQIJGI-AWEZNQCLSA-N 1 0 387.436 3.161 20 5 GGBDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000268972622 1434577487 /nfs/dbraw/zinc/57/74/87/1434577487.db2.gz ZGUIEVKLYQIJGI-CQSZACIVSA-N 1 0 387.436 3.161 20 5 GGBDRO C[C@@H](NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000269199415 1434606033 /nfs/dbraw/zinc/60/60/33/1434606033.db2.gz MHBZICLURPNYNK-VYDXJSESSA-N 1 0 397.479 3.281 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000269199419 1434606307 /nfs/dbraw/zinc/60/63/07/1434606307.db2.gz MHBZICLURPNYNK-ZOBUZTSGSA-N 1 0 397.479 3.281 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000269272722 1434616324 /nfs/dbraw/zinc/61/63/24/1434616324.db2.gz NCWJMGIGZDAYNT-SCLBCKFNSA-N 1 0 385.420 3.205 20 5 GGBDRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])nc2)C1 ZINC000269418769 1434642615 /nfs/dbraw/zinc/64/26/15/1434642615.db2.gz JTWDOQOIFSYFFU-CYBMUJFWSA-N 1 0 389.843 3.036 20 5 GGBDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)nc2)C1 ZINC000269421877 1434642901 /nfs/dbraw/zinc/64/29/01/1434642901.db2.gz LDKFXMVIXDETHI-AWEZNQCLSA-N 1 0 389.843 3.036 20 5 GGBDRO CC(C)c1n[nH]c(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000269434141 1434645293 /nfs/dbraw/zinc/64/52/93/1434645293.db2.gz CMIZPMFKJJIEKR-MRXNPFEDSA-N 1 0 385.468 3.035 20 5 GGBDRO CC(C)c1n[nH]c(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000269458553 1434649165 /nfs/dbraw/zinc/64/91/65/1434649165.db2.gz SCFQZGNNYVODKJ-ZDUSSCGKSA-N 1 0 391.497 3.145 20 5 GGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)c1 ZINC000269623118 1434664443 /nfs/dbraw/zinc/66/44/43/1434664443.db2.gz BNUGFFXCWVCKOK-IBGZPJMESA-N 1 0 393.447 3.293 20 5 GGBDRO COc1cc([C@@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000269692286 1434669563 /nfs/dbraw/zinc/66/95/63/1434669563.db2.gz VKLZTFUJIHJDCE-MLGOLLRUSA-N 1 0 376.409 3.005 20 5 GGBDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000270225020 1434714904 /nfs/dbraw/zinc/71/49/04/1434714904.db2.gz NTIVJBVSAYEWRU-CYBMUJFWSA-N 1 0 378.450 3.248 20 5 GGBDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000270225023 1434714959 /nfs/dbraw/zinc/71/49/59/1434714959.db2.gz NTIVJBVSAYEWRU-ZDUSSCGKSA-N 1 0 378.450 3.248 20 5 GGBDRO COc1cc(C[NH2+]CCC[C@@H](C)CO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000270324238 1434723461 /nfs/dbraw/zinc/72/34/61/1434723461.db2.gz ZBWPRFPBYPXVBY-LLVKDONJSA-N 1 0 380.363 3.043 20 5 GGBDRO CC(C)N1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)CC1 ZINC000270457257 1434734876 /nfs/dbraw/zinc/73/48/76/1434734876.db2.gz KFZXLGDXNZVOBI-UHFFFAOYSA-N 1 0 383.496 3.138 20 5 GGBDRO CN(C(=O)NCCc1cccc([N+](=O)[O-])c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000270596135 1434748761 /nfs/dbraw/zinc/74/87/61/1434748761.db2.gz YYDZRCRNMBDHQI-UHFFFAOYSA-N 1 0 396.491 3.443 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000270775938 1434773623 /nfs/dbraw/zinc/77/36/23/1434773623.db2.gz NCNFXMPOXMCBJH-INIZCTEOSA-N 1 0 393.509 3.034 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000270796789 1434776062 /nfs/dbraw/zinc/77/60/62/1434776062.db2.gz LFTBKTDRNOMHGH-HNNXBMFYSA-N 1 0 395.525 3.280 20 5 GGBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2Cn2cncn2)cc1[N+](=O)[O-] ZINC000271111760 1434802557 /nfs/dbraw/zinc/80/25/57/1434802557.db2.gz HLLSHIAYLFQRNN-OAHLLOKOSA-N 1 0 381.436 3.484 20 5 GGBDRO CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000271112455 1434802608 /nfs/dbraw/zinc/80/26/08/1434802608.db2.gz ADPNTPWFGRHUME-GOSISDBHSA-N 1 0 392.452 3.089 20 5 GGBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(OCCO)c(OC)c2)cc1[N+](=O)[O-] ZINC000271173681 1434806162 /nfs/dbraw/zinc/80/61/62/1434806162.db2.gz UQOASGXHRPSNQA-CQSZACIVSA-N 1 0 390.436 3.224 20 5 GGBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(OCCO)c(OC)c2)cc1[N+](=O)[O-] ZINC000271173676 1434806179 /nfs/dbraw/zinc/80/61/79/1434806179.db2.gz UQOASGXHRPSNQA-AWEZNQCLSA-N 1 0 390.436 3.224 20 5 GGBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000271426720 1434823945 /nfs/dbraw/zinc/82/39/45/1434823945.db2.gz CPQJNWXXUQJELJ-HNNXBMFYSA-N 1 0 389.477 3.028 20 5 GGBDRO CCOc1ccc([C@H](C)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000271497458 1434829691 /nfs/dbraw/zinc/82/96/91/1434829691.db2.gz LLCNVZGWLUNELL-YJLNNSPDSA-N 1 0 377.485 3.022 20 5 GGBDRO CCOc1ccc([C@H](C)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000271497451 1434829731 /nfs/dbraw/zinc/82/97/31/1434829731.db2.gz LLCNVZGWLUNELL-FNHZYXHNSA-N 1 0 377.485 3.022 20 5 GGBDRO COc1cc(C[NH2+]CC(C)(C)CCCO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000271504818 1434830308 /nfs/dbraw/zinc/83/03/08/1434830308.db2.gz LCKYACJANOHKES-UHFFFAOYSA-N 1 0 394.390 3.433 20 5 GGBDRO COc1cc(NCC2([NH+]3CCCCC3)CCOCC2)c([N+](=O)[O-])cc1OC ZINC000271584630 1434836858 /nfs/dbraw/zinc/83/68/58/1434836858.db2.gz FCWUPQFITOVQKS-UHFFFAOYSA-N 1 0 379.457 3.059 20 5 GGBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(N2CCOC2=O)c1 ZINC000271640196 1434841098 /nfs/dbraw/zinc/84/10/98/1434841098.db2.gz ARRMPQCDKJKOQT-CQSZACIVSA-N 1 0 398.419 3.231 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000271777641 1434849859 /nfs/dbraw/zinc/84/98/59/1434849859.db2.gz FHTUUDAFECHOSF-CQSZACIVSA-N 1 0 396.447 3.102 20 5 GGBDRO Cc1c(NC(=O)CC[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000271785861 1434850425 /nfs/dbraw/zinc/85/04/25/1434850425.db2.gz HSQJPKULECSHQB-ASHKIFAZSA-N 1 0 389.477 3.320 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc([S@@](C)=O)cc1 ZINC000271784444 1434850449 /nfs/dbraw/zinc/85/04/49/1434850449.db2.gz HLWAXIUZZWAXKJ-QFDBLCPBSA-N 1 0 375.450 3.010 20 5 GGBDRO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCOC2=O)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000271786854 1434850563 /nfs/dbraw/zinc/85/05/63/1434850563.db2.gz JCNYGLGNTMLAES-ZIAGYGMSSA-N 1 0 398.419 3.229 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000271787303 1434850678 /nfs/dbraw/zinc/85/06/78/1434850678.db2.gz IEHYPYHGZILCSV-PGGUUEOZSA-N 1 0 389.477 3.320 20 5 GGBDRO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000271786848 1434850700 /nfs/dbraw/zinc/85/07/00/1434850700.db2.gz JCNYGLGNTMLAES-KBPBESRZSA-N 1 0 398.419 3.229 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000271803571 1434851687 /nfs/dbraw/zinc/85/16/87/1434851687.db2.gz LTKZNHUENUWMNS-PWFNWSNSSA-N 1 0 389.477 3.320 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC000271829226 1434853281 /nfs/dbraw/zinc/85/32/81/1434853281.db2.gz QLXKIOQKLIPLJP-QFDBLCPBSA-N 1 0 375.450 3.010 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000271848195 1434854561 /nfs/dbraw/zinc/85/45/61/1434854561.db2.gz VZWUKLAJBWEPSF-UONOGXRCSA-N 1 0 398.419 3.229 20 5 GGBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272113540 1434872977 /nfs/dbraw/zinc/87/29/77/1434872977.db2.gz PHWVJYORLPECGR-UHFFFAOYSA-N 1 0 393.390 3.403 20 5 GGBDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272202255 1434877749 /nfs/dbraw/zinc/87/77/49/1434877749.db2.gz YFIPFEDYEORLNE-UHFFFAOYSA-N 1 0 390.390 3.114 20 5 GGBDRO CC(C)c1n[nH]c(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000272214190 1434878554 /nfs/dbraw/zinc/87/85/54/1434878554.db2.gz AUBWZKUYMPIDPR-GDBMZVCRSA-N 1 0 385.468 3.082 20 5 GGBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C2)CC1 ZINC000272318790 1434886999 /nfs/dbraw/zinc/88/69/99/1434886999.db2.gz JZOKBJPEPNSWMI-ZDUSSCGKSA-N 1 0 383.395 3.000 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000272330980 1434887796 /nfs/dbraw/zinc/88/77/96/1434887796.db2.gz VNLNOJXHRFKTOA-ZIAGYGMSSA-N 1 0 385.420 3.205 20 5 GGBDRO COc1cc(C[NH2+]CCCC(C)(C)CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272352000 1434889586 /nfs/dbraw/zinc/88/95/86/1434889586.db2.gz DFENWXUWZQVSIZ-UHFFFAOYSA-N 1 0 376.400 3.136 20 5 GGBDRO COc1cc(C[NH2+]CCc2csc(C)n2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272366167 1434890830 /nfs/dbraw/zinc/89/08/30/1434890830.db2.gz FXVZKSYOLDJAOS-UHFFFAOYSA-N 1 0 387.408 3.345 20 5 GGBDRO COc1cc(C[NH2+]C[C@H](C)Cn2ccnc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272373083 1434891190 /nfs/dbraw/zinc/89/11/90/1434891190.db2.gz GULANYMGCMJZEE-LBPRGKRZSA-N 1 0 398.410 3.178 20 5 GGBDRO COc1cc(C[NH2+]C[C@@H](O)c2ccsc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272381374 1434892244 /nfs/dbraw/zinc/89/22/44/1434892244.db2.gz HRTWSHIYLLIICT-CYBMUJFWSA-N 1 0 388.392 3.132 20 5 GGBDRO C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272386275 1434892768 /nfs/dbraw/zinc/89/27/68/1434892768.db2.gz WCLAUXRZUQNJQE-SJLPKXTDSA-N 1 0 383.448 3.000 20 5 GGBDRO CCC[N@@H+]1CC[C@@H](CNCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000272454662 1434897587 /nfs/dbraw/zinc/89/75/87/1434897587.db2.gz QBZGKJSEFDSLNF-ZDUSSCGKSA-N 1 0 387.427 3.069 20 5 GGBDRO COc1cc(C[NH2+]C[C@@H](CO)c2ccccc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272465986 1434898161 /nfs/dbraw/zinc/89/81/61/1434898161.db2.gz RIQWHNSMUJPHJP-HNNXBMFYSA-N 1 0 396.390 3.113 20 5 GGBDRO CCC[C@H](CCO)C[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272482959 1434899365 /nfs/dbraw/zinc/89/93/65/1434899365.db2.gz SXXKMVPEMZSQFD-GFCCVEGCSA-N 1 0 376.400 3.136 20 5 GGBDRO Cn1ccnc1[C@@H](NC[C@H](c1cccs1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000272587005 1434911409 /nfs/dbraw/zinc/91/14/09/1434911409.db2.gz ZLASKEBDHYXQAQ-AEFFLSMTSA-N 1 0 385.493 3.372 20 5 GGBDRO COc1cc(C[N@@H+]2CCC[C@]2(C)CCCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272598114 1434912976 /nfs/dbraw/zinc/91/29/76/1434912976.db2.gz OGTIXKYQGGTRTL-GOSISDBHSA-N 1 0 388.411 3.374 20 5 GGBDRO COc1ccc(CNC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000272871387 1434937717 /nfs/dbraw/zinc/93/77/17/1434937717.db2.gz WRAHLDFEAPHJRY-ZBFHGGJFSA-N 1 0 390.484 3.056 20 5 GGBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000272942504 1434942977 /nfs/dbraw/zinc/94/29/77/1434942977.db2.gz LFOTVMXFUWNOQN-MWSMCUOVSA-N 1 0 389.477 3.318 20 5 GGBDRO O=C(NC[C@H]1CC[NH2+]C1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000273001908 1434948982 /nfs/dbraw/zinc/94/89/82/1434948982.db2.gz HPBOWSMTVVGEGF-LBPRGKRZSA-N 1 0 375.812 3.380 20 5 GGBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2ncccc12 ZINC000273066080 1434956719 /nfs/dbraw/zinc/95/67/19/1434956719.db2.gz DUVSIMJUCNNEQQ-QGZVFWFLSA-N 1 0 378.432 3.322 20 5 GGBDRO COc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1OC ZINC000273123421 1434963980 /nfs/dbraw/zinc/96/39/80/1434963980.db2.gz HSLJOXFFXMQTSH-CABCVRRESA-N 1 0 390.436 3.011 20 5 GGBDRO O=[N+]([O-])c1cnc(N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC000273153559 1434967059 /nfs/dbraw/zinc/96/70/59/1434967059.db2.gz IJRVMXMWAZNLFD-UHFFFAOYSA-N 1 0 381.358 3.116 20 5 GGBDRO Cn1cc(C[NH2+]C[C@H](O)CCc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000273182452 1434970113 /nfs/dbraw/zinc/97/01/13/1434970113.db2.gz XVFIBRQDIDNNIK-HXUWFJFHSA-N 1 0 380.448 3.079 20 5 GGBDRO COCC[N@H+](C)CCCC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273356584 1434982959 /nfs/dbraw/zinc/98/29/59/1434982959.db2.gz DNMWEUWZYWMELM-UHFFFAOYSA-N 1 0 396.463 3.336 20 5 GGBDRO COc1ccc(-c2nc(-c3ccccc3OCC[NH+](C)C)no2)cc1[N+](=O)[O-] ZINC000273769950 1435012556 /nfs/dbraw/zinc/01/25/56/1435012556.db2.gz DQOFIYKZQBWGJQ-UHFFFAOYSA-N 1 0 384.392 3.261 20 5 GGBDRO C[NH+](C)CCOc1ccccc1-c1noc(COc2ccc([N+](=O)[O-])cc2)n1 ZINC000273809428 1435016720 /nfs/dbraw/zinc/01/67/20/1435016720.db2.gz IIBYGJKZKFNIJM-UHFFFAOYSA-N 1 0 384.392 3.164 20 5 GGBDRO CC(C)(C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000273895102 1435026230 /nfs/dbraw/zinc/02/62/30/1435026230.db2.gz WKZDJHIJXLVFQY-HNNXBMFYSA-N 1 0 377.460 3.346 20 5 GGBDRO O=[N+]([O-])c1cc(-c2nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)cc(C(F)(F)F)c1 ZINC000274084295 1435042331 /nfs/dbraw/zinc/04/23/31/1435042331.db2.gz TVLLVKQASNHFOB-YPMHNXCESA-N 1 0 384.314 3.199 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)c1 ZINC000274361177 1435065197 /nfs/dbraw/zinc/06/51/97/1435065197.db2.gz VSKLTUNUWVTJRR-UHFFFAOYSA-N 1 0 384.436 3.354 20 5 GGBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H](CCO)c1ccccc1 ZINC000275462068 1435140932 /nfs/dbraw/zinc/14/09/32/1435140932.db2.gz KHEUAPHHRFHUHF-SFHVURJKSA-N 1 0 375.400 3.118 20 5 GGBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H](CCO)c1ccccc1 ZINC000275462058 1435140937 /nfs/dbraw/zinc/14/09/37/1435140937.db2.gz KHEUAPHHRFHUHF-GOSISDBHSA-N 1 0 375.400 3.118 20 5 GGBDRO Cc1c(C(=O)Nc2ccccc2CC[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000275570368 1435149197 /nfs/dbraw/zinc/14/91/97/1435149197.db2.gz CLDCSCSLIGLIIV-UHFFFAOYSA-N 1 0 386.408 3.476 20 5 GGBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000275666563 1435158154 /nfs/dbraw/zinc/15/81/54/1435158154.db2.gz NTESRIYRBVUXPS-UHFFFAOYSA-N 1 0 393.487 3.059 20 5 GGBDRO C[NH+](C)[C@@]1(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCSC1 ZINC000275788408 1435169553 /nfs/dbraw/zinc/16/95/53/1435169553.db2.gz NTIHGMFQIJKHPF-OAQYLSRUSA-N 1 0 381.501 3.261 20 5 GGBDRO O=[N+]([O-])c1ccc2c(c1NCc1ccc(C[NH+]3CCC(O)CC3)cc1)CCN2 ZINC000276145724 1435193682 /nfs/dbraw/zinc/19/36/82/1435193682.db2.gz IMBVIWICNVKUIC-UHFFFAOYSA-N 1 0 382.464 3.132 20 5 GGBDRO CCOC(CC[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])OCC ZINC000276176407 1435195733 /nfs/dbraw/zinc/19/57/33/1435195733.db2.gz KBLLFJKXFNWFRX-UHFFFAOYSA-N 1 0 392.399 3.126 20 5 GGBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1SCCOC ZINC000276374572 1435207735 /nfs/dbraw/zinc/20/77/35/1435207735.db2.gz CJQPROUDWUVQSI-UHFFFAOYSA-N 1 0 395.525 3.281 20 5 GGBDRO CCOC(=O)c1csc(CC[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000276512811 1435215157 /nfs/dbraw/zinc/21/51/57/1435215157.db2.gz KWLKREXJWQQMFA-ZDUSSCGKSA-N 1 0 377.466 3.381 20 5 GGBDRO CCOc1cc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)ccc1[N+](=O)[O-] ZINC000276886966 1435240210 /nfs/dbraw/zinc/24/02/10/1435240210.db2.gz JPSBXWHGBKDPHJ-UHFFFAOYSA-N 1 0 385.468 3.301 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000277032347 1435254042 /nfs/dbraw/zinc/25/40/42/1435254042.db2.gz GPORBGKJTUDRKM-UHFFFAOYSA-N 1 0 383.448 3.340 20 5 GGBDRO Cc1noc(C[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)c2ccccc2)n1 ZINC000277215890 1435279573 /nfs/dbraw/zinc/27/95/73/1435279573.db2.gz NOXHHLKTXSCWBK-SFHVURJKSA-N 1 0 395.419 3.107 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000277218882 1435280223 /nfs/dbraw/zinc/28/02/23/1435280223.db2.gz WFXUWHJZCOQCNP-UHFFFAOYSA-N 1 0 384.436 3.362 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000277218873 1435280296 /nfs/dbraw/zinc/28/02/96/1435280296.db2.gz WFSZWCTUSMTTMH-UHFFFAOYSA-N 1 0 399.447 3.060 20 5 GGBDRO Cc1noc(C[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 ZINC000277229715 1435282049 /nfs/dbraw/zinc/28/20/49/1435282049.db2.gz GPHSVRBTMXWJGP-UGSOOPFHSA-N 1 0 395.419 3.187 20 5 GGBDRO CC1CCN(c2ccc(C(=O)N3CCC[C@H]([NH+](C)C)CC3)cc2[N+](=O)[O-])CC1 ZINC000277278048 1435288433 /nfs/dbraw/zinc/28/84/33/1435288433.db2.gz NBUAAZHMWYEYRZ-SFHVURJKSA-N 1 0 388.512 3.387 20 5 GGBDRO C[NH+](C)[C@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000277280148 1435288898 /nfs/dbraw/zinc/28/88/98/1435288898.db2.gz NHNFUYGGLUSZGU-KRWDZBQOSA-N 1 0 377.488 3.097 20 5 GGBDRO Cc1noc(C[C@H]([NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000277432735 1435304497 /nfs/dbraw/zinc/30/44/97/1435304497.db2.gz QDQFASZJCRIRMR-ACJLOTCBSA-N 1 0 395.419 3.187 20 5 GGBDRO Cn1cc(C[NH2+]CCOCC(F)(F)C(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000277515973 1435309726 /nfs/dbraw/zinc/30/97/26/1435309726.db2.gz RXDHPDBYMGTQIV-UHFFFAOYSA-N 1 0 390.337 3.002 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000277559983 1435312825 /nfs/dbraw/zinc/31/28/25/1435312825.db2.gz JWCJPLAONBIVKM-IEBWSBKVSA-N 1 0 381.432 3.360 20 5 GGBDRO O=[N+]([O-])c1cc(C[NH+]2CCC(CO)(Cc3ccccc3)CC2)c2c(c1)COCO2 ZINC000277704556 1435323339 /nfs/dbraw/zinc/32/33/39/1435323339.db2.gz HYZLSZYAOUHHCI-UHFFFAOYSA-N 1 0 398.459 3.279 20 5 GGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000277801028 1435331821 /nfs/dbraw/zinc/33/18/21/1435331821.db2.gz VPHGGEOXQUWWOJ-KRWDZBQOSA-N 1 0 392.500 3.016 20 5 GGBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c1F ZINC000277814421 1435332993 /nfs/dbraw/zinc/33/29/93/1435332993.db2.gz WNSAAXBYDZNBBO-UHFFFAOYSA-N 1 0 375.400 3.372 20 5 GGBDRO CCNC(=O)COc1cccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000278178644 1435367010 /nfs/dbraw/zinc/36/70/10/1435367010.db2.gz DGJSIGJDLXVCAF-HXUWFJFHSA-N 1 0 383.448 3.277 20 5 GGBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC1CC[NH+](Cc2ccncc2)CC1 ZINC000278182728 1435367357 /nfs/dbraw/zinc/36/73/57/1435367357.db2.gz DFSKNZJFBHJDOX-UHFFFAOYSA-N 1 0 381.358 3.480 20 5 GGBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2(c3cccc(C(F)(F)F)c3)CCOCC2)c1 ZINC000278249960 1435373455 /nfs/dbraw/zinc/37/34/55/1435373455.db2.gz HGLXXOZDVVHFLL-UHFFFAOYSA-N 1 0 384.358 3.106 20 5 GGBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000278343108 1435381843 /nfs/dbraw/zinc/38/18/43/1435381843.db2.gz JELQJLSMQYQEEU-AWEZNQCLSA-N 1 0 396.369 3.187 20 5 GGBDRO COc1cc(C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c([N+](=O)[O-])cc1OC ZINC000278691362 1435414533 /nfs/dbraw/zinc/41/45/33/1435414533.db2.gz IXOTXMQJYHTKCH-OAHLLOKOSA-N 1 0 384.791 3.228 20 5 GGBDRO COCCN(C)c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cn1 ZINC000278757869 1435420666 /nfs/dbraw/zinc/42/06/66/1435420666.db2.gz NTTJZDOSZNMYSI-UHFFFAOYSA-N 1 0 398.385 3.381 20 5 GGBDRO Cc1cc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000278760629 1435421218 /nfs/dbraw/zinc/42/12/18/1435421218.db2.gz NLTJHFBJSCHOGX-INIZCTEOSA-N 1 0 397.479 3.050 20 5 GGBDRO Cc1cc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000278760631 1435421301 /nfs/dbraw/zinc/42/13/01/1435421301.db2.gz NLTJHFBJSCHOGX-MRXNPFEDSA-N 1 0 397.479 3.050 20 5 GGBDRO C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1=CC[N@H+](C)CC1 ZINC000278767723 1435421684 /nfs/dbraw/zinc/42/16/84/1435421684.db2.gz UGNZEWYRUVVPSI-LLVKDONJSA-N 1 0 386.374 3.063 20 5 GGBDRO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+](C)CCCCCO ZINC000278776904 1435422733 /nfs/dbraw/zinc/42/27/33/1435422733.db2.gz CTVZOLGKXBMRMY-CYBMUJFWSA-N 1 0 392.481 3.140 20 5 GGBDRO O=C1[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCN1Cc1ccccn1 ZINC000278863147 1435432563 /nfs/dbraw/zinc/43/25/63/1435432563.db2.gz WLPBXHLBNVSPDV-VQTJNVASSA-N 1 0 380.448 3.148 20 5 GGBDRO CCn1nccc1C1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000279098359 1435460081 /nfs/dbraw/zinc/46/00/81/1435460081.db2.gz QKSPODNSUURGLQ-UHFFFAOYSA-N 1 0 385.468 3.328 20 5 GGBDRO CC1(C)C[C@H]([NH2+]Cc2cccnc2N2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000279102377 1435460510 /nfs/dbraw/zinc/46/05/10/1435460510.db2.gz OJVCZXZPSZIDOL-IBGZPJMESA-N 1 0 382.464 3.339 20 5 GGBDRO CN(CC1CC[NH+](C)CC1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279102867 1435460673 /nfs/dbraw/zinc/46/06/73/1435460673.db2.gz VELWHIHLRXKWRX-UHFFFAOYSA-N 1 0 388.390 3.097 20 5 GGBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000279139809 1435464394 /nfs/dbraw/zinc/46/43/94/1435464394.db2.gz RUJHOWZZPBYYQR-VQTJNVASSA-N 1 0 394.475 3.493 20 5 GGBDRO C[N@H+]1C[C@H]2CN(C(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)C[C@H]2C1 ZINC000279188595 1435468949 /nfs/dbraw/zinc/46/89/49/1435468949.db2.gz JSFQQHCBRFZPBD-TXEJJXNPSA-N 1 0 383.398 3.005 20 5 GGBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000279291821 1435482437 /nfs/dbraw/zinc/48/24/37/1435482437.db2.gz YHHDFDFTZHTPTB-LBPRGKRZSA-N 1 0 392.456 3.020 20 5 GGBDRO O=C(C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000279319485 1435486176 /nfs/dbraw/zinc/48/61/76/1435486176.db2.gz SCRMCCHTIRBQCM-JLZZUVOBSA-N 1 0 379.844 3.124 20 5 GGBDRO C[C@@H]1OCC[C@]12C[N@H+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)C[C@@H](C)O2 ZINC000279787397 1435543080 /nfs/dbraw/zinc/54/30/80/1435543080.db2.gz OALHQKCJIIKVJM-SIFCLUCFSA-N 1 0 387.436 3.061 20 5 GGBDRO COCC1(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC[NH2+]CC1 ZINC000279899124 1435559788 /nfs/dbraw/zinc/55/97/88/1435559788.db2.gz JHOFIMWYRJUIQC-UHFFFAOYSA-N 1 0 385.420 3.342 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](CO)[C@H]3CCOC3)o2)c(Cl)c1 ZINC000280340841 1435640635 /nfs/dbraw/zinc/64/06/35/1435640635.db2.gz RFQIYKOPQFCHSM-QWHCGFSZSA-N 1 0 380.828 3.243 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)NCC[N@H+]2CC=CCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000280370870 1435645999 /nfs/dbraw/zinc/64/59/99/1435645999.db2.gz YXHJNYFICMLKCN-INIZCTEOSA-N 1 0 395.463 3.155 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)NCC[N@H+]2CC=CCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000280370872 1435646301 /nfs/dbraw/zinc/64/63/01/1435646301.db2.gz YXHJNYFICMLKCN-MRXNPFEDSA-N 1 0 395.463 3.155 20 5 GGBDRO CC1(C)C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@]2(CCOC2)O1 ZINC000280524069 1435673249 /nfs/dbraw/zinc/67/32/49/1435673249.db2.gz OKWFRNSBUOENPZ-FQEVSTJZSA-N 1 0 387.436 3.062 20 5 GGBDRO COc1cc(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000280617905 1435690563 /nfs/dbraw/zinc/69/05/63/1435690563.db2.gz BITMOMOGBVIMNE-OAHLLOKOSA-N 1 0 391.468 3.139 20 5 GGBDRO Cc1ccc([C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@H](C)S(C)(=O)=O)cc1 ZINC000280689883 1435704370 /nfs/dbraw/zinc/70/43/70/1435704370.db2.gz BBJWLMNQWODLDQ-HNAYVOBHSA-N 1 0 376.478 3.210 20 5 GGBDRO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c2c(c1)COCO2 ZINC000280716071 1435708342 /nfs/dbraw/zinc/70/83/42/1435708342.db2.gz BTZITNDWSLXJLP-OTWHNJEPSA-N 1 0 376.453 3.367 20 5 GGBDRO Cc1ccc([C@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])[C@H](C)S(C)(=O)=O)cc1 ZINC000280818980 1435725755 /nfs/dbraw/zinc/72/57/55/1435725755.db2.gz NANLKICSBSQPFV-HNAYVOBHSA-N 1 0 392.477 3.046 20 5 GGBDRO O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000280901019 1435738715 /nfs/dbraw/zinc/73/87/15/1435738715.db2.gz HNMOECWKIUZFNM-QGZVFWFLSA-N 1 0 380.448 3.357 20 5 GGBDRO O=c1[nH]c(NCc2ccccc2C[NH+]2CCCC2)nc2ccc([N+](=O)[O-])cc21 ZINC000280957165 1435747643 /nfs/dbraw/zinc/74/76/43/1435747643.db2.gz KJTHKCGUHRIYQJ-UHFFFAOYSA-N 1 0 379.420 3.452 20 5 GGBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000281561061 1435813506 /nfs/dbraw/zinc/81/35/06/1435813506.db2.gz YFANBBRJZMLRNU-YEAFQPLXSA-N 1 0 375.469 3.183 20 5 GGBDRO [NH3+]CC[C@H]1CCCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000281620952 1435815986 /nfs/dbraw/zinc/81/59/86/1435815986.db2.gz CDQYOFJNJGJFGT-GFCCVEGCSA-N 1 0 388.390 3.003 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000281744066 1435820425 /nfs/dbraw/zinc/82/04/25/1435820425.db2.gz YEUWALFWHCNSJS-UHFFFAOYSA-N 1 0 375.469 3.195 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000281989715 1435829962 /nfs/dbraw/zinc/82/99/62/1435829962.db2.gz PMGYQYZMIAMGRM-UHFFFAOYSA-N 1 0 394.472 3.004 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000282032795 1435831860 /nfs/dbraw/zinc/83/18/60/1435831860.db2.gz TWYUARQRCLYIPQ-HNNXBMFYSA-N 1 0 376.457 3.189 20 5 GGBDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000282402394 1435845902 /nfs/dbraw/zinc/84/59/02/1435845902.db2.gz FKOFHKAJJCKTQZ-IRXDYDNUSA-N 1 0 393.484 3.253 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000282715058 1435857611 /nfs/dbraw/zinc/85/76/11/1435857611.db2.gz VHSZRHOUXFFSSC-UHFFFAOYSA-N 1 0 397.475 3.430 20 5 GGBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000282749659 1435858921 /nfs/dbraw/zinc/85/89/21/1435858921.db2.gz YTEPRHHMMASILX-GOSISDBHSA-N 1 0 386.452 3.209 20 5 GGBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000282749678 1435858932 /nfs/dbraw/zinc/85/89/32/1435858932.db2.gz YTEPRHHMMASILX-SFHVURJKSA-N 1 0 386.452 3.209 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000282995872 1435869452 /nfs/dbraw/zinc/86/94/52/1435869452.db2.gz COVDBTZTPAQYCN-CABCVRRESA-N 1 0 375.469 3.376 20 5 GGBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000283136968 1435876352 /nfs/dbraw/zinc/87/63/52/1435876352.db2.gz VAFDVHMOCOQIQK-UHFFFAOYSA-N 1 0 380.448 3.261 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000283363735 1435886126 /nfs/dbraw/zinc/88/61/26/1435886126.db2.gz DKIUKPXOTFNSSC-SFHVURJKSA-N 1 0 375.400 3.165 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000283595907 1435897068 /nfs/dbraw/zinc/89/70/68/1435897068.db2.gz XVQXAQHMYFCTPX-UHFFFAOYSA-N 1 0 375.469 3.378 20 5 GGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000283772848 1435921007 /nfs/dbraw/zinc/92/10/07/1435921007.db2.gz PCHMPUIWKKDOGZ-UHFFFAOYSA-N 1 0 383.448 3.366 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000283890841 1435946005 /nfs/dbraw/zinc/94/60/05/1435946005.db2.gz IUPHKLVLIHQNRF-KGLIPLIRSA-N 1 0 378.448 3.043 20 5 GGBDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284252074 1436007528 /nfs/dbraw/zinc/00/75/28/1436007528.db2.gz RIGZZQGJKUWOKF-QWHCGFSZSA-N 1 0 377.466 3.382 20 5 GGBDRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3csc([N+](=O)[O-])c3)cc2)CC1 ZINC000284361515 1436015940 /nfs/dbraw/zinc/01/59/40/1436015940.db2.gz DUPKEBHPYNCTFH-UHFFFAOYSA-N 1 0 375.450 3.059 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000284812545 1436052444 /nfs/dbraw/zinc/05/24/44/1436052444.db2.gz LMIGDJMUDUJCSG-AVBTWRTFSA-N 1 0 397.479 3.182 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[NH2+]CC[C@@H]43)c(Cl)nn2)cc1 ZINC001164412218 718877295 /nfs/dbraw/zinc/87/72/95/718877295.db2.gz ULYSWJXCJFWIMH-ZFWWWQNUSA-N 1 0 395.797 3.191 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[NH2+]CC[C@H]43)c(Cl)nn2)cc1 ZINC001164412211 718877356 /nfs/dbraw/zinc/87/73/56/718877356.db2.gz ULYSWJXCJFWIMH-DZGCQCFKSA-N 1 0 395.797 3.191 20 5 GGBDRO O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CC[C@H]3[NH2+]CC[C@@H]32)c(Cl)nn1 ZINC001164411993 718877575 /nfs/dbraw/zinc/87/75/75/718877575.db2.gz SQARHMMTHOPZDE-DOMZBBRYSA-N 1 0 395.797 3.191 20 5 GGBDRO O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3[NH2+]CC[C@H]32)c(Cl)nn1 ZINC001164411995 718877722 /nfs/dbraw/zinc/87/77/22/718877722.db2.gz SQARHMMTHOPZDE-SWLSCSKDSA-N 1 0 395.797 3.191 20 5 GGBDRO O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CCC[C@H]3[NH2+]C[C@@H]32)c(Cl)nn1 ZINC001164450514 719003169 /nfs/dbraw/zinc/00/31/69/719003169.db2.gz XROMCCUMCHETCY-DOMZBBRYSA-N 1 0 395.797 3.191 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CCC[C@H]4[NH2+]C[C@H]43)c(Cl)nn2)cc1 ZINC001164448873 719003258 /nfs/dbraw/zinc/00/32/58/719003258.db2.gz JPSJPWBTRALYMB-UKRRQHHQSA-N 1 0 395.797 3.191 20 5 GGBDRO O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CCC[C@@H]3[NH2+]C[C@@H]32)c(Cl)nn1 ZINC001164450517 719003272 /nfs/dbraw/zinc/00/32/72/719003272.db2.gz XROMCCUMCHETCY-WFASDCNBSA-N 1 0 395.797 3.191 20 5 GGBDRO CCOc1nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ccc1[N+](=O)[O-] ZINC001164631624 719089804 /nfs/dbraw/zinc/08/98/04/719089804.db2.gz YRVBSZSXIAPZAD-PKOBYXMFSA-N 1 0 382.464 3.489 20 5 GGBDRO CCOc1nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ccc1[N+](=O)[O-] ZINC001164631620 719089874 /nfs/dbraw/zinc/08/98/74/719089874.db2.gz YRVBSZSXIAPZAD-MJGOQNOKSA-N 1 0 382.464 3.489 20 5 GGBDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(C)ncc2[N+](=O)[O-])CC3)cs1 ZINC001164693780 719807895 /nfs/dbraw/zinc/80/78/95/719807895.db2.gz REVOHYIBKFHCDP-UHFFFAOYSA-N 1 0 388.497 3.093 20 5 GGBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)c(C)cc1[N+](=O)[O-])C2 ZINC001164809201 720097833 /nfs/dbraw/zinc/09/78/33/720097833.db2.gz IYBMYJQJFIXSRK-KXBFYZLASA-N 1 0 394.903 3.136 20 5 GGBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)c(C)cc1[N+](=O)[O-])C2 ZINC001164809200 720098289 /nfs/dbraw/zinc/09/82/89/720098289.db2.gz IYBMYJQJFIXSRK-HNAYVOBHSA-N 1 0 394.903 3.136 20 5 GGBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc([N+](=O)[O-])c3ccccc31)C2 ZINC001164812510 720105859 /nfs/dbraw/zinc/10/58/59/720105859.db2.gz OYDIIUBWNXPGFX-JTSKRJEESA-N 1 0 396.491 3.328 20 5 GGBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc3cccc([N+](=O)[O-])c3n1)C2 ZINC001164812527 720108827 /nfs/dbraw/zinc/10/88/27/720108827.db2.gz PBPRUDTXPUYGAE-PGRDOPGGSA-N 1 0 396.491 3.328 20 5 GGBDRO O=[N+]([O-])c1ccc2ccc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc2c1 ZINC001164725423 720365751 /nfs/dbraw/zinc/36/57/51/720365751.db2.gz NHXFDWPAWTYJCB-WOJBJXKFSA-N 1 0 375.432 3.391 20 5 GGBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c2ccccc21 ZINC001164726981 720374369 /nfs/dbraw/zinc/37/43/69/720374369.db2.gz QAOUONJCMRSQMT-RBUKOAKNSA-N 1 0 375.432 3.391 20 5 GGBDRO O=[N+]([O-])c1cccc2ccc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc21 ZINC001164727771 720376309 /nfs/dbraw/zinc/37/63/09/720376309.db2.gz RJHLVMZPYVMZOB-ROUUACIJSA-N 1 0 375.432 3.391 20 5 GGBDRO O=[N+]([O-])c1cccc2nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)ccc21 ZINC001164729756 720376629 /nfs/dbraw/zinc/37/66/29/720376629.db2.gz WBTDAWBZKYCELH-PMACEKPBSA-N 1 0 375.432 3.391 20 5 GGBDRO O=[N+]([O-])c1cccc2nc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)ccc21 ZINC001164729758 720377132 /nfs/dbraw/zinc/37/71/32/720377132.db2.gz WBTDAWBZKYCELH-VQTJNVASSA-N 1 0 375.432 3.391 20 5 GGBDRO O=[N+]([O-])c1cccc2nc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)ccc21 ZINC001164729757 720377419 /nfs/dbraw/zinc/37/74/19/720377419.db2.gz WBTDAWBZKYCELH-UXHICEINSA-N 1 0 375.432 3.391 20 5 GGBDRO CC(C)Oc1nc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)ccc1[N+](=O)[O-] ZINC001164729389 720453611 /nfs/dbraw/zinc/45/36/11/720453611.db2.gz HIVLYFZJJWIOTK-IAGOWNOFSA-N 1 0 383.452 3.025 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164839180 720555625 /nfs/dbraw/zinc/55/56/25/720555625.db2.gz PSJJIQSDWPDJKG-IPMKNSEASA-N 1 0 398.511 3.181 20 5 GGBDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc([N+](=O)[O-])ccn1)CC2 ZINC001164840529 720660789 /nfs/dbraw/zinc/66/07/89/720660789.db2.gz NFDHSBJIWLXLHU-IBGZPJMESA-N 1 0 382.464 3.250 20 5 GGBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(Cl)cc([N+](=O)[O-])n1)[C@H]2C ZINC001164860054 720948631 /nfs/dbraw/zinc/94/86/31/720948631.db2.gz PMJPUZUAFTXQHM-LBPRGKRZSA-N 1 0 378.864 3.261 20 5 GGBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc5ccc6cccnc6c5n4)C[C@@H]3C2)cn1 ZINC001164770384 721096420 /nfs/dbraw/zinc/09/64/20/721096420.db2.gz PVQNVGDMNHSFSR-RTWAWAEBSA-N 1 0 398.514 3.475 20 5 GGBDRO Cc1cc(N2CC3(C2)CC[N@H+](CC2CC2)C3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164771310 721299914 /nfs/dbraw/zinc/29/99/14/721299914.db2.gz ZXAQINAZAIBPHX-UHFFFAOYSA-N 1 0 379.464 3.282 20 5 GGBDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc(F)cc1[N+](=O)[O-])CC2 ZINC001164793757 721491896 /nfs/dbraw/zinc/49/18/96/721491896.db2.gz VFHUCGNLZOPUPA-UHFFFAOYSA-N 1 0 385.443 3.405 20 5 GGBDRO O=[N+]([O-])c1cc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164899057 721510760 /nfs/dbraw/zinc/51/07/60/721510760.db2.gz JUHSVVUHHLJTLO-GDBMZVCRSA-N 1 0 392.818 3.124 20 5 GGBDRO O=[N+]([O-])c1cc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164899058 721511200 /nfs/dbraw/zinc/51/12/00/721511200.db2.gz JUHSVVUHHLJTLO-GOEBONIOSA-N 1 0 392.818 3.124 20 5 GGBDRO O=[N+]([O-])c1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)c1 ZINC001164901064 721512078 /nfs/dbraw/zinc/51/20/78/721512078.db2.gz WHNLTSUTKORLOK-GDBMZVCRSA-N 1 0 392.818 3.124 20 5 GGBDRO O=[N+]([O-])c1cc(Cl)cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164905239 721526923 /nfs/dbraw/zinc/52/69/23/721526923.db2.gz HDNTUIXHYNHLTC-ZBFHGGJFSA-N 1 0 392.818 3.124 20 5 GGBDRO O=[N+]([O-])c1ccnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164908336 721584608 /nfs/dbraw/zinc/58/46/08/721584608.db2.gz YKCXZEPDNJRZGF-SFHVURJKSA-N 1 0 389.406 3.123 20 5 GGBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165023997 721800757 /nfs/dbraw/zinc/80/07/57/721800757.db2.gz KPIIEKGOSAEMLG-VDGAXYAQSA-N 1 0 381.480 3.430 20 5 GGBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC001165025855 721804956 /nfs/dbraw/zinc/80/49/56/721804956.db2.gz POPAOAZGCXDZAE-FHLIZLRMSA-N 1 0 385.443 3.261 20 5 GGBDRO Cc1ccnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1[N+](=O)[O-] ZINC001165028799 721805429 /nfs/dbraw/zinc/80/54/29/721805429.db2.gz ZSLRFMBQVABGIC-WDSOQIARSA-N 1 0 381.480 3.430 20 5 GGBDRO Cc1ccnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1[N+](=O)[O-] ZINC001165028796 721805470 /nfs/dbraw/zinc/80/54/70/721805470.db2.gz ZSLRFMBQVABGIC-UHOSZYNNSA-N 1 0 381.480 3.430 20 5 GGBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC001165026900 721808550 /nfs/dbraw/zinc/80/85/50/721808550.db2.gz SDKGJJOZFQGTSR-DKSSEZFCSA-N 1 0 385.443 3.261 20 5 GGBDRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001164923638 721868294 /nfs/dbraw/zinc/86/82/94/721868294.db2.gz JICDLFHWJFXZID-SJORKVTESA-N 1 0 389.887 3.011 20 5 GGBDRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001164923635 721868364 /nfs/dbraw/zinc/86/83/64/721868364.db2.gz JICDLFHWJFXZID-DLBZAZTESA-N 1 0 389.887 3.011 20 5 GGBDRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001164923636 721868463 /nfs/dbraw/zinc/86/84/63/721868463.db2.gz JICDLFHWJFXZID-IAGOWNOFSA-N 1 0 389.887 3.011 20 5 GGBDRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001164933317 721888613 /nfs/dbraw/zinc/88/86/13/721888613.db2.gz LZNHAJLRIHGMTR-ZWKOTPCHSA-N 1 0 399.470 3.011 20 5 GGBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[NH+](C[C@H]4CCCO4)CC3)c2c1 ZINC001165038708 721919194 /nfs/dbraw/zinc/91/91/94/721919194.db2.gz OXFNMDRVIBIZMZ-CQSZACIVSA-N 1 0 376.844 3.097 20 5 GGBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nccc(C)c4[N+](=O)[O-])CC3)C2)cc1 ZINC001164940996 721922571 /nfs/dbraw/zinc/92/25/71/721922571.db2.gz YKRANFIRPAZLFA-UHFFFAOYSA-N 1 0 396.491 3.478 20 5 GGBDRO O=[N+]([O-])c1cnc(N2CC[NH+](CCOc3ccccc3)CC2)c2ccccc21 ZINC001165044196 721955752 /nfs/dbraw/zinc/95/57/52/721955752.db2.gz IZWVVVNNCHHHGV-UHFFFAOYSA-N 1 0 378.432 3.344 20 5 GGBDRO CCOC(=O)c1ccnc(N2CCCC[C@H]2CC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001165049164 721977695 /nfs/dbraw/zinc/97/76/95/721977695.db2.gz HICJLPNSHPZJPZ-HNNXBMFYSA-N 1 0 376.457 3.011 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164953759 722018511 /nfs/dbraw/zinc/01/85/11/722018511.db2.gz YDPRPCDWYAGAJE-UHFFFAOYSA-N 1 0 381.480 3.494 20 5 GGBDRO Cc1c(C)c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)ncc1[N+](=O)[O-] ZINC001164953851 722018605 /nfs/dbraw/zinc/01/86/05/722018605.db2.gz ZQDIXZOYSSXHQI-UHFFFAOYSA-N 1 0 381.480 3.494 20 5 GGBDRO O=[N+]([O-])c1cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc2[nH]ccc21 ZINC001164956199 722020239 /nfs/dbraw/zinc/02/02/39/722020239.db2.gz XVOALBXWTZUDLP-UHFFFAOYSA-N 1 0 392.463 3.359 20 5 GGBDRO COc1nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC001164993939 722195738 /nfs/dbraw/zinc/19/57/38/722195738.db2.gz JODRDARAHKHMKD-HXUWFJFHSA-N 1 0 386.427 3.382 20 5 GGBDRO CC(C)(C)[C@@H](CC(=O)[O-])[NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001589704431 987811709 /nfs/dbraw/zinc/81/17/09/987811709.db2.gz BKHVVWPRHSTDJI-LJQANCHMSA-N 1 0 391.512 3.328 20 5 GGBDRO CC(C)[C@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC000012545868 204422053 /nfs/dbraw/zinc/42/20/53/204422053.db2.gz SJMYEDBFBUWZFN-SFHVURJKSA-N 1 0 383.514 3.311 20 5 GGBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCC[NH+]1CCCCC1 ZINC000022610409 204783978 /nfs/dbraw/zinc/78/39/78/204783978.db2.gz ZMFWTWNLBCTUIS-UHFFFAOYSA-N 1 0 377.488 3.147 20 5 GGBDRO COc1ccc([C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)[NH+](C)C)cc1OC ZINC000040001149 205045304 /nfs/dbraw/zinc/04/53/04/205045304.db2.gz PQXDGZMHFPJRGK-MRXNPFEDSA-N 1 0 388.424 3.036 20 5 GGBDRO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000052620260 205133206 /nfs/dbraw/zinc/13/32/06/205133206.db2.gz AOWSHKSCOCMIOV-KRWDZBQOSA-N 1 0 398.463 3.294 20 5 GGBDRO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000052620257 205133887 /nfs/dbraw/zinc/13/38/87/205133887.db2.gz AOWSHKSCOCMIOV-QGZVFWFLSA-N 1 0 398.463 3.294 20 5 GGBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000118948965 564248434 /nfs/dbraw/zinc/24/84/34/564248434.db2.gz QUWFHVNMOZDDEY-STQMWFEESA-N 1 0 398.301 3.455 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000119059754 564252974 /nfs/dbraw/zinc/25/29/74/564252974.db2.gz JNTBGCBPNCYNNP-AWEZNQCLSA-N 1 0 396.285 3.366 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2CCC(CC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000119450513 564271029 /nfs/dbraw/zinc/27/10/29/564271029.db2.gz XSVFQPKQPRTKEQ-UHFFFAOYSA-N 1 0 398.301 3.470 20 5 GGBDRO CCC[NH+]1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000119556787 564277310 /nfs/dbraw/zinc/27/73/10/564277310.db2.gz VAPSWOJDWJCFKY-UHFFFAOYSA-N 1 0 384.274 3.304 20 5 GGBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000119690268 564282855 /nfs/dbraw/zinc/28/28/55/564282855.db2.gz HIWOGVJTRZGKFV-JHJVBQTASA-N 1 0 398.301 3.454 20 5 GGBDRO CC(C)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000119944383 564296488 /nfs/dbraw/zinc/29/64/88/564296488.db2.gz YZZXAJCPQADAFE-UHFFFAOYSA-N 1 0 384.274 3.208 20 5 GGBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)[NH+]1CCC(C)CC1 ZINC000119964826 564297858 /nfs/dbraw/zinc/29/78/58/564297858.db2.gz JMETVJYBMACECD-GFCCVEGCSA-N 1 0 384.274 3.208 20 5 GGBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000120100874 564305167 /nfs/dbraw/zinc/30/51/67/564305167.db2.gz VFIMBWXLSDVELQ-GFCCVEGCSA-N 1 0 384.274 3.208 20 5 GGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC2CCS(=O)(=O)CC2)s1 ZINC000120885572 564341393 /nfs/dbraw/zinc/34/13/93/564341393.db2.gz XHMBUYSEGGMSBE-UHFFFAOYSA-N 1 0 380.491 3.238 20 5 GGBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000120964538 564346308 /nfs/dbraw/zinc/34/63/08/564346308.db2.gz UUKXRTWPLNOMOJ-AWEZNQCLSA-N 1 0 396.285 3.448 20 5 GGBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000026713073 564348612 /nfs/dbraw/zinc/34/86/12/564348612.db2.gz GNPGVGPRLBCYMF-MLGOLLRUSA-N 1 0 395.253 3.448 20 5 GGBDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000029371871 564369950 /nfs/dbraw/zinc/36/99/50/564369950.db2.gz UXHZCHMRNBFTEQ-UHFFFAOYSA-N 1 0 383.901 3.340 20 5 GGBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000121577071 564375916 /nfs/dbraw/zinc/37/59/16/564375916.db2.gz IDBFHOQBRRHSFP-NSHDSACASA-N 1 0 382.258 3.104 20 5 GGBDRO Cc1c(Br)cc(C(=O)N(C)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000121839817 564388304 /nfs/dbraw/zinc/38/83/04/564388304.db2.gz ZICUPDHCZVUMBX-UHFFFAOYSA-N 1 0 384.274 3.080 20 5 GGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000122472514 564415566 /nfs/dbraw/zinc/41/55/66/564415566.db2.gz KHKYKMQVRMEDMP-CQSZACIVSA-N 1 0 384.274 3.304 20 5 GGBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000122768200 564426634 /nfs/dbraw/zinc/42/66/34/564426634.db2.gz APNUNXRIHQLYIY-GFCCVEGCSA-N 1 0 384.274 3.161 20 5 GGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000123776459 564461488 /nfs/dbraw/zinc/46/14/88/564461488.db2.gz QNGKSIYEDQEBOU-KGLIPLIRSA-N 1 0 382.258 3.056 20 5 GGBDRO Cc1c(Br)cc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000123966443 564467420 /nfs/dbraw/zinc/46/74/20/564467420.db2.gz BNOJCSFJKBNLFZ-LBPRGKRZSA-N 1 0 384.274 3.080 20 5 GGBDRO CC(C)(C)[NH+]1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000124138256 564472058 /nfs/dbraw/zinc/47/20/58/564472058.db2.gz RRTZTJUJQYWRNJ-UHFFFAOYSA-N 1 0 398.301 3.279 20 5 GGBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000124382110 564480813 /nfs/dbraw/zinc/48/08/13/564480813.db2.gz TTWHLTWYGINCKT-CYBMUJFWSA-N 1 0 398.301 3.455 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2CCN(C)C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000124857428 564495532 /nfs/dbraw/zinc/49/55/32/564495532.db2.gz AZQXGKUDHYZIIG-OAHLLOKOSA-N 1 0 384.274 3.078 20 5 GGBDRO Cc1c(Br)cc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000125086759 564502496 /nfs/dbraw/zinc/50/24/96/564502496.db2.gz AUYCAPKSURGLPF-HZMBPMFUSA-N 1 0 384.274 3.078 20 5 GGBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000125913105 564530990 /nfs/dbraw/zinc/53/09/90/564530990.db2.gz BYSOFBRSTMUYRT-GFCCVEGCSA-N 1 0 384.274 3.080 20 5 GGBDRO Cc1c(Br)cc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000126776350 564561990 /nfs/dbraw/zinc/56/19/90/564561990.db2.gz ZKAAEPKHUYBDJY-OLZOCXBDSA-N 1 0 384.274 3.268 20 5 GGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1c1ccccc1Br ZINC000132534178 564745957 /nfs/dbraw/zinc/74/59/57/564745957.db2.gz MBFSISJKYDIKAK-INIZCTEOSA-N 1 0 392.253 3.356 20 5 GGBDRO C[C@@H](CCS(C)(=O)=O)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000134586449 564808016 /nfs/dbraw/zinc/80/80/16/564808016.db2.gz KXLDDPRFCXWCBZ-NSHDSACASA-N 1 0 386.857 3.421 20 5 GGBDRO COC[C@](C)(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000069912476 564847186 /nfs/dbraw/zinc/84/71/86/564847186.db2.gz AOOGBZQGFOIHLJ-MRXNPFEDSA-N 1 0 399.241 3.104 20 5 GGBDRO O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150808220 564892329 /nfs/dbraw/zinc/89/23/29/564892329.db2.gz LSDXAZVRVCHUOO-AWEZNQCLSA-N 1 0 396.285 3.448 20 5 GGBDRO CC[NH+](CC)C[C@H](C)Nc1ccc(I)cc1[N+](=O)[O-] ZINC000096482948 564902128 /nfs/dbraw/zinc/90/21/28/564902128.db2.gz YDYRENVMIGPQCS-JTQLQIEISA-N 1 0 377.226 3.342 20 5 GGBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ccc(I)cc2[N+](=O)[O-])C1 ZINC000096482956 564902219 /nfs/dbraw/zinc/90/22/19/564902219.db2.gz GQGLFSZDPUOZRI-NSHDSACASA-N 1 0 389.237 3.342 20 5 GGBDRO C[C@H]1C[C@H](Nc2ccc(I)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000097635712 564909361 /nfs/dbraw/zinc/90/93/61/564909361.db2.gz IYBHEEIKIATDLX-GXSJLCMTSA-N 1 0 375.210 3.094 20 5 GGBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000102429050 564930308 /nfs/dbraw/zinc/93/03/08/564930308.db2.gz XVSBZLYVQSLNFV-UHFFFAOYSA-N 1 0 392.253 3.267 20 5 GGBDRO C[NH+](C)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C(C)(C)C ZINC000152402007 564957828 /nfs/dbraw/zinc/95/78/28/564957828.db2.gz CCXFSDLDRQSOGZ-CQSZACIVSA-N 1 0 386.290 3.454 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000152611056 564965224 /nfs/dbraw/zinc/96/52/24/564965224.db2.gz CNUDQXGUGHQISN-CYBMUJFWSA-N 1 0 396.285 3.033 20 5 GGBDRO O=[N+]([O-])c1cc(I)ccc1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000107815952 565003508 /nfs/dbraw/zinc/00/35/08/565003508.db2.gz FGEZAUCQHUKHKW-JTQLQIEISA-N 1 0 387.221 3.096 20 5 GGBDRO COC[C@@H](O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000153784155 565010759 /nfs/dbraw/zinc/01/07/59/565010759.db2.gz PECJNANKSKCGDK-LBPRGKRZSA-N 1 0 399.241 3.104 20 5 GGBDRO CC(C)n1c(Sc2ncc(Cl)cc2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000153798077 565011850 /nfs/dbraw/zinc/01/18/50/565011850.db2.gz RTPXPBUDBNSEDL-JTQLQIEISA-N 1 0 382.877 3.434 20 5 GGBDRO C[NH+](C)Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000154879669 565055714 /nfs/dbraw/zinc/05/57/14/565055714.db2.gz VYDHOAGKBCRZTA-UHFFFAOYSA-N 1 0 392.253 3.349 20 5 GGBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C2 ZINC000155108211 565061895 /nfs/dbraw/zinc/06/18/95/565061895.db2.gz DUNARSZUJUXPEK-NWDGAFQWSA-N 1 0 383.246 3.058 20 5 GGBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](Cc3ccccn3)CC2)c(Br)c1 ZINC000267209529 565109978 /nfs/dbraw/zinc/10/99/78/565109978.db2.gz HBKVYMLQOWBTDI-UHFFFAOYSA-N 1 0 392.257 3.224 20 5 GGBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000267478998 565119310 /nfs/dbraw/zinc/11/93/10/565119310.db2.gz HYTJBLBAUWPXIT-UHFFFAOYSA-N 1 0 384.274 3.350 20 5 GGBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000267939918 565134524 /nfs/dbraw/zinc/13/45/24/565134524.db2.gz RNURSYCNXIBLSJ-QWRGUYRKSA-N 1 0 388.237 3.099 20 5 GGBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000267909409 565135149 /nfs/dbraw/zinc/13/51/49/565135149.db2.gz DCUAXDPKSOHYEF-NSHDSACASA-N 1 0 388.237 3.053 20 5 GGBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267983366 565136735 /nfs/dbraw/zinc/13/67/35/565136735.db2.gz YIWVSZAYMNBNIS-SNVBAGLBSA-N 1 0 388.237 3.101 20 5 GGBDRO C[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268723854 565165608 /nfs/dbraw/zinc/16/56/08/565165608.db2.gz AEHVCDBJXNRQJN-CHWSQXEVSA-N 1 0 380.491 3.409 20 5 GGBDRO O=[N+]([O-])c1ccc(Br)cc1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000268786250 565167936 /nfs/dbraw/zinc/16/79/36/565167936.db2.gz DXXQKUCZNNLZMC-LBPRGKRZSA-N 1 0 384.274 3.270 20 5 GGBDRO [NH3+]C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C1CCCCC1 ZINC000269236861 565182370 /nfs/dbraw/zinc/18/23/70/565182370.db2.gz XDTKQUYFNJRWIO-LBPRGKRZSA-N 1 0 388.237 3.134 20 5 GGBDRO CC1CC[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000158822126 565183923 /nfs/dbraw/zinc/18/39/23/565183923.db2.gz CMFDMGXLFAXOHJ-UHFFFAOYSA-N 1 0 384.274 3.209 20 5 GGBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000269673962 565196950 /nfs/dbraw/zinc/19/69/50/565196950.db2.gz JEHSPHUQVSMGFN-QMMMGPOBSA-N 1 0 378.654 3.081 20 5 GGBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Br)C2)CC1 ZINC000270068263 565207740 /nfs/dbraw/zinc/20/77/40/565207740.db2.gz CDLXSESISOZYAI-ZDUSSCGKSA-N 1 0 396.285 3.161 20 5 GGBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3ccc(Br)c([N+](=O)[O-])c3)C2)CC1 ZINC000270155571 565209865 /nfs/dbraw/zinc/20/98/65/565209865.db2.gz RYDLSICNKJHHHN-AWEZNQCLSA-N 1 0 396.285 3.161 20 5 GGBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000372210428 565226722 /nfs/dbraw/zinc/22/67/22/565226722.db2.gz GSNLUSMVIHWRRE-LBPRGKRZSA-N 1 0 383.246 3.059 20 5 GGBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(NC2CC[NH+](CC3CCCC3)CC2)s1 ZINC000271307527 565247055 /nfs/dbraw/zinc/24/70/55/565247055.db2.gz RVDRSIHXBFRHID-UHFFFAOYSA-N 1 0 387.527 3.126 20 5 GGBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000186290924 565252108 /nfs/dbraw/zinc/25/21/08/565252108.db2.gz BDLRJEBJYNHOSY-CYBMUJFWSA-N 1 0 398.301 3.281 20 5 GGBDRO O=C(NCCCCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1Br ZINC000295551269 565272843 /nfs/dbraw/zinc/27/28/43/565272843.db2.gz IXARJMAUARSJQX-UHFFFAOYSA-N 1 0 384.274 3.353 20 5 GGBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000272168162 565279796 /nfs/dbraw/zinc/27/97/96/565279796.db2.gz IVGUFAYWDUBIOT-NSHDSACASA-N 1 0 384.274 3.160 20 5 GGBDRO Cc1c(Br)cc(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000272787401 565296934 /nfs/dbraw/zinc/29/69/34/565296934.db2.gz SPODNQYXGWVFEP-NSHDSACASA-N 1 0 382.258 3.046 20 5 GGBDRO CC(C)[C@H](NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)c1ncc[nH]1 ZINC000296082401 565301131 /nfs/dbraw/zinc/30/11/31/565301131.db2.gz PYUNDWOKOZOWJG-NSHDSACASA-N 1 0 393.252 3.300 20 5 GGBDRO CCC[NH+]1CCC(N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000162347998 565314061 /nfs/dbraw/zinc/31/40/61/565314061.db2.gz FPAGQDKMTJZMSR-UHFFFAOYSA-N 1 0 384.274 3.304 20 5 GGBDRO CCC[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000187785580 565354696 /nfs/dbraw/zinc/35/46/96/565354696.db2.gz JQHNGWJRVOFLJW-CQSZACIVSA-N 1 0 383.495 3.066 20 5 GGBDRO O=C(NC1CC[NH+](C2CCC2)CC1)c1ccc([N+](=O)[O-])cc1Br ZINC000297149361 565359229 /nfs/dbraw/zinc/35/92/29/565359229.db2.gz LUJHELLDNMKZAM-UHFFFAOYSA-N 1 0 382.258 3.104 20 5 GGBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000275555230 565417583 /nfs/dbraw/zinc/41/75/83/565417583.db2.gz CSWKUWOBLBYIBN-RYUDHWBXSA-N 1 0 380.388 3.079 20 5 GGBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000275555227 565417780 /nfs/dbraw/zinc/41/77/80/565417780.db2.gz CSWKUWOBLBYIBN-NWDGAFQWSA-N 1 0 380.388 3.079 20 5 GGBDRO CC(C)[C@H](CNc1ccc([N+](=O)[O-])cc1Br)N1CC[NH+](C)CC1 ZINC000301134065 565465852 /nfs/dbraw/zinc/46/58/52/565465852.db2.gz ZRRXJAVMLQWFSS-INIZCTEOSA-N 1 0 385.306 3.041 20 5 GGBDRO CN1CCC([NH+]2CCC(Nc3ccc(Br)cc3[N+](=O)[O-])CC2)CC1 ZINC000301145697 565467333 /nfs/dbraw/zinc/46/73/33/565467333.db2.gz AQBPSJIEVRDDEI-UHFFFAOYSA-N 1 0 397.317 3.328 20 5 GGBDRO CCN1CC[NH+](C[C@H](C)CNc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301158136 565468452 /nfs/dbraw/zinc/46/84/52/565468452.db2.gz OEYVWQJYHLGLJS-CYBMUJFWSA-N 1 0 385.306 3.043 20 5 GGBDRO C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000277109574 565476889 /nfs/dbraw/zinc/47/68/89/565476889.db2.gz QJMLYXLBWPSBOC-LBPRGKRZSA-N 1 0 385.262 3.305 20 5 GGBDRO CC(C)[C@H](CNc1cc(Br)ccc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000301328207 565479284 /nfs/dbraw/zinc/47/92/84/565479284.db2.gz CJEIRAKATVHQDZ-INIZCTEOSA-N 1 0 385.306 3.041 20 5 GGBDRO C[C@@H]1C[N@@H+](CCCCNc2ncc([N+](=O)[O-])cc2Br)C[C@H](C)O1 ZINC000301659639 565501854 /nfs/dbraw/zinc/50/18/54/565501854.db2.gz TWCCLMITUKVXIG-TXEJJXNPSA-N 1 0 387.278 3.054 20 5 GGBDRO C[C@@H]1C[NH+](CCCCNc2ncc(Br)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000301661711 565503008 /nfs/dbraw/zinc/50/30/08/565503008.db2.gz KCTKTEIBGVNAAZ-VXGBXAGGSA-N 1 0 387.278 3.054 20 5 GGBDRO CC(C)OCC[NH+]1CCC(Nc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301690207 565504407 /nfs/dbraw/zinc/50/44/07/565504407.db2.gz NHZVDZZTCJGNPJ-UHFFFAOYSA-N 1 0 387.278 3.054 20 5 GGBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(Br)c1 ZINC000301754483 565509629 /nfs/dbraw/zinc/50/96/29/565509629.db2.gz CNUHKMDFPSTPJG-NHYWBVRUSA-N 1 0 381.274 3.205 20 5 GGBDRO C[NH+](C)[C@@H](CNc1c(Br)cncc1[N+](=O)[O-])Cc1ccccc1 ZINC000301825789 565511765 /nfs/dbraw/zinc/51/17/65/565511765.db2.gz DWXPREKBZIUBLU-CYBMUJFWSA-N 1 0 379.258 3.337 20 5 GGBDRO COc1ccccc1[C@H](CNc1c(Br)cncc1[N+](=O)[O-])[NH+](C)C ZINC000301844261 565513146 /nfs/dbraw/zinc/51/31/46/565513146.db2.gz SAYGGYQGNGRJAI-ZDUSSCGKSA-N 1 0 395.257 3.476 20 5 GGBDRO O=[N+]([O-])c1cncc(Br)c1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000301872575 565515803 /nfs/dbraw/zinc/51/58/03/565515803.db2.gz DFNLUSNVOFILOP-FZMZJTMJSA-N 1 0 381.274 3.205 20 5 GGBDRO O=[N+]([O-])c1cncc(Br)c1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000301871974 565515925 /nfs/dbraw/zinc/51/59/25/565515925.db2.gz DFNLUSNVOFILOP-BXUZGUMPSA-N 1 0 381.274 3.205 20 5 GGBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000277982394 565532191 /nfs/dbraw/zinc/53/21/91/565532191.db2.gz ACKHTMLQLQRODL-VIFPVBQESA-N 1 0 390.303 3.221 20 5 GGBDRO C[C@@H]1C[N@@H+](C[C@H]2CCCN2c2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000302402617 565540600 /nfs/dbraw/zinc/54/06/00/565540600.db2.gz FVDKWBQSTYENNG-VNHYZAJKSA-N 1 0 398.301 3.435 20 5 GGBDRO C[C@@H](O)C[N@@H+]1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000302384262 565541015 /nfs/dbraw/zinc/54/10/15/565541015.db2.gz AJJQWTHUBSWNPD-NXEZZACHSA-N 1 0 381.782 3.158 20 5 GGBDRO Cc1cc(N2CCN(c3cc[nH+]cc3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302628559 565547448 /nfs/dbraw/zinc/54/74/48/565547448.db2.gz BRGAENGGSWAVLR-UHFFFAOYSA-N 1 0 377.242 3.387 20 5 GGBDRO CCN1CC[NH+](C[C@@H](C)CNc2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000302609279 565547651 /nfs/dbraw/zinc/54/76/51/565547651.db2.gz BGXPYMBALFFIEZ-ZDUSSCGKSA-N 1 0 385.306 3.043 20 5 GGBDRO Cc1cc(NC[C@@H](O)C[NH+]2CCC(C)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302676235 565549792 /nfs/dbraw/zinc/54/97/92/565549792.db2.gz MVRXKOHNXTWARW-CYBMUJFWSA-N 1 0 386.290 3.170 20 5 GGBDRO CCN1CC[NH+](C[C@@H](C)CNc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000302709979 565550731 /nfs/dbraw/zinc/55/07/31/565550731.db2.gz ZDVWMUMJCFYEGZ-ZDUSSCGKSA-N 1 0 385.306 3.043 20 5 GGBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000278823798 565579935 /nfs/dbraw/zinc/57/99/35/565579935.db2.gz YGLRCMFHCPCKOJ-CYBMUJFWSA-N 1 0 398.301 3.042 20 5 GGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)cc1 ZINC000326720993 565624899 /nfs/dbraw/zinc/62/48/99/565624899.db2.gz YXWHHNXWYHHMPX-HNNXBMFYSA-N 1 0 385.247 3.474 20 5 GGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)cc1 ZINC000326584801 565625086 /nfs/dbraw/zinc/62/50/86/565625086.db2.gz BUEXDXQFURGQQF-OAHLLOKOSA-N 1 0 385.247 3.474 20 5 GGBDRO [NH3+]CCC[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000327874777 565633358 /nfs/dbraw/zinc/63/33/58/565633358.db2.gz XYKFBEWBCBVXEY-AWEZNQCLSA-N 1 0 383.857 3.007 20 5 GGBDRO CC(C)(CCS(C)(=O)=O)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000174638501 565648756 /nfs/dbraw/zinc/64/87/56/565648756.db2.gz YMILRGQMEIJHLD-UHFFFAOYSA-N 1 0 383.495 3.021 20 5 GGBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC1(c2ccc(Br)cc2)CC1 ZINC000174872913 565664348 /nfs/dbraw/zinc/66/43/48/565664348.db2.gz GMGXPSZFTLBJFG-UHFFFAOYSA-N 1 0 379.258 3.217 20 5 GGBDRO O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000192338569 565680755 /nfs/dbraw/zinc/68/07/55/565680755.db2.gz IKXGZMWWHDKHPZ-ZDUSSCGKSA-N 1 0 396.285 3.448 20 5 GGBDRO CC(C)C[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000192331595 565681079 /nfs/dbraw/zinc/68/10/79/565681079.db2.gz ZKTJGMYIJWLDPC-UHFFFAOYSA-N 1 0 384.274 3.208 20 5 GGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000192359005 565682683 /nfs/dbraw/zinc/68/26/83/565682683.db2.gz XQGCFLPYWWFFJI-LBPRGKRZSA-N 1 0 384.274 3.161 20 5 GGBDRO CC1(C)CC(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000175185206 565683974 /nfs/dbraw/zinc/68/39/74/565683974.db2.gz AWKPBCAOOFBQES-UHFFFAOYSA-N 1 0 384.274 3.396 20 5 GGBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000330463188 565707418 /nfs/dbraw/zinc/70/74/18/565707418.db2.gz CEUOZPRSVLANDO-GFCCVEGCSA-N 1 0 384.274 3.222 20 5 GGBDRO CC[NH+]1CCC(N(C)C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CC1 ZINC000330467184 565707722 /nfs/dbraw/zinc/70/77/22/565707722.db2.gz IUXNKWYMQUZVKD-UHFFFAOYSA-N 1 0 384.274 3.222 20 5 GGBDRO C[NH+](C)CC[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(C)(C)C ZINC000175979090 565738846 /nfs/dbraw/zinc/73/88/46/565738846.db2.gz NFGOLXFHLMLVIJ-CQSZACIVSA-N 1 0 386.290 3.454 20 5 GGBDRO C[N@@H+](Cc1ccc(Br)cc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193315974 565744294 /nfs/dbraw/zinc/74/42/94/565744294.db2.gz AVGLDTOHPZQHCB-OAHLLOKOSA-N 1 0 395.253 3.229 20 5 GGBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000331517934 565763997 /nfs/dbraw/zinc/76/39/97/565763997.db2.gz DQHJRWCNHFODCI-GXTWGEPZSA-N 1 0 383.901 3.426 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000331530361 565765545 /nfs/dbraw/zinc/76/55/45/565765545.db2.gz PEJOPCBVNCJXAL-MWLCHTKSSA-N 1 0 382.258 3.021 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000283275463 565813977 /nfs/dbraw/zinc/81/39/77/565813977.db2.gz BCSUNTRRNONSSB-UHFFFAOYSA-N 1 0 384.274 3.080 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccs1 ZINC000176924132 565815469 /nfs/dbraw/zinc/81/54/69/565815469.db2.gz HHONKRLGECIQMN-CYBMUJFWSA-N 1 0 398.282 3.452 20 5 GGBDRO C[NH+](C)Cc1cccc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000176947488 565817564 /nfs/dbraw/zinc/81/75/64/565817564.db2.gz JRXGBQXSICAZMV-UHFFFAOYSA-N 1 0 392.253 3.349 20 5 GGBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177026673 565824046 /nfs/dbraw/zinc/82/40/46/565824046.db2.gz PREDRLWEQMGKDG-JHJVBQTASA-N 1 0 398.301 3.454 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000332368318 565832192 /nfs/dbraw/zinc/83/21/92/565832192.db2.gz WEBWXVAUUQKMPX-ZDUSSCGKSA-N 1 0 396.285 3.366 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000332467907 565839472 /nfs/dbraw/zinc/83/94/72/565839472.db2.gz SVXHJKAWJUDZNU-UHFFFAOYSA-N 1 0 396.285 3.366 20 5 GGBDRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000332496229 565840538 /nfs/dbraw/zinc/84/05/38/565840538.db2.gz BVULCPCLHYJHGU-WCQYABFASA-N 1 0 382.258 3.056 20 5 GGBDRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000332509486 565841430 /nfs/dbraw/zinc/84/14/30/565841430.db2.gz HJBWBXKZZMAYRG-FZMZJTMJSA-N 1 0 382.258 3.056 20 5 GGBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177286784 565841507 /nfs/dbraw/zinc/84/15/07/565841507.db2.gz VZXJCRHACMYZBO-CYBMUJFWSA-N 1 0 384.274 3.352 20 5 GGBDRO C[NH+](C)CCC1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000177284241 565841746 /nfs/dbraw/zinc/84/17/46/565841746.db2.gz GPKYKCPNBKBCQZ-UHFFFAOYSA-N 1 0 384.274 3.161 20 5 GGBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000332509489 565841752 /nfs/dbraw/zinc/84/17/52/565841752.db2.gz HJBWBXKZZMAYRG-RISCZKNCSA-N 1 0 382.258 3.056 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000332533195 565843205 /nfs/dbraw/zinc/84/32/05/565843205.db2.gz SWEVTBGIYIXMPM-RISCZKNCSA-N 1 0 396.285 3.365 20 5 GGBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000332597142 565846135 /nfs/dbraw/zinc/84/61/35/565846135.db2.gz PPCMDSXOSHIRGQ-STQMWFEESA-N 1 0 396.285 3.365 20 5 GGBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000332595748 565846313 /nfs/dbraw/zinc/84/63/13/565846313.db2.gz GQMLTZGJCUSYAB-OLZOCXBDSA-N 1 0 382.258 3.056 20 5 GGBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000195021371 565854309 /nfs/dbraw/zinc/85/43/09/565854309.db2.gz YOZWBSJBMQDALA-JTQLQIEISA-N 1 0 378.226 3.307 20 5 GGBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](Cc3ccncc3)CC2)c(Br)c1 ZINC000177544237 565858692 /nfs/dbraw/zinc/85/86/92/565858692.db2.gz OOZHKIXGABJQNC-UHFFFAOYSA-N 1 0 392.257 3.224 20 5 GGBDRO C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284907671 565876339 /nfs/dbraw/zinc/87/63/39/565876339.db2.gz CNIKOZNCBPTPQJ-SNVBAGLBSA-N 1 0 383.857 3.085 20 5 GGBDRO O=C1O[C@H](CN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC12CCC2 ZINC000285002030 565882261 /nfs/dbraw/zinc/88/22/61/565882261.db2.gz YVOBWHNBVAHMQG-NSHDSACASA-N 1 0 395.253 3.201 20 5 GGBDRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000285200560 565893994 /nfs/dbraw/zinc/89/39/94/565893994.db2.gz OBUMZRXWANQCKG-TZMCWYRMSA-N 1 0 380.388 3.059 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000285450957 565907863 /nfs/dbraw/zinc/90/78/63/565907863.db2.gz ZETKXXRRPZRQKH-UHFFFAOYSA-N 1 0 393.241 3.375 20 5 GGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000414331868 565911851 /nfs/dbraw/zinc/91/18/51/565911851.db2.gz RCLFPZUBJUKPBN-AWEZNQCLSA-N 1 0 386.539 3.270 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000285821691 565928230 /nfs/dbraw/zinc/92/82/30/565928230.db2.gz ZKEOIHHRSXVGLT-GFCCVEGCSA-N 1 0 398.301 3.468 20 5 GGBDRO C[C@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178648635 565931323 /nfs/dbraw/zinc/93/13/23/565931323.db2.gz BXURMKHPRPCROO-LBPRGKRZSA-N 1 0 392.253 3.438 20 5 GGBDRO C[C@@H]([NH2+]CCNC(=O)c1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178652344 565931584 /nfs/dbraw/zinc/93/15/84/565931584.db2.gz MGLQMKQSXURLER-GFCCVEGCSA-N 1 0 392.253 3.438 20 5 GGBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000285939131 565934228 /nfs/dbraw/zinc/93/42/28/565934228.db2.gz USQYELDLJUCPBO-XHDPSFHLSA-N 1 0 382.258 3.056 20 5 GGBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000285979208 565935800 /nfs/dbraw/zinc/93/58/00/565935800.db2.gz XAPPNSPCRLLCTE-WCQYABFASA-N 1 0 382.258 3.056 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCC[NH2+]C1CCCCCC1 ZINC000236567799 565938495 /nfs/dbraw/zinc/93/84/95/565938495.db2.gz FIBVXUQYWXWASS-UHFFFAOYSA-N 1 0 398.301 3.328 20 5 GGBDRO C[C@H]1C[C@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CS1 ZINC000414496829 565942452 /nfs/dbraw/zinc/94/24/52/565942452.db2.gz JDSOLBFJFUUAOO-KWQFWETISA-N 1 0 378.235 3.183 20 5 GGBDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CS1 ZINC000414496826 565942876 /nfs/dbraw/zinc/94/28/76/565942876.db2.gz JDSOLBFJFUUAOO-GZMMTYOYSA-N 1 0 378.235 3.183 20 5 GGBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CS1 ZINC000414496832 565943122 /nfs/dbraw/zinc/94/31/22/565943122.db2.gz JDSOLBFJFUUAOO-LDYMZIIASA-N 1 0 378.235 3.183 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286293406 565951786 /nfs/dbraw/zinc/95/17/86/565951786.db2.gz SBDRIFZCUPFOEK-FUNVUKJBSA-N 1 0 396.285 3.363 20 5 GGBDRO [NH3+]C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C1CC1 ZINC000414812218 565962739 /nfs/dbraw/zinc/96/27/39/565962739.db2.gz XFVXZXYAHKUNKU-OAHLLOKOSA-N 1 0 380.242 3.444 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N3CCC([NH3+])CC3)cc2[N+](=O)[O-])n1 ZINC000237648444 565966394 /nfs/dbraw/zinc/96/63/94/565966394.db2.gz JTRUWHPKNICWSH-UHFFFAOYSA-N 1 0 378.479 3.074 20 5 GGBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000179223549 565967319 /nfs/dbraw/zinc/96/73/19/565967319.db2.gz SVZOGEGQVOTGJZ-UHFFFAOYSA-N 1 0 392.253 3.188 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CCS(=O)(=O)C3)o2)c(Cl)c1 ZINC000237816353 565971071 /nfs/dbraw/zinc/97/10/71/565971071.db2.gz YOPPMKQVGZDBCZ-LLVKDONJSA-N 1 0 384.841 3.033 20 5 GGBDRO C[N@H+](CCCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000179566017 565990507 /nfs/dbraw/zinc/99/05/07/565990507.db2.gz POPIQCSKVFRDAS-UHFFFAOYSA-N 1 0 375.516 3.126 20 5 GGBDRO Cc1c(NC(=O)NCC[C@@H]2CCC[NH2+]C2)cc(Br)cc1[N+](=O)[O-] ZINC000415658680 566012159 /nfs/dbraw/zinc/01/21/59/566012159.db2.gz NSAYNDSJWJCUID-NSHDSACASA-N 1 0 385.262 3.177 20 5 GGBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000246156478 566018753 /nfs/dbraw/zinc/01/87/53/566018753.db2.gz IFMKNVXAWQGACI-STQMWFEESA-N 1 0 398.301 3.136 20 5 GGBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000180393224 566060312 /nfs/dbraw/zinc/06/03/12/566060312.db2.gz BRILQCXBVQZAEC-BLLLJJGKSA-N 1 0 395.253 3.448 20 5 GGBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000180393209 566060417 /nfs/dbraw/zinc/06/04/17/566060417.db2.gz BRILQCXBVQZAEC-WBMJQRKESA-N 1 0 395.253 3.448 20 5 GGBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000180409007 566061767 /nfs/dbraw/zinc/06/17/67/566061767.db2.gz NFXATKVHDLOKGQ-SNVBAGLBSA-N 1 0 379.214 3.042 20 5 GGBDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180434462 566062323 /nfs/dbraw/zinc/06/23/23/566062323.db2.gz ZMDJCDOADFHJOZ-LRDDRELGSA-N 1 0 395.253 3.448 20 5 GGBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000180553035 566072713 /nfs/dbraw/zinc/07/27/13/566072713.db2.gz WIZHXISWECKKPO-GFCCVEGCSA-N 1 0 384.274 3.208 20 5 GGBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000248372633 566076019 /nfs/dbraw/zinc/07/60/19/566076019.db2.gz BDOJAFRRZWKKPJ-JSGCOSHPSA-N 1 0 383.901 3.283 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCOCCO)o2)c(Br)c1 ZINC000181221000 566125250 /nfs/dbraw/zinc/12/52/50/566125250.db2.gz XXKOYHHLWCGCGO-UHFFFAOYSA-N 1 0 399.241 3.106 20 5 GGBDRO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1cccnc1 ZINC000181276258 566129887 /nfs/dbraw/zinc/12/98/87/566129887.db2.gz HAJZAFMSAFMFEG-JTQLQIEISA-N 1 0 379.214 3.042 20 5 GGBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1cccs1 ZINC000417344053 566147664 /nfs/dbraw/zinc/14/76/64/566147664.db2.gz PKXJQZFULPXFLA-VBNZEHGJSA-N 1 0 380.491 3.212 20 5 GGBDRO Cc1c(Br)cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000366603399 566161261 /nfs/dbraw/zinc/16/12/61/566161261.db2.gz MTRXJOCEQZACFL-CHWSQXEVSA-N 1 0 382.258 3.022 20 5 GGBDRO Cc1c(Br)cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000366603402 566161404 /nfs/dbraw/zinc/16/14/04/566161404.db2.gz MTRXJOCEQZACFL-STQMWFEESA-N 1 0 382.258 3.022 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Br)cn2)cc1[N+](=O)[O-] ZINC000181815166 566167485 /nfs/dbraw/zinc/16/74/85/566167485.db2.gz NWKJOKHZRDXBAC-NSHDSACASA-N 1 0 393.241 3.350 20 5 GGBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000290540159 566177801 /nfs/dbraw/zinc/17/78/01/566177801.db2.gz OMVBSCYYFKZVJR-NEPJUHHUSA-N 1 0 382.258 3.056 20 5 GGBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000290540202 566178348 /nfs/dbraw/zinc/17/83/48/566178348.db2.gz OMVBSCYYFKZVJR-VXGBXAGGSA-N 1 0 382.258 3.056 20 5 GGBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000182090240 566181775 /nfs/dbraw/zinc/18/17/75/566181775.db2.gz MBDWWMXDLVABJQ-LBPRGKRZSA-N 1 0 397.273 3.307 20 5 GGBDRO COCCOCCOCCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290877685 566193350 /nfs/dbraw/zinc/19/33/50/566193350.db2.gz LUKNUDAGFKVIFV-UHFFFAOYSA-N 1 0 381.256 3.061 20 5 GGBDRO CNC(=O)CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000263833328 566197149 /nfs/dbraw/zinc/19/71/49/566197149.db2.gz WCBLSDBFXBKGIP-UHFFFAOYSA-N 1 0 396.241 3.233 20 5 GGBDRO COCCCC[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000418140080 566200372 /nfs/dbraw/zinc/20/03/72/566200372.db2.gz FJIQOQYYMOXOCE-UHFFFAOYSA-N 1 0 378.210 3.058 20 5 GGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000183041837 566236774 /nfs/dbraw/zinc/23/67/74/566236774.db2.gz SXRHUEBMOOYJGN-KGLIPLIRSA-N 1 0 383.901 3.426 20 5 GGBDRO O=[N+]([O-])c1cnc(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)c(Cl)c1 ZINC000265479300 566237862 /nfs/dbraw/zinc/23/78/62/566237862.db2.gz GVFRLSOAXDCILZ-UHFFFAOYSA-N 1 0 380.861 3.188 20 5 GGBDRO C[C@H](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[NH+]1CCCCC1 ZINC000183135197 566239205 /nfs/dbraw/zinc/23/92/05/566239205.db2.gz DBDAEYKHFRLZPD-CYBMUJFWSA-N 1 0 398.301 3.281 20 5 GGBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC([NH+]2CCCCC2)CC1 ZINC000265792342 566241863 /nfs/dbraw/zinc/24/18/63/566241863.db2.gz LXABSEZMBUMHLA-UHFFFAOYSA-N 1 0 396.285 3.448 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000555810324 566252825 /nfs/dbraw/zinc/25/28/25/566252825.db2.gz RESXNWMDAWKLMK-LBPRGKRZSA-N 1 0 384.274 3.126 20 5 GGBDRO CC[NH+]1CCC(CCNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599591775 566277175 /nfs/dbraw/zinc/27/71/75/566277175.db2.gz VTFMTXVNJBUOSI-UHFFFAOYSA-N 1 0 384.274 3.209 20 5 GGBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599607026 566280065 /nfs/dbraw/zinc/28/00/65/566280065.db2.gz IUBCRXBJRDWGQG-LBPRGKRZSA-N 1 0 384.274 3.161 20 5 GGBDRO [NH3+]CCC[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000420470839 566280343 /nfs/dbraw/zinc/28/03/43/566280343.db2.gz XWQFUJDPPBPFFD-CQSZACIVSA-N 1 0 383.857 3.007 20 5 GGBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599666711 566284164 /nfs/dbraw/zinc/28/41/64/566284164.db2.gz BRCABKLGHNZNML-GFCCVEGCSA-N 1 0 384.274 3.065 20 5 GGBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@H]1CCCC[C@H]1N1CCOCC1 ZINC000575918168 566297508 /nfs/dbraw/zinc/29/75/08/566297508.db2.gz NVDCPAPIXRJZJS-JKSUJKDBSA-N 1 0 398.301 3.090 20 5 GGBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599827449 566299079 /nfs/dbraw/zinc/29/90/79/566299079.db2.gz BNRCEASRQGDYDU-GFCCVEGCSA-N 1 0 382.258 3.104 20 5 GGBDRO Cc1cc(N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c(Br)cc1[N+](=O)[O-] ZINC000575974458 566302763 /nfs/dbraw/zinc/30/27/63/566302763.db2.gz IIVVMIRFRPBHFP-PBHICJAKSA-N 1 0 398.301 3.388 20 5 GGBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599933161 566304160 /nfs/dbraw/zinc/30/41/60/566304160.db2.gz CZMAROTWWOUWEU-RYUDHWBXSA-N 1 0 382.258 3.056 20 5 GGBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599933162 566304170 /nfs/dbraw/zinc/30/41/70/566304170.db2.gz CZMAROTWWOUWEU-VXGBXAGGSA-N 1 0 382.258 3.056 20 5 GGBDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000462445505 566304715 /nfs/dbraw/zinc/30/47/15/566304715.db2.gz GULKNLZCLJVWCP-UHFFFAOYSA-N 1 0 396.296 3.006 20 5 GGBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cccc(Br)c1 ZINC000535583422 566313552 /nfs/dbraw/zinc/31/35/52/566313552.db2.gz SJMKAUCXSZRCGP-UHFFFAOYSA-N 1 0 394.269 3.430 20 5 GGBDRO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[N@@H+]1CCCC[C@H]1C ZINC000445823053 566313926 /nfs/dbraw/zinc/31/39/26/566313926.db2.gz ZYOJQNAQCNBYKK-CHWSQXEVSA-N 1 0 398.301 3.279 20 5 GGBDRO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000600102502 566315799 /nfs/dbraw/zinc/31/57/99/566315799.db2.gz MNOMBMCEIQUCPD-LBPRGKRZSA-N 1 0 396.285 3.494 20 5 GGBDRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000600119636 566317345 /nfs/dbraw/zinc/31/73/45/566317345.db2.gz QZPLKYMLHKPSDL-ZDUSSCGKSA-N 1 0 396.285 3.209 20 5 GGBDRO Cc1c(Br)cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000509632386 566322358 /nfs/dbraw/zinc/32/23/58/566322358.db2.gz GUDQKLXWKPFPNF-KGLIPLIRSA-N 1 0 382.258 3.022 20 5 GGBDRO Cc1c(Br)cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000509632388 566322721 /nfs/dbraw/zinc/32/27/21/566322721.db2.gz GUDQKLXWKPFPNF-ZIAGYGMSSA-N 1 0 382.258 3.022 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000576286057 566331642 /nfs/dbraw/zinc/33/16/42/566331642.db2.gz HEBWKZHLMCZOMM-ZDUSSCGKSA-N 1 0 398.301 3.373 20 5 GGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2Cc2ccccc2Br)n1 ZINC000420980636 566334459 /nfs/dbraw/zinc/33/44/59/566334459.db2.gz XCICFLJQXMWSMS-AWEZNQCLSA-N 1 0 379.258 3.261 20 5 GGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000446273463 566339624 /nfs/dbraw/zinc/33/96/24/566339624.db2.gz AHOVHNCXIFMUCB-OCCSQVGLSA-N 1 0 398.301 3.231 20 5 GGBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000446273464 566340492 /nfs/dbraw/zinc/34/04/92/566340492.db2.gz AHOVHNCXIFMUCB-TZMCWYRMSA-N 1 0 398.301 3.231 20 5 GGBDRO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1Br)C[NH+]1CCCC1 ZINC000482950516 566344604 /nfs/dbraw/zinc/34/46/04/566344604.db2.gz SSLHBRVJQXJCLB-UHFFFAOYSA-N 1 0 384.274 3.209 20 5 GGBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000482956406 566344637 /nfs/dbraw/zinc/34/46/37/566344637.db2.gz GQXGEEORDZBKJD-LLVKDONJSA-N 1 0 393.241 3.432 20 5 GGBDRO Cc1ncsc1C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000576435939 566344932 /nfs/dbraw/zinc/34/49/32/566344932.db2.gz CGJLMIAYLCACJX-UHFFFAOYSA-N 1 0 389.218 3.254 20 5 GGBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cn1 ZINC000482961226 566346277 /nfs/dbraw/zinc/34/62/77/566346277.db2.gz NPYUCXHNRRXYBX-LLVKDONJSA-N 1 0 393.241 3.432 20 5 GGBDRO COc1ccc(OCC[NH2+][C@H](C)c2ccc(Br)cn2)c([N+](=O)[O-])c1 ZINC000482976418 566347172 /nfs/dbraw/zinc/34/71/72/566347172.db2.gz HSGMWMQHNYPACJ-LLVKDONJSA-N 1 0 396.241 3.491 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000509992747 566353462 /nfs/dbraw/zinc/35/34/62/566353462.db2.gz BDBFPHSKQKASLG-AWEZNQCLSA-N 1 0 396.285 3.366 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000509992748 566354076 /nfs/dbraw/zinc/35/40/76/566354076.db2.gz BDBFPHSKQKASLG-CQSZACIVSA-N 1 0 396.285 3.366 20 5 GGBDRO CC[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@@H](C)OC ZINC000462824225 566355035 /nfs/dbraw/zinc/35/50/35/566355035.db2.gz CUHMMWMDNVZOLI-SNVBAGLBSA-N 1 0 378.210 3.056 20 5 GGBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000462893651 566365847 /nfs/dbraw/zinc/36/58/47/566365847.db2.gz DOOJQSCKBFETGT-CYBMUJFWSA-N 1 0 389.253 3.356 20 5 GGBDRO Cc1c(Br)cc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000510479889 566386346 /nfs/dbraw/zinc/38/63/46/566386346.db2.gz QOTRLVWZQSMGDL-ZDUSSCGKSA-N 1 0 396.285 3.412 20 5 GGBDRO COC(C)(C)C[C@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000576932696 566391596 /nfs/dbraw/zinc/39/15/96/566391596.db2.gz RQGRIUNJCPUVNL-JTQLQIEISA-N 1 0 392.237 3.493 20 5 GGBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]Cc2cccc(O)c2)c1 ZINC000557537786 566394948 /nfs/dbraw/zinc/39/49/48/566394948.db2.gz OIROACRCPWFPEZ-UHFFFAOYSA-N 1 0 384.173 3.195 20 5 GGBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCCc2cccc(Cl)c2)cc1 ZINC000576979935 566394953 /nfs/dbraw/zinc/39/49/53/566394953.db2.gz IPBXYLQXASFEQS-UHFFFAOYSA-N 1 0 382.869 3.244 20 5 GGBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000557572845 566397294 /nfs/dbraw/zinc/39/72/94/566397294.db2.gz ADQOFYAUMUOHLQ-UHFFFAOYSA-N 1 0 384.274 3.305 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000421679730 566397782 /nfs/dbraw/zinc/39/77/82/566397782.db2.gz NIRZADMSZRYQOF-UHFFFAOYSA-N 1 0 384.274 3.268 20 5 GGBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC[N@@H+](C2CCC2)C1 ZINC000557836870 566426568 /nfs/dbraw/zinc/42/65/68/566426568.db2.gz CMQZNKKXYDYBFQ-LBPRGKRZSA-N 1 0 396.285 3.304 20 5 GGBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000558028020 566443602 /nfs/dbraw/zinc/44/36/02/566443602.db2.gz ZQRQVKRHHWVODI-HWWQOWPSSA-N 1 0 396.285 3.160 20 5 GGBDRO O=[N+]([O-])c1cc(Br)ccc1N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000577865611 566471376 /nfs/dbraw/zinc/47/13/76/566471376.db2.gz HVZZZOSABJUTSV-CQSZACIVSA-N 1 0 384.274 3.048 20 5 GGBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000602496996 566474012 /nfs/dbraw/zinc/47/40/12/566474012.db2.gz XWWAEOCUQVPUAZ-STQMWFEESA-N 1 0 396.285 3.209 20 5 GGBDRO C[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1cccnc1 ZINC000558459927 566474341 /nfs/dbraw/zinc/47/43/41/566474341.db2.gz HQVMVSWLBXRXEQ-JTQLQIEISA-N 1 0 383.189 3.445 20 5 GGBDRO O=[N+]([O-])c1sc(C[NH2+]CCCOC[C@H]2CCCO2)cc1Br ZINC000602514671 566476022 /nfs/dbraw/zinc/47/60/22/566476022.db2.gz UHXNMEZMGTUIOZ-SNVBAGLBSA-N 1 0 379.276 3.094 20 5 GGBDRO O=[N+]([O-])c1sc(C[NH2+]CCCOCC2CCOCC2)cc1Br ZINC000602560359 566477820 /nfs/dbraw/zinc/47/78/20/566477820.db2.gz STVJYWAUMOORBC-UHFFFAOYSA-N 1 0 393.303 3.342 20 5 GGBDRO O=[N+]([O-])c1sc(C[NH2+]CCCOC2CCOCC2)cc1Br ZINC000602550129 566478719 /nfs/dbraw/zinc/47/87/19/566478719.db2.gz HEHJYGCDMDUKIY-UHFFFAOYSA-N 1 0 379.276 3.094 20 5 GGBDRO O=[N+]([O-])c1ccc(CC[N@@H+](CCO)Cc2ccc(Br)s2)cc1 ZINC000485140162 566479183 /nfs/dbraw/zinc/47/91/83/566479183.db2.gz HKDTYDXXJQIAOQ-UHFFFAOYSA-N 1 0 385.283 3.456 20 5 GGBDRO CC(=O)NC1CCC([N@H+](C)Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602609094 566479507 /nfs/dbraw/zinc/47/95/07/566479507.db2.gz RFXUEAXADGZDEC-UHFFFAOYSA-N 1 0 390.303 3.298 20 5 GGBDRO O=[N+]([O-])c1sc(C[NH2+][C@H]2CCN(c3ccccn3)C2)cc1Br ZINC000602575413 566480589 /nfs/dbraw/zinc/48/05/89/566480589.db2.gz HHHFPOOCZTUDKX-JTQLQIEISA-N 1 0 383.271 3.182 20 5 GGBDRO C[NH+](C)CCOc1ccc(CNc2ncc([N+](=O)[O-])cc2Br)cc1 ZINC000485195957 566480736 /nfs/dbraw/zinc/48/07/36/566480736.db2.gz LCCVQEVRPVAPPW-UHFFFAOYSA-N 1 0 395.257 3.305 20 5 GGBDRO C[C@H]1C[N@H+](CCCNCc2cc(Br)c([N+](=O)[O-])s2)CCCO1 ZINC000602632379 566481384 /nfs/dbraw/zinc/48/13/84/566481384.db2.gz IMAHWYKYPYVZCG-NSHDSACASA-N 1 0 392.319 3.009 20 5 GGBDRO O=[N+]([O-])c1sc(C[NH2+]CCOCC(F)(F)C(F)F)cc1Br ZINC000602630738 566481532 /nfs/dbraw/zinc/48/15/32/566481532.db2.gz AUONEGRDVTVDFR-UHFFFAOYSA-N 1 0 395.172 3.425 20 5 GGBDRO C[C@@H]1C[N@H+](CCCNCc2cc(Br)c([N+](=O)[O-])s2)CCCO1 ZINC000602632376 566482016 /nfs/dbraw/zinc/48/20/16/566482016.db2.gz IMAHWYKYPYVZCG-LLVKDONJSA-N 1 0 392.319 3.009 20 5 GGBDRO C[NH+](C)CCN(Cc1cc(Br)c([N+](=O)[O-])s1)Cc1ccccn1 ZINC000602656027 566485797 /nfs/dbraw/zinc/48/57/97/566485797.db2.gz KXSMNCSRLKMALH-UHFFFAOYSA-N 1 0 399.314 3.378 20 5 GGBDRO C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602705293 566489890 /nfs/dbraw/zinc/48/98/90/566489890.db2.gz FQXTUDKCOZDWKB-QVLRFMQRSA-N 1 0 381.317 3.198 20 5 GGBDRO C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602705292 566489963 /nfs/dbraw/zinc/48/99/63/566489963.db2.gz FQXTUDKCOZDWKB-OEXNIHBPSA-N 1 0 381.317 3.198 20 5 GGBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000578131189 566495585 /nfs/dbraw/zinc/49/55/85/566495585.db2.gz JEYZAGBAJCCCML-OAHLLOKOSA-N 1 0 396.285 3.208 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000578227931 566503822 /nfs/dbraw/zinc/50/38/22/566503822.db2.gz VHPXVVVSJHGTDT-CYBMUJFWSA-N 1 0 396.285 3.412 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)NC(C)(C)CC[NH3+])cc2[N+](=O)[O-])n1 ZINC000424064194 566507293 /nfs/dbraw/zinc/50/72/93/566507293.db2.gz VOVYAHRHBSVQHX-UHFFFAOYSA-N 1 0 380.495 3.368 20 5 GGBDRO O=[N+]([O-])c1cc(Br)ccc1Cn1cc(CC[NH+]2CCCCC2)nn1 ZINC000603239828 566514361 /nfs/dbraw/zinc/51/43/61/566514361.db2.gz LCYXZBONJYBOOC-UHFFFAOYSA-N 1 0 394.273 3.026 20 5 GGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000449098247 566530171 /nfs/dbraw/zinc/53/01/71/566530171.db2.gz IEBQSQACFKEZOA-ZDUSSCGKSA-N 1 0 382.869 3.243 20 5 GGBDRO C[NH+](C)CCN(C1CCCCC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000465488811 566533087 /nfs/dbraw/zinc/53/30/87/566533087.db2.gz FEZGHBMFBHBMFZ-UHFFFAOYSA-N 1 0 389.905 3.133 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2ccc(Cl)cc2Cl)c1 ZINC000603824861 566541104 /nfs/dbraw/zinc/54/11/04/566541104.db2.gz MMYCXBBCXSLWKC-HNNXBMFYSA-N 1 0 385.247 3.474 20 5 GGBDRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000604031611 566550602 /nfs/dbraw/zinc/55/06/02/566550602.db2.gz LLAZONVNUNBSTF-UHFFFAOYSA-N 1 0 391.921 3.237 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000559563560 566556798 /nfs/dbraw/zinc/55/67/98/566556798.db2.gz NJIHRWRCIPSYMS-GFCCVEGCSA-N 1 0 384.274 3.222 20 5 GGBDRO C[NH+](C)CCN(C(=O)c1sc(Br)cc1[N+](=O)[O-])C1CCCC1 ZINC000486186098 566565699 /nfs/dbraw/zinc/56/56/99/566565699.db2.gz ILHDXZBSGNQFHL-UHFFFAOYSA-N 1 0 390.303 3.365 20 5 GGBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C[C@H]1[NH+](C)C ZINC000539357272 566577209 /nfs/dbraw/zinc/57/72/09/566577209.db2.gz WPIOUHTWLBPZAP-GDBMZVCRSA-N 1 0 383.539 3.213 20 5 GGBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C[C@H]1C ZINC000579137091 566582927 /nfs/dbraw/zinc/58/29/27/566582927.db2.gz BHLDUVOZYGVAPD-MNOVXSKESA-N 1 0 384.274 3.220 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+](CCO)C3CCSCC3)cs2)c1 ZINC000449687252 566594278 /nfs/dbraw/zinc/59/42/78/566594278.db2.gz OSEQKIVGIOOEBO-UHFFFAOYSA-N 1 0 379.507 3.408 20 5 GGBDRO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(Br)cc2[N+](=O)[O-])N1 ZINC000486606911 566603623 /nfs/dbraw/zinc/60/36/23/566603623.db2.gz VMPQNAJZVZVXCD-CYBMUJFWSA-N 1 0 387.197 3.204 20 5 GGBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC2(CC[NH2+]C2)CC1 ZINC000579573651 566620298 /nfs/dbraw/zinc/62/02/98/566620298.db2.gz MUYHBMLEHMADPB-UHFFFAOYSA-N 1 0 391.269 3.485 20 5 GGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000540179113 566634577 /nfs/dbraw/zinc/63/45/77/566634577.db2.gz MQDLTZNTOPBBLJ-RBSFLKMASA-N 1 0 386.539 3.411 20 5 GGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC000540190391 566634865 /nfs/dbraw/zinc/63/48/65/566634865.db2.gz UDMYWNNHKYZNMJ-NFOMZHRRSA-N 1 0 386.539 3.411 20 5 GGBDRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])C1(C)C ZINC000425451597 566645913 /nfs/dbraw/zinc/64/59/13/566645913.db2.gz VXSPTWMPSRURLK-ZBFHGGJFSA-N 1 0 387.274 3.013 20 5 GGBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000514542555 566653312 /nfs/dbraw/zinc/65/33/12/566653312.db2.gz DMKKEKOEBGSPSG-NWDGAFQWSA-N 1 0 389.905 3.098 20 5 GGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000579953907 566653659 /nfs/dbraw/zinc/65/36/59/566653659.db2.gz RQRQTOWOHNFITP-VIFPVBQESA-N 1 0 378.479 3.232 20 5 GGBDRO C[C@H](C[C@@H]1CCCO1)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000514636227 566658336 /nfs/dbraw/zinc/65/83/36/566658336.db2.gz SJAHDVDKUNHSPF-YGRLFVJLSA-N 1 0 390.221 3.247 20 5 GGBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000541052946 566690363 /nfs/dbraw/zinc/69/03/63/566690363.db2.gz CSEZMOPQRZWPAW-AWEZNQCLSA-N 1 0 381.226 3.059 20 5 GGBDRO C[C@@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000561335124 566695067 /nfs/dbraw/zinc/69/50/67/566695067.db2.gz LKXQTZZOVDPVKI-IUODEOHRSA-N 1 0 387.311 3.364 20 5 GGBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000468471220 566703876 /nfs/dbraw/zinc/70/38/76/566703876.db2.gz UDZOSBPBXLWNGI-HNNXBMFYSA-N 1 0 398.301 3.136 20 5 GGBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCc2ccccc2O)c1 ZINC000580564805 566703868 /nfs/dbraw/zinc/70/38/68/566703868.db2.gz RREVJKITTACIKK-UHFFFAOYSA-N 1 0 398.200 3.237 20 5 GGBDRO Cc1cc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])ccc1Br ZINC000515347448 566706684 /nfs/dbraw/zinc/70/66/84/566706684.db2.gz GXXIYYAVXMWJQI-AWEZNQCLSA-N 1 0 395.253 3.195 20 5 GGBDRO C[C@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000561527807 566715052 /nfs/dbraw/zinc/71/50/52/566715052.db2.gz SNRKTRDPNYYMHY-GFCCVEGCSA-N 1 0 396.285 3.304 20 5 GGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+](CCO)Cc2cccc(Br)c2)c1 ZINC000488227772 566715334 /nfs/dbraw/zinc/71/53/34/566715334.db2.gz GRFDORUZMMQMKO-UHFFFAOYSA-N 1 0 395.253 3.231 20 5 GGBDRO C[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000561527674 566715477 /nfs/dbraw/zinc/71/54/77/566715477.db2.gz LXTXOWZEMIEBLQ-LBPRGKRZSA-N 1 0 396.285 3.304 20 5 GGBDRO CC[NH+]1CCN(CC(C)(C)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000450921793 566720666 /nfs/dbraw/zinc/72/06/66/566720666.db2.gz KNQOTFDMVDKPCH-UHFFFAOYSA-N 1 0 385.306 3.185 20 5 GGBDRO Cc1c(Br)c(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000488764442 566746584 /nfs/dbraw/zinc/74/65/84/566746584.db2.gz LRNUWKQXJQMQHP-LLVKDONJSA-N 1 0 383.290 3.371 20 5 GGBDRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000516341626 566758001 /nfs/dbraw/zinc/75/80/01/566758001.db2.gz NJDNSXMOLGHCSU-UHFFFAOYSA-N 1 0 391.921 3.237 20 5 GGBDRO CC[N@H+](CCNC(=O)c1ccc(SC)c([N+](=O)[O-])c1)CCC(F)(F)F ZINC000427244614 566759162 /nfs/dbraw/zinc/75/91/62/566759162.db2.gz WGUFPGVBHKZODM-UHFFFAOYSA-N 1 0 379.404 3.321 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000489309439 566779502 /nfs/dbraw/zinc/77/95/02/566779502.db2.gz AHFAAEDYLYHINJ-HNNXBMFYSA-N 1 0 384.274 3.078 20 5 GGBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)[N@@H+]1CCCC[C@@H]1C ZINC000610040522 566800110 /nfs/dbraw/zinc/80/01/10/566800110.db2.gz ZAEVKFOTNGTSGQ-RYUDHWBXSA-N 1 0 384.274 3.350 20 5 GGBDRO C[C@H](Cc1ccc(Cl)cc1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542680759 566816678 /nfs/dbraw/zinc/81/66/78/566816678.db2.gz MWNDLLYTBVDAMP-CYBMUJFWSA-N 1 0 382.869 3.243 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ccc(Br)c(F)c2)c1 ZINC000581997909 566821884 /nfs/dbraw/zinc/82/18/84/566821884.db2.gz JHTRWAQXYZONMA-CYBMUJFWSA-N 1 0 399.216 3.026 20 5 GGBDRO O=[N+]([O-])c1cc(Br)ccc1N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000610489200 566836797 /nfs/dbraw/zinc/83/67/97/566836797.db2.gz LWEFVNPUCAYSNH-CQSZACIVSA-N 1 0 384.274 3.048 20 5 GGBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000610512576 566838009 /nfs/dbraw/zinc/83/80/09/566838009.db2.gz MFKMMAIRSRPGCO-CQSZACIVSA-N 1 0 391.269 3.463 20 5 GGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000563011907 566843550 /nfs/dbraw/zinc/84/35/50/566843550.db2.gz QSKHOFLSRMHYJU-CQSZACIVSA-N 1 0 385.247 3.474 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000428540550 566854372 /nfs/dbraw/zinc/85/43/72/566854372.db2.gz OAYLRKSBLBCEGU-CQSZACIVSA-N 1 0 379.254 3.298 20 5 GGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)cs1 ZINC000428545332 566856584 /nfs/dbraw/zinc/85/65/84/566856584.db2.gz VJZXQMDFZHDISG-LBPRGKRZSA-N 1 0 385.283 3.360 20 5 GGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](CO)Cc2ccccc2Br)c1 ZINC000428547534 566856976 /nfs/dbraw/zinc/85/69/76/566856976.db2.gz PHTLJCSEPQDFRV-CQSZACIVSA-N 1 0 379.254 3.298 20 5 GGBDRO COC(C)(C)C[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000518012319 566860132 /nfs/dbraw/zinc/86/01/32/566860132.db2.gz VOCDFRYNQPCYDK-UHFFFAOYSA-N 1 0 378.210 3.056 20 5 GGBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000610770006 566861049 /nfs/dbraw/zinc/86/10/49/566861049.db2.gz HQVLJXPNOIWQHE-HNNXBMFYSA-N 1 0 391.269 3.463 20 5 GGBDRO C[C@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000470365784 566868151 /nfs/dbraw/zinc/86/81/51/566868151.db2.gz SRVQYXUAPGWQQK-CYBMUJFWSA-N 1 0 382.869 3.415 20 5 GGBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](c2c(Cl)cccc2Cl)C2CC2)c1 ZINC000582515189 566868664 /nfs/dbraw/zinc/86/86/64/566868664.db2.gz DCRAKDIDFDQLED-MLGOLLRUSA-N 1 0 385.251 3.200 20 5 GGBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](c2c(Cl)cccc2Cl)C2CC2)c1 ZINC000582515190 566869319 /nfs/dbraw/zinc/86/93/19/566869319.db2.gz DCRAKDIDFDQLED-WBMJQRKESA-N 1 0 385.251 3.200 20 5 GGBDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000470444782 566873394 /nfs/dbraw/zinc/87/33/94/566873394.db2.gz HMCYQBCXRPJOJK-UHFFFAOYSA-N 1 0 379.258 3.321 20 5 GGBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(n3cc(Br)cn3)CC2)c1 ZINC000518314512 566876796 /nfs/dbraw/zinc/87/67/96/566876796.db2.gz JTZYIWGNKOVFBI-UHFFFAOYSA-N 1 0 395.257 3.270 20 5 GGBDRO O=C(CC(F)(F)F)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000543401539 566878367 /nfs/dbraw/zinc/87/83/67/566878367.db2.gz XVKHINAWBOBSMM-UHFFFAOYSA-N 1 0 379.766 3.281 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cc1[N+](=O)[O-] ZINC000611078487 566888092 /nfs/dbraw/zinc/88/80/92/566888092.db2.gz SFRUMTJYBFYLEY-CYBMUJFWSA-N 1 0 384.274 3.268 20 5 GGBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCc3cc(Cl)ccc32)cc1 ZINC000543593770 566892927 /nfs/dbraw/zinc/89/29/27/566892927.db2.gz KALXWUHXIDEYSJ-KRWDZBQOSA-N 1 0 380.853 3.299 20 5 GGBDRO CN(CCC[NH+]1CCCC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000543620069 566893627 /nfs/dbraw/zinc/89/36/27/566893627.db2.gz SJHORFLVWRITED-UHFFFAOYSA-N 1 0 396.296 3.008 20 5 GGBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000470685174 566894652 /nfs/dbraw/zinc/89/46/52/566894652.db2.gz XOHKCHGRWFXUAB-UHFFFAOYSA-N 1 0 386.290 3.470 20 5 GGBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000429005257 566899474 /nfs/dbraw/zinc/89/94/74/566899474.db2.gz RTQVUINIEQQJII-MRXNPFEDSA-N 1 0 399.216 3.198 20 5 GGBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]1C[NH+]1CCCC1 ZINC000582929618 566907213 /nfs/dbraw/zinc/90/72/13/566907213.db2.gz OGHJWOUVTDTCSY-AWEZNQCLSA-N 1 0 383.901 3.427 20 5 GGBDRO CSC1(CNc2ncc([N+](=O)[O-])c(C)c2Br)CC[NH+](C)CC1 ZINC000582936984 566907342 /nfs/dbraw/zinc/90/73/42/566907342.db2.gz HEFXFBJHJDNPSC-UHFFFAOYSA-N 1 0 389.319 3.300 20 5 GGBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000582929619 566907730 /nfs/dbraw/zinc/90/77/30/566907730.db2.gz OGHJWOUVTDTCSY-CQSZACIVSA-N 1 0 383.901 3.427 20 5 GGBDRO Cc1cc(CC(C)(C)[NH2+]CCn2cc([N+](=O)[O-])cn2)ccc1Br ZINC000429229159 566915615 /nfs/dbraw/zinc/91/56/15/566915615.db2.gz GLXYPGRWVOWVSJ-UHFFFAOYSA-N 1 0 381.274 3.473 20 5 GGBDRO Cc1cc(CC(C)(C)[NH2+]CCn2ccc([N+](=O)[O-])n2)ccc1Br ZINC000429243546 566916094 /nfs/dbraw/zinc/91/60/94/566916094.db2.gz GFCHRPQUTXKKNQ-UHFFFAOYSA-N 1 0 381.274 3.473 20 5 GGBDRO COc1cc(Br)c(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1O ZINC000583052265 566916541 /nfs/dbraw/zinc/91/65/41/566916541.db2.gz ZLWUEISIFFYJST-UHFFFAOYSA-N 1 0 396.241 3.037 20 5 GGBDRO COCC(C)(C)[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000429268176 566919265 /nfs/dbraw/zinc/91/92/65/566919265.db2.gz AFCSCJUOKYAFSZ-UHFFFAOYSA-N 1 0 378.210 3.056 20 5 GGBDRO CC1(C)Cc2ccc(Br)cc2[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000429287974 566920158 /nfs/dbraw/zinc/92/01/58/566920158.db2.gz VMEDWSYPNMKOQJ-OAHLLOKOSA-N 1 0 379.258 3.467 20 5 GGBDRO CC1(C)Cc2ccc(Br)cc2[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000429293835 566920753 /nfs/dbraw/zinc/92/07/53/566920753.db2.gz MJIBHVNXIJBCEH-OAHLLOKOSA-N 1 0 379.258 3.467 20 5 GGBDRO CC1(C)Cc2c(cccc2Br)[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000429393231 566928988 /nfs/dbraw/zinc/92/89/88/566928988.db2.gz JOBVLWFDWQHZNV-OAHLLOKOSA-N 1 0 379.258 3.467 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N[C@@H](C)C[C@H](C)[NH3+])cc2[N+](=O)[O-])n1 ZINC000564087304 566943022 /nfs/dbraw/zinc/94/30/22/566943022.db2.gz MNCGWFQGRNTTKF-UWVGGRQHSA-N 1 0 380.495 3.367 20 5 GGBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000544225358 566948568 /nfs/dbraw/zinc/94/85/68/566948568.db2.gz VUVXLSUDLHGBDU-ZDUSSCGKSA-N 1 0 383.901 3.473 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000452175100 566949087 /nfs/dbraw/zinc/94/90/87/566949087.db2.gz RTMCBMFXTNNQCW-NSHDSACASA-N 1 0 396.285 3.222 20 5 GGBDRO CCSc1cccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000472074781 566998426 /nfs/dbraw/zinc/99/84/26/566998426.db2.gz PAEUXACEKKECEX-UHFFFAOYSA-N 1 0 380.491 3.270 20 5 GGBDRO CC(C)CCSc1ccc(C(=O)N[C@@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000520580716 567014383 /nfs/dbraw/zinc/01/43/83/567014383.db2.gz IWGKWYLMIZYTNQ-LBPRGKRZSA-N 1 0 375.441 3.445 20 5 GGBDRO COc1ccc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)cc1 ZINC000584380035 567038711 /nfs/dbraw/zinc/03/87/11/567038711.db2.gz GYUWWDHBBXPLSO-UHFFFAOYSA-N 1 0 398.200 3.498 20 5 GGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000495059027 567041770 /nfs/dbraw/zinc/04/17/70/567041770.db2.gz LICTVYZNDGCSJN-GFCCVEGCSA-N 1 0 375.416 3.489 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCCCC1 ZINC000584483642 567047629 /nfs/dbraw/zinc/04/76/29/567047629.db2.gz XAZSTFGDVRKCIV-UHFFFAOYSA-N 1 0 384.274 3.272 20 5 GGBDRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000495432781 567060597 /nfs/dbraw/zinc/06/05/97/567060597.db2.gz LFXTWAXMHXBIBE-SNVBAGLBSA-N 1 0 387.665 3.428 20 5 GGBDRO COCC1(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCC1 ZINC000565393263 567064088 /nfs/dbraw/zinc/06/40/88/567064088.db2.gz XFGRQYFSWPVVFH-UHFFFAOYSA-N 1 0 390.221 3.106 20 5 GGBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCc2ccc(O)cc2)c1 ZINC000521519121 567064024 /nfs/dbraw/zinc/06/40/24/567064024.db2.gz FRKKWRMOIUJHMJ-UHFFFAOYSA-N 1 0 398.200 3.237 20 5 GGBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000431326703 567075273 /nfs/dbraw/zinc/07/52/73/567075273.db2.gz NSOBKBPDXLFRLF-ZDUSSCGKSA-N 1 0 396.285 3.161 20 5 GGBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CC=C(c3cccc(Br)c3)CC2)c1 ZINC000545880202 567085497 /nfs/dbraw/zinc/08/54/97/567085497.db2.gz XNXQNKMALPTXPF-UHFFFAOYSA-N 1 0 377.242 3.343 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431502854 567085981 /nfs/dbraw/zinc/08/59/81/567085981.db2.gz SLOWSKQIEVNGDT-LBPRGKRZSA-N 1 0 384.274 3.352 20 5 GGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000431500782 567086188 /nfs/dbraw/zinc/08/61/88/567086188.db2.gz TYSNWYSSMDUURM-FZMZJTMJSA-N 1 0 384.274 3.302 20 5 GGBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000431514193 567086209 /nfs/dbraw/zinc/08/62/09/567086209.db2.gz XPBICLAOUBHVRW-CYBMUJFWSA-N 1 0 396.285 3.161 20 5 GGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000431500784 567086273 /nfs/dbraw/zinc/08/62/73/567086273.db2.gz TYSNWYSSMDUURM-RISCZKNCSA-N 1 0 384.274 3.302 20 5 GGBDRO C[C@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000585808262 567091134 /nfs/dbraw/zinc/09/11/34/567091134.db2.gz LZTUVURAGGIPNS-JTQLQIEISA-N 1 0 385.262 3.209 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000431655902 567099005 /nfs/dbraw/zinc/09/90/05/567099005.db2.gz RFHGGIVFYBAPAR-MRXNPFEDSA-N 1 0 392.253 3.390 20 5 GGBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431954741 567120262 /nfs/dbraw/zinc/12/02/62/567120262.db2.gz ZMCCAVYTOGQHBO-CQSZACIVSA-N 1 0 384.274 3.352 20 5 GGBDRO O=C1[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCN1c1cccc(Br)c1 ZINC000432339545 567151892 /nfs/dbraw/zinc/15/18/92/567151892.db2.gz SRHQZAUDWNSTEF-MRXNPFEDSA-N 1 0 390.237 3.252 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2cc(Br)ccc2F)c1 ZINC000566632476 567174457 /nfs/dbraw/zinc/17/44/57/567174457.db2.gz FVWVYEHOOUUDOS-CQSZACIVSA-N 1 0 399.216 3.026 20 5 GGBDRO C[C@H](C[C@@H]1CCOC1)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589314599 567174584 /nfs/dbraw/zinc/17/45/84/567174584.db2.gz FJLVATFDOICVLH-MNOVXSKESA-N 1 0 390.221 3.104 20 5 GGBDRO Cc1ccc(CC[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)cn1 ZINC000589311489 567174713 /nfs/dbraw/zinc/17/47/13/567174713.db2.gz JIGGDWXMJPJEQJ-UHFFFAOYSA-N 1 0 397.216 3.235 20 5 GGBDRO C[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000589316931 567175514 /nfs/dbraw/zinc/17/55/14/567175514.db2.gz XSGVPKICHLZQGG-QMTHXVAHSA-N 1 0 390.221 3.247 20 5 GGBDRO C[C@@H](C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1ccncc1 ZINC000589315351 567175649 /nfs/dbraw/zinc/17/56/49/567175649.db2.gz LBYDNTLUAIQXOV-NSHDSACASA-N 1 0 397.216 3.488 20 5 GGBDRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000523908797 567176688 /nfs/dbraw/zinc/17/66/88/567176688.db2.gz QAZRCEITIBZRIW-ZDUSSCGKSA-N 1 0 389.905 3.181 20 5 GGBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000498550685 567186547 /nfs/dbraw/zinc/18/65/47/567186547.db2.gz QSUOGXCFBJJIRI-MNOVXSKESA-N 1 0 384.274 3.220 20 5 GGBDRO CCC[NH+](CCC)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000524410001 567197882 /nfs/dbraw/zinc/19/78/82/567197882.db2.gz FRLWGFSIWOLFEU-UHFFFAOYSA-N 1 0 377.894 3.039 20 5 GGBDRO O=[N+]([O-])c1cc(Br)cnc1N1CC[NH+](CCc2cccs2)CC1 ZINC000474788357 567199376 /nfs/dbraw/zinc/19/93/76/567199376.db2.gz ROAQRXHBOYXHKA-UHFFFAOYSA-N 1 0 397.298 3.179 20 5 GGBDRO C[N@H+](CCCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000524641086 567207582 /nfs/dbraw/zinc/20/75/82/567207582.db2.gz OOALTXPUUGUMSE-UHFFFAOYSA-N 1 0 389.905 3.181 20 5 GGBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)c(Br)c1 ZINC000590194006 567212900 /nfs/dbraw/zinc/21/29/00/567212900.db2.gz XDQKBMKTOIVWQV-JTQLQIEISA-N 1 0 384.205 3.009 20 5 GGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)n1 ZINC000433320750 567242715 /nfs/dbraw/zinc/24/27/15/567242715.db2.gz SWNBEZRSCUELPG-CQSZACIVSA-N 1 0 379.258 3.118 20 5 GGBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000525396703 567247318 /nfs/dbraw/zinc/24/73/18/567247318.db2.gz XHYPZTBAACORCF-VXGBXAGGSA-N 1 0 384.274 3.302 20 5 GGBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000567575585 567258191 /nfs/dbraw/zinc/25/81/91/567258191.db2.gz PPCCATGGABTTAZ-UHFFFAOYSA-N 1 0 389.283 3.256 20 5 GGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000591744596 567293641 /nfs/dbraw/zinc/29/36/41/567293641.db2.gz IDCHVXMCEZMWOO-ZDUSSCGKSA-N 1 0 385.247 3.474 20 5 GGBDRO Cc1cc(Br)ccc1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591735048 567293897 /nfs/dbraw/zinc/29/38/97/567293897.db2.gz XQKKGJFSICYNDN-OAHLLOKOSA-N 1 0 395.253 3.195 20 5 GGBDRO Cc1cc(Br)ccc1NC(=O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000500091926 567299197 /nfs/dbraw/zinc/29/91/97/567299197.db2.gz MYXBZHZPWDVFDY-UHFFFAOYSA-N 1 0 378.226 3.394 20 5 GGBDRO CC[NH+](CC)CCCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000568332958 567319528 /nfs/dbraw/zinc/31/95/28/567319528.db2.gz BIROFTANBKIYMV-UHFFFAOYSA-N 1 0 391.253 3.021 20 5 GGBDRO CC[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000568330464 567320004 /nfs/dbraw/zinc/32/00/04/567320004.db2.gz LCJFCUXHGOHUEM-AWEZNQCLSA-N 1 0 390.221 3.200 20 5 GGBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592256358 567325820 /nfs/dbraw/zinc/32/58/20/567325820.db2.gz YFHRZMKOQWPMIX-QWHCGFSZSA-N 1 0 396.285 3.209 20 5 GGBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000592552760 567345527 /nfs/dbraw/zinc/34/55/27/567345527.db2.gz VGUHLYHGCSQHQA-ZDUSSCGKSA-N 1 0 383.901 3.188 20 5 GGBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000568760777 567354690 /nfs/dbraw/zinc/35/46/90/567354690.db2.gz BDHVEJMBXKGROQ-OAHLLOKOSA-N 1 0 396.285 3.208 20 5 GGBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000568760775 567355129 /nfs/dbraw/zinc/35/51/29/567355129.db2.gz BDHVEJMBXKGROQ-HNNXBMFYSA-N 1 0 396.285 3.208 20 5 GGBDRO CCCN(C(=O)c1cc([N+](=O)[O-])cc(Br)c1C)[C@@H]1CC[N@H+](C)C1 ZINC000592829805 567368694 /nfs/dbraw/zinc/36/86/94/567368694.db2.gz ZUZSUDFPYYUUAM-GFCCVEGCSA-N 1 0 384.274 3.222 20 5 GGBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CC2CCSCC2)c1 ZINC000569040025 567375785 /nfs/dbraw/zinc/37/57/85/567375785.db2.gz QPNVGNSGNRABRY-UHFFFAOYSA-N 1 0 392.262 3.432 20 5 GGBDRO Cc1sc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000435632445 567381432 /nfs/dbraw/zinc/38/14/32/567381432.db2.gz OJRGFIRCLAFZDU-CQSZACIVSA-N 1 0 387.527 3.040 20 5 GGBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CC1 ZINC000456523678 567387861 /nfs/dbraw/zinc/38/78/61/567387861.db2.gz FOIXZFGFNPGSIF-LLVKDONJSA-N 1 0 384.274 3.222 20 5 GGBDRO CCCCOCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000569413542 567402329 /nfs/dbraw/zinc/40/23/29/567402329.db2.gz KTSMBOBHFOSEHA-UHFFFAOYSA-N 1 0 378.210 3.106 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCn1cc(Br)cn1)C1CC1 ZINC000569717848 567426607 /nfs/dbraw/zinc/42/66/07/567426607.db2.gz LTDAFKKFDJKBIG-OAHLLOKOSA-N 1 0 379.258 3.165 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000550220548 567436020 /nfs/dbraw/zinc/43/60/20/567436020.db2.gz OGJBGVZMRHARMV-NSHDSACASA-N 1 0 384.274 3.270 20 5 GGBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000457054860 567436332 /nfs/dbraw/zinc/43/63/32/567436332.db2.gz RDPJKZPJMOCEKE-UHFFFAOYSA-N 1 0 376.276 3.023 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000457090200 567438061 /nfs/dbraw/zinc/43/80/61/567438061.db2.gz LTVVBKZJGZTPGY-GFCCVEGCSA-N 1 0 384.274 3.220 20 5 GGBDRO Cc1c(Br)cc(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000457098280 567439280 /nfs/dbraw/zinc/43/92/80/567439280.db2.gz TWSDYTYYZRDPDC-CYBMUJFWSA-N 1 0 384.274 3.220 20 5 GGBDRO Cc1c(Br)cc(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000457098281 567439862 /nfs/dbraw/zinc/43/98/62/567439862.db2.gz TWSDYTYYZRDPDC-ZDUSSCGKSA-N 1 0 384.274 3.220 20 5 GGBDRO O=[N+]([O-])c1cc(I)cc(CNc2cc3c(c[nH+]2)CCC3)c1 ZINC000550306689 567440356 /nfs/dbraw/zinc/44/03/56/567440356.db2.gz IHBUJKUZENXUIN-UHFFFAOYSA-N 1 0 395.200 3.117 20 5 GGBDRO O=C(C[NH2+][C@@H]1CCCC[C@H]1OC(F)F)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000502562371 567442115 /nfs/dbraw/zinc/44/21/15/567442115.db2.gz ZIJSRICERASEAE-DGCLKSJQSA-N 1 0 377.775 3.327 20 5 GGBDRO C[N@H+](CCCCNC(=O)c1sc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000457166616 567445608 /nfs/dbraw/zinc/44/56/08/567445608.db2.gz LAJOHGCCOFDGIJ-UHFFFAOYSA-N 1 0 376.276 3.023 20 5 GGBDRO C[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000570087592 567456923 /nfs/dbraw/zinc/45/69/23/567456923.db2.gz RJUSCXJEZYNXJV-ZYHUDNBSSA-N 1 0 390.221 3.104 20 5 GGBDRO CC(C)COCCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000570087924 567457035 /nfs/dbraw/zinc/45/70/35/567457035.db2.gz HWSVETQLZGJUEA-UHFFFAOYSA-N 1 0 392.237 3.352 20 5 GGBDRO C[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000570087591 567457073 /nfs/dbraw/zinc/45/70/73/567457073.db2.gz RJUSCXJEZYNXJV-PWSUYJOCSA-N 1 0 390.221 3.104 20 5 GGBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000594195346 567464902 /nfs/dbraw/zinc/46/49/02/567464902.db2.gz FYYISTBJNDIIRA-LSDHHAIUSA-N 1 0 382.258 3.104 20 5 GGBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000594195343 567465189 /nfs/dbraw/zinc/46/51/89/567465189.db2.gz FYYISTBJNDIIRA-CABCVRRESA-N 1 0 382.258 3.104 20 5 GGBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1Br ZINC000594195748 567465436 /nfs/dbraw/zinc/46/54/36/567465436.db2.gz ISTVZVQQRCFKDQ-CABCVRRESA-N 1 0 382.258 3.104 20 5 GGBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000594389834 567473387 /nfs/dbraw/zinc/47/33/87/567473387.db2.gz OEBWDHKDFIHJCQ-UHFFFAOYSA-N 1 0 384.274 3.304 20 5 GGBDRO C[C@H](Cc1ccccn1)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000594517615 567483458 /nfs/dbraw/zinc/48/34/58/567483458.db2.gz KSEKFCGQXPHHCR-LLVKDONJSA-N 1 0 397.216 3.315 20 5 GGBDRO Cc1c(Br)cccc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000594570730 567486507 /nfs/dbraw/zinc/48/65/07/567486507.db2.gz YWQOMTPOHLBRCJ-AWEZNQCLSA-N 1 0 395.253 3.195 20 5 GGBDRO CSC1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC[NH+](C)CC1 ZINC000570735776 567509866 /nfs/dbraw/zinc/50/98/66/567509866.db2.gz XQEOICYZBCZVCY-UHFFFAOYSA-N 1 0 379.507 3.367 20 5 GGBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000458195006 567530575 /nfs/dbraw/zinc/53/05/75/567530575.db2.gz BQYVAHZLDVDCBO-UHFFFAOYSA-N 1 0 381.885 3.443 20 5 GGBDRO C[C@@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H]1CCC[NH3+] ZINC000595258141 567551700 /nfs/dbraw/zinc/55/17/00/567551700.db2.gz LIHBFWBMJIOPJE-IAQYHMDHSA-N 1 0 384.274 3.337 20 5 GGBDRO C[NH+](C)C[C@H]1CCCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000595346947 567556924 /nfs/dbraw/zinc/55/69/24/567556924.db2.gz YYMMTYUPKYEOEH-LLVKDONJSA-N 1 0 396.296 3.006 20 5 GGBDRO CC(C)[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000595481110 567566496 /nfs/dbraw/zinc/56/64/96/567566496.db2.gz CXZPBTJTGQGHOQ-RYUDHWBXSA-N 1 0 385.180 3.395 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(F)cc2Br)c1 ZINC000552226547 567568911 /nfs/dbraw/zinc/56/89/11/567568911.db2.gz HZRBJBISWIDYQC-AWEZNQCLSA-N 1 0 399.216 3.026 20 5 GGBDRO CC[C@@H](C)[NH2+][C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccco1 ZINC000571708575 567583496 /nfs/dbraw/zinc/58/34/96/567583496.db2.gz JJPGAGHNIABNIO-GHMZBOCLSA-N 1 0 387.483 3.194 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000505606618 567586519 /nfs/dbraw/zinc/58/65/19/567586519.db2.gz KMNOVZCYSHENBL-QGZVFWFLSA-N 1 0 396.285 3.224 20 5 GGBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595937794 567594254 /nfs/dbraw/zinc/59/42/54/567594254.db2.gz XCRVVAUXWFFPRB-ZDUSSCGKSA-N 1 0 396.285 3.209 20 5 GGBDRO CCN1CC[NH+](C[C@H](C)CNc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596081608 567607116 /nfs/dbraw/zinc/60/71/16/567607116.db2.gz IIIUXAZJXCXSHG-CYBMUJFWSA-N 1 0 385.306 3.043 20 5 GGBDRO CCCCOCCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000572051237 567609952 /nfs/dbraw/zinc/60/99/52/567609952.db2.gz CMZXXRRXMBJIFE-UHFFFAOYSA-N 1 0 392.237 3.496 20 5 GGBDRO O=[N+]([O-])c1cccc(Br)c1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000596130116 567610996 /nfs/dbraw/zinc/61/09/96/567610996.db2.gz MGXLWXHPXMXSRU-GFCCVEGCSA-N 1 0 384.274 3.270 20 5 GGBDRO CC(C)n1c(Sc2c(Cl)cncc2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000596131601 567611584 /nfs/dbraw/zinc/61/15/84/567611584.db2.gz QKPWDBRENMIYMW-JTQLQIEISA-N 1 0 382.877 3.434 20 5 GGBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000572348469 567632381 /nfs/dbraw/zinc/63/23/81/567632381.db2.gz MZPOTTTXLDVJJM-CJNGLKHVSA-N 1 0 384.274 3.080 20 5 GGBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000506730569 567641418 /nfs/dbraw/zinc/64/14/18/567641418.db2.gz ITZYHCRHROBDPO-QGZVFWFLSA-N 1 0 383.539 3.264 20 5 GGBDRO C[N@H+](Cc1ccccc1)C1CN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000553334210 567645006 /nfs/dbraw/zinc/64/50/06/567645006.db2.gz WIKRIVZLRNVRCE-UHFFFAOYSA-N 1 0 377.242 3.073 20 5 GGBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000553386792 567648865 /nfs/dbraw/zinc/64/88/65/567648865.db2.gz DUGVCBMMJXSJBP-UHFFFAOYSA-N 1 0 384.274 3.305 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459686506 567649931 /nfs/dbraw/zinc/64/99/31/567649931.db2.gz BUOZBPXICDZQNS-CYBMUJFWSA-N 1 0 397.244 3.437 20 5 GGBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)c1 ZINC000572631901 567653168 /nfs/dbraw/zinc/65/31/68/567653168.db2.gz LUWYHDPFWPVVSP-HNNXBMFYSA-N 1 0 385.247 3.474 20 5 GGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](CO)Cc2cc(F)cc(Br)c2)c1 ZINC000459709193 567653496 /nfs/dbraw/zinc/65/34/96/567653496.db2.gz TYDSUOLACNYFRD-AWEZNQCLSA-N 1 0 397.244 3.437 20 5 GGBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000507081864 567658271 /nfs/dbraw/zinc/65/82/71/567658271.db2.gz BVFQJVAIEMMBGA-GDBMZVCRSA-N 1 0 383.539 3.215 20 5 GGBDRO CC(C)(CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C[NH+]1CCCC1 ZINC000481562252 567687590 /nfs/dbraw/zinc/68/75/90/567687590.db2.gz AXTYLCOHCKWOMO-UHFFFAOYSA-N 1 0 398.301 3.138 20 5 GGBDRO CC[NH2+]CCCNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000573089853 567687677 /nfs/dbraw/zinc/68/76/77/567687677.db2.gz UFJNRMJWUTZFFP-UHFFFAOYSA-N 1 0 380.495 3.240 20 5 GGBDRO Cc1c(Br)cc(C(=O)NCC2(C)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000507573448 567688250 /nfs/dbraw/zinc/68/82/50/567688250.db2.gz FIAFUJDNMZABEE-UHFFFAOYSA-N 1 0 384.274 3.127 20 5 GGBDRO CSc1ccccc1[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000442858215 567712218 /nfs/dbraw/zinc/71/22/18/567712218.db2.gz RJQTWIJEJNPZCF-CYBMUJFWSA-N 1 0 380.491 3.441 20 5 GGBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000597860488 567721231 /nfs/dbraw/zinc/72/12/31/567721231.db2.gz NBZKEVGUJRGOLY-NSHDSACASA-N 1 0 384.274 3.208 20 5 GGBDRO Cc1c(Br)cc(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597922650 567724796 /nfs/dbraw/zinc/72/47/96/567724796.db2.gz JYRRLMBFGOJQHT-LBPRGKRZSA-N 1 0 384.274 3.268 20 5 GGBDRO CCC[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000443082913 567730462 /nfs/dbraw/zinc/73/04/62/567730462.db2.gz AZGGEOHAQVPWNI-INIZCTEOSA-N 1 0 383.495 3.066 20 5 GGBDRO C[N@H+](CC[C@H]1CCCO1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000573964750 567747805 /nfs/dbraw/zinc/74/78/05/567747805.db2.gz WBEBJQHLROKPAP-CQSZACIVSA-N 1 0 390.221 3.200 20 5 GGBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000598220548 567748034 /nfs/dbraw/zinc/74/80/34/567748034.db2.gz QMRCCCWBXFYZPY-CYBMUJFWSA-N 1 0 396.285 3.494 20 5 GGBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000598219439 567748243 /nfs/dbraw/zinc/74/82/43/567748243.db2.gz LXHWFUTVAGRIFY-GFCCVEGCSA-N 1 0 396.285 3.494 20 5 GGBDRO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000598219440 567748585 /nfs/dbraw/zinc/74/85/85/567748585.db2.gz LXHWFUTVAGRIFY-LBPRGKRZSA-N 1 0 396.285 3.494 20 5 GGBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000598266457 567752278 /nfs/dbraw/zinc/75/22/78/567752278.db2.gz YCBRPALFYKGWIZ-GFCCVEGCSA-N 1 0 384.274 3.208 20 5 GGBDRO COc1ccc(Br)cc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000554875728 567754363 /nfs/dbraw/zinc/75/43/63/567754363.db2.gz OYCVYQAIEFQNSA-UHFFFAOYSA-N 1 0 380.242 3.331 20 5 GGBDRO CC(C)[N@H+](C)C[C@@H](C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000574087241 567755206 /nfs/dbraw/zinc/75/52/06/567755206.db2.gz WTUCVXJPCCIGLE-LLVKDONJSA-N 1 0 391.253 3.018 20 5 GGBDRO C[C@H](Cc1ccncc1)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000554971505 567759820 /nfs/dbraw/zinc/75/98/20/567759820.db2.gz OTZJSPJSDNNRSC-LLVKDONJSA-N 1 0 397.216 3.315 20 5 GGBDRO COCCCCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000554978895 567761060 /nfs/dbraw/zinc/76/10/60/567761060.db2.gz PQXRUZJFVWRWSX-UHFFFAOYSA-N 1 0 378.210 3.106 20 5 GGBDRO CC(C)(CO)C(C)(C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000554972888 567761402 /nfs/dbraw/zinc/76/14/02/567761402.db2.gz YJNOYAZBWKXRRG-UHFFFAOYSA-N 1 0 392.237 3.086 20 5 GGBDRO CCN(CC)S(=O)(=O)c1ccc(SCC[NH+](CC)CC)c([N+](=O)[O-])c1 ZINC000462109420 567773649 /nfs/dbraw/zinc/77/36/49/567773649.db2.gz AFADAJGSQKXSKB-UHFFFAOYSA-N 1 0 389.543 3.059 20 5 GGBDRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000598562990 567777071 /nfs/dbraw/zinc/77/70/71/567777071.db2.gz YOXWCOWALBDOPA-CYBMUJFWSA-N 1 0 396.285 3.209 20 5 GGBDRO C[C@H]1C[C@H](C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCO1 ZINC000574488829 567781274 /nfs/dbraw/zinc/78/12/74/567781274.db2.gz JMMCVYWSKSGXMY-WDEREUQCSA-N 1 0 390.221 3.104 20 5 GGBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[NH+](C2CCCC2)CC1 ZINC000599017305 567802928 /nfs/dbraw/zinc/80/29/28/567802928.db2.gz OLYQTCRNCAEKCR-UHFFFAOYSA-N 1 0 382.258 3.058 20 5 GGBDRO C[C@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000599065298 567804614 /nfs/dbraw/zinc/80/46/14/567804614.db2.gz KBOZWYYJJVVFOZ-NWDGAFQWSA-N 1 0 384.274 3.350 20 5 GGBDRO C[C@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000599071144 567805263 /nfs/dbraw/zinc/80/52/63/567805263.db2.gz QYAPQMYXVLQYDJ-VXGBXAGGSA-N 1 0 384.274 3.208 20 5 GGBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599147911 567807771 /nfs/dbraw/zinc/80/77/71/567807771.db2.gz SZQZHORJQNZCJC-NEPJUHHUSA-N 1 0 384.274 3.208 20 5 GGBDRO COc1ccc([C@H](CNC(=O)c2cccc(C)c2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000012878132 570275112 /nfs/dbraw/zinc/27/51/12/570275112.db2.gz AWXGPDCVNHOTIU-IBGZPJMESA-N 1 0 383.448 3.479 20 5 GGBDRO CCC(CC)[C@@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000012561766 570866211 /nfs/dbraw/zinc/86/62/11/570866211.db2.gz FIVLSSMMUUMKDC-GOSISDBHSA-N 1 0 383.514 3.311 20 5 GGBDRO CC(C)(O)C[NH+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000252540530 570992503 /nfs/dbraw/zinc/99/25/03/570992503.db2.gz PKIXIKRIPXPWKE-UHFFFAOYSA-N 1 0 375.494 3.212 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cn2ccccc2c1-c1nn[nH]n1)C1CC1 ZINC000826499948 607524411 /nfs/dbraw/zinc/52/44/11/607524411.db2.gz FRAPHOBNGKIYCV-UHFFFAOYSA-N 1 0 389.419 3.192 20 5 GGBDRO C[NH+](C)[C@H](CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000821581751 606139518 /nfs/dbraw/zinc/13/95/18/606139518.db2.gz UOEQPMIKKLUOEB-MRXNPFEDSA-N 1 0 387.831 3.143 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000820760434 606470488 /nfs/dbraw/zinc/47/04/88/606470488.db2.gz QTAKPXHIEVHPSO-KDOFPFPSSA-N 1 0 393.451 3.097 20 5 GGBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824658249 609433017 /nfs/dbraw/zinc/43/30/17/609433017.db2.gz VFHYNVAXAWICHL-HOCLYGCPSA-N 1 0 393.451 3.097 20 5 GGBDRO Cn1cc(C(=O)NCC2([NH+](C)C)CCCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053029351 1406269010 /nfs/dbraw/zinc/26/90/10/1406269010.db2.gz JSOLDACYSPSCJR-UHFFFAOYSA-N 1 0 399.495 3.380 20 5 GGBDRO C[N@H+](CCCCc1ccccc1)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000053080371 1406283165 /nfs/dbraw/zinc/28/31/65/1406283165.db2.gz BXJFFEMDARCCDK-UHFFFAOYSA-N 1 0 385.420 3.217 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)NCC(C)(C)[NH+](C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000053117223 1406297653 /nfs/dbraw/zinc/29/76/53/1406297653.db2.gz JAEMRPNNNVUVTA-AWEZNQCLSA-N 1 0 385.468 3.233 20 5 GGBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000053324338 1406364947 /nfs/dbraw/zinc/36/49/47/1406364947.db2.gz ZSQKPVSYATWOHO-UHFFFAOYSA-N 1 0 383.448 3.063 20 5 GGBDRO C[N@@H+](Cc1ccccc1N1CCCC1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000053419985 1406389775 /nfs/dbraw/zinc/38/97/75/1406389775.db2.gz XVRHFXCTNBOYEK-LJQANCHMSA-N 1 0 385.464 3.067 20 5 GGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccsc1 ZINC000053501715 1406416527 /nfs/dbraw/zinc/41/65/27/1406416527.db2.gz GRFXTAHSOIKHEW-HNNXBMFYSA-N 1 0 391.449 3.198 20 5 GGBDRO Cn1cc(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053503806 1406417398 /nfs/dbraw/zinc/41/73/98/1406417398.db2.gz DLFHKXFTGKECSB-LJQANCHMSA-N 1 0 399.495 3.236 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)NCC[NH+]2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000053514621 1406421831 /nfs/dbraw/zinc/42/18/31/1406421831.db2.gz OSTJQFVRVHPRGG-MRXNPFEDSA-N 1 0 397.479 3.379 20 5 GGBDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)COc3ccc(C)cc3[N+](=O)[O-])CC2)cc1 ZINC000053572080 1406446739 /nfs/dbraw/zinc/44/67/39/1406446739.db2.gz VFVOAWCSXMUYKW-UHFFFAOYSA-N 1 0 397.475 3.325 20 5 GGBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000053721538 1406489239 /nfs/dbraw/zinc/48/92/39/1406489239.db2.gz KFBILSHOSBKAJK-UHFFFAOYSA-N 1 0 378.432 3.424 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000053811648 1406520303 /nfs/dbraw/zinc/52/03/03/1406520303.db2.gz CSQLSDOJIHLCLO-MRXNPFEDSA-N 1 0 399.495 3.380 20 5 GGBDRO COc1cccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)[NH+]2CCCC2)c1 ZINC000054056491 1406605228 /nfs/dbraw/zinc/60/52/28/1406605228.db2.gz OVWFURDCCSVKSP-IBGZPJMESA-N 1 0 387.411 3.309 20 5 GGBDRO CS(=O)(=O)c1ccc(N2CCC[N@H+](CC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000054124180 1406625065 /nfs/dbraw/zinc/62/50/65/1406625065.db2.gz IZBQKMSKGHAWLU-UHFFFAOYSA-N 1 0 395.525 3.091 20 5 GGBDRO C[C@@H]1CCC[C@](CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)([NH+](C)C)C1 ZINC000054140771 1406629917 /nfs/dbraw/zinc/62/99/17/1406629917.db2.gz SEGCESNBYQIMDR-VFNWGFHPSA-N 1 0 399.495 3.236 20 5 GGBDRO COc1cc(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000054260501 1406668453 /nfs/dbraw/zinc/66/84/53/1406668453.db2.gz CXKGMEIDKLDOOF-KBPBESRZSA-N 1 0 393.484 3.098 20 5 GGBDRO O=C(NC1CC1)c1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000054359410 1406700417 /nfs/dbraw/zinc/70/04/17/1406700417.db2.gz NSZKZXTYVVRPQD-SFHVURJKSA-N 1 0 380.448 3.173 20 5 GGBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000054647672 1406795834 /nfs/dbraw/zinc/79/58/34/1406795834.db2.gz LGEKYGXFZMDLOB-UHFFFAOYSA-N 1 0 396.491 3.410 20 5 GGBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000054727640 1406815305 /nfs/dbraw/zinc/81/53/05/1406815305.db2.gz IOTWPMMILAHMMN-HOTGVXAUSA-N 1 0 376.501 3.493 20 5 GGBDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054798265 1406827013 /nfs/dbraw/zinc/82/70/13/1406827013.db2.gz IJDKNSNCIUFDFM-UHFFFAOYSA-N 1 0 389.427 3.385 20 5 GGBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000055006595 1406868324 /nfs/dbraw/zinc/86/83/24/1406868324.db2.gz JQDVIBFKEMIUKM-MRXNPFEDSA-N 1 0 389.477 3.379 20 5 GGBDRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000006252162 1398539988 /nfs/dbraw/zinc/53/99/88/1398539988.db2.gz HRPBXUWKKIPUDD-SFHVURJKSA-N 1 0 384.436 3.329 20 5 GGBDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000006325218 1398542012 /nfs/dbraw/zinc/54/20/12/1398542012.db2.gz XNOBFLRHCQYJPU-UHFFFAOYSA-N 1 0 398.463 3.227 20 5 GGBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc(C[NH+]2CCCCC2)cc1 ZINC000009916819 1398870343 /nfs/dbraw/zinc/87/03/43/1398870343.db2.gz NVRWYEKBTPFWGB-UHFFFAOYSA-N 1 0 382.464 3.423 20 5 GGBDRO COc1cccc([C@@H](CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)[NH+]2CCCC2)c1 ZINC000010448511 1398893388 /nfs/dbraw/zinc/89/33/88/1398893388.db2.gz CLRDWQNJLFMBNK-LJQANCHMSA-N 1 0 399.447 3.179 20 5 GGBDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000010653096 1398907333 /nfs/dbraw/zinc/90/73/33/1398907333.db2.gz UTJQHPWCVURMII-UHFFFAOYSA-N 1 0 396.451 3.121 20 5 GGBDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000014651239 1399113594 /nfs/dbraw/zinc/11/35/94/1399113594.db2.gz RNRCSGDKZGPSKX-UHFFFAOYSA-N 1 0 395.463 3.269 20 5 GGBDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1 ZINC000014739045 1399117813 /nfs/dbraw/zinc/11/78/13/1399117813.db2.gz LRRZPNQHQKOCCM-UHFFFAOYSA-N 1 0 398.463 3.227 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccccc1 ZINC000014887644 1399124441 /nfs/dbraw/zinc/12/44/41/1399124441.db2.gz FAAPQQYZLBBGIZ-HXUWFJFHSA-N 1 0 382.464 3.228 20 5 GGBDRO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000015362004 1399157593 /nfs/dbraw/zinc/15/75/93/1399157593.db2.gz VFUWIFBNVXIAHY-UHFFFAOYSA-N 1 0 391.493 3.224 20 5 GGBDRO CCNc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000015564696 1399172216 /nfs/dbraw/zinc/17/22/16/1399172216.db2.gz AVMZQIZZHWWDIK-UHFFFAOYSA-N 1 0 382.464 3.421 20 5 GGBDRO CCOc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000016599685 1399252309 /nfs/dbraw/zinc/25/23/09/1399252309.db2.gz QDCCIHGCMVUEFP-KRWDZBQOSA-N 1 0 387.436 3.035 20 5 GGBDRO Cc1c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000017362945 1399281642 /nfs/dbraw/zinc/28/16/42/1399281642.db2.gz PENREFDUXQRHMO-UHFFFAOYSA-N 1 0 398.419 3.206 20 5 GGBDRO CC1CCN(c2ccc(C(=O)NCCC[NH+]3CCCCC3)cc2[N+](=O)[O-])CC1 ZINC000017812405 1399291356 /nfs/dbraw/zinc/29/13/56/1399291356.db2.gz OOUYMVLIQIJTRU-UHFFFAOYSA-N 1 0 388.512 3.437 20 5 GGBDRO C[NH+]1CCN(c2ccc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000023134119 1399534326 /nfs/dbraw/zinc/53/43/26/1399534326.db2.gz RGHXTDPIMGLHJX-UHFFFAOYSA-N 1 0 386.477 3.077 20 5 GGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC)Cc1ccccc1 ZINC000023197455 1399538323 /nfs/dbraw/zinc/53/83/23/1399538323.db2.gz MYJWOUAOUKWVLM-GOSISDBHSA-N 1 0 385.464 3.286 20 5 GGBDRO COc1ccccc1[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1C)[NH+]1CCCC1 ZINC000023694392 1399579833 /nfs/dbraw/zinc/57/98/33/1399579833.db2.gz LDRLDVJGCUIXGA-LJQANCHMSA-N 1 0 383.448 3.479 20 5 GGBDRO CC1CC[NH+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 ZINC000024316410 1399620256 /nfs/dbraw/zinc/62/02/56/1399620256.db2.gz IOCBVIVVGJSTLZ-UHFFFAOYSA-N 1 0 388.512 3.437 20 5 GGBDRO CCOC(=O)c1cc(C(=O)NCC2([NH+](C)C)CCCCCC2)cc([N+](=O)[O-])c1 ZINC000024583712 1399645570 /nfs/dbraw/zinc/64/55/70/1399645570.db2.gz PZUKOFVMZMHJAW-UHFFFAOYSA-N 1 0 391.468 3.156 20 5 GGBDRO O=C(CC[NH+]1CCC(C(=O)Nc2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000024856881 1399679807 /nfs/dbraw/zinc/67/98/07/1399679807.db2.gz FFWIWACTZLZSPN-UHFFFAOYSA-N 1 0 396.447 3.274 20 5 GGBDRO CC[NH+]1CCN(c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)c(C)c2)CC1 ZINC000025186671 1399765716 /nfs/dbraw/zinc/76/57/16/1399765716.db2.gz BKPGMVPCICTYQX-UHFFFAOYSA-N 1 0 398.463 3.063 20 5 GGBDRO O=c1[nH]cnc2cc(NCc3cccc(C[NH+]4CCCC4)c3)c([N+](=O)[O-])cc21 ZINC000025502920 1399814085 /nfs/dbraw/zinc/81/40/85/1399814085.db2.gz XLSIROFUIMHHMR-UHFFFAOYSA-N 1 0 379.420 3.039 20 5 GGBDRO C[C@H]1C[NH+](CCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@H](C)O1 ZINC000025973302 1399850506 /nfs/dbraw/zinc/85/05/06/1399850506.db2.gz OLZKLFTVRFIXCL-STQMWFEESA-N 1 0 377.466 3.039 20 5 GGBDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(OC)c1 ZINC000026225061 1399870920 /nfs/dbraw/zinc/87/09/20/1399870920.db2.gz NHQFLDLAENPYOM-UHFFFAOYSA-N 1 0 387.436 3.381 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000026227868 1399870949 /nfs/dbraw/zinc/87/09/49/1399870949.db2.gz IXCYDQLUNNDQTJ-UHFFFAOYSA-N 1 0 385.420 3.135 20 5 GGBDRO Cc1c(NC(=O)CC[N@@H+](C)Cc2ccc3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC000026227880 1399871551 /nfs/dbraw/zinc/87/15/51/1399871551.db2.gz PXTORFYSKCMXCE-UHFFFAOYSA-N 1 0 385.420 3.135 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN(c2ccccc2C)CC1 ZINC000026230029 1399871647 /nfs/dbraw/zinc/87/16/47/1399871647.db2.gz DZYGRDMJTVMTEN-UHFFFAOYSA-N 1 0 382.464 3.362 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN(Cc2ccsc2)CC1 ZINC000026336609 1399879082 /nfs/dbraw/zinc/87/90/82/1399879082.db2.gz PPACLSOOZTZLJN-UHFFFAOYSA-N 1 0 388.493 3.111 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN(Cc2ccsc2)CC1 ZINC000026336618 1399879109 /nfs/dbraw/zinc/87/91/09/1399879109.db2.gz QYCFLPFXOSXZMP-UHFFFAOYSA-N 1 0 388.493 3.111 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCOc1ccccc1C ZINC000026337218 1399879572 /nfs/dbraw/zinc/87/95/72/1399879572.db2.gz HFBXFWCEPGIHFG-UHFFFAOYSA-N 1 0 387.436 3.251 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH+](CCc2ccccc2)CC1 ZINC000026341202 1399880036 /nfs/dbraw/zinc/88/00/36/1399880036.db2.gz HDQBJGWLGBKBMX-UHFFFAOYSA-N 1 0 396.491 3.092 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(c3nc4ccccc4o3)CC2)c1 ZINC000026712897 1399924361 /nfs/dbraw/zinc/92/43/61/1399924361.db2.gz XIWAJFWCZBWOME-QGZVFWFLSA-N 1 0 397.431 3.355 20 5 GGBDRO CNc1ccc(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000027340517 1400022083 /nfs/dbraw/zinc/02/20/83/1400022083.db2.gz QCGQQHPPJSMASD-FQEVSTJZSA-N 1 0 398.463 3.212 20 5 GGBDRO CN1CC[N@H+](CCCNC(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000027349410 1400023768 /nfs/dbraw/zinc/02/37/68/1400023768.db2.gz ARRPPDOUCTUSTQ-HXUWFJFHSA-N 1 0 397.479 3.095 20 5 GGBDRO COc1ccc(C(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)cc1[N+](=O)[O-] ZINC000027391125 1400032539 /nfs/dbraw/zinc/03/25/39/1400032539.db2.gz LKDDGYRYLNLLOX-UHFFFAOYSA-N 1 0 383.448 3.260 20 5 GGBDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)COc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000027915823 1400105120 /nfs/dbraw/zinc/10/51/20/1400105120.db2.gz UVRMWBUCHNQSEM-UHFFFAOYSA-N 1 0 383.448 3.017 20 5 GGBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000027929893 1400106493 /nfs/dbraw/zinc/10/64/93/1400106493.db2.gz OPHLIHFWOOHWQG-UHFFFAOYSA-N 1 0 396.491 3.098 20 5 GGBDRO Cc1cccc(C[NH+]2CCN(c3ccc(C(=O)NC(C)C)cc3[N+](=O)[O-])CC2)c1 ZINC000028740559 1400190967 /nfs/dbraw/zinc/19/09/67/1400190967.db2.gz JMJBEBDJYZVJPY-UHFFFAOYSA-N 1 0 396.491 3.364 20 5 GGBDRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000029179598 1400255394 /nfs/dbraw/zinc/25/53/94/1400255394.db2.gz YZLADXVUBNGUAK-GOSISDBHSA-N 1 0 384.392 3.070 20 5 GGBDRO CC[NH+]1CCC(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000029606779 1400322347 /nfs/dbraw/zinc/32/23/47/1400322347.db2.gz AXFAMTAQKQGBRL-HOTGVXAUSA-N 1 0 388.512 3.291 20 5 GGBDRO CC(C)NC(=O)c1ccc(N2CCC[N@H+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000029685047 1400335906 /nfs/dbraw/zinc/33/59/06/1400335906.db2.gz FJFIKFAMAHUUHP-UHFFFAOYSA-N 1 0 396.491 3.445 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000030008116 1400397014 /nfs/dbraw/zinc/39/70/14/1400397014.db2.gz KNFNIOKFUMZAKP-GOSISDBHSA-N 1 0 389.477 3.019 20 5 GGBDRO CC(C)(C)OC(=O)NC1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055903733 1407127636 /nfs/dbraw/zinc/12/76/36/1407127636.db2.gz KZUVHEOJDBBYSL-UHFFFAOYSA-N 1 0 379.457 3.353 20 5 GGBDRO Cc1c(NC(=O)[C@@H](C)N2CC[NH+](CCC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000055933799 1407137839 /nfs/dbraw/zinc/13/78/39/1407137839.db2.gz ZPAAVEBMDGWGKG-MRXNPFEDSA-N 1 0 376.501 3.284 20 5 GGBDRO Cc1c(NC(=O)CCN2CC[NH+](CCC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000055933744 1407138232 /nfs/dbraw/zinc/13/82/32/1407138232.db2.gz DGDLXIFWZJIKPB-UHFFFAOYSA-N 1 0 376.501 3.286 20 5 GGBDRO CC(C)(C)CC[NH+]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000055936350 1407139825 /nfs/dbraw/zinc/13/98/25/1407139825.db2.gz PGRMACLRINDIIC-UHFFFAOYSA-N 1 0 382.892 3.241 20 5 GGBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000056066713 1407188795 /nfs/dbraw/zinc/18/87/95/1407188795.db2.gz JYCGBJGNLDBEFY-UHFFFAOYSA-N 1 0 378.432 3.471 20 5 GGBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000056196079 1407247316 /nfs/dbraw/zinc/24/73/16/1407247316.db2.gz WUTKOLALIBIZBK-HOTGVXAUSA-N 1 0 398.463 3.109 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056197453 1407247602 /nfs/dbraw/zinc/24/76/02/1407247602.db2.gz KKXYHXZFIGMUCI-NWDGAFQWSA-N 1 0 388.380 3.189 20 5 GGBDRO COC(=O)c1cc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc([N+](=O)[O-])c1 ZINC000056325937 1407297984 /nfs/dbraw/zinc/29/79/84/1407297984.db2.gz HLRDYHLLRKKNKN-UHFFFAOYSA-N 1 0 397.431 3.272 20 5 GGBDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000056332542 1407301175 /nfs/dbraw/zinc/30/11/75/1407301175.db2.gz YRNIMZXVCQXTDG-UHFFFAOYSA-N 1 0 379.420 3.362 20 5 GGBDRO C[C@H](NC(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000056382869 1407316138 /nfs/dbraw/zinc/31/61/38/1407316138.db2.gz VLKFQUKAQOYHPE-HOTGVXAUSA-N 1 0 382.464 3.402 20 5 GGBDRO CCC(CC)[C@H](CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000056385728 1407316890 /nfs/dbraw/zinc/31/68/90/1407316890.db2.gz FAPXYPVXQBKLBE-BEFAXECRSA-N 1 0 392.500 3.092 20 5 GGBDRO C[C@H](NC(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000056406686 1407322769 /nfs/dbraw/zinc/32/27/69/1407322769.db2.gz HNQIYZONJWTBBB-HNNXBMFYSA-N 1 0 383.452 3.015 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000043126944 1403712639 /nfs/dbraw/zinc/71/26/39/1403712639.db2.gz UXRINNDMVCJWLF-MRXNPFEDSA-N 1 0 376.388 3.167 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000043121897 1403713005 /nfs/dbraw/zinc/71/30/05/1403713005.db2.gz VDAGAPIQPXBFTH-UHFFFAOYSA-N 1 0 384.436 3.173 20 5 GGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000044384477 1403928800 /nfs/dbraw/zinc/92/88/00/1403928800.db2.gz OFTBAUZZLHFLDQ-INIZCTEOSA-N 1 0 377.466 3.478 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC2([NH+](C)C)CCCCCC2)cc1OC ZINC000045529724 1404139468 /nfs/dbraw/zinc/13/94/68/1404139468.db2.gz XZUWGYLDRYEWMC-UHFFFAOYSA-N 1 0 393.484 3.387 20 5 GGBDRO Cc1ccc(S(=O)(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1[N+](=O)[O-] ZINC000045812570 1404212641 /nfs/dbraw/zinc/21/26/41/1404212641.db2.gz VWLLKZOHTYVMIN-UHFFFAOYSA-N 1 0 395.525 3.180 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000046036140 1404281558 /nfs/dbraw/zinc/28/15/58/1404281558.db2.gz ZUWIUCWGWACNQB-UHFFFAOYSA-N 1 0 391.493 3.222 20 5 GGBDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000046120903 1404304846 /nfs/dbraw/zinc/30/48/46/1404304846.db2.gz AFECOWKDSSUGRI-UHFFFAOYSA-N 1 0 397.479 3.054 20 5 GGBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000046428494 1404411050 /nfs/dbraw/zinc/41/10/50/1404411050.db2.gz BHGOQIBAQJQCNK-UHFFFAOYSA-N 1 0 382.464 3.185 20 5 GGBDRO Cc1cc(C(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000046623121 1404515612 /nfs/dbraw/zinc/51/56/12/1404515612.db2.gz XSLGELSLQRMJCX-CALCHBBNSA-N 1 0 397.475 3.442 20 5 GGBDRO Cc1cccc(C(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000046623606 1404515839 /nfs/dbraw/zinc/51/58/39/1404515839.db2.gz IMOQAMLBUGNKQW-CALCHBBNSA-N 1 0 397.475 3.442 20 5 GGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000046762692 1404581842 /nfs/dbraw/zinc/58/18/42/1404581842.db2.gz AGKLNHGAGKNZMI-IAGOWNOFSA-N 1 0 376.501 3.494 20 5 GGBDRO CCOc1ccc(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000047038720 1404685095 /nfs/dbraw/zinc/68/50/95/1404685095.db2.gz BKOYLEWBTLRKCG-IYBDPMFKSA-N 1 0 377.485 3.481 20 5 GGBDRO C[C@@H]1CCC[N@H+](CCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000047146129 1404721777 /nfs/dbraw/zinc/72/17/77/1404721777.db2.gz DCABCOFPQHOXJH-QGZVFWFLSA-N 1 0 377.488 3.003 20 5 GGBDRO C[C@H]1CCC[N@H+](CCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000047146133 1404722011 /nfs/dbraw/zinc/72/20/11/1404722011.db2.gz DCABCOFPQHOXJH-KRWDZBQOSA-N 1 0 377.488 3.003 20 5 GGBDRO CC(=O)c1ccc(NCc2ccc(CN3CC[NH+](C)CC3)cc2)c([N+](=O)[O-])c1 ZINC000047272501 1404780464 /nfs/dbraw/zinc/78/04/64/1404780464.db2.gz WRTDNSSVPPYWOQ-UHFFFAOYSA-N 1 0 382.464 3.157 20 5 GGBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000047345084 1404811696 /nfs/dbraw/zinc/81/16/96/1404811696.db2.gz MEGNITKDGXBKOV-UHFFFAOYSA-N 1 0 389.843 3.429 20 5 GGBDRO CCOc1cc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000047416715 1404830389 /nfs/dbraw/zinc/83/03/89/1404830389.db2.gz DFDDGTXZDAKNBP-HUUCEWRRSA-N 1 0 393.484 3.100 20 5 GGBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000047608512 1404878442 /nfs/dbraw/zinc/87/84/42/1404878442.db2.gz QVFHENIRMKWHOT-UHFFFAOYSA-N 1 0 383.448 3.145 20 5 GGBDRO O=C(CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)Nc1ccccc1Cl ZINC000047745580 1404917821 /nfs/dbraw/zinc/91/78/21/1404917821.db2.gz HTZAZJDYXZRLAV-UHFFFAOYSA-N 1 0 388.855 3.399 20 5 GGBDRO C[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C[NH+]1CCCCC1 ZINC000048095618 1405053033 /nfs/dbraw/zinc/05/30/33/1405053033.db2.gz XKPOLGOYIJLNJM-GFCCVEGCSA-N 1 0 386.399 3.440 20 5 GGBDRO CC(C)C[C@@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])[NH+](C)C ZINC000048131965 1405068162 /nfs/dbraw/zinc/06/81/62/1405068162.db2.gz APGWVYZJGAWVOZ-LBPRGKRZSA-N 1 0 391.390 3.242 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000048267649 1405120447 /nfs/dbraw/zinc/12/04/47/1405120447.db2.gz SKUCERSVQIDJFT-GASCZTMLSA-N 1 0 393.484 3.100 20 5 GGBDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000048803278 1405294475 /nfs/dbraw/zinc/29/44/75/1405294475.db2.gz SAYDTGGUSSTXLX-UHFFFAOYSA-N 1 0 398.463 3.227 20 5 GGBDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000048849789 1405306841 /nfs/dbraw/zinc/30/68/41/1405306841.db2.gz HZLQWSVEPNFFBN-LJQANCHMSA-N 1 0 398.463 3.041 20 5 GGBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000050136786 1405496940 /nfs/dbraw/zinc/49/69/40/1405496940.db2.gz TZXKALQJVCNNDS-MRXNPFEDSA-N 1 0 388.493 3.368 20 5 GGBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[NH+](C2CCCC2)CC1 ZINC000050560701 1405603384 /nfs/dbraw/zinc/60/33/84/1405603384.db2.gz LUUWBIKZEJBCKB-UHFFFAOYSA-N 1 0 386.477 3.419 20 5 GGBDRO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000051406818 1405806016 /nfs/dbraw/zinc/80/60/16/1405806016.db2.gz KMIATSBBPYHMBB-INIZCTEOSA-N 1 0 384.354 3.485 20 5 GGBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000051469680 1405816278 /nfs/dbraw/zinc/81/62/78/1405816278.db2.gz VWDCNGZYKNSULP-MRXNPFEDSA-N 1 0 386.477 3.419 20 5 GGBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000051468856 1405816442 /nfs/dbraw/zinc/81/64/42/1405816442.db2.gz KHYDHQZUFSJHNJ-UHFFFAOYSA-N 1 0 376.482 3.378 20 5 GGBDRO COc1ccc(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000052159698 1405959394 /nfs/dbraw/zinc/95/93/94/1405959394.db2.gz WSYNQMWBGJLLDN-UHFFFAOYSA-N 1 0 375.469 3.074 20 5 GGBDRO CS(=O)(=O)c1ccc(NCc2ccccc2C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000052722915 1406139907 /nfs/dbraw/zinc/13/99/07/1406139907.db2.gz WODLMMSKFAZSHF-UHFFFAOYSA-N 1 0 389.477 3.206 20 5 GGBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000057004327 1407497449 /nfs/dbraw/zinc/49/74/49/1407497449.db2.gz QREOFJIBZIBKCG-UHFFFAOYSA-N 1 0 386.427 3.198 20 5 GGBDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000057230014 1407562331 /nfs/dbraw/zinc/56/23/31/1407562331.db2.gz XXWWDHMYDWQOCI-UHFFFAOYSA-N 1 0 388.493 3.168 20 5 GGBDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000057230007 1407562398 /nfs/dbraw/zinc/56/23/98/1407562398.db2.gz JPVQOMOALGOTEY-UHFFFAOYSA-N 1 0 388.493 3.168 20 5 GGBDRO C[NH+]1CCN(Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)CC1 ZINC000057273890 1407577161 /nfs/dbraw/zinc/57/71/61/1407577161.db2.gz NLEXZJJZFPJSBR-UHFFFAOYSA-N 1 0 388.855 3.248 20 5 GGBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)cc2[N+](=O)[O-])C1 ZINC000057553382 1407647854 /nfs/dbraw/zinc/64/78/54/1407647854.db2.gz UYUBMOXTSOEPEE-BFYDXBDKSA-N 1 0 386.496 3.044 20 5 GGBDRO C[C@H](CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000057715348 1407699064 /nfs/dbraw/zinc/69/90/64/1407699064.db2.gz BJQYDGFGHHRVMG-LLVKDONJSA-N 1 0 388.390 3.015 20 5 GGBDRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000057764729 1407711641 /nfs/dbraw/zinc/71/16/41/1407711641.db2.gz MCXGBVJBJCQHCN-UHFFFAOYSA-N 1 0 397.522 3.189 20 5 GGBDRO CNC(=O)c1ccc(NCC2CC[NH+](Cc3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000057854699 1407738755 /nfs/dbraw/zinc/73/87/55/1407738755.db2.gz ICSNYXDJJQTARU-UHFFFAOYSA-N 1 0 388.493 3.340 20 5 GGBDRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000058260286 1407803562 /nfs/dbraw/zinc/80/35/62/1407803562.db2.gz ZPUDJJPOALULIQ-UHFFFAOYSA-N 1 0 389.427 3.385 20 5 GGBDRO CCOC(=O)c1cc(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000058475451 1407834262 /nfs/dbraw/zinc/83/42/62/1407834262.db2.gz FWALFICKGMWBIV-SFHVURJKSA-N 1 0 391.468 3.012 20 5 GGBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000058500573 1407837358 /nfs/dbraw/zinc/83/73/58/1407837358.db2.gz WMPLMUOTADJRKM-RVKKMQEKSA-N 1 0 395.525 3.183 20 5 GGBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000059951286 1407931591 /nfs/dbraw/zinc/93/15/91/1407931591.db2.gz UISGIYLQYWLQFM-GOSISDBHSA-N 1 0 382.464 3.035 20 5 GGBDRO COc1ccc([C@@H](CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000060063741 1407936070 /nfs/dbraw/zinc/93/60/70/1407936070.db2.gz YLXCJZVSLYEUTH-HXUWFJFHSA-N 1 0 399.447 3.179 20 5 GGBDRO COc1ccc([C@H](CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000060063743 1407936480 /nfs/dbraw/zinc/93/64/80/1407936480.db2.gz YLXCJZVSLYEUTH-FQEVSTJZSA-N 1 0 399.447 3.179 20 5 GGBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@@H]1COc2ccccc2O1 ZINC000060089798 1407937274 /nfs/dbraw/zinc/93/72/74/1407937274.db2.gz GJCFKOGIGYCDFM-QGZVFWFLSA-N 1 0 399.447 3.394 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)c1 ZINC000060238641 1407948134 /nfs/dbraw/zinc/94/81/34/1407948134.db2.gz ZBZHHNFKDPIIJK-FQEVSTJZSA-N 1 0 383.448 3.479 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c1 ZINC000060355293 1407958976 /nfs/dbraw/zinc/95/89/76/1407958976.db2.gz XDWXATCSFQNMMP-UHFFFAOYSA-N 1 0 397.475 3.384 20 5 GGBDRO CC1CCN(c2ccc(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)cc2[N+](=O)[O-])CC1 ZINC000060722334 1408025014 /nfs/dbraw/zinc/02/50/14/1408025014.db2.gz RQVILZILMNZXNG-ROUUACIJSA-N 1 0 386.496 3.188 20 5 GGBDRO Cc1cc(NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060858683 1408043191 /nfs/dbraw/zinc/04/31/91/1408043191.db2.gz YBELUNYTSWDDLS-HOTGVXAUSA-N 1 0 385.468 3.271 20 5 GGBDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000060950179 1408055607 /nfs/dbraw/zinc/05/56/07/1408055607.db2.gz XEOIYMRZMOXHSG-SFHVURJKSA-N 1 0 391.493 3.265 20 5 GGBDRO O=[N+]([O-])c1cc(C[NH2+]CCN2CCOCC2)ccc1Oc1ccccc1Cl ZINC000061003309 1408063099 /nfs/dbraw/zinc/06/30/99/1408063099.db2.gz ACLVSUCTLXHWFC-UHFFFAOYSA-N 1 0 391.855 3.462 20 5 GGBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+]CCCN2CCOCC2)o1 ZINC000061002801 1408063360 /nfs/dbraw/zinc/06/33/60/1408063360.db2.gz QCXMVMDABUKXNE-UHFFFAOYSA-N 1 0 379.844 3.320 20 5 GGBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000061028909 1408068121 /nfs/dbraw/zinc/06/81/21/1408068121.db2.gz RMJPXDBXDOEQJW-UHFFFAOYSA-N 1 0 389.477 3.059 20 5 GGBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000061497648 1408137758 /nfs/dbraw/zinc/13/77/58/1408137758.db2.gz YXQMPEYLZVMEQB-SFHVURJKSA-N 1 0 386.452 3.333 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000062231197 1408221523 /nfs/dbraw/zinc/22/15/23/1408221523.db2.gz BWYZIUSVZKQDGI-QGZVFWFLSA-N 1 0 383.448 3.245 20 5 GGBDRO CCN(C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1)CC(F)(F)F ZINC000176398219 1428300736 /nfs/dbraw/zinc/30/07/36/1428300736.db2.gz FWTPKYLLSSMCEE-CYBMUJFWSA-N 1 0 375.391 3.310 20 5 GGBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000063069693 1408300809 /nfs/dbraw/zinc/30/08/09/1408300809.db2.gz REDOWMCCQRURKH-UHFFFAOYSA-N 1 0 382.464 3.367 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000063081880 1408302501 /nfs/dbraw/zinc/30/25/01/1408302501.db2.gz WHTWBBRFUPCHQM-UHFFFAOYSA-N 1 0 383.448 3.245 20 5 GGBDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000176409287 1428307502 /nfs/dbraw/zinc/30/75/02/1428307502.db2.gz IQRTVQFCENCSGS-UHFFFAOYSA-N 1 0 382.464 3.161 20 5 GGBDRO COc1ccc(C[NH+]2CCC(CNC(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000063263882 1408326176 /nfs/dbraw/zinc/32/61/76/1408326176.db2.gz DMWSVMLKJWVMKV-UHFFFAOYSA-N 1 0 397.475 3.174 20 5 GGBDRO O=C(CC[NH+]1CCC([C@@H](O)c2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000063491982 1408363677 /nfs/dbraw/zinc/36/36/77/1408363677.db2.gz CSYGGRACHJAOBX-NRFANRHFSA-N 1 0 383.448 3.369 20 5 GGBDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000063541947 1408369368 /nfs/dbraw/zinc/36/93/68/1408369368.db2.gz PGLJMNXAWVTLQB-UHFFFAOYSA-N 1 0 389.427 3.385 20 5 GGBDRO Cc1ccc(C[NH2+]Cc2ccc(CS(=O)(=O)NC(C)C)cc2)cc1[N+](=O)[O-] ZINC000063549816 1408370997 /nfs/dbraw/zinc/37/09/97/1408370997.db2.gz SDGAHOGRGWNWLZ-UHFFFAOYSA-N 1 0 391.493 3.021 20 5 GGBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000063582846 1408374331 /nfs/dbraw/zinc/37/43/31/1408374331.db2.gz NPGKKRZSUJIRLR-UHFFFAOYSA-N 1 0 397.479 3.119 20 5 GGBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000063582914 1408374425 /nfs/dbraw/zinc/37/44/25/1408374425.db2.gz LSIBKDNOBYKOOB-HNNXBMFYSA-N 1 0 385.468 3.021 20 5 GGBDRO Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)[NH+](C)C)cc1 ZINC000063586798 1408375402 /nfs/dbraw/zinc/37/54/02/1408375402.db2.gz KVYHOYUPTAXMNM-SFHVURJKSA-N 1 0 386.408 3.153 20 5 GGBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)c1ccco1 ZINC000063698558 1408392868 /nfs/dbraw/zinc/39/28/68/1408392868.db2.gz JYGDXLPZHHTIHH-MRXNPFEDSA-N 1 0 390.396 3.217 20 5 GGBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000063711069 1408394814 /nfs/dbraw/zinc/39/48/14/1408394814.db2.gz LWVBLJRSTVEESB-ZIAGYGMSSA-N 1 0 383.876 3.252 20 5 GGBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000063745577 1408399415 /nfs/dbraw/zinc/39/94/15/1408399415.db2.gz HDCBMIAOUPZBBN-UHFFFAOYSA-N 1 0 375.469 3.088 20 5 GGBDRO C[NH+]1CCN(Cc2ccc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)cc2)CC1 ZINC000063803097 1408416011 /nfs/dbraw/zinc/41/60/11/1408416011.db2.gz ZUZJWZPTDAQTCB-UHFFFAOYSA-N 1 0 393.447 3.076 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000063804220 1408416268 /nfs/dbraw/zinc/41/62/68/1408416268.db2.gz PGRCWEDREMDFRO-IBGZPJMESA-N 1 0 385.468 3.021 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000063804370 1408417255 /nfs/dbraw/zinc/41/72/55/1408417255.db2.gz YTHFCNMIHDCVGD-LJQANCHMSA-N 1 0 376.501 3.414 20 5 GGBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000176428358 1428317126 /nfs/dbraw/zinc/31/71/26/1428317126.db2.gz FWEBHALOIHAJPA-UHFFFAOYSA-N 1 0 381.476 3.351 20 5 GGBDRO Cn1ccnc1C(=O)c1ccc(NCC2([NH+](C)C)CCCCC2)c([N+](=O)[O-])c1 ZINC000064113115 1408485577 /nfs/dbraw/zinc/48/55/77/1408485577.db2.gz CNWOXIBZOZSLJB-UHFFFAOYSA-N 1 0 385.468 3.236 20 5 GGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000064113351 1408486035 /nfs/dbraw/zinc/48/60/35/1408486035.db2.gz XMCKVQVDIPERRX-HZPDHXFCSA-N 1 0 399.495 3.339 20 5 GGBDRO CCOc1ccc(C(=O)N2CC[NH+](CC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000064126278 1408490942 /nfs/dbraw/zinc/49/09/42/1408490942.db2.gz HMDLJPOSZLFSGK-UHFFFAOYSA-N 1 0 375.469 3.332 20 5 GGBDRO CCC[NH+]1CCC(N(C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000064309909 1408532180 /nfs/dbraw/zinc/53/21/80/1408532180.db2.gz GOAIXRZMWMWHLQ-UHFFFAOYSA-N 1 0 388.512 3.144 20 5 GGBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000064312839 1408532640 /nfs/dbraw/zinc/53/26/40/1408532640.db2.gz NTVRFADIWSZNPA-BBWFWOEESA-N 1 0 376.501 3.270 20 5 GGBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000064311358 1408532670 /nfs/dbraw/zinc/53/26/70/1408532670.db2.gz WLNYZPPXVTUBDN-MRXNPFEDSA-N 1 0 376.501 3.414 20 5 GGBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000064420347 1408551158 /nfs/dbraw/zinc/55/11/58/1408551158.db2.gz GYTKGRIWICDMCS-CYBMUJFWSA-N 1 0 391.855 3.394 20 5 GGBDRO C[N@H+](CCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CCCC1 ZINC000176477950 1428333362 /nfs/dbraw/zinc/33/33/62/1428333362.db2.gz VXDUPEMYWHOFGM-UHFFFAOYSA-N 1 0 390.484 3.022 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000064787843 1408612585 /nfs/dbraw/zinc/61/25/85/1408612585.db2.gz CCGRGLKXGBHAFH-INIZCTEOSA-N 1 0 397.479 3.379 20 5 GGBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)Cc1ccccc1 ZINC000064916241 1408628097 /nfs/dbraw/zinc/62/80/97/1408628097.db2.gz XAAWDYWRMSNYDR-UHFFFAOYSA-N 1 0 382.464 3.375 20 5 GGBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000065154328 1408648904 /nfs/dbraw/zinc/64/89/04/1408648904.db2.gz ODZNTNZJXGORMF-UHFFFAOYSA-N 1 0 387.484 3.221 20 5 GGBDRO CC[NH+](CC)CCn1ccc2cc(NC(=O)Cn3cc([N+](=O)[O-])nc3C)ccc21 ZINC000065316541 1408661087 /nfs/dbraw/zinc/66/10/87/1408661087.db2.gz PHZQDLVFABBDMV-UHFFFAOYSA-N 1 0 398.467 3.035 20 5 GGBDRO CCc1ccc([C@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1 ZINC000065511670 1408681217 /nfs/dbraw/zinc/68/12/17/1408681217.db2.gz DEDVYOXTJRLPFS-FQEVSTJZSA-N 1 0 384.480 3.302 20 5 GGBDRO C[N@H+](CCCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)Cc1ccccc1 ZINC000065720122 1408718030 /nfs/dbraw/zinc/71/80/30/1408718030.db2.gz JJODBPUPNBBJIN-UHFFFAOYSA-N 1 0 380.448 3.188 20 5 GGBDRO C[NH+](C)CCN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CCCCC1 ZINC000065746535 1408722828 /nfs/dbraw/zinc/72/28/28/1408722828.db2.gz LELNHDDZBTXZJV-UHFFFAOYSA-N 1 0 385.468 3.117 20 5 GGBDRO C[N@H+](Cc1ccccc1CNC(=O)CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000065817191 1408734784 /nfs/dbraw/zinc/73/47/84/1408734784.db2.gz ZESDKTNWZLIJNY-UHFFFAOYSA-N 1 0 399.495 3.262 20 5 GGBDRO CC(C)[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[NH+]1CCC(C)CC1 ZINC000065844329 1408740729 /nfs/dbraw/zinc/74/07/29/1408740729.db2.gz QSIIADXKTOEGRZ-FQEVSTJZSA-N 1 0 386.496 3.422 20 5 GGBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000065869126 1408745509 /nfs/dbraw/zinc/74/55/09/1408745509.db2.gz UHIZVZHZLSXBKE-UHFFFAOYSA-N 1 0 382.464 3.096 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccc(F)cc1 ZINC000065873786 1408746404 /nfs/dbraw/zinc/74/64/04/1408746404.db2.gz SDNRZZFJRPRAEH-IBGZPJMESA-N 1 0 384.411 3.108 20 5 GGBDRO Cc1ccc([C@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[NH+](C)C)cc1 ZINC000065901180 1408750953 /nfs/dbraw/zinc/75/09/53/1408750953.db2.gz KULXJDBNSMWFLD-FQEVSTJZSA-N 1 0 380.448 3.277 20 5 GGBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 ZINC000065909901 1408752608 /nfs/dbraw/zinc/75/26/08/1408752608.db2.gz YOAWLMXQUYIZFX-UHFFFAOYSA-N 1 0 395.419 3.219 20 5 GGBDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000065937496 1408757964 /nfs/dbraw/zinc/75/79/64/1408757964.db2.gz PGAPMYDTBOHERW-UHFFFAOYSA-N 1 0 381.354 3.216 20 5 GGBDRO COc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000065937242 1408758022 /nfs/dbraw/zinc/75/80/22/1408758022.db2.gz JAJNZMFYBKRWPD-UHFFFAOYSA-N 1 0 391.855 3.461 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000065937512 1408758065 /nfs/dbraw/zinc/75/80/65/1408758065.db2.gz RQUVFQFCSLEKTP-UHFFFAOYSA-N 1 0 377.391 3.385 20 5 GGBDRO COc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000065938233 1408758859 /nfs/dbraw/zinc/75/88/59/1408758859.db2.gz JFSIQXCWIXXTIE-UHFFFAOYSA-N 1 0 393.390 3.086 20 5 GGBDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000065938798 1408759190 /nfs/dbraw/zinc/75/91/90/1408759190.db2.gz LZEDBMKLVPUJAG-UHFFFAOYSA-N 1 0 377.391 3.385 20 5 GGBDRO Cn1cnc([N+](=O)[O-])c1N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000065945209 1408760888 /nfs/dbraw/zinc/76/08/88/1408760888.db2.gz AGSGDFOFLOKYOU-UHFFFAOYSA-N 1 0 397.401 3.448 20 5 GGBDRO CCOc1cc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1OCC ZINC000066158554 1408785674 /nfs/dbraw/zinc/78/56/74/1408785674.db2.gz CYWYNVGKGXGPGB-CQSZACIVSA-N 1 0 392.456 3.094 20 5 GGBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000066434531 1408836955 /nfs/dbraw/zinc/83/69/55/1408836955.db2.gz WBBBBWQDRQFTPW-UHFFFAOYSA-N 1 0 391.493 3.256 20 5 GGBDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000066676388 1408882705 /nfs/dbraw/zinc/88/27/05/1408882705.db2.gz IUBKMKDKJDZKEE-UHFFFAOYSA-N 1 0 382.464 3.161 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCC[N@H+](C)C2CC2)cc1 ZINC000066924110 1408952957 /nfs/dbraw/zinc/95/29/57/1408952957.db2.gz VULIAQOQKWERCX-UHFFFAOYSA-N 1 0 385.420 3.220 20 5 GGBDRO COc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C)[NH+]2CCCC2)cc1 ZINC000067024064 1408984201 /nfs/dbraw/zinc/98/42/01/1408984201.db2.gz RJOOBOUQXKGLPP-HXUWFJFHSA-N 1 0 383.448 3.479 20 5 GGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000067064775 1408997819 /nfs/dbraw/zinc/99/78/19/1408997819.db2.gz QFZJCRFYZSJPHR-UHFFFAOYSA-N 1 0 384.480 3.431 20 5 GGBDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000176579073 1428368890 /nfs/dbraw/zinc/36/88/90/1428368890.db2.gz HNSHLHCEVCAFAO-CRAIPNDOSA-N 1 0 383.448 3.386 20 5 GGBDRO COc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000176579103 1428369383 /nfs/dbraw/zinc/36/93/83/1428369383.db2.gz HNSHLHCEVCAFAO-QAPCUYQASA-N 1 0 383.448 3.386 20 5 GGBDRO CC(C)C[NH+]1CCC(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000067265241 1409058528 /nfs/dbraw/zinc/05/85/28/1409058528.db2.gz CXTVKJGYCNHUBY-UHFFFAOYSA-N 1 0 391.515 3.391 20 5 GGBDRO COc1ccc(CSCC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000067270879 1409059780 /nfs/dbraw/zinc/05/97/80/1409059780.db2.gz PORZZMBBKJECFJ-HNNXBMFYSA-N 1 0 395.525 3.073 20 5 GGBDRO C[C@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[NH+]1CCC(C)CC1 ZINC000067272611 1409060331 /nfs/dbraw/zinc/06/03/31/1409060331.db2.gz DKHHNOACELCMQX-QGZVFWFLSA-N 1 0 388.512 3.048 20 5 GGBDRO C[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[NH+]1CCC(C)CC1 ZINC000067271540 1409060353 /nfs/dbraw/zinc/06/03/53/1409060353.db2.gz SUSNAFRPWOFGEV-GOSISDBHSA-N 1 0 391.515 3.391 20 5 GGBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000067286931 1409064385 /nfs/dbraw/zinc/06/43/85/1409064385.db2.gz YXCWZNMUAQFZHW-UHFFFAOYSA-N 1 0 382.464 3.309 20 5 GGBDRO CNC(=O)c1ccc(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000067384750 1409096114 /nfs/dbraw/zinc/09/61/14/1409096114.db2.gz VIOLJLLKSRJOIW-QGZVFWFLSA-N 1 0 382.464 3.279 20 5 GGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000067386916 1409096712 /nfs/dbraw/zinc/09/67/12/1409096712.db2.gz UOUZVUDQSJRZCD-MRXNPFEDSA-N 1 0 385.468 3.171 20 5 GGBDRO COc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000067452351 1409122619 /nfs/dbraw/zinc/12/26/19/1409122619.db2.gz YLXJGMKYFALFHX-RDTXWAMCSA-N 1 0 399.447 3.377 20 5 GGBDRO COc1ccc(C[N@@H+]2CCCN(C(=O)NCc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000067536281 1409151275 /nfs/dbraw/zinc/15/12/75/1409151275.db2.gz VSLMVKXFVMDGOW-UHFFFAOYSA-N 1 0 398.463 3.021 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000067543627 1409153639 /nfs/dbraw/zinc/15/36/39/1409153639.db2.gz RXVRLHCHQLBBFX-MJGOQNOKSA-N 1 0 381.432 3.360 20 5 GGBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000067773838 1409227375 /nfs/dbraw/zinc/22/73/75/1409227375.db2.gz RQHZJVSIEWWZKM-UHFFFAOYSA-N 1 0 382.464 3.306 20 5 GGBDRO COc1cccc([C@@H](CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000067785746 1409231554 /nfs/dbraw/zinc/23/15/54/1409231554.db2.gz QDCRIBUAKVDGKW-HXUWFJFHSA-N 1 0 399.447 3.179 20 5 GGBDRO COc1ccc(CC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000067791975 1409231978 /nfs/dbraw/zinc/23/19/78/1409231978.db2.gz KFSCSDBUELCAHN-KRWDZBQOSA-N 1 0 387.436 3.082 20 5 GGBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000067793894 1409232781 /nfs/dbraw/zinc/23/27/81/1409232781.db2.gz BZZDMUAAXAVMJA-SFHVURJKSA-N 1 0 383.448 3.145 20 5 GGBDRO COc1ccc(CC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000067801692 1409233815 /nfs/dbraw/zinc/23/38/15/1409233815.db2.gz GDEVRFUILQJHSR-UHFFFAOYSA-N 1 0 397.475 3.099 20 5 GGBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000067812716 1409236792 /nfs/dbraw/zinc/23/67/92/1409236792.db2.gz CMTBQNWIFJWLKW-LJQANCHMSA-N 1 0 396.447 3.486 20 5 GGBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000176635024 1428386317 /nfs/dbraw/zinc/38/63/17/1428386317.db2.gz LDVTWPVDZZECAP-DOTOQJQBSA-N 1 0 390.484 3.020 20 5 GGBDRO C[NH+](C)CCN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000067869723 1409246540 /nfs/dbraw/zinc/24/65/40/1409246540.db2.gz OXHCBIQCGLTATL-UHFFFAOYSA-N 1 0 385.468 3.117 20 5 GGBDRO COc1ccc(CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000067901725 1409252720 /nfs/dbraw/zinc/25/27/20/1409252720.db2.gz HFVAVHWPTVNOQE-IBGZPJMESA-N 1 0 383.448 3.099 20 5 GGBDRO COc1ccc(CC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000067902633 1409252766 /nfs/dbraw/zinc/25/27/66/1409252766.db2.gz KGNUQDGBUZAIIU-UHFFFAOYSA-N 1 0 383.448 3.058 20 5 GGBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000067901863 1409252815 /nfs/dbraw/zinc/25/28/15/1409252815.db2.gz LEJQXZYYFCYHNT-UHFFFAOYSA-N 1 0 385.464 3.304 20 5 GGBDRO CC[NH+](CC)[C@H](CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccsc1 ZINC000067906753 1409253683 /nfs/dbraw/zinc/25/36/83/1409253683.db2.gz YEILLHAANTZPTF-QGZVFWFLSA-N 1 0 391.493 3.407 20 5 GGBDRO COc1ccc(CC(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000067923522 1409256445 /nfs/dbraw/zinc/25/64/45/1409256445.db2.gz LWZCUVIPKPKYDS-KRWDZBQOSA-N 1 0 387.436 3.001 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000067962252 1409264835 /nfs/dbraw/zinc/26/48/35/1409264835.db2.gz ZJMADHLOUVSKME-UHFFFAOYSA-N 1 0 396.491 3.440 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1 ZINC000068014978 1409277692 /nfs/dbraw/zinc/27/76/92/1409277692.db2.gz VRRGUESFHIBIDX-MRXNPFEDSA-N 1 0 377.466 3.153 20 5 GGBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000068085187 1409295634 /nfs/dbraw/zinc/29/56/34/1409295634.db2.gz HHVDXKBPZBSFBP-ZDUSSCGKSA-N 1 0 378.429 3.053 20 5 GGBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000068085489 1409295908 /nfs/dbraw/zinc/29/59/08/1409295908.db2.gz IESBBWHJKMSNCX-KBPBESRZSA-N 1 0 392.456 3.299 20 5 GGBDRO COc1ccc(CC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1[N+](=O)[O-] ZINC000068130610 1409310061 /nfs/dbraw/zinc/31/00/61/1409310061.db2.gz DJJRPMXJUYBGMC-UHFFFAOYSA-N 1 0 389.496 3.261 20 5 GGBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000068134889 1409311561 /nfs/dbraw/zinc/31/15/61/1409311561.db2.gz RLLFDPGVCLRONF-SFHVURJKSA-N 1 0 386.496 3.286 20 5 GGBDRO COc1ccc(CSCC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000068210994 1409330320 /nfs/dbraw/zinc/33/03/20/1409330320.db2.gz ZWVOGLSTKSNQCG-HUUCEWRRSA-N 1 0 395.525 3.073 20 5 GGBDRO CC(C)[NH+]1CCC(N(C)C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000068265450 1409345144 /nfs/dbraw/zinc/34/51/44/1409345144.db2.gz UDBBJCJHMBKRSD-CYBMUJFWSA-N 1 0 383.876 3.347 20 5 GGBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000068265550 1409345759 /nfs/dbraw/zinc/34/57/59/1409345759.db2.gz RQLJMJNXBOIESA-CXAGYDPISA-N 1 0 391.855 3.435 20 5 GGBDRO Cc1cc(Cl)c(S(=O)(=O)NCc2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000176667027 1428397902 /nfs/dbraw/zinc/39/79/02/1428397902.db2.gz JSPRWIRXTHKJCU-UHFFFAOYSA-N 1 0 397.884 3.097 20 5 GGBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1 ZINC000068387599 1409387230 /nfs/dbraw/zinc/38/72/30/1409387230.db2.gz MZSRZAYZQPJUMG-CQSZACIVSA-N 1 0 399.447 3.225 20 5 GGBDRO Cc1cc(Cl)c(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000176674993 1428400862 /nfs/dbraw/zinc/40/08/62/1428400862.db2.gz NHRCEMWNAVRSLC-UHFFFAOYSA-N 1 0 389.905 3.098 20 5 GGBDRO CCCC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000068442055 1409403833 /nfs/dbraw/zinc/40/38/33/1409403833.db2.gz VBKPDDRJIKVAPY-CYBMUJFWSA-N 1 0 383.876 3.396 20 5 GGBDRO Cc1ccc(NC(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000068555189 1409437874 /nfs/dbraw/zinc/43/78/74/1409437874.db2.gz BATYSNCBVYITPL-HOTGVXAUSA-N 1 0 390.484 3.256 20 5 GGBDRO CCCc1n[nH]c(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000068775773 1409489784 /nfs/dbraw/zinc/48/97/84/1409489784.db2.gz OJIVSXAUQQJLQT-UHFFFAOYSA-N 1 0 385.468 3.186 20 5 GGBDRO O=C(CCN1CCC[N@H+](Cc2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000068967056 1409535335 /nfs/dbraw/zinc/53/53/35/1409535335.db2.gz NWWKSJPYXXKHCO-UHFFFAOYSA-N 1 0 382.464 3.131 20 5 GGBDRO CC(C)[NH+](CCNC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2F)CC1)C(C)C ZINC000068997089 1409539937 /nfs/dbraw/zinc/53/99/37/1409539937.db2.gz XDAKGLJGMDDPCC-UHFFFAOYSA-N 1 0 394.491 3.185 20 5 GGBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000069001591 1409540486 /nfs/dbraw/zinc/54/04/86/1409540486.db2.gz UBHRVXDZPNCHSL-INIZCTEOSA-N 1 0 399.495 3.181 20 5 GGBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000069046016 1409552655 /nfs/dbraw/zinc/55/26/55/1409552655.db2.gz LWVBLJRSTVEESB-KGLIPLIRSA-N 1 0 383.876 3.252 20 5 GGBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000069138918 1409575081 /nfs/dbraw/zinc/57/50/81/1409575081.db2.gz HQUVCTAEDXCIGR-KRWDZBQOSA-N 1 0 377.488 3.003 20 5 GGBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000069369070 1409623958 /nfs/dbraw/zinc/62/39/58/1409623958.db2.gz AFHJATHYIIKLDR-WBVHZDCISA-N 1 0 385.489 3.466 20 5 GGBDRO COc1cc(C[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)ccc1SC ZINC000069687715 1409676005 /nfs/dbraw/zinc/67/60/05/1409676005.db2.gz OZLPRRARHLDFLZ-MRXNPFEDSA-N 1 0 392.477 3.197 20 5 GGBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000070826881 1409785714 /nfs/dbraw/zinc/78/57/14/1409785714.db2.gz DNDICGVLAZTWJY-UHFFFAOYSA-N 1 0 397.479 3.119 20 5 GGBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000176719896 1428432088 /nfs/dbraw/zinc/43/20/88/1428432088.db2.gz PHTWEYAWJXDPPJ-WMZOPIPTSA-N 1 0 396.491 3.444 20 5 GGBDRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000071885351 1409828955 /nfs/dbraw/zinc/82/89/55/1409828955.db2.gz PKSFALQOHKSZIV-UHFFFAOYSA-N 1 0 385.468 3.390 20 5 GGBDRO C[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[N@@H+]1CCC[C@@H](C)C1 ZINC000071942912 1409831951 /nfs/dbraw/zinc/83/19/51/1409831951.db2.gz RIMZDRFGFUKEPI-NEPJUHHUSA-N 1 0 386.399 3.438 20 5 GGBDRO CC1CC[NH+]([C@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000072006500 1409836422 /nfs/dbraw/zinc/83/64/22/1409836422.db2.gz IQUWDINHYPBPQL-HXUWFJFHSA-N 1 0 382.464 3.380 20 5 GGBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@@H](c1ccccc1)[NH+](C)C ZINC000072048143 1409841448 /nfs/dbraw/zinc/84/14/48/1409841448.db2.gz JWAHHMXMZQZCAV-INIZCTEOSA-N 1 0 388.380 3.004 20 5 GGBDRO Cc1cc(C(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000072054320 1409842227 /nfs/dbraw/zinc/84/22/27/1409842227.db2.gz GIOIPQXLGYAWCF-UHFFFAOYSA-N 1 0 382.464 3.077 20 5 GGBDRO Cc1n[nH]c(C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000072060275 1409843310 /nfs/dbraw/zinc/84/33/10/1409843310.db2.gz HPXNQUKKKBWUQC-OKILXGFUSA-N 1 0 385.468 3.034 20 5 GGBDRO Cc1n[nH]c(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000072060277 1409843335 /nfs/dbraw/zinc/84/33/35/1409843335.db2.gz HPXNQUKKKBWUQC-ZIAGYGMSSA-N 1 0 385.468 3.034 20 5 GGBDRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000072074281 1409845858 /nfs/dbraw/zinc/84/58/58/1409845858.db2.gz LDXZFFRRIBUWTE-UHFFFAOYSA-N 1 0 391.921 3.237 20 5 GGBDRO Cc1cc(Cl)c(S(=O)(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000176726019 1428436756 /nfs/dbraw/zinc/43/67/56/1428436756.db2.gz QPIHQDJXVPOPGG-CYBMUJFWSA-N 1 0 389.905 3.052 20 5 GGBDRO CC[NH+](CC)CCOC1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000074684141 1409875376 /nfs/dbraw/zinc/87/53/76/1409875376.db2.gz JDBILXCJYRVBGJ-UHFFFAOYSA-N 1 0 378.473 3.258 20 5 GGBDRO Cc1cc(Cl)c(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000176726002 1428437297 /nfs/dbraw/zinc/43/72/97/1428437297.db2.gz QPIHQDJXVPOPGG-ZDUSSCGKSA-N 1 0 389.905 3.052 20 5 GGBDRO CCCc1n[nH]c(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000078775155 1409935753 /nfs/dbraw/zinc/93/57/53/1409935753.db2.gz CTXNDEIUQYCYTO-KRWDZBQOSA-N 1 0 385.468 3.146 20 5 GGBDRO CCCCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000078911279 1409942099 /nfs/dbraw/zinc/94/20/99/1409942099.db2.gz SAHHUFZRCSYKJK-UHFFFAOYSA-N 1 0 393.532 3.428 20 5 GGBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000079292756 1409965732 /nfs/dbraw/zinc/96/57/32/1409965732.db2.gz PURLKDVYPUBGCQ-UHFFFAOYSA-N 1 0 396.491 3.399 20 5 GGBDRO C[NH+](C)CCOc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)cc1Cl ZINC000176743111 1428444754 /nfs/dbraw/zinc/44/47/54/1428444754.db2.gz PBOZLNSHCRFQMV-UHFFFAOYSA-N 1 0 378.816 3.023 20 5 GGBDRO CC(C)CC[NH+]1CCC(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000080098544 1410000497 /nfs/dbraw/zinc/00/04/97/1410000497.db2.gz GGTXKEJSFCOPET-UHFFFAOYSA-N 1 0 376.501 3.195 20 5 GGBDRO CCc1nn(C)c(N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000091742991 1410079506 /nfs/dbraw/zinc/07/95/06/1410079506.db2.gz YUSSAASIDCWODS-IEBWSBKVSA-N 1 0 383.496 3.382 20 5 GGBDRO Cc1noc(C2CC[NH+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000091833691 1410084533 /nfs/dbraw/zinc/08/45/33/1410084533.db2.gz DJYPBGWQMWZFRZ-UHFFFAOYSA-N 1 0 382.424 3.066 20 5 GGBDRO NC(=O)c1ccc(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000091889765 1410089610 /nfs/dbraw/zinc/08/96/10/1410089610.db2.gz BIPOQNTVBPZWQS-UHFFFAOYSA-N 1 0 387.411 3.014 20 5 GGBDRO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000092188703 1410119129 /nfs/dbraw/zinc/11/91/29/1410119129.db2.gz DWWTUIVQKQINEP-AWEZNQCLSA-N 1 0 386.477 3.313 20 5 GGBDRO CCOC(=O)c1ccc(N2CCC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)nc1 ZINC000092644060 1410181228 /nfs/dbraw/zinc/18/12/28/1410181228.db2.gz FIKNQFHGIXCDIZ-UHFFFAOYSA-N 1 0 398.463 3.187 20 5 GGBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H](CCC(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000092660348 1410183869 /nfs/dbraw/zinc/18/38/69/1410183869.db2.gz BUHBYLZIDNGZIU-CQSZACIVSA-N 1 0 387.436 3.341 20 5 GGBDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000092707443 1410191295 /nfs/dbraw/zinc/19/12/95/1410191295.db2.gz XGSAKHDIHSRFCA-MRXNPFEDSA-N 1 0 399.495 3.124 20 5 GGBDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000092707442 1410191889 /nfs/dbraw/zinc/19/18/89/1410191889.db2.gz XGSAKHDIHSRFCA-INIZCTEOSA-N 1 0 399.495 3.124 20 5 GGBDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000092730940 1410195180 /nfs/dbraw/zinc/19/51/80/1410195180.db2.gz RLCAHWVKHFJLHM-CABCVRRESA-N 1 0 393.484 3.129 20 5 GGBDRO CCc1nn(C)c(NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000092828434 1410203927 /nfs/dbraw/zinc/20/39/27/1410203927.db2.gz VGCLDYYOSZCAHQ-HUUCEWRRSA-N 1 0 387.484 3.112 20 5 GGBDRO O=[N+]([O-])c1cc(C[N@@H+](CCO)CCCO)ccc1Oc1ccccc1Cl ZINC000093323757 1410234841 /nfs/dbraw/zinc/23/48/41/1410234841.db2.gz DQFSRHPESLFGKB-UHFFFAOYSA-N 1 0 380.828 3.217 20 5 GGBDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000093361060 1410239438 /nfs/dbraw/zinc/23/94/38/1410239438.db2.gz USKAOKBIZZDTGC-OAHLLOKOSA-N 1 0 387.411 3.484 20 5 GGBDRO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000093361061 1410239699 /nfs/dbraw/zinc/23/96/99/1410239699.db2.gz USKAOKBIZZDTGC-HNNXBMFYSA-N 1 0 387.411 3.484 20 5 GGBDRO COc1ccc([C@H](CO)[N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000093415279 1410244600 /nfs/dbraw/zinc/24/46/00/1410244600.db2.gz GFMJCEQUNNYOAS-FQEVSTJZSA-N 1 0 396.447 3.169 20 5 GGBDRO COc1cc(C[N@H+](C)CC2(O)CCCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000093503101 1410249444 /nfs/dbraw/zinc/24/94/44/1410249444.db2.gz MSISRFFOIHFMHB-UHFFFAOYSA-N 1 0 392.374 3.281 20 5 GGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3c[nH]nc3-c3ccccc3F)C2)nc1 ZINC000093534446 1410250599 /nfs/dbraw/zinc/25/05/99/1410250599.db2.gz DOZHXRYCQFVLFQ-CQSZACIVSA-N 1 0 382.399 3.205 20 5 GGBDRO COc1cc2c(c(C[N@@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)c1)O[C@@H](C)C2 ZINC000093534240 1410250618 /nfs/dbraw/zinc/25/06/18/1410250618.db2.gz HAFDWKMUZVHWTE-BBRMVZONSA-N 1 0 384.436 3.008 20 5 GGBDRO Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000093534425 1410250721 /nfs/dbraw/zinc/25/07/21/1410250721.db2.gz CXXYDFSJCCVDLT-KRWDZBQOSA-N 1 0 378.436 3.375 20 5 GGBDRO COc1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1OC(C)C ZINC000093534280 1410251285 /nfs/dbraw/zinc/25/12/85/1410251285.db2.gz ZFWHAAYZHGRHCO-MRXNPFEDSA-N 1 0 386.452 3.472 20 5 GGBDRO CCCOc1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1OC ZINC000093534632 1410251635 /nfs/dbraw/zinc/25/16/35/1410251635.db2.gz XZKXQPKOJHWKDH-MRXNPFEDSA-N 1 0 386.452 3.474 20 5 GGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cnn(-c4ccc(F)cc4)c3)C2)nc1 ZINC000093534873 1410251863 /nfs/dbraw/zinc/25/18/63/1410251863.db2.gz RYSNJZBWCGWMEQ-INIZCTEOSA-N 1 0 382.399 3.001 20 5 GGBDRO CCCOc1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1OC ZINC000093534629 1410252125 /nfs/dbraw/zinc/25/21/25/1410252125.db2.gz XZKXQPKOJHWKDH-INIZCTEOSA-N 1 0 386.452 3.474 20 5 GGBDRO O=C1NCCCN1C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000093669121 1410259030 /nfs/dbraw/zinc/25/90/30/1410259030.db2.gz WMCIEAQMUYQBDE-UHFFFAOYSA-N 1 0 384.436 3.235 20 5 GGBDRO Cn1cc(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093766157 1410264333 /nfs/dbraw/zinc/26/43/33/1410264333.db2.gz FYMQWBJHSGJDCD-QGZVFWFLSA-N 1 0 398.385 3.131 20 5 GGBDRO Cn1cc(C[N@H+](C)[C@H]2CCCc3c2cnn3C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093863701 1410275100 /nfs/dbraw/zinc/27/51/00/1410275100.db2.gz XRVMBOBFLJTCDC-SFHVURJKSA-N 1 0 380.452 3.238 20 5 GGBDRO O=C1[C@@H](Nc2cccc(CC[NH+]3CCCC3)c2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000093919527 1410285647 /nfs/dbraw/zinc/28/56/47/1410285647.db2.gz UXZRXRZMGHPNQP-NRFANRHFSA-N 1 0 394.475 3.451 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000094016509 1410293013 /nfs/dbraw/zinc/29/30/13/1410293013.db2.gz MQVRWUSCJZMTGV-UHFFFAOYSA-N 1 0 382.464 3.309 20 5 GGBDRO CN(CC[NH+](C)C)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000176806104 1428472202 /nfs/dbraw/zinc/47/22/02/1428472202.db2.gz XQUQLHMHGOYWFT-UHFFFAOYSA-N 1 0 390.871 3.494 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000094101171 1410304256 /nfs/dbraw/zinc/30/42/56/1410304256.db2.gz SSEHIHFEUWCDSK-UHFFFAOYSA-N 1 0 385.464 3.390 20 5 GGBDRO COC(=O)c1cc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc([N+](=O)[O-])c1 ZINC000094121933 1410304959 /nfs/dbraw/zinc/30/49/59/1410304959.db2.gz NCOIIVJBSKJAHN-UHFFFAOYSA-N 1 0 397.431 3.272 20 5 GGBDRO COc1cc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000095405691 1410310773 /nfs/dbraw/zinc/31/07/73/1410310773.db2.gz ZAELKFACWPDODM-NSHDSACASA-N 1 0 382.367 3.308 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000097207757 1410359056 /nfs/dbraw/zinc/35/90/56/1410359056.db2.gz ONPQOBINFYUXHH-UHFFFAOYSA-N 1 0 398.463 3.386 20 5 GGBDRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)C[C@H](C)O1 ZINC000097570404 1410377713 /nfs/dbraw/zinc/37/77/13/1410377713.db2.gz LDBGXERRSCPRJV-OKILXGFUSA-N 1 0 395.887 3.210 20 5 GGBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC([NH+](C)C)CC3)cc2[N+](=O)[O-])C1 ZINC000098093386 1410411276 /nfs/dbraw/zinc/41/12/76/1410411276.db2.gz ZUOTZVRXYYZISF-HZPDHXFCSA-N 1 0 388.512 3.243 20 5 GGBDRO Cc1nn(C)c(C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000098098767 1410414551 /nfs/dbraw/zinc/41/45/51/1410414551.db2.gz IAXHMGRUCOJYFL-HUUCEWRRSA-N 1 0 399.495 3.045 20 5 GGBDRO Cc1nn(C)c(C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000098098843 1410414586 /nfs/dbraw/zinc/41/45/86/1410414586.db2.gz FXISXNAAJAAMIE-GASCZTMLSA-N 1 0 399.495 3.045 20 5 GGBDRO Cc1nn(C)c(C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000098098765 1410415317 /nfs/dbraw/zinc/41/53/17/1410415317.db2.gz IAXHMGRUCOJYFL-GASCZTMLSA-N 1 0 399.495 3.045 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(Nc3ccc(F)cc3)CC2)c1 ZINC000101561346 1410464608 /nfs/dbraw/zinc/46/46/08/1410464608.db2.gz CRTIXISFZZLYSL-LJQANCHMSA-N 1 0 389.427 3.050 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(Nc3ccc(F)cc3)CC2)c1 ZINC000101561347 1410464937 /nfs/dbraw/zinc/46/49/37/1410464937.db2.gz CRTIXISFZZLYSL-IBGZPJMESA-N 1 0 389.427 3.050 20 5 GGBDRO COc1cc(C[NH2+]CCc2cnn(C)c2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000101593979 1410474574 /nfs/dbraw/zinc/47/45/74/1410474574.db2.gz XKMDYGLFNJMVME-UHFFFAOYSA-N 1 0 396.447 3.248 20 5 GGBDRO O=C(Nc1ccc(F)cc1)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000101916899 1410521968 /nfs/dbraw/zinc/52/19/68/1410521968.db2.gz DBJIRQYPTPNRTC-UHFFFAOYSA-N 1 0 387.411 3.463 20 5 GGBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000102006659 1410542528 /nfs/dbraw/zinc/54/25/28/1410542528.db2.gz FQGSGRBQANJAJB-INIZCTEOSA-N 1 0 388.493 3.368 20 5 GGBDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)cc2)C1 ZINC000102232272 1410585242 /nfs/dbraw/zinc/58/52/42/1410585242.db2.gz DDZUFDHWLGICBQ-OAHLLOKOSA-N 1 0 385.468 3.397 20 5 GGBDRO COc1ccc(-c2ccc(C[NH2+]CC(C)(C)N3CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000102419746 1410625480 /nfs/dbraw/zinc/62/54/80/1410625480.db2.gz MWAKHYRQNBJRKX-UHFFFAOYSA-N 1 0 389.452 3.064 20 5 GGBDRO CNC(=O)[C@H](CC(C)C)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000102425420 1410626793 /nfs/dbraw/zinc/62/67/93/1410626793.db2.gz AAATUARHTMGQPF-INIZCTEOSA-N 1 0 375.425 3.114 20 5 GGBDRO Cn1cc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000102424156 1410627514 /nfs/dbraw/zinc/62/75/14/1410627514.db2.gz CUYBONSTVVHEPV-UHFFFAOYSA-N 1 0 388.431 3.471 20 5 GGBDRO COCCOCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000102424673 1410627982 /nfs/dbraw/zinc/62/79/82/1410627982.db2.gz SQHVLCIESANGOW-UHFFFAOYSA-N 1 0 399.241 3.370 20 5 GGBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000102520518 1410642802 /nfs/dbraw/zinc/64/28/02/1410642802.db2.gz GSZAFDRSBZKXRF-UHFFFAOYSA-N 1 0 395.419 3.298 20 5 GGBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc2c1C[N@H+](CCC(C)C)C2 ZINC000102733232 1410717775 /nfs/dbraw/zinc/71/77/75/1410717775.db2.gz USMWMZHLJZRXTF-UHFFFAOYSA-N 1 0 385.468 3.490 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000102845544 1410797942 /nfs/dbraw/zinc/79/79/42/1410797942.db2.gz LDIPQIGPBUQUSB-MRXNPFEDSA-N 1 0 384.436 3.118 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1SC ZINC000102976303 1410815520 /nfs/dbraw/zinc/81/55/20/1410815520.db2.gz GKMIMINIMMYYFH-MRXNPFEDSA-N 1 0 389.477 3.358 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[NH+](C)C)cc1SC ZINC000103064354 1410823873 /nfs/dbraw/zinc/82/38/73/1410823873.db2.gz OIIFPUPKXLCFRC-UHFFFAOYSA-N 1 0 389.477 3.317 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N(C)CC[NH+]2CCCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000103116289 1410829092 /nfs/dbraw/zinc/82/90/92/1410829092.db2.gz ZWQILVLODKMDHZ-INIZCTEOSA-N 1 0 397.479 3.331 20 5 GGBDRO CN(CC[NH+]1CCCC1)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000103119687 1410829471 /nfs/dbraw/zinc/82/94/71/1410829471.db2.gz PXWREFKOBDFHRR-UHFFFAOYSA-N 1 0 382.464 3.375 20 5 GGBDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1C ZINC000103145494 1410831899 /nfs/dbraw/zinc/83/18/99/1410831899.db2.gz GDKBCWGPZZCUFR-UHFFFAOYSA-N 1 0 387.436 3.381 20 5 GGBDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000103458178 1410859540 /nfs/dbraw/zinc/85/95/40/1410859540.db2.gz UCNQXOIAWTYFPC-QGZVFWFLSA-N 1 0 385.468 3.044 20 5 GGBDRO Cc1cc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c(N)c([N+](=O)[O-])c1 ZINC000104150126 1410885979 /nfs/dbraw/zinc/88/59/79/1410885979.db2.gz LVHUZATVYGXOSG-UHFFFAOYSA-N 1 0 386.477 3.287 20 5 GGBDRO CCCN(CC[NH+](C)C)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000104530155 1410898884 /nfs/dbraw/zinc/89/88/84/1410898884.db2.gz KBPLVVYIOOEVNS-UHFFFAOYSA-N 1 0 376.501 3.245 20 5 GGBDRO Cc1noc([C@H]2CCC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)n1 ZINC000104675863 1410928144 /nfs/dbraw/zinc/92/81/44/1410928144.db2.gz MYKDDPXYFWZMRL-HNNXBMFYSA-N 1 0 383.408 3.363 20 5 GGBDRO Cc1ccc(NC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1[N+](=O)[O-] ZINC000104970031 1411006125 /nfs/dbraw/zinc/00/61/25/1411006125.db2.gz SUOYDLVKMVDGCI-UHFFFAOYSA-N 1 0 398.463 3.182 20 5 GGBDRO Cc1cc(F)cc(C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)c1[N+](=O)[O-] ZINC000176973821 1428536243 /nfs/dbraw/zinc/53/62/43/1428536243.db2.gz QZGRTKJRJFDBMR-UHFFFAOYSA-N 1 0 386.427 3.437 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000105486052 1411071518 /nfs/dbraw/zinc/07/15/18/1411071518.db2.gz KKCRIAJOPLSZJU-LJQANCHMSA-N 1 0 375.856 3.411 20 5 GGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](c2cccc(Cl)c2)N2CCOCC2)c1 ZINC000105486036 1411071546 /nfs/dbraw/zinc/07/15/46/1411071546.db2.gz IKPCVXHJXSZZDH-LJQANCHMSA-N 1 0 375.856 3.411 20 5 GGBDRO CCc1noc(-c2ccc(CC[NH2+]Cc3cc(OC)c(O)cc3[N+](=O)[O-])cc2)n1 ZINC000105491488 1411072220 /nfs/dbraw/zinc/07/22/20/1411072220.db2.gz OLUCFOKBWYURRP-UHFFFAOYSA-N 1 0 398.419 3.254 20 5 GGBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000106152451 1411174838 /nfs/dbraw/zinc/17/48/38/1411174838.db2.gz IBKIVPQPSCNRCQ-SFHVURJKSA-N 1 0 382.464 3.178 20 5 GGBDRO CC(C)[C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000106166669 1411175926 /nfs/dbraw/zinc/17/59/26/1411175926.db2.gz FWFXNHYDGQSQSI-IBGZPJMESA-N 1 0 376.501 3.270 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCC(Cn4cccn4)CC3)o2)c1 ZINC000106182489 1411177803 /nfs/dbraw/zinc/17/78/03/1411177803.db2.gz IIMOGBDMMNQEPJ-UHFFFAOYSA-N 1 0 381.436 3.401 20 5 GGBDRO CCOc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000106272909 1411188440 /nfs/dbraw/zinc/18/84/40/1411188440.db2.gz IXPOJEGSMZVWPF-GOSISDBHSA-N 1 0 383.448 3.388 20 5 GGBDRO COc1cccc([C@@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC)[NH+](C)C)c1 ZINC000106317762 1411194094 /nfs/dbraw/zinc/19/40/94/1411194094.db2.gz MOFLLVXZZZTFBY-QGZVFWFLSA-N 1 0 388.424 3.036 20 5 GGBDRO Cn1cc(C[NH2+]Cc2ccccc2-n2ccnc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000107044448 1411336128 /nfs/dbraw/zinc/33/61/28/1411336128.db2.gz ZWHSFSSDUCXFPY-UHFFFAOYSA-N 1 0 388.431 3.471 20 5 GGBDRO C[NH+](C)CCCOc1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000107279824 1411358023 /nfs/dbraw/zinc/35/80/23/1411358023.db2.gz MNKXIWDCLUXNFZ-UHFFFAOYSA-N 1 0 383.408 3.054 20 5 GGBDRO C[C@@H]1C[NH+](CC2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)C[C@@H](C)O1 ZINC000177040016 1428564677 /nfs/dbraw/zinc/56/46/77/1428564677.db2.gz QJQIOVZGLIFGRV-HUUCEWRRSA-N 1 0 388.468 3.057 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCN(C)c1ccccc1 ZINC000107682760 1411398067 /nfs/dbraw/zinc/39/80/67/1411398067.db2.gz FGQPYGPDIMMITE-UHFFFAOYSA-N 1 0 386.452 3.000 20 5 GGBDRO CCCOc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000107716510 1411401228 /nfs/dbraw/zinc/40/12/28/1411401228.db2.gz IHFUVTCKKYNPLT-UHFFFAOYSA-N 1 0 381.436 3.469 20 5 GGBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000108335678 1411475617 /nfs/dbraw/zinc/47/56/17/1411475617.db2.gz KZJOZRHDORRYAZ-QGZVFWFLSA-N 1 0 382.464 3.279 20 5 GGBDRO CN(C)C(=O)C(C)(C)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000108422601 1411497988 /nfs/dbraw/zinc/49/79/88/1411497988.db2.gz HPSFIHRRDTXSBK-UHFFFAOYSA-N 1 0 375.400 3.483 20 5 GGBDRO COc1cccc(C[NH+]2CCC(NC(=O)c3ccc([N+](=O)[O-])s3)CC2)c1 ZINC000108531123 1411531350 /nfs/dbraw/zinc/53/13/50/1411531350.db2.gz JYWHRUDQOLJXHB-UHFFFAOYSA-N 1 0 375.450 3.059 20 5 GGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)o1 ZINC000109071328 1411677071 /nfs/dbraw/zinc/67/70/71/1411677071.db2.gz IELKUKPQOXXVHA-HNNXBMFYSA-N 1 0 379.420 3.403 20 5 GGBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@@H]1COc2ccccc2O1 ZINC000109093132 1411681624 /nfs/dbraw/zinc/68/16/24/1411681624.db2.gz WERCZGPCZSDJOQ-QGZVFWFLSA-N 1 0 399.447 3.394 20 5 GGBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccc2c(c1)OCO2 ZINC000109094577 1411681935 /nfs/dbraw/zinc/68/19/35/1411681935.db2.gz DIGQGFRTSPYWKB-UHFFFAOYSA-N 1 0 385.420 3.483 20 5 GGBDRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000109146949 1411694077 /nfs/dbraw/zinc/69/40/77/1411694077.db2.gz JFLNZKSYSSXZLJ-DJJJIMSYSA-N 1 0 382.420 3.009 20 5 GGBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000109312646 1411739043 /nfs/dbraw/zinc/73/90/43/1411739043.db2.gz XATUAHGTCAUPCL-HXUWFJFHSA-N 1 0 382.464 3.045 20 5 GGBDRO CCCNC(=O)C1([NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCCCC1 ZINC000177118539 1428593267 /nfs/dbraw/zinc/59/32/67/1428593267.db2.gz WDUKXHPSZIATPA-UHFFFAOYSA-N 1 0 390.484 3.051 20 5 GGBDRO CCCNC(=O)C1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC000177119673 1428593725 /nfs/dbraw/zinc/59/37/25/1428593725.db2.gz BFWZYMCNAHMPAY-UHFFFAOYSA-N 1 0 396.875 3.005 20 5 GGBDRO O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000109484627 1411772380 /nfs/dbraw/zinc/77/23/80/1411772380.db2.gz HQVFXCXBKJGVEX-UHFFFAOYSA-N 1 0 387.461 3.161 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000109505402 1411776013 /nfs/dbraw/zinc/77/60/13/1411776013.db2.gz XKAGQCNHFBKUPC-IBGZPJMESA-N 1 0 383.448 3.479 20 5 GGBDRO COc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1[N+](=O)[O-] ZINC000109657083 1411802037 /nfs/dbraw/zinc/80/20/37/1411802037.db2.gz XWPCBOLHTALSKM-INIZCTEOSA-N 1 0 375.469 3.188 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000109661126 1411802414 /nfs/dbraw/zinc/80/24/14/1411802414.db2.gz MFELIVPVODKOGA-INIZCTEOSA-N 1 0 375.469 3.188 20 5 GGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)c1 ZINC000109980502 1411822938 /nfs/dbraw/zinc/82/29/38/1411822938.db2.gz ATWWJLULKKXRCR-UHFFFAOYSA-N 1 0 393.509 3.082 20 5 GGBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000110199115 1411837064 /nfs/dbraw/zinc/83/70/64/1411837064.db2.gz PYBQHEZUCQEAGZ-UHFFFAOYSA-N 1 0 396.491 3.417 20 5 GGBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000110349727 1411845849 /nfs/dbraw/zinc/84/58/49/1411845849.db2.gz BGCAEUVWTYQQDH-CYBMUJFWSA-N 1 0 386.408 3.062 20 5 GGBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000110349729 1411845872 /nfs/dbraw/zinc/84/58/72/1411845872.db2.gz BGCAEUVWTYQQDH-ZDUSSCGKSA-N 1 0 386.408 3.062 20 5 GGBDRO Cc1c(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000110353464 1411846201 /nfs/dbraw/zinc/84/62/01/1411846201.db2.gz YNEDSWDHGIYKCZ-CYBMUJFWSA-N 1 0 386.408 3.062 20 5 GGBDRO C[NH+](C)CCCOc1cccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000110488574 1411852575 /nfs/dbraw/zinc/85/25/75/1411852575.db2.gz WRDBMLNBINEKTR-UHFFFAOYSA-N 1 0 388.380 3.086 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@H]2CC[N@H+](C)C2)cc1 ZINC000110652485 1411862190 /nfs/dbraw/zinc/86/21/90/1411862190.db2.gz FFSYLNOLULOIKZ-CQSZACIVSA-N 1 0 385.420 3.077 20 5 GGBDRO C[C@@H]([NH2+]C(C)(C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000111049716 1411884469 /nfs/dbraw/zinc/88/44/69/1411884469.db2.gz UDDXACROQUCLDZ-CQSZACIVSA-N 1 0 377.466 3.003 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000111049866 1411884687 /nfs/dbraw/zinc/88/46/87/1411884687.db2.gz XTSCTPBCBWRKHN-OAHLLOKOSA-N 1 0 391.493 3.311 20 5 GGBDRO CSc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)cc1[N+](=O)[O-] ZINC000111102641 1411887245 /nfs/dbraw/zinc/88/72/45/1411887245.db2.gz ASPTWIWSSUMJLP-UHFFFAOYSA-N 1 0 393.509 3.082 20 5 GGBDRO C[C@@H](CN1CCOCC1)[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000111172586 1411893622 /nfs/dbraw/zinc/89/36/22/1411893622.db2.gz JTJHSYUGMVWWAZ-IBGZPJMESA-N 1 0 399.491 3.197 20 5 GGBDRO O=C(C[N@@H+](Cc1ccccc1)CC1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000111261449 1411898245 /nfs/dbraw/zinc/89/82/45/1411898245.db2.gz BKAFSHQHSXTTAX-UHFFFAOYSA-N 1 0 383.448 3.462 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000111308166 1411906032 /nfs/dbraw/zinc/90/60/32/1411906032.db2.gz VDTBYERWQAZVMG-MRXNPFEDSA-N 1 0 383.448 3.168 20 5 GGBDRO Cc1nc2c(s1)[C@H]([N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC000111313120 1411912774 /nfs/dbraw/zinc/91/27/74/1411912774.db2.gz CSWQRZHCTSQXKN-WMLDXEAASA-N 1 0 377.466 3.109 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000111405521 1411944084 /nfs/dbraw/zinc/94/40/84/1411944084.db2.gz SJLJSJLSDZXTNR-UHFFFAOYSA-N 1 0 383.448 3.406 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000111697008 1412013049 /nfs/dbraw/zinc/01/30/49/1412013049.db2.gz RNTSOWGEUJBUPC-MRXNPFEDSA-N 1 0 393.447 3.351 20 5 GGBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000112076448 1412074385 /nfs/dbraw/zinc/07/43/85/1412074385.db2.gz RZTLPLFCHBKKLT-UHFFFAOYSA-N 1 0 398.385 3.234 20 5 GGBDRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000112186874 1412090205 /nfs/dbraw/zinc/09/02/05/1412090205.db2.gz ZNHFKVQXIKUEHF-UHFFFAOYSA-N 1 0 381.473 3.215 20 5 GGBDRO COc1cc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)ccc1[N+](=O)[O-] ZINC000112186886 1412090464 /nfs/dbraw/zinc/09/04/64/1412090464.db2.gz SGMYNQGBDUNQRN-UHFFFAOYSA-N 1 0 393.509 3.085 20 5 GGBDRO O=C(CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccc(Cl)cc1 ZINC000112656234 1412187610 /nfs/dbraw/zinc/18/76/10/1412187610.db2.gz JHJPZXVMZISNIW-HNNXBMFYSA-N 1 0 389.843 3.158 20 5 GGBDRO C[NH+](C)CCN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CCCC1 ZINC000112915895 1412237897 /nfs/dbraw/zinc/23/78/97/1412237897.db2.gz FJXKVQIMSLVDFP-UHFFFAOYSA-N 1 0 388.512 3.144 20 5 GGBDRO Cc1nn(C)c(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)c1[N+](=O)[O-] ZINC000113189569 1412271624 /nfs/dbraw/zinc/27/16/24/1412271624.db2.gz SWVAMWNTCIQFCC-CQSZACIVSA-N 1 0 385.468 3.030 20 5 GGBDRO Cc1nn(C)c(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)c1[N+](=O)[O-] ZINC000113189568 1412271924 /nfs/dbraw/zinc/27/19/24/1412271924.db2.gz SWVAMWNTCIQFCC-AWEZNQCLSA-N 1 0 385.468 3.030 20 5 GGBDRO C[C@H]([NH2+]C1(CNC(=O)c2ccc([N+](=O)[O-])s2)CCOCC1)c1ccccc1 ZINC000113236448 1412280436 /nfs/dbraw/zinc/28/04/36/1412280436.db2.gz MKIKIJHLUNERGW-AWEZNQCLSA-N 1 0 389.477 3.286 20 5 GGBDRO C[C@@H]([NH2+]C1(CNC(=O)c2ccc([N+](=O)[O-])s2)CCOCC1)c1ccccc1 ZINC000113236450 1412280834 /nfs/dbraw/zinc/28/08/34/1412280834.db2.gz MKIKIJHLUNERGW-CQSZACIVSA-N 1 0 389.477 3.286 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCc3nnc4ccccn43)cs2)c1 ZINC000113315063 1412291393 /nfs/dbraw/zinc/29/13/93/1412291393.db2.gz AYPUQUOSMVGOEV-UHFFFAOYSA-N 1 0 380.433 3.093 20 5 GGBDRO C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(NC(N)=O)cc1 ZINC000113351620 1412296566 /nfs/dbraw/zinc/29/65/66/1412296566.db2.gz DJALDRQAAIGCKC-CYBMUJFWSA-N 1 0 394.435 3.337 20 5 GGBDRO Cn1cc(C[NH2+]CCNC(=O)CC2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000113354897 1412296880 /nfs/dbraw/zinc/29/68/80/1412296880.db2.gz CJYLWCXGILHGDD-UHFFFAOYSA-N 1 0 399.495 3.172 20 5 GGBDRO CN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113601525 1412320720 /nfs/dbraw/zinc/32/07/20/1412320720.db2.gz VBJOCXWOARZDMR-UHFFFAOYSA-N 1 0 396.491 3.443 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000113900381 1412347709 /nfs/dbraw/zinc/34/77/09/1412347709.db2.gz NICIVYJEWYREAO-KGLIPLIRSA-N 1 0 378.448 3.043 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000113933783 1412354101 /nfs/dbraw/zinc/35/41/01/1412354101.db2.gz RPYRTQFBZQJMNV-ZWKOTPCHSA-N 1 0 388.512 3.428 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000113933955 1412354536 /nfs/dbraw/zinc/35/45/36/1412354536.db2.gz LLJNJOLSCIWFGD-ZWKOTPCHSA-N 1 0 388.512 3.428 20 5 GGBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000113945031 1412357268 /nfs/dbraw/zinc/35/72/68/1412357268.db2.gz VPTKTKOMNIFOQA-RDJZCZTQSA-N 1 0 395.525 3.178 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000113945176 1412357373 /nfs/dbraw/zinc/35/73/73/1412357373.db2.gz IKDHZCDOJZWGES-GJZGRUSLSA-N 1 0 399.488 3.009 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000113945161 1412357523 /nfs/dbraw/zinc/35/75/23/1412357523.db2.gz VAUWTQAKKSXKNN-IRXDYDNUSA-N 1 0 395.525 3.178 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000114022823 1412370446 /nfs/dbraw/zinc/37/04/46/1412370446.db2.gz OQCWIZSUSGQHTR-HKUYNNGSSA-N 1 0 388.512 3.433 20 5 GGBDRO Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c(C[NH+](C)C)c1 ZINC000114110639 1412380874 /nfs/dbraw/zinc/38/08/74/1412380874.db2.gz XAPAIJNITXGJHQ-UHFFFAOYSA-N 1 0 398.463 3.054 20 5 GGBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000114199937 1412392953 /nfs/dbraw/zinc/39/29/53/1412392953.db2.gz RASWRODRBIWTGB-DYESRHJHSA-N 1 0 396.491 3.467 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000114400119 1412427319 /nfs/dbraw/zinc/42/73/19/1412427319.db2.gz ONWLWIQELJNDDC-HNNXBMFYSA-N 1 0 399.447 3.419 20 5 GGBDRO CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114481060 1412441882 /nfs/dbraw/zinc/44/18/82/1412441882.db2.gz KQRZXARSUGHVKG-UHFFFAOYSA-N 1 0 396.491 3.154 20 5 GGBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000177249419 1428651520 /nfs/dbraw/zinc/65/15/20/1428651520.db2.gz OHVBEKCWYLYNEW-UHFFFAOYSA-N 1 0 376.413 3.030 20 5 GGBDRO C[C@@](O)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(F)cc1F ZINC000114509427 1412448196 /nfs/dbraw/zinc/44/81/96/1412448196.db2.gz FBODLTFISAPRRR-QGZVFWFLSA-N 1 0 388.317 3.472 20 5 GGBDRO CCOc1ccccc1C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000114725029 1412511645 /nfs/dbraw/zinc/51/16/45/1412511645.db2.gz JQPZHRQETLYWCZ-UHFFFAOYSA-N 1 0 387.436 3.463 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000114748852 1412517766 /nfs/dbraw/zinc/51/77/66/1412517766.db2.gz SDDDLFVIALHSJX-LSDHHAIUSA-N 1 0 396.447 3.399 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000114748815 1412518133 /nfs/dbraw/zinc/51/81/33/1412518133.db2.gz IKJKSOUJSXUMON-ILXRZTDVSA-N 1 0 399.447 3.283 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000115275072 1412630724 /nfs/dbraw/zinc/63/07/24/1412630724.db2.gz JLFBYTMWEZCTKB-UKRRQHHQSA-N 1 0 383.876 3.115 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(OCc3ccccc3)CC2)c1 ZINC000115359227 1412658553 /nfs/dbraw/zinc/65/85/53/1412658553.db2.gz WSFCLMNSUOCXMZ-IBGZPJMESA-N 1 0 386.448 3.016 20 5 GGBDRO C[C@@H]1CCCN(c2ccc(C(=O)N(C)C[C@@H]3CCC[N@H+](C)C3)cc2[N+](=O)[O-])C1 ZINC000115435102 1412674157 /nfs/dbraw/zinc/67/41/57/1412674157.db2.gz YBMVODPZHOPYGO-IAGOWNOFSA-N 1 0 388.512 3.245 20 5 GGBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000115440815 1412677129 /nfs/dbraw/zinc/67/71/29/1412677129.db2.gz SKVRWHWWGMREJG-KRWDZBQOSA-N 1 0 388.512 3.245 20 5 GGBDRO Cc1c(NC(=O)[C@@H](C)N2CC[NH+](C3CCC(C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000115566884 1412713877 /nfs/dbraw/zinc/71/38/77/1412713877.db2.gz MWWKRQLEFVZAJT-IIIMJFFVSA-N 1 0 388.512 3.427 20 5 GGBDRO CC1CCC([NH+]2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000115567130 1412714111 /nfs/dbraw/zinc/71/41/11/1412714111.db2.gz BZBYGICGKRZUMP-UHFFFAOYSA-N 1 0 394.903 3.383 20 5 GGBDRO CC1CCC([NH+]2CCN(CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])CC2)CC1 ZINC000115566670 1412714235 /nfs/dbraw/zinc/71/42/35/1412714235.db2.gz SFOVZVBNLXILKC-UHFFFAOYSA-N 1 0 394.903 3.383 20 5 GGBDRO CC1CCC([NH+]2CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2)CC1 ZINC000115568323 1412715492 /nfs/dbraw/zinc/71/54/92/1412715492.db2.gz ZRTGNXJYUYGPLX-UHFFFAOYSA-N 1 0 394.903 3.383 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000115745307 1412776575 /nfs/dbraw/zinc/77/65/75/1412776575.db2.gz SQYDISFUVSHYNY-NVXWUHKLSA-N 1 0 378.473 3.162 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000115745257 1412776893 /nfs/dbraw/zinc/77/68/93/1412776893.db2.gz ZCEZBKVZSQJWKM-NVXWUHKLSA-N 1 0 378.473 3.162 20 5 GGBDRO CCOC(=O)C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CCCC1 ZINC000177295699 1428676373 /nfs/dbraw/zinc/67/63/73/1428676373.db2.gz HSIJRFXCILIMQM-UHFFFAOYSA-N 1 0 377.441 3.040 20 5 GGBDRO C[C@@H]1CCC[C@](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)([NH+](C)C)C1 ZINC000115916234 1412814874 /nfs/dbraw/zinc/81/48/74/1412814874.db2.gz QPICDCLWWPJAGS-UZLBHIALSA-N 1 0 376.501 3.414 20 5 GGBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000115916404 1412814944 /nfs/dbraw/zinc/81/49/44/1412814944.db2.gz PEDDKFGHXGUJOI-IYBDPMFKSA-N 1 0 377.485 3.236 20 5 GGBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000116064718 1412826910 /nfs/dbraw/zinc/82/69/10/1412826910.db2.gz OCRYYBSZYKEDDM-INIZCTEOSA-N 1 0 383.448 3.315 20 5 GGBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000116067081 1412827364 /nfs/dbraw/zinc/82/73/64/1412827364.db2.gz ICBAFSCYGKFRKD-MRXNPFEDSA-N 1 0 383.448 3.315 20 5 GGBDRO C[NH+](C)CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)C(C)(C)C ZINC000116128631 1412834735 /nfs/dbraw/zinc/83/47/35/1412834735.db2.gz OYGRFVWXDLUWRA-CQSZACIVSA-N 1 0 386.290 3.454 20 5 GGBDRO C[C@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000116357836 1412852448 /nfs/dbraw/zinc/85/24/48/1412852448.db2.gz BFVSYJHNHVSATC-OAHLLOKOSA-N 1 0 389.477 3.099 20 5 GGBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116388910 1412853998 /nfs/dbraw/zinc/85/39/98/1412853998.db2.gz SBRSSLXHSHJMCC-IYBDPMFKSA-N 1 0 380.920 3.239 20 5 GGBDRO Cc1cc(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000116454549 1412862441 /nfs/dbraw/zinc/86/24/41/1412862441.db2.gz BGPMMIFXDWKCEE-OAHLLOKOSA-N 1 0 382.464 3.441 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000116715804 1412903078 /nfs/dbraw/zinc/90/30/78/1412903078.db2.gz PMABJGRTMIXHKJ-AWEZNQCLSA-N 1 0 397.884 3.498 20 5 GGBDRO Cc1ccccc1C[N@H+]1CCCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000116758909 1412917402 /nfs/dbraw/zinc/91/74/02/1412917402.db2.gz CKVXAGKNZQZFJD-SFHVURJKSA-N 1 0 396.491 3.438 20 5 GGBDRO C[NH+](C)CCOc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1Cl ZINC000116816828 1412930768 /nfs/dbraw/zinc/93/07/68/1412930768.db2.gz HQZJVZOGNULTKG-UHFFFAOYSA-N 1 0 396.806 3.162 20 5 GGBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccc(F)c(F)c1 ZINC000117334791 1413026902 /nfs/dbraw/zinc/02/69/02/1413026902.db2.gz PDKCUVMMQAURJO-UHFFFAOYSA-N 1 0 377.347 3.303 20 5 GGBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000117338357 1413027314 /nfs/dbraw/zinc/02/73/14/1413027314.db2.gz PODDFJXZOJZRLA-MRXNPFEDSA-N 1 0 382.420 3.079 20 5 GGBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCC(OC2CCCC2)CC1 ZINC000117337546 1413028018 /nfs/dbraw/zinc/02/80/18/1413028018.db2.gz BFCWGRWEEBDTMF-UHFFFAOYSA-N 1 0 389.452 3.316 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000117574865 1413053618 /nfs/dbraw/zinc/05/36/18/1413053618.db2.gz RNVKKQRYJJFDKO-MRXNPFEDSA-N 1 0 377.828 3.337 20 5 GGBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117581940 1413054175 /nfs/dbraw/zinc/05/41/75/1413054175.db2.gz UHMSZHQQSOKZGE-UHFFFAOYSA-N 1 0 375.856 3.381 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000117673936 1413064344 /nfs/dbraw/zinc/06/43/44/1413064344.db2.gz UTFQUYWJQJIOME-KDOFPFPSSA-N 1 0 397.903 3.044 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000117673938 1413064639 /nfs/dbraw/zinc/06/46/39/1413064639.db2.gz UTFQUYWJQJIOME-RDTXWAMCSA-N 1 0 397.903 3.044 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000117760722 1413077141 /nfs/dbraw/zinc/07/71/41/1413077141.db2.gz QTLUQBUJPNJXNJ-QGZVFWFLSA-N 1 0 379.819 3.349 20 5 GGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000118828535 1413235469 /nfs/dbraw/zinc/23/54/69/1413235469.db2.gz QZOJEVMXUVEFPP-ZFWWWQNUSA-N 1 0 380.876 3.135 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN([C@@H](C)c2cccnc2)CC1 ZINC000118835814 1413237516 /nfs/dbraw/zinc/23/75/16/1413237516.db2.gz JVHUDODOKSEDFF-KRWDZBQOSA-N 1 0 397.479 3.006 20 5 GGBDRO CCc1ccc2c(C[N@@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc(=O)oc2c1 ZINC000118865990 1413253213 /nfs/dbraw/zinc/25/32/13/1413253213.db2.gz IIHBSHNDSRPQDS-INIZCTEOSA-N 1 0 394.431 3.345 20 5 GGBDRO Cn1cc(C[NH2+]CCCCNc2ccccn2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000119039581 1413313448 /nfs/dbraw/zinc/31/34/48/1413313448.db2.gz UNFPGMBEODYYPE-UHFFFAOYSA-N 1 0 380.452 3.372 20 5 GGBDRO Cc1cc(NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OCC[NH+]1CCCC1 ZINC000119149971 1413356118 /nfs/dbraw/zinc/35/61/18/1413356118.db2.gz MXECFTPMOCPOEJ-UHFFFAOYSA-N 1 0 399.447 3.395 20 5 GGBDRO C[C@]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)(C(N)=O)c1cccc(Cl)c1 ZINC000177403714 1428720697 /nfs/dbraw/zinc/72/06/97/1428720697.db2.gz ITEAZCPNDIVVRA-GOSISDBHSA-N 1 0 377.828 3.007 20 5 GGBDRO O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000119386893 1413431381 /nfs/dbraw/zinc/43/13/81/1413431381.db2.gz BJKFLZRMOGHGOO-UHFFFAOYSA-N 1 0 397.500 3.342 20 5 GGBDRO COC(=O)[C@@H](C)[C@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000177417482 1428727710 /nfs/dbraw/zinc/72/77/10/1428727710.db2.gz CMTKRWNASNPDIJ-YWZLYKJASA-N 1 0 399.447 3.372 20 5 GGBDRO COC(=O)[C@H](C)[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000177418698 1428728332 /nfs/dbraw/zinc/72/83/32/1428728332.db2.gz RPXAQBJTWGUIGZ-QRWLVFNGSA-N 1 0 399.447 3.372 20 5 GGBDRO C[C@@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[N@H+](C)Cc1ccccc1 ZINC000119573774 1413489826 /nfs/dbraw/zinc/48/98/26/1413489826.db2.gz UWQOBDLCMGKCNZ-INIZCTEOSA-N 1 0 382.464 3.183 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000119668887 1413523941 /nfs/dbraw/zinc/52/39/41/1413523941.db2.gz VJVMYGTWQXAMRF-UHFFFAOYSA-N 1 0 390.484 3.260 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000119687987 1413531817 /nfs/dbraw/zinc/53/18/17/1413531817.db2.gz LQHPBRNHGVOHNP-BTYIYWSLSA-N 1 0 392.459 3.255 20 5 GGBDRO COc1cc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000119738377 1413550563 /nfs/dbraw/zinc/55/05/63/1413550563.db2.gz CBAREPAOUJNJCL-UHFFFAOYSA-N 1 0 389.477 3.307 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000177440183 1428737588 /nfs/dbraw/zinc/73/75/88/1428737588.db2.gz MDHKJINLNOMRMR-HNNXBMFYSA-N 1 0 376.482 3.494 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C3CCCC3)CC2)cc1SC ZINC000177443323 1428738715 /nfs/dbraw/zinc/73/87/15/1428738715.db2.gz DBMAHYDXQWLVAB-UHFFFAOYSA-N 1 0 393.509 3.462 20 5 GGBDRO Cc1ccnc(N2CC[NH+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)c1 ZINC000119927807 1413620565 /nfs/dbraw/zinc/62/05/65/1413620565.db2.gz OXNWTNSMKUSKFP-UHFFFAOYSA-N 1 0 393.447 3.318 20 5 GGBDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000119938515 1413623836 /nfs/dbraw/zinc/62/38/36/1413623836.db2.gz RCZLBEQFEFYZQA-UHFFFAOYSA-N 1 0 398.438 3.348 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000119955740 1413631596 /nfs/dbraw/zinc/63/15/96/1413631596.db2.gz QAPWEXTUOXIAJY-UHFFFAOYSA-N 1 0 390.484 3.320 20 5 GGBDRO Cn1cc(Cl)cc1C[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000119973378 1413638035 /nfs/dbraw/zinc/63/80/35/1413638035.db2.gz KOOHHONQYWNQAM-UHFFFAOYSA-N 1 0 378.816 3.017 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C3CCCC3)CC2)cc1OC ZINC000177455233 1428743846 /nfs/dbraw/zinc/74/38/46/1428743846.db2.gz CIKUQAGEGJAWIK-UHFFFAOYSA-N 1 0 391.468 3.139 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)Cc1ccccc1 ZINC000120081836 1413680374 /nfs/dbraw/zinc/68/03/74/1413680374.db2.gz MVXLSZYHVWMAJP-HXUWFJFHSA-N 1 0 396.491 3.442 20 5 GGBDRO COCC[N@H+](C)CCCC1CCN(c2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000120149527 1413707622 /nfs/dbraw/zinc/70/76/22/1413707622.db2.gz DPOJOQIFYVMETA-UHFFFAOYSA-N 1 0 383.464 3.317 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000120186479 1413723054 /nfs/dbraw/zinc/72/30/54/1413723054.db2.gz LUWCMJOLZNACNX-UHFFFAOYSA-N 1 0 386.452 3.474 20 5 GGBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000120187164 1413723655 /nfs/dbraw/zinc/72/36/55/1413723655.db2.gz ZJBZRFUFVIXRQD-SFHVURJKSA-N 1 0 376.501 3.337 20 5 GGBDRO COc1ccc([C@H](CCO)[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000120191066 1413724815 /nfs/dbraw/zinc/72/48/15/1413724815.db2.gz FHIWVZAHMGOINM-NRFANRHFSA-N 1 0 385.464 3.286 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000120216181 1413734791 /nfs/dbraw/zinc/73/47/91/1413734791.db2.gz YPUDTHSPISZZNK-GOSISDBHSA-N 1 0 388.512 3.286 20 5 GGBDRO CCC[NH+]1CCC(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000120230059 1413742158 /nfs/dbraw/zinc/74/21/58/1413742158.db2.gz FIPXPGSUFMPDTL-UHFFFAOYSA-N 1 0 389.374 3.140 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](CC(C)C)N1CCOCC1 ZINC000120242652 1413747783 /nfs/dbraw/zinc/74/77/83/1413747783.db2.gz ZBRJSLUOQUXWGP-MRXNPFEDSA-N 1 0 378.473 3.080 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC000120241813 1413747933 /nfs/dbraw/zinc/74/79/33/1413747933.db2.gz QIHPKQPNGJJZFJ-HUUCEWRRSA-N 1 0 378.473 3.221 20 5 GGBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2cc(Cl)cn2C)c([N+](=O)[O-])c1 ZINC000120246336 1413749916 /nfs/dbraw/zinc/74/99/16/1413749916.db2.gz NEDXASVOUJKHAR-UHFFFAOYSA-N 1 0 380.832 3.056 20 5 GGBDRO C[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)CN1CCOCC1 ZINC000120249792 1413751645 /nfs/dbraw/zinc/75/16/45/1413751645.db2.gz SNKJEARMGHXQFL-OAHLLOKOSA-N 1 0 375.494 3.381 20 5 GGBDRO CN(C)c1cccc(C[N@H+](C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c1 ZINC000120269504 1413761657 /nfs/dbraw/zinc/76/16/57/1413761657.db2.gz LYRZJZOJJPNROL-UHFFFAOYSA-N 1 0 384.436 3.091 20 5 GGBDRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000177473342 1428756364 /nfs/dbraw/zinc/75/63/64/1428756364.db2.gz KRTXCRQRMSJVGV-NVXWUHKLSA-N 1 0 382.464 3.268 20 5 GGBDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)COc1ccccc1[N+](=O)[O-] ZINC000120320810 1413784268 /nfs/dbraw/zinc/78/42/68/1413784268.db2.gz VBDZUESFAPJZIA-WMZOPIPTSA-N 1 0 381.432 3.117 20 5 GGBDRO Cc1c(CC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000120416833 1413813088 /nfs/dbraw/zinc/81/30/88/1413813088.db2.gz ODFYRNLKQIACCT-LJQANCHMSA-N 1 0 381.476 3.127 20 5 GGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000120470922 1413825289 /nfs/dbraw/zinc/82/52/89/1413825289.db2.gz MDUUEISPNPNSKX-SJKOYZFVSA-N 1 0 377.828 3.289 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CCN(c4ccccn4)C3)cs2)c1 ZINC000120524626 1413835530 /nfs/dbraw/zinc/83/55/30/1413835530.db2.gz IVPNRHSVPPKURM-HNNXBMFYSA-N 1 0 381.461 3.482 20 5 GGBDRO C[C@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@@H+]1Cc1ccccc1 ZINC000177477439 1428759125 /nfs/dbraw/zinc/75/91/25/1428759125.db2.gz DGSYRSIRFHHDSC-BBRMVZONSA-N 1 0 386.427 3.099 20 5 GGBDRO C[N@@H+]1CCC[C@H]1CCN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000120534601 1413838360 /nfs/dbraw/zinc/83/83/60/1413838360.db2.gz BJOFESLUXXPZFX-AWEZNQCLSA-N 1 0 386.418 3.220 20 5 GGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000120877909 1413935052 /nfs/dbraw/zinc/93/50/52/1413935052.db2.gz CKKDVTZCCNAOFC-UHFFFAOYSA-N 1 0 398.463 3.032 20 5 GGBDRO COc1cccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)[NH+](C)C)c1 ZINC000121039856 1413986409 /nfs/dbraw/zinc/98/64/09/1413986409.db2.gz FCMIKJDZWVSFRM-LJQANCHMSA-N 1 0 394.431 3.184 20 5 GGBDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000121120028 1414014262 /nfs/dbraw/zinc/01/42/62/1414014262.db2.gz SCELCBHKJOBAGF-GDBMZVCRSA-N 1 0 387.484 3.227 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(OC2CCCC2)CC1 ZINC000121127919 1414017465 /nfs/dbraw/zinc/01/74/65/1414017465.db2.gz ABEKYLFPEMZGKF-UHFFFAOYSA-N 1 0 391.468 3.356 20 5 GGBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000121164108 1414030231 /nfs/dbraw/zinc/03/02/31/1414030231.db2.gz VEPFPKCYIXNQIF-ZIAGYGMSSA-N 1 0 377.466 3.257 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2ccco2)cc1SC ZINC000121222642 1414048740 /nfs/dbraw/zinc/04/87/40/1414048740.db2.gz SSCCLWKSPYJMAV-UHFFFAOYSA-N 1 0 393.465 3.122 20 5 GGBDRO CCN(C[C@H]1CC[N@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1)CC(F)(F)F ZINC000121239537 1414054591 /nfs/dbraw/zinc/05/45/91/1414054591.db2.gz GZZOKPQDTIQZID-CQSZACIVSA-N 1 0 399.417 3.417 20 5 GGBDRO COc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)cc1[N+](=O)[O-] ZINC000121257332 1414061379 /nfs/dbraw/zinc/06/13/79/1414061379.db2.gz DIYFJDVQIQIJQR-UHFFFAOYSA-N 1 0 385.420 3.160 20 5 GGBDRO CC(C)C(=O)NCC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000121494426 1414149378 /nfs/dbraw/zinc/14/93/78/1414149378.db2.gz KWNXXPWTKMSWNN-UHFFFAOYSA-N 1 0 375.400 3.388 20 5 GGBDRO CC(C)[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000121513579 1414158210 /nfs/dbraw/zinc/15/82/10/1414158210.db2.gz MUORFAIIXRLJLH-NRFANRHFSA-N 1 0 399.447 3.316 20 5 GGBDRO Cc1c(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000121712070 1414232228 /nfs/dbraw/zinc/23/22/28/1414232228.db2.gz AZRQYOKENCCDOI-KRWDZBQOSA-N 1 0 386.408 3.153 20 5 GGBDRO CC[NH+](CC)Cc1ccc(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])cc1 ZINC000121795219 1414259717 /nfs/dbraw/zinc/25/97/17/1414259717.db2.gz FADCVYPRLFBTED-UHFFFAOYSA-N 1 0 391.493 3.452 20 5 GGBDRO COc1ccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000121814273 1414266255 /nfs/dbraw/zinc/26/62/55/1414266255.db2.gz JEOXEFOLLRGPJV-YOEHRIQHSA-N 1 0 384.436 3.245 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000121826758 1414270626 /nfs/dbraw/zinc/27/06/26/1414270626.db2.gz XZEKSNDVSCXNDB-HNNXBMFYSA-N 1 0 395.525 3.328 20 5 GGBDRO CN(C(=O)CN1CCC(CCC[NH+]2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000121856334 1414279788 /nfs/dbraw/zinc/27/97/88/1414279788.db2.gz BZBILFATPPFCSO-UHFFFAOYSA-N 1 0 388.512 3.146 20 5 GGBDRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000121866443 1414284268 /nfs/dbraw/zinc/28/42/68/1414284268.db2.gz BXLRKESVUMGLJT-LLVKDONJSA-N 1 0 383.857 3.089 20 5 GGBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000121964450 1414325473 /nfs/dbraw/zinc/32/54/73/1414325473.db2.gz LZLZARCDFMGMOB-SMDDNHRTSA-N 1 0 388.390 3.144 20 5 GGBDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)c2)CC1 ZINC000122325756 1414424277 /nfs/dbraw/zinc/42/42/77/1414424277.db2.gz YDFSJAJXLWDBGG-UHFFFAOYSA-N 1 0 382.464 3.306 20 5 GGBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[N@@H+]1CCc2ccccc2C1 ZINC000122556186 1414499612 /nfs/dbraw/zinc/49/96/12/1414499612.db2.gz ZQHUFEJRDOJLQV-HNNXBMFYSA-N 1 0 390.443 3.320 20 5 GGBDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)COc3ccccc3[N+](=O)[O-])c2)CC1 ZINC000122567314 1414503453 /nfs/dbraw/zinc/50/34/53/1414503453.db2.gz LWTDLWTYMCYBIP-UHFFFAOYSA-N 1 0 398.463 3.143 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000122751989 1414556311 /nfs/dbraw/zinc/55/63/11/1414556311.db2.gz FIGHAWPCBGGJNC-UHFFFAOYSA-N 1 0 376.457 3.380 20 5 GGBDRO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000122843596 1414578854 /nfs/dbraw/zinc/57/88/54/1414578854.db2.gz KISHUDGRWJQYON-UHFFFAOYSA-N 1 0 382.464 3.314 20 5 GGBDRO C[NH+](C)CCOc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000122917242 1414596271 /nfs/dbraw/zinc/59/62/71/1414596271.db2.gz FYDFTZIAEIMVRC-UHFFFAOYSA-N 1 0 377.828 3.119 20 5 GGBDRO C[NH+](C)CCOc1ccccc1CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000122916516 1414596419 /nfs/dbraw/zinc/59/64/19/1414596419.db2.gz RUGAWPGMLRGYCL-UHFFFAOYSA-N 1 0 377.828 3.119 20 5 GGBDRO O=C(C[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000123105107 1414643126 /nfs/dbraw/zinc/64/31/26/1414643126.db2.gz FJZQAMIXGPZISP-UHFFFAOYSA-N 1 0 397.431 3.364 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000123185526 1414663158 /nfs/dbraw/zinc/66/31/58/1414663158.db2.gz ISTMSCNPTKLDFM-KGLIPLIRSA-N 1 0 376.457 3.378 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000123184869 1414663476 /nfs/dbraw/zinc/66/34/76/1414663476.db2.gz ISTMSCNPTKLDFM-UONOGXRCSA-N 1 0 376.457 3.378 20 5 GGBDRO C[NH+](C)CCCC1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000123361880 1414706782 /nfs/dbraw/zinc/70/67/82/1414706782.db2.gz QEUCFGQMBTYHTN-UHFFFAOYSA-N 1 0 382.892 3.241 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000123735099 1414817499 /nfs/dbraw/zinc/81/74/99/1414817499.db2.gz RPSDIXLSBSFHOD-SJORKVTESA-N 1 0 393.509 3.218 20 5 GGBDRO Cn1cc(C[NH2+]C[C@H](O)c2c(F)cccc2F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000123999942 1414866266 /nfs/dbraw/zinc/86/62/66/1414866266.db2.gz DJCNIXHROKYNNB-KRWDZBQOSA-N 1 0 388.374 3.097 20 5 GGBDRO Cc1ccc(C[NH2+]CCCC(=O)N2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000124138655 1414893459 /nfs/dbraw/zinc/89/34/59/1414893459.db2.gz OPAQCALUNYQOJK-UHFFFAOYSA-N 1 0 396.491 3.122 20 5 GGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](CO)Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000124151275 1414895918 /nfs/dbraw/zinc/89/59/18/1414895918.db2.gz AABLVDLHQJCJPQ-SFHVURJKSA-N 1 0 394.475 3.238 20 5 GGBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000124158190 1414897401 /nfs/dbraw/zinc/89/74/01/1414897401.db2.gz VMSIGSMEBPFJHY-KRWDZBQOSA-N 1 0 381.432 3.457 20 5 GGBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000124158408 1414897551 /nfs/dbraw/zinc/89/75/51/1414897551.db2.gz VMSIGSMEBPFJHY-QGZVFWFLSA-N 1 0 381.432 3.457 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000124171698 1414899697 /nfs/dbraw/zinc/89/96/97/1414899697.db2.gz OTJZYCGCIAYOSV-DOTOQJQBSA-N 1 0 383.448 3.495 20 5 GGBDRO CC[NH+](CC)[C@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])c1ccccc1 ZINC000124284518 1414929439 /nfs/dbraw/zinc/92/94/39/1414929439.db2.gz BREXXIZIAUKXAH-QGZVFWFLSA-N 1 0 391.493 3.493 20 5 GGBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000124356680 1414947947 /nfs/dbraw/zinc/94/79/47/1414947947.db2.gz YQGCWTKMZODDEB-MRXNPFEDSA-N 1 0 399.495 3.093 20 5 GGBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000124414878 1414962374 /nfs/dbraw/zinc/96/23/74/1414962374.db2.gz ZLWJDAQXJAKVSC-KRWDZBQOSA-N 1 0 376.501 3.271 20 5 GGBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000124414661 1414962487 /nfs/dbraw/zinc/96/24/87/1414962487.db2.gz ZLWJDAQXJAKVSC-QGZVFWFLSA-N 1 0 376.501 3.271 20 5 GGBDRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000124426430 1414965330 /nfs/dbraw/zinc/96/53/30/1414965330.db2.gz KYMDTCXMXBFANW-GFCCVEGCSA-N 1 0 375.812 3.474 20 5 GGBDRO Cc1c(NC(=O)CC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000124564821 1414995463 /nfs/dbraw/zinc/99/54/63/1414995463.db2.gz KHTHUFPPHXYJJQ-HXUWFJFHSA-N 1 0 382.464 3.221 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000124607230 1415004257 /nfs/dbraw/zinc/00/42/57/1415004257.db2.gz HGJCSCXMSUEJCT-MRXNPFEDSA-N 1 0 377.441 3.291 20 5 GGBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000124617155 1415006643 /nfs/dbraw/zinc/00/66/43/1415006643.db2.gz GULKJUNFBHMWDY-PMACEKPBSA-N 1 0 388.512 3.004 20 5 GGBDRO C[NH+](C)CCn1c(=O)oc2ccc(NC/C=C/c3ccccc3[N+](=O)[O-])cc21 ZINC000124621025 1415007118 /nfs/dbraw/zinc/00/71/18/1415007118.db2.gz MKNARTNUVFHMLI-FNORWQNLSA-N 1 0 382.420 3.190 20 5 GGBDRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000124931654 1415075643 /nfs/dbraw/zinc/07/56/43/1415075643.db2.gz WLPUMRQMOJSAAO-QUCCMNQESA-N 1 0 386.448 3.256 20 5 GGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000177814455 1428863548 /nfs/dbraw/zinc/86/35/48/1428863548.db2.gz AMBKUHKPQLBZJG-ZBFHGGJFSA-N 1 0 386.477 3.417 20 5 GGBDRO C[C@H]1C[NH2+]CCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000125523775 1415220130 /nfs/dbraw/zinc/22/01/30/1415220130.db2.gz KYMDTCXMXBFANW-LBPRGKRZSA-N 1 0 375.812 3.474 20 5 GGBDRO CS(=O)(=O)Cc1ccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000125680420 1415253139 /nfs/dbraw/zinc/25/31/39/1415253139.db2.gz JRNSWIZKEZKLLM-LJQANCHMSA-N 1 0 388.489 3.250 20 5 GGBDRO Cc1c(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000125767478 1415274787 /nfs/dbraw/zinc/27/47/87/1415274787.db2.gz XWVHOGPHERURCT-AWEZNQCLSA-N 1 0 392.437 3.214 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000125770039 1415276117 /nfs/dbraw/zinc/27/61/17/1415276117.db2.gz ZSPWCYXSWWDDIM-OAHLLOKOSA-N 1 0 395.525 3.184 20 5 GGBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1 ZINC000125809304 1415286981 /nfs/dbraw/zinc/28/69/81/1415286981.db2.gz LTDDKQRBNAUMLJ-DOMZBBRYSA-N 1 0 382.363 3.287 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000177945019 1428897609 /nfs/dbraw/zinc/89/76/09/1428897609.db2.gz LYBTZJGDDBBJSB-QKLQHJQFSA-N 1 0 386.496 3.038 20 5 GGBDRO Cn1cc(N2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)CC2)cn1 ZINC000126053711 1415346080 /nfs/dbraw/zinc/34/60/80/1415346080.db2.gz DGUMNSHPIOMKMW-UHFFFAOYSA-N 1 0 383.477 3.379 20 5 GGBDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)cc1[N+](=O)[O-] ZINC000126155374 1415371675 /nfs/dbraw/zinc/37/16/75/1415371675.db2.gz PTPDUZYKPBEMBF-MRXNPFEDSA-N 1 0 397.475 3.454 20 5 GGBDRO Cc1c([C@@H](C)[NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)cccc1[N+](=O)[O-] ZINC000126163645 1415373895 /nfs/dbraw/zinc/37/38/95/1415373895.db2.gz UHJHEMLWNVEIQL-MRXNPFEDSA-N 1 0 397.475 3.454 20 5 GGBDRO Cc1c(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000126215689 1415386056 /nfs/dbraw/zinc/38/60/56/1415386056.db2.gz OHLNMZRFGRDQLD-QGZVFWFLSA-N 1 0 378.429 3.052 20 5 GGBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000126376053 1415430281 /nfs/dbraw/zinc/43/02/81/1415430281.db2.gz WJZAJRHYXUVIGR-UHFFFAOYSA-N 1 0 382.464 3.055 20 5 GGBDRO CC[N@H+](C)Cc1cccc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000126394903 1415436848 /nfs/dbraw/zinc/43/68/48/1415436848.db2.gz AYYCMLACRACMJA-UHFFFAOYSA-N 1 0 397.884 3.178 20 5 GGBDRO Cn1cc(CN2CC[NH+](C3CCCCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000126481789 1415466318 /nfs/dbraw/zinc/46/63/18/1415466318.db2.gz VTVIFJLHASQZOR-UHFFFAOYSA-N 1 0 383.496 3.446 20 5 GGBDRO Cc1nccn1-c1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000126505068 1415472983 /nfs/dbraw/zinc/47/29/83/1415472983.db2.gz YGYSJJNQULKQFW-UHFFFAOYSA-N 1 0 392.463 3.243 20 5 GGBDRO Cc1ccc(CNc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)cc1[N+](=O)[O-] ZINC000126522198 1415476891 /nfs/dbraw/zinc/47/68/91/1415476891.db2.gz UTKKYLHHDFCXMF-UHFFFAOYSA-N 1 0 396.491 3.255 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126674839 1415523731 /nfs/dbraw/zinc/52/37/31/1415523731.db2.gz IWDIHHIUMSSCFX-KSSFIOAISA-N 1 0 377.872 3.266 20 5 GGBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126728024 1415541215 /nfs/dbraw/zinc/54/12/15/1415541215.db2.gz YUNHTAWCVITMAO-OXJNMPFZSA-N 1 0 386.496 3.262 20 5 GGBDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000126780116 1415556189 /nfs/dbraw/zinc/55/61/89/1415556189.db2.gz HIOBDFWXNJBITP-UHFFFAOYSA-N 1 0 378.379 3.469 20 5 GGBDRO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)cc1[N+](=O)[O-] ZINC000126887025 1415595323 /nfs/dbraw/zinc/59/53/23/1415595323.db2.gz KYHLKQPIGAUYFE-UHFFFAOYSA-N 1 0 383.448 3.360 20 5 GGBDRO COC(=O)c1cc([N+](=O)[O-])c(N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1Cl ZINC000126893991 1415597825 /nfs/dbraw/zinc/59/78/25/1415597825.db2.gz QTIKPPUOMFPDQM-CYBMUJFWSA-N 1 0 381.860 3.490 20 5 GGBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000126990227 1415628738 /nfs/dbraw/zinc/62/87/38/1415628738.db2.gz HILZFQPJWVAPOU-CMDGGOBGSA-N 1 0 395.459 3.451 20 5 GGBDRO CC(C)(C)OC(=O)NCCCOC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000178067386 1428967112 /nfs/dbraw/zinc/96/71/12/1428967112.db2.gz DDZIVOIHJHHAJK-UHFFFAOYSA-N 1 0 393.484 3.491 20 5 GGBDRO C[C@H]1C[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[N@@H+]1Cc1ccccc1 ZINC000127057014 1415649651 /nfs/dbraw/zinc/64/96/51/1415649651.db2.gz DEEODHARPYWTLG-MAUKXSAKSA-N 1 0 392.459 3.398 20 5 GGBDRO CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000127092243 1415659152 /nfs/dbraw/zinc/65/91/52/1415659152.db2.gz PQBJZVZOSHYPIN-UHFFFAOYSA-N 1 0 390.871 3.494 20 5 GGBDRO CC1CCN(Cc2csc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)n2)CC1 ZINC000127115842 1415663924 /nfs/dbraw/zinc/66/39/24/1415663924.db2.gz AAGVSYAXUKKPAO-UHFFFAOYSA-N 1 0 393.444 3.257 20 5 GGBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127219986 1415692481 /nfs/dbraw/zinc/69/24/81/1415692481.db2.gz FNRQXIGIYRJWNI-CQSZACIVSA-N 1 0 386.477 3.276 20 5 GGBDRO O=C(NC[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000178062112 1428964065 /nfs/dbraw/zinc/96/40/65/1428964065.db2.gz ZJHAYFJCMJHQMZ-QGZVFWFLSA-N 1 0 383.448 3.116 20 5 GGBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCCCC2 ZINC000127384524 1415760530 /nfs/dbraw/zinc/76/05/30/1415760530.db2.gz WOOVIQQUQFRIOK-QZTJIDSGSA-N 1 0 375.469 3.253 20 5 GGBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCCCC2 ZINC000127384783 1415760676 /nfs/dbraw/zinc/76/06/76/1415760676.db2.gz WOOVIQQUQFRIOK-MSOLQXFVSA-N 1 0 375.469 3.253 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000127743769 1415842945 /nfs/dbraw/zinc/84/29/45/1415842945.db2.gz SNCHGJPYICDTJS-NVXWUHKLSA-N 1 0 392.500 3.470 20 5 GGBDRO O=C(C[NH2+][C@H]1CCCC[C@@H]1n1cccn1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000128002527 1415890794 /nfs/dbraw/zinc/89/07/94/1415890794.db2.gz VZSGMJCATFEPLM-ZFWWWQNUSA-N 1 0 377.832 3.157 20 5 GGBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000128209415 1415939709 /nfs/dbraw/zinc/93/97/09/1415939709.db2.gz UYMNAKRMCCFKPC-SFHVURJKSA-N 1 0 389.499 3.099 20 5 GGBDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C[C@@H](C)O1 ZINC000178233320 1429025388 /nfs/dbraw/zinc/02/53/88/1429025388.db2.gz OBESSMBQKAEETM-ZIAGYGMSSA-N 1 0 381.498 3.008 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000178249460 1429033149 /nfs/dbraw/zinc/03/31/49/1429033149.db2.gz ZOJLPLLZHGJHTK-IRXDYDNUSA-N 1 0 389.496 3.255 20 5 GGBDRO O=C(CC[NH+]1CCC(OC2CCCC2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128425099 1415983872 /nfs/dbraw/zinc/98/38/72/1415983872.db2.gz DKKFMCLSLNRYKA-UHFFFAOYSA-N 1 0 379.432 3.486 20 5 GGBDRO Cc1c(C(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000178260567 1429036036 /nfs/dbraw/zinc/03/60/36/1429036036.db2.gz GIKVDISNPOXBLD-HOTGVXAUSA-N 1 0 389.496 3.255 20 5 GGBDRO Cn1cc(C[NH2+]Cc2cccc3c2OCCCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000128486335 1415998021 /nfs/dbraw/zinc/99/80/21/1415998021.db2.gz UFGYTVZUQOKLJH-UHFFFAOYSA-N 1 0 394.431 3.446 20 5 GGBDRO CC1CCC([NH+]2CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC2)CC1 ZINC000128656445 1416035382 /nfs/dbraw/zinc/03/53/82/1416035382.db2.gz FQXRLOACJKQGFK-UHFFFAOYSA-N 1 0 392.475 3.259 20 5 GGBDRO Cc1nn(CCC(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)c(C)c1[N+](=O)[O-] ZINC000128676794 1416040002 /nfs/dbraw/zinc/04/00/02/1416040002.db2.gz SCGDSKGDFSYQGS-UHFFFAOYSA-N 1 0 385.468 3.341 20 5 GGBDRO O=C(CC[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128898770 1416095709 /nfs/dbraw/zinc/09/57/09/1416095709.db2.gz VRKNXALNLLOBEW-SUMWQHHRSA-N 1 0 391.399 3.244 20 5 GGBDRO O=C(CC[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128899013 1416096007 /nfs/dbraw/zinc/09/60/07/1416096007.db2.gz VRKNXALNLLOBEW-GUYCJALGSA-N 1 0 391.399 3.244 20 5 GGBDRO CCO[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C12CCC2 ZINC000128928173 1416104532 /nfs/dbraw/zinc/10/45/32/1416104532.db2.gz XTKVWFKVWFCAFK-IRXDYDNUSA-N 1 0 379.432 3.342 20 5 GGBDRO CC1CC[NH+](C2CCC(NC(=O)Cc3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000128939597 1416108765 /nfs/dbraw/zinc/10/87/65/1416108765.db2.gz AWIMMFVTKJAJQK-UHFFFAOYSA-N 1 0 377.460 3.436 20 5 GGBDRO CC1CC[NH+](C2CCC(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)CC2)CC1 ZINC000129008422 1416124283 /nfs/dbraw/zinc/12/42/83/1416124283.db2.gz BTNNPPOLRVDYIA-UHFFFAOYSA-N 1 0 378.448 3.089 20 5 GGBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000129033650 1416130434 /nfs/dbraw/zinc/13/04/34/1416130434.db2.gz LZNPUDUREBKJEN-UHFFFAOYSA-N 1 0 383.448 3.097 20 5 GGBDRO CCCC[N@H+](C)CC1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000178385746 1429066975 /nfs/dbraw/zinc/06/69/75/1429066975.db2.gz XEAAYZPOJYCRAD-UHFFFAOYSA-N 1 0 388.512 3.435 20 5 GGBDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000129303934 1416188341 /nfs/dbraw/zinc/18/83/41/1416188341.db2.gz NQHQTZSOCDZQII-UHFFFAOYSA-N 1 0 377.485 3.114 20 5 GGBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H]1CN(C)CCO1 ZINC000129340179 1416193972 /nfs/dbraw/zinc/19/39/72/1416193972.db2.gz IEGIODPSMZDZFV-KZULUSFZSA-N 1 0 379.844 3.317 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000129390972 1416201828 /nfs/dbraw/zinc/20/18/28/1416201828.db2.gz ZNCKVHPRNYTARY-UHFFFAOYSA-N 1 0 382.464 3.077 20 5 GGBDRO C[C@@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@H]1CN(C)CCO1 ZINC000129429232 1416207922 /nfs/dbraw/zinc/20/79/22/1416207922.db2.gz UUPDGFLEINUHNA-JLTOFOAXSA-N 1 0 389.427 3.335 20 5 GGBDRO C[N@@H+]1CCC[C@H]1CCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000178440073 1429077650 /nfs/dbraw/zinc/07/76/50/1429077650.db2.gz YBPQFIREQRZKQZ-HNNXBMFYSA-N 1 0 386.418 3.220 20 5 GGBDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129572453 1416230447 /nfs/dbraw/zinc/23/04/47/1416230447.db2.gz OOCFKWUUCLCYFR-MRXNPFEDSA-N 1 0 375.404 3.240 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CC[NH+](C4CCOCC4)CC3)cs2)c1 ZINC000129724581 1416254332 /nfs/dbraw/zinc/25/43/32/1416254332.db2.gz BIHHMJWUHSXQSK-UHFFFAOYSA-N 1 0 388.493 3.015 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2C=C[C@H](CO)C2)cc1 ZINC000129771791 1416261417 /nfs/dbraw/zinc/26/14/17/1416261417.db2.gz OEPLPLSPMLLSPE-QFBILLFUSA-N 1 0 390.443 3.474 20 5 GGBDRO C[NH+](C)CC1CCC(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000129797720 1416265258 /nfs/dbraw/zinc/26/52/58/1416265258.db2.gz DBVRXXSLSGOQDG-UHFFFAOYSA-N 1 0 388.512 3.048 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)NC[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-])c1ccccn1 ZINC000130351706 1416363321 /nfs/dbraw/zinc/36/33/21/1416363321.db2.gz KTIQNXDUVHJESU-HOCLYGCPSA-N 1 0 383.452 3.035 20 5 GGBDRO C[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 ZINC000130362542 1416364752 /nfs/dbraw/zinc/36/47/52/1416364752.db2.gz CRMNAJAYTFPMQE-UHFFFAOYSA-N 1 0 382.464 3.279 20 5 GGBDRO Cc1cc(F)cc(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000130621037 1416412013 /nfs/dbraw/zinc/41/20/13/1416412013.db2.gz PAZGGUJHGYVNGI-UHFFFAOYSA-N 1 0 389.427 3.303 20 5 GGBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000130660871 1416419104 /nfs/dbraw/zinc/41/91/04/1416419104.db2.gz KQVCVMWEBPURHO-INIZCTEOSA-N 1 0 385.468 3.022 20 5 GGBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000130657651 1416419391 /nfs/dbraw/zinc/41/93/91/1416419391.db2.gz OKOZLCBNQWSMKU-KRWDZBQOSA-N 1 0 388.512 3.437 20 5 GGBDRO CC[NH+](CC)[C@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000130725037 1416435016 /nfs/dbraw/zinc/43/50/16/1416435016.db2.gz XLASANYGDHRVLY-LJQANCHMSA-N 1 0 391.493 3.097 20 5 GGBDRO Cn1cc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(-c2cccnc2)n1 ZINC000130728668 1416436357 /nfs/dbraw/zinc/43/63/57/1416436357.db2.gz VVDGIGQDJCBPCF-UHFFFAOYSA-N 1 0 393.447 3.434 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)C1CC1 ZINC000178524500 1429096464 /nfs/dbraw/zinc/09/64/64/1429096464.db2.gz STPWMQRXDFAZAF-GOSISDBHSA-N 1 0 383.496 3.456 20 5 GGBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000130743218 1416440196 /nfs/dbraw/zinc/44/01/96/1416440196.db2.gz JZJLFZIQJOFQIR-IRXDYDNUSA-N 1 0 399.495 3.268 20 5 GGBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000130745264 1416440771 /nfs/dbraw/zinc/44/07/71/1416440771.db2.gz UZFBOJJHHDMABR-INIZCTEOSA-N 1 0 376.501 3.497 20 5 GGBDRO COc1cc(OC)cc([C@H](O)C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000130872274 1416472569 /nfs/dbraw/zinc/47/25/69/1416472569.db2.gz KQUFQAMUIURYHY-TZIWHRDSSA-N 1 0 386.448 3.256 20 5 GGBDRO C[NH+](C)CC1CCN(c2ccc(NC(=O)c3ccc(N)c([N+](=O)[O-])c3)cc2)CC1 ZINC000130908444 1416479419 /nfs/dbraw/zinc/47/94/19/1416479419.db2.gz NMWMPBWXHYUHPS-UHFFFAOYSA-N 1 0 397.479 3.207 20 5 GGBDRO [NH3+]C[C@H]1CCCCN1C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000130972532 1416489667 /nfs/dbraw/zinc/48/96/67/1416489667.db2.gz RTWASHDTMOHVFX-SNVBAGLBSA-N 1 0 398.250 3.041 20 5 GGBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000131022341 1416497405 /nfs/dbraw/zinc/49/74/05/1416497405.db2.gz UKLVOCPIYLSLEO-AUUYWEPGSA-N 1 0 399.447 3.034 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@@H](CN4CCOCC4)C3)o2)c1 ZINC000131116427 1416511489 /nfs/dbraw/zinc/51/14/89/1416511489.db2.gz SIIVJQXXFJOXMO-KRWDZBQOSA-N 1 0 385.464 3.399 20 5 GGBDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000131128636 1416513085 /nfs/dbraw/zinc/51/30/85/1416513085.db2.gz ZRVXJZMTSFPBOY-UHFFFAOYSA-N 1 0 397.903 3.459 20 5 GGBDRO O=C(NCCC[NH+](Cc1ccccc1)Cc1ccccc1)c1[nH]ncc1[N+](=O)[O-] ZINC000131213402 1416524140 /nfs/dbraw/zinc/52/41/40/1416524140.db2.gz JLZQFEHRFUEDTM-UHFFFAOYSA-N 1 0 393.447 3.140 20 5 GGBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000131297386 1416536548 /nfs/dbraw/zinc/53/65/48/1416536548.db2.gz DNFSPQOGCMMDNY-QGZVFWFLSA-N 1 0 386.496 3.286 20 5 GGBDRO COc1cc(C[NH2+]CCc2ccccn2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000131299289 1416537092 /nfs/dbraw/zinc/53/70/92/1416537092.db2.gz ZEQRCWWWFUPLQS-UHFFFAOYSA-N 1 0 385.342 3.272 20 5 GGBDRO C[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[N@@H+]1CCc2ccccc2C1 ZINC000131323855 1416540250 /nfs/dbraw/zinc/54/02/50/1416540250.db2.gz XKPBHANMAKQKRZ-OAHLLOKOSA-N 1 0 392.459 3.182 20 5 GGBDRO CN(C(=O)CCc1cccc([N+](=O)[O-])c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000131353951 1416544300 /nfs/dbraw/zinc/54/43/00/1416544300.db2.gz SHPXDSHGKCRJDJ-UHFFFAOYSA-N 1 0 396.491 3.088 20 5 GGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)c1 ZINC000131455453 1416560743 /nfs/dbraw/zinc/56/07/43/1416560743.db2.gz KWBVFFBWYOBJAZ-IBGZPJMESA-N 1 0 375.856 3.411 20 5 GGBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000131465590 1416561915 /nfs/dbraw/zinc/56/19/15/1416561915.db2.gz IPHSUEPEVQYTQG-GOSISDBHSA-N 1 0 382.464 3.373 20 5 GGBDRO Cc1ccc(C[NH+]2CCCC2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000131478721 1416564007 /nfs/dbraw/zinc/56/40/07/1416564007.db2.gz RKWILXVNJRPGDD-UHFFFAOYSA-N 1 0 375.450 3.300 20 5 GGBDRO CS(=O)(=O)Cc1cccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000131538369 1416573133 /nfs/dbraw/zinc/57/31/33/1416573133.db2.gz PSJQVBGUJZEAFO-LJQANCHMSA-N 1 0 388.489 3.250 20 5 GGBDRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@H]2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000131765053 1416615521 /nfs/dbraw/zinc/61/55/21/1416615521.db2.gz URFFCTVEZGXXOT-QGZVFWFLSA-N 1 0 389.477 3.030 20 5 GGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCCS2(=O)=O)ccc1Oc1ccc(F)cc1 ZINC000131816738 1416628002 /nfs/dbraw/zinc/62/80/02/1416628002.db2.gz RLIMWXDMQYEPJO-MRXNPFEDSA-N 1 0 394.424 3.193 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000131874333 1416639179 /nfs/dbraw/zinc/63/91/79/1416639179.db2.gz SDEZYNZSBSUFGS-OAHLLOKOSA-N 1 0 398.419 3.240 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000131874560 1416639322 /nfs/dbraw/zinc/63/93/22/1416639322.db2.gz SDEZYNZSBSUFGS-HNNXBMFYSA-N 1 0 398.419 3.240 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000131904404 1416646496 /nfs/dbraw/zinc/64/64/96/1416646496.db2.gz GIULJALWOLKZKR-SFHVURJKSA-N 1 0 397.475 3.487 20 5 GGBDRO COc1cc(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000131924730 1416652333 /nfs/dbraw/zinc/65/23/33/1416652333.db2.gz PLNIZKKNNFMOKJ-MRXNPFEDSA-N 1 0 383.448 3.340 20 5 GGBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000131945371 1416656812 /nfs/dbraw/zinc/65/68/12/1416656812.db2.gz NTCMSYGESFUBSS-UHFFFAOYSA-N 1 0 384.411 3.257 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000131976407 1416664203 /nfs/dbraw/zinc/66/42/03/1416664203.db2.gz LMWHLKJVJJJPQR-MRXNPFEDSA-N 1 0 375.469 3.188 20 5 GGBDRO CCC[C@@H]([NH2+]Cc1cccc(S(=O)(=O)NC)c1)c1cccc([N+](=O)[O-])c1 ZINC000132014717 1416674338 /nfs/dbraw/zinc/67/43/38/1416674338.db2.gz VBOFRNMRTNGQMD-GOSISDBHSA-N 1 0 377.466 3.134 20 5 GGBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C2)CC1 ZINC000132017982 1416675200 /nfs/dbraw/zinc/67/52/00/1416675200.db2.gz IGZZAZAYARAESO-HNNXBMFYSA-N 1 0 390.440 3.087 20 5 GGBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000132134589 1416705152 /nfs/dbraw/zinc/70/51/52/1416705152.db2.gz XSVOSIYKTNAZSD-VQIMIIECSA-N 1 0 399.495 3.001 20 5 GGBDRO Cc1c(C(=O)NCCC[NH+]2CCCCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000132276251 1416727522 /nfs/dbraw/zinc/72/75/22/1416727522.db2.gz RTURSUMKMJLOLB-UHFFFAOYSA-N 1 0 378.429 3.116 20 5 GGBDRO O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1 ZINC000132314928 1416733725 /nfs/dbraw/zinc/73/37/25/1416733725.db2.gz BILPXZHQWCBVKV-UHFFFAOYSA-N 1 0 375.450 3.034 20 5 GGBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000132414871 1416755805 /nfs/dbraw/zinc/75/58/05/1416755805.db2.gz CWBMFIGLDUDBSG-OAHLLOKOSA-N 1 0 383.452 3.015 20 5 GGBDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178639914 1429127071 /nfs/dbraw/zinc/12/70/71/1429127071.db2.gz TYPSNUAKIPAYOI-HNNXBMFYSA-N 1 0 391.493 3.476 20 5 GGBDRO Cc1c(C(=O)N2CCC(CCC[NH+](C)C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000132471746 1416767885 /nfs/dbraw/zinc/76/78/85/1416767885.db2.gz QJFHVJXEFPINAR-UHFFFAOYSA-N 1 0 378.429 3.005 20 5 GGBDRO C[C@@H]1C[C@H](N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000132486383 1416771260 /nfs/dbraw/zinc/77/12/60/1416771260.db2.gz YRWHQBQIGICZDU-YLJYHZDGSA-N 1 0 397.475 3.485 20 5 GGBDRO C[C@@H]1C[C@@H](N(C)C(=O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000132524876 1416778117 /nfs/dbraw/zinc/77/81/17/1416778117.db2.gz VWBWEUADDBFZEV-MJGOQNOKSA-N 1 0 397.475 3.485 20 5 GGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000132532733 1416779980 /nfs/dbraw/zinc/77/99/80/1416779980.db2.gz IZFBVTAXOQNEBU-ICSRJNTNSA-N 1 0 385.464 3.125 20 5 GGBDRO C[C@@H]([NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178648027 1429128475 /nfs/dbraw/zinc/12/84/75/1429128475.db2.gz AQOKZAXGZYGGAT-OAHLLOKOSA-N 1 0 383.448 3.146 20 5 GGBDRO C[NH+](C)CCc1ccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000132583436 1416788268 /nfs/dbraw/zinc/78/82/68/1416788268.db2.gz RXTMYCOVDBQQPW-UHFFFAOYSA-N 1 0 379.420 3.137 20 5 GGBDRO COc1ccc(C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C(C)(C)C)c(OC)c1 ZINC000132593690 1416790380 /nfs/dbraw/zinc/79/03/80/1416790380.db2.gz NOFFQWOXKDDRKJ-UHFFFAOYSA-N 1 0 389.452 3.074 20 5 GGBDRO O=C(NCC[N@@H+]1CCc2ccccc2C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000132738395 1416809637 /nfs/dbraw/zinc/80/96/37/1416809637.db2.gz KUKOWAQCRGVLBY-UHFFFAOYSA-N 1 0 394.475 3.327 20 5 GGBDRO CCCCNC(=O)C1([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCCCC1 ZINC000132802500 1416816895 /nfs/dbraw/zinc/81/68/95/1416816895.db2.gz XXKIJSBWNNMOSK-UHFFFAOYSA-N 1 0 390.484 3.051 20 5 GGBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000133186354 1416862170 /nfs/dbraw/zinc/86/21/70/1416862170.db2.gz XCQJAYLRKRAHFH-UHFFFAOYSA-N 1 0 375.375 3.267 20 5 GGBDRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000133192047 1416862881 /nfs/dbraw/zinc/86/28/81/1416862881.db2.gz SYKKHHGZKHCMJJ-UHFFFAOYSA-N 1 0 375.375 3.267 20 5 GGBDRO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2=O)c1 ZINC000178681411 1429138553 /nfs/dbraw/zinc/13/85/53/1429138553.db2.gz IVXOQCPKQMULIK-LIRRHRJNSA-N 1 0 399.447 3.377 20 5 GGBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000178681079 1429138761 /nfs/dbraw/zinc/13/87/61/1429138761.db2.gz POCIORVXODDFAT-ZIAGYGMSSA-N 1 0 385.420 3.352 20 5 GGBDRO CC[C@H]([NH2+][C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000178671128 1429134808 /nfs/dbraw/zinc/13/48/08/1429134808.db2.gz XUYXUCACUYRHPJ-PMACEKPBSA-N 1 0 399.447 3.458 20 5 GGBDRO CC[C@H]([NH2+][C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000178671097 1429134827 /nfs/dbraw/zinc/13/48/27/1429134827.db2.gz XUYXUCACUYRHPJ-VQTJNVASSA-N 1 0 399.447 3.458 20 5 GGBDRO O=C(C[NH2+][C@H]1CCC[C@@H]1c1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000133647532 1416930237 /nfs/dbraw/zinc/93/02/37/1416930237.db2.gz DRLQGUSDLVAHOD-CABCVRRESA-N 1 0 383.404 3.188 20 5 GGBDRO O=C(C[NH2+][C@H]1CCC[C@H]1c1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000133647358 1416930670 /nfs/dbraw/zinc/93/06/70/1416930670.db2.gz DRLQGUSDLVAHOD-GJZGRUSLSA-N 1 0 383.404 3.188 20 5 GGBDRO C[N@@H+]1CCC[C@@H]2CN(c3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000133667229 1416935335 /nfs/dbraw/zinc/93/53/35/1416935335.db2.gz XHZCABUZUPBJFR-PWSUYJOCSA-N 1 0 388.346 3.442 20 5 GGBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(OC(F)F)c1 ZINC000133708626 1416948040 /nfs/dbraw/zinc/94/80/40/1416948040.db2.gz RWSSQNVLPNBGRB-WFASDCNBSA-N 1 0 382.363 3.287 20 5 GGBDRO COc1cc(C(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000134013393 1417009851 /nfs/dbraw/zinc/00/98/51/1417009851.db2.gz TWAFLMJFBNTXKH-AEFFLSMTSA-N 1 0 381.432 3.360 20 5 GGBDRO CN(CC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000134079743 1417019113 /nfs/dbraw/zinc/01/91/13/1417019113.db2.gz UOIDYDCKEDUNQX-UHFFFAOYSA-N 1 0 382.464 3.375 20 5 GGBDRO CC[C@H](O)C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000134506424 1417078460 /nfs/dbraw/zinc/07/84/60/1417078460.db2.gz RRXMWIINERVYHT-SFHVURJKSA-N 1 0 399.447 3.166 20 5 GGBDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccccc1O2 ZINC000134533911 1417083524 /nfs/dbraw/zinc/08/35/24/1417083524.db2.gz NKJPNHXNCNVMAO-QGZVFWFLSA-N 1 0 399.422 3.452 20 5 GGBDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccccc1O2 ZINC000134533888 1417083617 /nfs/dbraw/zinc/08/36/17/1417083617.db2.gz NKJPNHXNCNVMAO-KRWDZBQOSA-N 1 0 399.422 3.452 20 5 GGBDRO C[C@H](CCS(C)(=O)=O)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000134585327 1417091802 /nfs/dbraw/zinc/09/18/02/1417091802.db2.gz BRHADPZEZSAHIQ-OAHLLOKOSA-N 1 0 391.493 3.276 20 5 GGBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000134587707 1417092237 /nfs/dbraw/zinc/09/22/37/1417092237.db2.gz CUKGLJGGBOCWAN-UHFFFAOYSA-N 1 0 396.447 3.335 20 5 GGBDRO C[C@@H](CCS(C)(=O)=O)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000134594187 1417093937 /nfs/dbraw/zinc/09/39/37/1417093937.db2.gz BJUJRCMGNQCVBE-ZDUSSCGKSA-N 1 0 396.440 3.439 20 5 GGBDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000134651629 1417106067 /nfs/dbraw/zinc/10/60/67/1417106067.db2.gz HQZVNJPTXPUBPK-HUUCEWRRSA-N 1 0 379.457 3.351 20 5 GGBDRO C[C@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[N@H+](C)Cc1ccccc1 ZINC000134664152 1417109478 /nfs/dbraw/zinc/10/94/78/1417109478.db2.gz HORGKZXHLVLPOU-MRXNPFEDSA-N 1 0 393.447 3.031 20 5 GGBDRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000134669195 1417110381 /nfs/dbraw/zinc/11/03/81/1417110381.db2.gz YNYMRJXQJABAJI-GJZGRUSLSA-N 1 0 379.457 3.351 20 5 GGBDRO CSc1ccc(C(=O)c2ccccc2C(=O)NC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000178726963 1429153651 /nfs/dbraw/zinc/15/36/51/1429153651.db2.gz PNCHQXFMTSTRGO-CQSZACIVSA-N 1 0 399.472 3.030 20 5 GGBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000134769573 1417122845 /nfs/dbraw/zinc/12/28/45/1417122845.db2.gz IMSHXNUTJSZFNK-SFHVURJKSA-N 1 0 397.479 3.011 20 5 GGBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000134824773 1417131818 /nfs/dbraw/zinc/13/18/18/1417131818.db2.gz SVMJHSBOXJSIKT-IBGZPJMESA-N 1 0 392.459 3.399 20 5 GGBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(Sc3ccc(Cl)cc3)CC2)c1 ZINC000134859414 1417135228 /nfs/dbraw/zinc/13/52/28/1417135228.db2.gz BFXABBMWCIKOSL-OAHLLOKOSA-N 1 0 396.900 3.062 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134902120 1417141877 /nfs/dbraw/zinc/14/18/77/1417141877.db2.gz MPSZZWWAEFVIDN-UZLBHIALSA-N 1 0 386.496 3.181 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)n2)cc1 ZINC000134933933 1417147546 /nfs/dbraw/zinc/14/75/46/1417147546.db2.gz MPLSCPMXUKBRAY-CRAIPNDOSA-N 1 0 383.452 3.094 20 5 GGBDRO O=C(CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)NC(=O)Nc1ccccc1 ZINC000135233885 1417193112 /nfs/dbraw/zinc/19/31/12/1417193112.db2.gz MXQZPRAGYLYXMX-UHFFFAOYSA-N 1 0 382.420 3.298 20 5 GGBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000136016950 1417286571 /nfs/dbraw/zinc/28/65/71/1417286571.db2.gz QUHNFRXRLZLRRV-SECBINFHSA-N 1 0 392.681 3.471 20 5 GGBDRO CC1CC[NH+](CCCCNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000136163759 1417297046 /nfs/dbraw/zinc/29/70/46/1417297046.db2.gz BFLRYTGJHAEEKF-UHFFFAOYSA-N 1 0 385.468 3.022 20 5 GGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000136494903 1417321026 /nfs/dbraw/zinc/32/10/26/1417321026.db2.gz WAWLVFKTJNCXEB-OAHLLOKOSA-N 1 0 384.354 3.434 20 5 GGBDRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000137037650 1417363842 /nfs/dbraw/zinc/36/38/42/1417363842.db2.gz OSWAFZJBTGMZNZ-UHFFFAOYSA-N 1 0 381.860 3.013 20 5 GGBDRO Cc1c(C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000137489428 1417388713 /nfs/dbraw/zinc/38/87/13/1417388713.db2.gz DNGHZHKWZXMBSV-BBRMVZONSA-N 1 0 398.419 3.204 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000138257524 1417408963 /nfs/dbraw/zinc/40/89/63/1417408963.db2.gz KZJBLFUBCFGUFJ-LSDHHAIUSA-N 1 0 395.525 3.184 20 5 GGBDRO O=c1cc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c2c(ccc3ccccc32)o1 ZINC000178827699 1429185852 /nfs/dbraw/zinc/18/58/52/1429185852.db2.gz DPZGRAHZFJVIEZ-KRWDZBQOSA-N 1 0 378.472 3.100 20 5 GGBDRO Cn1cnc([N+](=O)[O-])c1N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000139593707 1417465608 /nfs/dbraw/zinc/46/56/08/1417465608.db2.gz JCHUAGXQWJLGFC-UHFFFAOYSA-N 1 0 383.374 3.059 20 5 GGBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000140035447 1417485806 /nfs/dbraw/zinc/48/58/06/1417485806.db2.gz YYSIMZSMEQNICY-HNNXBMFYSA-N 1 0 389.477 3.064 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000140301825 1417497727 /nfs/dbraw/zinc/49/77/27/1417497727.db2.gz FTQCKXHKZDSGTR-SFHVURJKSA-N 1 0 384.436 3.473 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2nnc(CN3CC[NH+](CCc4cccs4)CC3)o2)cc1 ZINC000141488482 1417540172 /nfs/dbraw/zinc/54/01/72/1417540172.db2.gz FRPQDHKZFHSNLF-UHFFFAOYSA-N 1 0 399.476 3.067 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CC[NH+](CCc4cccs4)CC3)n2)cc1 ZINC000141534356 1417543475 /nfs/dbraw/zinc/54/34/75/1417543475.db2.gz RITXAWHQKYYQKA-UHFFFAOYSA-N 1 0 399.476 3.067 20 5 GGBDRO CNC(=O)c1ccc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c([N+](=O)[O-])c1 ZINC000142813232 1417599982 /nfs/dbraw/zinc/59/99/82/1417599982.db2.gz QSKNKSDLXJOEAZ-AWEZNQCLSA-N 1 0 388.493 3.340 20 5 GGBDRO Cc1ccc([C@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000143125574 1417614742 /nfs/dbraw/zinc/61/47/42/1417614742.db2.gz OOKMPTSUWZWOEZ-FQEVSTJZSA-N 1 0 383.448 3.235 20 5 GGBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000148412439 1417763863 /nfs/dbraw/zinc/76/38/63/1417763863.db2.gz FIACEFRKOBZLOI-UHFFFAOYSA-N 1 0 389.452 3.052 20 5 GGBDRO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000148851850 1417768676 /nfs/dbraw/zinc/76/86/76/1417768676.db2.gz XAJQHRJQMWICFT-OAHLLOKOSA-N 1 0 388.493 3.368 20 5 GGBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000149624587 1417778374 /nfs/dbraw/zinc/77/83/74/1417778374.db2.gz LGDHVRGUPFJGMJ-IRXDYDNUSA-N 1 0 399.495 3.268 20 5 GGBDRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cc(C)cc([N+](=O)[O-])c3)cc2)CC1 ZINC000150297654 1417788268 /nfs/dbraw/zinc/78/82/68/1417788268.db2.gz GYGKWRWAJALNHW-UHFFFAOYSA-N 1 0 382.464 3.293 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1SC ZINC000150737511 1417794922 /nfs/dbraw/zinc/79/49/22/1417794922.db2.gz WWNJLOFSBCVKNS-AWEZNQCLSA-N 1 0 393.509 3.416 20 5 GGBDRO CCOc1cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000150750714 1417798823 /nfs/dbraw/zinc/79/88/23/1417798823.db2.gz IXCRXWJMMLHMCR-OAHLLOKOSA-N 1 0 391.468 3.093 20 5 GGBDRO CCCN(C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000178885389 1429211032 /nfs/dbraw/zinc/21/10/32/1429211032.db2.gz PJWJNNFWLWIUHL-WBVHZDCISA-N 1 0 397.479 3.377 20 5 GGBDRO Cn1cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000150802311 1417809525 /nfs/dbraw/zinc/80/95/25/1417809525.db2.gz CIQMYZIVRDHNGL-QGZVFWFLSA-N 1 0 397.479 3.086 20 5 GGBDRO CNC(=O)c1ccc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000150875534 1417825781 /nfs/dbraw/zinc/82/57/81/1417825781.db2.gz CVHGQYFVASGURP-APWZRJJASA-N 1 0 396.491 3.444 20 5 GGBDRO CNC(=O)c1ccc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000150875500 1417825914 /nfs/dbraw/zinc/82/59/14/1417825914.db2.gz CVHGQYFVASGURP-QFBILLFUSA-N 1 0 396.491 3.444 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000150912918 1417834008 /nfs/dbraw/zinc/83/40/08/1417834008.db2.gz YWVZKKYRFAULQB-HOTGVXAUSA-N 1 0 397.475 3.490 20 5 GGBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000150966528 1417845392 /nfs/dbraw/zinc/84/53/92/1417845392.db2.gz CZZMLVOSOZNVSH-IAGOWNOFSA-N 1 0 397.475 3.246 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000151119864 1417876418 /nfs/dbraw/zinc/87/64/18/1417876418.db2.gz HKAVBMCZGRHQBA-UHFFFAOYSA-N 1 0 391.468 3.366 20 5 GGBDRO COc1ccccc1[C@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000151226194 1417897593 /nfs/dbraw/zinc/89/75/93/1417897593.db2.gz QQRYEVCHONAJRL-FQEVSTJZSA-N 1 0 397.475 3.489 20 5 GGBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)CO[C@@H]3CCOC3)o2)c([N+](=O)[O-])c1 ZINC000151252498 1417904482 /nfs/dbraw/zinc/90/44/82/1417904482.db2.gz AJPPJCSOFUBVEM-XJKSGUPXSA-N 1 0 376.409 3.147 20 5 GGBDRO COc1cccc([C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)c1 ZINC000151286982 1417915635 /nfs/dbraw/zinc/91/56/35/1417915635.db2.gz KEGDEMSVGRXPQC-OAQYLSRUSA-N 1 0 397.475 3.489 20 5 GGBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000151439525 1417969411 /nfs/dbraw/zinc/96/94/11/1417969411.db2.gz YUZKBXBODFJQKN-UHFFFAOYSA-N 1 0 388.468 3.048 20 5 GGBDRO Cc1ccc([C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)[NH+]2CCCC2)o1 ZINC000151498001 1418003822 /nfs/dbraw/zinc/00/38/22/1418003822.db2.gz QYETVZQYGQWHHX-KRWDZBQOSA-N 1 0 375.400 3.131 20 5 GGBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N(CC[NH+]2CCCC2)c2ccccc2)cc1 ZINC000151672929 1418057539 /nfs/dbraw/zinc/05/75/39/1418057539.db2.gz PWHOSMMJCOKHOQ-UHFFFAOYSA-N 1 0 389.477 3.027 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000151684830 1418060303 /nfs/dbraw/zinc/06/03/03/1418060303.db2.gz ZLJKNDFCKCZGFV-YJBOKZPZSA-N 1 0 387.436 3.413 20 5 GGBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000151767416 1418082869 /nfs/dbraw/zinc/08/28/69/1418082869.db2.gz MNPYFVSHMOODOK-UHFFFAOYSA-N 1 0 394.475 3.327 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000151790406 1418087101 /nfs/dbraw/zinc/08/71/01/1418087101.db2.gz DXCBTRWPUJMLNE-YJBOKZPZSA-N 1 0 387.436 3.413 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000152032965 1418126332 /nfs/dbraw/zinc/12/63/32/1418126332.db2.gz KYCGOKKFIJSONR-QZTJIDSGSA-N 1 0 398.511 3.397 20 5 GGBDRO Cc1ccc([C@@H](C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])N2CCOCC2)o1 ZINC000152039928 1418127805 /nfs/dbraw/zinc/12/78/05/1418127805.db2.gz HXOWOUADLXAOGV-QGZVFWFLSA-N 1 0 379.844 3.313 20 5 GGBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000178988754 1429235906 /nfs/dbraw/zinc/23/59/06/1429235906.db2.gz WLJQDUFTIFPVRQ-UHFFFAOYSA-N 1 0 397.475 3.371 20 5 GGBDRO COc1ccc([C@H](CNC(=O)c2cc(C)ccc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000152265368 1418189558 /nfs/dbraw/zinc/18/95/58/1418189558.db2.gz KZARDNRAXROGJO-FQEVSTJZSA-N 1 0 383.448 3.479 20 5 GGBDRO CN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000179101084 1429262041 /nfs/dbraw/zinc/26/20/41/1429262041.db2.gz JINPHUBXMSQKCB-CQSZACIVSA-N 1 0 375.812 3.474 20 5 GGBDRO O=[N+]([O-])c1c(NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)ccc2ncccc21 ZINC000179261245 1429306966 /nfs/dbraw/zinc/30/69/66/1429306966.db2.gz LCKDWNMRKFXVBZ-IAGOWNOFSA-N 1 0 378.432 3.190 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@H](C4OCCO4)C3)cs2)c1 ZINC000179366291 1429346914 /nfs/dbraw/zinc/34/69/14/1429346914.db2.gz FZGAAUZQCFRRSM-AWEZNQCLSA-N 1 0 375.450 3.303 20 5 GGBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000179450594 1429381047 /nfs/dbraw/zinc/38/10/47/1429381047.db2.gz JNMHPXYDOWAMJH-XOBRGWDASA-N 1 0 382.464 3.094 20 5 GGBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000179450586 1429381411 /nfs/dbraw/zinc/38/14/11/1429381411.db2.gz JNMHPXYDOWAMJH-VBKZILBWSA-N 1 0 382.464 3.094 20 5 GGBDRO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(OC(F)F)cc1 ZINC000179603077 1429466189 /nfs/dbraw/zinc/46/61/89/1429466189.db2.gz UEJVOQJLCBJALI-GFCCVEGCSA-N 1 0 391.374 3.436 20 5 GGBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cc2ccccc2c2cccnc12 ZINC000179610708 1429470103 /nfs/dbraw/zinc/47/01/03/1429470103.db2.gz WATKCBPDFBXPHG-SFHVURJKSA-N 1 0 377.488 3.355 20 5 GGBDRO COc1cc(C)c([C@@H](C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1OC ZINC000179621307 1429474703 /nfs/dbraw/zinc/47/47/03/1429474703.db2.gz KBLZBULVRHIHLT-CQSZACIVSA-N 1 0 399.447 3.160 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CC[NH+](CC4CCOCC4)CC3)o2)c1 ZINC000179626708 1429476927 /nfs/dbraw/zinc/47/69/27/1429476927.db2.gz CNOPRPILDKRZLK-UHFFFAOYSA-N 1 0 385.464 3.399 20 5 GGBDRO COc1cc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)ccc1OCc1ccncc1 ZINC000179699652 1429512763 /nfs/dbraw/zinc/51/27/63/1429512763.db2.gz KOSQRXWJGZGYQI-HNNXBMFYSA-N 1 0 397.435 3.125 20 5 GGBDRO O=C(C[NH2+][C@H](CCCO)c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000179732775 1429527644 /nfs/dbraw/zinc/52/76/44/1429527644.db2.gz NSVIYQFGDGVZDZ-MRXNPFEDSA-N 1 0 377.828 3.290 20 5 GGBDRO COc1ccc([C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)[NH+]2CCCCC2)cc1 ZINC000152318490 1422071019 /nfs/dbraw/zinc/07/10/19/1422071019.db2.gz GJUAPAIYWQCRCU-NRFANRHFSA-N 1 0 397.475 3.489 20 5 GGBDRO C[N@H+](CCCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)Cc1ccccc1 ZINC000152383566 1422089314 /nfs/dbraw/zinc/08/93/14/1422089314.db2.gz JAXZKLPVRRYQJR-UHFFFAOYSA-N 1 0 382.464 3.185 20 5 GGBDRO O=C(C[NH2+][C@@H](CCCO)c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000179732790 1429528027 /nfs/dbraw/zinc/52/80/27/1429528027.db2.gz NSVIYQFGDGVZDZ-INIZCTEOSA-N 1 0 377.828 3.290 20 5 GGBDRO CC(C)[N@H+](C)CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000152565428 1422147298 /nfs/dbraw/zinc/14/72/98/1422147298.db2.gz QNOWGYBUYQHBEA-UHFFFAOYSA-N 1 0 378.654 3.081 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)NCC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000152618664 1422168773 /nfs/dbraw/zinc/16/87/73/1422168773.db2.gz BFHIEUFRAJOWCB-HOTGVXAUSA-N 1 0 397.479 3.282 20 5 GGBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000152623189 1422172729 /nfs/dbraw/zinc/17/27/29/1422172729.db2.gz TVMLHZCFJMPHJM-GOSISDBHSA-N 1 0 392.459 3.399 20 5 GGBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179753336 1429539645 /nfs/dbraw/zinc/53/96/45/1429539645.db2.gz GAUVFUHBJXFNIE-UHFFFAOYSA-N 1 0 383.452 3.048 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179747991 1429536052 /nfs/dbraw/zinc/53/60/52/1429536052.db2.gz FJAMCGZHVXVZOY-NRFANRHFSA-N 1 0 397.431 3.354 20 5 GGBDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000152646273 1422186462 /nfs/dbraw/zinc/18/64/62/1422186462.db2.gz PDGMUSCIJJBHBI-UHFFFAOYSA-N 1 0 376.482 3.223 20 5 GGBDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000152653241 1422190467 /nfs/dbraw/zinc/19/04/67/1422190467.db2.gz IVWSFRBGVCQWGZ-UHFFFAOYSA-N 1 0 376.482 3.223 20 5 GGBDRO O=C(CC[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000179752618 1429538737 /nfs/dbraw/zinc/53/87/37/1429538737.db2.gz LBDWBEIQQSVCEA-NRFANRHFSA-N 1 0 397.431 3.436 20 5 GGBDRO O=C(C[NH2+][C@H](CCCO)c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000179756566 1429541769 /nfs/dbraw/zinc/54/17/69/1429541769.db2.gz VJCSMNZJKBEKAT-OAHLLOKOSA-N 1 0 377.828 3.290 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000152784364 1422246857 /nfs/dbraw/zinc/24/68/57/1422246857.db2.gz DOWBUODZJSRZCI-MRXNPFEDSA-N 1 0 395.525 3.260 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000152784469 1422247127 /nfs/dbraw/zinc/24/71/27/1422247127.db2.gz DOWBUODZJSRZCI-INIZCTEOSA-N 1 0 395.525 3.260 20 5 GGBDRO O=C(C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000179759936 1429545237 /nfs/dbraw/zinc/54/52/37/1429545237.db2.gz QFCHGSHMOUFCHK-HXUWFJFHSA-N 1 0 383.404 3.045 20 5 GGBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000179762950 1429546484 /nfs/dbraw/zinc/54/64/84/1429546484.db2.gz OCONQBULHMPAPU-CYBMUJFWSA-N 1 0 382.420 3.233 20 5 GGBDRO Cc1cccc(NC2CC[NH+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000153030891 1422333212 /nfs/dbraw/zinc/33/32/12/1422333212.db2.gz IWWWGSZMZOJLHZ-HXUWFJFHSA-N 1 0 385.464 3.219 20 5 GGBDRO O=C(Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000153059240 1422343016 /nfs/dbraw/zinc/34/30/16/1422343016.db2.gz LABFAYZXQOJGIU-LJQANCHMSA-N 1 0 391.431 3.491 20 5 GGBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000153070825 1422346542 /nfs/dbraw/zinc/34/65/42/1422346542.db2.gz QZZFELXHHSRJSQ-CQSZACIVSA-N 1 0 392.477 3.389 20 5 GGBDRO C[C@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000179767716 1429550551 /nfs/dbraw/zinc/55/05/51/1429550551.db2.gz IVCJCRLWOAQSQQ-HNNXBMFYSA-N 1 0 382.464 3.465 20 5 GGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000153170373 1422380768 /nfs/dbraw/zinc/38/07/68/1422380768.db2.gz BKXUEMGLUUOSSP-XJKSGUPXSA-N 1 0 378.400 3.223 20 5 GGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000153170043 1422381090 /nfs/dbraw/zinc/38/10/90/1422381090.db2.gz BKXUEMGLUUOSSP-CJNGLKHVSA-N 1 0 378.400 3.223 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000153268825 1422430477 /nfs/dbraw/zinc/43/04/77/1422430477.db2.gz RAAMJWDAVIERIQ-CQSZACIVSA-N 1 0 393.509 3.080 20 5 GGBDRO CCOc1ccc([C@@H](C)[NH2+]CCNC(=O)c2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000153316714 1422465315 /nfs/dbraw/zinc/46/53/15/1422465315.db2.gz GPDRNIDTLKFBRT-CQSZACIVSA-N 1 0 387.436 3.083 20 5 GGBDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000153379074 1422505830 /nfs/dbraw/zinc/50/58/30/1422505830.db2.gz XOXCTIGTKDSSJA-MRXNPFEDSA-N 1 0 386.452 3.378 20 5 GGBDRO CCOc1ccc([C@@H](C)[NH2+]CCCNC(=O)c2cccc(O)c2)cc1[N+](=O)[O-] ZINC000153485446 1422564294 /nfs/dbraw/zinc/56/42/94/1422564294.db2.gz PWQDMOGRBOBFOX-CQSZACIVSA-N 1 0 387.436 3.170 20 5 GGBDRO CCCNC(=O)CN1CCC([NH2+][C@@H](CCC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153487701 1422565822 /nfs/dbraw/zinc/56/58/22/1422565822.db2.gz ZLKNOUWVNTWSHM-IBGZPJMESA-N 1 0 376.501 3.016 20 5 GGBDRO O=[N+]([O-])c1cc(CN2CC[NH+](CCCOCC(F)(F)F)CC2)ccc1Cl ZINC000153493699 1422569323 /nfs/dbraw/zinc/56/93/23/1422569323.db2.gz AXYRKFLJJUPLLL-UHFFFAOYSA-N 1 0 395.809 3.335 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)cc2[N+](=O)[O-])n1 ZINC000153627778 1422658625 /nfs/dbraw/zinc/65/86/25/1422658625.db2.gz UUNCBGJSGHABGC-PHIMTYICSA-N 1 0 392.506 3.333 20 5 GGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000153633503 1422661900 /nfs/dbraw/zinc/66/19/00/1422661900.db2.gz LQPBCOANBVOFLY-OCCSQVGLSA-N 1 0 396.390 3.362 20 5 GGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000153664593 1422689232 /nfs/dbraw/zinc/68/92/32/1422689232.db2.gz VFBDYMKWPGSBKH-IAGOWNOFSA-N 1 0 388.512 3.421 20 5 GGBDRO CC[NH+](CC)Cc1cccc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000153828924 1422784970 /nfs/dbraw/zinc/78/49/70/1422784970.db2.gz MNXMSALPRDQLTJ-UHFFFAOYSA-N 1 0 377.466 3.379 20 5 GGBDRO CN(C[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1)C(=O)OC(C)(C)C ZINC000153835757 1422789303 /nfs/dbraw/zinc/78/93/03/1422789303.db2.gz YKVUUBKERXIXKS-YJBOKZPZSA-N 1 0 393.484 3.207 20 5 GGBDRO CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1)[N@@H+]1CCc2ccccc2C1 ZINC000153996108 1422822839 /nfs/dbraw/zinc/82/28/39/1422822839.db2.gz NFVACOHMDUJNKQ-SFHVURJKSA-N 1 0 383.448 3.170 20 5 GGBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000154062477 1422833954 /nfs/dbraw/zinc/83/39/54/1422833954.db2.gz UCOZIJDFHMEOAO-IEBWSBKVSA-N 1 0 398.507 3.284 20 5 GGBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000154109592 1422841472 /nfs/dbraw/zinc/84/14/72/1422841472.db2.gz MQMQASGAMWSIKJ-KRWDZBQOSA-N 1 0 382.464 3.279 20 5 GGBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000154130370 1422844182 /nfs/dbraw/zinc/84/41/82/1422844182.db2.gz VKOPKQCASAMMOL-UHFFFAOYSA-N 1 0 388.512 3.435 20 5 GGBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000154143373 1422846207 /nfs/dbraw/zinc/84/62/07/1422846207.db2.gz SZRQHUMSMWXZIF-UHFFFAOYSA-N 1 0 385.468 3.199 20 5 GGBDRO COc1ccc(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000154162639 1422848857 /nfs/dbraw/zinc/84/88/57/1422848857.db2.gz FSAWXYNBUZWQQJ-UHFFFAOYSA-N 1 0 375.469 3.332 20 5 GGBDRO CC[NH+](CC)CCN(Cc1cccs1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000154217241 1422856734 /nfs/dbraw/zinc/85/67/34/1422856734.db2.gz ZBJLFGKWFASRNJ-UHFFFAOYSA-N 1 0 376.482 3.104 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1 ZINC000154217448 1422856948 /nfs/dbraw/zinc/85/69/48/1422856948.db2.gz SPAGXPSBJMQZQL-KBPBESRZSA-N 1 0 385.420 3.218 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000154246679 1422861518 /nfs/dbraw/zinc/86/15/18/1422861518.db2.gz APVAOEUFGPAEIT-LJQANCHMSA-N 1 0 388.443 3.345 20 5 GGBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000154260138 1422863631 /nfs/dbraw/zinc/86/36/31/1422863631.db2.gz MXXVTQIZVMYCFW-INIZCTEOSA-N 1 0 388.512 3.435 20 5 GGBDRO CCOc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)c([N+](=O)[O-])cc1OC ZINC000154264926 1422863846 /nfs/dbraw/zinc/86/38/46/1422863846.db2.gz UWGJDNHCTZBFQJ-OAHLLOKOSA-N 1 0 393.484 3.242 20 5 GGBDRO CC1CCC([NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)CC2)CC1 ZINC000154318604 1422872059 /nfs/dbraw/zinc/87/20/59/1422872059.db2.gz WLKWBZOKLCJLOE-UHFFFAOYSA-N 1 0 382.464 3.480 20 5 GGBDRO CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1CCN(c2ccccn2)CC1 ZINC000154385624 1422881920 /nfs/dbraw/zinc/88/19/20/1422881920.db2.gz KIRZGSZTESJMGE-HXUWFJFHSA-N 1 0 384.480 3.262 20 5 GGBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)CC[C@@H]21 ZINC000154393936 1422883211 /nfs/dbraw/zinc/88/32/11/1422883211.db2.gz DQLZEJJVADMBLX-APWZRJJASA-N 1 0 386.496 3.141 20 5 GGBDRO CC(C)C1CCC([NH+]2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000154431628 1422888089 /nfs/dbraw/zinc/88/80/89/1422888089.db2.gz LFRBDHCYIFQSPL-XTXLOEGASA-N 1 0 375.513 3.461 20 5 GGBDRO CCC[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000154448325 1422889720 /nfs/dbraw/zinc/88/97/20/1422889720.db2.gz DBJNRNPBKLSZNV-RBUKOAKNSA-N 1 0 379.526 3.234 20 5 GGBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000154585244 1422945664 /nfs/dbraw/zinc/94/56/64/1422945664.db2.gz XYEZZONOUHCKJI-INIZCTEOSA-N 1 0 377.485 3.075 20 5 GGBDRO COc1ccc(C[N@@H+]2CCC[C@@H](CO)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000154613535 1422962754 /nfs/dbraw/zinc/96/27/54/1422962754.db2.gz PAFCOMMVVOKQIM-GOSISDBHSA-N 1 0 386.448 3.387 20 5 GGBDRO O=C(CC1([NH+]2CCOCC2)CCCC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154618432 1422964985 /nfs/dbraw/zinc/96/49/85/1422964985.db2.gz AGOHZMJIKDLPNQ-UHFFFAOYSA-N 1 0 387.480 3.121 20 5 GGBDRO C[NH+]1CCN(Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)c2)CC1 ZINC000154699979 1423004823 /nfs/dbraw/zinc/00/48/23/1423004823.db2.gz MTSXEXHPHKYTEY-UHFFFAOYSA-N 1 0 388.855 3.248 20 5 GGBDRO CC1CC[NH+](C[C@H]2CCCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)CC1 ZINC000154733077 1423014834 /nfs/dbraw/zinc/01/48/34/1423014834.db2.gz ZGUURIRIZQLBIV-QGZVFWFLSA-N 1 0 389.496 3.405 20 5 GGBDRO Cc1cccc([C@H]2CCCN2CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)n1 ZINC000154792955 1423034472 /nfs/dbraw/zinc/03/44/72/1423034472.db2.gz VZPFVLCLYBTAGT-QGZVFWFLSA-N 1 0 381.436 3.335 20 5 GGBDRO Cc1cccc([C@@H]2CCCN2CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)n1 ZINC000154792850 1423034691 /nfs/dbraw/zinc/03/46/91/1423034691.db2.gz VZPFVLCLYBTAGT-KRWDZBQOSA-N 1 0 381.436 3.335 20 5 GGBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000154805233 1423039927 /nfs/dbraw/zinc/03/99/27/1423039927.db2.gz XMGVFOQFMYWRNP-KBXCAEBGSA-N 1 0 380.448 3.232 20 5 GGBDRO O=[N+]([O-])c1cn(CN2CCC(CCC[NH+]3CCCC3)CC2)nc1-c1ccncc1 ZINC000155073262 1423146169 /nfs/dbraw/zinc/14/61/69/1423146169.db2.gz KDWYHDMOXYOTPL-UHFFFAOYSA-N 1 0 398.511 3.399 20 5 GGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000155104440 1423164651 /nfs/dbraw/zinc/16/46/51/1423164651.db2.gz HHXQYODLYKTSPA-OLZOCXBDSA-N 1 0 397.273 3.448 20 5 GGBDRO CC(C)C[NH+]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000155141729 1423192127 /nfs/dbraw/zinc/19/21/27/1423192127.db2.gz GODQCIJBAZZFGK-UHFFFAOYSA-N 1 0 385.262 3.163 20 5 GGBDRO C[C@H](CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000155145079 1423194692 /nfs/dbraw/zinc/19/46/92/1423194692.db2.gz XZIWMBUSUISEQT-LLVKDONJSA-N 1 0 385.262 3.211 20 5 GGBDRO O=[N+]([O-])c1ccnn1CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000155176440 1423214607 /nfs/dbraw/zinc/21/46/07/1423214607.db2.gz CQXFDTXSTGOWGU-UHFFFAOYSA-N 1 0 375.432 3.136 20 5 GGBDRO C[C@H]([NH2+]Cc1cccc(OCCN2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000155179104 1423216429 /nfs/dbraw/zinc/21/64/29/1423216429.db2.gz OTRTXWVBFYNPAX-KRWDZBQOSA-N 1 0 385.464 3.157 20 5 GGBDRO COc1ccc([C@@H]2CC[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)C2)cc1 ZINC000155339675 1423323334 /nfs/dbraw/zinc/32/33/34/1423323334.db2.gz ACEVOKBZHKGFCL-MRXNPFEDSA-N 1 0 399.447 3.430 20 5 GGBDRO COc1ccc([C@@H]2CC[N@H+](CCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])C2)cc1 ZINC000155339894 1423324258 /nfs/dbraw/zinc/32/42/58/1423324258.db2.gz YUZXTHRKPXSQOG-MRXNPFEDSA-N 1 0 399.447 3.430 20 5 GGBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000155344150 1423326632 /nfs/dbraw/zinc/32/66/32/1423326632.db2.gz LSVGGLJQOFXOJY-INIZCTEOSA-N 1 0 398.463 3.101 20 5 GGBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000155522473 1423398839 /nfs/dbraw/zinc/39/88/39/1423398839.db2.gz WVJLZLYBMLFYKY-MRXNPFEDSA-N 1 0 397.479 3.134 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1cc(F)ccc1OC ZINC000179918911 1429640685 /nfs/dbraw/zinc/64/06/85/1429640685.db2.gz MMUBYUQEMYNHGQ-GFCCVEGCSA-N 1 0 391.399 3.431 20 5 GGBDRO COc1cc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179944312 1429655269 /nfs/dbraw/zinc/65/52/69/1429655269.db2.gz NFQZGWZSLNHBHT-GFCCVEGCSA-N 1 0 396.394 3.350 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000155922743 1423596174 /nfs/dbraw/zinc/59/61/74/1423596174.db2.gz YPUGLUMDRGFOMW-LJQANCHMSA-N 1 0 383.448 3.115 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000155938393 1423602174 /nfs/dbraw/zinc/60/21/74/1423602174.db2.gz DOHDWUAJBWWKBK-FQEVSTJZSA-N 1 0 383.448 3.115 20 5 GGBDRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000179944890 1429656131 /nfs/dbraw/zinc/65/61/31/1429656131.db2.gz UTXUSCKZRBPFBC-IBGZPJMESA-N 1 0 388.489 3.499 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000156156215 1423698674 /nfs/dbraw/zinc/69/86/74/1423698674.db2.gz YTFKZXJUPKXZBW-UHFFFAOYSA-N 1 0 378.454 3.261 20 5 GGBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000156496881 1423818519 /nfs/dbraw/zinc/81/85/19/1423818519.db2.gz NNNXNIGMTFUVMB-UHFFFAOYSA-N 1 0 382.464 3.101 20 5 GGBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(C(=O)N(C)C)cc1 ZINC000156530712 1423823865 /nfs/dbraw/zinc/82/38/65/1423823865.db2.gz GPKVFVSBOJQTLE-UHFFFAOYSA-N 1 0 398.463 3.147 20 5 GGBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000156608072 1423835417 /nfs/dbraw/zinc/83/54/17/1423835417.db2.gz XYOOSYRKQRALIF-CQSZACIVSA-N 1 0 379.432 3.365 20 5 GGBDRO CCOC(=O)c1ccnc(N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000156844248 1423874130 /nfs/dbraw/zinc/87/41/30/1423874130.db2.gz GJPZTVSUKPQMLV-INIZCTEOSA-N 1 0 398.463 3.267 20 5 GGBDRO C[C@@H]1C[C@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000156998529 1423899653 /nfs/dbraw/zinc/89/96/53/1423899653.db2.gz KIAJXVNOVBVEDK-OXQOHEQNSA-N 1 0 396.491 3.179 20 5 GGBDRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]CCOc3ccc([N+](=O)[O-])cc3)ccc2NC1=O ZINC000180003794 1429685214 /nfs/dbraw/zinc/68/52/14/1429685214.db2.gz JUNYTWZPNTZURL-FZKQIMNGSA-N 1 0 385.420 3.434 20 5 GGBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1 ZINC000180005024 1429686270 /nfs/dbraw/zinc/68/62/70/1429686270.db2.gz YUOURJOOAGDXSN-UHFFFAOYSA-N 1 0 385.420 3.095 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(F)c1 ZINC000180010606 1429689900 /nfs/dbraw/zinc/68/99/00/1429689900.db2.gz UCVZZQOHZGVDKY-HNNXBMFYSA-N 1 0 397.353 3.368 20 5 GGBDRO Cc1c([C@H](C)[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000180020280 1429696832 /nfs/dbraw/zinc/69/68/32/1429696832.db2.gz HIZXFJXWNIUCRZ-HNNXBMFYSA-N 1 0 383.514 3.004 20 5 GGBDRO CCC[C@H]([NH2+]C1CCN(S(=O)(=O)CC(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000180014422 1429692027 /nfs/dbraw/zinc/69/20/27/1429692027.db2.gz VZKORXFKIRJAGA-IBGZPJMESA-N 1 0 397.541 3.476 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000157569305 1424039627 /nfs/dbraw/zinc/03/96/27/1424039627.db2.gz DCMAUSXGAIKESP-KRWDZBQOSA-N 1 0 389.496 3.477 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000157762796 1424082420 /nfs/dbraw/zinc/08/24/20/1424082420.db2.gz VHRQEZPMGJFNRY-INIZCTEOSA-N 1 0 391.516 3.030 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])cc2[N+](=O)[O-])n1 ZINC000157780722 1424086408 /nfs/dbraw/zinc/08/64/08/1424086408.db2.gz AYMLAFSQPJZQFQ-CHWSQXEVSA-N 1 0 392.506 3.368 20 5 GGBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000180021436 1429697321 /nfs/dbraw/zinc/69/73/21/1429697321.db2.gz GROVLUVAWQGQCE-CYBMUJFWSA-N 1 0 382.420 3.159 20 5 GGBDRO O=[N+]([O-])c1ccc(N2CCN(CC[NH+]3CCCCC3)CC2)c(C(F)(F)F)c1 ZINC000157808410 1424092345 /nfs/dbraw/zinc/09/23/45/1424092345.db2.gz LWKBBQLVVHZCQP-UHFFFAOYSA-N 1 0 386.418 3.222 20 5 GGBDRO Cn1cc(C[NH+]2CCN(c3ccc(O)cc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000157883468 1424112082 /nfs/dbraw/zinc/11/20/82/1424112082.db2.gz SXMSNCVRPFBEBJ-UHFFFAOYSA-N 1 0 393.447 3.023 20 5 GGBDRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]CCOc3ccccc3[N+](=O)[O-])ccc2NC1=O ZINC000180023767 1429699890 /nfs/dbraw/zinc/69/98/90/1429699890.db2.gz OPURRMQIFNKYAW-CXAGYDPISA-N 1 0 385.420 3.434 20 5 GGBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](c3ccccc3OC)C2)c([N+](=O)[O-])c1 ZINC000157988000 1424135336 /nfs/dbraw/zinc/13/53/36/1424135336.db2.gz USMADBAPMRDVFX-HNNXBMFYSA-N 1 0 399.447 3.430 20 5 GGBDRO CC[C@H]([NH2+]C1CCN(S(=O)(=O)CC(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000180026294 1429701625 /nfs/dbraw/zinc/70/16/25/1429701625.db2.gz WLBNIOXPMCYAJU-SFHVURJKSA-N 1 0 383.514 3.086 20 5 GGBDRO CC[N@H+](CC(C)(C)O)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000158151608 1424180138 /nfs/dbraw/zinc/18/01/38/1424180138.db2.gz BHAMQXUGXVMXOY-LBPRGKRZSA-N 1 0 392.481 3.138 20 5 GGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000158183959 1424188427 /nfs/dbraw/zinc/18/84/27/1424188427.db2.gz CDCBLLQYVTXGJY-QGZVFWFLSA-N 1 0 385.247 3.430 20 5 GGBDRO Cc1ccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c(C[NH+](C)C)c1 ZINC000158234113 1424202921 /nfs/dbraw/zinc/20/29/21/1424202921.db2.gz BJZBZSFBPNRXNJ-UHFFFAOYSA-N 1 0 379.420 3.403 20 5 GGBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000158267294 1424213774 /nfs/dbraw/zinc/21/37/74/1424213774.db2.gz QBWGVIZAESDTQK-UHFFFAOYSA-N 1 0 395.525 3.184 20 5 GGBDRO CC(C)c1ccc(C[NH2+]CCN(C)S(=O)(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000158279612 1424215927 /nfs/dbraw/zinc/21/59/27/1424215927.db2.gz YKYHJAVPCUTBFI-UHFFFAOYSA-N 1 0 397.522 3.190 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000158551857 1424288115 /nfs/dbraw/zinc/28/81/15/1424288115.db2.gz ALZGOJHKBVSTMV-JOCHJYFZSA-N 1 0 395.459 3.406 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000158573173 1424293420 /nfs/dbraw/zinc/29/34/20/1424293420.db2.gz BHBLBKCLNHLGFJ-NRFANRHFSA-N 1 0 397.431 3.221 20 5 GGBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000158610566 1424301966 /nfs/dbraw/zinc/30/19/66/1424301966.db2.gz YIZOGMAKQRCMEK-UHFFFAOYSA-N 1 0 386.427 3.355 20 5 GGBDRO CC(C)(C)C(=O)N1CCC(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000158618322 1424303115 /nfs/dbraw/zinc/30/31/15/1424303115.db2.gz ONYIFWGBHKENLS-UHFFFAOYSA-N 1 0 388.512 3.002 20 5 GGBDRO COc1cccc(COCC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000158644099 1424309005 /nfs/dbraw/zinc/30/90/05/1424309005.db2.gz GEEYXVWNRVIHNJ-UHFFFAOYSA-N 1 0 396.447 3.310 20 5 GGBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000158929610 1424374534 /nfs/dbraw/zinc/37/45/34/1424374534.db2.gz YPSTWNYSODKYFV-UHFFFAOYSA-N 1 0 395.525 3.013 20 5 GGBDRO COc1cccc([C@@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000159098604 1424417287 /nfs/dbraw/zinc/41/72/87/1424417287.db2.gz IMBKLRGCAVOGGU-LJQANCHMSA-N 1 0 387.411 3.309 20 5 GGBDRO COc1ccccc1[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1C)[NH+]1CCCC1 ZINC000159549917 1424512794 /nfs/dbraw/zinc/51/27/94/1424512794.db2.gz BNCSDXLXUSHUAL-FQEVSTJZSA-N 1 0 397.475 3.408 20 5 GGBDRO C[NH+](C)Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1F ZINC000159551033 1424512865 /nfs/dbraw/zinc/51/28/65/1424512865.db2.gz WZNATZRGTQIAAZ-UHFFFAOYSA-N 1 0 382.395 3.274 20 5 GGBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])c(C)c2)CC1 ZINC000159594312 1424516486 /nfs/dbraw/zinc/51/64/86/1424516486.db2.gz AHCRVLQORQBCRD-UHFFFAOYSA-N 1 0 386.427 3.437 20 5 GGBDRO Cc1c(NC(=O)CC[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)cccc1[N+](=O)[O-] ZINC000159653215 1424521341 /nfs/dbraw/zinc/52/13/41/1424521341.db2.gz UYMUUPSOYKYZCU-QFIPXVFZSA-N 1 0 395.459 3.406 20 5 GGBDRO COc1cccc([C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2C)[NH+]2CCCC2)c1 ZINC000159673155 1424523035 /nfs/dbraw/zinc/52/30/35/1424523035.db2.gz CHVRHXQYKUAXOJ-NRFANRHFSA-N 1 0 397.475 3.408 20 5 GGBDRO COc1ccc2[nH]cc(C3CC[NH+](CCn4cc([N+](=O)[O-])ccc4=O)CC3)c2c1 ZINC000159774477 1424533458 /nfs/dbraw/zinc/53/34/58/1424533458.db2.gz SGJARNCQYPUWBT-UHFFFAOYSA-N 1 0 396.447 3.126 20 5 GGBDRO C[NH+](C)CCCOc1cccc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)c1 ZINC000159956582 1424556327 /nfs/dbraw/zinc/55/63/27/1424556327.db2.gz PRQDWRFZYYRSMQ-UHFFFAOYSA-N 1 0 379.363 3.456 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])cc1CNc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000160117034 1424575595 /nfs/dbraw/zinc/57/55/95/1424575595.db2.gz WNGWFFKYWIDTGL-UHFFFAOYSA-N 1 0 386.452 3.474 20 5 GGBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000160147649 1424580559 /nfs/dbraw/zinc/58/05/59/1424580559.db2.gz OZBAOZKYQZJODU-UHFFFAOYSA-N 1 0 384.480 3.477 20 5 GGBDRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000160236527 1424589267 /nfs/dbraw/zinc/58/92/67/1424589267.db2.gz QPDQAIPGSFDSLN-UHFFFAOYSA-N 1 0 389.427 3.385 20 5 GGBDRO C[N@H+](Cc1ccccc1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000160574207 1424615157 /nfs/dbraw/zinc/61/51/57/1424615157.db2.gz CVCCPLWUCHEFHE-UHFFFAOYSA-N 1 0 398.463 3.160 20 5 GGBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000160590136 1424617283 /nfs/dbraw/zinc/61/72/83/1424617283.db2.gz WPBDHSRGNAWJTO-UHFFFAOYSA-N 1 0 399.476 3.046 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-])c1ccccn1 ZINC000160590398 1424617527 /nfs/dbraw/zinc/61/75/27/1424617527.db2.gz GSTPOGHFUMYKJE-BHYGNILZSA-N 1 0 395.463 3.129 20 5 GGBDRO [NH3+][C@H](CCC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000160910739 1424643381 /nfs/dbraw/zinc/64/33/81/1424643381.db2.gz CFCBQWNYNKGMBO-HXUWFJFHSA-N 1 0 383.448 3.445 20 5 GGBDRO C[C@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000160913959 1424643925 /nfs/dbraw/zinc/64/39/25/1424643925.db2.gz UDQRSGUFSBGKAM-YWZLYKJASA-N 1 0 383.448 3.301 20 5 GGBDRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160915356 1424644239 /nfs/dbraw/zinc/64/42/39/1424644239.db2.gz JVIOOBQFCQAVJF-MOPGFXCFSA-N 1 0 375.469 3.262 20 5 GGBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000160993376 1424650414 /nfs/dbraw/zinc/65/04/14/1424650414.db2.gz BDXRBEBMNUUQFX-UHFFFAOYSA-N 1 0 399.495 3.365 20 5 GGBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000161029453 1424654236 /nfs/dbraw/zinc/65/42/36/1424654236.db2.gz ROUVFAJQNJOCSP-HXUWFJFHSA-N 1 0 396.491 3.001 20 5 GGBDRO Cn1c(Sc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nnc1[C@H]1CCC[NH2+]C1 ZINC000161084262 1424657335 /nfs/dbraw/zinc/65/73/35/1424657335.db2.gz YUKFOGCIFWKXMA-VIFPVBQESA-N 1 0 387.387 3.360 20 5 GGBDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000161446982 1424690718 /nfs/dbraw/zinc/69/07/18/1424690718.db2.gz VSWGCGOCKVKHDQ-UONOGXRCSA-N 1 0 377.466 3.223 20 5 GGBDRO CC[C@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1)c1cccc([N+](=O)[O-])c1 ZINC000161468124 1424693408 /nfs/dbraw/zinc/69/34/08/1424693408.db2.gz HBZUKUSUEIVZOF-UGSOOPFHSA-N 1 0 377.466 3.305 20 5 GGBDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000161507561 1424696858 /nfs/dbraw/zinc/69/68/58/1424696858.db2.gz RDEDMNURNRFKQU-UHFFFAOYSA-N 1 0 381.354 3.216 20 5 GGBDRO COc1ccc(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000161624529 1424727460 /nfs/dbraw/zinc/72/74/60/1424727460.db2.gz ZATKUPQEYARWFC-UHFFFAOYSA-N 1 0 375.469 3.376 20 5 GGBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000161648624 1424732421 /nfs/dbraw/zinc/73/24/21/1424732421.db2.gz GXUIXOVHATXGRR-HXUWFJFHSA-N 1 0 397.475 3.356 20 5 GGBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000161669801 1424736878 /nfs/dbraw/zinc/73/68/78/1424736878.db2.gz YDOWYPIGJLUYJJ-HNNXBMFYSA-N 1 0 389.477 3.489 20 5 GGBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000162010417 1424808326 /nfs/dbraw/zinc/80/83/26/1424808326.db2.gz ZSNRXMOJBJQFEU-UHFFFAOYSA-N 1 0 386.427 3.187 20 5 GGBDRO Cc1c([C@@H](C)[NH2+]Cc2ccccc2OCCN2CCOCC2)cccc1[N+](=O)[O-] ZINC000162028903 1424809996 /nfs/dbraw/zinc/80/99/96/1424809996.db2.gz JRMIBAHJVBJKCX-GOSISDBHSA-N 1 0 399.491 3.465 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccccc1OCCN1CCOCC1 ZINC000162028618 1424810008 /nfs/dbraw/zinc/81/00/08/1424810008.db2.gz LMBCUMYYBNSIGD-GOSISDBHSA-N 1 0 399.491 3.465 20 5 GGBDRO C[C@H]([NH2+]Cc1ccccc1OCCN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000162039256 1424811074 /nfs/dbraw/zinc/81/10/74/1424811074.db2.gz IUMKLBSQKKZBDH-KRWDZBQOSA-N 1 0 385.464 3.157 20 5 GGBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000162107239 1424816802 /nfs/dbraw/zinc/81/68/02/1424816802.db2.gz NBIPGPGXJUWFRB-QGZVFWFLSA-N 1 0 376.501 3.277 20 5 GGBDRO CCOC(=O)CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000162171892 1424822508 /nfs/dbraw/zinc/82/25/08/1424822508.db2.gz DQTNBWZNEVQMBM-HOTGVXAUSA-N 1 0 391.468 3.286 20 5 GGBDRO CC(C)(C)OC1CC[NH+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000162236053 1424829813 /nfs/dbraw/zinc/82/98/13/1424829813.db2.gz FFNDFTIIHWGODV-UHFFFAOYSA-N 1 0 377.441 3.172 20 5 GGBDRO CCC[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000162480699 1424857284 /nfs/dbraw/zinc/85/72/84/1424857284.db2.gz KIMWMMHICXPQSO-SFHVURJKSA-N 1 0 377.466 3.004 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000162529907 1424862801 /nfs/dbraw/zinc/86/28/01/1424862801.db2.gz HNKZIDZLXUSAHG-HOTGVXAUSA-N 1 0 390.484 3.256 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000163050373 1424931325 /nfs/dbraw/zinc/93/13/25/1424931325.db2.gz PJHUYDWYOBPDLS-XEZPLFJOSA-N 1 0 385.420 3.085 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000163076457 1424935537 /nfs/dbraw/zinc/93/55/37/1424935537.db2.gz JMIBXUHGQJASBJ-UHFFFAOYSA-N 1 0 378.498 3.386 20 5 GGBDRO CCC[C@@H]1CN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC[N@@H+]1CCOC ZINC000163302791 1424976301 /nfs/dbraw/zinc/97/63/01/1424976301.db2.gz CRCSOLVXFBBLPK-MRXNPFEDSA-N 1 0 378.473 3.176 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)cc1SC ZINC000163599808 1425023358 /nfs/dbraw/zinc/02/33/58/1425023358.db2.gz ZUVKGWYDBSRXKI-CQSZACIVSA-N 1 0 395.525 3.423 20 5 GGBDRO CN(C)C(=O)c1cccc(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000165087840 1425163475 /nfs/dbraw/zinc/16/34/75/1425163475.db2.gz PTLBOYAMWBLYSS-HXUWFJFHSA-N 1 0 381.476 3.450 20 5 GGBDRO C[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1 ZINC000170504391 1425263507 /nfs/dbraw/zinc/26/35/07/1425263507.db2.gz HVWUOCGUKVCCSN-UHFFFAOYSA-N 1 0 388.855 3.248 20 5 GGBDRO C[C@H](CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000170791403 1425343614 /nfs/dbraw/zinc/34/36/14/1425343614.db2.gz VRPTZSWXMAHQIC-GFCCVEGCSA-N 1 0 375.375 3.050 20 5 GGBDRO C[C@@H](CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000170791402 1425344118 /nfs/dbraw/zinc/34/41/18/1425344118.db2.gz VRPTZSWXMAHQIC-LBPRGKRZSA-N 1 0 375.375 3.050 20 5 GGBDRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])cc2)CC1 ZINC000170794077 1425344935 /nfs/dbraw/zinc/34/49/35/1425344935.db2.gz XMEGQVLADDCBEF-UHFFFAOYSA-N 1 0 390.390 3.267 20 5 GGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000170912982 1425388340 /nfs/dbraw/zinc/38/83/40/1425388340.db2.gz XXHWIECOZVBMRI-MRXNPFEDSA-N 1 0 375.469 3.120 20 5 GGBDRO CN(C[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1)C(=O)OC(C)(C)C ZINC000170917688 1425390396 /nfs/dbraw/zinc/39/03/96/1425390396.db2.gz IKYBVUMRMGOUFA-HNNXBMFYSA-N 1 0 379.457 3.162 20 5 GGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000171115028 1425490690 /nfs/dbraw/zinc/49/06/90/1425490690.db2.gz VUHDETXRXZYZRG-UHFFFAOYSA-N 1 0 395.456 3.006 20 5 GGBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000171189135 1425530946 /nfs/dbraw/zinc/53/09/46/1425530946.db2.gz YXYKXARHTQWWAC-UHFFFAOYSA-N 1 0 382.464 3.306 20 5 GGBDRO Cc1ccc([C@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000171227240 1425550646 /nfs/dbraw/zinc/55/06/46/1425550646.db2.gz XBOAQICRALBAEE-SFHVURJKSA-N 1 0 386.452 3.475 20 5 GGBDRO Cc1ccc([C@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)[NH+]2CCCC2)o1 ZINC000171239656 1425560536 /nfs/dbraw/zinc/56/05/36/1425560536.db2.gz KQSPRRSOVHPWTP-SFHVURJKSA-N 1 0 386.452 3.175 20 5 GGBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000171352271 1425633085 /nfs/dbraw/zinc/63/30/85/1425633085.db2.gz ZILTVKRZMQCMFI-LJQANCHMSA-N 1 0 388.512 3.435 20 5 GGBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000171352390 1425633193 /nfs/dbraw/zinc/63/31/93/1425633193.db2.gz OQJWNBXKECWJTI-LJQANCHMSA-N 1 0 388.512 3.291 20 5 GGBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000171353712 1425635106 /nfs/dbraw/zinc/63/51/06/1425635106.db2.gz OXJIMJLNKAIYMJ-IBGZPJMESA-N 1 0 397.475 3.045 20 5 GGBDRO CCc1n[nH]c(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000171400072 1425663213 /nfs/dbraw/zinc/66/32/13/1425663213.db2.gz LAVLITVULVUEOT-HUUCEWRRSA-N 1 0 399.495 3.288 20 5 GGBDRO CC1CCN(c2ccc(C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)cc2[N+](=O)[O-])CC1 ZINC000171450886 1425684509 /nfs/dbraw/zinc/68/45/09/1425684509.db2.gz VUNYTZPAKGKEQS-GOSISDBHSA-N 1 0 386.496 3.141 20 5 GGBDRO COc1cc[nH+]c(N2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)c1 ZINC000171563817 1425738034 /nfs/dbraw/zinc/73/80/34/1425738034.db2.gz YMIQYAYIGCOZNO-UHFFFAOYSA-N 1 0 398.444 3.176 20 5 GGBDRO CCc1n[nH]c(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000171804139 1425824979 /nfs/dbraw/zinc/82/49/79/1425824979.db2.gz YGKFSSXTRZBMHI-KRWDZBQOSA-N 1 0 385.468 3.083 20 5 GGBDRO CCc1n[nH]c(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)c1[N+](=O)[O-] ZINC000171827199 1425830310 /nfs/dbraw/zinc/83/03/10/1425830310.db2.gz CQIKJZYHOCGLIZ-AWEZNQCLSA-N 1 0 385.468 3.274 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000171833127 1425831626 /nfs/dbraw/zinc/83/16/26/1425831626.db2.gz VLMCNDXTUBZENT-UHFFFAOYSA-N 1 0 378.473 3.059 20 5 GGBDRO O=C(NCCCCC[NH+]1CCCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000171889867 1425844427 /nfs/dbraw/zinc/84/44/27/1425844427.db2.gz POFDGJFYBRLSOC-UHFFFAOYSA-N 1 0 385.468 3.167 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000171945170 1425858816 /nfs/dbraw/zinc/85/88/16/1425858816.db2.gz QFAMOIFCRTYDLO-UHFFFAOYSA-N 1 0 393.390 3.086 20 5 GGBDRO CC(C)[C@H](CNC(=O)c1cc2ccccc2c2cccnc12)[NH+]1CCN(C)CC1 ZINC000171978783 1425866529 /nfs/dbraw/zinc/86/65/29/1425866529.db2.gz WLAQKRNLSSSPJE-QFIPXVFZSA-N 1 0 390.531 3.390 20 5 GGBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000171982285 1425867006 /nfs/dbraw/zinc/86/70/06/1425867006.db2.gz ITOXPOCWLDNZGI-GOSISDBHSA-N 1 0 390.531 3.391 20 5 GGBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000172021608 1425876226 /nfs/dbraw/zinc/87/62/26/1425876226.db2.gz NWLHPOPQXVTPSW-IRXDYDNUSA-N 1 0 395.525 3.178 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000172029619 1425878078 /nfs/dbraw/zinc/87/80/78/1425878078.db2.gz VGPMNJSNGKEVDH-JKSUJKDBSA-N 1 0 397.479 3.187 20 5 GGBDRO C[C@H]([NH2+]C1(CNC(=O)c2csc([N+](=O)[O-])c2)CCOCC1)c1ccccc1 ZINC000172061815 1425886009 /nfs/dbraw/zinc/88/60/09/1425886009.db2.gz MVBBIOGEGNTQPM-AWEZNQCLSA-N 1 0 389.477 3.286 20 5 GGBDRO C[C@@H]([NH2+]C1(CNC(=O)c2csc([N+](=O)[O-])c2)CCOCC1)c1ccccc1 ZINC000172061819 1425886457 /nfs/dbraw/zinc/88/64/57/1425886457.db2.gz MVBBIOGEGNTQPM-CQSZACIVSA-N 1 0 389.477 3.286 20 5 GGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000172070129 1425888633 /nfs/dbraw/zinc/88/86/33/1425888633.db2.gz FOEAQFYIHSOMKI-UHFFFAOYSA-N 1 0 379.420 3.010 20 5 GGBDRO CC1CCC([NH+]2CCN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)CC2)CC1 ZINC000172156925 1425924547 /nfs/dbraw/zinc/92/45/47/1425924547.db2.gz POVIWIVCSYKEIN-UHFFFAOYSA-N 1 0 397.479 3.117 20 5 GGBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CC[NH+](CCCOCC(F)(F)F)CC2)c1 ZINC000172176640 1425935157 /nfs/dbraw/zinc/93/51/57/1425935157.db2.gz DRLGEFCGOOPPBX-UHFFFAOYSA-N 1 0 395.809 3.335 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000172199622 1425943762 /nfs/dbraw/zinc/94/37/62/1425943762.db2.gz FFBFLIJLYIPBHM-IBGZPJMESA-N 1 0 398.463 3.067 20 5 GGBDRO CC(C)C[NH+]1CCC(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000172282866 1425979466 /nfs/dbraw/zinc/97/94/66/1425979466.db2.gz FAKVHLXRSGUHFU-UHFFFAOYSA-N 1 0 383.876 3.254 20 5 GGBDRO CC(C)C[NH+]1CCC(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000172471549 1426052956 /nfs/dbraw/zinc/05/29/56/1426052956.db2.gz QTBKGSGTTUEZIN-UHFFFAOYSA-N 1 0 376.501 3.337 20 5 GGBDRO Cc1cc(S(=O)(=O)N(CC[NH+]2CCCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000172667830 1426135634 /nfs/dbraw/zinc/13/56/34/1426135634.db2.gz URQGMFRFTZXWSX-UHFFFAOYSA-N 1 0 389.477 3.194 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000172698632 1426149525 /nfs/dbraw/zinc/14/95/25/1426149525.db2.gz MAOVCVZJUWGNOS-KRWDZBQOSA-N 1 0 382.464 3.401 20 5 GGBDRO Cc1c(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000172707358 1426152606 /nfs/dbraw/zinc/15/26/06/1426152606.db2.gz LHNBOEZIPPFRDG-HNNXBMFYSA-N 1 0 390.440 3.068 20 5 GGBDRO CCOC(=O)c1ccnc(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000172809537 1426199249 /nfs/dbraw/zinc/19/92/49/1426199249.db2.gz AZKYXYWQRHQSBA-QGZVFWFLSA-N 1 0 398.463 3.125 20 5 GGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000172841446 1426215456 /nfs/dbraw/zinc/21/54/56/1426215456.db2.gz FBEAAVBTKOEHNA-SFHVURJKSA-N 1 0 391.515 3.488 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1SC ZINC000172843768 1426215860 /nfs/dbraw/zinc/21/58/60/1426215860.db2.gz VIAILLDZEKYVRX-CYBMUJFWSA-N 1 0 381.498 3.272 20 5 GGBDRO CN(c1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1)C1CC[NH+](C)CC1 ZINC000172847189 1426217234 /nfs/dbraw/zinc/21/72/34/1426217234.db2.gz PZCQKNGXBIFZQB-UHFFFAOYSA-N 1 0 382.464 3.306 20 5 GGBDRO CC1CCC([NH+]2CCN(Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)CC2)CC1 ZINC000172904129 1426250214 /nfs/dbraw/zinc/25/02/14/1426250214.db2.gz RCBMWIOWUCJQDE-UHFFFAOYSA-N 1 0 384.484 3.007 20 5 GGBDRO O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000172913345 1426256977 /nfs/dbraw/zinc/25/69/77/1426256977.db2.gz KUZZGOGJCWSFSE-UHFFFAOYSA-N 1 0 385.489 3.367 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CC[C@H](COCc4ccccc4)C3)n2)cc1 ZINC000172971314 1426288644 /nfs/dbraw/zinc/28/86/44/1426288644.db2.gz VECPUFZQSJLSLD-SFHVURJKSA-N 1 0 393.447 3.350 20 5 GGBDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173028697 1426315187 /nfs/dbraw/zinc/31/51/87/1426315187.db2.gz XUUYTQUJUURVNG-UHFFFAOYSA-N 1 0 375.856 3.381 20 5 GGBDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173028739 1426315658 /nfs/dbraw/zinc/31/56/58/1426315658.db2.gz DBGGBRMRWPDKIU-UHFFFAOYSA-N 1 0 377.391 3.006 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)c1 ZINC000173028712 1426315724 /nfs/dbraw/zinc/31/57/24/1426315724.db2.gz WPVYMLAZAFHWAM-UHFFFAOYSA-N 1 0 377.391 3.385 20 5 GGBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(C)(C)C[NH+](C)C ZINC000173056915 1426325611 /nfs/dbraw/zinc/32/56/11/1426325611.db2.gz NZMYNCMOXBVRAY-HNNXBMFYSA-N 1 0 376.501 3.291 20 5 GGBDRO C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(C)(C)C[NH+](C)C ZINC000173055558 1426325724 /nfs/dbraw/zinc/32/57/24/1426325724.db2.gz JXLMECXPOGVURZ-MRXNPFEDSA-N 1 0 379.504 3.247 20 5 GGBDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)Cc3cccc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000173075171 1426332415 /nfs/dbraw/zinc/33/24/15/1426332415.db2.gz DFYLZJWVIHWIKS-IRXDYDNUSA-N 1 0 397.475 3.063 20 5 GGBDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)Cc3cccc([N+](=O)[O-])c3)cc2)C[C@@H](C)O1 ZINC000173075178 1426332573 /nfs/dbraw/zinc/33/25/73/1426332573.db2.gz DFYLZJWVIHWIKS-IAGOWNOFSA-N 1 0 397.475 3.063 20 5 GGBDRO COc1ccccc1[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000173156031 1426369307 /nfs/dbraw/zinc/36/93/07/1426369307.db2.gz ZHJKHTFXULFKPS-FQEVSTJZSA-N 1 0 397.475 3.489 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000173198746 1426388401 /nfs/dbraw/zinc/38/84/01/1426388401.db2.gz LLJAJBBGVBEPBN-LSDHHAIUSA-N 1 0 379.420 3.458 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000173204323 1426392693 /nfs/dbraw/zinc/39/26/93/1426392693.db2.gz WDGANIXYDHNPJQ-CABCVRRESA-N 1 0 379.420 3.458 20 5 GGBDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173328566 1426510357 /nfs/dbraw/zinc/51/03/57/1426510357.db2.gz KORSSKGVJYJDHE-HNNXBMFYSA-N 1 0 389.477 3.230 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000173333001 1426514067 /nfs/dbraw/zinc/51/40/67/1426514067.db2.gz ZVMDZTYZDMRXES-KGLIPLIRSA-N 1 0 377.466 3.257 20 5 GGBDRO CN(CC(=O)Nc1cccc(OCCC[NH+](C)C)c1)c1ccccc1[N+](=O)[O-] ZINC000173338163 1426517827 /nfs/dbraw/zinc/51/78/27/1426517827.db2.gz WQAMBPCPITXMRF-UHFFFAOYSA-N 1 0 386.452 3.000 20 5 GGBDRO C[C@@H]([NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173351753 1426529103 /nfs/dbraw/zinc/52/91/03/1426529103.db2.gz GMISJZIHWLNOIS-FOIQADDNSA-N 1 0 383.448 3.354 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000173450065 1426628175 /nfs/dbraw/zinc/62/81/75/1426628175.db2.gz WGTTXYNIACLEPF-ROUUACIJSA-N 1 0 388.512 3.144 20 5 GGBDRO Cc1ccc2c(C[N@@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc(=O)oc2c1C ZINC000173462331 1426635932 /nfs/dbraw/zinc/63/59/32/1426635932.db2.gz GJZYLFSEXAPEPK-MRXNPFEDSA-N 1 0 394.431 3.399 20 5 GGBDRO CC[C@@](C)([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1nccs1 ZINC000173507046 1426676136 /nfs/dbraw/zinc/67/61/36/1426676136.db2.gz XZXLYBMPGDJSKS-QGZVFWFLSA-N 1 0 378.454 3.304 20 5 GGBDRO CCCc1n[nH]c(C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000173507704 1426676750 /nfs/dbraw/zinc/67/67/50/1426676750.db2.gz WNWMUMIBHIGYNQ-HNNXBMFYSA-N 1 0 385.468 3.007 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000173512797 1426683109 /nfs/dbraw/zinc/68/31/09/1426683109.db2.gz HPCQAVAOEHVYMU-MRXNPFEDSA-N 1 0 383.448 3.340 20 5 GGBDRO COc1ccc(C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000173519459 1426693606 /nfs/dbraw/zinc/69/36/06/1426693606.db2.gz PQWSQMOSFNXAHC-INIZCTEOSA-N 1 0 383.448 3.340 20 5 GGBDRO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000173520692 1426693651 /nfs/dbraw/zinc/69/36/51/1426693651.db2.gz TZFMKNUOAASGHM-OAHLLOKOSA-N 1 0 398.419 3.240 20 5 GGBDRO C[C@H]1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[N@@H+]1Cc1ccccc1 ZINC000173532629 1426706578 /nfs/dbraw/zinc/70/65/78/1426706578.db2.gz GFQKCELLIUILMG-INIZCTEOSA-N 1 0 396.447 3.057 20 5 GGBDRO O=[N+]([O-])c1cnn(CN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)c1 ZINC000173553597 1426726778 /nfs/dbraw/zinc/72/67/78/1426726778.db2.gz GJOXRADHPOONGM-MRXNPFEDSA-N 1 0 397.401 3.135 20 5 GGBDRO COc1ccc(OCC[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000173565965 1426734965 /nfs/dbraw/zinc/73/49/65/1426734965.db2.gz HKXNIBSPQKCATC-KRWDZBQOSA-N 1 0 376.409 3.256 20 5 GGBDRO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000173584289 1426748543 /nfs/dbraw/zinc/74/85/43/1426748543.db2.gz VIJGAICWTCSZFW-BLLLJJGKSA-N 1 0 386.374 3.254 20 5 GGBDRO C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000173594140 1426758176 /nfs/dbraw/zinc/75/81/76/1426758176.db2.gz QERVODRFBVQLRE-AWEZNQCLSA-N 1 0 386.408 3.143 20 5 GGBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000173600370 1426768871 /nfs/dbraw/zinc/76/88/71/1426768871.db2.gz UXKCAVRWPGZXOJ-QGZVFWFLSA-N 1 0 388.512 3.002 20 5 GGBDRO Cc1c(C(=O)NCCC[NH+](C(C)C)C(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000173615985 1426795767 /nfs/dbraw/zinc/79/57/67/1426795767.db2.gz LCHXINQDEAYRBV-UHFFFAOYSA-N 1 0 380.445 3.359 20 5 GGBDRO O=C(C[N@@H+]1CC[C@@H](COCc2ccccc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000173652223 1426810769 /nfs/dbraw/zinc/81/07/69/1426810769.db2.gz VAOONWKOZYKBFF-GOSISDBHSA-N 1 0 395.459 3.023 20 5 GGBDRO O=C1[C@H]([N@@H+]2CC[C@@H](COCc3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000173655103 1426811536 /nfs/dbraw/zinc/81/15/36/1426811536.db2.gz NWKXGVFKDMBYHM-WIYYLYMNSA-N 1 0 395.459 3.239 20 5 GGBDRO O=C(C[N@@H+]1CC[C@H](COCc2ccccc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000173657089 1426812209 /nfs/dbraw/zinc/81/22/09/1426812209.db2.gz BRDAHBDBYRRFTL-SFHVURJKSA-N 1 0 395.459 3.023 20 5 GGBDRO O=C(CC[N@@H+]1CC[C@H](COCc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000173657032 1426812312 /nfs/dbraw/zinc/81/23/12/1426812312.db2.gz ZQDOGPOFSVBPDH-SFHVURJKSA-N 1 0 383.448 3.462 20 5 GGBDRO Cc1ccc(CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]2CCCO2)cc1 ZINC000173780592 1426849385 /nfs/dbraw/zinc/84/93/85/1426849385.db2.gz GMMSBUOBVKVYEP-HXUWFJFHSA-N 1 0 397.475 3.226 20 5 GGBDRO O=c1cc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c2ccc(O)cc2o1 ZINC000173798239 1426853893 /nfs/dbraw/zinc/85/38/93/1426853893.db2.gz LRKMHMPYPKLLAP-UHFFFAOYSA-N 1 0 396.399 3.450 20 5 GGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000173817328 1426859498 /nfs/dbraw/zinc/85/94/98/1426859498.db2.gz RJMZYDOWZHWBLY-QGZVFWFLSA-N 1 0 388.512 3.002 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173972832 1426917928 /nfs/dbraw/zinc/91/79/28/1426917928.db2.gz JLCNHHORNOCHCP-IBGZPJMESA-N 1 0 396.491 3.296 20 5 GGBDRO CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173974970 1426919728 /nfs/dbraw/zinc/91/97/28/1426919728.db2.gz DWZZOYMGOQHKLU-IBGZPJMESA-N 1 0 396.491 3.012 20 5 GGBDRO C[C@@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000173994304 1426931835 /nfs/dbraw/zinc/93/18/35/1426931835.db2.gz ITLVULAOCOJFAE-GOSISDBHSA-N 1 0 396.491 3.154 20 5 GGBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000174049282 1426970723 /nfs/dbraw/zinc/97/07/23/1426970723.db2.gz FQUKJPMXEOXXFZ-LJQANCHMSA-N 1 0 396.491 3.397 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000174051501 1426973165 /nfs/dbraw/zinc/97/31/65/1426973165.db2.gz RNUUCLWTFOPKHQ-KRWDZBQOSA-N 1 0 383.448 3.340 20 5 GGBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1 ZINC000174130569 1427015210 /nfs/dbraw/zinc/01/52/10/1427015210.db2.gz OSLZHROGNJHXQW-SFHVURJKSA-N 1 0 388.512 3.387 20 5 GGBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)C1 ZINC000174149972 1427022013 /nfs/dbraw/zinc/02/20/13/1427022013.db2.gz OSVIQWLDVSXVIO-SFHVURJKSA-N 1 0 388.512 3.387 20 5 GGBDRO O=C1O[C@@H](C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CN1c1ccccc1 ZINC000174240704 1427064921 /nfs/dbraw/zinc/06/49/21/1427064921.db2.gz ZSANBDGYFPAFCH-FQEVSTJZSA-N 1 0 397.431 3.463 20 5 GGBDRO CC(C)N(C(=O)[C@@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C(C)C ZINC000174249298 1427069845 /nfs/dbraw/zinc/06/98/45/1427069845.db2.gz IOLQMYQQAIBMQQ-MRXNPFEDSA-N 1 0 377.485 3.472 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000174366021 1427122518 /nfs/dbraw/zinc/12/25/18/1427122518.db2.gz PJGOBNSODNMZJH-LSDHHAIUSA-N 1 0 379.420 3.458 20 5 GGBDRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000174366030 1427122582 /nfs/dbraw/zinc/12/25/82/1427122582.db2.gz PJGOBNSODNMZJH-HUUCEWRRSA-N 1 0 379.420 3.458 20 5 GGBDRO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(-n2cccn2)cc1 ZINC000174369073 1427124084 /nfs/dbraw/zinc/12/40/84/1427124084.db2.gz IJQPYSCEPVOBOQ-QRWLVFNGSA-N 1 0 391.431 3.237 20 5 GGBDRO COc1ccc(OCCN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000174403759 1427142486 /nfs/dbraw/zinc/14/24/86/1427142486.db2.gz FFBJBDYHRPDCCL-LJQANCHMSA-N 1 0 399.491 3.436 20 5 GGBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1 ZINC000174484214 1427177200 /nfs/dbraw/zinc/17/72/00/1427177200.db2.gz ZWFODOJVJYCAQN-KRWDZBQOSA-N 1 0 388.512 3.245 20 5 GGBDRO O=C1[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCN1c1ccc(OC(F)F)cc1 ZINC000174569284 1427229159 /nfs/dbraw/zinc/22/91/59/1427229159.db2.gz MHYHDEACWBYJQO-QGZVFWFLSA-N 1 0 391.374 3.481 20 5 GGBDRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)nc1 ZINC000174599170 1427249939 /nfs/dbraw/zinc/24/99/39/1427249939.db2.gz LFFMTLKZLXCERJ-INIZCTEOSA-N 1 0 384.436 3.028 20 5 GGBDRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)nc1 ZINC000174600715 1427252034 /nfs/dbraw/zinc/25/20/34/1427252034.db2.gz SAWDCDYDSQQOGE-INIZCTEOSA-N 1 0 384.436 3.028 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000174601894 1427252647 /nfs/dbraw/zinc/25/26/47/1427252647.db2.gz LUEVXJWXRPDPKD-OAHLLOKOSA-N 1 0 384.436 3.158 20 5 GGBDRO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCN(c2ccccc2)C1 ZINC000174677870 1427304095 /nfs/dbraw/zinc/30/40/95/1427304095.db2.gz MOOZAZRIQVOVGM-HXUWFJFHSA-N 1 0 394.475 3.085 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000174680001 1427306202 /nfs/dbraw/zinc/30/62/02/1427306202.db2.gz XYXBNMHRAMSMIN-IBGZPJMESA-N 1 0 382.464 3.443 20 5 GGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H](O)COCc3cccs3)CC2)cc1 ZINC000174802498 1427377400 /nfs/dbraw/zinc/37/74/00/1427377400.db2.gz VHQODIKUWKJOII-INIZCTEOSA-N 1 0 392.477 3.077 20 5 GGBDRO Cc1cccc(OC[C@H](O)C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000174802557 1427377452 /nfs/dbraw/zinc/37/74/52/1427377452.db2.gz AJXFPMGQCZOTJH-GOSISDBHSA-N 1 0 386.448 3.186 20 5 GGBDRO Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174802906 1427377567 /nfs/dbraw/zinc/37/75/67/1427377567.db2.gz XKUNWDYLCINTRZ-SFHVURJKSA-N 1 0 386.448 3.186 20 5 GGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H](O)c3ccc(F)c(F)c3)CC2)cc1 ZINC000174802622 1427377585 /nfs/dbraw/zinc/37/75/85/1427377585.db2.gz PMOPNWCOONJGSX-IBGZPJMESA-N 1 0 378.375 3.450 20 5 GGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H](O)COCc3cccs3)CC2)cc1 ZINC000174802490 1427377792 /nfs/dbraw/zinc/37/77/92/1427377792.db2.gz VHQODIKUWKJOII-MRXNPFEDSA-N 1 0 392.477 3.077 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174826193 1427389222 /nfs/dbraw/zinc/38/92/22/1427389222.db2.gz SFXHLSUALIOTGX-UHFFFAOYSA-N 1 0 379.457 3.435 20 5 GGBDRO COc1cc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000174934902 1427453802 /nfs/dbraw/zinc/45/38/02/1427453802.db2.gz ZWRJTKIKSCMBKH-QGZVFWFLSA-N 1 0 383.448 3.198 20 5 GGBDRO COc1ccc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000174943669 1427458452 /nfs/dbraw/zinc/45/84/52/1427458452.db2.gz CNMKIZLPHDNOJZ-QGZVFWFLSA-N 1 0 383.448 3.198 20 5 GGBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000174967156 1427471650 /nfs/dbraw/zinc/47/16/50/1427471650.db2.gz SDKXUEPFOZCAQM-IBGZPJMESA-N 1 0 396.491 3.377 20 5 GGBDRO Cc1csc(C2([NH2+]C[C@H](O)COc3cccc([N+](=O)[O-])c3)CCCC2)n1 ZINC000175022753 1427505134 /nfs/dbraw/zinc/50/51/34/1427505134.db2.gz GFKMTPKWVQMWAP-HNNXBMFYSA-N 1 0 377.466 3.159 20 5 GGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000175217323 1427607978 /nfs/dbraw/zinc/60/79/78/1427607978.db2.gz RJYHUDDCGGATCV-QGZVFWFLSA-N 1 0 391.516 3.079 20 5 GGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000175217300 1427608524 /nfs/dbraw/zinc/60/85/24/1427608524.db2.gz RJYHUDDCGGATCV-KRWDZBQOSA-N 1 0 391.516 3.079 20 5 GGBDRO CCCc1n[nH]c(C(=O)N(CC)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000175277832 1427643362 /nfs/dbraw/zinc/64/33/62/1427643362.db2.gz HAACRICRHTUMLV-QGZVFWFLSA-N 1 0 399.495 3.255 20 5 GGBDRO CCCc1n[nH]c(C(=O)N(CC)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000175277855 1427643488 /nfs/dbraw/zinc/64/34/88/1427643488.db2.gz HAACRICRHTUMLV-KRWDZBQOSA-N 1 0 399.495 3.255 20 5 GGBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000175280729 1427645092 /nfs/dbraw/zinc/64/50/92/1427645092.db2.gz VMQXMHKEBVMXKN-IBGZPJMESA-N 1 0 397.475 3.344 20 5 GGBDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000175300302 1427658791 /nfs/dbraw/zinc/65/87/91/1427658791.db2.gz SLIXNGFKTVTAFF-UHFFFAOYSA-N 1 0 398.463 3.306 20 5 GGBDRO Cc1ccc(CNC(=O)C2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000175324888 1427679265 /nfs/dbraw/zinc/67/92/65/1427679265.db2.gz DFOIAUSUDZGUMM-UHFFFAOYSA-N 1 0 397.475 3.310 20 5 GGBDRO Cc1ccc(CNC(=O)C2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000175327160 1427681082 /nfs/dbraw/zinc/68/10/82/1427681082.db2.gz URKIXHNNSAGBFK-UHFFFAOYSA-N 1 0 397.475 3.310 20 5 GGBDRO C[C@H]1C[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000175354239 1427701358 /nfs/dbraw/zinc/70/13/58/1427701358.db2.gz KPHFTWGHBLIURW-LPHOPBHVSA-N 1 0 382.464 3.447 20 5 GGBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000175416521 1427742592 /nfs/dbraw/zinc/74/25/92/1427742592.db2.gz UDSAKIMECSGAIC-OAHLLOKOSA-N 1 0 389.402 3.467 20 5 GGBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cnn(-c2ccccc2)c1 ZINC000175509374 1427796865 /nfs/dbraw/zinc/79/68/65/1427796865.db2.gz KXFKTGNQERSNIS-UHFFFAOYSA-N 1 0 379.420 3.241 20 5 GGBDRO CC(C)OCC[NH+]1CCC(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000175616016 1427833300 /nfs/dbraw/zinc/83/33/00/1427833300.db2.gz NKYTUTMOJYRAEZ-UHFFFAOYSA-N 1 0 392.500 3.019 20 5 GGBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000175663388 1427849240 /nfs/dbraw/zinc/84/92/40/1427849240.db2.gz CKHINAQQUCJIPP-UHFFFAOYSA-N 1 0 399.476 3.046 20 5 GGBDRO C[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)(C)C[NH+](C)C ZINC000175799118 1427897144 /nfs/dbraw/zinc/89/71/44/1427897144.db2.gz GCTCXJNUPPAUKQ-GFCCVEGCSA-N 1 0 376.482 3.424 20 5 GGBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000175960565 1427999420 /nfs/dbraw/zinc/99/94/20/1427999420.db2.gz QQZCYJCULQBLDZ-UHFFFAOYSA-N 1 0 396.491 3.443 20 5 GGBDRO C[C@@H]1C[NH+](CC2CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000176060772 1428059457 /nfs/dbraw/zinc/05/94/57/1428059457.db2.gz PEKKWHPAELXIQE-ZIAGYGMSSA-N 1 0 395.887 3.210 20 5 GGBDRO C[C@H]1C[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000176136448 1428110127 /nfs/dbraw/zinc/11/01/27/1428110127.db2.gz MFIBIESFJBOQHQ-FUHWJXTLSA-N 1 0 383.448 3.143 20 5 GGBDRO O=[N+]([O-])c1ccn(CCN2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000176201989 1428163692 /nfs/dbraw/zinc/16/36/92/1428163692.db2.gz ZKORJBFDADVTPD-UHFFFAOYSA-N 1 0 397.401 3.018 20 5 GGBDRO CC(C)[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H](O)COc1cccc2ccccc21 ZINC000176226670 1428178566 /nfs/dbraw/zinc/17/85/66/1428178566.db2.gz LQLWZEFDMZKPKM-GOSISDBHSA-N 1 0 398.463 3.095 20 5 GGBDRO COc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180173009 1429779508 /nfs/dbraw/zinc/77/95/08/1429779508.db2.gz WJYXXLFYJXWSSG-DOMZBBRYSA-N 1 0 386.395 3.248 20 5 GGBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000180234069 1429810261 /nfs/dbraw/zinc/81/02/61/1429810261.db2.gz SCTLGTAEFGIXMG-UHFFFAOYSA-N 1 0 393.509 3.032 20 5 GGBDRO C[C@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000180311228 1429833120 /nfs/dbraw/zinc/83/31/20/1429833120.db2.gz FEWRGKDNAYGBTH-HNNXBMFYSA-N 1 0 383.452 3.267 20 5 GGBDRO Cn1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(-c2ccccc2)n1 ZINC000180345150 1429841149 /nfs/dbraw/zinc/84/11/49/1429841149.db2.gz FTFSMERCWJVSHV-QGZVFWFLSA-N 1 0 378.436 3.077 20 5 GGBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](CCc2ccccc2)c2ccccc2)c1 ZINC000180390727 1429854296 /nfs/dbraw/zinc/85/42/96/1429854296.db2.gz YFDWVLWMYPCTKC-LEWJYISDSA-N 1 0 380.448 3.116 20 5 GGBDRO CC(C)Oc1ccc(CCNC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180396142 1429856159 /nfs/dbraw/zinc/85/61/59/1429856159.db2.gz OMAWGXVHQQQPST-INIZCTEOSA-N 1 0 385.464 3.392 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180397651 1429856540 /nfs/dbraw/zinc/85/65/40/1429856540.db2.gz XHHCLDRJUYVVMV-LBPRGKRZSA-N 1 0 388.380 3.191 20 5 GGBDRO C[C@H]([NH2+]CC(=O)NCCOc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000180406375 1429859798 /nfs/dbraw/zinc/85/97/98/1429859798.db2.gz VYNNAGRUVBFOKJ-ZDUSSCGKSA-N 1 0 377.828 3.094 20 5 GGBDRO C[NH+](C)C1CCN(c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000180419962 1429864181 /nfs/dbraw/zinc/86/41/81/1429864181.db2.gz IQRPQAVPWIPIMD-UHFFFAOYSA-N 1 0 382.464 3.306 20 5 GGBDRO C[C@@H]([NH2+]CC(=O)NCCc1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 ZINC000180423938 1429865344 /nfs/dbraw/zinc/86/53/44/1429865344.db2.gz LPIMOFIITNSXQN-CYBMUJFWSA-N 1 0 384.461 3.214 20 5 GGBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCCCC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000180424530 1429865353 /nfs/dbraw/zinc/86/53/53/1429865353.db2.gz WGBIOBYLCQTRLG-OAHLLOKOSA-N 1 0 383.452 3.269 20 5 GGBDRO COc1ccc(OC)c([C@@H](C)NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180427544 1429866961 /nfs/dbraw/zinc/86/69/61/1429866961.db2.gz GXTMGVPHLXGFJC-UONOGXRCSA-N 1 0 387.436 3.140 20 5 GGBDRO C[C@H]([NH2+]CCCOc1ccc(S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180429668 1429867439 /nfs/dbraw/zinc/86/74/39/1429867439.db2.gz OANXURLQYCFAMN-AWEZNQCLSA-N 1 0 378.450 3.118 20 5 GGBDRO C[C@@H]([NH2+]CCCOc1ccc(S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180429683 1429867545 /nfs/dbraw/zinc/86/75/45/1429867545.db2.gz OANXURLQYCFAMN-CQSZACIVSA-N 1 0 378.450 3.118 20 5 GGBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000180432116 1429868267 /nfs/dbraw/zinc/86/82/67/1429868267.db2.gz SVSHLAKESNPJMN-VXGBXAGGSA-N 1 0 388.380 3.189 20 5 GGBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1N1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000180442009 1429870304 /nfs/dbraw/zinc/87/03/04/1429870304.db2.gz RVNNCASKKYLBGH-CQSZACIVSA-N 1 0 382.420 3.011 20 5 GGBDRO COc1ccc(CN(C(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000180442525 1429870713 /nfs/dbraw/zinc/87/07/13/1429870713.db2.gz ICBORFMHPWJXPS-OAHLLOKOSA-N 1 0 383.448 3.445 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180447851 1429871639 /nfs/dbraw/zinc/87/16/39/1429871639.db2.gz IRFGFVITJAXWDX-UHFFFAOYSA-N 1 0 398.463 3.377 20 5 GGBDRO C[C@H]([NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000180451164 1429872517 /nfs/dbraw/zinc/87/25/17/1429872517.db2.gz KHSUKJHJPNVIRP-LBPRGKRZSA-N 1 0 385.342 3.430 20 5 GGBDRO C[C@@H]([NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000180451311 1429872627 /nfs/dbraw/zinc/87/26/27/1429872627.db2.gz KHSUKJHJPNVIRP-GFCCVEGCSA-N 1 0 385.342 3.430 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180457760 1429874108 /nfs/dbraw/zinc/87/41/08/1429874108.db2.gz GAIPTNBVLODGRU-GFCCVEGCSA-N 1 0 388.380 3.191 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000180502094 1429883998 /nfs/dbraw/zinc/88/39/98/1429883998.db2.gz KOLWZBQAFPYPJF-MRXNPFEDSA-N 1 0 387.440 3.109 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000180529817 1429890976 /nfs/dbraw/zinc/89/09/76/1429890976.db2.gz RQVUACLGEZDQHW-SJLPKXTDSA-N 1 0 391.512 3.387 20 5 GGBDRO COc1cc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000180531320 1429891819 /nfs/dbraw/zinc/89/18/19/1429891819.db2.gz REXRAIRGCUFBEF-RISCZKNCSA-N 1 0 392.374 3.137 20 5 GGBDRO C[N@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1Br)Cc1ccccc1 ZINC000180544869 1429894625 /nfs/dbraw/zinc/89/46/25/1429894625.db2.gz VWVUUIBPJFVANN-UHFFFAOYSA-N 1 0 392.253 3.219 20 5 GGBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180554488 1429896281 /nfs/dbraw/zinc/89/62/81/1429896281.db2.gz JUDYDECRLRDKLI-UHFFFAOYSA-N 1 0 386.477 3.115 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180623833 1429938539 /nfs/dbraw/zinc/93/85/39/1429938539.db2.gz HNWKWGNWFSUNIG-UHFFFAOYSA-N 1 0 385.424 3.037 20 5 GGBDRO CC[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc2c(c1)OCCO2 ZINC000180641131 1429949393 /nfs/dbraw/zinc/94/93/93/1429949393.db2.gz DQJCRCOSACVLLZ-ROUUACIJSA-N 1 0 397.431 3.212 20 5 GGBDRO COC(=O)[C@H](O)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000180670114 1429966476 /nfs/dbraw/zinc/96/64/76/1429966476.db2.gz GMDPPQUISYPZIE-GOSISDBHSA-N 1 0 390.461 3.069 20 5 GGBDRO O=C(NCCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(F)cc1 ZINC000180721394 1430000262 /nfs/dbraw/zinc/00/02/62/1430000262.db2.gz LPHWDGWWUSEKGQ-IBGZPJMESA-N 1 0 385.439 3.465 20 5 GGBDRO O=C(NCCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1cccc(F)c1 ZINC000180727442 1430002779 /nfs/dbraw/zinc/00/27/79/1430002779.db2.gz XVQIYLJJFLWGKC-LJQANCHMSA-N 1 0 385.439 3.465 20 5 GGBDRO CC1CC[NH+](Cc2cccc(CNC(=O)c3c(N)cccc3[N+](=O)[O-])c2)CC1 ZINC000180736059 1430008425 /nfs/dbraw/zinc/00/84/25/1430008425.db2.gz BSSZVDRTJBWVLL-UHFFFAOYSA-N 1 0 382.464 3.339 20 5 GGBDRO O=C1[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000180764221 1430025627 /nfs/dbraw/zinc/02/56/27/1430025627.db2.gz HSKAAHFUKWGRBW-AEGPPILISA-N 1 0 385.386 3.059 20 5 GGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCc1nc2c(cccc2F)n1C ZINC000180863687 1430075242 /nfs/dbraw/zinc/07/52/42/1430075242.db2.gz QIMDRHQMFRVHIF-CYBMUJFWSA-N 1 0 399.426 3.170 20 5 GGBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000180873613 1430080907 /nfs/dbraw/zinc/08/09/07/1430080907.db2.gz URQNODNBRGPQBB-UHFFFAOYSA-N 1 0 389.452 3.052 20 5 GGBDRO COc1ccc(NC(=O)C[NH2+]C(C)(C)c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000180880438 1430085389 /nfs/dbraw/zinc/08/53/89/1430085389.db2.gz HZXJMFDSHWWPCE-UHFFFAOYSA-N 1 0 379.363 3.345 20 5 GGBDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3c(N)cccc3[N+](=O)[O-])cc2)C1 ZINC000180929297 1430120536 /nfs/dbraw/zinc/12/05/36/1430120536.db2.gz AJPJFGWAHMDQGD-HNNXBMFYSA-N 1 0 382.464 3.339 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000180947367 1430129397 /nfs/dbraw/zinc/12/93/97/1430129397.db2.gz KHKCPWSSWPCGJP-KRWDZBQOSA-N 1 0 387.461 3.077 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000180951299 1430131262 /nfs/dbraw/zinc/13/12/62/1430131262.db2.gz UOSQOIFLUMEUEK-QGZVFWFLSA-N 1 0 387.461 3.077 20 5 GGBDRO CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000181000704 1430161144 /nfs/dbraw/zinc/16/11/44/1430161144.db2.gz IYVLXDKSTVHDLP-HXUWFJFHSA-N 1 0 384.480 3.127 20 5 GGBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](c2cccc(Cl)c2)C2CCCC2)c1 ZINC000181048110 1430184193 /nfs/dbraw/zinc/18/41/93/1430184193.db2.gz KLPIARUUQPEDAM-MSOLQXFVSA-N 1 0 378.860 3.327 20 5 GGBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](c2cccc(Cl)c2)C2CCCC2)c1 ZINC000181048053 1430184841 /nfs/dbraw/zinc/18/48/41/1430184841.db2.gz KLPIARUUQPEDAM-ZWKOTPCHSA-N 1 0 378.860 3.327 20 5 GGBDRO COCCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)CC1 ZINC000181072532 1430197661 /nfs/dbraw/zinc/19/76/61/1430197661.db2.gz ASRSIFJUCAEBNX-UHFFFAOYSA-N 1 0 395.525 3.326 20 5 GGBDRO Cc1cc(NC(=O)c2c(N)cccc2[N+](=O)[O-])ccc1OCC[NH+]1CCCC1 ZINC000181101426 1430209929 /nfs/dbraw/zinc/20/99/29/1430209929.db2.gz PYRRGOSVAMKHDA-UHFFFAOYSA-N 1 0 384.436 3.212 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000181201930 1430246680 /nfs/dbraw/zinc/24/66/80/1430246680.db2.gz MKGGOSVSSAJBOT-DNVCBOLYSA-N 1 0 399.447 3.299 20 5 GGBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000181236877 1430253963 /nfs/dbraw/zinc/25/39/63/1430253963.db2.gz LNPZPEQOKRPRCT-KXBFYZLASA-N 1 0 399.447 3.299 20 5 GGBDRO CC1CC[NH+](C2CCC(NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)CC2)CC1 ZINC000181355995 1430280682 /nfs/dbraw/zinc/28/06/82/1430280682.db2.gz GUIAWDJUQGHBSL-UHFFFAOYSA-N 1 0 389.452 3.096 20 5 GGBDRO CCOc1ccc([C@H](C)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000181413330 1430291936 /nfs/dbraw/zinc/29/19/36/1430291936.db2.gz LXBWOEHWMBTYAU-QSFXBCCZSA-N 1 0 391.512 3.412 20 5 GGBDRO COC[C@@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(F)c(F)c1 ZINC000181437750 1430298829 /nfs/dbraw/zinc/29/88/29/1430298829.db2.gz UHYVGPZGGYZPFW-QGZVFWFLSA-N 1 0 393.390 3.487 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(N2CCCC2=O)c1 ZINC000181441190 1430299841 /nfs/dbraw/zinc/29/98/41/1430299841.db2.gz MJPSPDKSXHWXGD-CABCVRRESA-N 1 0 396.447 3.399 20 5 GGBDRO Cc1cc(NCc2ccnc(N3CCOCC3)c2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181449751 1430302425 /nfs/dbraw/zinc/30/24/25/1430302425.db2.gz YJUSURMAIYMVOU-UHFFFAOYSA-N 1 0 379.420 3.295 20 5 GGBDRO CCC[C@@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000181499141 1430311163 /nfs/dbraw/zinc/31/11/63/1430311163.db2.gz BIHXBHNVIGDKHL-MRXNPFEDSA-N 1 0 397.522 3.408 20 5 GGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)cc1[N+](=O)[O-] ZINC000181525963 1430315323 /nfs/dbraw/zinc/31/53/23/1430315323.db2.gz DYWKLLUDAOUSGB-DGCLKSJQSA-N 1 0 389.374 3.197 20 5 GGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)cc1[N+](=O)[O-] ZINC000181526009 1430315402 /nfs/dbraw/zinc/31/54/02/1430315402.db2.gz DYWKLLUDAOUSGB-YPMHNXCESA-N 1 0 389.374 3.197 20 5 GGBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(OCC2CC2)c(F)c1 ZINC000181570600 1430321907 /nfs/dbraw/zinc/32/19/07/1430321907.db2.gz ZVRABRCKIHNLKS-CYBMUJFWSA-N 1 0 375.400 3.035 20 5 GGBDRO C[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181637317 1430332648 /nfs/dbraw/zinc/33/26/48/1430332648.db2.gz XFUSCPLMQBOQLV-CVEARBPZSA-N 1 0 375.469 3.133 20 5 GGBDRO C[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181647396 1430334594 /nfs/dbraw/zinc/33/45/94/1430334594.db2.gz RVKSAHNHUWFJPH-DOTOQJQBSA-N 1 0 397.479 3.163 20 5 GGBDRO C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181653768 1430335608 /nfs/dbraw/zinc/33/56/08/1430335608.db2.gz WHDMYCGIFAXGNK-GJZGRUSLSA-N 1 0 377.510 3.456 20 5 GGBDRO CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1cccc(S(N)(=O)=O)c1 ZINC000181746925 1430352115 /nfs/dbraw/zinc/35/21/15/1430352115.db2.gz AGQXILVNOFPVSV-UGSOOPFHSA-N 1 0 377.466 3.353 20 5 GGBDRO C[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(C)(C)c1ccccc1 ZINC000181769775 1430356006 /nfs/dbraw/zinc/35/60/06/1430356006.db2.gz FTZKWMSZSPEXJM-ZDUSSCGKSA-N 1 0 385.420 3.218 20 5 GGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NC[C@H]2CCN(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000181808506 1430364958 /nfs/dbraw/zinc/36/49/58/1430364958.db2.gz BIQGQYPTMZJWED-QZTJIDSGSA-N 1 0 396.491 3.197 20 5 GGBDRO CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181812010 1430365528 /nfs/dbraw/zinc/36/55/28/1430365528.db2.gz DSGCHQMHKBBBBT-GFCCVEGCSA-N 1 0 391.449 3.431 20 5 GGBDRO COC(=O)c1sccc1NC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181826416 1430368214 /nfs/dbraw/zinc/36/82/14/1430368214.db2.gz XUSXWZBJVJEBJA-LLVKDONJSA-N 1 0 377.422 3.041 20 5 GGBDRO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccc(N2CCCC2)c1 ZINC000181862434 1430373507 /nfs/dbraw/zinc/37/35/07/1430373507.db2.gz ORNWVVZHRRNMHO-MRXNPFEDSA-N 1 0 394.475 3.435 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000181867759 1430374430 /nfs/dbraw/zinc/37/44/30/1430374430.db2.gz HRMYKZHGWBEYGE-HNNXBMFYSA-N 1 0 398.463 3.493 20 5 GGBDRO CCC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000181870316 1430374975 /nfs/dbraw/zinc/37/49/75/1430374975.db2.gz UFWNKIPBYHYAQJ-HOTGVXAUSA-N 1 0 386.374 3.302 20 5 GGBDRO CCC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000181870471 1430375083 /nfs/dbraw/zinc/37/50/83/1430375083.db2.gz UFWNKIPBYHYAQJ-JKSUJKDBSA-N 1 0 386.374 3.302 20 5 GGBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(N2CCCC2)c1 ZINC000181873488 1430375539 /nfs/dbraw/zinc/37/55/39/1430375539.db2.gz DWJYPLYXEGDRPG-OXQOHEQNSA-N 1 0 385.464 3.286 20 5 GGBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000181891940 1430378898 /nfs/dbraw/zinc/37/88/98/1430378898.db2.gz KKUPVJDFCQPUMN-HNNXBMFYSA-N 1 0 398.463 3.493 20 5 GGBDRO CN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000181895305 1430379527 /nfs/dbraw/zinc/37/95/27/1430379527.db2.gz OCEQEIYCMPLKRI-UHFFFAOYSA-N 1 0 397.431 3.060 20 5 GGBDRO CCc1nc(C)c([C@H](C)[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000181908378 1430381452 /nfs/dbraw/zinc/38/14/52/1430381452.db2.gz CFZIDWHFRWPEKV-KBPBESRZSA-N 1 0 379.482 3.355 20 5 GGBDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000181917118 1430382915 /nfs/dbraw/zinc/38/29/15/1430382915.db2.gz WDIJZRQIJZIKPH-RBUKOAKNSA-N 1 0 385.464 3.238 20 5 GGBDRO C[C@@H]([NH2+][C@H](CC(N)=O)C1CCCCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000182036105 1430399601 /nfs/dbraw/zinc/39/96/01/1430399601.db2.gz DXUUJCRBJGPBLB-MLGOLLRUSA-N 1 0 387.440 3.120 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000182057997 1430403460 /nfs/dbraw/zinc/40/34/60/1430403460.db2.gz NRDAINNVWJBENU-CVEARBPZSA-N 1 0 397.431 3.355 20 5 GGBDRO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000182071779 1430405853 /nfs/dbraw/zinc/40/58/53/1430405853.db2.gz CMYBXMVMDKQAGV-ZDUSSCGKSA-N 1 0 383.395 3.287 20 5 GGBDRO Cn1cc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000182094066 1430410486 /nfs/dbraw/zinc/41/04/86/1430410486.db2.gz QIIVYQGBNKXIRA-MRXNPFEDSA-N 1 0 394.479 3.184 20 5 GGBDRO Cc1nc2c(s1)[C@H]([N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC000182168571 1430423475 /nfs/dbraw/zinc/42/34/75/1430423475.db2.gz QXQSWMVRUPETKI-XJKSGUPXSA-N 1 0 377.466 3.109 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000182174228 1430424419 /nfs/dbraw/zinc/42/44/19/1430424419.db2.gz SNZMYNVSDKOGPG-MRXNPFEDSA-N 1 0 397.431 3.355 20 5 GGBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000182205728 1430429870 /nfs/dbraw/zinc/42/98/70/1430429870.db2.gz KERCVIBRDQJBAJ-KDOFPFPSSA-N 1 0 399.447 3.034 20 5 GGBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000182211369 1430430449 /nfs/dbraw/zinc/43/04/49/1430430449.db2.gz XCEROSKCMXCBPZ-OCCSQVGLSA-N 1 0 382.363 3.287 20 5 GGBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000182211352 1430430493 /nfs/dbraw/zinc/43/04/93/1430430493.db2.gz XCEROSKCMXCBPZ-JSGCOSHPSA-N 1 0 382.363 3.287 20 5 GGBDRO COc1ccc(CSCC(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000182222343 1430432404 /nfs/dbraw/zinc/43/24/04/1430432404.db2.gz VOCZUDQMBLVKIG-OAHLLOKOSA-N 1 0 395.525 3.217 20 5 GGBDRO COc1ccc(CSCC(=O)NCC[C@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000182222223 1430432474 /nfs/dbraw/zinc/43/24/74/1430432474.db2.gz VOCZUDQMBLVKIG-HNNXBMFYSA-N 1 0 395.525 3.217 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000182290166 1430443232 /nfs/dbraw/zinc/44/32/32/1430443232.db2.gz QJCRNDBVIAXXNW-UHFFFAOYSA-N 1 0 397.475 3.350 20 5 GGBDRO C[C@@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000182289339 1430443376 /nfs/dbraw/zinc/44/33/76/1430443376.db2.gz NALQLXKPTVWZMZ-CXAGYDPISA-N 1 0 375.400 3.384 20 5 GGBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1c(C)noc1C ZINC000182424740 1430465400 /nfs/dbraw/zinc/46/54/00/1430465400.db2.gz NTLUGUCWRAQJFN-CQSZACIVSA-N 1 0 376.413 3.278 20 5 GGBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1c(C)noc1C ZINC000182424725 1430465486 /nfs/dbraw/zinc/46/54/86/1430465486.db2.gz NTLUGUCWRAQJFN-AWEZNQCLSA-N 1 0 376.413 3.278 20 5 GGBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 ZINC000182452708 1430470078 /nfs/dbraw/zinc/47/00/78/1430470078.db2.gz NMVNEJFYVXGSBW-VQIMIIECSA-N 1 0 385.464 3.286 20 5 GGBDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000182524784 1430483457 /nfs/dbraw/zinc/48/34/57/1430483457.db2.gz MUPRMGRSULZHPE-NSHDSACASA-N 1 0 390.827 3.496 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182548785 1430488753 /nfs/dbraw/zinc/48/87/53/1430488753.db2.gz VPTNIECTCSTTMJ-LSDHHAIUSA-N 1 0 390.484 3.056 20 5 GGBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000182579316 1430496826 /nfs/dbraw/zinc/49/68/26/1430496826.db2.gz OIGZGTCNIVGZMH-ZDUSSCGKSA-N 1 0 385.411 3.294 20 5 GGBDRO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000182582061 1430497015 /nfs/dbraw/zinc/49/70/15/1430497015.db2.gz ZKQKWCLKWVBTPF-WBMJQRKESA-N 1 0 395.406 3.285 20 5 GGBDRO C[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCc2ccccc2C1 ZINC000182619995 1430503686 /nfs/dbraw/zinc/50/36/86/1430503686.db2.gz QIZWOTCXEOOAMI-GJZGRUSLSA-N 1 0 385.439 3.400 20 5 GGBDRO C[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1nnc2ccccn21 ZINC000182671648 1430514158 /nfs/dbraw/zinc/51/41/58/1430514158.db2.gz MMPFIQGTRQGVCY-ZDUSSCGKSA-N 1 0 378.392 3.186 20 5 GGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c2c(c1)COCO2 ZINC000182696192 1430519753 /nfs/dbraw/zinc/51/97/53/1430519753.db2.gz GWZQUHPMRWYYJZ-PKOBYXMFSA-N 1 0 392.358 3.359 20 5 GGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c2c(c1)COCO2 ZINC000182696209 1430520002 /nfs/dbraw/zinc/52/00/02/1430520002.db2.gz GWZQUHPMRWYYJZ-HKUYNNGSSA-N 1 0 392.358 3.359 20 5 GGBDRO Cc1cc(NC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000182769621 1430536445 /nfs/dbraw/zinc/53/64/45/1430536445.db2.gz NUKWIVUPNLYYAA-UHFFFAOYSA-N 1 0 398.463 3.182 20 5 GGBDRO C[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000182924931 1430573150 /nfs/dbraw/zinc/57/31/50/1430573150.db2.gz IASOMXULQJGEOR-CYBMUJFWSA-N 1 0 375.400 3.417 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1C ZINC000183020186 1430594129 /nfs/dbraw/zinc/59/41/29/1430594129.db2.gz ZOYMDALDKVWQDJ-JKSUJKDBSA-N 1 0 395.525 3.143 20 5 GGBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183033517 1430597645 /nfs/dbraw/zinc/59/76/45/1430597645.db2.gz SPUXYZIGWOFTBO-ZBFHGGJFSA-N 1 0 395.525 3.089 20 5 GGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c1 ZINC000183190925 1430643504 /nfs/dbraw/zinc/64/35/04/1430643504.db2.gz UINWDMMUELNQRX-OAHLLOKOSA-N 1 0 384.358 3.181 20 5 GGBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000183232918 1430654939 /nfs/dbraw/zinc/65/49/39/1430654939.db2.gz YLCFWMDBVCMCAZ-IBGZPJMESA-N 1 0 382.420 3.097 20 5 GGBDRO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CC1 ZINC000183442001 1430712959 /nfs/dbraw/zinc/71/29/59/1430712959.db2.gz VYXJOSZQLJBIPD-IAQYHMDHSA-N 1 0 390.465 3.060 20 5 GGBDRO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000183450301 1430714762 /nfs/dbraw/zinc/71/47/62/1430714762.db2.gz SPWLKAVTBFIYKV-KBPBESRZSA-N 1 0 385.420 3.449 20 5 GGBDRO CCCN(C(=O)c1cc([N+](=O)[O-])cnc1N)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183551095 1430740525 /nfs/dbraw/zinc/74/05/25/1430740525.db2.gz YUSQDHLTHAPQQE-KRWDZBQOSA-N 1 0 397.479 3.089 20 5 GGBDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183571241 1430744347 /nfs/dbraw/zinc/74/43/47/1430744347.db2.gz TZDSDIFSKYKIOB-UHFFFAOYSA-N 1 0 377.367 3.118 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000183578245 1430745616 /nfs/dbraw/zinc/74/56/16/1430745616.db2.gz XNVKZZLWOVDWJK-AWEZNQCLSA-N 1 0 395.419 3.078 20 5 GGBDRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)Nc1ccncc1[N+](=O)[O-] ZINC000183591010 1430748980 /nfs/dbraw/zinc/74/89/80/1430748980.db2.gz GQNJTKVFOSXCGN-CYBMUJFWSA-N 1 0 375.454 3.085 20 5 GGBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183600327 1430751448 /nfs/dbraw/zinc/75/14/48/1430751448.db2.gz DVQSWECSVZAMBO-UHFFFAOYSA-N 1 0 384.440 3.155 20 5 GGBDRO COc1ccc([C@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])[NH+]2CCCCC2)cc1 ZINC000183600683 1430751728 /nfs/dbraw/zinc/75/17/28/1430751728.db2.gz QDTCNHMPXUKGOL-SFHVURJKSA-N 1 0 399.451 3.347 20 5 GGBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000183608339 1430753778 /nfs/dbraw/zinc/75/37/78/1430753778.db2.gz NCOXIEWDRKQRJY-HNNXBMFYSA-N 1 0 379.420 3.460 20 5 GGBDRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3ccncc3[N+](=O)[O-])CC2)cc1 ZINC000183631096 1430759180 /nfs/dbraw/zinc/75/91/80/1430759180.db2.gz SUTZVINWWDSXQG-UHFFFAOYSA-N 1 0 399.451 3.032 20 5 GGBDRO C[C@H]([NH2+]C1(CNC(=O)Nc2ccncc2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000183644083 1430762062 /nfs/dbraw/zinc/76/20/62/1430762062.db2.gz YGWSRVBELHOWDU-HNNXBMFYSA-N 1 0 399.451 3.011 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183648555 1430763353 /nfs/dbraw/zinc/76/33/53/1430763353.db2.gz OXINTUZGLUMPBO-OAHLLOKOSA-N 1 0 375.473 3.498 20 5 GGBDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000183655227 1430765101 /nfs/dbraw/zinc/76/51/01/1430765101.db2.gz CPFUYPYDKUMTJK-LJQANCHMSA-N 1 0 394.468 3.365 20 5 GGBDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000183665067 1430767137 /nfs/dbraw/zinc/76/71/37/1430767137.db2.gz MTZJTKPWOZSYIM-MSOLQXFVSA-N 1 0 376.428 3.331 20 5 GGBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000183836695 1430802942 /nfs/dbraw/zinc/80/29/42/1430802942.db2.gz JULOXSZVZHAWLI-HIFRSBDPSA-N 1 0 388.424 3.181 20 5 GGBDRO COc1ccc(NC(=O)CC[N@H+](C)C[C@@H](C)c2nccs2)c([N+](=O)[O-])c1 ZINC000183932723 1430814928 /nfs/dbraw/zinc/81/49/28/1430814928.db2.gz VPEBQOUUIPAVRK-GFCCVEGCSA-N 1 0 378.454 3.124 20 5 GGBDRO C[C@H](NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000184037481 1430832397 /nfs/dbraw/zinc/83/23/97/1430832397.db2.gz XQLUJQJNGIZZPB-FTRWYGJKSA-N 1 0 382.464 3.476 20 5 GGBDRO C[C@H](NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000184037464 1430832544 /nfs/dbraw/zinc/83/25/44/1430832544.db2.gz XQLUJQJNGIZZPB-GUXCAODWSA-N 1 0 382.464 3.476 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000184073118 1430837493 /nfs/dbraw/zinc/83/74/93/1430837493.db2.gz RHJIMXSZVDERKV-AEFFLSMTSA-N 1 0 383.448 3.000 20 5 GGBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1nc(C)cs1 ZINC000184345676 1430875737 /nfs/dbraw/zinc/87/57/37/1430875737.db2.gz FZUAAPAXORMZLA-CYBMUJFWSA-N 1 0 378.454 3.438 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000184350775 1430876508 /nfs/dbraw/zinc/87/65/08/1430876508.db2.gz WCCWTUDVLXQJJG-LPHOPBHVSA-N 1 0 382.464 3.257 20 5 GGBDRO COc1cc(C[NH2+]CC2(CO)CCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000184372618 1430879806 /nfs/dbraw/zinc/87/98/06/1430879806.db2.gz HEERSRUKAYODGU-UHFFFAOYSA-N 1 0 386.448 3.435 20 5 GGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184400793 1430883371 /nfs/dbraw/zinc/88/33/71/1430883371.db2.gz UOOCFFBQEVIPDR-UHFFFAOYSA-N 1 0 391.493 3.008 20 5 GGBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC000184445109 1430888619 /nfs/dbraw/zinc/88/86/19/1430888619.db2.gz WHSFGZFHLQBMIU-OCCSQVGLSA-N 1 0 379.482 3.439 20 5 GGBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC000184445142 1430888707 /nfs/dbraw/zinc/88/87/07/1430888707.db2.gz WHSFGZFHLQBMIU-TZMCWYRMSA-N 1 0 379.482 3.439 20 5 GGBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184467377 1430890862 /nfs/dbraw/zinc/89/08/62/1430890862.db2.gz ZYHYDQMTKGZLIR-KRWDZBQOSA-N 1 0 382.464 3.161 20 5 GGBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)cccc1[N+](=O)[O-] ZINC000184480954 1430892702 /nfs/dbraw/zinc/89/27/02/1430892702.db2.gz MGLXIRXVPPIKEO-INIZCTEOSA-N 1 0 391.468 3.286 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000184495232 1430894611 /nfs/dbraw/zinc/89/46/11/1430894611.db2.gz ORLNTJRIAVZWBA-MRXNPFEDSA-N 1 0 391.468 3.286 20 5 GGBDRO CCC[N@H+](CCc1cccs1)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000184503693 1430896123 /nfs/dbraw/zinc/89/61/23/1430896123.db2.gz HZTUZAOJODQYDQ-UHFFFAOYSA-N 1 0 391.449 3.278 20 5 GGBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000184509392 1430896709 /nfs/dbraw/zinc/89/67/09/1430896709.db2.gz NIKFJXDOGJKWHB-OLZOCXBDSA-N 1 0 379.482 3.439 20 5 GGBDRO C[C@H](C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000184520737 1430897781 /nfs/dbraw/zinc/89/77/81/1430897781.db2.gz JNSYFYKGYNGCPV-ZDUSSCGKSA-N 1 0 377.391 3.225 20 5 GGBDRO C[C@@H](C(=O)NC1CC[NH+](Cc2cccnc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000184558199 1430904079 /nfs/dbraw/zinc/90/40/79/1430904079.db2.gz OYUOTDHSLFQTHT-CQSZACIVSA-N 1 0 386.427 3.013 20 5 GGBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000184559155 1430904446 /nfs/dbraw/zinc/90/44/46/1430904446.db2.gz KAXFJAQNWWZYMM-UHFFFAOYSA-N 1 0 389.477 3.027 20 5 GGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000184698552 1430945247 /nfs/dbraw/zinc/94/52/47/1430945247.db2.gz SJVNRJFWXBLCLV-LJQANCHMSA-N 1 0 396.491 3.339 20 5 GGBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000184729527 1430956393 /nfs/dbraw/zinc/95/63/93/1430956393.db2.gz OGJIUZVDIKDNOB-UHFFFAOYSA-N 1 0 395.525 3.013 20 5 GGBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000184754470 1430967389 /nfs/dbraw/zinc/96/73/89/1430967389.db2.gz VRPSZVCOFXIJFU-IAGOWNOFSA-N 1 0 396.491 3.280 20 5 GGBDRO CCc1ccc([C@H](COC)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000184796766 1430980683 /nfs/dbraw/zinc/98/06/83/1430980683.db2.gz CNTNTEQZVHBBDN-INIZCTEOSA-N 1 0 375.425 3.365 20 5 GGBDRO C[C@@H](CCN1CC[NH+](C)CC1)Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000184828532 1430993998 /nfs/dbraw/zinc/99/39/98/1430993998.db2.gz LIPBHDYEAOMTPC-KRWDZBQOSA-N 1 0 396.491 3.264 20 5 GGBDRO CCc1ccc([C@H](COC)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000184854369 1431004612 /nfs/dbraw/zinc/00/46/12/1431004612.db2.gz FNNBYWIISOWZBN-KRWDZBQOSA-N 1 0 375.425 3.365 20 5 GGBDRO CC[NH+]1CCN(c2cccc(NC(=O)N(C)Cc3ccccc3[N+](=O)[O-])c2)CC1 ZINC000184898477 1431016330 /nfs/dbraw/zinc/01/63/30/1431016330.db2.gz XYZUVYVISOPSQA-UHFFFAOYSA-N 1 0 397.479 3.401 20 5 GGBDRO COc1cccc([C@@H](CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)[NH+](C)C)c1 ZINC000184912334 1431019320 /nfs/dbraw/zinc/01/93/20/1431019320.db2.gz YQJWWTDOOKQUCY-ORAYPTAESA-N 1 0 389.427 3.265 20 5 GGBDRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000184945660 1431027585 /nfs/dbraw/zinc/02/75/85/1431027585.db2.gz XILVWIHQDFSLOS-QZTJIDSGSA-N 1 0 386.477 3.096 20 5 GGBDRO COc1cc(CNC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])cc1O ZINC000185223730 1431088386 /nfs/dbraw/zinc/08/83/86/1431088386.db2.gz VKSZUYOYSIANNK-IBGZPJMESA-N 1 0 385.464 3.309 20 5 GGBDRO CC[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000185290688 1431101576 /nfs/dbraw/zinc/10/15/76/1431101576.db2.gz YAHSEUFSRWMLOO-LJQANCHMSA-N 1 0 389.477 3.376 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185300114 1431104963 /nfs/dbraw/zinc/10/49/63/1431104963.db2.gz HUKDUGWUJRAYCS-KBPBESRZSA-N 1 0 378.375 3.102 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000185343959 1431120904 /nfs/dbraw/zinc/12/09/04/1431120904.db2.gz GADCSQGEMFSYFP-FXAWDEMLSA-N 1 0 397.475 3.024 20 5 GGBDRO C[C@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185373924 1431129010 /nfs/dbraw/zinc/12/90/10/1431129010.db2.gz NABNBFPSXQAGLI-AWEZNQCLSA-N 1 0 386.427 3.265 20 5 GGBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000185414316 1431139992 /nfs/dbraw/zinc/13/99/92/1431139992.db2.gz MZRBIALJABPYOP-QGZVFWFLSA-N 1 0 388.512 3.192 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000185468877 1431151838 /nfs/dbraw/zinc/15/18/38/1431151838.db2.gz JJUSHBZNZOSTML-CQSZACIVSA-N 1 0 397.357 3.433 20 5 GGBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC000185607894 1431182485 /nfs/dbraw/zinc/18/24/85/1431182485.db2.gz PEKSXWKYMSRUDV-DVOMOZLQSA-N 1 0 385.420 3.085 20 5 GGBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000185631496 1431188940 /nfs/dbraw/zinc/18/89/40/1431188940.db2.gz ANQQKNILJNUKKG-FZMZJTMJSA-N 1 0 375.812 3.341 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000185645802 1431193904 /nfs/dbraw/zinc/19/39/04/1431193904.db2.gz WNNOENSVOPXDHR-BBRMVZONSA-N 1 0 385.420 3.086 20 5 GGBDRO C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185669747 1431201016 /nfs/dbraw/zinc/20/10/16/1431201016.db2.gz VRRKKBPHUYXCGT-ZIAGYGMSSA-N 1 0 394.903 3.429 20 5 GGBDRO C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185669726 1431201397 /nfs/dbraw/zinc/20/13/97/1431201397.db2.gz VRRKKBPHUYXCGT-UONOGXRCSA-N 1 0 394.903 3.429 20 5 GGBDRO Cc1c(NC(=O)[C@H](C)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000185729156 1431217488 /nfs/dbraw/zinc/21/74/88/1431217488.db2.gz YPINAUVXJACSLP-YESZJQIVSA-N 1 0 388.512 3.473 20 5 GGBDRO COc1cc(OCC(=O)NC(C)(C)CC[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000185753580 1431225178 /nfs/dbraw/zinc/22/51/78/1431225178.db2.gz NJZDYDSDDDHAFI-UHFFFAOYSA-N 1 0 393.484 3.143 20 5 GGBDRO C[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185754299 1431225629 /nfs/dbraw/zinc/22/56/29/1431225629.db2.gz GTKGXOOJSMHCLI-HOCLYGCPSA-N 1 0 385.468 3.387 20 5 GGBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000185806472 1431240478 /nfs/dbraw/zinc/24/04/78/1431240478.db2.gz IALQFDLGAJPBDW-HNNXBMFYSA-N 1 0 389.477 3.099 20 5 GGBDRO O=C(C[NH2+]C1(Cc2ccccc2)CCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000185827687 1431245121 /nfs/dbraw/zinc/24/51/21/1431245121.db2.gz QMOUBLDKKYGMCN-UHFFFAOYSA-N 1 0 397.431 3.407 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000186035813 1431316302 /nfs/dbraw/zinc/31/63/02/1431316302.db2.gz MWHNOEKNTITXGV-HNNXBMFYSA-N 1 0 389.477 3.294 20 5 GGBDRO Cc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1NC(=O)CC[NH+](C)C ZINC000186218974 1431355406 /nfs/dbraw/zinc/35/54/06/1431355406.db2.gz RUHXPQISXGPSKD-UHFFFAOYSA-N 1 0 376.438 3.107 20 5 GGBDRO Cc1ccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1NC(=O)CC[NH+](C)C ZINC000186252978 1431363621 /nfs/dbraw/zinc/36/36/21/1431363621.db2.gz ZHYNTCITAKHQSL-UHFFFAOYSA-N 1 0 388.399 3.185 20 5 GGBDRO Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C)cc1NC(=O)CC[NH+](C)C ZINC000186273804 1431368421 /nfs/dbraw/zinc/36/84/21/1431368421.db2.gz ALMNGTZWXQFYSY-UHFFFAOYSA-N 1 0 384.436 3.354 20 5 GGBDRO CCN(C(=O)c1cc([N+](=O)[O-])ccc1OC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186315312 1431379795 /nfs/dbraw/zinc/37/97/95/1431379795.db2.gz ZJXGNOWNYXRMFG-SFHVURJKSA-N 1 0 383.448 3.340 20 5 GGBDRO CCN(C(=O)c1cc([N+](=O)[O-])ccc1OC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186315292 1431379866 /nfs/dbraw/zinc/37/98/66/1431379866.db2.gz ZJXGNOWNYXRMFG-GOSISDBHSA-N 1 0 383.448 3.340 20 5 GGBDRO CCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186335945 1431386516 /nfs/dbraw/zinc/38/65/16/1431386516.db2.gz WPTPCJMTEOWBRR-SFHVURJKSA-N 1 0 383.448 3.340 20 5 GGBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2CCCO[C@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000186386288 1431397726 /nfs/dbraw/zinc/39/77/26/1431397726.db2.gz LNDAQERTKHRSHR-WMZOPIPTSA-N 1 0 379.457 3.115 20 5 GGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCc1nn(C)c2ccccc12 ZINC000186476331 1431430021 /nfs/dbraw/zinc/43/00/21/1431430021.db2.gz IIOLDUNHKSWLPY-AWEZNQCLSA-N 1 0 381.436 3.031 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cccc(SC)c2[N+](=O)[O-])[C@H](C)C1 ZINC000186514249 1431443781 /nfs/dbraw/zinc/44/37/81/1431443781.db2.gz UOKAFSITGWHOHA-ZBFHGGJFSA-N 1 0 395.525 3.184 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186599041 1431464643 /nfs/dbraw/zinc/46/46/43/1431464643.db2.gz INGSBSSHTURLLL-NRFANRHFSA-N 1 0 397.431 3.063 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186663129 1431484609 /nfs/dbraw/zinc/48/46/09/1431484609.db2.gz CHQXRTVOZLOICA-OAQYLSRUSA-N 1 0 381.432 3.363 20 5 GGBDRO CCOC(=O)C[C@](C)([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000186672556 1431487734 /nfs/dbraw/zinc/48/77/34/1431487734.db2.gz LVWDPIFAKVSJRD-KRWDZBQOSA-N 1 0 385.848 3.144 20 5 GGBDRO CCOC(=O)C[C@@](C)([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000186674921 1431488844 /nfs/dbraw/zinc/48/88/44/1431488844.db2.gz ABYYEJIBQDFPDM-GOSISDBHSA-N 1 0 376.413 3.102 20 5 GGBDRO CCOC(=O)C[C@@](C)([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C ZINC000186704246 1431496681 /nfs/dbraw/zinc/49/66/81/1431496681.db2.gz FYPIELBZPYWUSZ-GOSISDBHSA-N 1 0 376.413 3.102 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)N(C)CC[N@H+](C)C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000186709861 1431497561 /nfs/dbraw/zinc/49/75/61/1431497561.db2.gz ZLAINKVMUUYWBL-OAHLLOKOSA-N 1 0 397.479 3.329 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCSC4(CCOCC4)C3)o2)c1 ZINC000186844157 1431536478 /nfs/dbraw/zinc/53/64/78/1431536478.db2.gz MQCBGCZEFSUMOX-UHFFFAOYSA-N 1 0 389.477 3.390 20 5 GGBDRO C[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187213321 1431650373 /nfs/dbraw/zinc/65/03/73/1431650373.db2.gz YJLKZFXCTURQIU-QRWLVFNGSA-N 1 0 393.447 3.202 20 5 GGBDRO C[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@H](c1ccccc1)[NH+](C)C ZINC000187213870 1431651305 /nfs/dbraw/zinc/65/13/05/1431651305.db2.gz RNYVRGJYTUPICP-MGPUTAFESA-N 1 0 393.447 3.202 20 5 GGBDRO C[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+](C)C ZINC000187264260 1431672109 /nfs/dbraw/zinc/67/21/09/1431672109.db2.gz CVBHPGQVMFADHV-MGPUTAFESA-N 1 0 393.447 3.202 20 5 GGBDRO C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@@H+]1Cc1ccccc1 ZINC000187359575 1431708073 /nfs/dbraw/zinc/70/80/73/1431708073.db2.gz ONGULKCDTUZNHO-RDJZCZTQSA-N 1 0 382.464 3.302 20 5 GGBDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000187394941 1431718087 /nfs/dbraw/zinc/71/80/87/1431718087.db2.gz PPGQCFANBVLFDL-HXUWFJFHSA-N 1 0 382.464 3.305 20 5 GGBDRO COc1ccc(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000187607715 1431778249 /nfs/dbraw/zinc/77/82/49/1431778249.db2.gz XBPIXSUCAVWGBL-IBGZPJMESA-N 1 0 383.448 3.244 20 5 GGBDRO CC[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H](C)Cc1ccsc1 ZINC000187807545 1431814774 /nfs/dbraw/zinc/81/47/74/1431814774.db2.gz GENNVLLEVUABRV-GFCCVEGCSA-N 1 0 391.449 3.277 20 5 GGBDRO CSc1cccc(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000188066908 1431841930 /nfs/dbraw/zinc/84/19/30/1431841930.db2.gz ZXFIDARATJIOSJ-UHFFFAOYSA-N 1 0 389.477 3.187 20 5 GGBDRO CSc1cccc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1[N+](=O)[O-] ZINC000188066872 1431841932 /nfs/dbraw/zinc/84/19/32/1431841932.db2.gz BUJOUVBQNYHLCG-UHFFFAOYSA-N 1 0 386.477 3.106 20 5 GGBDRO CCN(CCC[NH+]1CCCC1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000188116811 1431848978 /nfs/dbraw/zinc/84/89/78/1431848978.db2.gz LZEUXOFOCFRXJW-UHFFFAOYSA-N 1 0 391.515 3.489 20 5 GGBDRO Cc1ccc(NC(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000188303120 1431871146 /nfs/dbraw/zinc/87/11/46/1431871146.db2.gz PSRNBBMUANWQQF-NRFANRHFSA-N 1 0 398.463 3.004 20 5 GGBDRO Cc1ccc(NC(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000188303096 1431871188 /nfs/dbraw/zinc/87/11/88/1431871188.db2.gz PSRNBBMUANWQQF-OAQYLSRUSA-N 1 0 398.463 3.004 20 5 GGBDRO CCCN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000188348414 1431875875 /nfs/dbraw/zinc/87/58/75/1431875875.db2.gz OBNLUKZDKFTHCP-GOSISDBHSA-N 1 0 398.463 3.212 20 5 GGBDRO COc1cc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc([N+](=O)[O-])c1C ZINC000188709488 1431941309 /nfs/dbraw/zinc/94/13/09/1431941309.db2.gz UKORVATXMBRKNU-UHFFFAOYSA-N 1 0 375.469 3.439 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188838226 1431994083 /nfs/dbraw/zinc/99/40/83/1431994083.db2.gz NENVZSHEUYRTTE-OAQYLSRUSA-N 1 0 398.463 3.004 20 5 GGBDRO COc1cc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000188855647 1431999131 /nfs/dbraw/zinc/99/91/31/1431999131.db2.gz LENRBGOLEDHALG-VQIMIIECSA-N 1 0 386.448 3.433 20 5 GGBDRO O=C1c2ccccc2C(=O)N1C1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000189048510 1432034172 /nfs/dbraw/zinc/03/41/72/1432034172.db2.gz GOSQGACPRRLZDD-UHFFFAOYSA-N 1 0 379.416 3.292 20 5 GGBDRO O=C1c2ccccc2C(=O)N1C1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000189056044 1432035953 /nfs/dbraw/zinc/03/59/53/1432035953.db2.gz ZIWOKIZZXQFWGM-UHFFFAOYSA-N 1 0 379.416 3.292 20 5 GGBDRO Cc1cc(NC(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000189310135 1432083093 /nfs/dbraw/zinc/08/30/93/1432083093.db2.gz FFCIDGUCPLFEBH-OAQYLSRUSA-N 1 0 398.463 3.004 20 5 GGBDRO COC(=O)c1cnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c([N+](=O)[O-])c1 ZINC000189357279 1432092797 /nfs/dbraw/zinc/09/27/97/1432092797.db2.gz AFAMVZBNXALKCH-HNNXBMFYSA-N 1 0 390.484 3.257 20 5 GGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCOCC(F)(F)C(F)F)CC2)cc1 ZINC000189477071 1432127311 /nfs/dbraw/zinc/12/73/11/1432127311.db2.gz ALZSOHUPMPLHAW-UHFFFAOYSA-N 1 0 380.338 3.355 20 5 GGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000189683091 1432202430 /nfs/dbraw/zinc/20/24/30/1432202430.db2.gz AXQMCPGIHWMWAZ-HUUCEWRRSA-N 1 0 383.514 3.168 20 5 GGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000189683055 1432202931 /nfs/dbraw/zinc/20/29/31/1432202931.db2.gz AXQMCPGIHWMWAZ-GASCZTMLSA-N 1 0 383.514 3.168 20 5 GGBDRO CC[NH+](CC)Cc1cccc(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)c1 ZINC000189701443 1432208876 /nfs/dbraw/zinc/20/88/76/1432208876.db2.gz JEKWDRYFKKOTAX-UHFFFAOYSA-N 1 0 391.493 3.452 20 5 GGBDRO C[C@H](CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)[N@H+](C)Cc1ccccc1 ZINC000189900630 1432267270 /nfs/dbraw/zinc/26/72/70/1432267270.db2.gz IJYKPAPYZSAIRU-OAHLLOKOSA-N 1 0 391.493 3.321 20 5 GGBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000190121773 1432323410 /nfs/dbraw/zinc/32/34/10/1432323410.db2.gz BEBBIBLKRXYECG-JKSUJKDBSA-N 1 0 395.525 3.143 20 5 GGBDRO COC(=O)c1cnc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000190171797 1432332999 /nfs/dbraw/zinc/33/29/99/1432332999.db2.gz YYMZSYGJDOOOBX-UHFFFAOYSA-N 1 0 398.463 3.125 20 5 GGBDRO Cc1c(NC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cccc1[N+](=O)[O-] ZINC000190334152 1432363592 /nfs/dbraw/zinc/36/35/92/1432363592.db2.gz BWRSIZPUFMJHEM-UHFFFAOYSA-N 1 0 396.447 3.119 20 5 GGBDRO CC(C)c1ccc(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000190343616 1432364687 /nfs/dbraw/zinc/36/46/87/1432364687.db2.gz UDKJJUHRKGHQRX-MOPGFXCFSA-N 1 0 397.475 3.083 20 5 GGBDRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)cc([N+](=O)[O-])c1C ZINC000190477939 1432389008 /nfs/dbraw/zinc/38/90/08/1432389008.db2.gz RGOVGBFKPRXTTC-UHFFFAOYSA-N 1 0 389.427 3.255 20 5 GGBDRO Cc1ccc(C[NH2+][C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1[N+](=O)[O-] ZINC000190481236 1432390119 /nfs/dbraw/zinc/39/01/19/1432390119.db2.gz OIJHOZZWCMMJFC-SFHVURJKSA-N 1 0 389.402 3.462 20 5 GGBDRO CC[NH+](CC)Cc1ccc(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)cc1 ZINC000190544874 1432402534 /nfs/dbraw/zinc/40/25/34/1432402534.db2.gz CECZTSOTKHUMNF-UHFFFAOYSA-N 1 0 385.420 3.476 20 5 GGBDRO CC[NH+](CC)Cc1ccc(NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000190580197 1432412056 /nfs/dbraw/zinc/41/20/56/1432412056.db2.gz XGWPOAKQOPLVCX-HNNXBMFYSA-N 1 0 398.463 3.194 20 5 GGBDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000190740684 1432463827 /nfs/dbraw/zinc/46/38/27/1432463827.db2.gz MUTPMAALADPXPO-UHFFFAOYSA-N 1 0 386.477 3.287 20 5 GGBDRO COc1cc(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc([N+](=O)[O-])c1C ZINC000190795446 1432482527 /nfs/dbraw/zinc/48/25/27/1432482527.db2.gz KBOXFJRUMXUGFZ-QGZVFWFLSA-N 1 0 389.496 3.496 20 5 GGBDRO COc1cc(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc([N+](=O)[O-])c1C ZINC000190795462 1432482944 /nfs/dbraw/zinc/48/29/44/1432482944.db2.gz KBOXFJRUMXUGFZ-KRWDZBQOSA-N 1 0 389.496 3.496 20 5 GGBDRO Cc1ccc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000190839930 1432503083 /nfs/dbraw/zinc/50/30/83/1432503083.db2.gz IDKKLZGGBDTTFC-IBGZPJMESA-N 1 0 398.463 3.316 20 5 GGBDRO CC[NH+](CC)Cc1ccc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000191055666 1432558585 /nfs/dbraw/zinc/55/85/85/1432558585.db2.gz PNRMRBAGCAABRM-UHFFFAOYSA-N 1 0 377.466 3.379 20 5 GGBDRO CCO[C@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1(CC)CC ZINC000191070347 1432561447 /nfs/dbraw/zinc/56/14/47/1432561447.db2.gz FLBBKWPSHBCESV-SJORKVTESA-N 1 0 379.457 3.115 20 5 GGBDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1(CC)CC ZINC000191070380 1432561676 /nfs/dbraw/zinc/56/16/76/1432561676.db2.gz FLBBKWPSHBCESV-IAGOWNOFSA-N 1 0 379.457 3.115 20 5 GGBDRO CCO[C@H]1C[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1(CC)CC ZINC000191070364 1432561686 /nfs/dbraw/zinc/56/16/86/1432561686.db2.gz FLBBKWPSHBCESV-IRXDYDNUSA-N 1 0 379.457 3.115 20 5 GGBDRO CC[NH+]1CCC(n2nccc2NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1 ZINC000191095509 1432566927 /nfs/dbraw/zinc/56/69/27/1432566927.db2.gz NELWBEMPZUXLSF-UHFFFAOYSA-N 1 0 387.440 3.017 20 5 GGBDRO COc1cc(C[N@H+](C)CC2CC(O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000191168139 1432580696 /nfs/dbraw/zinc/58/06/96/1432580696.db2.gz VWIIWRWARDAIRG-UHFFFAOYSA-N 1 0 386.448 3.385 20 5 GGBDRO COc1cc(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc([N+](=O)[O-])c1C ZINC000191245527 1432602996 /nfs/dbraw/zinc/60/29/96/1432602996.db2.gz NPXIEPBOQFRTFS-GOSISDBHSA-N 1 0 397.475 3.206 20 5 GGBDRO COc1cc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc([N+](=O)[O-])c1C ZINC000191364693 1432642494 /nfs/dbraw/zinc/64/24/94/1432642494.db2.gz GSTWMLKMEMOMLY-UHFFFAOYSA-N 1 0 383.448 3.438 20 5 GGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000191388948 1432648557 /nfs/dbraw/zinc/64/85/57/1432648557.db2.gz GWWITBOBQLDIDT-SFHVURJKSA-N 1 0 398.463 3.100 20 5 GGBDRO CCCn1ccnc1CCC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000191481794 1432669164 /nfs/dbraw/zinc/66/91/64/1432669164.db2.gz WSUSSQDNAIYNNC-UHFFFAOYSA-N 1 0 387.484 3.403 20 5 GGBDRO COc1cc(C[NH2+]C[C@@](C)(Cc2ccccc2)[C@H](C)O)c([N+](=O)[O-])cc1OC ZINC000191714855 1432712072 /nfs/dbraw/zinc/71/20/72/1432712072.db2.gz IOLOKLGHOUACHD-YCRPNKLZSA-N 1 0 388.464 3.331 20 5 GGBDRO O=C(C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000191888333 1432747985 /nfs/dbraw/zinc/74/79/85/1432747985.db2.gz MAWLDUIQFZGAPC-HOTGVXAUSA-N 1 0 397.431 3.263 20 5 GGBDRO Cc1cc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1[N+](=O)[O-] ZINC000191929482 1432757957 /nfs/dbraw/zinc/75/79/57/1432757957.db2.gz QUMXJFLHDXKQHW-LJQANCHMSA-N 1 0 398.463 3.316 20 5 GGBDRO CC[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000191977379 1432773355 /nfs/dbraw/zinc/77/33/55/1432773355.db2.gz FFQUNJFQDVUPBC-UHFFFAOYSA-N 1 0 389.477 3.274 20 5 GGBDRO O=C(C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000192024404 1432780981 /nfs/dbraw/zinc/78/09/81/1432780981.db2.gz YREHWXIKDJQNGB-MAUKXSAKSA-N 1 0 375.812 3.307 20 5 GGBDRO CN(C(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000192024021 1432781092 /nfs/dbraw/zinc/78/10/92/1432781092.db2.gz MZGGJJUFUUPMOA-MJGOQNOKSA-N 1 0 389.839 3.331 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192058182 1432789941 /nfs/dbraw/zinc/78/99/41/1432789941.db2.gz GCZWBWNGDJRYRK-JTDSTZFVSA-N 1 0 392.839 3.108 20 5 GGBDRO O=C(C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000192075581 1432793576 /nfs/dbraw/zinc/79/35/76/1432793576.db2.gz IMUWACAMHUJLMU-QAPCUYQASA-N 1 0 393.802 3.446 20 5 GGBDRO NC(=O)c1ccc(C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 ZINC000192093486 1432797175 /nfs/dbraw/zinc/79/71/75/1432797175.db2.gz CXVWGRFYCYDBTP-RDJZCZTQSA-N 1 0 393.802 3.106 20 5 GGBDRO NC(=O)c1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 ZINC000192093473 1432797421 /nfs/dbraw/zinc/79/74/21/1432797421.db2.gz CXVWGRFYCYDBTP-WBVHZDCISA-N 1 0 393.802 3.106 20 5 GGBDRO Cc1ccc([C@@H](C)[NH2+]CCN(Cc2ccccc2)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000192162375 1432810359 /nfs/dbraw/zinc/81/03/59/1432810359.db2.gz GQEKDYUZYJPKAJ-MRXNPFEDSA-N 1 0 391.493 3.016 20 5 GGBDRO CCc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000192220476 1432818490 /nfs/dbraw/zinc/81/84/90/1432818490.db2.gz JREFYSUCPGTQHV-FQEVSTJZSA-N 1 0 397.475 3.178 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192351101 1432835321 /nfs/dbraw/zinc/83/53/21/1432835321.db2.gz SYTUBRJKUYQIJM-MLGOLLRUSA-N 1 0 385.420 3.303 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192368479 1432837753 /nfs/dbraw/zinc/83/77/53/1432837753.db2.gz XKUNNSFGFRQKAQ-MRXNPFEDSA-N 1 0 385.420 3.305 20 5 GGBDRO COc1cccc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1[N+](=O)[O-] ZINC000192466747 1432848191 /nfs/dbraw/zinc/84/81/91/1432848191.db2.gz NZDMTCFAQGMZRH-UHFFFAOYSA-N 1 0 389.477 3.307 20 5 GGBDRO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000192501722 1432851920 /nfs/dbraw/zinc/85/19/20/1432851920.db2.gz CCNIGMVIPZXBHZ-GASCZTMLSA-N 1 0 387.484 3.341 20 5 GGBDRO CCC(CC)(C[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)OC ZINC000192700339 1432876948 /nfs/dbraw/zinc/87/69/48/1432876948.db2.gz OAZTUTNAEVPZBT-LLVKDONJSA-N 1 0 385.848 3.144 20 5 GGBDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192725519 1432880494 /nfs/dbraw/zinc/88/04/94/1432880494.db2.gz SYRKSIFHBJUEMR-DJJJIMSYSA-N 1 0 389.477 3.231 20 5 GGBDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192811129 1432893690 /nfs/dbraw/zinc/89/36/90/1432893690.db2.gz RSBOFJYSGZVSPE-YJYMSZOUSA-N 1 0 389.477 3.231 20 5 GGBDRO COc1cccc(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000192819674 1432894626 /nfs/dbraw/zinc/89/46/26/1432894626.db2.gz KZWLUEXVGUDUJC-UHFFFAOYSA-N 1 0 375.469 3.332 20 5 GGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)CCC2 ZINC000192835769 1432896721 /nfs/dbraw/zinc/89/67/21/1432896721.db2.gz IKDKBZRALFGGTM-AUUYWEPGSA-N 1 0 378.375 3.280 20 5 GGBDRO O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000192867333 1432900928 /nfs/dbraw/zinc/90/09/28/1432900928.db2.gz JVTLAQRNUOTAJF-GOSISDBHSA-N 1 0 395.459 3.484 20 5 GGBDRO O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000192867317 1432900952 /nfs/dbraw/zinc/90/09/52/1432900952.db2.gz JVTLAQRNUOTAJF-SFHVURJKSA-N 1 0 395.459 3.484 20 5 GGBDRO CCOC(=O)c1ccnc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192959198 1432913453 /nfs/dbraw/zinc/91/34/53/1432913453.db2.gz IMFZZIASKSQIFA-MRXNPFEDSA-N 1 0 384.436 3.101 20 5 GGBDRO O=C1COc2ccccc2N1CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193008326 1432921502 /nfs/dbraw/zinc/92/15/02/1432921502.db2.gz XNWLNMMSUOQAIJ-SFHVURJKSA-N 1 0 381.432 3.378 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000193243361 1432966243 /nfs/dbraw/zinc/96/62/43/1432966243.db2.gz UTPHNZMYDHOWGQ-UHFFFAOYSA-N 1 0 398.463 3.432 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)NC3(C)CC[NH2+]CC3)cc2[N+](=O)[O-])n1 ZINC000193381338 1432988344 /nfs/dbraw/zinc/98/83/44/1432988344.db2.gz KRPJFIPKXOOFBP-UHFFFAOYSA-N 1 0 392.506 3.383 20 5 GGBDRO CCC[C@@H]([NH2+]CC1(N2CCOCC2)CC(OCC)C1)c1cccc([N+](=O)[O-])c1 ZINC000193402096 1432991822 /nfs/dbraw/zinc/99/18/22/1432991822.db2.gz OAFIJAIBIXUKHJ-NYLDSWQDSA-N 1 0 391.512 3.296 20 5 GGBDRO CC(C)(C)[NH+]1CCC(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000193447424 1433000746 /nfs/dbraw/zinc/00/07/46/1433000746.db2.gz WBHYYWAAHKYPAX-UHFFFAOYSA-N 1 0 388.512 3.190 20 5 GGBDRO Cc1cc(N2CCC[C@@H](c3nc(N(C)C)no3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000193506044 1433010900 /nfs/dbraw/zinc/01/09/00/1433010900.db2.gz FELFJHBTUFOQNU-CYBMUJFWSA-N 1 0 382.424 3.284 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N[C@@H]3CCC[NH2+][C@H]3C)cc2[N+](=O)[O-])n1 ZINC000193586624 1433024198 /nfs/dbraw/zinc/02/41/98/1433024198.db2.gz GHQZHJQGOLZQRM-WCQYABFASA-N 1 0 392.506 3.381 20 5 GGBDRO Cc1cccc(C[NH+]2CCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)CC2)c1 ZINC000193631208 1433031301 /nfs/dbraw/zinc/03/13/01/1433031301.db2.gz RJLCZDWNMUDOOO-UHFFFAOYSA-N 1 0 380.448 3.110 20 5 GGBDRO C[NH+](C)CCN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CCCCC1 ZINC000193788390 1433059551 /nfs/dbraw/zinc/05/95/51/1433059551.db2.gz UBSZORVKVUNSKK-UHFFFAOYSA-N 1 0 385.468 3.117 20 5 GGBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000193789351 1433059823 /nfs/dbraw/zinc/05/98/23/1433059823.db2.gz IFGAQCCTWIIMPK-UHFFFAOYSA-N 1 0 387.436 3.080 20 5 GGBDRO CCOC(=O)c1cc(C(=O)N(CC[NH+](C)C)C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000193789948 1433059830 /nfs/dbraw/zinc/05/98/30/1433059830.db2.gz OKRZZYPRDLSKNG-UHFFFAOYSA-N 1 0 391.468 3.108 20 5 GGBDRO C[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[N@@H+]1CCc2ccccc2C1 ZINC000193838408 1433070173 /nfs/dbraw/zinc/07/01/73/1433070173.db2.gz BPYMYUMYXYBOFY-CQSZACIVSA-N 1 0 380.448 3.338 20 5 GGBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000193839301 1433070616 /nfs/dbraw/zinc/07/06/16/1433070616.db2.gz JIANJNNIZDNAHZ-KRWDZBQOSA-N 1 0 390.443 3.395 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193840974 1433070780 /nfs/dbraw/zinc/07/07/80/1433070780.db2.gz YZRRBRPWXJNHPA-INIZCTEOSA-N 1 0 387.867 3.429 20 5 GGBDRO C[NH+](C)CC(C)(C)CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000193929856 1433086923 /nfs/dbraw/zinc/08/69/23/1433086923.db2.gz YBOPPBVEMIWBEF-UHFFFAOYSA-N 1 0 385.464 3.491 20 5 GGBDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1O2 ZINC000193954024 1433091604 /nfs/dbraw/zinc/09/16/04/1433091604.db2.gz DTBZISIRNSUEIZ-GOSISDBHSA-N 1 0 381.432 3.313 20 5 GGBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC1CC[NH+](CCc2ccccc2)CC1 ZINC000193958089 1433092388 /nfs/dbraw/zinc/09/23/88/1433092388.db2.gz GLBBLEDVBJJZHV-UHFFFAOYSA-N 1 0 397.475 3.187 20 5 GGBDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1O2 ZINC000193974871 1433094656 /nfs/dbraw/zinc/09/46/56/1433094656.db2.gz IESHIDZHXWJRPO-QGZVFWFLSA-N 1 0 381.432 3.313 20 5 GGBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000194219530 1433140913 /nfs/dbraw/zinc/14/09/13/1433140913.db2.gz KKFJXGDJAKFLNM-UHFFFAOYSA-N 1 0 386.496 3.189 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000194262219 1433151471 /nfs/dbraw/zinc/15/14/71/1433151471.db2.gz ZNBYHTHNXJMJIS-UHFFFAOYSA-N 1 0 398.463 3.067 20 5 GGBDRO COc1cccc([C@H](CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000194276964 1433154070 /nfs/dbraw/zinc/15/40/70/1433154070.db2.gz YLRMGLUCEDNJOJ-LIRRHRJNSA-N 1 0 386.452 3.267 20 5 GGBDRO COc1ccc(NC(=O)CC[NH+]2CCC(OCCC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000194339790 1433163797 /nfs/dbraw/zinc/16/37/97/1433163797.db2.gz CIDNFYVHUVAYLQ-UHFFFAOYSA-N 1 0 393.484 3.459 20 5 GGBDRO COc1cccc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000194528830 1433192944 /nfs/dbraw/zinc/19/29/44/1433192944.db2.gz HSADVOOYRZCETD-QGZVFWFLSA-N 1 0 383.448 3.198 20 5 GGBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000194588685 1433202209 /nfs/dbraw/zinc/20/22/09/1433202209.db2.gz AAEOTKRDCVHOAY-KRWDZBQOSA-N 1 0 383.448 3.245 20 5 GGBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000194607622 1433204776 /nfs/dbraw/zinc/20/47/76/1433204776.db2.gz JUMDGRNMENGRGI-QGZVFWFLSA-N 1 0 383.448 3.198 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000194653554 1433211602 /nfs/dbraw/zinc/21/16/02/1433211602.db2.gz WBYYZKXZISXRHY-QGZVFWFLSA-N 1 0 383.448 3.132 20 5 GGBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000194871154 1433253191 /nfs/dbraw/zinc/25/31/91/1433253191.db2.gz PAQLLUPIVMLWAO-UHFFFAOYSA-N 1 0 383.448 3.340 20 5 GGBDRO COc1cccc(C(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000194903522 1433261287 /nfs/dbraw/zinc/26/12/87/1433261287.db2.gz JTOINVIEXTTZHJ-SFHVURJKSA-N 1 0 385.464 3.490 20 5 GGBDRO COc1cccc(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000194917158 1433264171 /nfs/dbraw/zinc/26/41/71/1433264171.db2.gz RRFIKSXHYUFBHT-SFHVURJKSA-N 1 0 383.448 3.244 20 5 GGBDRO COCC[NH+]1CCC(Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000194957864 1433272339 /nfs/dbraw/zinc/27/23/39/1433272339.db2.gz IOYQJPSXPKDAGC-UHFFFAOYSA-N 1 0 383.448 3.349 20 5 GGBDRO CSc1ccc(C(=O)NCc2ccccc2OCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000194964136 1433273407 /nfs/dbraw/zinc/27/34/07/1433273407.db2.gz KHZFYPZLGSTXIA-UHFFFAOYSA-N 1 0 389.477 3.187 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000195064395 1433287517 /nfs/dbraw/zinc/28/75/17/1433287517.db2.gz ILPHHSJGYAWYLM-UHFFFAOYSA-N 1 0 397.475 3.350 20 5 GGBDRO CC(C)[NH+](CCNC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(C)C ZINC000195123909 1433295598 /nfs/dbraw/zinc/29/55/98/1433295598.db2.gz JKISKLFWFUCONL-UHFFFAOYSA-N 1 0 376.501 3.046 20 5 GGBDRO COc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)[NH+]2CCCCC2)cc1 ZINC000195128899 1433296581 /nfs/dbraw/zinc/29/65/81/1433296581.db2.gz HFZRKWNQJHTBHU-FQEVSTJZSA-N 1 0 398.463 3.143 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000195266400 1433313400 /nfs/dbraw/zinc/31/34/00/1433313400.db2.gz SQVWLDNMJKVUMN-SFHVURJKSA-N 1 0 386.452 3.014 20 5 GGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(OC)c1[N+](=O)[O-])c1ccsc1 ZINC000195421022 1433328022 /nfs/dbraw/zinc/32/80/22/1433328022.db2.gz XPWNFTKJGRIZAZ-HNNXBMFYSA-N 1 0 377.466 3.478 20 5 GGBDRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(OC)c1[N+](=O)[O-])c1ccsc1 ZINC000195421026 1433328044 /nfs/dbraw/zinc/32/80/44/1433328044.db2.gz XPWNFTKJGRIZAZ-OAHLLOKOSA-N 1 0 377.466 3.478 20 5 GGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000198120766 1433347440 /nfs/dbraw/zinc/34/74/40/1433347440.db2.gz SDUMTXRXJMZKBU-KRWDZBQOSA-N 1 0 390.528 3.438 20 5 GGBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000198120753 1433347476 /nfs/dbraw/zinc/34/74/76/1433347476.db2.gz SDUMTXRXJMZKBU-QGZVFWFLSA-N 1 0 390.528 3.438 20 5 GGBDRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 ZINC000236651175 1433375261 /nfs/dbraw/zinc/37/52/61/1433375261.db2.gz QBOHMMFRASCOAQ-UHFFFAOYSA-N 1 0 391.493 3.095 20 5 GGBDRO CCN(C)CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236871378 1433381460 /nfs/dbraw/zinc/38/14/60/1433381460.db2.gz ZECXERSLRXZSFE-UHFFFAOYSA-N 1 0 379.464 3.489 20 5 GGBDRO CCCOc1ncccc1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236982789 1433384929 /nfs/dbraw/zinc/38/49/29/1433384929.db2.gz HQXFPFISRIUNCY-UHFFFAOYSA-N 1 0 381.436 3.469 20 5 GGBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)C1 ZINC000237059361 1433387414 /nfs/dbraw/zinc/38/74/14/1433387414.db2.gz XUAODKGSVIYWHH-OAHLLOKOSA-N 1 0 399.447 3.467 20 5 GGBDRO COc1cc(C(=O)N(C)[C@H](C)C[NH3+])ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000237083576 1433388490 /nfs/dbraw/zinc/38/84/90/1433388490.db2.gz VFYOKLILLXBIMJ-LLVKDONJSA-N 1 0 393.827 3.468 20 5 GGBDRO COc1cc(C[NH2+]CCn2ccnc2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237208718 1433392807 /nfs/dbraw/zinc/39/28/07/1433392807.db2.gz NJLXOTZHPXAINH-UHFFFAOYSA-N 1 0 382.420 3.169 20 5 GGBDRO COc1cc(C(=O)N2CC[NH2+]CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000237242264 1433393877 /nfs/dbraw/zinc/39/38/77/1433393877.db2.gz KOQSHFFOQDRSSH-UHFFFAOYSA-N 1 0 391.811 3.095 20 5 GGBDRO COc1cc(C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000237258330 1433394736 /nfs/dbraw/zinc/39/47/36/1433394736.db2.gz SQWARCZBQQUPET-MRXNPFEDSA-N 1 0 387.436 3.165 20 5 GGBDRO C[NH2+]CCN(C)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000237354317 1433398706 /nfs/dbraw/zinc/39/87/06/1433398706.db2.gz SOMXPODJVUZFHH-UHFFFAOYSA-N 1 0 393.827 3.341 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)N2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000237372868 1433399610 /nfs/dbraw/zinc/39/96/10/1433399610.db2.gz FNELLCJYQITJBJ-ZBFHGGJFSA-N 1 0 383.452 3.116 20 5 GGBDRO CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000237382903 1433399759 /nfs/dbraw/zinc/39/97/59/1433399759.db2.gz NWKXFYOYCYEUPU-MRXNPFEDSA-N 1 0 399.472 3.015 20 5 GGBDRO CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000237382927 1433399925 /nfs/dbraw/zinc/39/99/25/1433399925.db2.gz XDUTWHDDHZZRSV-AWEZNQCLSA-N 1 0 399.472 3.030 20 5 GGBDRO COc1cc(C[NH2+]C[C@H](c2ccc(C)o2)N2CCCC2)c([N+](=O)[O-])cc1OC ZINC000237425852 1433402546 /nfs/dbraw/zinc/40/25/46/1433402546.db2.gz PQINSFQHEWSHHF-QGZVFWFLSA-N 1 0 389.452 3.440 20 5 GGBDRO COc1ccc(OCC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000237429050 1433402823 /nfs/dbraw/zinc/40/28/23/1433402823.db2.gz BZUCGVVLGQNAFX-UHFFFAOYSA-N 1 0 382.420 3.173 20 5 GGBDRO COc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000237449738 1433403549 /nfs/dbraw/zinc/40/35/49/1433403549.db2.gz YHUQTSLKMFGHEI-UHFFFAOYSA-N 1 0 382.420 3.302 20 5 GGBDRO C[C@@H](CN1CCOCC1)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000237507376 1433407050 /nfs/dbraw/zinc/40/70/50/1433407050.db2.gz XYPYSQUJGOVUTJ-HNNXBMFYSA-N 1 0 389.427 3.337 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N3C[C@H](C)[NH2+]C[C@@H]3C)cc2[N+](=O)[O-])n1 ZINC000237564334 1433409950 /nfs/dbraw/zinc/40/99/50/1433409950.db2.gz BCLNKRZKBZGJSK-JQWIXIFHSA-N 1 0 392.506 3.333 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000237569333 1433410183 /nfs/dbraw/zinc/41/01/83/1433410183.db2.gz GRHYSQKIJGSAOO-UHFFFAOYSA-N 1 0 383.404 3.064 20 5 GGBDRO COc1cccc2c1OC[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C2 ZINC000237586758 1433411139 /nfs/dbraw/zinc/41/11/39/1433411139.db2.gz SNJZSTFGMYDMFV-KRWDZBQOSA-N 1 0 394.431 3.097 20 5 GGBDRO COc1cccc2c1OC[C@H]([NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C2 ZINC000237584096 1433411147 /nfs/dbraw/zinc/41/11/47/1433411147.db2.gz SNJZSTFGMYDMFV-QGZVFWFLSA-N 1 0 394.431 3.097 20 5 GGBDRO C[C@H]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000237646851 1433414350 /nfs/dbraw/zinc/41/43/50/1433414350.db2.gz ABJMARWMVOPVGP-MGPUTAFESA-N 1 0 382.464 3.406 20 5 GGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)cc1 ZINC000237645209 1433414598 /nfs/dbraw/zinc/41/45/98/1433414598.db2.gz IUOMKIMONLVGFZ-LJQANCHMSA-N 1 0 375.856 3.411 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)NC[C@H]3CCCC[NH2+]3)cc2[N+](=O)[O-])n1 ZINC000237649383 1433414944 /nfs/dbraw/zinc/41/49/44/1433414944.db2.gz DSMJSRPTSOJOEJ-CYBMUJFWSA-N 1 0 392.506 3.383 20 5 GGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)cc1 ZINC000237651171 1433414947 /nfs/dbraw/zinc/41/49/47/1433414947.db2.gz IUOMKIMONLVGFZ-IBGZPJMESA-N 1 0 375.856 3.411 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)NC[C@@H]3CCC[NH2+]C3)cc2[N+](=O)[O-])n1 ZINC000237649316 1433415076 /nfs/dbraw/zinc/41/50/76/1433415076.db2.gz BFBJQIMSPJPGBN-GFCCVEGCSA-N 1 0 392.506 3.240 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000237785072 1433423913 /nfs/dbraw/zinc/42/39/13/1433423913.db2.gz WJTDYEGMXJBBQN-LJQANCHMSA-N 1 0 375.856 3.411 20 5 GGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)cc1 ZINC000237794605 1433424649 /nfs/dbraw/zinc/42/46/49/1433424649.db2.gz UDMBKQORISDCOS-IBGZPJMESA-N 1 0 375.856 3.411 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C(=O)OC3CC[NH2+]CC3)c2)c1 ZINC000237868785 1433430370 /nfs/dbraw/zinc/43/03/70/1433430370.db2.gz DYDZQGWHKZINFN-UHFFFAOYSA-N 1 0 383.404 3.064 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](O)COCC3CC3)o2)c(Cl)c1 ZINC000237965217 1433437398 /nfs/dbraw/zinc/43/73/98/1433437398.db2.gz AIGNAUHLIIQJOL-CQSZACIVSA-N 1 0 380.828 3.385 20 5 GGBDRO O=[N+]([O-])c1cc(CNC[C@@H](O)C[NH+]2CCCC2)ccc1Oc1ccc(F)cc1 ZINC000237962672 1433437432 /nfs/dbraw/zinc/43/74/32/1433437432.db2.gz LPKJLVFGIMKVDS-QGZVFWFLSA-N 1 0 389.427 3.073 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H](O)C[NH+]3CCCC3)o2)c(Cl)c1 ZINC000237965129 1433437494 /nfs/dbraw/zinc/43/74/94/1433437494.db2.gz DGZICNGKAQSUDS-CQSZACIVSA-N 1 0 379.844 3.055 20 5 GGBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000238002554 1433438771 /nfs/dbraw/zinc/43/87/71/1433438771.db2.gz CYOJGWJIUREPBZ-DGCLKSJQSA-N 1 0 388.390 3.049 20 5 GGBDRO O=[N+]([O-])c1cc(CNC[C@H](O)C[NH+]2CCCC2)ccc1Oc1ccc(F)cc1 ZINC000238063565 1433441516 /nfs/dbraw/zinc/44/15/16/1433441516.db2.gz LPKJLVFGIMKVDS-KRWDZBQOSA-N 1 0 389.427 3.073 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCN3CCC(O)CC3)s2)cc1 ZINC000238151098 1433444345 /nfs/dbraw/zinc/44/43/45/1433444345.db2.gz UQJDDLTZNGNXLC-UHFFFAOYSA-N 1 0 375.494 3.260 20 5 GGBDRO CCC[N@H+](C)C[C@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000245413039 1433463047 /nfs/dbraw/zinc/46/30/47/1433463047.db2.gz BBSOHGQOJLZVDV-ZIAGYGMSSA-N 1 0 382.892 3.239 20 5 GGBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245434041 1433467042 /nfs/dbraw/zinc/46/70/42/1433467042.db2.gz CCYQHYDJSGODRP-PKOBYXMFSA-N 1 0 396.491 3.376 20 5 GGBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245436352 1433467229 /nfs/dbraw/zinc/46/72/29/1433467229.db2.gz DGOLFMFDSJDIBE-GJZGRUSLSA-N 1 0 394.903 3.383 20 5 GGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000245448267 1433469689 /nfs/dbraw/zinc/46/96/89/1433469689.db2.gz MTKGJUNTXUAXAC-SJLPKXTDSA-N 1 0 383.448 3.461 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000245535436 1433482268 /nfs/dbraw/zinc/48/22/68/1433482268.db2.gz WQQIBRYLEBPOQU-LSDHHAIUSA-N 1 0 389.452 3.050 20 5 GGBDRO COc1cc(C[N@H+](C)C[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OCC(F)F ZINC000245888218 1433534367 /nfs/dbraw/zinc/53/43/67/1433534367.db2.gz BVBLCRWZSWGFKT-SWLSCSKDSA-N 1 0 388.411 3.230 20 5 GGBDRO COc1cc(C[N@H+](C)C[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OCC(F)F ZINC000245888214 1433534728 /nfs/dbraw/zinc/53/47/28/1433534728.db2.gz BVBLCRWZSWGFKT-IUODEOHRSA-N 1 0 388.411 3.230 20 5 GGBDRO COc1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000245898640 1433537194 /nfs/dbraw/zinc/53/71/94/1433537194.db2.gz DHVRTEAAFKPXOL-UKRRQHHQSA-N 1 0 399.438 3.163 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000245913687 1433541276 /nfs/dbraw/zinc/54/12/76/1433541276.db2.gz RPSDIXLSBSFHOD-DLBZAZTESA-N 1 0 393.509 3.218 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000245916608 1433541897 /nfs/dbraw/zinc/54/18/97/1433541897.db2.gz WSGGLBGZDNEHNB-LDQXTDLNSA-N 1 0 386.448 3.092 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000245916601 1433541955 /nfs/dbraw/zinc/54/19/55/1433541955.db2.gz WSGGLBGZDNEHNB-BSIFCXSSSA-N 1 0 386.448 3.092 20 5 GGBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000245952402 1433549798 /nfs/dbraw/zinc/54/97/98/1433549798.db2.gz SSQYRQTWPCVWPR-CTNGQTDRSA-N 1 0 383.448 3.430 20 5 GGBDRO CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246178353 1433578444 /nfs/dbraw/zinc/57/84/44/1433578444.db2.gz QVYHMPKWBWWFPR-XLIONFOSSA-N 1 0 397.479 3.086 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000246270369 1433588216 /nfs/dbraw/zinc/58/82/16/1433588216.db2.gz AVWKEWIMWUMHSG-DLBZAZTESA-N 1 0 388.512 3.387 20 5 GGBDRO Cc1c(NC(=O)CCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000246281572 1433589312 /nfs/dbraw/zinc/58/93/12/1433589312.db2.gz AYLSQYCDAFCMCR-OXJNMPFZSA-N 1 0 386.496 3.181 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246285136 1433589641 /nfs/dbraw/zinc/58/96/41/1433589641.db2.gz CQFCUFXIEJZSCM-SJORKVTESA-N 1 0 395.525 3.178 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000246317685 1433594413 /nfs/dbraw/zinc/59/44/13/1433594413.db2.gz GSMDAQJCZLVOCW-DLBZAZTESA-N 1 0 375.469 3.087 20 5 GGBDRO CCCCCCNC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246329721 1433595824 /nfs/dbraw/zinc/59/58/24/1433595824.db2.gz SQLOYXYPHSIMSC-IEBWSBKVSA-N 1 0 377.485 3.037 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246332965 1433596293 /nfs/dbraw/zinc/59/62/93/1433596293.db2.gz ICENINURMDFYAZ-SJORKVTESA-N 1 0 395.525 3.178 20 5 GGBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@@H](C[NH+](C)C)C3)cc2[N+](=O)[O-])C1 ZINC000246394170 1433606301 /nfs/dbraw/zinc/60/63/01/1433606301.db2.gz PQCOJQZHPQAKQO-BBWFWOEESA-N 1 0 388.512 3.101 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)o2)cc1 ZINC000246477627 1433618686 /nfs/dbraw/zinc/61/86/86/1433618686.db2.gz GIMHMSXPVDQQRR-YJBOKZPZSA-N 1 0 383.452 3.094 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000246524400 1433625272 /nfs/dbraw/zinc/62/52/72/1433625272.db2.gz CGBMJXHJXHYDOJ-FUHWJXTLSA-N 1 0 395.525 3.011 20 5 GGBDRO CCOC(=O)CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000246554919 1433630389 /nfs/dbraw/zinc/63/03/89/1433630389.db2.gz DQTNBWZNEVQMBM-CVEARBPZSA-N 1 0 391.468 3.286 20 5 GGBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cccc1[N+](=O)[O-] ZINC000246558914 1433630844 /nfs/dbraw/zinc/63/08/44/1433630844.db2.gz KNUYYPKJIWWJFM-CRAIPNDOSA-N 1 0 387.436 3.413 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246655533 1433645782 /nfs/dbraw/zinc/64/57/82/1433645782.db2.gz AAGHJCXCCSEOGS-GOEBONIOSA-N 1 0 395.525 3.184 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(SC)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246666083 1433647025 /nfs/dbraw/zinc/64/70/25/1433647025.db2.gz AYEAJAZNCCREHW-YOEHRIQHSA-N 1 0 395.525 3.184 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246716169 1433654512 /nfs/dbraw/zinc/65/45/12/1433654512.db2.gz GAPYSZJXOQJEHY-XJKSGUPXSA-N 1 0 383.876 3.115 20 5 GGBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246736398 1433657740 /nfs/dbraw/zinc/65/77/40/1433657740.db2.gz XSVOSIYKTNAZSD-LPHOPBHVSA-N 1 0 399.495 3.001 20 5 GGBDRO C[C@H]([NH3+])C1CCN(C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000246741521 1433658710 /nfs/dbraw/zinc/65/87/10/1433658710.db2.gz GTYIQCFHGVPSCZ-OAGGEKHMSA-N 1 0 388.512 3.277 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246843813 1433677399 /nfs/dbraw/zinc/67/73/99/1433677399.db2.gz OTWWRNBFUXHJMY-JXFKEZNVSA-N 1 0 386.496 3.181 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000247207664 1433690998 /nfs/dbraw/zinc/69/09/98/1433690998.db2.gz UVQNLDWLKZEJQF-MSOLQXFVSA-N 1 0 398.511 3.397 20 5 GGBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)ccc1[N+](=O)[O-] ZINC000247231354 1433694163 /nfs/dbraw/zinc/69/41/63/1433694163.db2.gz NWLHPOPQXVTPSW-SJORKVTESA-N 1 0 395.525 3.178 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247339284 1433709749 /nfs/dbraw/zinc/70/97/49/1433709749.db2.gz ZCEZBKVZSQJWKM-DOTOQJQBSA-N 1 0 378.473 3.162 20 5 GGBDRO COc1ccc(C(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000247646087 1433742314 /nfs/dbraw/zinc/74/23/14/1433742314.db2.gz WCJMRGOTPADNLF-JIPZTSHUSA-N 1 0 397.475 3.490 20 5 GGBDRO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000247709997 1433747415 /nfs/dbraw/zinc/74/74/15/1433747415.db2.gz ZYGOHOBMFVCTKC-SJCJKPOMSA-N 1 0 398.385 3.397 20 5 GGBDRO COc1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000247930290 1433756848 /nfs/dbraw/zinc/75/68/48/1433756848.db2.gz BZHCNLFGVAOBSA-GXTWGEPZSA-N 1 0 385.411 3.121 20 5 GGBDRO CC(C)NC(=O)c1ccc(NC[C@H](Cc2ccccc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000248034864 1433764893 /nfs/dbraw/zinc/76/48/93/1433764893.db2.gz YTIYMUTWAGKHSX-SFHVURJKSA-N 1 0 384.480 3.318 20 5 GGBDRO Cc1c([C@H](C)[NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000248118362 1433770510 /nfs/dbraw/zinc/77/05/10/1433770510.db2.gz MZOYYRUPSMXERR-CUWPLCDZSA-N 1 0 383.492 3.437 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1[N+](=O)[O-] ZINC000248170588 1433777486 /nfs/dbraw/zinc/77/74/86/1433777486.db2.gz URNRBPLALUQIEQ-DZFGPLHGSA-N 1 0 383.492 3.437 20 5 GGBDRO COc1cc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000248183725 1433778381 /nfs/dbraw/zinc/77/83/81/1433778381.db2.gz WXZJIBLEDHEAMP-UGSOOPFHSA-N 1 0 386.395 3.332 20 5 GGBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000248402578 1433798609 /nfs/dbraw/zinc/79/86/09/1433798609.db2.gz VRPSZVCOFXIJFU-YPGOJHLTSA-N 1 0 396.491 3.280 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000248444395 1433803321 /nfs/dbraw/zinc/80/33/21/1433803321.db2.gz FXDJQDPXZWMZOP-NVXWUHKLSA-N 1 0 392.839 3.141 20 5 GGBDRO O=C(C[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000248461052 1433804733 /nfs/dbraw/zinc/80/47/33/1433804733.db2.gz OTQDKTGINXAPJT-LSDHHAIUSA-N 1 0 390.461 3.133 20 5 GGBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000248462819 1433804826 /nfs/dbraw/zinc/80/48/26/1433804826.db2.gz YOOBRHIHFAUVMQ-OXQOHEQNSA-N 1 0 399.491 3.411 20 5 GGBDRO CCc1nc2c(s1)[C@@H]([N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC000248470725 1433805301 /nfs/dbraw/zinc/80/53/01/1433805301.db2.gz VGMINFQVEUJBMY-CJNGLKHVSA-N 1 0 391.493 3.363 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000248469130 1433805400 /nfs/dbraw/zinc/80/54/00/1433805400.db2.gz UNZSRMYIEGTGEX-HUUCEWRRSA-N 1 0 392.839 3.141 20 5 GGBDRO C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000248950562 1433830399 /nfs/dbraw/zinc/83/03/99/1433830399.db2.gz ZUAUONFKPWUGDK-AUSJPIAWSA-N 1 0 385.439 3.474 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000248985110 1433831415 /nfs/dbraw/zinc/83/14/15/1433831415.db2.gz GCZWBWNGDJRYRK-GJYPPUQNSA-N 1 0 392.839 3.108 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000248985112 1433831471 /nfs/dbraw/zinc/83/14/71/1433831471.db2.gz GCZWBWNGDJRYRK-MDZRGWNJSA-N 1 0 392.839 3.108 20 5 GGBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c1 ZINC000249264152 1433839840 /nfs/dbraw/zinc/83/98/40/1433839840.db2.gz IIDXOTTZCRXIRW-FRFSOERESA-N 1 0 398.385 3.097 20 5 GGBDRO COc1cc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000249767224 1433851598 /nfs/dbraw/zinc/85/15/98/1433851598.db2.gz ISQKNUZJSGPMQU-SCRDCRAPSA-N 1 0 390.358 3.202 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000250656266 1433857196 /nfs/dbraw/zinc/85/71/96/1433857196.db2.gz VREBHNUHJDBLKK-TZIWHRDSSA-N 1 0 386.448 3.016 20 5 GGBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@@H]([NH+](C)C)C3)cc2[N+](=O)[O-])C1 ZINC000252352858 1433863003 /nfs/dbraw/zinc/86/30/03/1433863003.db2.gz OFKVABRJHCSBLD-JFIYKMOQSA-N 1 0 388.512 3.243 20 5 GGBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000252656554 1433863852 /nfs/dbraw/zinc/86/38/52/1433863852.db2.gz HUKIQODKVYRJKI-ULQDDVLXSA-N 1 0 388.512 3.149 20 5 GGBDRO COc1cc(C(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000252663296 1433864133 /nfs/dbraw/zinc/86/41/33/1433864133.db2.gz SMHAZXHKKFLZGK-JIPZTSHUSA-N 1 0 397.475 3.490 20 5 GGBDRO C[C@H]1CN(c2ccc(C[NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)cn2)CCO1 ZINC000253354910 1433865695 /nfs/dbraw/zinc/86/56/95/1433865695.db2.gz QWZXJYGEECKSDA-YWZLYKJASA-N 1 0 382.464 3.382 20 5 GGBDRO C[C@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000253548861 1433868906 /nfs/dbraw/zinc/86/89/06/1433868906.db2.gz FNSQABDSTOLDDA-BZUAXINKSA-N 1 0 375.469 3.226 20 5 GGBDRO CCOc1ccnc(N2CCC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000255112615 1433876626 /nfs/dbraw/zinc/87/66/26/1433876626.db2.gz BHOHIBHWNCOYNE-YVMONPNESA-N 1 0 383.452 3.009 20 5 GGBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCC(C)(C)C[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000255944704 1433892281 /nfs/dbraw/zinc/89/22/81/1433892281.db2.gz RTQWHKHFVNWHQH-HZPDHXFCSA-N 1 0 390.528 3.395 20 5 GGBDRO Cc1c(Cl)cc(S(=O)(=O)N(CCC[NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000261574344 1433897051 /nfs/dbraw/zinc/89/70/51/1433897051.db2.gz XFPCWVUICGPBFX-UHFFFAOYSA-N 1 0 397.884 3.096 20 5 GGBDRO C[NH2+][C@@H](C)Cc1noc(-c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 ZINC000261607713 1433897233 /nfs/dbraw/zinc/89/72/33/1433897233.db2.gz AIEUUQBJUFGTEU-STQMWFEESA-N 1 0 382.424 3.363 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000261675968 1433898801 /nfs/dbraw/zinc/89/88/01/1433898801.db2.gz GPKFESBPJGWKEY-KRWDZBQOSA-N 1 0 388.855 3.142 20 5 GGBDRO CCc1ccc([C@H]2C[NH2+]CCN2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000261771531 1433903064 /nfs/dbraw/zinc/90/30/64/1433903064.db2.gz OUFRDNQDOHOBIP-LJQANCHMSA-N 1 0 393.447 3.354 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N3C[C@@H](C[NH3+])C[C@@H]3C)cc2[N+](=O)[O-])n1 ZINC000261868224 1433908218 /nfs/dbraw/zinc/90/82/18/1433908218.db2.gz RZQVPZRUXKKPIC-NWDGAFQWSA-N 1 0 392.506 3.320 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CC[NH2+]C[C@@H]3c3cccc(Cl)c3)n2)cc1 ZINC000261883489 1433909695 /nfs/dbraw/zinc/90/96/95/1433909695.db2.gz UTUGVEUIRUZFOH-QGZVFWFLSA-N 1 0 399.838 3.445 20 5 GGBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261889172 1433910183 /nfs/dbraw/zinc/91/01/83/1433910183.db2.gz ZMGNYODHAKVEMD-ISTRZQFTSA-N 1 0 388.855 3.002 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CC[NH2+]C[C@H]3c3cccc(Cl)c3)n2)c1 ZINC000261919252 1433912655 /nfs/dbraw/zinc/91/26/55/1433912655.db2.gz YLHXIKVIQBSCJL-KRWDZBQOSA-N 1 0 399.838 3.445 20 5 GGBDRO Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000261921316 1433912968 /nfs/dbraw/zinc/91/29/68/1433912968.db2.gz BRNSCYKRDHEBAJ-QGZVFWFLSA-N 1 0 383.477 3.203 20 5 GGBDRO COc1ccc(CN2CC[C@@]3(CC[NH2+]C3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000261944159 1433914682 /nfs/dbraw/zinc/91/46/82/1433914682.db2.gz FCPPPLQTGJTWKE-JOCHJYFZSA-N 1 0 397.475 3.368 20 5 GGBDRO C[C@H]1CN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH3+] ZINC000261960354 1433916444 /nfs/dbraw/zinc/91/64/44/1433916444.db2.gz HGRJGVFXLBUFFR-YWZLYKJASA-N 1 0 377.448 3.227 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000261981553 1433919310 /nfs/dbraw/zinc/91/93/10/1433919310.db2.gz OEAGTGRKCUFPAQ-KGLIPLIRSA-N 1 0 385.420 3.205 20 5 GGBDRO C[NH2+][C@@H]1CCCN(Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000261988069 1433919539 /nfs/dbraw/zinc/91/95/39/1433919539.db2.gz JYWIMKMGUPSTQS-GOSISDBHSA-N 1 0 385.464 3.366 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CC[NH2+]C[C@H]3c3ccncc3)cs2)c1 ZINC000262013624 1433922192 /nfs/dbraw/zinc/92/21/92/1433922192.db2.gz MMQQTCFSTNPGLK-SFHVURJKSA-N 1 0 381.461 3.260 20 5 GGBDRO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262054919 1433925177 /nfs/dbraw/zinc/92/51/77/1433925177.db2.gz NCVAQTVBYQWJOL-UHFFFAOYSA-N 1 0 399.432 3.024 20 5 GGBDRO Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000262072583 1433925764 /nfs/dbraw/zinc/92/57/64/1433925764.db2.gz SEDZWYNCRYFGJO-QGZVFWFLSA-N 1 0 383.477 3.203 20 5 GGBDRO COc1cc(CN2CC[C@@]3(CC[NH2+]C3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000262098578 1433927120 /nfs/dbraw/zinc/92/71/20/1433927120.db2.gz VJOSTVJMJUWXMQ-JOCHJYFZSA-N 1 0 397.475 3.368 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CC[NH2+]C[C@@H]3c3ccccc3Cl)n2)cc1 ZINC000262114307 1433927554 /nfs/dbraw/zinc/92/75/54/1433927554.db2.gz BIHSQFOKRBVGQA-QGZVFWFLSA-N 1 0 399.838 3.445 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)NC2CCC([NH3+])CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000262548129 1433943172 /nfs/dbraw/zinc/94/31/72/1433943172.db2.gz OIIFYTKMAAUIIE-IUDNXUCKSA-N 1 0 383.452 3.163 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)N(C)CC(C)(C)C[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000262572707 1433944300 /nfs/dbraw/zinc/94/43/00/1433944300.db2.gz BZPGVLZVSROQAF-CQSZACIVSA-N 1 0 385.468 3.220 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000262588293 1433945134 /nfs/dbraw/zinc/94/51/34/1433945134.db2.gz PYVJEELOXJYAOL-LXZKKBNFSA-N 1 0 383.452 3.020 20 5 GGBDRO O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262606658 1433945875 /nfs/dbraw/zinc/94/58/75/1433945875.db2.gz BUCIUNBENKMWHZ-MSOLQXFVSA-N 1 0 380.448 3.173 20 5 GGBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)cc2[N+](=O)[O-])C1 ZINC000262654850 1433948168 /nfs/dbraw/zinc/94/81/68/1433948168.db2.gz WUAAFVNJOGHRBS-ONIAQPFYSA-N 1 0 386.496 3.044 20 5 GGBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)cc2[N+](=O)[O-])C1 ZINC000262654843 1433948190 /nfs/dbraw/zinc/94/81/90/1433948190.db2.gz WUAAFVNJOGHRBS-AHCXZYCDSA-N 1 0 386.496 3.044 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N3CC[NH2+][C@H](C)[C@H]3C)cc2[N+](=O)[O-])n1 ZINC000262691799 1433950637 /nfs/dbraw/zinc/95/06/37/1433950637.db2.gz AAANGWBCYJQCSV-VXGBXAGGSA-N 1 0 392.506 3.333 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N[C@H]3CC[NH2+]C[C@H]3C)cc2[N+](=O)[O-])n1 ZINC000262720218 1433952303 /nfs/dbraw/zinc/95/23/03/1433952303.db2.gz FMEGXLRKQVWPIE-MFKMUULPSA-N 1 0 392.506 3.239 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000262939021 1433968759 /nfs/dbraw/zinc/96/87/59/1433968759.db2.gz UIWUUEBEKMOZQP-ZIAGYGMSSA-N 1 0 385.420 3.266 20 5 GGBDRO COc1cc(C[NH2+]CCn2ccnc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000263673109 1434018729 /nfs/dbraw/zinc/01/87/29/1434018729.db2.gz KKYLFFDWRJIUDF-UHFFFAOYSA-N 1 0 396.447 3.477 20 5 GGBDRO C[C@@H]1C[NH+](CC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)C[C@@H](C)O1 ZINC000263774648 1434032206 /nfs/dbraw/zinc/03/22/06/1434032206.db2.gz MRHLLCQPMKCKDZ-ZIAGYGMSSA-N 1 0 395.887 3.210 20 5 GGBDRO COc1ccc(C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000263924726 1434049305 /nfs/dbraw/zinc/04/93/05/1434049305.db2.gz QGSSTAALVKWHRT-UHFFFAOYSA-N 1 0 384.436 3.362 20 5 GGBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CC(=O)N3C)cccc1[N+](=O)[O-] ZINC000263986264 1434057849 /nfs/dbraw/zinc/05/78/49/1434057849.db2.gz ICWZLMMGORSLSL-UONOGXRCSA-N 1 0 396.447 3.100 20 5 GGBDRO C[NH+](C)CCOc1ccc(CCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000264740043 1434150616 /nfs/dbraw/zinc/15/06/16/1434150616.db2.gz YSCBYFYWQRZDKQ-UHFFFAOYSA-N 1 0 391.855 3.161 20 5 GGBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000264843986 1434159068 /nfs/dbraw/zinc/15/90/68/1434159068.db2.gz AZYGEVATBFRKEU-UHFFFAOYSA-N 1 0 382.420 3.406 20 5 GGBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000265211572 1434200465 /nfs/dbraw/zinc/20/04/65/1434200465.db2.gz RNNMGFFOPOQPHQ-HUUCEWRRSA-N 1 0 396.447 3.399 20 5 GGBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(CC[NH+](C)C)CC1 ZINC000265434595 1434234120 /nfs/dbraw/zinc/23/41/20/1434234120.db2.gz NWXYADRZNYGYIE-CYBMUJFWSA-N 1 0 382.892 3.239 20 5 GGBDRO CC(C)n1c(Sc2nc3sccn3c2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000265435132 1434234359 /nfs/dbraw/zinc/23/43/59/1434234359.db2.gz GPUBDPQPMLPOGF-JTQLQIEISA-N 1 0 393.498 3.095 20 5 GGBDRO CC(C)n1c(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000265480562 1434238316 /nfs/dbraw/zinc/23/83/16/1434238316.db2.gz SKZNOGBGGCQKIV-LLVKDONJSA-N 1 0 392.441 3.294 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](O)C3CCOCC3)o2)c(Cl)c1 ZINC000265594167 1434249044 /nfs/dbraw/zinc/24/90/44/1434249044.db2.gz KWTZVGDDSUZTIM-KRWDZBQOSA-N 1 0 380.828 3.385 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000265827833 1434269310 /nfs/dbraw/zinc/26/93/10/1434269310.db2.gz UALVCVCWFLAJQP-QGZVFWFLSA-N 1 0 375.469 3.149 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000265827832 1434269437 /nfs/dbraw/zinc/26/94/37/1434269437.db2.gz UALVCVCWFLAJQP-KRWDZBQOSA-N 1 0 375.469 3.149 20 5 GGBDRO COc1cc(C[NH2+]C[C@H](C)C[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000265840447 1434271196 /nfs/dbraw/zinc/27/11/96/1434271196.db2.gz GGTVDYUXQPWWSH-MNOVXSKESA-N 1 0 380.363 3.041 20 5 GGBDRO COc1cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc([N+](=O)[O-])c1OC ZINC000265894087 1434279254 /nfs/dbraw/zinc/27/92/54/1434279254.db2.gz AKQSWCXUGGBWLI-UHFFFAOYSA-N 1 0 399.447 3.138 20 5 GGBDRO O=C(Nc1ccc(O)cc1)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000265995223 1434294367 /nfs/dbraw/zinc/29/43/67/1434294367.db2.gz LNGJQAQHSXXMDQ-UHFFFAOYSA-N 1 0 385.420 3.030 20 5 GGBDRO CC[NH+]1CCC(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000266146932 1434306753 /nfs/dbraw/zinc/30/67/53/1434306753.db2.gz MNXXQHMONFVZSD-NSHDSACASA-N 1 0 388.390 3.015 20 5 GGBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[NH+]2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000266209270 1434310636 /nfs/dbraw/zinc/31/06/36/1434310636.db2.gz FTZOYLRCXZJVNZ-UHFFFAOYSA-N 1 0 386.408 3.072 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1CCOC1 ZINC000266280045 1434315970 /nfs/dbraw/zinc/31/59/70/1434315970.db2.gz FYNUQMXHSBVLDB-MBNYWOFBSA-N 1 0 390.465 3.060 20 5 GGBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266537610 1434347557 /nfs/dbraw/zinc/34/75/57/1434347557.db2.gz JVSWEMPIHZJMED-IBGZPJMESA-N 1 0 396.491 3.301 20 5 GGBDRO CN(C(=O)NCCc1ccccc1[N+](=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000266720159 1434367584 /nfs/dbraw/zinc/36/75/84/1434367584.db2.gz ASQZDNJPTGTGGG-UHFFFAOYSA-N 1 0 396.491 3.443 20 5 GGBDRO CC(C)OCC[NH+]1CCC(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000267016936 1434399259 /nfs/dbraw/zinc/39/92/59/1434399259.db2.gz UMVRVCJXIIXQFQ-UHFFFAOYSA-N 1 0 391.493 3.429 20 5 GGBDRO Cc1nn(C)c(NCCCOC2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000267199417 1434413834 /nfs/dbraw/zinc/41/38/34/1434413834.db2.gz OFZLLBKKWSSPCC-UHFFFAOYSA-N 1 0 387.484 3.120 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000267298742 1434420582 /nfs/dbraw/zinc/42/05/82/1434420582.db2.gz UCRSLNACCKOYGY-KKSFZXQISA-N 1 0 397.475 3.462 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000267395285 1434428973 /nfs/dbraw/zinc/42/89/73/1434428973.db2.gz IQTQXHFJYUQRBD-SJLPKXTDSA-N 1 0 383.448 3.000 20 5 GGBDRO Cn1cc([C@@H]2CN(Cc3cc(=O)oc4ccc5ccccc5c34)CCO2)cn1 ZINC000267626922 1434451021 /nfs/dbraw/zinc/45/10/21/1434451021.db2.gz RRVCLXJZDXTJHT-FQEVSTJZSA-N 1 0 375.428 3.253 20 5 GGBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000268114480 1434495550 /nfs/dbraw/zinc/49/55/50/1434495550.db2.gz HNUSWVUBDBOXNN-HNNXBMFYSA-N 1 0 380.876 3.408 20 5 GGBDRO CCOC(=O)c1cc(NC2CC[NH+](Cc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000268130034 1434496854 /nfs/dbraw/zinc/49/68/54/1434496854.db2.gz FCKAECQDDXTKQI-UHFFFAOYSA-N 1 0 384.436 3.243 20 5 GGBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000268197606 1434501312 /nfs/dbraw/zinc/50/13/12/1434501312.db2.gz YLRQYDICBSMMDO-CYBMUJFWSA-N 1 0 388.424 3.181 20 5 GGBDRO C[NH+](C)C1CCN(c2ccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)nc2)CC1 ZINC000268675802 1434546301 /nfs/dbraw/zinc/54/63/01/1434546301.db2.gz BSIFDZIHCRVNKL-UHFFFAOYSA-N 1 0 397.479 3.092 20 5 GGBDRO COc1ccc(C[NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)cc1[N+](=O)[O-] ZINC000268807999 1434559669 /nfs/dbraw/zinc/55/96/69/1434559669.db2.gz IIQQZNNTGZWUFZ-LLVKDONJSA-N 1 0 378.816 3.159 20 5 GGBDRO CC(=O)N1CCN(c2ccccc2C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000268807475 1434559717 /nfs/dbraw/zinc/55/97/17/1434559717.db2.gz GEMOUCMEHODRQE-MRXNPFEDSA-N 1 0 382.464 3.114 20 5 GGBDRO CCC[C@@H]([NH2+]Cc1ccc(OCC(N)=O)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000268810694 1434560113 /nfs/dbraw/zinc/56/01/13/1434560113.db2.gz IYMBMBUZMGJCCO-QGZVFWFLSA-N 1 0 387.436 3.099 20 5 GGBDRO CCC[C@H]([NH2+]Cc1ccc(OCC(N)=O)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000268810691 1434560290 /nfs/dbraw/zinc/56/02/90/1434560290.db2.gz IYMBMBUZMGJCCO-KRWDZBQOSA-N 1 0 387.436 3.099 20 5 GGBDRO CC(=O)N1CCN(c2ccccc2C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000268815293 1434560369 /nfs/dbraw/zinc/56/03/69/1434560369.db2.gz IFIRDWPKYQXGAY-QGZVFWFLSA-N 1 0 396.491 3.423 20 5 GGBDRO COc1cccc(OC)c1OC[C@H](O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000268831546 1434562082 /nfs/dbraw/zinc/56/20/82/1434562082.db2.gz KNNXFXRSVAWMPB-GOEBONIOSA-N 1 0 390.436 3.011 20 5 GGBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268894322 1434568394 /nfs/dbraw/zinc/56/83/94/1434568394.db2.gz BGMGHXLOJKKRHS-LBPRGKRZSA-N 1 0 384.404 3.484 20 5 GGBDRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cc1 ZINC000268952181 1434574610 /nfs/dbraw/zinc/57/46/10/1434574610.db2.gz SLMGNZUERLINRQ-CQSZACIVSA-N 1 0 377.466 3.250 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000269003557 1434580527 /nfs/dbraw/zinc/58/05/27/1434580527.db2.gz VKDYCZLCNTZMQR-SJLPKXTDSA-N 1 0 382.464 3.034 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000269133659 1434595829 /nfs/dbraw/zinc/59/58/29/1434595829.db2.gz NYPTYBLMFLECEW-YSVLISHTSA-N 1 0 383.452 3.163 20 5 GGBDRO COCCC1(C[NH2+]Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000269141459 1434596593 /nfs/dbraw/zinc/59/65/93/1434596593.db2.gz MKUMFLNKFBAGNY-UHFFFAOYSA-N 1 0 392.374 3.451 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)cc2[N+](=O)[O-])n1 ZINC000269173458 1434601195 /nfs/dbraw/zinc/60/11/95/1434601195.db2.gz AWESXDAMLCMBDF-GWCFXTLKSA-N 1 0 392.506 3.320 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000269272720 1434616129 /nfs/dbraw/zinc/61/61/29/1434616129.db2.gz NCWJMGIGZDAYNT-FZKQIMNGSA-N 1 0 385.420 3.205 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000269272718 1434616130 /nfs/dbraw/zinc/61/61/30/1434616130.db2.gz NCWJMGIGZDAYNT-ACJLOTCBSA-N 1 0 385.420 3.205 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1nc2ccccc2o1 ZINC000269324834 1434624538 /nfs/dbraw/zinc/62/45/38/1434624538.db2.gz OHHXTQQXZAEJTK-UHFFFAOYSA-N 1 0 384.392 3.205 20 5 GGBDRO CC(C)c1[nH]nc(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)c1[N+](=O)[O-] ZINC000269462521 1434649289 /nfs/dbraw/zinc/64/92/89/1434649289.db2.gz SQHJTPPPSWYIJN-UHFFFAOYSA-N 1 0 395.847 3.287 20 5 GGBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000269461816 1434649491 /nfs/dbraw/zinc/64/94/91/1434649491.db2.gz YEGGXRAOBRRVMK-RHSMWYFYSA-N 1 0 386.452 3.005 20 5 GGBDRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])nc2)C1 ZINC000269473946 1434650801 /nfs/dbraw/zinc/65/08/01/1434650801.db2.gz ZHXCZXRERMVQCW-CQSZACIVSA-N 1 0 389.843 3.036 20 5 GGBDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269505281 1434654509 /nfs/dbraw/zinc/65/45/09/1434654509.db2.gz NUCWPFMPWOSODW-UHFFFAOYSA-N 1 0 393.410 3.178 20 5 GGBDRO O=[N+]([O-])c1cc(F)c(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)c(F)c1 ZINC000269635338 1434665449 /nfs/dbraw/zinc/66/54/49/1434665449.db2.gz MRHIAOFLOJIOQF-SECBINFHSA-N 1 0 381.408 3.418 20 5 GGBDRO O=C(Nc1cccc(F)c1)C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269705650 1434670715 /nfs/dbraw/zinc/67/07/15/1434670715.db2.gz ZSHWZWIJOGICCP-IBGZPJMESA-N 1 0 387.411 3.118 20 5 GGBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000270045762 1434696267 /nfs/dbraw/zinc/69/62/67/1434696267.db2.gz TUZPHBWCRMGDAT-XOPPTJLZSA-N 1 0 379.844 3.122 20 5 GGBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000270074812 1434699547 /nfs/dbraw/zinc/69/95/47/1434699547.db2.gz HLFBEJYSAMUUBT-OAHLLOKOSA-N 1 0 395.887 3.207 20 5 GGBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)C2)CC1 ZINC000270097096 1434702878 /nfs/dbraw/zinc/70/28/78/1434702878.db2.gz IHMLYFJSTUAYFX-CYBMUJFWSA-N 1 0 398.410 3.392 20 5 GGBDRO CC(C)N1CC[NH+](C2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)CC1 ZINC000270427165 1434732192 /nfs/dbraw/zinc/73/21/92/1434732192.db2.gz AOAHIVDHUQGIKG-UHFFFAOYSA-N 1 0 383.496 3.138 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000270775940 1434773836 /nfs/dbraw/zinc/77/38/36/1434773836.db2.gz NCNFXMPOXMCBJH-MRXNPFEDSA-N 1 0 393.509 3.034 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000270796790 1434776029 /nfs/dbraw/zinc/77/60/29/1434776029.db2.gz LFTBKTDRNOMHGH-OAHLLOKOSA-N 1 0 395.525 3.280 20 5 GGBDRO CC[NH+](CC)CCCCNC(=O)c1cc([N+](=O)[O-])ccc1SCCOC ZINC000270967180 1434791775 /nfs/dbraw/zinc/79/17/75/1434791775.db2.gz HNIBJKRBTHQFIZ-UHFFFAOYSA-N 1 0 383.514 3.185 20 5 GGBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)nc2)cc1[N+](=O)[O-] ZINC000271024240 1434796832 /nfs/dbraw/zinc/79/68/32/1434796832.db2.gz AZJNOSXQLPPTKZ-HNNXBMFYSA-N 1 0 386.452 3.076 20 5 GGBDRO CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000271112457 1434802675 /nfs/dbraw/zinc/80/26/75/1434802675.db2.gz ADPNTPWFGRHUME-SFHVURJKSA-N 1 0 392.452 3.089 20 5 GGBDRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000271289462 1434813308 /nfs/dbraw/zinc/81/33/08/1434813308.db2.gz PEGVVWGIUXEHNT-UHFFFAOYSA-N 1 0 397.431 3.257 20 5 GGBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC(=O)OC)c2)cc1[N+](=O)[O-] ZINC000271418446 1434823310 /nfs/dbraw/zinc/82/33/10/1434823310.db2.gz BECNNIRTACOGRL-CQSZACIVSA-N 1 0 388.420 3.396 20 5 GGBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000271473263 1434827771 /nfs/dbraw/zinc/82/77/71/1434827771.db2.gz IQAIFBXENREHLH-LBPRGKRZSA-N 1 0 384.404 3.484 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000271636868 1434840943 /nfs/dbraw/zinc/84/09/43/1434840943.db2.gz ADUIUZWYAGMJAN-UONOGXRCSA-N 1 0 398.419 3.229 20 5 GGBDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000271636866 1434840971 /nfs/dbraw/zinc/84/09/71/1434840971.db2.gz ADUIUZWYAGMJAN-KBPBESRZSA-N 1 0 398.419 3.229 20 5 GGBDRO COc1cc([C@@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])cc(OC)c1OC ZINC000271750479 1434847950 /nfs/dbraw/zinc/84/79/50/1434847950.db2.gz KOZGJTRIOGIYRR-CYBMUJFWSA-N 1 0 376.409 3.350 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOC2=O)cc1 ZINC000271759639 1434848359 /nfs/dbraw/zinc/84/83/59/1434848359.db2.gz CJQDROHAQHOBBK-KGLIPLIRSA-N 1 0 398.419 3.229 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc([S@](C)=O)cc1 ZINC000271784448 1434850357 /nfs/dbraw/zinc/85/03/57/1434850357.db2.gz HLWAXIUZZWAXKJ-ZCDIYMNCSA-N 1 0 375.450 3.010 20 5 GGBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(N2CCOC2=O)cc1 ZINC000271799908 1434851560 /nfs/dbraw/zinc/85/15/60/1434851560.db2.gz MCUORTUMKAHUGD-AWEZNQCLSA-N 1 0 398.419 3.231 20 5 GGBDRO C[C@H]([NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000271821351 1434852629 /nfs/dbraw/zinc/85/26/29/1434852629.db2.gz PEAWVZYPBMLFPA-MGYFDLHMSA-N 1 0 375.450 3.010 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(N2CCOC2=O)cc1 ZINC000271834073 1434853603 /nfs/dbraw/zinc/85/36/03/1434853603.db2.gz SKKAEGVEAPWDBO-KGLIPLIRSA-N 1 0 398.419 3.229 20 5 GGBDRO Cc1c(C[NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cccc1[N+](=O)[O-] ZINC000271846143 1434854504 /nfs/dbraw/zinc/85/45/04/1434854504.db2.gz QPTJEAGVZTZKOC-CQSZACIVSA-N 1 0 377.466 3.004 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)NCC2=CC[N@H+](C)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000271999907 1434864817 /nfs/dbraw/zinc/86/48/17/1434864817.db2.gz RHNPVOXTESZQLT-OAHLLOKOSA-N 1 0 395.463 3.155 20 5 GGBDRO CCC[C@@H]([NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000272000563 1434864870 /nfs/dbraw/zinc/86/48/70/1434864870.db2.gz AHRBNAUHWQGPHF-GDBMZVCRSA-N 1 0 386.374 3.209 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)NCC2=CC[N@H+](C)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000271999904 1434864879 /nfs/dbraw/zinc/86/48/79/1434864879.db2.gz RHNPVOXTESZQLT-HNNXBMFYSA-N 1 0 395.463 3.155 20 5 GGBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C2)CC1 ZINC000272318787 1434886953 /nfs/dbraw/zinc/88/69/53/1434886953.db2.gz JZOKBJPEPNSWMI-CYBMUJFWSA-N 1 0 383.395 3.000 20 5 GGBDRO COc1cc(C[NH2+]C[C@H](O)c2ccsc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272381376 1434892124 /nfs/dbraw/zinc/89/21/24/1434892124.db2.gz HRTWSHIYLLIICT-ZDUSSCGKSA-N 1 0 388.392 3.132 20 5 GGBDRO Cn1ccnc1[C@H](NC[C@@H](c1cccc(F)c1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000272483134 1434899579 /nfs/dbraw/zinc/89/95/79/1434899579.db2.gz CIJRMBLQPWWVKH-VQTJNVASSA-N 1 0 397.454 3.449 20 5 GGBDRO CC(C)C[N@@H+]1CCC[C@@H](CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272494708 1434900328 /nfs/dbraw/zinc/90/03/28/1434900328.db2.gz FOKRHMSECGXPNW-PXNSSMCTSA-N 1 0 385.512 3.375 20 5 GGBDRO COc1cc(C[NH2+]CC2(CCO)CCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272504516 1434901481 /nfs/dbraw/zinc/90/14/81/1434901481.db2.gz WBTBENYEMMRWMV-UHFFFAOYSA-N 1 0 388.411 3.280 20 5 GGBDRO COc1cc(C[NH2+]CCCn2nc(C)cc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272509628 1434902232 /nfs/dbraw/zinc/90/22/32/1434902232.db2.gz WVOOCADDOLPRDE-UHFFFAOYSA-N 1 0 398.410 3.241 20 5 GGBDRO COc1cc(C[NH2+]CC(C)(C)C[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000272527146 1434904396 /nfs/dbraw/zinc/90/43/96/1434904396.db2.gz YZMWTMRSETVLIE-NSHDSACASA-N 1 0 376.400 3.134 20 5 GGBDRO Cn1ccnc1[C@H](NC[C@H](c1cccs1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000272587014 1434911170 /nfs/dbraw/zinc/91/11/70/1434911170.db2.gz ZLASKEBDHYXQAQ-SJLPKXTDSA-N 1 0 385.493 3.372 20 5 GGBDRO C[C@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272752972 1434928173 /nfs/dbraw/zinc/92/81/73/1434928173.db2.gz OKUDXRLTWISFEO-UONOGXRCSA-N 1 0 381.423 3.456 20 5 GGBDRO C[C@@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272752971 1434928212 /nfs/dbraw/zinc/92/82/12/1434928212.db2.gz OKUDXRLTWISFEO-KGLIPLIRSA-N 1 0 381.423 3.456 20 5 GGBDRO COc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000272782516 1434930688 /nfs/dbraw/zinc/93/06/88/1434930688.db2.gz FDIFTNLISTVHLO-UONOGXRCSA-N 1 0 376.457 3.378 20 5 GGBDRO COc1ccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000272782522 1434930763 /nfs/dbraw/zinc/93/07/63/1434930763.db2.gz FDIFTNLISTVHLO-ZIAGYGMSSA-N 1 0 376.457 3.378 20 5 GGBDRO Cc1cc(N2CCC([C@@H](O)c3nccn3C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272792357 1434931504 /nfs/dbraw/zinc/93/15/04/1434931504.db2.gz CJEFEGCAGKKREY-LJQANCHMSA-N 1 0 381.436 3.135 20 5 GGBDRO COc1ccc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC000272794220 1434931529 /nfs/dbraw/zinc/93/15/29/1434931529.db2.gz GTDWCIMPGPJAPZ-UHFFFAOYSA-N 1 0 385.424 3.037 20 5 GGBDRO Cc1cc(N2CCC[C@H]([C@@H](O)c3nccn3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272849912 1434935906 /nfs/dbraw/zinc/93/59/06/1434935906.db2.gz ONHDIRXKSIAVLJ-IFXJQAMLSA-N 1 0 381.436 3.135 20 5 GGBDRO COc1ccc(OCC[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c([N+](=O)[O-])c1 ZINC000272872614 1434937863 /nfs/dbraw/zinc/93/78/63/1434937863.db2.gz AWZUTMYICRXKDT-WHDAMIPWSA-N 1 0 378.450 3.070 20 5 GGBDRO Cc1cc(N2CCC[C@H](c3nnc4n3CCC4)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272882497 1434938415 /nfs/dbraw/zinc/93/84/15/1434938415.db2.gz VTFBIRITBLITOT-AWEZNQCLSA-N 1 0 378.436 3.373 20 5 GGBDRO O=C(NC[C@@H]1CC[NH2+]C1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000272975323 1434945536 /nfs/dbraw/zinc/94/55/36/1434945536.db2.gz CFMDZHPRIAVRCV-CYBMUJFWSA-N 1 0 388.855 3.200 20 5 GGBDRO COc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1OC ZINC000273123424 1434964140 /nfs/dbraw/zinc/96/41/40/1434964140.db2.gz HSLJOXFFXMQTSH-HUUCEWRRSA-N 1 0 390.436 3.011 20 5 GGBDRO O=C(CCN1CCC([NH+]2CCCCC2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000273166366 1434968312 /nfs/dbraw/zinc/96/83/12/1434968312.db2.gz CHTMHQKYXFARNR-UHFFFAOYSA-N 1 0 378.448 3.013 20 5 GGBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2ccncc21 ZINC000273269834 1434976940 /nfs/dbraw/zinc/97/69/40/1434976940.db2.gz WUXITHXWEZGOST-QGZVFWFLSA-N 1 0 378.432 3.322 20 5 GGBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c2ccncc21 ZINC000273269830 1434976955 /nfs/dbraw/zinc/97/69/55/1434976955.db2.gz WUXITHXWEZGOST-KRWDZBQOSA-N 1 0 378.432 3.322 20 5 GGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)cc1[N+](=O)[O-] ZINC000273324012 1434981003 /nfs/dbraw/zinc/98/10/03/1434981003.db2.gz ZVEMUQPXIATMFT-MAUKXSAKSA-N 1 0 398.463 3.230 20 5 GGBDRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)CC2)C[C@H](C)O1 ZINC000273371330 1434984039 /nfs/dbraw/zinc/98/40/39/1434984039.db2.gz GUYLYRXFMYCKIZ-OKILXGFUSA-N 1 0 394.447 3.087 20 5 GGBDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273383547 1434985173 /nfs/dbraw/zinc/98/51/73/1434985173.db2.gz IRFRWIJCZXGTJP-UHFFFAOYSA-N 1 0 376.388 3.035 20 5 GGBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273446811 1434989452 /nfs/dbraw/zinc/98/94/52/1434989452.db2.gz KHUMSJIEUQDGDF-ZDUSSCGKSA-N 1 0 387.415 3.476 20 5 GGBDRO COc1cc(C[NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1O ZINC000273510436 1434993488 /nfs/dbraw/zinc/99/34/88/1434993488.db2.gz QRHIMWYHOQMTJK-CRAIPNDOSA-N 1 0 376.384 3.458 20 5 GGBDRO COCCC(C)(C)C[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000273737954 1435009494 /nfs/dbraw/zinc/00/94/94/1435009494.db2.gz LJGXYMHVNRUZHR-UHFFFAOYSA-N 1 0 376.400 3.400 20 5 GGBDRO Cc1c(-c2nc(-c3ccc(N4CCC[N@@H+](C)CC4)nc3)no2)cccc1[N+](=O)[O-] ZINC000273751783 1435010885 /nfs/dbraw/zinc/01/08/85/1435010885.db2.gz COCYIZLXTALFIK-UHFFFAOYSA-N 1 0 394.435 3.157 20 5 GGBDRO CC(C)(C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000273826377 1435018751 /nfs/dbraw/zinc/01/87/51/1435018751.db2.gz DFTNFWMKCZJREY-OAHLLOKOSA-N 1 0 377.460 3.488 20 5 GGBDRO CC(C)(C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000273826374 1435018794 /nfs/dbraw/zinc/01/87/94/1435018794.db2.gz DFTNFWMKCZJREY-HNNXBMFYSA-N 1 0 377.460 3.488 20 5 GGBDRO C[NH+](C)CCOc1ccccc1-c1noc(COc2ccccc2[N+](=O)[O-])n1 ZINC000273894376 1435026077 /nfs/dbraw/zinc/02/60/77/1435026077.db2.gz OTZKGNVNKVYEHD-UHFFFAOYSA-N 1 0 384.392 3.164 20 5 GGBDRO CC(C)(C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000273895103 1435026263 /nfs/dbraw/zinc/02/62/63/1435026263.db2.gz WKZDJHIJXLVFQY-OAHLLOKOSA-N 1 0 377.460 3.346 20 5 GGBDRO CC(C)c1[nH]nc(-c2nc(-c3ccccc3OCC[NH+](C)C)no2)c1[N+](=O)[O-] ZINC000274014443 1435037184 /nfs/dbraw/zinc/03/71/84/1435037184.db2.gz ZMLVOPQFZDVOLS-UHFFFAOYSA-N 1 0 386.412 3.099 20 5 GGBDRO O=[N+]([O-])c1ccc(Cc2noc([C@H]3CCC[N@H+](Cc4ccccc4)C3)n2)nc1 ZINC000274104543 1435044252 /nfs/dbraw/zinc/04/42/52/1435044252.db2.gz YVKQZSCJTQOOIB-INIZCTEOSA-N 1 0 379.420 3.343 20 5 GGBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000274424468 1435070164 /nfs/dbraw/zinc/07/01/64/1435070164.db2.gz DXDGSEWMFFAIJO-KRWDZBQOSA-N 1 0 377.488 3.144 20 5 GGBDRO COCCOCCOCCC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000274449462 1435071852 /nfs/dbraw/zinc/07/18/52/1435071852.db2.gz VXIXETBZEYEQKY-UHFFFAOYSA-N 1 0 378.425 3.014 20 5 GGBDRO COc1cc(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc([N+](=O)[O-])c1OC ZINC000274592610 1435079929 /nfs/dbraw/zinc/07/99/29/1435079929.db2.gz FQNIMDCOLSCGLV-ACJLOTCBSA-N 1 0 387.436 3.033 20 5 GGBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000275488846 1435142917 /nfs/dbraw/zinc/14/29/17/1435142917.db2.gz KEPDPZLFGCAXHG-GFCCVEGCSA-N 1 0 385.414 3.396 20 5 GGBDRO C[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccc([S@@](C)=O)cc1 ZINC000275628266 1435154233 /nfs/dbraw/zinc/15/42/33/1435154233.db2.gz PRLNDIXXSIWLOV-BIXPNRAVSA-N 1 0 393.440 3.151 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000275805776 1435171198 /nfs/dbraw/zinc/17/11/98/1435171198.db2.gz UIRKEKDXSUUUEZ-CWRNSKLLSA-N 1 0 383.452 3.163 20 5 GGBDRO COc1ccc(C[NH2+][C@@H](CCn2cncn2)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000275847320 1435174515 /nfs/dbraw/zinc/17/45/15/1435174515.db2.gz KJZIFONVBVBMEP-SFHVURJKSA-N 1 0 381.436 3.425 20 5 GGBDRO CS[C@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@@H]1[NH+](C)C ZINC000275910263 1435179182 /nfs/dbraw/zinc/17/91/82/1435179182.db2.gz DJNQHIHMZONKTR-OALUTQOASA-N 1 0 381.501 3.211 20 5 GGBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000276326830 1435204901 /nfs/dbraw/zinc/20/49/01/1435204901.db2.gz QQOJLIYNQCKZPW-ZIAGYGMSSA-N 1 0 381.498 3.063 20 5 GGBDRO CCOC(=O)c1csc(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000276479194 1435213699 /nfs/dbraw/zinc/21/36/99/1435213699.db2.gz FPYGPFUKEWLPHI-HNNXBMFYSA-N 1 0 389.477 3.381 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000276722291 1435227754 /nfs/dbraw/zinc/22/77/54/1435227754.db2.gz AUCXNADIYVXTTP-UHFFFAOYSA-N 1 0 395.525 3.185 20 5 GGBDRO CCOc1cc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000276928279 1435243979 /nfs/dbraw/zinc/24/39/79/1435243979.db2.gz QKRBEUIGYBBFCG-UHFFFAOYSA-N 1 0 375.469 3.218 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C3CCN(c4cccnn4)CC3)o2)c1 ZINC000277057448 1435257485 /nfs/dbraw/zinc/25/74/85/1435257485.db2.gz RBNWWSXDCMXXNF-UHFFFAOYSA-N 1 0 379.420 3.403 20 5 GGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CCN(c3cccnn3)CC2)o1 ZINC000277352797 1435297388 /nfs/dbraw/zinc/29/73/88/1435297388.db2.gz ACJOMYMNBSYLAS-UHFFFAOYSA-N 1 0 379.420 3.403 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277417759 1435303337 /nfs/dbraw/zinc/30/33/37/1435303337.db2.gz CQKXUFVQDJZEMC-MRXNPFEDSA-N 1 0 393.509 3.080 20 5 GGBDRO Cc1noc(C[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000277432743 1435304410 /nfs/dbraw/zinc/30/44/10/1435304410.db2.gz QDQFASZJCRIRMR-UGSOOPFHSA-N 1 0 395.419 3.187 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000277559987 1435312979 /nfs/dbraw/zinc/31/29/79/1435312979.db2.gz JWCJPLAONBIVKM-MJGOQNOKSA-N 1 0 381.432 3.360 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@@H]([C@H](O)C(F)(F)F)C3)o2)c1 ZINC000277624816 1435317276 /nfs/dbraw/zinc/31/72/76/1435317276.db2.gz ASCRXTCETRCOAP-DYVFJYSZSA-N 1 0 399.369 3.428 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C3CCN(c4cccnn4)CC3)cs2)c1 ZINC000277720215 1435324376 /nfs/dbraw/zinc/32/43/76/1435324376.db2.gz SWSQAWNWMOJBIZ-UHFFFAOYSA-N 1 0 396.476 3.267 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1SC ZINC000277977353 1435347409 /nfs/dbraw/zinc/34/74/09/1435347409.db2.gz QLLGMTPNPGGSAP-CYBMUJFWSA-N 1 0 379.482 3.072 20 5 GGBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000278284887 1435376293 /nfs/dbraw/zinc/37/62/93/1435376293.db2.gz FVHRPJVFKGEGSD-UHFFFAOYSA-N 1 0 388.390 3.090 20 5 GGBDRO Cc1cnccc1OC1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000278667833 1435412254 /nfs/dbraw/zinc/41/22/54/1435412254.db2.gz OLIHMWLPDAYPCD-UHFFFAOYSA-N 1 0 384.436 3.094 20 5 GGBDRO CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000278725397 1435417651 /nfs/dbraw/zinc/41/76/51/1435417651.db2.gz MJZGXGQTDCZLFP-GOSISDBHSA-N 1 0 395.525 3.155 20 5 GGBDRO CCn1nccc1C1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000278952156 1435444520 /nfs/dbraw/zinc/44/45/20/1435444520.db2.gz VWESUVLYARMEBE-UHFFFAOYSA-N 1 0 385.468 3.328 20 5 GGBDRO CC1(C)C[C@H]([NH2+]Cc2ccc(N3CCOCC3)nc2)c2cc([N+](=O)[O-])ccc21 ZINC000278997748 1435450513 /nfs/dbraw/zinc/45/05/13/1435450513.db2.gz FLTLCPYNMYFLQX-IBGZPJMESA-N 1 0 382.464 3.339 20 5 GGBDRO CNS(=O)(=O)c1cccc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000279083241 1435458581 /nfs/dbraw/zinc/45/85/81/1435458581.db2.gz MWCOREVYSVSRDB-SFHVURJKSA-N 1 0 389.477 3.015 20 5 GGBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000279121677 1435462346 /nfs/dbraw/zinc/46/23/46/1435462346.db2.gz ANRLHGQQEUGSGC-UHFFFAOYSA-N 1 0 378.448 3.044 20 5 GGBDRO CC1(C)C[C@H]([NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000279139803 1435464397 /nfs/dbraw/zinc/46/43/97/1435464397.db2.gz RUJHOWZZPBYYQR-PMACEKPBSA-N 1 0 394.475 3.493 20 5 GGBDRO CCn1nccc1C1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000279155631 1435465895 /nfs/dbraw/zinc/46/58/95/1435465895.db2.gz ZENRSSKESBABGN-UHFFFAOYSA-N 1 0 389.431 3.159 20 5 GGBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000279291818 1435482498 /nfs/dbraw/zinc/48/24/98/1435482498.db2.gz YHHDFDFTZHTPTB-GFCCVEGCSA-N 1 0 392.456 3.020 20 5 GGBDRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000279380457 1435493061 /nfs/dbraw/zinc/49/30/61/1435493061.db2.gz HWNHNFZDUPLVOB-UHFFFAOYSA-N 1 0 387.415 3.075 20 5 GGBDRO COc1cc(C[N@@H+]2CCC[C@@](C)(O)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000279578835 1435515296 /nfs/dbraw/zinc/51/52/96/1435515296.db2.gz BGOVXJXMFDWLPS-MRXNPFEDSA-N 1 0 392.374 3.281 20 5 GGBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000280013821 1435576653 /nfs/dbraw/zinc/57/66/53/1435576653.db2.gz JZAIWHXHDLJBFD-UHFFFAOYSA-N 1 0 384.436 3.035 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](CO)[C@@H]3CCOC3)o2)c(Cl)c1 ZINC000280340837 1435639674 /nfs/dbraw/zinc/63/96/74/1435639674.db2.gz RFQIYKOPQFCHSM-CHWSQXEVSA-N 1 0 380.828 3.243 20 5 GGBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280793396 1435721398 /nfs/dbraw/zinc/72/13/98/1435721398.db2.gz HRXGVKLPYDMYLI-MRXNPFEDSA-N 1 0 397.884 3.397 20 5 GGBDRO COc1ccc([C@H]([NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C2CC2)cc1 ZINC000280906417 1435740074 /nfs/dbraw/zinc/74/00/74/1435740074.db2.gz QCTZKAKNNSVKRQ-HXUWFJFHSA-N 1 0 399.403 3.012 20 5 GGBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000281251981 1435800798 /nfs/dbraw/zinc/80/07/98/1435800798.db2.gz OIJUKLWVHGZXSE-UHFFFAOYSA-N 1 0 375.469 3.378 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000281475575 1435810483 /nfs/dbraw/zinc/81/04/83/1435810483.db2.gz GMMBGXDVIIJFPK-KRWDZBQOSA-N 1 0 375.469 3.007 20 5 GGBDRO [NH3+]CC[C@@H]1CCCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000281620955 1435816014 /nfs/dbraw/zinc/81/60/14/1435816014.db2.gz CDQYOFJNJGJFGT-LBPRGKRZSA-N 1 0 388.390 3.003 20 5 GGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CCN(c2nccs2)CC1 ZINC000281711906 1435819199 /nfs/dbraw/zinc/81/91/99/1435819199.db2.gz UBWJOBLVDDQTFR-ZDUSSCGKSA-N 1 0 389.481 3.027 20 5 GGBDRO [NH3+][C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C[C@H]1c1ccccc1 ZINC000281711969 1435819271 /nfs/dbraw/zinc/81/92/71/1435819271.db2.gz DCALVCDVCNFCOV-VQTJNVASSA-N 1 0 394.475 3.152 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)N2CCC[C@@H](CC[NH3+])C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000281873669 1435825016 /nfs/dbraw/zinc/82/50/16/1435825016.db2.gz FMGSRYABRVIYQE-CVEARBPZSA-N 1 0 397.479 3.364 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)N2CCC[C@H](CC[NH3+])C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000281873679 1435825029 /nfs/dbraw/zinc/82/50/29/1435825029.db2.gz FMGSRYABRVIYQE-HZPDHXFCSA-N 1 0 397.479 3.364 20 5 GGBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000282412466 1435846287 /nfs/dbraw/zinc/84/62/87/1435846287.db2.gz LEUFQZIQIYDZQY-KRWDZBQOSA-N 1 0 376.482 3.143 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N2CCc3sccc3C2)c1 ZINC000282632072 1435854361 /nfs/dbraw/zinc/85/43/61/1435854361.db2.gz KALMRDYGBJTRAP-CYBMUJFWSA-N 1 0 389.477 3.232 20 5 GGBDRO O=[N+]([O-])c1cccnc1Sc1nnc(CN2CCCC2)n1-c1ccccc1 ZINC000283628573 1435898517 /nfs/dbraw/zinc/89/85/17/1435898517.db2.gz VQEJKRGRVVPIDO-UHFFFAOYSA-N 1 0 382.449 3.318 20 5 GGBDRO C[C@@H]1CN(C[C@H]2CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@H](C)O1 ZINC000284117134 1435993197 /nfs/dbraw/zinc/99/31/97/1435993197.db2.gz UAUYQDUACNSOAO-HZSPNIEDSA-N 1 0 396.875 3.354 20 5 GGBDRO C[C@@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284151347 1435999349 /nfs/dbraw/zinc/99/93/49/1435999349.db2.gz PHNFMEKTBYDVRB-BFUOFWGJSA-N 1 0 384.436 3.145 20 5 GGBDRO C[C@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284151357 1435999559 /nfs/dbraw/zinc/99/95/59/1435999559.db2.gz PHNFMEKTBYDVRB-ORAYPTAESA-N 1 0 384.436 3.145 20 5 GGBDRO C[C@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284151352 1435999763 /nfs/dbraw/zinc/99/97/63/1435999763.db2.gz PHNFMEKTBYDVRB-DJJJIMSYSA-N 1 0 384.436 3.145 20 5 GGBDRO C[C@@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284151363 1435999866 /nfs/dbraw/zinc/99/98/66/1435999866.db2.gz PHNFMEKTBYDVRB-YJYMSZOUSA-N 1 0 384.436 3.145 20 5 GGBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000284385655 1436017704 /nfs/dbraw/zinc/01/77/04/1436017704.db2.gz MHXPMNFRCIUFEE-UHFFFAOYSA-N 1 0 386.427 3.053 20 5 GGBDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284389082 1436018056 /nfs/dbraw/zinc/01/80/56/1436018056.db2.gz MNQHBBYZTJXCOP-UHFFFAOYSA-N 1 0 394.369 3.053 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC000284389373 1436018101 /nfs/dbraw/zinc/01/81/01/1436018101.db2.gz MQAGPBXPDPAKLW-HNNXBMFYSA-N 1 0 398.463 3.344 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284569177 1436031052 /nfs/dbraw/zinc/03/10/52/1436031052.db2.gz QXKGTRONLURZIM-UHFFFAOYSA-N 1 0 399.447 3.006 20 5 GGBDRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3ccc(F)cc3[N+](=O)[O-])cc2)CC1 ZINC000284591078 1436032731 /nfs/dbraw/zinc/03/27/31/1436032731.db2.gz SGBMNIMHKMMFNG-UHFFFAOYSA-N 1 0 387.411 3.137 20 5 GGBDRO C[NH+]1CCC(Oc2ccc(CNC(=O)CCc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000284611760 1436034530 /nfs/dbraw/zinc/03/45/30/1436034530.db2.gz UCKASJIAXARFTB-UHFFFAOYSA-N 1 0 397.475 3.317 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@H]4[NH2+]CC[C@@H]43)c(Cl)nn2)c1 ZINC001164411155 718877208 /nfs/dbraw/zinc/87/72/08/718877208.db2.gz NEVYRWBTYIRDTA-HIFRSBDPSA-N 1 0 395.797 3.191 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[NH2+]CC[C@H]43)c(Cl)nn2)c1 ZINC001164411154 718877324 /nfs/dbraw/zinc/87/73/24/718877324.db2.gz NEVYRWBTYIRDTA-DZGCQCFKSA-N 1 0 395.797 3.191 20 5 GGBDRO O=[N+]([O-])c1cc(C(F)(F)N2C[C@@H]3[NH2+]Cc4ccccc4[C@@H]3C2)cnc1Cl ZINC001164425478 718939657 /nfs/dbraw/zinc/93/96/57/718939657.db2.gz VOQNHRJQKYEMDZ-KBPBESRZSA-N 1 0 380.782 3.264 20 5 GGBDRO O=[N+]([O-])c1cc(C(F)(F)N2C[C@H]3[NH2+]Cc4ccccc4[C@H]3C2)cnc1Cl ZINC001164425484 718939932 /nfs/dbraw/zinc/93/99/32/718939932.db2.gz VOQNHRJQKYEMDZ-ZIAGYGMSSA-N 1 0 380.782 3.264 20 5 GGBDRO O=[N+]([O-])c1ccc(C(F)(F)N2C[C@@H]3[NH2+]Cc4ccccc4[C@H]3C2)nc1Cl ZINC001164423651 718940918 /nfs/dbraw/zinc/94/09/18/718940918.db2.gz JCUVPGXOTKTIPY-OLZOCXBDSA-N 1 0 380.782 3.264 20 5 GGBDRO O=[N+]([O-])c1ccc(C(F)(F)N2C[C@@H]3[NH2+]Cc4ccccc4[C@@H]3C2)nc1Cl ZINC001164423655 718940972 /nfs/dbraw/zinc/94/09/72/718940972.db2.gz JCUVPGXOTKTIPY-STQMWFEESA-N 1 0 380.782 3.264 20 5 GGBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2C[C@H]3[NH2+]Cc4ccccc4[C@H]3C2)c1 ZINC001164425566 718941818 /nfs/dbraw/zinc/94/18/18/718941818.db2.gz WCPINXAOBKHNRX-UKRRQHHQSA-N 1 0 380.782 3.264 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CCC[C@H]4[NH2+]C[C@@H]43)c(Cl)nn2)cc1 ZINC001164448872 719002553 /nfs/dbraw/zinc/00/25/53/719002553.db2.gz JPSJPWBTRALYMB-HIFRSBDPSA-N 1 0 395.797 3.191 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCC[C@@H]4[NH2+]C[C@H]43)c(Cl)nn2)c1 ZINC001164450605 719002630 /nfs/dbraw/zinc/00/26/30/719002630.db2.gz YYICGTGYCIEVRM-DZGCQCFKSA-N 1 0 395.797 3.191 20 5 GGBDRO CC(C)N(C)Cc1nn(-c2ccc3ccc4cccnc4c3n2)c2c1CC[NH2+]C2 ZINC001164685114 719613215 /nfs/dbraw/zinc/61/32/15/719613215.db2.gz RCDQQVCKMHBYKJ-UHFFFAOYSA-N 1 0 386.503 3.455 20 5 GGBDRO Cc1cc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)nc2ccc([N+](=O)[O-])cc12 ZINC001164682772 719613444 /nfs/dbraw/zinc/61/34/44/719613444.db2.gz FWSKNPKBDIKBRD-UHFFFAOYSA-N 1 0 394.479 3.123 20 5 GGBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)c(C)cc1[N+](=O)[O-])C2 ZINC001164809197 720098333 /nfs/dbraw/zinc/09/83/33/720098333.db2.gz IYBMYJQJFIXSRK-BEFAXECRSA-N 1 0 394.903 3.136 20 5 GGBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc([N+](=O)[O-])c3ccccc31)C2 ZINC001164812512 720106237 /nfs/dbraw/zinc/10/62/37/720106237.db2.gz OYDIIUBWNXPGFX-VGSWGCGISA-N 1 0 396.491 3.328 20 5 GGBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3ccccc3cc1[N+](=O)[O-])C2 ZINC001164815846 720142123 /nfs/dbraw/zinc/14/21/23/720142123.db2.gz WKRXWTOFAQXKEB-GCJKJVERSA-N 1 0 396.491 3.328 20 5 GGBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc3cc([N+](=O)[O-])ccc31)C2 ZINC001164814161 720199001 /nfs/dbraw/zinc/19/90/01/720199001.db2.gz TYIATTGCPQCMGO-AVRDEDQJSA-N 1 0 396.491 3.328 20 5 GGBDRO O=[N+]([O-])c1cccc2ccc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc21 ZINC001164727767 720375415 /nfs/dbraw/zinc/37/54/15/720375415.db2.gz RJHLVMZPYVMZOB-QZTJIDSGSA-N 1 0 375.432 3.391 20 5 GGBDRO O=[N+]([O-])c1cccc2nc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)ccc21 ZINC001164729760 720377086 /nfs/dbraw/zinc/37/70/86/720377086.db2.gz WBTDAWBZKYCELH-WOJBJXKFSA-N 1 0 375.432 3.391 20 5 GGBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c1 ZINC001164725698 720424267 /nfs/dbraw/zinc/42/42/67/720424267.db2.gz AQHYXTOWNKXUAS-WOJBJXKFSA-N 1 0 375.432 3.391 20 5 GGBDRO CC(C)Oc1nc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)ccc1[N+](=O)[O-] ZINC001164729393 720453970 /nfs/dbraw/zinc/45/39/70/720453970.db2.gz HIVLYFZJJWIOTK-SJORKVTESA-N 1 0 383.452 3.025 20 5 GGBDRO CC(C)Oc1nc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)ccc1[N+](=O)[O-] ZINC001164729391 720454803 /nfs/dbraw/zinc/45/48/03/720454803.db2.gz HIVLYFZJJWIOTK-IRXDYDNUSA-N 1 0 383.452 3.025 20 5 GGBDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC001164734909 720533030 /nfs/dbraw/zinc/53/30/30/720533030.db2.gz LFELSUVLQDBGIR-MRXNPFEDSA-N 1 0 392.463 3.051 20 5 GGBDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc([N+](=O)[O-])ccn1)CC2 ZINC001164840531 720659631 /nfs/dbraw/zinc/65/96/31/720659631.db2.gz NFDHSBJIWLXLHU-LJQANCHMSA-N 1 0 382.464 3.250 20 5 GGBDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cccc([N+](=O)[O-])n1)CC2 ZINC001164837578 720672821 /nfs/dbraw/zinc/67/28/21/720672821.db2.gz DBZJVRPVEYUCCP-SFHVURJKSA-N 1 0 382.464 3.250 20 5 GGBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(Cl)ncc1[N+](=O)[O-])[C@@H]2C ZINC001164861667 720936331 /nfs/dbraw/zinc/93/63/31/720936331.db2.gz TXIJPZKKFSZWHP-GFCCVEGCSA-N 1 0 378.864 3.261 20 5 GGBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(Cl)ncc1[N+](=O)[O-])[C@H]2C ZINC001164861676 720937188 /nfs/dbraw/zinc/93/71/88/720937188.db2.gz TXIJPZKKFSZWHP-LBPRGKRZSA-N 1 0 378.864 3.261 20 5 GGBDRO O=[N+]([O-])c1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164899059 721510979 /nfs/dbraw/zinc/51/09/79/721510979.db2.gz JUHSVVUHHLJTLO-HOCLYGCPSA-N 1 0 392.818 3.124 20 5 GGBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164896282 721511746 /nfs/dbraw/zinc/51/17/46/721511746.db2.gz AMYLWLMBOISGNN-GOEBONIOSA-N 1 0 392.818 3.124 20 5 GGBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164899710 721511985 /nfs/dbraw/zinc/51/19/85/721511985.db2.gz LUYFGZIRWJPHCR-HIFRSBDPSA-N 1 0 392.818 3.124 20 5 GGBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164899709 721511999 /nfs/dbraw/zinc/51/19/99/721511999.db2.gz LUYFGZIRWJPHCR-DZGCQCFKSA-N 1 0 392.818 3.124 20 5 GGBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164899713 721512331 /nfs/dbraw/zinc/51/23/31/721512331.db2.gz LUYFGZIRWJPHCR-ZFWWWQNUSA-N 1 0 392.818 3.124 20 5 GGBDRO O=[N+]([O-])c1cc(Cl)cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164905238 721527152 /nfs/dbraw/zinc/52/71/52/721527152.db2.gz HDNTUIXHYNHLTC-HOCLYGCPSA-N 1 0 392.818 3.124 20 5 GGBDRO O=[N+]([O-])c1ccnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164908331 721584575 /nfs/dbraw/zinc/58/45/75/721584575.db2.gz YKCXZEPDNJRZGF-GOSISDBHSA-N 1 0 389.406 3.123 20 5 GGBDRO COc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)ccc1[N+](=O)[O-] ZINC001165026311 721805126 /nfs/dbraw/zinc/80/51/26/721805126.db2.gz QORJOLYBMHSSCZ-RYQLBKOJSA-N 1 0 397.479 3.130 20 5 GGBDRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001164923637 721868150 /nfs/dbraw/zinc/86/81/50/721868150.db2.gz JICDLFHWJFXZID-IRXDYDNUSA-N 1 0 389.887 3.011 20 5 GGBDRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001164934133 721880606 /nfs/dbraw/zinc/88/06/06/721880606.db2.gz PPNLWMPPFUBIGC-IRXDYDNUSA-N 1 0 389.887 3.011 20 5 GGBDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001164929545 721888764 /nfs/dbraw/zinc/88/87/64/721888764.db2.gz BQMQHYSOYKTWGO-CVEARBPZSA-N 1 0 389.887 3.011 20 5 GGBDRO O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[NH+](C[C@H]4CCCO4)CC3)ccc21 ZINC001165040148 721912276 /nfs/dbraw/zinc/91/22/76/721912276.db2.gz YREJRTBZQLGYBE-CYBMUJFWSA-N 1 0 376.844 3.097 20 5 GGBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[NH+](C[C@@H]4CCCO4)CC3)c2c1 ZINC001165038707 721919054 /nfs/dbraw/zinc/91/90/54/721919054.db2.gz OXFNMDRVIBIZMZ-AWEZNQCLSA-N 1 0 376.844 3.097 20 5 GGBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC([NH+](CC)CC)CC1 ZINC001165052496 722000541 /nfs/dbraw/zinc/00/05/41/722000541.db2.gz SBBXTTJAQTYVLM-UHFFFAOYSA-N 1 0 384.864 3.131 20 5 GGBDRO COc1cnc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c([N+](=O)[O-])c1 ZINC001164993885 722198174 /nfs/dbraw/zinc/19/81/74/722198174.db2.gz INQWTMFBODEQDG-HXUWFJFHSA-N 1 0 386.427 3.382 20 5 GGBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824604801 946854059 /nfs/dbraw/zinc/85/40/59/946854059.db2.gz DSEDPTAHKYLNSR-SNVBAGLBSA-N 1 0 390.806 3.461 20 5 GGBDRO Cc1cc(N(C)Cc2cccc(-c3nn[nH]n3)c2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000826269113 947777748 /nfs/dbraw/zinc/77/77/48/947777748.db2.gz APRXMNQWPADVMP-UHFFFAOYSA-N 1 0 375.392 3.268 20 5 GGBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2cc(F)c(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001575516981 949218710 /nfs/dbraw/zinc/21/87/10/949218710.db2.gz SHMJSYQTDKGGQX-JSGCOSHPSA-N 1 0 397.414 3.161 20 5 GGBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2cc(F)c(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001575516983 949222239 /nfs/dbraw/zinc/22/22/39/949222239.db2.gz SHMJSYQTDKGGQX-TZMCWYRMSA-N 1 0 397.414 3.161 20 5 GGBDRO CC(C)(C)C[C@@H]([NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)C(=O)[O-] ZINC001589751950 988058363 /nfs/dbraw/zinc/05/83/63/988058363.db2.gz NRRXBDJSYADDFX-LJQANCHMSA-N 1 0 391.512 3.328 20 5 GGBDRO CC(C)(C)C[C@H]([NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)C(=O)[O-] ZINC001589751949 988058969 /nfs/dbraw/zinc/05/89/69/988058969.db2.gz NRRXBDJSYADDFX-IBGZPJMESA-N 1 0 391.512 3.328 20 5 GGBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000016140474 207072884 /nfs/dbraw/zinc/07/28/84/207072884.db2.gz BMWUPSAMMKISIT-UHFFFAOYSA-N 1 0 399.447 3.138 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1cccs1 ZINC000027676123 207328651 /nfs/dbraw/zinc/32/86/51/207328651.db2.gz QQTAXWUHKOZJHE-KRWDZBQOSA-N 1 0 388.493 3.289 20 5 GGBDRO COc1cc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000095405692 208179958 /nfs/dbraw/zinc/17/99/58/208179958.db2.gz ZAELKFACWPDODM-LLVKDONJSA-N 1 0 382.367 3.308 20 5 GGBDRO CCc1nsc(N2CCCN(Cc3c(Cl)cccc3[N+](=O)[O-])CC2)n1 ZINC000119262047 564262796 /nfs/dbraw/zinc/26/27/96/564262796.db2.gz ZFGWQMUWIDERGY-UHFFFAOYSA-N 1 0 381.889 3.374 20 5 GGBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000120101016 564304647 /nfs/dbraw/zinc/30/46/47/564304647.db2.gz VFIMBWXLSDVELQ-LBPRGKRZSA-N 1 0 384.274 3.208 20 5 GGBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000120604379 564328599 /nfs/dbraw/zinc/32/85/99/564328599.db2.gz UVOJRQOGOZYGED-HNNXBMFYSA-N 1 0 396.285 3.448 20 5 GGBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000120604236 564328977 /nfs/dbraw/zinc/32/89/77/564328977.db2.gz UVOJRQOGOZYGED-OAHLLOKOSA-N 1 0 396.285 3.448 20 5 GGBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000120964380 564346035 /nfs/dbraw/zinc/34/60/35/564346035.db2.gz UUKXRTWPLNOMOJ-CQSZACIVSA-N 1 0 396.285 3.448 20 5 GGBDRO C[N@@H+](Cc1ccc(Br)cc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026712839 564349076 /nfs/dbraw/zinc/34/90/76/564349076.db2.gz AIVWQZUPCMDUFK-INIZCTEOSA-N 1 0 395.253 3.229 20 5 GGBDRO Cc1ccc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000121146426 564356236 /nfs/dbraw/zinc/35/62/36/564356236.db2.gz NYBMJKDNIQTEGM-UHFFFAOYSA-N 1 0 392.253 3.185 20 5 GGBDRO Cc1cccn2cc(CNC(=O)c3ccc([N+](=O)[O-])cc3Br)nc12 ZINC000121748761 564384329 /nfs/dbraw/zinc/38/43/29/564384329.db2.gz ADEORTSNWZNIKR-UHFFFAOYSA-N 1 0 389.209 3.243 20 5 GGBDRO CCCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000121883110 564391803 /nfs/dbraw/zinc/39/18/03/564391803.db2.gz ICLIYIARIAAINH-UHFFFAOYSA-N 1 0 384.274 3.352 20 5 GGBDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000031960619 564394706 /nfs/dbraw/zinc/39/47/06/564394706.db2.gz VPYHPNWECWJZFD-UHFFFAOYSA-N 1 0 383.901 3.340 20 5 GGBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000122439932 564413548 /nfs/dbraw/zinc/41/35/48/564413548.db2.gz WBYINQPFHDQTBW-ZDUSSCGKSA-N 1 0 396.285 3.305 20 5 GGBDRO C[NH+](C)Cc1ccnc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000123627620 564456752 /nfs/dbraw/zinc/45/67/52/564456752.db2.gz BRILHDXKDIUZTR-UHFFFAOYSA-N 1 0 379.214 3.066 20 5 GGBDRO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C[NH+]1CCCCC1 ZINC000124244065 564475968 /nfs/dbraw/zinc/47/59/68/564475968.db2.gz AFFLFHHEZPBZSP-CYBMUJFWSA-N 1 0 398.301 3.138 20 5 GGBDRO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C[NH+]1CCCCC1 ZINC000124243900 564476324 /nfs/dbraw/zinc/47/63/24/564476324.db2.gz AFFLFHHEZPBZSP-ZDUSSCGKSA-N 1 0 398.301 3.138 20 5 GGBDRO C[NH+](C)Cc1ccc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000124922057 564497535 /nfs/dbraw/zinc/49/75/35/564497535.db2.gz FZPZXMXDLBBXMG-UHFFFAOYSA-N 1 0 392.253 3.349 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000124905441 564497543 /nfs/dbraw/zinc/49/75/43/564497543.db2.gz TWWWPPDYUBHZRS-ZDUSSCGKSA-N 1 0 396.285 3.224 20 5 GGBDRO CC1(C)CC(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC000125258180 564508584 /nfs/dbraw/zinc/50/85/84/564508584.db2.gz DELRPDOGPGFKHO-UHFFFAOYSA-N 1 0 384.274 3.396 20 5 GGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000125856192 564529368 /nfs/dbraw/zinc/52/93/68/564529368.db2.gz DXGKOHABTPWUAA-ZDUSSCGKSA-N 1 0 398.301 3.470 20 5 GGBDRO Cc1c(Br)cc(C(=O)Nc2cc(C[NH+](C)C)ccn2)cc1[N+](=O)[O-] ZINC000126702377 564558785 /nfs/dbraw/zinc/55/87/85/564558785.db2.gz SXMIXAAOKZNYQY-UHFFFAOYSA-N 1 0 393.241 3.375 20 5 GGBDRO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[NH+]1CCC(C)CC1 ZINC000128547440 564621963 /nfs/dbraw/zinc/62/19/63/564621963.db2.gz XRCACDZWCCALBF-CYBMUJFWSA-N 1 0 398.301 3.136 20 5 GGBDRO CCCC[N@H+](C)CC1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000129140067 564639290 /nfs/dbraw/zinc/63/92/90/564639290.db2.gz SEPPBNFEIBEQMN-UHFFFAOYSA-N 1 0 389.543 3.008 20 5 GGBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000129807785 564660905 /nfs/dbraw/zinc/66/09/05/564660905.db2.gz CINAHKCYQAQUME-CYBMUJFWSA-N 1 0 398.301 3.136 20 5 GGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc3c(c(Br)c2)OCO3)cc1 ZINC000058093405 564679086 /nfs/dbraw/zinc/67/90/86/564679086.db2.gz KLNSTKHSLFWBIX-UHFFFAOYSA-N 1 0 379.210 3.418 20 5 GGBDRO CC[NH+]1CCN(CCNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000058789726 564689920 /nfs/dbraw/zinc/68/99/20/564689920.db2.gz SESUZWNZSJCGDH-UHFFFAOYSA-N 1 0 380.798 3.316 20 5 GGBDRO Cc1c(Cl)cc(S(=O)(=O)NCCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000060950706 564703127 /nfs/dbraw/zinc/70/31/27/564703127.db2.gz UIOYNIYLJQTTFA-GFCCVEGCSA-N 1 0 389.905 3.099 20 5 GGBDRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccc([N+](=O)[O-])s1 ZINC000061289353 564705148 /nfs/dbraw/zinc/70/51/48/564705148.db2.gz HVJZLWMGTBHBJQ-UHFFFAOYSA-N 1 0 377.491 3.500 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CCCS3(=O)=O)o2)c(Cl)c1 ZINC000131769785 564723456 /nfs/dbraw/zinc/72/34/56/564723456.db2.gz JQJDVZNTVZMAPM-CYBMUJFWSA-N 1 0 384.841 3.175 20 5 GGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1 ZINC000134463742 564804588 /nfs/dbraw/zinc/80/45/88/564804588.db2.gz SXNOKGQUPGJUBI-JTQLQIEISA-N 1 0 375.376 3.146 20 5 GGBDRO C[C@@H](c1ccccn1)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000091704205 564871599 /nfs/dbraw/zinc/87/15/99/564871599.db2.gz ZRHDGIFVYCEJCU-NSHDSACASA-N 1 0 393.241 3.384 20 5 GGBDRO C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[NH2+]1 ZINC000092457036 564878168 /nfs/dbraw/zinc/87/81/68/564878168.db2.gz VIQGLECKGSYBMN-LLVKDONJSA-N 1 0 380.242 3.411 20 5 GGBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc(I)cc1[N+](=O)[O-] ZINC000096482946 564902077 /nfs/dbraw/zinc/90/20/77/564902077.db2.gz YDYRENVMIGPQCS-SNVBAGLBSA-N 1 0 377.226 3.342 20 5 GGBDRO C[C@@H]1C[C@@H](Nc2ccc(I)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000097635713 564909524 /nfs/dbraw/zinc/90/95/24/564909524.db2.gz IYBHEEIKIATDLX-KOLCDFICSA-N 1 0 375.210 3.094 20 5 GGBDRO C[NH+](C)C(C)(C)CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000151226447 564911094 /nfs/dbraw/zinc/91/10/94/564911094.db2.gz BQLFCCXQSXVJLR-UHFFFAOYSA-N 1 0 378.654 3.081 20 5 GGBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000101597316 564919359 /nfs/dbraw/zinc/91/93/59/564919359.db2.gz PCDLUDCWVVEOOA-UHFFFAOYSA-N 1 0 392.253 3.267 20 5 GGBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000152725758 564969695 /nfs/dbraw/zinc/96/96/95/564969695.db2.gz NUWJIZXTYWCLGO-ZDUSSCGKSA-N 1 0 396.285 3.448 20 5 GGBDRO C[N@H+](CCc1ccc(Br)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000106861723 564990359 /nfs/dbraw/zinc/99/03/59/564990359.db2.gz CLGVTONEUJRANI-UHFFFAOYSA-N 1 0 392.253 3.131 20 5 GGBDRO CCCC[NH+]1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000153599212 565002154 /nfs/dbraw/zinc/00/21/54/565002154.db2.gz LNJDWSVYDLLEGU-UHFFFAOYSA-N 1 0 398.301 3.281 20 5 GGBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc(I)cc1[N+](=O)[O-] ZINC000107801824 565002641 /nfs/dbraw/zinc/00/26/41/565002641.db2.gz IQGSUWXDWRQOJF-LLVKDONJSA-N 1 0 375.210 3.096 20 5 GGBDRO COC[C@H](O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000153784071 565010636 /nfs/dbraw/zinc/01/06/36/565010636.db2.gz PECJNANKSKCGDK-GFCCVEGCSA-N 1 0 399.241 3.104 20 5 GGBDRO CC(C)n1c(Sc2ncc(Cl)cc2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000153797970 565011955 /nfs/dbraw/zinc/01/19/55/565011955.db2.gz RTPXPBUDBNSEDL-SNVBAGLBSA-N 1 0 382.877 3.434 20 5 GGBDRO C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(Br)cc1[N+](=O)[O-] ZINC000153852119 565014182 /nfs/dbraw/zinc/01/41/82/565014182.db2.gz FUJJRRLCEUISDA-HNNXBMFYSA-N 1 0 395.253 3.229 20 5 GGBDRO C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(Br)cc1[N+](=O)[O-] ZINC000153852244 565014404 /nfs/dbraw/zinc/01/44/04/565014404.db2.gz FUJJRRLCEUISDA-OAHLLOKOSA-N 1 0 395.253 3.229 20 5 GGBDRO C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc([N+](=O)[O-])cc1Br ZINC000155052054 565060626 /nfs/dbraw/zinc/06/06/26/565060626.db2.gz CQACVJJITLNTPR-HNNXBMFYSA-N 1 0 395.253 3.229 20 5 GGBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)NC1CC[NH+](C2CC2)CC1 ZINC000155165725 565063342 /nfs/dbraw/zinc/06/33/42/565063342.db2.gz OKCMNSOYVWFOMF-UHFFFAOYSA-N 1 0 383.246 3.106 20 5 GGBDRO C[NH+](C)[C@]1(CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCSC1 ZINC000292040951 565094689 /nfs/dbraw/zinc/09/46/89/565094689.db2.gz XRZNTWDBVAOUIM-AWEZNQCLSA-N 1 0 378.281 3.069 20 5 GGBDRO C[NH+](C)[C@@]1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCSC1 ZINC000267108261 565105358 /nfs/dbraw/zinc/10/53/58/565105358.db2.gz QNCQEBIQIOFCKB-QGZVFWFLSA-N 1 0 378.523 3.245 20 5 GGBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000267939921 565135171 /nfs/dbraw/zinc/13/51/71/565135171.db2.gz RNURSYCNXIBLSJ-WDEREUQCSA-N 1 0 388.237 3.099 20 5 GGBDRO O=C(NCCC[NH+]1CCCCC1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267946370 565135685 /nfs/dbraw/zinc/13/56/85/565135685.db2.gz UOSKSBWUBRMVLN-UHFFFAOYSA-N 1 0 388.237 3.102 20 5 GGBDRO CCn1c(CC[NH3+])nnc1Sc1cc(C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000293079345 565149598 /nfs/dbraw/zinc/14/95/98/565149598.db2.gz NSNFLKMTCLIDRQ-UHFFFAOYSA-N 1 0 375.376 3.186 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000158769818 565180710 /nfs/dbraw/zinc/18/07/10/565180710.db2.gz FDHJYKUEUSYNFE-GFCCVEGCSA-N 1 0 384.274 3.352 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000158769968 565181185 /nfs/dbraw/zinc/18/11/85/565181185.db2.gz FDHJYKUEUSYNFE-LBPRGKRZSA-N 1 0 384.274 3.352 20 5 GGBDRO CCCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C1CC[NH2+]CC1 ZINC000269234197 565182238 /nfs/dbraw/zinc/18/22/38/565182238.db2.gz JKKNYBOBAVBPAF-UHFFFAOYSA-N 1 0 388.237 3.101 20 5 GGBDRO [NH3+]C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C1CCCCC1 ZINC000269236860 565182273 /nfs/dbraw/zinc/18/22/73/565182273.db2.gz XDTKQUYFNJRWIO-GFCCVEGCSA-N 1 0 388.237 3.134 20 5 GGBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000371470123 565194932 /nfs/dbraw/zinc/19/49/32/565194932.db2.gz JCFYHHGZYJWOTE-FRFSOERESA-N 1 0 398.301 3.041 20 5 GGBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000371470124 565195087 /nfs/dbraw/zinc/19/50/87/565195087.db2.gz JCFYHHGZYJWOTE-KMFMINBZSA-N 1 0 398.301 3.041 20 5 GGBDRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCS1(=O)=O ZINC000294037644 565195621 /nfs/dbraw/zinc/19/56/21/565195621.db2.gz WCPGBAOYCINWNG-BONVTDFDSA-N 1 0 384.841 3.173 20 5 GGBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000371470125 565195638 /nfs/dbraw/zinc/19/56/38/565195638.db2.gz JCFYHHGZYJWOTE-UKPHBRMFSA-N 1 0 398.301 3.041 20 5 GGBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000270099352 565208798 /nfs/dbraw/zinc/20/87/98/565208798.db2.gz LEBMHWDVPDNFAC-ZDUSSCGKSA-N 1 0 396.285 3.161 20 5 GGBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H](O)c1ccccc1Br ZINC000295433898 565265440 /nfs/dbraw/zinc/26/54/40/565265440.db2.gz VZTVRDMECBDQDJ-IRXDYDNUSA-N 1 0 395.253 3.056 20 5 GGBDRO Cc1c(Br)cc(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000272209853 565280932 /nfs/dbraw/zinc/28/09/32/565280932.db2.gz RHHLKHYXXXTNRC-LBPRGKRZSA-N 1 0 398.301 3.468 20 5 GGBDRO Cc1c(Br)cc(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000272209852 565280955 /nfs/dbraw/zinc/28/09/55/565280955.db2.gz RHHLKHYXXXTNRC-GFCCVEGCSA-N 1 0 398.301 3.468 20 5 GGBDRO COc1cc(C[NH2+]C[C@@H]2CSCCS2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272441698 565287800 /nfs/dbraw/zinc/28/78/00/565287800.db2.gz OOHUEZFQLSTAFP-LLVKDONJSA-N 1 0 394.465 3.186 20 5 GGBDRO C[C@@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000272711085 565295862 /nfs/dbraw/zinc/29/58/62/565295862.db2.gz KRXSXOAUFKUGRJ-SNVBAGLBSA-N 1 0 383.246 3.129 20 5 GGBDRO Cc1c(Br)cc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000272787397 565296666 /nfs/dbraw/zinc/29/66/66/565296666.db2.gz SPODNQYXGWVFEP-LLVKDONJSA-N 1 0 382.258 3.046 20 5 GGBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(Br)c1 ZINC000161921195 565297318 /nfs/dbraw/zinc/29/73/18/565297318.db2.gz CNUHKMDFPSTPJG-ABAIWWIYSA-N 1 0 381.274 3.205 20 5 GGBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCSc3ccccc32)cc1 ZINC000272894264 565300562 /nfs/dbraw/zinc/30/05/62/565300562.db2.gz BHQCPBQUOVRTNJ-MRXNPFEDSA-N 1 0 378.475 3.195 20 5 GGBDRO CC(C)[C@@H](NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)c1ncc[nH]1 ZINC000296082398 565301404 /nfs/dbraw/zinc/30/14/04/565301404.db2.gz PYUNDWOKOZOWJG-LLVKDONJSA-N 1 0 393.252 3.300 20 5 GGBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000162164816 565307394 /nfs/dbraw/zinc/30/73/94/565307394.db2.gz QNDLYSAQTHDTRZ-CQSZACIVSA-N 1 0 382.258 3.058 20 5 GGBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000273224276 565313043 /nfs/dbraw/zinc/31/30/43/565313043.db2.gz DSBIUDMUGPEPKL-LLVKDONJSA-N 1 0 384.274 3.160 20 5 GGBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000273288337 565315503 /nfs/dbraw/zinc/31/55/03/565315503.db2.gz PETKUIGGYZLFPR-NSHDSACASA-N 1 0 384.274 3.160 20 5 GGBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(c3nc(C(F)(F)F)cs3)CC2)n1 ZINC000296505432 565320459 /nfs/dbraw/zinc/32/04/59/565320459.db2.gz ZMVGNZOJRPVBNJ-UHFFFAOYSA-N 1 0 375.376 3.146 20 5 GGBDRO Cc1c(Br)cc(C(=O)N(C)CC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000188027906 565372071 /nfs/dbraw/zinc/37/20/71/565372071.db2.gz ZBDLTIYQTKRAGS-UHFFFAOYSA-N 1 0 384.274 3.222 20 5 GGBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000275555233 565417809 /nfs/dbraw/zinc/41/78/09/565417809.db2.gz CSWKUWOBLBYIBN-VXGBXAGGSA-N 1 0 380.388 3.079 20 5 GGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H](O)c3ccc(Cl)cc3Cl)CC2)n1 ZINC000376477459 565439152 /nfs/dbraw/zinc/43/91/52/565439152.db2.gz LRAUJYDERWVACH-HNNXBMFYSA-N 1 0 385.251 3.469 20 5 GGBDRO C[N@@H+]1CCCC12CCN(C(=O)c1cccc([N+](=O)[O-])c1Br)CC2 ZINC000377151458 565469193 /nfs/dbraw/zinc/46/91/93/565469193.db2.gz KVVCOBAZTCSEIL-UHFFFAOYSA-N 1 0 382.258 3.058 20 5 GGBDRO CC(C)[C@@H](CNc1cc(Br)ccc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000301328208 565479471 /nfs/dbraw/zinc/47/94/71/565479471.db2.gz CJEIRAKATVHQDZ-MRXNPFEDSA-N 1 0 385.306 3.041 20 5 GGBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1Br)Cc1ccccc1 ZINC000301490994 565490002 /nfs/dbraw/zinc/49/00/02/565490002.db2.gz BGAYPCFYFAWEFK-CYBMUJFWSA-N 1 0 379.258 3.337 20 5 GGBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1Br)Cc1ccccc1 ZINC000301490995 565490098 /nfs/dbraw/zinc/49/00/98/565490098.db2.gz BGAYPCFYFAWEFK-ZDUSSCGKSA-N 1 0 379.258 3.337 20 5 GGBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172555346 565491772 /nfs/dbraw/zinc/49/17/72/565491772.db2.gz UUIBTAZUYHJZPS-UHFFFAOYSA-N 1 0 396.285 3.448 20 5 GGBDRO C[N@H+](CCNc1ncc([N+](=O)[O-])cc1Br)Cc1ccc(F)cc1 ZINC000301517479 565492744 /nfs/dbraw/zinc/49/27/44/565492744.db2.gz FUHBZSZFFOVNBO-UHFFFAOYSA-N 1 0 383.221 3.435 20 5 GGBDRO C[C@@H]1C[NH+](CCCCNc2ncc([N+](=O)[O-])cc2Br)C[C@@H](C)O1 ZINC000301659640 565502438 /nfs/dbraw/zinc/50/24/38/565502438.db2.gz TWCCLMITUKVXIG-VXGBXAGGSA-N 1 0 387.278 3.054 20 5 GGBDRO C[C@@H]1C[N@@H+](CCCCNc2ncc(Br)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301661708 565503286 /nfs/dbraw/zinc/50/32/86/565503286.db2.gz KCTKTEIBGVNAAZ-TXEJJXNPSA-N 1 0 387.278 3.054 20 5 GGBDRO CC1CCC([NH+]2CCN(c3ncc(Br)cc3[N+](=O)[O-])CC2)CC1 ZINC000301694065 565504394 /nfs/dbraw/zinc/50/43/94/565504394.db2.gz OTNDZEPOHSXTNP-UHFFFAOYSA-N 1 0 383.290 3.453 20 5 GGBDRO C[NH+](C)[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000301683498 565504828 /nfs/dbraw/zinc/50/48/28/565504828.db2.gz KMXGXUKXCJDCPN-CQSZACIVSA-N 1 0 379.258 3.337 20 5 GGBDRO O=[N+]([O-])c1cc(Br)cnc1NCC1([NH+]2CCCCC2)CCOCC1 ZINC000301715380 565506581 /nfs/dbraw/zinc/50/65/81/565506581.db2.gz ZZNQJWARNNIYEH-UHFFFAOYSA-N 1 0 399.289 3.199 20 5 GGBDRO CC(C)OCC[NH+]1CCC(Nc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000301840359 565512714 /nfs/dbraw/zinc/51/27/14/565512714.db2.gz APISKKZSDASATC-UHFFFAOYSA-N 1 0 387.278 3.054 20 5 GGBDRO O=[N+]([O-])c1cncc(Br)c1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000301872577 565515473 /nfs/dbraw/zinc/51/54/73/565515473.db2.gz DFNLUSNVOFILOP-SMDDNHRTSA-N 1 0 381.274 3.205 20 5 GGBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000277720375 565516392 /nfs/dbraw/zinc/51/63/92/565516392.db2.gz SZAOMDPABDKVNL-NSHDSACASA-N 1 0 384.274 3.160 20 5 GGBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000277720370 565516616 /nfs/dbraw/zinc/51/66/16/565516616.db2.gz SZAOMDPABDKVNL-LLVKDONJSA-N 1 0 384.274 3.160 20 5 GGBDRO COc1cc(C[N@@H+]2CCSC[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000190448809 565533208 /nfs/dbraw/zinc/53/32/08/565533208.db2.gz VLRLAQUAQSALKS-LLVKDONJSA-N 1 0 376.425 3.432 20 5 GGBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2sc(Br)cc2[N+](=O)[O-])C1 ZINC000278129520 565542101 /nfs/dbraw/zinc/54/21/01/565542101.db2.gz MPOALYXJAHKUAH-IUCAKERBSA-N 1 0 376.276 3.021 20 5 GGBDRO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000173280569 565543142 /nfs/dbraw/zinc/54/31/42/565543142.db2.gz SHPHEAXBXFOZFI-ZDUSSCGKSA-N 1 0 396.285 3.352 20 5 GGBDRO Cc1cc(NC[C@H](O)C[NH+]2CCC(C)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302676236 565549824 /nfs/dbraw/zinc/54/98/24/565549824.db2.gz MVRXKOHNXTWARW-ZDUSSCGKSA-N 1 0 386.290 3.170 20 5 GGBDRO C[C@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173341276 565550294 /nfs/dbraw/zinc/55/02/94/565550294.db2.gz PEERATVUYORIRS-LBPRGKRZSA-N 1 0 392.253 3.438 20 5 GGBDRO Cc1cc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c(Br)cc1[N+](=O)[O-] ZINC000302688718 565550840 /nfs/dbraw/zinc/55/08/40/565550840.db2.gz RCKMAJIEHHSVFM-AWEZNQCLSA-N 1 0 398.301 3.214 20 5 GGBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000278823801 565579493 /nfs/dbraw/zinc/57/94/93/565579493.db2.gz YGLRCMFHCPCKOJ-ZDUSSCGKSA-N 1 0 398.301 3.042 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000408004901 565590968 /nfs/dbraw/zinc/59/09/68/565590968.db2.gz ZWKTVSCGKSZQGI-LRDDRELGSA-N 1 0 396.285 3.222 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000408005676 565591053 /nfs/dbraw/zinc/59/10/53/565591053.db2.gz RVCMRUMVTKLNOA-MLGOLLRUSA-N 1 0 396.285 3.222 20 5 GGBDRO Cc1cc(N2CCN(C3CCOCC3)C[C@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000408353369 565605460 /nfs/dbraw/zinc/60/54/60/565605460.db2.gz ARZRWAYCFYZGPQ-CYBMUJFWSA-N 1 0 398.301 3.355 20 5 GGBDRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279430468 565612274 /nfs/dbraw/zinc/61/22/74/565612274.db2.gz GOHFQEJHQMNQOY-UONOGXRCSA-N 1 0 380.388 3.059 20 5 GGBDRO Cc1c(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000326317475 565623776 /nfs/dbraw/zinc/62/37/76/565623776.db2.gz ULZPGDDMQLYUPU-OAHLLOKOSA-N 1 0 395.253 3.195 20 5 GGBDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCC1 ZINC000279635793 565624134 /nfs/dbraw/zinc/62/41/34/565624134.db2.gz CMAFRFGRCOXNRO-UHFFFAOYSA-N 1 0 380.491 3.380 20 5 GGBDRO [NH3+]CCC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000327769552 565633581 /nfs/dbraw/zinc/63/35/81/565633581.db2.gz SDHJZQYFPKTEKD-OAHLLOKOSA-N 1 0 383.857 3.007 20 5 GGBDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCC1 ZINC000279789939 565634117 /nfs/dbraw/zinc/63/41/17/565634117.db2.gz MGPQKVLCGQNWNO-UHFFFAOYSA-N 1 0 380.491 3.380 20 5 GGBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174522040 565640590 /nfs/dbraw/zinc/64/05/90/565640590.db2.gz CDNWWNMJKAMJLM-CYBMUJFWSA-N 1 0 396.285 3.305 20 5 GGBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174522052 565640636 /nfs/dbraw/zinc/64/06/36/565640636.db2.gz CDNWWNMJKAMJLM-ZDUSSCGKSA-N 1 0 396.285 3.305 20 5 GGBDRO COc1cc(C[NH2+]C[C@H]2CCSC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000280118860 565652672 /nfs/dbraw/zinc/65/26/72/565652672.db2.gz PJSZVYCKSXVSGX-SNVBAGLBSA-N 1 0 380.388 3.387 20 5 GGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000192359011 565682077 /nfs/dbraw/zinc/68/20/77/565682077.db2.gz XQGCFLPYWWFFJI-GFCCVEGCSA-N 1 0 384.274 3.161 20 5 GGBDRO C[NH+](C)Cc1ccc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000175181940 565683724 /nfs/dbraw/zinc/68/37/24/565683724.db2.gz RJYUPASIZOMGPS-UHFFFAOYSA-N 1 0 392.253 3.349 20 5 GGBDRO C[C@@H](CCNC(=O)c1cccc([N+](=O)[O-])c1Br)[NH+]1CCCCC1 ZINC000192380961 565683849 /nfs/dbraw/zinc/68/38/49/565683849.db2.gz ZMLIRGYVWVRNGL-LBPRGKRZSA-N 1 0 384.274 3.352 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000330477205 565708950 /nfs/dbraw/zinc/70/89/50/565708950.db2.gz IOLZSGYYZVWGIS-UHFFFAOYSA-N 1 0 384.274 3.080 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000330476109 565709056 /nfs/dbraw/zinc/70/90/56/565709056.db2.gz GZBLHSLANHKWTM-LBPRGKRZSA-N 1 0 384.274 3.080 20 5 GGBDRO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176020301 565741105 /nfs/dbraw/zinc/74/11/05/565741105.db2.gz YMUUVTIJGNHFIC-AWEZNQCLSA-N 1 0 396.285 3.352 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000331419869 565759786 /nfs/dbraw/zinc/75/97/86/565759786.db2.gz KROKMEGWUHPWQO-ZDUSSCGKSA-N 1 0 396.285 3.366 20 5 GGBDRO COC1([C@@H](C)[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCC1 ZINC000412017957 565766235 /nfs/dbraw/zinc/76/62/35/565766235.db2.gz AQZQMQVKXQYZBE-SNVBAGLBSA-N 1 0 390.221 3.247 20 5 GGBDRO Cc1c(Cl)cc(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000193919220 565784076 /nfs/dbraw/zinc/78/40/76/565784076.db2.gz WXSBCRFVQSMOOC-UHFFFAOYSA-N 1 0 389.905 3.098 20 5 GGBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000331827312 565785602 /nfs/dbraw/zinc/78/56/02/565785602.db2.gz JCLPJKQNLMPBCK-UWVGGRQHSA-N 1 0 388.287 3.118 20 5 GGBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000331827315 565786470 /nfs/dbraw/zinc/78/64/70/565786470.db2.gz JCLPJKQNLMPBCK-VHSXEESVSA-N 1 0 388.287 3.118 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000331901889 565791783 /nfs/dbraw/zinc/79/17/83/565791783.db2.gz GXQKHKOQQGMHND-LBPRGKRZSA-N 1 0 396.285 3.412 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000332089923 565804985 /nfs/dbraw/zinc/80/49/85/565804985.db2.gz UWSYIOSTPHOLMF-MLGOLLRUSA-N 1 0 396.285 3.365 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N(C)CC[NH+](C)C)cc2[N+](=O)[O-])n1 ZINC000176808947 565805235 /nfs/dbraw/zinc/80/52/35/565805235.db2.gz DJZKBBJPDADOCP-UHFFFAOYSA-N 1 0 380.495 3.145 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000332089924 565805604 /nfs/dbraw/zinc/80/56/04/565805604.db2.gz UWSYIOSTPHOLMF-WBMJQRKESA-N 1 0 396.285 3.365 20 5 GGBDRO O=C(NCCC[NH+]1CCCCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176928107 565815300 /nfs/dbraw/zinc/81/53/00/565815300.db2.gz XXTXKYKUNONDNF-UHFFFAOYSA-N 1 0 384.274 3.353 20 5 GGBDRO Cc1c(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000332234258 565819166 /nfs/dbraw/zinc/81/91/66/565819166.db2.gz PJOZUNMEPOJZJF-UHTWSYAYSA-N 1 0 397.273 3.257 20 5 GGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000176989858 565820464 /nfs/dbraw/zinc/82/04/64/565820464.db2.gz WYPDVUJBSDKBSW-CHWSQXEVSA-N 1 0 398.301 3.455 20 5 GGBDRO C[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000176986039 565820809 /nfs/dbraw/zinc/82/08/09/565820809.db2.gz LTGSVXVZXRBKMS-RYUDHWBXSA-N 1 0 384.274 3.208 20 5 GGBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177026642 565823825 /nfs/dbraw/zinc/82/38/25/565823825.db2.gz PREDRLWEQMGKDG-FRRDWIJNSA-N 1 0 398.301 3.454 20 5 GGBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[NH+](C2CCCCC2)CC1 ZINC000332327973 565830014 /nfs/dbraw/zinc/83/00/14/565830014.db2.gz BCVVMULGUPEXJS-UHFFFAOYSA-N 1 0 396.285 3.448 20 5 GGBDRO CCCC[NH+]1CCC(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000177277163 565840341 /nfs/dbraw/zinc/84/03/41/565840341.db2.gz QUMGWMASNOYSML-UHFFFAOYSA-N 1 0 384.274 3.352 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000332524968 565842595 /nfs/dbraw/zinc/84/25/95/565842595.db2.gz BQGSTNWGXVFFHL-WCQYABFASA-N 1 0 396.285 3.365 20 5 GGBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000177347022 565844490 /nfs/dbraw/zinc/84/44/90/565844490.db2.gz XAMIRKVIJMYYSC-ZDUSSCGKSA-N 1 0 396.285 3.305 20 5 GGBDRO Cc1c(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000332598537 565846051 /nfs/dbraw/zinc/84/60/51/565846051.db2.gz MNNCPHJQWONDPD-ZDUSSCGKSA-N 1 0 397.273 3.368 20 5 GGBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000332597140 565846031 /nfs/dbraw/zinc/84/60/31/565846031.db2.gz PPCMDSXOSHIRGQ-QWHCGFSZSA-N 1 0 396.285 3.365 20 5 GGBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000332597138 565846424 /nfs/dbraw/zinc/84/64/24/565846424.db2.gz PPCMDSXOSHIRGQ-OLZOCXBDSA-N 1 0 396.285 3.365 20 5 GGBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000332595750 565846478 /nfs/dbraw/zinc/84/64/78/565846478.db2.gz GQMLTZGJCUSYAB-STQMWFEESA-N 1 0 382.258 3.056 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000284226907 565846732 /nfs/dbraw/zinc/84/67/32/565846732.db2.gz DQWIDEFKGLEWFB-ZUZCIYMTSA-N 1 0 384.274 3.078 20 5 GGBDRO C[NH+](C)CCN(Cc1ccsc1)c1ncc([N+](=O)[O-])cc1Br ZINC000413448296 565852609 /nfs/dbraw/zinc/85/26/09/565852609.db2.gz IGUYSAKLJZTFPG-UHFFFAOYSA-N 1 0 385.287 3.382 20 5 GGBDRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000285200557 565893904 /nfs/dbraw/zinc/89/39/04/565893904.db2.gz OBUMZRXWANQCKG-OCCSQVGLSA-N 1 0 380.388 3.059 20 5 GGBDRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000414147349 565899392 /nfs/dbraw/zinc/89/93/92/565899392.db2.gz RIYLALAXQPSTSY-RYUDHWBXSA-N 1 0 380.242 3.258 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000285821694 565928144 /nfs/dbraw/zinc/92/81/44/565928144.db2.gz ZKEOIHHRSXVGLT-LBPRGKRZSA-N 1 0 398.301 3.468 20 5 GGBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000285939124 565933701 /nfs/dbraw/zinc/93/37/01/565933701.db2.gz USQYELDLJUCPBO-IAQYHMDHSA-N 1 0 382.258 3.056 20 5 GGBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000236607110 565940183 /nfs/dbraw/zinc/94/01/83/565940183.db2.gz KNRSBUYEONIQJH-UHFFFAOYSA-N 1 0 392.253 3.267 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3CCC[NH2+]3)o2)c(Br)c1 ZINC000414851709 565963714 /nfs/dbraw/zinc/96/37/14/565963714.db2.gz UQWBIXYCUWELHU-LLVKDONJSA-N 1 0 380.242 3.459 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCS(=O)(=O)C3)o2)c(Cl)c1 ZINC000237816233 565971419 /nfs/dbraw/zinc/97/14/19/565971419.db2.gz YOPPMKQVGZDBCZ-NSHDSACASA-N 1 0 384.841 3.033 20 5 GGBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000245697345 566001750 /nfs/dbraw/zinc/00/17/50/566001750.db2.gz SJWZFPYGVXNAPB-KBPBESRZSA-N 1 0 382.258 3.056 20 5 GGBDRO Cc1c(NC(=O)NCC[C@H]2CCC[NH2+]C2)cc(Br)cc1[N+](=O)[O-] ZINC000415658679 566012190 /nfs/dbraw/zinc/01/21/90/566012190.db2.gz NSAYNDSJWJCUID-LLVKDONJSA-N 1 0 385.262 3.177 20 5 GGBDRO Cc1c(NC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415662881 566012290 /nfs/dbraw/zinc/01/22/90/566012290.db2.gz RSMQRUNOQVKAQV-JQWIXIFHSA-N 1 0 385.262 3.305 20 5 GGBDRO O=[N+]([O-])c1cncc(Br)c1NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180046369 566027578 /nfs/dbraw/zinc/02/75/78/566027578.db2.gz OICIOYBIRSFWNN-UHFFFAOYSA-N 1 0 392.257 3.476 20 5 GGBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000288146539 566058667 /nfs/dbraw/zinc/05/86/67/566058667.db2.gz KVKLTIDRWSTANA-DGCLKSJQSA-N 1 0 382.258 3.056 20 5 GGBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000288146534 566059038 /nfs/dbraw/zinc/05/90/38/566059038.db2.gz KVKLTIDRWSTANA-AAEUAGOBSA-N 1 0 382.258 3.056 20 5 GGBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000180393190 566060551 /nfs/dbraw/zinc/06/05/51/566060551.db2.gz BRILQCXBVQZAEC-LRDDRELGSA-N 1 0 395.253 3.448 20 5 GGBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000248372632 566076372 /nfs/dbraw/zinc/07/63/72/566076372.db2.gz BDOJAFRRZWKKPJ-GXTWGEPZSA-N 1 0 383.901 3.283 20 5 GGBDRO C[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C1CCOCC1 ZINC000289297471 566116280 /nfs/dbraw/zinc/11/62/80/566116280.db2.gz AYYFQKGDDOEKOX-SNVBAGLBSA-N 1 0 390.221 3.104 20 5 GGBDRO C[NH+]1CCC2(CCCN2C(=O)c2sc(Br)cc2[N+](=O)[O-])CC1 ZINC000365703784 566116479 /nfs/dbraw/zinc/11/64/79/566116479.db2.gz LXHWZUYNCWJZNI-UHFFFAOYSA-N 1 0 388.287 3.119 20 5 GGBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000289540237 566127852 /nfs/dbraw/zinc/12/78/52/566127852.db2.gz DZHYWFQTADFHFA-DGCLKSJQSA-N 1 0 382.258 3.056 20 5 GGBDRO COC[C@]1(CNc2c3cc(Br)ccc3ncc2[N+](=O)[O-])CCC[NH2+]1 ZINC000261640111 566128030 /nfs/dbraw/zinc/12/80/30/566128030.db2.gz IIPATSDRBUNPRS-MRXNPFEDSA-N 1 0 395.257 3.086 20 5 GGBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000181361062 566136205 /nfs/dbraw/zinc/13/62/05/566136205.db2.gz SGUNENLMDAABAH-WFASDCNBSA-N 1 0 395.253 3.448 20 5 GGBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000289830981 566142686 /nfs/dbraw/zinc/14/26/86/566142686.db2.gz LFUWCHQFKQVMBD-SNVBAGLBSA-N 1 0 396.296 3.006 20 5 GGBDRO C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C[C@H]1[NH3+] ZINC000261988055 566142660 /nfs/dbraw/zinc/14/26/60/566142660.db2.gz JYAQGNSCZYVGPK-ZUZCIYMTSA-N 1 0 380.242 3.396 20 5 GGBDRO C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C[C@@H]1[NH3+] ZINC000261988052 566143386 /nfs/dbraw/zinc/14/33/86/566143386.db2.gz JYAQGNSCZYVGPK-BONVTDFDSA-N 1 0 380.242 3.396 20 5 GGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)s1 ZINC000289966895 566149959 /nfs/dbraw/zinc/14/99/59/566149959.db2.gz CVRVKNLPOKGCGR-CYBMUJFWSA-N 1 0 380.491 3.238 20 5 GGBDRO COc1cc(C[NH2+]C[C@@H]2CCCSC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000290093287 566156944 /nfs/dbraw/zinc/15/69/44/566156944.db2.gz HELWTJRUZJJWSU-NSHDSACASA-N 1 0 376.425 3.480 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CCCS(=O)(=O)C3)s2)cc1 ZINC000290106079 566157245 /nfs/dbraw/zinc/15/72/45/566157245.db2.gz KQFGHLXZELNVCP-CYBMUJFWSA-N 1 0 380.491 3.238 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2nccn2C)C1 ZINC000366930334 566176759 /nfs/dbraw/zinc/17/67/59/566176759.db2.gz AMLWBUVHPRVZRY-LLVKDONJSA-N 1 0 393.241 3.029 20 5 GGBDRO COCCC[NH+]1CCC(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000290984636 566199884 /nfs/dbraw/zinc/19/98/84/566199884.db2.gz YYOBPIXCQWHCNA-UHFFFAOYSA-N 1 0 376.284 3.492 20 5 GGBDRO CC1(C)CC(NC(=O)c2cccc([N+](=O)[O-])c2Br)CC(C)(C)[NH2+]1 ZINC000182660302 566218109 /nfs/dbraw/zinc/21/81/09/566218109.db2.gz OQJRILJRGKCNAY-UHFFFAOYSA-N 1 0 384.274 3.396 20 5 GGBDRO CC(C)n1c(Sc2ncc([N+](=O)[O-])cc2Cl)nnc1[C@H]1CCC[NH2+]C1 ZINC000265473557 566237644 /nfs/dbraw/zinc/23/76/44/566237644.db2.gz DNWLXDURDPWSAO-JTQLQIEISA-N 1 0 382.877 3.434 20 5 GGBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000183158951 566240079 /nfs/dbraw/zinc/24/00/79/566240079.db2.gz BDOJAFRRZWKKPJ-TZMCWYRMSA-N 1 0 383.901 3.283 20 5 GGBDRO C[N@@H+]1CCCC12CCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)CC2 ZINC000368700926 566244291 /nfs/dbraw/zinc/24/42/91/566244291.db2.gz XIKKHRHZWLQOJB-UHFFFAOYSA-N 1 0 382.258 3.058 20 5 GGBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CC2(C(F)F)CC2)c1 ZINC000575370718 566269553 /nfs/dbraw/zinc/26/95/53/566269553.db2.gz HYMUFLQWEATAMK-UHFFFAOYSA-N 1 0 382.148 3.334 20 5 GGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](Sc3ccc(Br)cc3)C2)c1 ZINC000599526908 566271570 /nfs/dbraw/zinc/27/15/70/566271570.db2.gz WFRPSXPHOURDTJ-OAHLLOKOSA-N 1 0 397.298 3.420 20 5 GGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](Sc3ccc(Br)cc3)C2)c1 ZINC000599526907 566271906 /nfs/dbraw/zinc/27/19/06/566271906.db2.gz WFRPSXPHOURDTJ-HNNXBMFYSA-N 1 0 397.298 3.420 20 5 GGBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000599540492 566274110 /nfs/dbraw/zinc/27/41/10/566274110.db2.gz DQUGPCNEDSFIHB-ZDUSSCGKSA-N 1 0 396.285 3.448 20 5 GGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599607366 566280630 /nfs/dbraw/zinc/28/06/30/566280630.db2.gz NYONIAPPQXUYED-GFCCVEGCSA-N 1 0 384.274 3.161 20 5 GGBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599666712 566284117 /nfs/dbraw/zinc/28/41/17/566284117.db2.gz BRCABKLGHNZNML-LBPRGKRZSA-N 1 0 384.274 3.065 20 5 GGBDRO C[N@@H+]1CCCC12CCN(C(=O)c1c(Br)cccc1[N+](=O)[O-])CC2 ZINC000599732003 566291281 /nfs/dbraw/zinc/29/12/81/566291281.db2.gz HTFYYFXBEBKLOO-UHFFFAOYSA-N 1 0 382.258 3.058 20 5 GGBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3c(Br)cccc3[N+](=O)[O-])C2)CC1 ZINC000599723837 566291409 /nfs/dbraw/zinc/29/14/09/566291409.db2.gz PPMWEPSOSWNIFG-CYBMUJFWSA-N 1 0 396.285 3.161 20 5 GGBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000575918165 566298734 /nfs/dbraw/zinc/29/87/34/566298734.db2.gz NVDCPAPIXRJZJS-CVEARBPZSA-N 1 0 398.301 3.090 20 5 GGBDRO CC1(C)CCC[N@H+](CCNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599831664 566299134 /nfs/dbraw/zinc/29/91/34/566299134.db2.gz VMLURLNAEHFHHL-UHFFFAOYSA-N 1 0 384.274 3.209 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCn1cc(Br)ccc1=O ZINC000556455248 566302560 /nfs/dbraw/zinc/30/25/60/566302560.db2.gz FNEQCWXYGLHQLL-GFCCVEGCSA-N 1 0 380.242 3.178 20 5 GGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOc2ccc(I)cc2)cc1 ZINC000509436477 566305821 /nfs/dbraw/zinc/30/58/21/566305821.db2.gz CFNIPVJOPWEPPP-UHFFFAOYSA-N 1 0 398.200 3.368 20 5 GGBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000600099382 566313763 /nfs/dbraw/zinc/31/37/63/566313763.db2.gz OBLLPWYQXYZEMN-GFCCVEGCSA-N 1 0 384.274 3.208 20 5 GGBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1c(Br)cccc1[N+](=O)[O-] ZINC000600085399 566314840 /nfs/dbraw/zinc/31/48/40/566314840.db2.gz LGNUKNJQMJOGAR-OLZOCXBDSA-N 1 0 382.258 3.104 20 5 GGBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000600087531 566314658 /nfs/dbraw/zinc/31/46/58/566314658.db2.gz MQVKCNBADZJFOY-NSHDSACASA-N 1 0 384.274 3.208 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000600315314 566332348 /nfs/dbraw/zinc/33/23/48/566332348.db2.gz RSKJUFXTXKIDME-LBPRGKRZSA-N 1 0 384.274 3.127 20 5 GGBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462667663 566338213 /nfs/dbraw/zinc/33/82/13/566338213.db2.gz HVLNVOROVZESJA-LLVKDONJSA-N 1 0 396.296 3.006 20 5 GGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000446273462 566339453 /nfs/dbraw/zinc/33/94/53/566339453.db2.gz AHOVHNCXIFMUCB-JSGCOSHPSA-N 1 0 398.301 3.231 20 5 GGBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000446260943 566340117 /nfs/dbraw/zinc/34/01/17/566340117.db2.gz TXXHCTUPNHBMHE-CYBMUJFWSA-N 1 0 398.301 3.090 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000556985332 566353083 /nfs/dbraw/zinc/35/30/83/566353083.db2.gz ZGFPWPFRKQPYJF-LBPRGKRZSA-N 1 0 384.274 3.268 20 5 GGBDRO CC[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@H](C)OC ZINC000462824221 566354598 /nfs/dbraw/zinc/35/45/98/566354598.db2.gz CUHMMWMDNVZOLI-JTQLQIEISA-N 1 0 378.210 3.056 20 5 GGBDRO C[C@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Sc1ccccc1 ZINC000576576475 566359442 /nfs/dbraw/zinc/35/94/42/566359442.db2.gz DBFNQYQQCIMVQW-CQSZACIVSA-N 1 0 380.491 3.139 20 5 GGBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000462893652 566365305 /nfs/dbraw/zinc/36/53/05/566365305.db2.gz DOOJQSCKBFETGT-ZDUSSCGKSA-N 1 0 389.253 3.356 20 5 GGBDRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000510504540 566389504 /nfs/dbraw/zinc/38/95/04/566389504.db2.gz ALNPOIYMTLLMQK-UHFFFAOYSA-N 1 0 389.905 3.135 20 5 GGBDRO COC(C)(C)C[C@@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000576932697 566390940 /nfs/dbraw/zinc/39/09/40/566390940.db2.gz RQGRIUNJCPUVNL-SNVBAGLBSA-N 1 0 392.237 3.493 20 5 GGBDRO C[NH+](C)C1CCC(NC(=O)c2sc(Br)cc2[N+](=O)[O-])CC1 ZINC000421679469 566398025 /nfs/dbraw/zinc/39/80/25/566398025.db2.gz KQSZLFHKGJXQSN-UHFFFAOYSA-N 1 0 376.276 3.021 20 5 GGBDRO CSc1ccccc1CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000511148481 566442595 /nfs/dbraw/zinc/44/25/95/566442595.db2.gz YTSVPALYZVSPLD-UHFFFAOYSA-N 1 0 377.491 3.336 20 5 GGBDRO C[NH+](C)CCCOC1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000484830300 566458852 /nfs/dbraw/zinc/45/88/52/566458852.db2.gz PEKHIACVEMWPCW-UHFFFAOYSA-N 1 0 386.290 3.294 20 5 GGBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000448283750 566467947 /nfs/dbraw/zinc/46/79/47/566467947.db2.gz NHDYJFJSHPZKDV-ZDUSSCGKSA-N 1 0 398.301 3.455 20 5 GGBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000448424208 566473649 /nfs/dbraw/zinc/47/36/49/566473649.db2.gz JAIWNBGWQKCQKP-ZDUSSCGKSA-N 1 0 398.301 3.455 20 5 GGBDRO O=C1CCCCCN1CCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602505694 566475357 /nfs/dbraw/zinc/47/53/57/566475357.db2.gz XIRDVCSSTHIMNA-UHFFFAOYSA-N 1 0 390.303 3.301 20 5 GGBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000602517980 566476351 /nfs/dbraw/zinc/47/63/51/566476351.db2.gz ITLUJZUYGBTCPU-CYBMUJFWSA-N 1 0 396.285 3.209 20 5 GGBDRO COCCC[NH+]1CCC(NCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602526224 566476574 /nfs/dbraw/zinc/47/65/74/566476574.db2.gz FEKRZOOLPXZTLL-UHFFFAOYSA-N 1 0 392.319 3.009 20 5 GGBDRO CN(C)C(=O)[C@H]1CCC[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602544970 566478525 /nfs/dbraw/zinc/47/85/25/566478525.db2.gz CWSIJVKSZWXVMG-UWVGGRQHSA-N 1 0 390.303 3.155 20 5 GGBDRO CC(C)([NH2+]Cc1cnn2cc(Br)cnc12)c1ccc([N+](=O)[O-])cc1 ZINC000602614434 566481597 /nfs/dbraw/zinc/48/15/97/566481597.db2.gz YSXHZSTZEDTXNM-UHFFFAOYSA-N 1 0 390.241 3.425 20 5 GGBDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCC1 ZINC000602652276 566484335 /nfs/dbraw/zinc/48/43/35/566484335.db2.gz BXWUTFMEVPBTHP-UHFFFAOYSA-N 1 0 380.388 3.061 20 5 GGBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@@H](CO)c2ccc(F)cc2)cc1Br ZINC000602689417 566487534 /nfs/dbraw/zinc/48/75/34/566487534.db2.gz HJXFJVKOHNWTEI-JTQLQIEISA-N 1 0 389.246 3.424 20 5 GGBDRO CC(C)(C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@@]1(O)CCCOC1 ZINC000602718687 566489866 /nfs/dbraw/zinc/48/98/66/566489866.db2.gz PUCPOOGVIJNBGV-CQSZACIVSA-N 1 0 393.303 3.076 20 5 GGBDRO CC(C)(C)N1C[C@@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1=O ZINC000602717897 566489937 /nfs/dbraw/zinc/48/99/37/566489937.db2.gz JUNXVEYUZXIXAO-SECBINFHSA-N 1 0 390.303 3.155 20 5 GGBDRO C[N@@H+]1CCC[C@H](CNc2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000538088614 566492035 /nfs/dbraw/zinc/49/20/35/566492035.db2.gz IBJMEYKZGZDCIL-LLVKDONJSA-N 1 0 379.258 3.081 20 5 GGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)c1 ZINC000423981927 566500905 /nfs/dbraw/zinc/50/09/05/566500905.db2.gz ZBGLFWMXUYHCHZ-UHFFFAOYSA-N 1 0 378.479 3.493 20 5 GGBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000578383477 566517813 /nfs/dbraw/zinc/51/78/13/566517813.db2.gz RMGKCKYTINOOHB-LLVKDONJSA-N 1 0 391.269 3.224 20 5 GGBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[N@H+](CC2CCC2)CC1 ZINC000578420912 566520713 /nfs/dbraw/zinc/52/07/13/566520713.db2.gz LKQTVTJBIUANGC-UHFFFAOYSA-N 1 0 396.285 3.305 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1ccc(Cl)cc1Cl ZINC000603824926 566540642 /nfs/dbraw/zinc/54/06/42/566540642.db2.gz ZYXZKVRFXKOBKB-AWEZNQCLSA-N 1 0 385.247 3.474 20 5 GGBDRO COc1cc(CSCC2CC[NH2+]CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000578646693 566542776 /nfs/dbraw/zinc/54/27/76/566542776.db2.gz HABOLZIQBHPUGA-UHFFFAOYSA-N 1 0 376.425 3.480 20 5 GGBDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000578682183 566543380 /nfs/dbraw/zinc/54/33/80/566543380.db2.gz GCBKJEGPGAXDRV-UFBFGSQYSA-N 1 0 378.235 3.041 20 5 GGBDRO C[N@@H+](Cc1cccc(Br)c1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000604016316 566550757 /nfs/dbraw/zinc/55/07/57/566550757.db2.gz PDOYDJABRMZJPF-INIZCTEOSA-N 1 0 395.253 3.229 20 5 GGBDRO CC(C)c1ccc(C[NH2+]CCn2cc(Br)ccc2=O)cc1[N+](=O)[O-] ZINC000449373965 566553633 /nfs/dbraw/zinc/55/36/33/566553633.db2.gz DFUWUUXAAJTLCF-UHFFFAOYSA-N 1 0 394.269 3.432 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000559517647 566554253 /nfs/dbraw/zinc/55/42/53/566554253.db2.gz SVOPXYUWVHXXDY-UHFFFAOYSA-N 1 0 384.274 3.080 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000559550897 566557512 /nfs/dbraw/zinc/55/75/12/566557512.db2.gz ZRPQTYKZUILWSY-NSHDSACASA-N 1 0 386.290 3.372 20 5 GGBDRO COc1cc(C[N@@H+]2CC[C@H](SC)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000449446196 566562705 /nfs/dbraw/zinc/56/27/05/566562705.db2.gz ORCMTRPPOIJATP-NSHDSACASA-N 1 0 380.388 3.482 20 5 GGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)c1 ZINC000449603335 566582307 /nfs/dbraw/zinc/58/23/07/566582307.db2.gz VXBLFPSRQAEIKC-CYBMUJFWSA-N 1 0 397.244 3.437 20 5 GGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)cc1 ZINC000449601804 566582501 /nfs/dbraw/zinc/58/25/01/566582501.db2.gz SGHQVJAEHWDLKC-CYBMUJFWSA-N 1 0 397.244 3.437 20 5 GGBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C[C@@H]1C ZINC000579137093 566583232 /nfs/dbraw/zinc/58/32/32/566583232.db2.gz BHLDUVOZYGVAPD-WDEREUQCSA-N 1 0 384.274 3.220 20 5 GGBDRO CNC(=O)C[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000449604745 566583877 /nfs/dbraw/zinc/58/38/77/566583877.db2.gz ULAOUUXONZAUPT-JTQLQIEISA-N 1 0 396.241 3.232 20 5 GGBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cn3ccc(Br)cc3n2)c1 ZINC000579217465 566589498 /nfs/dbraw/zinc/58/94/98/566589498.db2.gz XEXWVNSEUZIJEO-UHFFFAOYSA-N 1 0 375.226 3.337 20 5 GGBDRO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc(Br)cc2[N+](=O)[O-])N1 ZINC000486606912 566603844 /nfs/dbraw/zinc/60/38/44/566603844.db2.gz VMPQNAJZVZVXCD-ZDUSSCGKSA-N 1 0 387.197 3.204 20 5 GGBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425412756 566640171 /nfs/dbraw/zinc/64/01/71/566640171.db2.gz ALURKYGMAYTBGH-HLLBOEOZSA-N 1 0 398.301 3.041 20 5 GGBDRO CCO[C@H]1C[C@](CO)([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])C1(C)C ZINC000425451593 566645369 /nfs/dbraw/zinc/64/53/69/566645369.db2.gz VXSPTWMPSRURLK-GOEBONIOSA-N 1 0 387.274 3.013 20 5 GGBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000540470657 566651717 /nfs/dbraw/zinc/65/17/17/566651717.db2.gz NSOHNKBWRCLWMW-KRWDZBQOSA-N 1 0 383.539 3.262 20 5 GGBDRO CC(C)[NH+](CCCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000467785024 566666754 /nfs/dbraw/zinc/66/67/54/566666754.db2.gz CHZKLKXCAXGXML-UHFFFAOYSA-N 1 0 377.894 3.035 20 5 GGBDRO C[C@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000561335128 566695506 /nfs/dbraw/zinc/69/55/06/566695506.db2.gz LKXQTZZOVDPVKI-WFASDCNBSA-N 1 0 387.311 3.364 20 5 GGBDRO CN(CCC[N@H+](C)Cc1ccco1)c1ncc([N+](=O)[O-])cc1Br ZINC000561408199 566702840 /nfs/dbraw/zinc/70/28/40/566702840.db2.gz JXGMUFTVWNGDIO-UHFFFAOYSA-N 1 0 383.246 3.304 20 5 GGBDRO CC(C)(O)C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1CCOCC1 ZINC000580545949 566702972 /nfs/dbraw/zinc/70/29/72/566702972.db2.gz AUBLOTBNVABEEB-UHFFFAOYSA-N 1 0 387.274 3.109 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)CCC[NH+]1CCCC1 ZINC000515440978 566712638 /nfs/dbraw/zinc/71/26/38/566712638.db2.gz JNSKMWCOQIAEKY-UHFFFAOYSA-N 1 0 384.274 3.224 20 5 GGBDRO CN(c1nc2sccn2c1[N+](=O)[O-])C1CC[NH+](CCC(F)(F)F)CC1 ZINC000450950779 566723830 /nfs/dbraw/zinc/72/38/30/566723830.db2.gz NWHLNUDMRJWRHO-UHFFFAOYSA-N 1 0 377.392 3.157 20 5 GGBDRO COc1cccc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)c1 ZINC000580803306 566724438 /nfs/dbraw/zinc/72/44/38/566724438.db2.gz OQIZISRPVCHCOF-UHFFFAOYSA-N 1 0 398.200 3.498 20 5 GGBDRO CCCC[N@H+](CCCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000580861859 566729513 /nfs/dbraw/zinc/72/95/13/566729513.db2.gz TUYJJQPGWCMPNT-UHFFFAOYSA-N 1 0 392.237 3.184 20 5 GGBDRO Cc1c(Br)c(N2CC[C@@H](C3CC[NH+](C)CC3)C2)ncc1[N+](=O)[O-] ZINC000541575989 566734973 /nfs/dbraw/zinc/73/49/73/566734973.db2.gz OYBRAQWYXSBEJA-CYBMUJFWSA-N 1 0 383.290 3.229 20 5 GGBDRO NC(=O)[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1Cl ZINC000541764618 566746701 /nfs/dbraw/zinc/74/67/01/566746701.db2.gz IFBPUUDJCJPJAT-ZDUSSCGKSA-N 1 0 382.247 3.335 20 5 GGBDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000451096970 566755539 /nfs/dbraw/zinc/75/55/39/566755539.db2.gz CTNVMGNXLOPXMC-LRDDRELGSA-N 1 0 395.253 3.448 20 5 GGBDRO Cc1ccc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)cn1 ZINC000562068447 566762227 /nfs/dbraw/zinc/76/22/27/566762227.db2.gz UBUWPDJRUXCNSE-UHFFFAOYSA-N 1 0 383.189 3.193 20 5 GGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000609464307 566764882 /nfs/dbraw/zinc/76/48/82/566764882.db2.gz JZJCHGXJOVYJID-UHFFFAOYSA-N 1 0 379.258 3.433 20 5 GGBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H](CO)c2ccc(Br)cc2)c1 ZINC000541983729 566765454 /nfs/dbraw/zinc/76/54/54/566765454.db2.gz RRBDCMXRHNKDQD-INIZCTEOSA-N 1 0 381.226 3.059 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000581325646 566768832 /nfs/dbraw/zinc/76/88/32/566768832.db2.gz LUEDFERCGDANLA-UHFFFAOYSA-N 1 0 396.285 3.270 20 5 GGBDRO C[NH+](C)[C@@H]1CCCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000609508471 566768799 /nfs/dbraw/zinc/76/87/99/566768799.db2.gz YSHXKSRJZSIEEZ-GFCCVEGCSA-N 1 0 379.258 3.436 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000489309440 566780283 /nfs/dbraw/zinc/78/02/83/566780283.db2.gz AHFAAEDYLYHINJ-OAHLLOKOSA-N 1 0 384.274 3.078 20 5 GGBDRO C[C@@H](CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000542454009 566802278 /nfs/dbraw/zinc/80/22/78/566802278.db2.gz XRCMACRXGSUOIB-LBPRGKRZSA-N 1 0 384.274 3.352 20 5 GGBDRO Cc1c(Br)c(NCc2ccc(C[NH+](C)C)c(F)c2)ncc1[N+](=O)[O-] ZINC000542505277 566807485 /nfs/dbraw/zinc/80/74/85/566807485.db2.gz BNPUMLYUWNVMQI-UHFFFAOYSA-N 1 0 397.248 3.295 20 5 GGBDRO C[NH+](C)CCN(Cc1cccs1)c1ncc([N+](=O)[O-])cc1Br ZINC000470042768 566840856 /nfs/dbraw/zinc/84/08/56/566840856.db2.gz NVCUFTOHDRSTNC-UHFFFAOYSA-N 1 0 385.287 3.382 20 5 GGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)cc1 ZINC000428532073 566852534 /nfs/dbraw/zinc/85/25/34/566852534.db2.gz GGAISLREZAOTIS-OAHLLOKOSA-N 1 0 379.254 3.298 20 5 GGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](CO)Cc2ccccc2Br)cs1 ZINC000428536761 566852843 /nfs/dbraw/zinc/85/28/43/566852843.db2.gz JXYRBXIHIFSVQC-LLVKDONJSA-N 1 0 385.283 3.360 20 5 GGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)c1 ZINC000428530072 566853130 /nfs/dbraw/zinc/85/31/30/566853130.db2.gz CIUYTLBWWDECIL-HNNXBMFYSA-N 1 0 379.254 3.298 20 5 GGBDRO Cc1c(Br)cc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000470170413 566853377 /nfs/dbraw/zinc/85/33/77/566853377.db2.gz UNFOZLSPXHKDDU-AWEZNQCLSA-N 1 0 396.285 3.412 20 5 GGBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000470237388 566858672 /nfs/dbraw/zinc/85/86/72/566858672.db2.gz MJVNBTHHFXOCCQ-CYBMUJFWSA-N 1 0 396.285 3.161 20 5 GGBDRO C[C@H]1COCC[N@@H+]1C1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000582428801 566861891 /nfs/dbraw/zinc/86/18/91/566861891.db2.gz ZXNAVJIKRPDSTA-ZDUSSCGKSA-N 1 0 398.301 3.042 20 5 GGBDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)c1ncccc1[N+](=O)[O-] ZINC000470454175 566875055 /nfs/dbraw/zinc/87/50/55/566875055.db2.gz ZXWMMSUYRUCOIT-UHFFFAOYSA-N 1 0 379.258 3.321 20 5 GGBDRO C[C@@H](CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000543381182 566875528 /nfs/dbraw/zinc/87/55/28/566875528.db2.gz FMMRAANQXYGUNE-LBPRGKRZSA-N 1 0 384.274 3.352 20 5 GGBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCCCCC[NH+]1CCCCC1 ZINC000518447099 566884949 /nfs/dbraw/zinc/88/49/49/566884949.db2.gz WISYVDSCHACZAT-UHFFFAOYSA-N 1 0 389.905 3.183 20 5 GGBDRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543635418 566894176 /nfs/dbraw/zinc/89/41/76/566894176.db2.gz ABYBKMCYMSGNGJ-ZDUSSCGKSA-N 1 0 382.869 3.243 20 5 GGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000428992625 566897256 /nfs/dbraw/zinc/89/72/56/566897256.db2.gz KIXIUTWGIFTCBC-INIZCTEOSA-N 1 0 383.217 3.362 20 5 GGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000428992627 566897281 /nfs/dbraw/zinc/89/72/81/566897281.db2.gz KIXIUTWGIFTCBC-MRXNPFEDSA-N 1 0 383.217 3.362 20 5 GGBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000518658825 566898239 /nfs/dbraw/zinc/89/82/39/566898239.db2.gz UILINFKHJKYDMH-LBPRGKRZSA-N 1 0 389.905 3.037 20 5 GGBDRO C[NH+](C)C1(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CCCCCC1 ZINC000611267824 566905331 /nfs/dbraw/zinc/90/53/31/566905331.db2.gz RQHYFVGDGDVYIG-UHFFFAOYSA-N 1 0 375.516 3.126 20 5 GGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000429033422 566905390 /nfs/dbraw/zinc/90/53/90/566905390.db2.gz FAOGCBRCSWVZAE-INIZCTEOSA-N 1 0 399.216 3.198 20 5 GGBDRO C[N@H+](CCc1ccncc1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000518840972 566906361 /nfs/dbraw/zinc/90/63/61/566906361.db2.gz BYGXOVXXSQWOCR-UHFFFAOYSA-N 1 0 397.216 3.269 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@H]4C[NH2+]C[C@@H]4C3)o2)c(Br)c1 ZINC000611287850 566907958 /nfs/dbraw/zinc/90/79/58/566907958.db2.gz WTOHPEGWKZRJPJ-VXGBXAGGSA-N 1 0 392.253 3.269 20 5 GGBDRO CC[N@H+](CCNc1ncc([N+](=O)[O-])c(C)c1Br)CCC(F)(F)F ZINC000491608570 566912613 /nfs/dbraw/zinc/91/26/13/566912613.db2.gz ZAOSWENXBNTIAM-UHFFFAOYSA-N 1 0 399.211 3.169 20 5 GGBDRO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000429411737 566929085 /nfs/dbraw/zinc/92/90/85/566929085.db2.gz WPCUKEMDSZBRIB-HNNXBMFYSA-N 1 0 379.258 3.467 20 5 GGBDRO COc1ccc([C@@H](C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])cc1Br ZINC000611621490 566932162 /nfs/dbraw/zinc/93/21/62/566932162.db2.gz BWSIBUSPGTXALJ-SNVBAGLBSA-N 1 0 383.246 3.222 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2cccc(Cl)c2Cl)c1 ZINC000519749300 566965755 /nfs/dbraw/zinc/96/57/55/566965755.db2.gz BJFRFHYKDLOWFA-CQSZACIVSA-N 1 0 385.247 3.474 20 5 GGBDRO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000583662450 566971265 /nfs/dbraw/zinc/97/12/65/566971265.db2.gz DFHPAHQIMTUQQR-LLVKDONJSA-N 1 0 378.235 3.137 20 5 GGBDRO CC(C)[N@H+](C)C[C@H](C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000564420471 566973828 /nfs/dbraw/zinc/97/38/28/566973828.db2.gz WTUCVXJPCCIGLE-NSHDSACASA-N 1 0 391.253 3.018 20 5 GGBDRO CC(C)(C)C[C@H](CO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000564410508 566974613 /nfs/dbraw/zinc/97/46/13/566974613.db2.gz QAYJGEGCDDVPBG-GFCCVEGCSA-N 1 0 392.237 3.086 20 5 GGBDRO COc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c(Br)c1 ZINC000564501092 566979228 /nfs/dbraw/zinc/97/92/28/566979228.db2.gz YWPZDWJQIQYLOR-UHFFFAOYSA-N 1 0 380.242 3.331 20 5 GGBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCc3sc(Cl)cc32)cc1 ZINC000612576092 566981628 /nfs/dbraw/zinc/98/16/28/566981628.db2.gz FFSVSDUSYYGZAU-CYBMUJFWSA-N 1 0 386.882 3.361 20 5 GGBDRO C[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000452569821 566992146 /nfs/dbraw/zinc/99/21/46/566992146.db2.gz FFJZAJWPSGRUOA-LBPRGKRZSA-N 1 0 383.901 3.283 20 5 GGBDRO C[N@H+](CCc1ccccn1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000520292045 566996105 /nfs/dbraw/zinc/99/61/05/566996105.db2.gz NUJJYPSGJNLGFI-UHFFFAOYSA-N 1 0 397.216 3.269 20 5 GGBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000564862440 567014741 /nfs/dbraw/zinc/01/47/41/567014741.db2.gz DBVLDLQAZUKNLT-DLBZAZTESA-N 1 0 380.853 3.168 20 5 GGBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@H]2CCSC2)c1 ZINC000584165638 567017175 /nfs/dbraw/zinc/01/71/75/567017175.db2.gz VNGLKLPJFYQHSR-SECBINFHSA-N 1 0 378.235 3.042 20 5 GGBDRO Cc1ccc([C@@H](C)[NH2+]CCn2cc(Br)ccc2=O)cc1[N+](=O)[O-] ZINC000453240478 567064755 /nfs/dbraw/zinc/06/47/55/567064755.db2.gz CLEAUVFBVSIXLA-GFCCVEGCSA-N 1 0 380.242 3.178 20 5 GGBDRO O=c1ccc(Br)cn1CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453243547 567066762 /nfs/dbraw/zinc/06/67/62/567066762.db2.gz GPUVKJXLZHIYRV-INIZCTEOSA-N 1 0 392.253 3.186 20 5 GGBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000585699213 567079284 /nfs/dbraw/zinc/07/92/84/567079284.db2.gz RLDZBKFJWQGOOF-GFCCVEGCSA-N 1 0 384.274 3.270 20 5 GGBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000585699214 567080243 /nfs/dbraw/zinc/08/02/43/567080243.db2.gz RLDZBKFJWQGOOF-LBPRGKRZSA-N 1 0 384.274 3.270 20 5 GGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000585700288 567080835 /nfs/dbraw/zinc/08/08/35/567080835.db2.gz LADKLNPGNFCGLC-OLZOCXBDSA-N 1 0 396.285 3.365 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccsc1 ZINC000431503996 567086172 /nfs/dbraw/zinc/08/61/72/567086172.db2.gz DCXDRKKMVIMADP-CQSZACIVSA-N 1 0 398.282 3.452 20 5 GGBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000431500781 567086381 /nfs/dbraw/zinc/08/63/81/567086381.db2.gz TYSNWYSSMDUURM-BXUZGUMPSA-N 1 0 384.274 3.302 20 5 GGBDRO COc1sc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1Br ZINC000522035554 567095455 /nfs/dbraw/zinc/09/54/55/567095455.db2.gz YOMOOCNRHJVKPJ-UHFFFAOYSA-N 1 0 386.271 3.393 20 5 GGBDRO C[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000431641685 567099603 /nfs/dbraw/zinc/09/96/03/567099603.db2.gz WQBBYTSTIYAHIE-NWDGAFQWSA-N 1 0 384.274 3.350 20 5 GGBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H](CO)c2ccccc2)c1 ZINC000565861988 567106661 /nfs/dbraw/zinc/10/66/61/567106661.db2.gz QBTNNIYERIEOKT-HNNXBMFYSA-N 1 0 398.200 3.023 20 5 GGBDRO C[NH+](C)[C@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000473921842 567116235 /nfs/dbraw/zinc/11/62/35/567116235.db2.gz WVMQFDHOYPDBPS-OAHLLOKOSA-N 1 0 389.905 3.037 20 5 GGBDRO O=C1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCN1c1cccc(Br)c1 ZINC000432338839 567151344 /nfs/dbraw/zinc/15/13/44/567151344.db2.gz YDENSIDUIQYYGV-MRXNPFEDSA-N 1 0 390.237 3.252 20 5 GGBDRO COc1ccc(Br)c(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1 ZINC000589191362 567164015 /nfs/dbraw/zinc/16/40/15/567164015.db2.gz LMERHVFPLOTHBN-UHFFFAOYSA-N 1 0 380.242 3.331 20 5 GGBDRO NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000546885832 567167883 /nfs/dbraw/zinc/16/78/83/567167883.db2.gz MYYQSXDZDBCOMD-HNNXBMFYSA-N 1 0 382.247 3.130 20 5 GGBDRO CC[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000589252258 567169755 /nfs/dbraw/zinc/16/97/55/567169755.db2.gz QFPATUHEUBDNDF-NSHDSACASA-N 1 0 390.221 3.058 20 5 GGBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2CCC(F)(F)C2)c1 ZINC000589315656 567175543 /nfs/dbraw/zinc/17/55/43/567175543.db2.gz MSEXNQZVSGVMBL-JTQLQIEISA-N 1 0 382.148 3.477 20 5 GGBDRO CSC1(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC[NH+](C)CC1 ZINC000589477719 567180356 /nfs/dbraw/zinc/18/03/56/567180356.db2.gz HKDHAUCMEZCJNQ-ZDUSSCGKSA-N 1 0 383.539 3.019 20 5 GGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000589630985 567188363 /nfs/dbraw/zinc/18/83/63/567188363.db2.gz NOPFHGNWEGRTOI-GFCCVEGCSA-N 1 0 386.290 3.136 20 5 GGBDRO CC[N@H+](C)CCNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000498752557 567200146 /nfs/dbraw/zinc/20/01/46/567200146.db2.gz HTQWJAJUCXBKFT-UHFFFAOYSA-N 1 0 380.495 3.192 20 5 GGBDRO O=C(C[NH2+][C@@H]1CC2CCC1CC2)Nc1ccc([N+](=O)[O-])cc1Br ZINC000433062110 567219190 /nfs/dbraw/zinc/21/91/90/567219190.db2.gz MZOXABMHOAKISO-QKFMDRJYSA-N 1 0 382.258 3.464 20 5 GGBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCOc2ccccc2)c1 ZINC000567284429 567232827 /nfs/dbraw/zinc/23/28/27/567232827.db2.gz OLKZNUYIMNLUSK-UHFFFAOYSA-N 1 0 398.200 3.368 20 5 GGBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433321756 567242192 /nfs/dbraw/zinc/24/21/92/567242192.db2.gz OQUYFYNMQUGXHO-CYBMUJFWSA-N 1 0 379.258 3.155 20 5 GGBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433321757 567242665 /nfs/dbraw/zinc/24/26/65/567242665.db2.gz OQUYFYNMQUGXHO-ZDUSSCGKSA-N 1 0 379.258 3.155 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3C[C@H](F)C[NH2+]3)o2)c(Br)c1 ZINC000591281914 567271376 /nfs/dbraw/zinc/27/13/76/567271376.db2.gz VFWAWEKMEHUVQM-QWRGUYRKSA-N 1 0 398.232 3.407 20 5 GGBDRO O=C(CSCC1CC[NH2+]CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000567809288 567280083 /nfs/dbraw/zinc/28/00/83/567280083.db2.gz OMZYRMOXSMLAEV-UHFFFAOYSA-N 1 0 388.287 3.029 20 5 GGBDRO C[N@@H+]1CC[C@@H]2CN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])C[C@@H]21 ZINC000567840014 567283096 /nfs/dbraw/zinc/28/30/96/567283096.db2.gz LRBPGIABXRDVQV-BMIGLBTASA-N 1 0 377.242 3.046 20 5 GGBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1cnc2c(c1)C[NH2+]CC2 ZINC000591681307 567292053 /nfs/dbraw/zinc/29/20/53/567292053.db2.gz CVJQWSVMXQIERB-UHFFFAOYSA-N 1 0 378.841 3.020 20 5 GGBDRO CC[NH+](CC)[C@H](CNc1c(Br)cncc1[N+](=O)[O-])c1ccco1 ZINC000500260080 567311230 /nfs/dbraw/zinc/31/12/30/567311230.db2.gz FGBALESZGDISFT-GFCCVEGCSA-N 1 0 383.246 3.262 20 5 GGBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592254795 567324833 /nfs/dbraw/zinc/32/48/33/567324833.db2.gz JPLFYORFJVPRAZ-CHWSQXEVSA-N 1 0 396.285 3.209 20 5 GGBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592256353 567325063 /nfs/dbraw/zinc/32/50/63/567325063.db2.gz YFHRZMKOQWPMIX-CHWSQXEVSA-N 1 0 396.285 3.209 20 5 GGBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592256360 567326754 /nfs/dbraw/zinc/32/67/54/567326754.db2.gz YFHRZMKOQWPMIX-STQMWFEESA-N 1 0 396.285 3.209 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000568676738 567347633 /nfs/dbraw/zinc/34/76/33/567347633.db2.gz OEDREANBTAAZQY-SWLSCSKDSA-N 1 0 396.285 3.365 20 5 GGBDRO Cc1c(NC(=O)NCC[N@H+]2CC=C(C)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435327605 567356157 /nfs/dbraw/zinc/35/61/57/567356157.db2.gz HYGWKUXDQTUSRT-UHFFFAOYSA-N 1 0 397.273 3.439 20 5 GGBDRO Cc1c(NC(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435326246 567356265 /nfs/dbraw/zinc/35/62/65/567356265.db2.gz CEHFQVFDMCUOCO-JQWIXIFHSA-N 1 0 385.262 3.270 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[NH2+]CC3)o2)c(Br)c1 ZINC000435381807 567359824 /nfs/dbraw/zinc/35/98/24/567359824.db2.gz VTXWSMXCQXUCRV-UHFFFAOYSA-N 1 0 380.242 3.413 20 5 GGBDRO CCCN(C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000592829769 567368784 /nfs/dbraw/zinc/36/87/84/567368784.db2.gz YJBXERFDNANUSQ-CYBMUJFWSA-N 1 0 384.274 3.222 20 5 GGBDRO Cc1sc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000435632444 567381582 /nfs/dbraw/zinc/38/15/82/567381582.db2.gz OJRGFIRCLAFZDU-AWEZNQCLSA-N 1 0 387.527 3.040 20 5 GGBDRO CCC[N@H+](CC)CCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000569175168 567383823 /nfs/dbraw/zinc/38/38/23/567383823.db2.gz DWTABAFOEUXTHE-UHFFFAOYSA-N 1 0 391.253 3.021 20 5 GGBDRO CCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000569483319 567408309 /nfs/dbraw/zinc/40/83/09/567408309.db2.gz DAICQAXHKAIMMK-UHFFFAOYSA-N 1 0 389.905 3.135 20 5 GGBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1NC1CC[NH+](C2CC2)CC1 ZINC000502105485 567420086 /nfs/dbraw/zinc/42/00/86/567420086.db2.gz ALPJAEHNRQXZPR-UHFFFAOYSA-N 1 0 391.269 3.366 20 5 GGBDRO CC[N@@H+]1CCC[C@H]1CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000502099258 567420358 /nfs/dbraw/zinc/42/03/58/567420358.db2.gz PLSVQRDBRMYLSG-LBPRGKRZSA-N 1 0 379.258 3.224 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCn1cc(Br)cn1)C1CC1 ZINC000569717847 567426522 /nfs/dbraw/zinc/42/65/22/567426522.db2.gz LTDAFKKFDJKBIG-HNNXBMFYSA-N 1 0 379.258 3.165 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](CO)CCF)o2)c(Br)c1 ZINC000593690410 567434573 /nfs/dbraw/zinc/43/45/73/567434573.db2.gz YHUCRCKSEZJLSY-JTQLQIEISA-N 1 0 387.205 3.427 20 5 GGBDRO C[C@H](COCC1CC1)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000593682538 567434607 /nfs/dbraw/zinc/43/46/07/567434607.db2.gz SQMKHXRIQZNYJA-SNVBAGLBSA-N 1 0 390.221 3.104 20 5 GGBDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000569861001 567437557 /nfs/dbraw/zinc/43/75/57/567437557.db2.gz PDYUDMDXXPQUOL-IINYFYTJSA-N 1 0 392.237 3.086 20 5 GGBDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000569861002 567437881 /nfs/dbraw/zinc/43/78/81/567437881.db2.gz PDYUDMDXXPQUOL-QMTHXVAHSA-N 1 0 392.237 3.086 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000457090202 567437899 /nfs/dbraw/zinc/43/78/99/567437899.db2.gz LTVVBKZJGZTPGY-LBPRGKRZSA-N 1 0 384.274 3.220 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000550291417 567438285 /nfs/dbraw/zinc/43/82/85/567438285.db2.gz BLYAIUBHZYGMAP-ZDUSSCGKSA-N 1 0 386.290 3.372 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000457086270 567438360 /nfs/dbraw/zinc/43/83/60/567438360.db2.gz OXJWKRBMDHZARR-UHFFFAOYSA-N 1 0 384.274 3.270 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000457172169 567446316 /nfs/dbraw/zinc/44/63/16/567446316.db2.gz TWDNUTSUIMQTDF-UHFFFAOYSA-N 1 0 384.274 3.270 20 5 GGBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1cccc(Br)c1 ZINC000478353412 567449459 /nfs/dbraw/zinc/44/94/59/567449459.db2.gz CEEHNCWZZJJUBO-UHFFFAOYSA-N 1 0 396.216 3.016 20 5 GGBDRO C[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000570087590 567456976 /nfs/dbraw/zinc/45/69/76/567456976.db2.gz RJUSCXJEZYNXJV-JQWIXIFHSA-N 1 0 390.221 3.104 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594199440 567464555 /nfs/dbraw/zinc/46/45/55/567464555.db2.gz ZKSKLDRTZMLXRT-JKSUJKDBSA-N 1 0 396.285 3.033 20 5 GGBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594196668 567465398 /nfs/dbraw/zinc/46/53/98/567465398.db2.gz LJZOOVOYOFYKMX-ZIAGYGMSSA-N 1 0 383.901 3.473 20 5 GGBDRO CN1CC[NH+](CCC(C)(C)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000619587464 567468349 /nfs/dbraw/zinc/46/83/49/567468349.db2.gz ZVSMHYUGQOJJTG-UHFFFAOYSA-N 1 0 385.306 3.185 20 5 GGBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1OC(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000503526112 567491431 /nfs/dbraw/zinc/49/14/31/567491431.db2.gz MMDJPAOGQHSFSF-ZEGGKSINSA-N 1 0 377.775 3.325 20 5 GGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000570526561 567492399 /nfs/dbraw/zinc/49/23/99/567492399.db2.gz ALUIUSCOFIZIMV-MRXNPFEDSA-N 1 0 380.853 3.299 20 5 GGBDRO CC(C)(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000570564528 567495987 /nfs/dbraw/zinc/49/59/87/567495987.db2.gz SXKALBRMFATWMV-ZDUSSCGKSA-N 1 0 387.267 3.026 20 5 GGBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)CC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000503985917 567516473 /nfs/dbraw/zinc/51/64/73/567516473.db2.gz YOUWMTLJPKWWNR-UHFFFAOYSA-N 1 0 391.921 3.296 20 5 GGBDRO Cc1c(Br)cc(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000458187129 567530299 /nfs/dbraw/zinc/53/02/99/567530299.db2.gz HYIWMKIHLXZCLH-GFCCVEGCSA-N 1 0 384.274 3.127 20 5 GGBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595223331 567548425 /nfs/dbraw/zinc/54/84/25/567548425.db2.gz ZXANQGPCVJEBHN-ZDUSSCGKSA-N 1 0 396.285 3.209 20 5 GGBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595223318 567548656 /nfs/dbraw/zinc/54/86/56/567548656.db2.gz ZXANQGPCVJEBHN-CYBMUJFWSA-N 1 0 396.285 3.209 20 5 GGBDRO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H](CO)C(C)(C)C ZINC000571366138 567556108 /nfs/dbraw/zinc/55/61/08/567556108.db2.gz YQVBNXXWHSSJPG-ZDUSSCGKSA-N 1 0 392.237 3.038 20 5 GGBDRO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H](CO)Cc1ccccc1 ZINC000595591049 567572664 /nfs/dbraw/zinc/57/26/64/567572664.db2.gz CIKUIIRQVYNNDB-MRXNPFEDSA-N 1 0 379.254 3.393 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000552337685 567579065 /nfs/dbraw/zinc/57/90/65/567579065.db2.gz XQAHDRLFHJGDJB-FZMZJTMJSA-N 1 0 396.285 3.365 20 5 GGBDRO CC[C@@H](C)[NH2+][C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccco1 ZINC000571708576 567583776 /nfs/dbraw/zinc/58/37/76/567583776.db2.gz JJPGAGHNIABNIO-MNOVXSKESA-N 1 0 387.483 3.194 20 5 GGBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000505663259 567590029 /nfs/dbraw/zinc/59/00/29/567590029.db2.gz YHLYOZMTQHBFFM-QGZVFWFLSA-N 1 0 383.901 3.285 20 5 GGBDRO O=[N+]([O-])c1cccc(Br)c1N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000596293964 567621282 /nfs/dbraw/zinc/62/12/82/567621282.db2.gz FAPIXVZEUVUXIK-CYBMUJFWSA-N 1 0 384.274 3.048 20 5 GGBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000572348468 567632264 /nfs/dbraw/zinc/63/22/64/567632264.db2.gz MZPOTTTXLDVJJM-BBRMVZONSA-N 1 0 384.274 3.080 20 5 GGBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000572348471 567633035 /nfs/dbraw/zinc/63/30/35/567633035.db2.gz MZPOTTTXLDVJJM-XJKSGUPXSA-N 1 0 384.274 3.080 20 5 GGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)cc1 ZINC000459685489 567650575 /nfs/dbraw/zinc/65/05/75/567650575.db2.gz ASVYDWNYLLTQAM-CQSZACIVSA-N 1 0 397.244 3.437 20 5 GGBDRO C[C@@H]1CSCCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000572608022 567652038 /nfs/dbraw/zinc/65/20/38/567652038.db2.gz QTMFCSOHPGOMRL-SECBINFHSA-N 1 0 378.235 3.137 20 5 GGBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000507081865 567658166 /nfs/dbraw/zinc/65/81/66/567658166.db2.gz BVFQJVAIEMMBGA-GOEBONIOSA-N 1 0 383.539 3.215 20 5 GGBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000507276650 567673153 /nfs/dbraw/zinc/67/31/53/567673153.db2.gz GFGFHSJHULWGAM-GFCCVEGCSA-N 1 0 389.905 3.037 20 5 GGBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000573116826 567689294 /nfs/dbraw/zinc/68/92/94/567689294.db2.gz CMEFVWYNNJBJAS-ZDUSSCGKSA-N 1 0 389.283 3.256 20 5 GGBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)n1 ZINC000481723595 567697981 /nfs/dbraw/zinc/69/79/81/567697981.db2.gz LMXALPYJIFRURU-OAHLLOKOSA-N 1 0 383.221 3.434 20 5 GGBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)n1 ZINC000481723594 567698862 /nfs/dbraw/zinc/69/88/62/567698862.db2.gz LMXALPYJIFRURU-HNNXBMFYSA-N 1 0 383.221 3.434 20 5 GGBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000554128685 567710782 /nfs/dbraw/zinc/71/07/82/567710782.db2.gz QFZDRTPXSUIFFU-HUBLWGQQSA-N 1 0 396.285 3.160 20 5 GGBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000597709743 567713078 /nfs/dbraw/zinc/71/30/78/567713078.db2.gz AUXTUXZOPZFWLB-QGZVFWFLSA-N 1 0 383.901 3.285 20 5 GGBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000597861906 567720529 /nfs/dbraw/zinc/72/05/29/567720529.db2.gz XYGSZXSNVRPKPM-NSHDSACASA-N 1 0 384.274 3.208 20 5 GGBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000597861904 567721480 /nfs/dbraw/zinc/72/14/80/567721480.db2.gz XYGSZXSNVRPKPM-LLVKDONJSA-N 1 0 384.274 3.208 20 5 GGBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000508207871 567736900 /nfs/dbraw/zinc/73/69/00/567736900.db2.gz YUNFAKWRFFMQIN-UHFFFAOYSA-N 1 0 384.274 3.305 20 5 GGBDRO CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[C@H]1CC[NH2+]C1 ZINC000573801956 567737487 /nfs/dbraw/zinc/73/74/87/567737487.db2.gz UZAPMLQDEMRYQK-LBPRGKRZSA-N 1 0 380.242 3.411 20 5 GGBDRO CC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CC1 ZINC000573819512 567737576 /nfs/dbraw/zinc/73/75/76/567737576.db2.gz AWKIXZWXJAENFL-UHFFFAOYSA-N 1 0 384.274 3.127 20 5 GGBDRO CCN(CCC[NH+]1CCCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000508218737 567737846 /nfs/dbraw/zinc/73/78/46/567737846.db2.gz ZDRGFINIEHOVAU-UHFFFAOYSA-N 1 0 398.301 3.234 20 5 GGBDRO O=C(NCCCCC[NH+]1CCCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000508221359 567737894 /nfs/dbraw/zinc/73/78/94/567737894.db2.gz WWLAHJBTYHSABV-UHFFFAOYSA-N 1 0 384.274 3.353 20 5 GGBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000598262884 567752447 /nfs/dbraw/zinc/75/24/47/567752447.db2.gz NHDAWBYIRNUYKL-CYBMUJFWSA-N 1 0 398.301 3.136 20 5 GGBDRO CCn1c(CC[NH3+])nnc1Sc1cc(C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000461961120 567757787 /nfs/dbraw/zinc/75/77/87/567757787.db2.gz WEDSFJIRGCYUBI-UHFFFAOYSA-N 1 0 375.376 3.186 20 5 GGBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000443504573 567764182 /nfs/dbraw/zinc/76/41/82/567764182.db2.gz YCYXAHNVLMIKHG-QWRGUYRKSA-N 1 0 379.258 3.434 20 5 GGBDRO C[C@@H]1CN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000443504572 567764363 /nfs/dbraw/zinc/76/43/63/567764363.db2.gz YCYXAHNVLMIKHG-MNOVXSKESA-N 1 0 379.258 3.434 20 5 GGBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(Br)cc1 ZINC000534134905 567801101 /nfs/dbraw/zinc/80/11/01/567801101.db2.gz XIFROHJWZBFMNN-UHFFFAOYSA-N 1 0 394.269 3.430 20 5 GGBDRO CC1CC[NH+](CCCNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000598974483 567801724 /nfs/dbraw/zinc/80/17/24/567801724.db2.gz PDDSIFUUMRRMLX-UHFFFAOYSA-N 1 0 384.274 3.209 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])c1ccsc1 ZINC000599035529 567803523 /nfs/dbraw/zinc/80/35/23/567803523.db2.gz MDYJRIXMDLSSDH-CYBMUJFWSA-N 1 0 398.282 3.452 20 5 GGBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599147913 567807818 /nfs/dbraw/zinc/80/78/18/567807818.db2.gz SZQZHORJQNZCJC-RYUDHWBXSA-N 1 0 384.274 3.208 20 5 GGBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599147912 567807985 /nfs/dbraw/zinc/80/79/85/567807985.db2.gz SZQZHORJQNZCJC-NWDGAFQWSA-N 1 0 384.274 3.208 20 5 GGBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599152104 567808097 /nfs/dbraw/zinc/80/80/97/567808097.db2.gz FMOSJDLIPWIXGQ-JHJVBQTASA-N 1 0 398.301 3.454 20 5 GGBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000047675773 570214199 /nfs/dbraw/zinc/21/41/99/570214199.db2.gz VMYWFMXVNVCACN-UHFFFAOYSA-N 1 0 385.468 3.117 20 5 GGBDRO COc1ccc([C@@H](CNC(=O)c2cccc(C)c2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000012878124 570275047 /nfs/dbraw/zinc/27/50/47/570275047.db2.gz AWXGPDCVNHOTIU-LJQANCHMSA-N 1 0 383.448 3.479 20 5 GGBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000738358430 598244059 /nfs/dbraw/zinc/24/40/59/598244059.db2.gz MCJIFFALFDBMOJ-UHFFFAOYSA-N 1 0 397.464 3.067 20 5 GGBDRO Cc1c(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)cccc1[N+](=O)[O-] ZINC000737211643 598248763 /nfs/dbraw/zinc/24/87/63/598248763.db2.gz NHYMAFHMYKYNHS-UHFFFAOYSA-N 1 0 394.435 3.127 20 5 GGBDRO C[C@@H]([NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000820414549 599370752 /nfs/dbraw/zinc/37/07/52/599370752.db2.gz ZBWVDOHWHDJCBT-CQSZACIVSA-N 1 0 393.451 3.095 20 5 GGBDRO C[C@H]([NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000820414548 599371173 /nfs/dbraw/zinc/37/11/73/599371173.db2.gz ZBWVDOHWHDJCBT-AWEZNQCLSA-N 1 0 393.451 3.095 20 5 GGBDRO CC(C)c1ccc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000820192373 599451754 /nfs/dbraw/zinc/45/17/54/599451754.db2.gz LIRNLHSNVQQSQF-UHFFFAOYSA-N 1 0 382.424 3.067 20 5 GGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820571092 599571251 /nfs/dbraw/zinc/57/12/51/599571251.db2.gz VMXVBHJNACJFCE-CQSZACIVSA-N 1 0 394.435 3.379 20 5 GGBDRO CCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821104487 606314903 /nfs/dbraw/zinc/31/49/03/606314903.db2.gz FVWHMRFYWFYMCH-UHFFFAOYSA-N 1 0 393.407 3.328 20 5 GGBDRO O=[N+]([O-])c1cc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)ccc1-c1nn[nH]n1 ZINC000823634193 606645257 /nfs/dbraw/zinc/64/52/57/606645257.db2.gz CJVKVVZLFOBDQO-KRWDZBQOSA-N 1 0 379.424 3.024 20 5 GGBDRO O=[N+]([O-])c1cccc(C[N@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)C2CC2)c1 ZINC000823647936 607176776 /nfs/dbraw/zinc/17/67/76/607176776.db2.gz QIXRSOKRUYWWGH-UHFFFAOYSA-N 1 0 394.435 3.208 20 5 GGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824412848 609247923 /nfs/dbraw/zinc/24/79/23/609247923.db2.gz GWNKUKRSUTUFGU-CQSZACIVSA-N 1 0 378.436 3.375 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000053233886 1406337362 /nfs/dbraw/zinc/33/73/62/1406337362.db2.gz VREBHNUHJDBLKK-FPOVZHCZSA-N 1 0 386.448 3.016 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1OC ZINC000053273882 1406351620 /nfs/dbraw/zinc/35/16/20/1406351620.db2.gz BHQMBHQNMRNDSQ-CQSZACIVSA-N 1 0 393.465 3.096 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1OC ZINC000053273879 1406352319 /nfs/dbraw/zinc/35/23/19/1406352319.db2.gz BHQMBHQNMRNDSQ-AWEZNQCLSA-N 1 0 393.465 3.096 20 5 GGBDRO C[N@@H+](Cc1ccccc1N1CCCC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000053419984 1406390631 /nfs/dbraw/zinc/39/06/31/1406390631.db2.gz XVRHFXCTNBOYEK-IBGZPJMESA-N 1 0 385.464 3.067 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)NCC[NH+]2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000053514619 1406421869 /nfs/dbraw/zinc/42/18/69/1406421869.db2.gz OSTJQFVRVHPRGG-INIZCTEOSA-N 1 0 397.479 3.379 20 5 GGBDRO Cc1ccc(OCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c([N+](=O)[O-])c1 ZINC000053572130 1406447024 /nfs/dbraw/zinc/44/70/24/1406447024.db2.gz XEKAKZGZHXOKEN-UHFFFAOYSA-N 1 0 397.475 3.371 20 5 GGBDRO CNC(=O)c1ccc(NC2CC[NH+](Cc3ccccc3C)CC2)c([N+](=O)[O-])c1 ZINC000053573038 1406447950 /nfs/dbraw/zinc/44/79/50/1406447950.db2.gz ZMEJBXIWWMLLMI-UHFFFAOYSA-N 1 0 382.464 3.339 20 5 GGBDRO CC[NH+]1CCC(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000053793130 1406512968 /nfs/dbraw/zinc/51/29/68/1406512968.db2.gz CLAURRYXDNRZQO-HNNXBMFYSA-N 1 0 397.479 3.377 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000053811650 1406520613 /nfs/dbraw/zinc/52/06/13/1406520613.db2.gz CSQLSDOJIHLCLO-INIZCTEOSA-N 1 0 399.495 3.380 20 5 GGBDRO Cc1cc(OCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000053920354 1406557478 /nfs/dbraw/zinc/55/74/78/1406557478.db2.gz YNHUIQPGVZXVFU-UHFFFAOYSA-N 1 0 383.448 3.063 20 5 GGBDRO COc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)[NH+]2CCCC2)cc1 ZINC000054057129 1406605393 /nfs/dbraw/zinc/60/53/93/1406605393.db2.gz SYZGKKVOGCQDOZ-IBGZPJMESA-N 1 0 387.411 3.309 20 5 GGBDRO C[C@H]1CCC[C@@](CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)([NH+](C)C)C1 ZINC000054140770 1406628851 /nfs/dbraw/zinc/62/88/51/1406628851.db2.gz SEGCESNBYQIMDR-YCRPNKLZSA-N 1 0 399.495 3.236 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000054147911 1406631301 /nfs/dbraw/zinc/63/13/01/1406631301.db2.gz KSOUGNKTPSEZST-UHFFFAOYSA-N 1 0 385.420 3.220 20 5 GGBDRO C[N@H+](CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)Cc1ccccc1 ZINC000054281606 1406677653 /nfs/dbraw/zinc/67/76/53/1406677653.db2.gz FXLAEORTSNIRNP-UHFFFAOYSA-N 1 0 396.491 3.059 20 5 GGBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000054287628 1406681593 /nfs/dbraw/zinc/68/15/93/1406681593.db2.gz UTESHZKBDFREEH-OAHLLOKOSA-N 1 0 385.468 3.021 20 5 GGBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000054287629 1406682051 /nfs/dbraw/zinc/68/20/51/1406682051.db2.gz UTESHZKBDFREEH-HNNXBMFYSA-N 1 0 385.468 3.021 20 5 GGBDRO O=C(NC1CC1)c1ccc(NC[C@@H](c2ccco2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000054359279 1406700680 /nfs/dbraw/zinc/70/06/80/1406700680.db2.gz QRSBJGBSJKLYOI-SFHVURJKSA-N 1 0 384.436 3.329 20 5 GGBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054382378 1406709874 /nfs/dbraw/zinc/70/98/74/1406709874.db2.gz XAMWPDJJFGIQLV-UHFFFAOYSA-N 1 0 397.479 3.019 20 5 GGBDRO CC(=O)Nc1cccc2c1CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000054389935 1406714621 /nfs/dbraw/zinc/71/46/21/1406714621.db2.gz ZBZRVALYZPBZTB-UHFFFAOYSA-N 1 0 396.447 3.249 20 5 GGBDRO Cc1c(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000054573802 1406772523 /nfs/dbraw/zinc/77/25/23/1406772523.db2.gz LGVPZUSNFZSAHH-UHFFFAOYSA-N 1 0 396.491 3.235 20 5 GGBDRO CC[NH+](CC)Cc1cccc(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000054647347 1406795224 /nfs/dbraw/zinc/79/52/24/1406795224.db2.gz PDZCSESWAQZLAQ-UHFFFAOYSA-N 1 0 384.480 3.479 20 5 GGBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000054645688 1406795264 /nfs/dbraw/zinc/79/52/64/1406795264.db2.gz WXZYUDJSJUPLPQ-QGZVFWFLSA-N 1 0 388.493 3.335 20 5 GGBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000054645951 1406795303 /nfs/dbraw/zinc/79/53/03/1406795303.db2.gz GXOPTSLZBIEMDY-GOSISDBHSA-N 1 0 386.452 3.257 20 5 GGBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000055006652 1406868464 /nfs/dbraw/zinc/86/84/64/1406868464.db2.gz JKENZSIDPFBVMN-LJQANCHMSA-N 1 0 383.448 3.317 20 5 GGBDRO O=C(Nc1ccccc1)NC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000055032626 1406874517 /nfs/dbraw/zinc/87/45/17/1406874517.db2.gz NVTLPUNOTBNJAY-UHFFFAOYSA-N 1 0 384.436 3.260 20 5 GGBDRO O=C(NC1CCCCC1)NC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000055029962 1406873498 /nfs/dbraw/zinc/87/34/98/1406873498.db2.gz LKCTZVSRWSCHTL-UHFFFAOYSA-N 1 0 390.484 3.070 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(COc3ccccc3)CC2)c1 ZINC000055082175 1406882266 /nfs/dbraw/zinc/88/22/66/1406882266.db2.gz SATZCNVEYJRDDG-IBGZPJMESA-N 1 0 386.448 3.126 20 5 GGBDRO O=[N+]([O-])c1c(N2CC[NH+](Cc3cccc4cccnc43)CC2)nc2sccn21 ZINC000055357372 1406939274 /nfs/dbraw/zinc/93/92/74/1406939274.db2.gz QSASTKJYVGQODP-UHFFFAOYSA-N 1 0 394.460 3.174 20 5 GGBDRO C[N@@H+]1CCCN(c2ccc(NC(=O)CCOc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000055417818 1406955838 /nfs/dbraw/zinc/95/58/38/1406955838.db2.gz CAMIOKVZKXIIPA-UHFFFAOYSA-N 1 0 398.463 3.144 20 5 GGBDRO C[NH+](C)Cc1ccccc1CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000006992975 1398582571 /nfs/dbraw/zinc/58/25/71/1398582571.db2.gz TYOXLUYANJOXDE-UHFFFAOYSA-N 1 0 396.491 3.189 20 5 GGBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000007258416 1398641274 /nfs/dbraw/zinc/64/12/74/1398641274.db2.gz ZUMKJXVDYPMJPP-UHFFFAOYSA-N 1 0 384.480 3.433 20 5 GGBDRO CC[NH+](CC)[C@@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000007980109 1398785709 /nfs/dbraw/zinc/78/57/09/1398785709.db2.gz WUZUTTRKPIGRLS-IBGZPJMESA-N 1 0 391.493 3.493 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000008169804 1398810228 /nfs/dbraw/zinc/81/02/28/1398810228.db2.gz JKNAJAQDXFXPEJ-QGZVFWFLSA-N 1 0 388.512 3.192 20 5 GGBDRO C[N@H+](CCCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000009919867 1398870737 /nfs/dbraw/zinc/87/07/37/1398870737.db2.gz YVUCARPPTKPBLS-UHFFFAOYSA-N 1 0 396.491 3.447 20 5 GGBDRO CC1(C)CC(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC(C)(C)[NH2+]1 ZINC000010558245 1398900745 /nfs/dbraw/zinc/90/07/45/1398900745.db2.gz JLQNHPGFVWGWDJ-UHFFFAOYSA-N 1 0 388.512 3.237 20 5 GGBDRO O=[N+]([O-])c1ccc(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c2nonc21 ZINC000011380767 1398975294 /nfs/dbraw/zinc/97/52/94/1398975294.db2.gz OQTFIUYCRBQQHL-UHFFFAOYSA-N 1 0 387.827 3.497 20 5 GGBDRO CC1CC[NH+](CCCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000011714170 1399007497 /nfs/dbraw/zinc/00/74/97/1399007497.db2.gz HUALBNUEUHEQGL-UHFFFAOYSA-N 1 0 388.512 3.049 20 5 GGBDRO Cc1nn(Cc2ccc(C(=O)NCCC[NH+]3CCCCC3)cc2)c(C)c1[N+](=O)[O-] ZINC000011713414 1399007743 /nfs/dbraw/zinc/00/77/43/1399007743.db2.gz UQGVWWITSCZYMT-UHFFFAOYSA-N 1 0 399.495 3.062 20 5 GGBDRO CC1CCN(c2ccc(C(=O)NC3CC[NH+](C4CC4)CC3)cc2[N+](=O)[O-])CC1 ZINC000014528349 1399109299 /nfs/dbraw/zinc/10/92/99/1399109299.db2.gz SPULWSDJVYBSAG-UHFFFAOYSA-N 1 0 386.496 3.188 20 5 GGBDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000014739180 1399117798 /nfs/dbraw/zinc/11/77/98/1399117798.db2.gz WZGPRDTUVMHNIJ-UHFFFAOYSA-N 1 0 398.463 3.227 20 5 GGBDRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000015593520 1399175476 /nfs/dbraw/zinc/17/54/76/1399175476.db2.gz PIBKGSCCPOTTTH-SFHVURJKSA-N 1 0 380.448 3.173 20 5 GGBDRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000015593519 1399175592 /nfs/dbraw/zinc/17/55/92/1399175592.db2.gz PIBKGSCCPOTTTH-GOSISDBHSA-N 1 0 380.448 3.173 20 5 GGBDRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000015614091 1399177652 /nfs/dbraw/zinc/17/76/52/1399177652.db2.gz MVMFQDKVTDLUKK-UHFFFAOYSA-N 1 0 398.419 3.419 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000016599304 1399252198 /nfs/dbraw/zinc/25/21/98/1399252198.db2.gz AHSQSBHJSLNZBK-FQEVSTJZSA-N 1 0 382.464 3.228 20 5 GGBDRO COc1ccc([C@@H](CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000017911346 1399294265 /nfs/dbraw/zinc/29/42/65/1399294265.db2.gz PDJMDMXYABCTDH-HXUWFJFHSA-N 1 0 383.448 3.479 20 5 GGBDRO COc1ccc([C@@H](CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000017911576 1399295027 /nfs/dbraw/zinc/29/50/27/1399295027.db2.gz FTYJNAHNOPPYHF-LJQANCHMSA-N 1 0 399.447 3.179 20 5 GGBDRO COc1cccc([C@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000018016951 1399296677 /nfs/dbraw/zinc/29/66/77/1399296677.db2.gz MJSXETDASMUVLP-FQEVSTJZSA-N 1 0 398.463 3.210 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000022682047 1399490406 /nfs/dbraw/zinc/49/04/06/1399490406.db2.gz WEACRODCUBHZCF-LJQANCHMSA-N 1 0 396.491 3.098 20 5 GGBDRO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000022700559 1399492918 /nfs/dbraw/zinc/49/29/18/1399492918.db2.gz QUKIGFBWPWHPQC-FQEVSTJZSA-N 1 0 385.464 3.345 20 5 GGBDRO COc1ccccc1[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000023692063 1399579700 /nfs/dbraw/zinc/57/97/00/1399579700.db2.gz WLPWUBMYZXTPBF-IBGZPJMESA-N 1 0 383.448 3.099 20 5 GGBDRO O=[N+]([O-])c1ccc(NCCN2CC[NH+](Cc3ccccc3)CC2)c2ncccc12 ZINC000024058290 1399599168 /nfs/dbraw/zinc/59/91/68/1399599168.db2.gz JNGZGMWVNJRDCP-UHFFFAOYSA-N 1 0 391.475 3.373 20 5 GGBDRO COc1cc(C)c(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000024805156 1399674119 /nfs/dbraw/zinc/67/41/19/1399674119.db2.gz DBIAIBQATKYPEM-UHFFFAOYSA-N 1 0 387.436 3.381 20 5 GGBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c1 ZINC000024926670 1399694778 /nfs/dbraw/zinc/69/47/78/1399694778.db2.gz OOLHDTUETHXQCT-UHFFFAOYSA-N 1 0 394.435 3.270 20 5 GGBDRO Cc1cccc(N2CC[NH+](CCCNC(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)c1 ZINC000025226602 1399775347 /nfs/dbraw/zinc/77/53/47/1399775347.db2.gz XDDRMPJFAIKZHA-UHFFFAOYSA-N 1 0 396.491 3.154 20 5 GGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000025499726 1399813726 /nfs/dbraw/zinc/81/37/26/1399813726.db2.gz NLMKSSYEBGXHHW-MRXNPFEDSA-N 1 0 395.381 3.445 20 5 GGBDRO CSc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000025630355 1399824522 /nfs/dbraw/zinc/82/45/22/1399824522.db2.gz GPEDIUAGVLFODP-CQSZACIVSA-N 1 0 385.489 3.493 20 5 GGBDRO CC(C)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000025917290 1399846165 /nfs/dbraw/zinc/84/61/65/1399846165.db2.gz NHYZLHUNCNIQLX-OAQYLSRUSA-N 1 0 381.476 3.336 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CCC[N@H+](Cc4ccccc4)CC3)n2)c1 ZINC000025934258 1399848158 /nfs/dbraw/zinc/84/81/58/1399848158.db2.gz QYVJECSRQJHACY-UHFFFAOYSA-N 1 0 393.447 3.353 20 5 GGBDRO CCOc1ccccc1N1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000026162057 1399865096 /nfs/dbraw/zinc/86/50/96/1399865096.db2.gz AKBNNHWGTWZAFF-UHFFFAOYSA-N 1 0 398.463 3.144 20 5 GGBDRO O=C(CC[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000026218697 1399870696 /nfs/dbraw/zinc/87/06/96/1399870696.db2.gz WYRAXGAXTKAMLG-UHFFFAOYSA-N 1 0 388.855 3.399 20 5 GGBDRO COc1ccc(NC(=O)CC[NH+]2CCN(c3ccccc3C)CC2)c([N+](=O)[O-])c1 ZINC000026230013 1399871405 /nfs/dbraw/zinc/87/14/05/1399871405.db2.gz RJFZZZNEJPZCIY-UHFFFAOYSA-N 1 0 398.463 3.063 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH+](Cc2cccs2)CC1 ZINC000026257095 1399874217 /nfs/dbraw/zinc/87/42/17/1399874217.db2.gz TZMBRLHAZQTUQN-UHFFFAOYSA-N 1 0 388.493 3.111 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCOc1ccc(F)cc1 ZINC000026336794 1399879009 /nfs/dbraw/zinc/87/90/09/1399879009.db2.gz OFLMIBBNJINFFX-UHFFFAOYSA-N 1 0 375.400 3.382 20 5 GGBDRO Cc1cc(OCC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000026332642 1399879075 /nfs/dbraw/zinc/87/90/75/1399879075.db2.gz KGLUXQNBFQRCQU-UHFFFAOYSA-N 1 0 383.448 3.017 20 5 GGBDRO COc1ccc(NC(=O)CC[N@H+](C)CCOc2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000026337239 1399879541 /nfs/dbraw/zinc/87/95/41/1399879541.db2.gz UGBSDAOPQQTEQQ-UHFFFAOYSA-N 1 0 387.436 3.251 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCOc1cccc(C)c1 ZINC000026337236 1399879618 /nfs/dbraw/zinc/87/96/18/1399879618.db2.gz AKGIWJWQKFCULN-UHFFFAOYSA-N 1 0 387.436 3.251 20 5 GGBDRO C[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026712806 1399924920 /nfs/dbraw/zinc/92/49/20/1399924920.db2.gz HGGFPNXVXJSDCU-HNNXBMFYSA-N 1 0 382.363 3.068 20 5 GGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)c1 ZINC000026857104 1399942480 /nfs/dbraw/zinc/94/24/80/1399942480.db2.gz VMKHCVBNUCSHJX-UHFFFAOYSA-N 1 0 386.477 3.321 20 5 GGBDRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000027333924 1400019624 /nfs/dbraw/zinc/01/96/24/1400019624.db2.gz XTSGZAYQRJEUHE-LJQANCHMSA-N 1 0 398.463 3.355 20 5 GGBDRO CNc1ccc(C(=O)NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000027340515 1400021340 /nfs/dbraw/zinc/02/13/40/1400021340.db2.gz QCGQQHPPJSMASD-HXUWFJFHSA-N 1 0 398.463 3.212 20 5 GGBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000055758880 1407076949 /nfs/dbraw/zinc/07/69/49/1407076949.db2.gz RMKWTPIYOLREFK-BZUAXINKSA-N 1 0 399.495 3.092 20 5 GGBDRO COc1ccccc1[C@H](CNC(=O)c1ccc(C)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000027569770 1400058944 /nfs/dbraw/zinc/05/89/44/1400058944.db2.gz DCABCWVSPYBZSR-IBGZPJMESA-N 1 0 383.448 3.479 20 5 GGBDRO COc1ccccc1[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000055752066 1407074370 /nfs/dbraw/zinc/07/43/70/1407074370.db2.gz PGTNUTAKBAUCQC-HXUWFJFHSA-N 1 0 397.475 3.489 20 5 GGBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000027807457 1400094794 /nfs/dbraw/zinc/09/47/94/1400094794.db2.gz CKSSDXXJWUYDJL-UHFFFAOYSA-N 1 0 385.420 3.095 20 5 GGBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000027807404 1400095271 /nfs/dbraw/zinc/09/52/71/1400095271.db2.gz QRHWHOMWYZDLFL-UHFFFAOYSA-N 1 0 385.420 3.095 20 5 GGBDRO CCOc1ccc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000027928575 1400106629 /nfs/dbraw/zinc/10/66/29/1400106629.db2.gz DYAYOORRTFWKKO-UHFFFAOYSA-N 1 0 397.475 3.430 20 5 GGBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H](c2cccs2)[NH+](C)C)c1[N+](=O)[O-] ZINC000028619952 1400177753 /nfs/dbraw/zinc/17/77/53/1400177753.db2.gz AAJHFJSGFCSJGK-CYBMUJFWSA-N 1 0 380.426 3.080 20 5 GGBDRO Cc1ccccc1C[NH+]1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000028740592 1400190991 /nfs/dbraw/zinc/19/09/91/1400190991.db2.gz XAAXXLIXPJLFPB-UHFFFAOYSA-N 1 0 394.475 3.118 20 5 GGBDRO Cc1cccc(C[NH+]2CCN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])CC2)c1 ZINC000028740563 1400191017 /nfs/dbraw/zinc/19/10/17/1400191017.db2.gz NCIZFZXFCGYMNH-UHFFFAOYSA-N 1 0 394.475 3.118 20 5 GGBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1OC(F)F ZINC000028922051 1400211765 /nfs/dbraw/zinc/21/17/65/1400211765.db2.gz LYKWUCNPANLCSQ-TZMCWYRMSA-N 1 0 382.363 3.287 20 5 GGBDRO COc1cc(CN2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000028967282 1400217484 /nfs/dbraw/zinc/21/74/84/1400217484.db2.gz MCAYYCMZZMZCQR-UHFFFAOYSA-N 1 0 385.411 3.265 20 5 GGBDRO O=c1[nH]cnc2cc(NC[C@@H](c3ccco3)[NH+]3CCCCC3)c([N+](=O)[O-])cc12 ZINC000029187159 1400255888 /nfs/dbraw/zinc/25/58/88/1400255888.db2.gz KTQOVIZMMXIEIK-KRWDZBQOSA-N 1 0 383.408 3.063 20 5 GGBDRO CC[NH+]1CCC(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000029606777 1400322288 /nfs/dbraw/zinc/32/22/88/1400322288.db2.gz AXFAMTAQKQGBRL-HZPDHXFCSA-N 1 0 388.512 3.291 20 5 GGBDRO CSc1ccc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000029837720 1400360258 /nfs/dbraw/zinc/36/02/58/1400360258.db2.gz WVBOBGCYNKLVSX-UHFFFAOYSA-N 1 0 385.489 3.495 20 5 GGBDRO Cc1ccc(S(=O)(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000030008189 1400397344 /nfs/dbraw/zinc/39/73/44/1400397344.db2.gz WAINCBOXAHUSRX-SFHVURJKSA-N 1 0 389.477 3.019 20 5 GGBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1N1CCOCC1 ZINC000055899971 1407124708 /nfs/dbraw/zinc/12/47/08/1407124708.db2.gz MXNKVANLTJBEOT-UHFFFAOYSA-N 1 0 385.464 3.332 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)cc1OC ZINC000056043240 1407181432 /nfs/dbraw/zinc/18/14/32/1407181432.db2.gz HVRPQRHYLBJWNT-UHFFFAOYSA-N 1 0 393.484 3.196 20 5 GGBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000056043027 1407181567 /nfs/dbraw/zinc/18/15/67/1407181567.db2.gz VFROIWCBEBPGJT-UHFFFAOYSA-N 1 0 378.429 3.005 20 5 GGBDRO Cc1c(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000056043023 1407181589 /nfs/dbraw/zinc/18/15/89/1407181589.db2.gz JJHJSHJQWLCCOV-UHFFFAOYSA-N 1 0 378.429 3.005 20 5 GGBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1 ZINC000056129764 1407216881 /nfs/dbraw/zinc/21/68/81/1407216881.db2.gz GHWFVJSYGMVTNR-UHFFFAOYSA-N 1 0 395.525 3.013 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000056196083 1407247521 /nfs/dbraw/zinc/24/75/21/1407247521.db2.gz WUTKOLALIBIZBK-JKSUJKDBSA-N 1 0 398.463 3.109 20 5 GGBDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000056325823 1407298038 /nfs/dbraw/zinc/29/80/38/1407298038.db2.gz FUSHKSKMHOVTRK-UHFFFAOYSA-N 1 0 384.392 3.394 20 5 GGBDRO C[C@@H](NC(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000056382871 1407316464 /nfs/dbraw/zinc/31/64/64/1407316464.db2.gz VLKFQUKAQOYHPE-JKSUJKDBSA-N 1 0 382.464 3.402 20 5 GGBDRO C[C@@H](NC(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000056421668 1407326562 /nfs/dbraw/zinc/32/65/62/1407326562.db2.gz AGLIFFDVKREROO-OAHLLOKOSA-N 1 0 383.452 3.015 20 5 GGBDRO O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000056479082 1407344346 /nfs/dbraw/zinc/34/43/46/1407344346.db2.gz WRZZFIWRWYKLIQ-UHFFFAOYSA-N 1 0 394.475 3.308 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000056479084 1407344558 /nfs/dbraw/zinc/34/45/58/1407344558.db2.gz VWKOFNYWFAVRLN-UHFFFAOYSA-N 1 0 394.475 3.308 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000043126943 1403712544 /nfs/dbraw/zinc/71/25/44/1403712544.db2.gz UXRINNDMVCJWLF-INIZCTEOSA-N 1 0 376.388 3.167 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000043148878 1403720480 /nfs/dbraw/zinc/72/04/80/1403720480.db2.gz ARZGCCVKVOLBEP-UHFFFAOYSA-N 1 0 378.498 3.386 20 5 GGBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000043489931 1403772487 /nfs/dbraw/zinc/77/24/87/1403772487.db2.gz AXSSLXFYKDLWPT-UHFFFAOYSA-N 1 0 397.479 3.319 20 5 GGBDRO C[N@@H+](Cc1ccccc1C(F)(F)F)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000043644405 1403795715 /nfs/dbraw/zinc/79/57/15/1403795715.db2.gz QOHXWKZMSHOWPK-HNNXBMFYSA-N 1 0 384.354 3.485 20 5 GGBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000045296471 1404092967 /nfs/dbraw/zinc/09/29/67/1404092967.db2.gz DJUHQVDKHSEWLI-UHFFFAOYSA-N 1 0 381.436 3.243 20 5 GGBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000045457888 1404125448 /nfs/dbraw/zinc/12/54/48/1404125448.db2.gz FBCHGFHSBKHSLF-FQEVSTJZSA-N 1 0 382.464 3.111 20 5 GGBDRO CCOc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000045498857 1404133027 /nfs/dbraw/zinc/13/30/27/1404133027.db2.gz YMNUWGUYVZACBF-OAHLLOKOSA-N 1 0 383.448 3.170 20 5 GGBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000045528237 1404139321 /nfs/dbraw/zinc/13/93/21/1404139321.db2.gz OYCXEZJSFNVOHV-IBGZPJMESA-N 1 0 382.464 3.178 20 5 GGBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000045756083 1404195887 /nfs/dbraw/zinc/19/58/87/1404195887.db2.gz NPRFQERUFSWOFZ-UHFFFAOYSA-N 1 0 389.843 3.429 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cc1OC ZINC000045775000 1404200293 /nfs/dbraw/zinc/20/02/93/1404200293.db2.gz UPIBWFVSSMXPOF-KRWDZBQOSA-N 1 0 393.484 3.242 20 5 GGBDRO Cc1ccccc1C[NH+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000045799584 1404207872 /nfs/dbraw/zinc/20/78/72/1404207872.db2.gz BGXHYCHQPMTMEP-UHFFFAOYSA-N 1 0 382.464 3.050 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045806525 1404210229 /nfs/dbraw/zinc/21/02/29/1404210229.db2.gz SUKRJABPXBKDET-UHFFFAOYSA-N 1 0 388.512 3.430 20 5 GGBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045812605 1404212276 /nfs/dbraw/zinc/21/22/76/1404212276.db2.gz WLHMENITGJFGOE-UHFFFAOYSA-N 1 0 395.525 3.180 20 5 GGBDRO COc1ccccc1[C@@H](CNC(=O)c1cccc(C)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000045820107 1404214985 /nfs/dbraw/zinc/21/49/85/1404214985.db2.gz XPIUJBZZWGBJMM-GOSISDBHSA-N 1 0 383.448 3.479 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000046033786 1404280460 /nfs/dbraw/zinc/28/04/60/1404280460.db2.gz NDRITKOYFZIVKR-SFHVURJKSA-N 1 0 389.477 3.019 20 5 GGBDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000046120901 1404303974 /nfs/dbraw/zinc/30/39/74/1404303974.db2.gz PPEOPODJGWBFEJ-UHFFFAOYSA-N 1 0 397.479 3.054 20 5 GGBDRO COc1ccc(CSCC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000046593679 1404496540 /nfs/dbraw/zinc/49/65/40/1404496540.db2.gz XELRVPIULGBMMG-CABCVRRESA-N 1 0 395.525 3.216 20 5 GGBDRO CCOc1cc(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000046991508 1404665098 /nfs/dbraw/zinc/66/50/98/1404665098.db2.gz QJPUJZSHPTWXFX-OAHLLOKOSA-N 1 0 393.484 3.244 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000046991584 1404665708 /nfs/dbraw/zinc/66/57/08/1404665708.db2.gz GGOKRXBCDXOFQZ-OAHLLOKOSA-N 1 0 393.484 3.244 20 5 GGBDRO CCOc1cc(C(=O)NCCCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])cc1OC ZINC000047016715 1404676475 /nfs/dbraw/zinc/67/64/75/1404676475.db2.gz GRABVFBYNSRZBS-UHFFFAOYSA-N 1 0 393.484 3.244 20 5 GGBDRO CCOC(=O)c1cc(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000047214906 1404750358 /nfs/dbraw/zinc/75/03/58/1404750358.db2.gz GGDAVDDEBHTDNS-HNNXBMFYSA-N 1 0 391.468 3.156 20 5 GGBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000047214087 1404750378 /nfs/dbraw/zinc/75/03/78/1404750378.db2.gz DVYBEKQKFPDIAF-QGZVFWFLSA-N 1 0 388.512 3.437 20 5 GGBDRO CCOC(=O)c1cc(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000047214910 1404750468 /nfs/dbraw/zinc/75/04/68/1404750468.db2.gz GGDAVDDEBHTDNS-OAHLLOKOSA-N 1 0 391.468 3.156 20 5 GGBDRO NC(=O)CNC(=O)c1ccc(C[NH2+]Cc2c3ccccc3cc3ccccc32)cc1 ZINC000047799110 1404951746 /nfs/dbraw/zinc/95/17/46/1404951746.db2.gz MLJDRBTZQHROJS-UHFFFAOYSA-N 1 0 397.478 3.498 20 5 GGBDRO COc1ccc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000048045820 1405031931 /nfs/dbraw/zinc/03/19/31/1405031931.db2.gz PAJHUQQURIMSQD-OAHLLOKOSA-N 1 0 375.469 3.074 20 5 GGBDRO C[NH+](C)C1(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CCCC1 ZINC000048216935 1405102417 /nfs/dbraw/zinc/10/24/17/1405102417.db2.gz RBBCOJIOSCRLNQ-UHFFFAOYSA-N 1 0 389.374 3.140 20 5 GGBDRO CC1CC[NH+](Cc2csc(=NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)[nH]2)CC1 ZINC000048316224 1405142432 /nfs/dbraw/zinc/14/24/32/1405142432.db2.gz PRMPDRQOBWUQTR-UHFFFAOYSA-N 1 0 399.476 3.439 20 5 GGBDRO Nc1c(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cccc1[N+](=O)[O-] ZINC000176275900 1428215436 /nfs/dbraw/zinc/21/54/36/1428215436.db2.gz GDAGSSLEITWTGW-UHFFFAOYSA-N 1 0 386.477 3.021 20 5 GGBDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000048849783 1405306819 /nfs/dbraw/zinc/30/68/19/1405306819.db2.gz LEZILNXQWOLBIV-LJQANCHMSA-N 1 0 398.463 3.041 20 5 GGBDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000048850799 1405308084 /nfs/dbraw/zinc/30/80/84/1405308084.db2.gz JDCLSFIXSDRETD-LJQANCHMSA-N 1 0 398.463 3.041 20 5 GGBDRO Cc1c(NC(=O)CCN2CC[NH+](CC3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000049981976 1405441194 /nfs/dbraw/zinc/44/11/94/1405441194.db2.gz WNBLKXMKAFRYOO-UHFFFAOYSA-N 1 0 388.512 3.430 20 5 GGBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000050029942 1405457756 /nfs/dbraw/zinc/45/77/56/1405457756.db2.gz YTVRBDCWAPVYFY-GOSISDBHSA-N 1 0 382.464 3.035 20 5 GGBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000051321916 1405786117 /nfs/dbraw/zinc/78/61/17/1405786117.db2.gz DZMIUDILGBZSPR-UHFFFAOYSA-N 1 0 384.436 3.056 20 5 GGBDRO Cc1cc(N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c2ccccc2[nH+]1 ZINC000052103047 1405935357 /nfs/dbraw/zinc/93/53/57/1405935357.db2.gz HNAOYKSPZPGLBV-UHFFFAOYSA-N 1 0 382.445 3.475 20 5 GGBDRO CC[NH+](CC)Cc1cccc(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000052427843 1406047607 /nfs/dbraw/zinc/04/76/07/1406047607.db2.gz WWUYZNVCUDOJPA-UHFFFAOYSA-N 1 0 391.493 3.452 20 5 GGBDRO C[C@H](CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000052641349 1406103560 /nfs/dbraw/zinc/10/35/60/1406103560.db2.gz MOUDGYREQHQHHK-GFCCVEGCSA-N 1 0 388.390 3.016 20 5 GGBDRO Cn1cc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000052931104 1406234059 /nfs/dbraw/zinc/23/40/59/1406234059.db2.gz YJJKMRXADNGZHF-UHFFFAOYSA-N 1 0 385.468 3.034 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)NCC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000052937284 1406236558 /nfs/dbraw/zinc/23/65/58/1406236558.db2.gz FPXGNHRDSDHKPQ-HNNXBMFYSA-N 1 0 399.495 3.481 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)NCC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000052937289 1406236723 /nfs/dbraw/zinc/23/67/23/1406236723.db2.gz FPXGNHRDSDHKPQ-OAHLLOKOSA-N 1 0 399.495 3.481 20 5 GGBDRO O=[N+]([O-])c1cccnc1Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000057151079 1407536502 /nfs/dbraw/zinc/53/65/02/1407536502.db2.gz JRDMATOSJZTGQG-UHFFFAOYSA-N 1 0 390.447 3.451 20 5 GGBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000057177726 1407547369 /nfs/dbraw/zinc/54/73/69/1407547369.db2.gz FFTMWKAHKUXFFV-UHFFFAOYSA-N 1 0 399.495 3.332 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000057554829 1407647691 /nfs/dbraw/zinc/64/76/91/1407647691.db2.gz ZRJJOYQMYAAXKO-GOEBONIOSA-N 1 0 395.463 3.129 20 5 GGBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)cc2[N+](=O)[O-])C1 ZINC000057553377 1407648313 /nfs/dbraw/zinc/64/83/13/1407648313.db2.gz UYUBMOXTSOEPEE-HLLBOEOZSA-N 1 0 386.496 3.044 20 5 GGBDRO C[C@@H](CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000057715344 1407698586 /nfs/dbraw/zinc/69/85/86/1407698586.db2.gz BJQYDGFGHHRVMG-NSHDSACASA-N 1 0 388.390 3.015 20 5 GGBDRO C[N@@H+](Cc1ccccc1)CC1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000057843765 1407736141 /nfs/dbraw/zinc/73/61/41/1407736141.db2.gz OFRFECLCPNDRHN-UHFFFAOYSA-N 1 0 396.491 3.377 20 5 GGBDRO C[NH+](C)CCn1cc(Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])cn1 ZINC000057854565 1407739211 /nfs/dbraw/zinc/73/92/11/1407739211.db2.gz OYDXLKISUJTYKR-UHFFFAOYSA-N 1 0 379.420 3.328 20 5 GGBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000058297247 1407808458 /nfs/dbraw/zinc/80/84/58/1407808458.db2.gz KQVCVMWEBPURHO-MRXNPFEDSA-N 1 0 385.468 3.022 20 5 GGBDRO C[N@@H+]1CCCN(CCCNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000058434999 1407827523 /nfs/dbraw/zinc/82/75/23/1407827523.db2.gz VXCIOHRBUBKHMP-UHFFFAOYSA-N 1 0 396.491 3.265 20 5 GGBDRO COc1cc(C[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)ccc1SC ZINC000058528843 1407840967 /nfs/dbraw/zinc/84/09/67/1407840967.db2.gz OZLPRRARHLDFLZ-INIZCTEOSA-N 1 0 392.477 3.197 20 5 GGBDRO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000060167923 1407945029 /nfs/dbraw/zinc/94/50/29/1407945029.db2.gz CUXPRGVMHPPTLF-UHFFFAOYSA-N 1 0 377.391 3.385 20 5 GGBDRO Cc1nn(CCC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c(C)c1[N+](=O)[O-] ZINC000060364164 1407961597 /nfs/dbraw/zinc/96/15/97/1407961597.db2.gz FAGMZAVJYXAVPS-UHFFFAOYSA-N 1 0 385.468 3.423 20 5 GGBDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000060789568 1408033862 /nfs/dbraw/zinc/03/38/62/1408033862.db2.gz AXLPSBDASOYOCY-UHFFFAOYSA-N 1 0 398.463 3.227 20 5 GGBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000061189114 1408087720 /nfs/dbraw/zinc/08/77/20/1408087720.db2.gz JBPZFJRKGOMNIH-UHFFFAOYSA-N 1 0 385.468 3.157 20 5 GGBDRO O=C(NCCC[NH+]1CCCC1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000061238964 1408095679 /nfs/dbraw/zinc/09/56/79/1408095679.db2.gz XELRXNHHAZYVLC-UHFFFAOYSA-N 1 0 382.464 3.423 20 5 GGBDRO Cc1ccc([C@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000061502466 1408138963 /nfs/dbraw/zinc/13/89/63/1408138963.db2.gz PBCMPNVKEGZSHA-FQEVSTJZSA-N 1 0 382.464 3.268 20 5 GGBDRO Cc1ccc([C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)[NH+]2CCCC2)cc1 ZINC000061503255 1408139173 /nfs/dbraw/zinc/13/91/73/1408139173.db2.gz LEJMEQBUEZPORL-HXUWFJFHSA-N 1 0 383.448 3.235 20 5 GGBDRO CC(C)NC(=O)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000061556419 1408147328 /nfs/dbraw/zinc/14/73/28/1408147328.db2.gz KZECPORAKVCNOB-UHFFFAOYSA-N 1 0 393.447 3.062 20 5 GGBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061568965 1408148073 /nfs/dbraw/zinc/14/80/73/1408148073.db2.gz AVNRMRLERPDVOU-UHFFFAOYSA-N 1 0 389.477 3.064 20 5 GGBDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)C[C@@H](C)O1 ZINC000176393775 1428296755 /nfs/dbraw/zinc/29/67/55/1428296755.db2.gz ZDRYNRZJNGGPBB-HZPDHXFCSA-N 1 0 390.484 3.338 20 5 GGBDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000176393739 1428296965 /nfs/dbraw/zinc/29/69/65/1428296965.db2.gz ZDRYNRZJNGGPBB-IYBDPMFKSA-N 1 0 390.484 3.338 20 5 GGBDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000062499659 1408270037 /nfs/dbraw/zinc/27/00/37/1408270037.db2.gz OKXOWMJBBBOWNH-UHFFFAOYSA-N 1 0 388.443 3.050 20 5 GGBDRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000063080461 1408301610 /nfs/dbraw/zinc/30/16/10/1408301610.db2.gz XKDMJBGQXWBJGJ-UHFFFAOYSA-N 1 0 398.419 3.145 20 5 GGBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063080349 1408301868 /nfs/dbraw/zinc/30/18/68/1408301868.db2.gz IONIAZPZMOMWCK-UHFFFAOYSA-N 1 0 383.448 3.002 20 5 GGBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC1CC[NH+](CC2CCCC2)CC1 ZINC000063272165 1408327438 /nfs/dbraw/zinc/32/74/38/1408327438.db2.gz FNRZIUMIRGXYPP-UHFFFAOYSA-N 1 0 375.469 3.135 20 5 GGBDRO CCN(C[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1)CC(F)(F)F ZINC000176414873 1428311324 /nfs/dbraw/zinc/31/13/24/1428311324.db2.gz DRDMTUWGMPYSIC-AWEZNQCLSA-N 1 0 375.391 3.180 20 5 GGBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000063582215 1408374159 /nfs/dbraw/zinc/37/41/59/1408374159.db2.gz VNBZWKYGQXSIIT-UHFFFAOYSA-N 1 0 385.468 3.117 20 5 GGBDRO COc1ccc(CSCC(=O)NCC(C)(C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000063662180 1408388109 /nfs/dbraw/zinc/38/81/09/1408388109.db2.gz XSMIGCMJYYHCOR-UHFFFAOYSA-N 1 0 395.525 3.217 20 5 GGBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000063758931 1408403399 /nfs/dbraw/zinc/40/33/99/1408403399.db2.gz IESBBWHJKMSNCX-ZIAGYGMSSA-N 1 0 392.456 3.299 20 5 GGBDRO C[C@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000064113296 1408485638 /nfs/dbraw/zinc/48/56/38/1408485638.db2.gz HCTNUMUMUXIKEV-HUUCEWRRSA-N 1 0 385.468 3.234 20 5 GGBDRO CC1CC[NH+](CCCCNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC1 ZINC000064113343 1408485700 /nfs/dbraw/zinc/48/57/00/1408485700.db2.gz KNYPROSVOQMMNL-UHFFFAOYSA-N 1 0 399.495 3.483 20 5 GGBDRO C[C@@H]1CCC[C@](CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000064113518 1408486618 /nfs/dbraw/zinc/48/66/18/1408486618.db2.gz KTVBTLUZGOOPAR-VFNWGFHPSA-N 1 0 399.495 3.482 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2nnc(CN3CC[NH+](CC4CCCCC4)CC3)o2)cc1 ZINC000064129848 1408491385 /nfs/dbraw/zinc/49/13/85/1408491385.db2.gz PSSSRFAMBHQRJV-UHFFFAOYSA-N 1 0 385.468 3.343 20 5 GGBDRO O=C(NC1CC1)c1ccc(N2CC[NH+](CC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000064129165 1408492032 /nfs/dbraw/zinc/49/20/32/1408492032.db2.gz IWOHGXOWIJGTCB-UHFFFAOYSA-N 1 0 386.496 3.189 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CC[NH+](CC4CCCCC4)CC3)n2)cc1 ZINC000064130563 1408492422 /nfs/dbraw/zinc/49/24/22/1408492422.db2.gz SORQZHMPMVEDHQ-UHFFFAOYSA-N 1 0 385.468 3.343 20 5 GGBDRO O=[N+]([O-])c1ccc(OCCCN2CC[NH+](CCc3cccs3)CC2)cc1 ZINC000064352398 1408539054 /nfs/dbraw/zinc/53/90/54/1408539054.db2.gz CZZSFZQXLVIQDF-UHFFFAOYSA-N 1 0 375.494 3.286 20 5 GGBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccccc1C[NH+](C)C ZINC000064418882 1408550085 /nfs/dbraw/zinc/55/00/85/1408550085.db2.gz HMFJOFPIOOBCMW-ZDUSSCGKSA-N 1 0 391.855 3.394 20 5 GGBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000064419193 1408550525 /nfs/dbraw/zinc/55/05/25/1408550525.db2.gz RQLJMJNXBOIESA-DYVFJYSZSA-N 1 0 391.855 3.435 20 5 GGBDRO Cn1cc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064680793 1408595153 /nfs/dbraw/zinc/59/51/53/1408595153.db2.gz RXEDPXBBPXFEPX-LJQANCHMSA-N 1 0 393.447 3.028 20 5 GGBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000064724933 1408601711 /nfs/dbraw/zinc/60/17/11/1408601711.db2.gz OZESISZAVQTOHL-ZNMIVQPWSA-N 1 0 397.903 3.500 20 5 GGBDRO COc1cc(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c([N+](=O)[O-])cc1OC ZINC000064725617 1408601737 /nfs/dbraw/zinc/60/17/37/1408601737.db2.gz BCTQVJRZKYHVJH-ZNMIVQPWSA-N 1 0 391.468 3.089 20 5 GGBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000065086765 1408643033 /nfs/dbraw/zinc/64/30/33/1408643033.db2.gz UMVUTJANONRBIQ-UHFFFAOYSA-N 1 0 395.444 3.076 20 5 GGBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000065142305 1408648611 /nfs/dbraw/zinc/64/86/11/1408648611.db2.gz BVANEYQFNXJJKP-HZPDHXFCSA-N 1 0 399.495 3.267 20 5 GGBDRO CNC(=O)c1ccc(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000065202026 1408652133 /nfs/dbraw/zinc/65/21/33/1408652133.db2.gz VIOLJLLKSRJOIW-KRWDZBQOSA-N 1 0 382.464 3.279 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000065302336 1408660226 /nfs/dbraw/zinc/66/02/26/1408660226.db2.gz KTDAIBDBDMDIIH-UHFFFAOYSA-N 1 0 376.457 3.333 20 5 GGBDRO CCC(CC)[C@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000065510748 1408681159 /nfs/dbraw/zinc/68/11/59/1408681159.db2.gz FTGKGJNUSUXEAB-IBGZPJMESA-N 1 0 376.501 3.337 20 5 GGBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000065511910 1408681882 /nfs/dbraw/zinc/68/18/82/1408681882.db2.gz CDKVWPLYSUTSGG-LJQANCHMSA-N 1 0 382.464 3.101 20 5 GGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000065532861 1408684912 /nfs/dbraw/zinc/68/49/12/1408684912.db2.gz UOUZVUDQSJRZCD-INIZCTEOSA-N 1 0 385.468 3.171 20 5 GGBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000065723007 1408718595 /nfs/dbraw/zinc/71/85/95/1408718595.db2.gz VPPOWWHSZQSSLY-UHFFFAOYSA-N 1 0 392.459 3.330 20 5 GGBDRO C[NH+](C)CCN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCCC1 ZINC000065746202 1408722777 /nfs/dbraw/zinc/72/27/77/1408722777.db2.gz SVFSOKOEADLYSD-UHFFFAOYSA-N 1 0 385.468 3.117 20 5 GGBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000065747749 1408723354 /nfs/dbraw/zinc/72/33/54/1408723354.db2.gz KFSVPSDDHUUCFK-UHFFFAOYSA-N 1 0 390.827 3.391 20 5 GGBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000065747962 1408723371 /nfs/dbraw/zinc/72/33/71/1408723371.db2.gz LNDJBOQVTVIQIQ-UHFFFAOYSA-N 1 0 390.827 3.391 20 5 GGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]Cc2ccccc2Cn2cncn2)c1 ZINC000065750539 1408723964 /nfs/dbraw/zinc/72/39/64/1408723964.db2.gz RXZKNBPELUMSPT-UHFFFAOYSA-N 1 0 389.362 3.126 20 5 GGBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1 ZINC000065881229 1408747499 /nfs/dbraw/zinc/74/74/99/1408747499.db2.gz JUPRHGSBWYXJPF-UHFFFAOYSA-N 1 0 393.447 3.162 20 5 GGBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000065931681 1408756885 /nfs/dbraw/zinc/75/68/85/1408756885.db2.gz OITQYVPVJQZLQD-UHFFFAOYSA-N 1 0 388.443 3.126 20 5 GGBDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000065937234 1408758389 /nfs/dbraw/zinc/75/83/89/1408758389.db2.gz VLEZTFTUBALLER-UHFFFAOYSA-N 1 0 375.856 3.381 20 5 GGBDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000065938409 1408759471 /nfs/dbraw/zinc/75/94/71/1408759471.db2.gz YJKMUOJXJANSMV-UHFFFAOYSA-N 1 0 381.354 3.216 20 5 GGBDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000065939795 1408759811 /nfs/dbraw/zinc/75/98/11/1408759811.db2.gz FMIPZEASPRPINH-UHFFFAOYSA-N 1 0 388.443 3.126 20 5 GGBDRO CCOc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000065940396 1408759959 /nfs/dbraw/zinc/75/99/59/1408759959.db2.gz VHFLJIFVJSFMNF-UHFFFAOYSA-N 1 0 389.427 3.337 20 5 GGBDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000065939443 1408759972 /nfs/dbraw/zinc/75/99/72/1408759972.db2.gz OOBGDDYLZNKXGD-UHFFFAOYSA-N 1 0 389.427 3.093 20 5 GGBDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000065984446 1408767526 /nfs/dbraw/zinc/76/75/26/1408767526.db2.gz ZXCAETZKPNEQNV-UHFFFAOYSA-N 1 0 378.379 3.469 20 5 GGBDRO C[NH+](C)CCCNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000066067903 1408780338 /nfs/dbraw/zinc/78/03/38/1408780338.db2.gz JDJFGPMJCOIIJR-UHFFFAOYSA-N 1 0 379.464 3.489 20 5 GGBDRO C[NH+]1CCN(c2ncccc2CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000066372728 1408825260 /nfs/dbraw/zinc/82/52/60/1408825260.db2.gz KBVBAVIQOJRHBN-UHFFFAOYSA-N 1 0 395.385 3.373 20 5 GGBDRO CC[NH+]1CCC(n2nccc2NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000066663071 1408879143 /nfs/dbraw/zinc/87/91/43/1408879143.db2.gz CKOTXDFJJPAWCK-UHFFFAOYSA-N 1 0 382.424 3.182 20 5 GGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000066726298 1408894822 /nfs/dbraw/zinc/89/48/22/1408894822.db2.gz FTQFUYLCYZZYDW-UHFFFAOYSA-N 1 0 381.436 3.195 20 5 GGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000066935400 1408957217 /nfs/dbraw/zinc/95/72/17/1408957217.db2.gz LKTKUUNBELLYMB-UHFFFAOYSA-N 1 0 391.493 3.176 20 5 GGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000066935344 1408957222 /nfs/dbraw/zinc/95/72/22/1408957222.db2.gz LJBMSQLAFLPHMZ-UHFFFAOYSA-N 1 0 395.456 3.006 20 5 GGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000066935342 1408957296 /nfs/dbraw/zinc/95/72/96/1408957296.db2.gz CLWZPXOKLKXQJC-UHFFFAOYSA-N 1 0 391.493 3.176 20 5 GGBDRO Cn1cc(C[NH2+]Cc2ccc3c(c2)OCCCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000067011249 1408979671 /nfs/dbraw/zinc/97/96/71/1408979671.db2.gz JABNTTSNIAROGZ-UHFFFAOYSA-N 1 0 394.431 3.446 20 5 GGBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000067052465 1408993330 /nfs/dbraw/zinc/99/33/30/1408993330.db2.gz SOXMSMJPWNMIRW-UHFFFAOYSA-N 1 0 387.484 3.221 20 5 GGBDRO COc1ccccc1[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C)[NH+]1CCCC1 ZINC000067130387 1409015565 /nfs/dbraw/zinc/01/55/65/1409015565.db2.gz BTRXOWFWWSKDBD-LJQANCHMSA-N 1 0 383.448 3.479 20 5 GGBDRO COc1cccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C)[NH+]2CCCC2)c1 ZINC000067131078 1409015763 /nfs/dbraw/zinc/01/57/63/1409015763.db2.gz YYVBOHXTTSRNGG-HXUWFJFHSA-N 1 0 383.448 3.479 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000067162738 1409028417 /nfs/dbraw/zinc/02/84/17/1409028417.db2.gz FZXKDNVFFIMMNK-IAGOWNOFSA-N 1 0 397.475 3.442 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)cc1OC ZINC000067207067 1409042706 /nfs/dbraw/zinc/04/27/06/1409042706.db2.gz RMJRRXOTWNVYPP-OAHLLOKOSA-N 1 0 399.447 3.135 20 5 GGBDRO COc1ccc(CSCC(=O)NC2CC[NH+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000067265104 1409058657 /nfs/dbraw/zinc/05/86/57/1409058657.db2.gz BXRYMODKNWCSCF-UHFFFAOYSA-N 1 0 395.525 3.073 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000067361172 1409084326 /nfs/dbraw/zinc/08/43/26/1409084326.db2.gz KRYPLIAHOLLOML-KRWDZBQOSA-N 1 0 383.448 3.245 20 5 GGBDRO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000067445933 1409120929 /nfs/dbraw/zinc/12/09/29/1409120929.db2.gz DDNYISLVXPSFKX-UHFFFAOYSA-N 1 0 383.404 3.174 20 5 GGBDRO COc1cccc([C@H](CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000067785751 1409231430 /nfs/dbraw/zinc/23/14/30/1409231430.db2.gz QDCRIBUAKVDGKW-FQEVSTJZSA-N 1 0 399.447 3.179 20 5 GGBDRO CC[NH+](CC)[C@H](CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000067792894 1409232461 /nfs/dbraw/zinc/23/24/61/1409232461.db2.gz VVNUVJATMXDATI-LJQANCHMSA-N 1 0 385.464 3.345 20 5 GGBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000067826033 1409239057 /nfs/dbraw/zinc/23/90/57/1409239057.db2.gz SLWMZWHEZGXAIP-UHFFFAOYSA-N 1 0 396.447 3.266 20 5 GGBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000176635042 1428386564 /nfs/dbraw/zinc/38/65/64/1428386564.db2.gz LDVTWPVDZZECAP-RDJZCZTQSA-N 1 0 390.484 3.020 20 5 GGBDRO COc1ccc(CC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000067907037 1409253560 /nfs/dbraw/zinc/25/35/60/1409253560.db2.gz LNDAVJJMDJZNCA-SFHVURJKSA-N 1 0 377.485 3.019 20 5 GGBDRO COc1ccc(CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)cc1[N+](=O)[O-] ZINC000067906682 1409253706 /nfs/dbraw/zinc/25/37/06/1409253706.db2.gz CINQQZOVMZHUSZ-UHFFFAOYSA-N 1 0 397.475 3.189 20 5 GGBDRO COc1ccc(CC(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000067907416 1409253777 /nfs/dbraw/zinc/25/37/77/1409253777.db2.gz OZMGCLUBADVIGB-UHFFFAOYSA-N 1 0 385.464 3.303 20 5 GGBDRO COc1ccc(CC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1[N+](=O)[O-] ZINC000067922618 1409256579 /nfs/dbraw/zinc/25/65/79/1409256579.db2.gz NEFSLZQAWXZHPU-GOSISDBHSA-N 1 0 389.496 3.116 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000067962253 1409264585 /nfs/dbraw/zinc/26/45/85/1409264585.db2.gz NBCWCEIBQGYFCA-UHFFFAOYSA-N 1 0 396.491 3.440 20 5 GGBDRO Cc1c(NC(=O)CCN2CCC[N@H+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000067962255 1409264790 /nfs/dbraw/zinc/26/47/90/1409264790.db2.gz FNARHVXPRZACFN-UHFFFAOYSA-N 1 0 396.491 3.440 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000067960994 1409264896 /nfs/dbraw/zinc/26/48/96/1409264896.db2.gz WVIHVFNOARDABY-INIZCTEOSA-N 1 0 385.420 3.004 20 5 GGBDRO Cc1ccc(C[NH2+]Cc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000067979183 1409269059 /nfs/dbraw/zinc/26/90/59/1409269059.db2.gz UFJMCYNAHWUWPF-IRXDYDNUSA-N 1 0 397.475 3.442 20 5 GGBDRO C[C@H](CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000068064401 1409289120 /nfs/dbraw/zinc/28/91/20/1409289120.db2.gz CYFDXWGERIROLA-CVEARBPZSA-N 1 0 397.479 3.377 20 5 GGBDRO C[C@H](CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000068064402 1409289252 /nfs/dbraw/zinc/28/92/52/1409289252.db2.gz CYFDXWGERIROLA-HZPDHXFCSA-N 1 0 397.479 3.377 20 5 GGBDRO CC[NH+](CC)Cc1cccc(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])c1 ZINC000068264195 1409345265 /nfs/dbraw/zinc/34/52/65/1409345265.db2.gz IFNJBEFSUOAISZ-UHFFFAOYSA-N 1 0 385.420 3.267 20 5 GGBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000068265724 1409345694 /nfs/dbraw/zinc/34/56/94/1409345694.db2.gz NIRGTJNFMXXXLK-FZMZJTMJSA-N 1 0 397.884 3.496 20 5 GGBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000068265727 1409345797 /nfs/dbraw/zinc/34/57/97/1409345797.db2.gz NIRGTJNFMXXXLK-BXUZGUMPSA-N 1 0 397.884 3.496 20 5 GGBDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000068313312 1409363289 /nfs/dbraw/zinc/36/32/89/1409363289.db2.gz YIUVWRPVLGZCQS-UHFFFAOYSA-N 1 0 385.342 3.411 20 5 GGBDRO CCC[NH+]1CCC(N(C)C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000068383751 1409385368 /nfs/dbraw/zinc/38/53/68/1409385368.db2.gz HMMCQHVTXURZKH-CYBMUJFWSA-N 1 0 383.876 3.348 20 5 GGBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC000068387431 1409387164 /nfs/dbraw/zinc/38/71/64/1409387164.db2.gz FGGCEWIREISJOS-CQSZACIVSA-N 1 0 389.427 3.358 20 5 GGBDRO Cc1ccc(NC(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000068555188 1409437531 /nfs/dbraw/zinc/43/75/31/1409437531.db2.gz BATYSNCBVYITPL-HZPDHXFCSA-N 1 0 390.484 3.256 20 5 GGBDRO COc1cccc([C@H](CNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])[NH+](C)C)c1 ZINC000176683095 1428405288 /nfs/dbraw/zinc/40/52/88/1428405288.db2.gz CRVLYWLGUBYGPL-KRWDZBQOSA-N 1 0 375.400 3.084 20 5 GGBDRO Cc1c(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000068931771 1409528006 /nfs/dbraw/zinc/52/80/06/1409528006.db2.gz WLXPXQJPYSTJSH-UHFFFAOYSA-N 1 0 398.419 3.337 20 5 GGBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000068935714 1409529293 /nfs/dbraw/zinc/52/92/93/1409529293.db2.gz PUQGVKZHETYNAQ-KRWDZBQOSA-N 1 0 377.488 3.001 20 5 GGBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000069047686 1409553256 /nfs/dbraw/zinc/55/32/56/1409553256.db2.gz POHNEYCAQMUNCK-CYBMUJFWSA-N 1 0 383.876 3.348 20 5 GGBDRO O=C(CN1CCC[C@H]1C[NH+]1CCCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000069078827 1409559087 /nfs/dbraw/zinc/55/90/87/1409559087.db2.gz YZYNSORODXGZSN-HNNXBMFYSA-N 1 0 380.876 3.137 20 5 GGBDRO O=C(CN1CCC[C@@H]1C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000069078755 1409559094 /nfs/dbraw/zinc/55/90/94/1409559094.db2.gz MLZOWWYXPMVEIY-OAHLLOKOSA-N 1 0 380.876 3.137 20 5 GGBDRO CC[NH+]1CCC(n2nccc2NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000069898339 1409721324 /nfs/dbraw/zinc/72/13/24/1409721324.db2.gz PCAXCAMWUJPSNZ-UHFFFAOYSA-N 1 0 377.832 3.354 20 5 GGBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000071027297 1409813855 /nfs/dbraw/zinc/81/38/55/1409813855.db2.gz HHJPSSNTSZJXNA-NSHDSACASA-N 1 0 387.783 3.235 20 5 GGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000071862623 1409828185 /nfs/dbraw/zinc/82/81/85/1409828185.db2.gz GDMUFMYPLFEXMK-SFHVURJKSA-N 1 0 381.436 3.284 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(Cc3cccc(F)c3)CC2)c1 ZINC000071950281 1409832700 /nfs/dbraw/zinc/83/27/00/1409832700.db2.gz GLSHFDRMRCNGLY-HXUWFJFHSA-N 1 0 388.439 3.428 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(Cc3cccc(F)c3)CC2)c1 ZINC000071950280 1409832946 /nfs/dbraw/zinc/83/29/46/1409832946.db2.gz GLSHFDRMRCNGLY-FQEVSTJZSA-N 1 0 388.439 3.428 20 5 GGBDRO CC[NH+](CC)CCCNC(=O)C1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000071953707 1409833399 /nfs/dbraw/zinc/83/33/99/1409833399.db2.gz SERSOAZIQFAOKI-UHFFFAOYSA-N 1 0 396.919 3.313 20 5 GGBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CNC[C@H](O)C[NH+]2CCCC2)o1 ZINC000072058802 1409842897 /nfs/dbraw/zinc/84/28/97/1409842897.db2.gz POUOZUYOFMYFGV-AWEZNQCLSA-N 1 0 379.844 3.055 20 5 GGBDRO Cc1n[nH]c(C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000072060276 1409843253 /nfs/dbraw/zinc/84/32/53/1409843253.db2.gz HPXNQUKKKBWUQC-KBPBESRZSA-N 1 0 385.468 3.034 20 5 GGBDRO COc1ccc(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000072809262 1409853399 /nfs/dbraw/zinc/85/33/99/1409853399.db2.gz MJFJGMNTMFWYTJ-CVEARBPZSA-N 1 0 375.469 3.330 20 5 GGBDRO COc1cc(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)ccc1[N+](=O)[O-] ZINC000072810401 1409853420 /nfs/dbraw/zinc/85/34/20/1409853420.db2.gz GJWUNCHZJNMSOU-CVEARBPZSA-N 1 0 375.469 3.330 20 5 GGBDRO CC(C)CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000074139447 1409869889 /nfs/dbraw/zinc/86/98/89/1409869889.db2.gz BPMURBAMAYJPDL-UHFFFAOYSA-N 1 0 376.501 3.366 20 5 GGBDRO CC(C)[NH+](CCCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(C)C ZINC000074331553 1409871496 /nfs/dbraw/zinc/87/14/96/1409871496.db2.gz QDHROKAJOHKCBQ-UHFFFAOYSA-N 1 0 376.501 3.434 20 5 GGBDRO CCCC[N@H+](C)CC1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000074319814 1409871501 /nfs/dbraw/zinc/87/15/01/1409871501.db2.gz DJJUXEKZVUJHDL-INIZCTEOSA-N 1 0 376.501 3.366 20 5 GGBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)C1CCCCC1 ZINC000078904396 1409941605 /nfs/dbraw/zinc/94/16/05/1409941605.db2.gz KOVPYUWDSKJSJT-SFHVURJKSA-N 1 0 376.457 3.474 20 5 GGBDRO CC(C)NC(=O)c1ccc(NC2CC[NH+](CCOC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000176740279 1428443149 /nfs/dbraw/zinc/44/31/49/1428443149.db2.gz XWNUWUHCUZIHDY-UHFFFAOYSA-N 1 0 392.500 3.034 20 5 GGBDRO O=C(CC1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1)N1CCCC1 ZINC000079198601 1409962472 /nfs/dbraw/zinc/96/24/72/1409962472.db2.gz VIGVQWORWFBKNE-UHFFFAOYSA-N 1 0 375.469 3.088 20 5 GGBDRO CCCC[N@H+](C)CC1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000080249407 1410003471 /nfs/dbraw/zinc/00/34/71/1410003471.db2.gz NRVQIQYXKRJVDA-UHFFFAOYSA-N 1 0 376.501 3.002 20 5 GGBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000091458838 1410073835 /nfs/dbraw/zinc/07/38/35/1410073835.db2.gz XMGCQKTWYGEZEW-RBSFLKMASA-N 1 0 376.457 3.330 20 5 GGBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000091458834 1410074202 /nfs/dbraw/zinc/07/42/02/1410074202.db2.gz XMGCQKTWYGEZEW-QLFBSQMISA-N 1 0 376.457 3.330 20 5 GGBDRO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000092188704 1410119277 /nfs/dbraw/zinc/11/92/77/1410119277.db2.gz DWWTUIVQKQINEP-CQSZACIVSA-N 1 0 386.477 3.313 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000092424560 1410156433 /nfs/dbraw/zinc/15/64/33/1410156433.db2.gz WRSFKKQWJBTAIF-IYBDPMFKSA-N 1 0 377.485 3.139 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000092456036 1410158795 /nfs/dbraw/zinc/15/87/95/1410158795.db2.gz SBSQIUIUZBFLCX-FQEVSTJZSA-N 1 0 378.432 3.404 20 5 GGBDRO Cn1cc(C[N@@H+]2CCCN(c3nccs3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092482286 1410161153 /nfs/dbraw/zinc/16/11/53/1410161153.db2.gz MTKRJOMZDKWUKZ-UHFFFAOYSA-N 1 0 398.492 3.164 20 5 GGBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(CC[NH+](C)C)Cc2cccs2)cc1C ZINC000176794947 1428463361 /nfs/dbraw/zinc/46/33/61/1428463361.db2.gz OFISBUBMWVVBMZ-UHFFFAOYSA-N 1 0 397.522 3.026 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@H](CO)C2)cc1 ZINC000092764832 1410198871 /nfs/dbraw/zinc/19/88/71/1410198871.db2.gz TZCRAMHMUMGJFL-INIZCTEOSA-N 1 0 378.432 3.262 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@@H](CO)C2)cc1 ZINC000092764834 1410199348 /nfs/dbraw/zinc/19/93/48/1410199348.db2.gz TZCRAMHMUMGJFL-MRXNPFEDSA-N 1 0 378.432 3.262 20 5 GGBDRO COc1ccc(-c2ccc(C[NH+]3CCC(N4CCCC4=O)CC3)o2)c([N+](=O)[O-])c1 ZINC000093088058 1410221588 /nfs/dbraw/zinc/22/15/88/1410221588.db2.gz NKNLKOIDQUHFQQ-UHFFFAOYSA-N 1 0 399.447 3.450 20 5 GGBDRO COc1cc(C[N@@H+]2CCC[C@@H](CCO)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000093106451 1410222486 /nfs/dbraw/zinc/22/24/86/1410222486.db2.gz GGNLMDSTWHHYPE-LBPRGKRZSA-N 1 0 392.374 3.139 20 5 GGBDRO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000093360425 1410238624 /nfs/dbraw/zinc/23/86/24/1410238624.db2.gz CXDHGDFLYUHKHS-LBPRGKRZSA-N 1 0 377.828 3.466 20 5 GGBDRO COc1cc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000093482641 1410248199 /nfs/dbraw/zinc/24/81/99/1410248199.db2.gz FXBDGYYJCBCZBV-AAEUAGOBSA-N 1 0 392.374 3.280 20 5 GGBDRO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000093534216 1410250659 /nfs/dbraw/zinc/25/06/59/1410250659.db2.gz CPWGVRHZUSIUMV-QGZVFWFLSA-N 1 0 378.436 3.375 20 5 GGBDRO COc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1OC(F)F ZINC000093534456 1410250844 /nfs/dbraw/zinc/25/08/44/1410250844.db2.gz FPWRYSFMHHDKTD-CYBMUJFWSA-N 1 0 394.378 3.286 20 5 GGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)nc1 ZINC000093534478 1410250987 /nfs/dbraw/zinc/25/09/87/1410250987.db2.gz HCZPMIMMLJESMK-MRXNPFEDSA-N 1 0 382.399 3.205 20 5 GGBDRO COc1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1OC(C)C ZINC000093534279 1410251141 /nfs/dbraw/zinc/25/11/41/1410251141.db2.gz ZFWHAAYZHGRHCO-INIZCTEOSA-N 1 0 386.452 3.472 20 5 GGBDRO Cn1cc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093563631 1410253855 /nfs/dbraw/zinc/25/38/55/1410253855.db2.gz OUKRBHXIPRXNMG-LJQANCHMSA-N 1 0 383.496 3.446 20 5 GGBDRO COc1cc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000093820318 1410272231 /nfs/dbraw/zinc/27/22/31/1410272231.db2.gz BSBBEVQJHZCQPV-MRXNPFEDSA-N 1 0 390.358 3.157 20 5 GGBDRO COc1cc(C[N@H+](C)C[C@@H]2CCOC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000093839965 1410273080 /nfs/dbraw/zinc/27/30/80/1410273080.db2.gz MZDUKQZHOFDBJH-NSHDSACASA-N 1 0 378.347 3.013 20 5 GGBDRO COc1cc(C[N@H+](C)C[C@H]2CCOC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000093839966 1410273409 /nfs/dbraw/zinc/27/34/09/1410273409.db2.gz MZDUKQZHOFDBJH-LLVKDONJSA-N 1 0 378.347 3.013 20 5 GGBDRO CCOC[C@@H]1CC[N@H+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000093838994 1410273624 /nfs/dbraw/zinc/27/36/24/1410273624.db2.gz IEIDVCDGJCKHFN-GFCCVEGCSA-N 1 0 392.374 3.403 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+](CCc3ccccc3)[C@H]3CCOC3)n2)cc1 ZINC000176806255 1428472248 /nfs/dbraw/zinc/47/22/48/1428472248.db2.gz JPFQICDFPDMGFO-FQEVSTJZSA-N 1 0 393.447 3.144 20 5 GGBDRO CCc1nn(C)c(NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c1[N+](=O)[O-] ZINC000094158933 1410308847 /nfs/dbraw/zinc/30/88/47/1410308847.db2.gz OLIBOVOEFZDMBY-HNNXBMFYSA-N 1 0 387.484 3.203 20 5 GGBDRO C[NH+]1CCN(c2ccc(NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000096950572 1410339816 /nfs/dbraw/zinc/33/98/16/1410339816.db2.gz RMLIXRPLSBDNDF-UHFFFAOYSA-N 1 0 397.479 3.177 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000097126738 1410352937 /nfs/dbraw/zinc/35/29/37/1410352937.db2.gz UYYMNYBKJADWNY-XOBRGWDASA-N 1 0 397.479 3.233 20 5 GGBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000097152751 1410355700 /nfs/dbraw/zinc/35/57/00/1410355700.db2.gz GEPOGWCPKINNDC-LBPRGKRZSA-N 1 0 378.429 3.052 20 5 GGBDRO CN(c1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000097207653 1410358332 /nfs/dbraw/zinc/35/83/32/1410358332.db2.gz WXGAPJXZNKLMHG-UHFFFAOYSA-N 1 0 398.463 3.143 20 5 GGBDRO C[C@H]1C[NH+](CC2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)C[C@H](C)O1 ZINC000097570405 1410378133 /nfs/dbraw/zinc/37/81/33/1410378133.db2.gz LDBGXERRSCPRJV-KBPBESRZSA-N 1 0 395.887 3.210 20 5 GGBDRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)cc2)CC1 ZINC000098071229 1410406326 /nfs/dbraw/zinc/40/63/26/1410406326.db2.gz SJDGXFQFDAWBAX-UHFFFAOYSA-N 1 0 395.463 3.173 20 5 GGBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC([NH+](C)C)CC3)cc2[N+](=O)[O-])C1 ZINC000098093385 1410411534 /nfs/dbraw/zinc/41/15/34/1410411534.db2.gz ZUOTZVRXYYZISF-HOTGVXAUSA-N 1 0 388.512 3.243 20 5 GGBDRO Cc1nn(C)c(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000098098766 1410415079 /nfs/dbraw/zinc/41/50/79/1410415079.db2.gz IAXHMGRUCOJYFL-GJZGRUSLSA-N 1 0 399.495 3.045 20 5 GGBDRO Cc1nn(C)c(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000098102011 1410417421 /nfs/dbraw/zinc/41/74/21/1410417421.db2.gz IGGVPHCCDRLUBK-UHFFFAOYSA-N 1 0 399.495 3.331 20 5 GGBDRO CCn1c(CC[NH3+])nnc1Sc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000176820692 1428483162 /nfs/dbraw/zinc/48/31/62/1428483162.db2.gz ZKFCLUJSQWWZDC-UHFFFAOYSA-N 1 0 397.460 3.090 20 5 GGBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCC3CC[NH+](C)CC3)cc2[N+](=O)[O-])C1 ZINC000101522920 1410447277 /nfs/dbraw/zinc/44/72/77/1410447277.db2.gz JBWLFKBRCZFIBO-HOTGVXAUSA-N 1 0 388.512 3.149 20 5 GGBDRO COc1cc(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000101531497 1410450896 /nfs/dbraw/zinc/45/08/96/1410450896.db2.gz LPZLHCMTQNCDPB-UHFFFAOYSA-N 1 0 397.475 3.384 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](c1ccc(C)o1)N1CCOCC1 ZINC000101590129 1410473642 /nfs/dbraw/zinc/47/36/42/1410473642.db2.gz QQYHPJMXBDNRAS-SFHVURJKSA-N 1 0 389.452 3.058 20 5 GGBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000101607428 1410477651 /nfs/dbraw/zinc/47/76/51/1410477651.db2.gz XTHBCQUNMOWLNF-UHFFFAOYSA-N 1 0 396.491 3.445 20 5 GGBDRO COc1ccc(CN2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000101920548 1410523757 /nfs/dbraw/zinc/52/37/57/1410523757.db2.gz QYKDHVHUJYMSMX-INIZCTEOSA-N 1 0 388.399 3.139 20 5 GGBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000102006665 1410542743 /nfs/dbraw/zinc/54/27/43/1410542743.db2.gz FQGSGRBQANJAJB-MRXNPFEDSA-N 1 0 388.493 3.368 20 5 GGBDRO CC(C)(C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)n1cc([N+](=O)[O-])cn1 ZINC000102343516 1410605440 /nfs/dbraw/zinc/60/54/40/1410605440.db2.gz RMMGUFQWCQMNEL-UHFFFAOYSA-N 1 0 399.495 3.219 20 5 GGBDRO COc1cc(C[NH2+]CC2(O)CCCCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000102426140 1410627616 /nfs/dbraw/zinc/62/76/16/1410627616.db2.gz BUZYRDGMQZXRSC-UHFFFAOYSA-N 1 0 392.374 3.329 20 5 GGBDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000102424995 1410627656 /nfs/dbraw/zinc/62/76/56/1410627656.db2.gz KLOXNLISDRCSGW-CYBMUJFWSA-N 1 0 375.425 3.258 20 5 GGBDRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000176850533 1428500747 /nfs/dbraw/zinc/50/07/47/1428500747.db2.gz QXTZXPRYRDWDMJ-UHFFFAOYSA-N 1 0 397.475 3.396 20 5 GGBDRO COCCC[N@@H+]1Cc2cccc(N[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)c2C1 ZINC000102779349 1410747137 /nfs/dbraw/zinc/74/71/37/1410747137.db2.gz JZFVRVQVTKSRTR-HNNXBMFYSA-N 1 0 398.463 3.386 20 5 GGBDRO COCCC[N@@H+]1Cc2cccc(N[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)c2C1 ZINC000102779268 1410747830 /nfs/dbraw/zinc/74/78/30/1410747830.db2.gz AAEBIIISCXNQGJ-HNNXBMFYSA-N 1 0 398.463 3.386 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1SC ZINC000102976301 1410815530 /nfs/dbraw/zinc/81/55/30/1410815530.db2.gz GKMIMINIMMYYFH-INIZCTEOSA-N 1 0 389.477 3.358 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1SC ZINC000103063608 1410823972 /nfs/dbraw/zinc/82/39/72/1410823972.db2.gz OQHGLQOQKAPDJJ-ZDUSSCGKSA-N 1 0 395.506 3.420 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)NCc2cccc(C[NH+](C)C)c2)cc1SC ZINC000103068732 1410824506 /nfs/dbraw/zinc/82/45/06/1410824506.db2.gz SHASSTHJMDCSCL-UHFFFAOYSA-N 1 0 389.477 3.317 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1SC ZINC000103069897 1410824915 /nfs/dbraw/zinc/82/49/15/1410824915.db2.gz FONAXLPLFHIGEZ-OLZOCXBDSA-N 1 0 381.498 3.176 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1SC ZINC000103075491 1410825654 /nfs/dbraw/zinc/82/56/54/1410825654.db2.gz WJYQXGHHJIESFF-ZDUSSCGKSA-N 1 0 381.498 3.176 20 5 GGBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000103113629 1410829170 /nfs/dbraw/zinc/82/91/70/1410829170.db2.gz PXUNEZXHFLTGFP-UHFFFAOYSA-N 1 0 386.408 3.015 20 5 GGBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2ccc(OC)c(C)c2)c([N+](=O)[O-])c1 ZINC000103145498 1410832098 /nfs/dbraw/zinc/83/20/98/1410832098.db2.gz PWSBFFTWABCQIL-UHFFFAOYSA-N 1 0 387.436 3.381 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1SC ZINC000103185939 1410835535 /nfs/dbraw/zinc/83/55/35/1410835535.db2.gz LCXIFIIKLRGMQU-ZDUSSCGKSA-N 1 0 381.498 3.320 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)[NH+]2CCCCC2)cc1SC ZINC000103185473 1410835587 /nfs/dbraw/zinc/83/55/87/1410835587.db2.gz OJUXJZXLOZMBKH-UHFFFAOYSA-N 1 0 381.498 3.320 20 5 GGBDRO COc1cc(C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000103252175 1410840920 /nfs/dbraw/zinc/84/09/20/1410840920.db2.gz GSCGTYLDZJRBIS-UHFFFAOYSA-N 1 0 384.436 3.362 20 5 GGBDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000103458177 1410859477 /nfs/dbraw/zinc/85/94/77/1410859477.db2.gz UXZIVRMVMVIVTB-WMZOPIPTSA-N 1 0 399.495 3.433 20 5 GGBDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000103475171 1410861703 /nfs/dbraw/zinc/86/17/03/1410861703.db2.gz CSDVAYQFYPBEBV-UHFFFAOYSA-N 1 0 393.447 3.488 20 5 GGBDRO CCOc1ccc(NC(=O)C[NH2+]C(C)(C)c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000103484647 1410863014 /nfs/dbraw/zinc/86/30/14/1410863014.db2.gz VUFROILKJSKVBF-UHFFFAOYSA-N 1 0 387.436 3.466 20 5 GGBDRO CC1CCN(c2ccc(C(=O)N3CCCC[C@H]3C[NH+](C)C)cc2[N+](=O)[O-])CC1 ZINC000104412258 1410895232 /nfs/dbraw/zinc/89/52/32/1410895232.db2.gz FABWXWXHIXSOGR-SFHVURJKSA-N 1 0 388.512 3.387 20 5 GGBDRO CCCC(=O)N[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104682591 1410927651 /nfs/dbraw/zinc/92/76/51/1410927651.db2.gz LAISXAYAZVWGPB-INIZCTEOSA-N 1 0 386.452 3.173 20 5 GGBDRO C[NH+](C)Cc1ccnc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 ZINC000176941889 1428526821 /nfs/dbraw/zinc/52/68/21/1428526821.db2.gz GLWCKAHSAXAGQU-UHFFFAOYSA-N 1 0 386.455 3.250 20 5 GGBDRO Cc1cc(C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000104894524 1410992540 /nfs/dbraw/zinc/99/25/40/1410992540.db2.gz CTFMRFCUIYTUAH-UHFFFAOYSA-N 1 0 396.491 3.470 20 5 GGBDRO COc1cc[nH+]c(N2CCN(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2)c1 ZINC000104976021 1411006645 /nfs/dbraw/zinc/00/66/45/1411006645.db2.gz YHJZWZVPRQOIKQ-UHFFFAOYSA-N 1 0 391.815 3.006 20 5 GGBDRO CC[C@@H](N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1nc(C)cs1 ZINC000105407454 1411063599 /nfs/dbraw/zinc/06/35/99/1411063599.db2.gz GVNATDIDIYJBHP-WCQYABFASA-N 1 0 378.454 3.436 20 5 GGBDRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)s1 ZINC000105431432 1411065675 /nfs/dbraw/zinc/06/56/75/1411065675.db2.gz RXDNQWSRQNOHDX-UHFFFAOYSA-N 1 0 397.522 3.019 20 5 GGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1 ZINC000105448226 1411067537 /nfs/dbraw/zinc/06/75/37/1411067537.db2.gz VLKMBDQYLXVGBR-UHFFFAOYSA-N 1 0 380.404 3.088 20 5 GGBDRO COc1cc(C[NH2+]CCOc2ccc(Br)cc2)c([N+](=O)[O-])cc1O ZINC000105461892 1411068167 /nfs/dbraw/zinc/06/81/67/1411068167.db2.gz CAFTXTGDUCISFY-UHFFFAOYSA-N 1 0 397.225 3.240 20 5 GGBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)[C@@H](C)N3CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000105500726 1411073343 /nfs/dbraw/zinc/07/33/43/1411073343.db2.gz HDMCJKRZFLWDHM-LSDHHAIUSA-N 1 0 389.452 3.062 20 5 GGBDRO COc1ccc(-c2ccc(C[NH2+]CC3CCN(C(C)=O)CC3)o2)c([N+](=O)[O-])c1 ZINC000105505568 1411074067 /nfs/dbraw/zinc/07/40/67/1411074067.db2.gz AFBHFJZRCDIIOC-UHFFFAOYSA-N 1 0 387.436 3.212 20 5 GGBDRO COc1cccc([C@@H](CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000105597695 1411090391 /nfs/dbraw/zinc/09/03/91/1411090391.db2.gz MMKCERGXDCAGEO-GOSISDBHSA-N 1 0 389.477 3.358 20 5 GGBDRO CC[NH+]1CCC(N(C)C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000105599880 1411090928 /nfs/dbraw/zinc/09/09/28/1411090928.db2.gz MODSIXBRGIAXLL-MRXNPFEDSA-N 1 0 388.512 3.387 20 5 GGBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000106363553 1411206917 /nfs/dbraw/zinc/20/69/17/1411206917.db2.gz QMJIMOBWPMJOCG-GOSISDBHSA-N 1 0 382.464 3.373 20 5 GGBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000106788037 1411301981 /nfs/dbraw/zinc/30/19/81/1411301981.db2.gz VCRZERYGWZLJJZ-AWEZNQCLSA-N 1 0 386.477 3.465 20 5 GGBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000107193355 1411349884 /nfs/dbraw/zinc/34/98/84/1411349884.db2.gz SYQHIWCFMWIPRS-UHFFFAOYSA-N 1 0 386.452 3.244 20 5 GGBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000107600872 1411391073 /nfs/dbraw/zinc/39/10/73/1411391073.db2.gz OVWWAZGYWHAPGN-UKRRQHHQSA-N 1 0 381.860 3.102 20 5 GGBDRO CC[NH+]1CCC(n2nccc2NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000107686500 1411398954 /nfs/dbraw/zinc/39/89/54/1411398954.db2.gz FHSRXAQFPRZGIH-UHFFFAOYSA-N 1 0 398.467 3.275 20 5 GGBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000108302285 1411468864 /nfs/dbraw/zinc/46/88/64/1411468864.db2.gz LRFVIDPHTRPSIN-LJQANCHMSA-N 1 0 394.475 3.421 20 5 GGBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC[C@@H]3CCC[N@H+](C)C3)cc2[N+](=O)[O-])C1 ZINC000108336242 1411475780 /nfs/dbraw/zinc/47/57/80/1411475780.db2.gz UQXPNZCXOWQQGA-BBWFWOEESA-N 1 0 388.512 3.149 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000108336694 1411476578 /nfs/dbraw/zinc/47/65/78/1411476578.db2.gz PYOKMIVEEZBSRY-HOTGVXAUSA-N 1 0 397.479 3.235 20 5 GGBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000108784884 1411608911 /nfs/dbraw/zinc/60/89/11/1411608911.db2.gz WKLSZWSCGVXNHZ-INIZCTEOSA-N 1 0 386.496 3.045 20 5 GGBDRO CC[N@H+](C)Cc1cccc(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000109013383 1411661841 /nfs/dbraw/zinc/66/18/41/1411661841.db2.gz YEAHPPWWLAALCD-UHFFFAOYSA-N 1 0 397.884 3.178 20 5 GGBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@H]1COc2ccccc2O1 ZINC000109093134 1411682015 /nfs/dbraw/zinc/68/20/15/1411682015.db2.gz WERCZGPCZSDJOQ-KRWDZBQOSA-N 1 0 399.447 3.394 20 5 GGBDRO COc1ccc([C@H]([NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C2CC2)cc1 ZINC000109147295 1411693888 /nfs/dbraw/zinc/69/38/88/1411693888.db2.gz PNTOCIGWBNWJBZ-WOJBJXKFSA-N 1 0 381.432 3.450 20 5 GGBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000177105080 1428589292 /nfs/dbraw/zinc/58/92/92/1428589292.db2.gz VXXIREIVACHERB-HNNXBMFYSA-N 1 0 395.525 3.035 20 5 GGBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000177105091 1428589688 /nfs/dbraw/zinc/58/96/88/1428589688.db2.gz VXXIREIVACHERB-OAHLLOKOSA-N 1 0 395.525 3.035 20 5 GGBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000109313026 1411738553 /nfs/dbraw/zinc/73/85/53/1411738553.db2.gz CJIFIHZXFPADNC-QGZVFWFLSA-N 1 0 386.427 3.256 20 5 GGBDRO C[C@@H]([NH2+]C(C)(C)CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC000109342996 1411745323 /nfs/dbraw/zinc/74/53/23/1411745323.db2.gz YYYQWNCNBROEBH-CYBMUJFWSA-N 1 0 395.456 3.142 20 5 GGBDRO COc1ccc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1[N+](=O)[O-] ZINC000109513734 1411777561 /nfs/dbraw/zinc/77/75/61/1411777561.db2.gz MNUHFZYHKRQJAT-UHFFFAOYSA-N 1 0 389.477 3.307 20 5 GGBDRO Cc1nc([N+](=O)[O-])cn1CCc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000109569900 1411788894 /nfs/dbraw/zinc/78/88/94/1411788894.db2.gz UVRUQVBIRZKLPI-UHFFFAOYSA-N 1 0 396.451 3.378 20 5 GGBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000109698420 1411804979 /nfs/dbraw/zinc/80/49/79/1411804979.db2.gz KTPWBOXUIJQABM-MRXNPFEDSA-N 1 0 399.495 3.270 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c1 ZINC000109764352 1411808259 /nfs/dbraw/zinc/80/82/59/1411808259.db2.gz XNVVTPNOQCLFNN-QGZVFWFLSA-N 1 0 396.447 3.090 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)NC[C@@H]3CC[N@@H+](C)C3)cc2[N+](=O)[O-])n1 ZINC000109849669 1411813916 /nfs/dbraw/zinc/81/39/16/1411813916.db2.gz BLZDFXRIJQFJKO-LBPRGKRZSA-N 1 0 392.506 3.192 20 5 GGBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000109894593 1411817085 /nfs/dbraw/zinc/81/70/85/1411817085.db2.gz HEVWLNCYFPEYTC-IBGZPJMESA-N 1 0 385.468 3.165 20 5 GGBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c1 ZINC000110020245 1411825771 /nfs/dbraw/zinc/82/57/71/1411825771.db2.gz ANORKBLQTRIIIK-UHFFFAOYSA-N 1 0 381.436 3.241 20 5 GGBDRO C[C@@H](NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000110230732 1411839073 /nfs/dbraw/zinc/83/90/73/1411839073.db2.gz JVWOMPSEVDFSQA-GOSISDBHSA-N 1 0 396.491 3.374 20 5 GGBDRO CC(C)(C)[NH+]1CCC(Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000110250180 1411840302 /nfs/dbraw/zinc/84/03/02/1411840302.db2.gz IAZDYRZCBJNGTL-UHFFFAOYSA-N 1 0 391.440 3.266 20 5 GGBDRO C[C@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[N@H+](C)Cc1ccccc1 ZINC000110350372 1411845831 /nfs/dbraw/zinc/84/58/31/1411845831.db2.gz XTGNEYCJWVXABJ-MRXNPFEDSA-N 1 0 393.447 3.031 20 5 GGBDRO C[C@@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[N@H+](C)Cc1ccccc1 ZINC000110350369 1411846001 /nfs/dbraw/zinc/84/60/01/1411846001.db2.gz XTGNEYCJWVXABJ-INIZCTEOSA-N 1 0 393.447 3.031 20 5 GGBDRO Cc1c(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000110353470 1411846265 /nfs/dbraw/zinc/84/62/65/1411846265.db2.gz YNEDSWDHGIYKCZ-ZDUSSCGKSA-N 1 0 386.408 3.062 20 5 GGBDRO Cn1cc(C(=O)NCCCCC[NH+]2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000110438362 1411850834 /nfs/dbraw/zinc/85/08/34/1411850834.db2.gz ZYTHHQIRDATFSD-UHFFFAOYSA-N 1 0 399.495 3.381 20 5 GGBDRO CC[N@@H+]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000110816065 1411871628 /nfs/dbraw/zinc/87/16/28/1411871628.db2.gz VVOLCDMRIIYHDB-UHFFFAOYSA-N 1 0 382.464 3.375 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000110880761 1411875142 /nfs/dbraw/zinc/87/51/42/1411875142.db2.gz JIDYCWDBTHWYTG-INIZCTEOSA-N 1 0 384.436 3.118 20 5 GGBDRO Cc1ccc(S(=O)(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000111050188 1411884474 /nfs/dbraw/zinc/88/44/74/1411884474.db2.gz JIGDYQOFLLPGOQ-OAHLLOKOSA-N 1 0 391.493 3.311 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000111049864 1411884483 /nfs/dbraw/zinc/88/44/83/1411884483.db2.gz XTSCTPBCBWRKHN-HNNXBMFYSA-N 1 0 391.493 3.311 20 5 GGBDRO C[C@H]([NH2+]C(C)(C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000111049714 1411884693 /nfs/dbraw/zinc/88/46/93/1411884693.db2.gz UDDXACROQUCLDZ-AWEZNQCLSA-N 1 0 377.466 3.003 20 5 GGBDRO O=[N+]([O-])c1ccc2nc(NCC[NH+]3CCN(c4ccccc4)CC3)sc2c1 ZINC000111193265 1411895160 /nfs/dbraw/zinc/89/51/60/1411895160.db2.gz NWYRLBPWTPJEIA-UHFFFAOYSA-N 1 0 383.477 3.439 20 5 GGBDRO NC(=O)c1ccc(C[N@@H+](Cc2ccccc2)CC2CCOCC2)c([N+](=O)[O-])c1 ZINC000111261234 1411898414 /nfs/dbraw/zinc/89/84/14/1411898414.db2.gz WNRZJYYALXPJAR-UHFFFAOYSA-N 1 0 383.448 3.123 20 5 GGBDRO C[C@@H]1C[C@H](NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177177757 1428616389 /nfs/dbraw/zinc/61/63/89/1428616389.db2.gz GJJUVGXSOODECT-WBVHZDCISA-N 1 0 386.496 3.186 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000112186595 1412090108 /nfs/dbraw/zinc/09/01/08/1412090108.db2.gz LOEHKXUNANQRBA-UHFFFAOYSA-N 1 0 377.510 3.005 20 5 GGBDRO Cc1cccc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)c1[N+](=O)[O-] ZINC000112186615 1412090333 /nfs/dbraw/zinc/09/03/33/1412090333.db2.gz UZNQCCDAQUGYHT-UHFFFAOYSA-N 1 0 377.510 3.385 20 5 GGBDRO COc1ccc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)cc1[N+](=O)[O-] ZINC000112186849 1412090415 /nfs/dbraw/zinc/09/04/15/1412090415.db2.gz OKAARXYAVGZXDR-UHFFFAOYSA-N 1 0 393.509 3.085 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1c[nH]c2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000112532108 1412164298 /nfs/dbraw/zinc/16/42/98/1412164298.db2.gz NEMQTDQSKJDUDZ-CABCVRRESA-N 1 0 380.448 3.474 20 5 GGBDRO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000112699736 1412195825 /nfs/dbraw/zinc/19/58/25/1412195825.db2.gz SPVPBUTZOLXQCL-INIZCTEOSA-N 1 0 377.485 3.238 20 5 GGBDRO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000112699737 1412196428 /nfs/dbraw/zinc/19/64/28/1412196428.db2.gz SPVPBUTZOLXQCL-MRXNPFEDSA-N 1 0 377.485 3.238 20 5 GGBDRO CCN(C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1)CC(F)(F)F ZINC000177208501 1428633076 /nfs/dbraw/zinc/63/30/76/1428633076.db2.gz DGASGCDDTNQREV-LBPRGKRZSA-N 1 0 386.374 3.442 20 5 GGBDRO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000112982350 1412250010 /nfs/dbraw/zinc/25/00/10/1412250010.db2.gz UWYJWTVTGLIRMW-QGZVFWFLSA-N 1 0 386.452 3.125 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000113093334 1412261464 /nfs/dbraw/zinc/26/14/64/1412261464.db2.gz VGVPAGNMSYRFMZ-UHFFFAOYSA-N 1 0 383.448 3.340 20 5 GGBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000113196199 1412273868 /nfs/dbraw/zinc/27/38/68/1412273868.db2.gz BJIRKPKNFQACBB-AWEZNQCLSA-N 1 0 378.429 3.114 20 5 GGBDRO C[C@H]([NH2+]C1(CNC(=O)Cc2ccccc2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000113235026 1412279542 /nfs/dbraw/zinc/27/95/42/1412279542.db2.gz MJAZYOZEZOVLNR-KRWDZBQOSA-N 1 0 397.475 3.154 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCCOC[C@H]3CCCO3)cs2)c1 ZINC000113315702 1412291507 /nfs/dbraw/zinc/29/15/07/1412291507.db2.gz QSWGXSRHHIMLHJ-QGZVFWFLSA-N 1 0 377.466 3.394 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCCOC[C@@H]3CCCO3)cs2)c1 ZINC000113315699 1412291707 /nfs/dbraw/zinc/29/17/07/1412291707.db2.gz QSWGXSRHHIMLHJ-KRWDZBQOSA-N 1 0 377.466 3.394 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C3CCC4(CC3)OCCO4)cs2)c1 ZINC000113323558 1412292739 /nfs/dbraw/zinc/29/27/39/1412292739.db2.gz UKURKCCULLYGKQ-UHFFFAOYSA-N 1 0 375.450 3.494 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CCN(CC(F)(F)F)C3)cs2)c1 ZINC000113331152 1412293321 /nfs/dbraw/zinc/29/33/21/1412293321.db2.gz FWIIWUZPTZIMRI-GFCCVEGCSA-N 1 0 386.399 3.445 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CCN(CC(F)(F)F)C3)cs2)c1 ZINC000113331153 1412293547 /nfs/dbraw/zinc/29/35/47/1412293547.db2.gz FWIIWUZPTZIMRI-LBPRGKRZSA-N 1 0 386.399 3.445 20 5 GGBDRO COc1cc(C[NH2+]CCCOc2cccc3cccnc32)c([N+](=O)[O-])cc1O ZINC000113342992 1412294962 /nfs/dbraw/zinc/29/49/62/1412294962.db2.gz CVBZFLYGKWFJEE-UHFFFAOYSA-N 1 0 383.404 3.416 20 5 GGBDRO COc1ccc(C[NH2+]C2CCN(C(=O)NC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000113352066 1412297266 /nfs/dbraw/zinc/29/72/66/1412297266.db2.gz HUPBQGKEPSDIMM-UHFFFAOYSA-N 1 0 390.484 3.200 20 5 GGBDRO CCCc1n[nH]c(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1[N+](=O)[O-] ZINC000113413078 1412304799 /nfs/dbraw/zinc/30/47/99/1412304799.db2.gz LVAZWSWVMNDDGN-UHFFFAOYSA-N 1 0 377.489 3.189 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000113900822 1412347915 /nfs/dbraw/zinc/34/79/15/1412347915.db2.gz UIZWDDFRFLSUHL-HOTGVXAUSA-N 1 0 375.469 3.330 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000113944960 1412357159 /nfs/dbraw/zinc/35/71/59/1412357159.db2.gz LQTBZRBLZJTMGE-GJZGRUSLSA-N 1 0 399.488 3.009 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000113945173 1412357222 /nfs/dbraw/zinc/35/72/22/1412357222.db2.gz IKDHZCDOJZWGES-CABCVRRESA-N 1 0 399.488 3.009 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000113945134 1412357444 /nfs/dbraw/zinc/35/74/44/1412357444.db2.gz ICENINURMDFYAZ-DLBZAZTESA-N 1 0 395.525 3.178 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000113944957 1412357513 /nfs/dbraw/zinc/35/75/13/1412357513.db2.gz LQTBZRBLZJTMGE-CABCVRRESA-N 1 0 399.488 3.009 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000114022820 1412370546 /nfs/dbraw/zinc/37/05/46/1412370546.db2.gz OQCWIZSUSGQHTR-MJGOQNOKSA-N 1 0 388.512 3.433 20 5 GGBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000114054170 1412377899 /nfs/dbraw/zinc/37/78/99/1412377899.db2.gz WFTRRWTVGQRWFL-UHFFFAOYSA-N 1 0 377.466 3.328 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000114400120 1412427084 /nfs/dbraw/zinc/42/70/84/1412427084.db2.gz ONWLWIQELJNDDC-OAHLLOKOSA-N 1 0 399.447 3.419 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000114469290 1412440057 /nfs/dbraw/zinc/44/00/57/1412440057.db2.gz XPRMGNZPVJSPTM-GOSISDBHSA-N 1 0 383.448 3.214 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000114469292 1412440754 /nfs/dbraw/zinc/44/07/54/1412440754.db2.gz XPRMGNZPVJSPTM-SFHVURJKSA-N 1 0 383.448 3.214 20 5 GGBDRO CCCC[N@H+](C)CC1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000114475731 1412441342 /nfs/dbraw/zinc/44/13/42/1412441342.db2.gz GOQOXRZHSOLWHV-HXUWFJFHSA-N 1 0 388.512 3.144 20 5 GGBDRO Cc1c(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000114643894 1412484572 /nfs/dbraw/zinc/48/45/72/1412484572.db2.gz KQBOVWYVVUVVLT-INIZCTEOSA-N 1 0 398.419 3.206 20 5 GGBDRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000114644001 1412485222 /nfs/dbraw/zinc/48/52/22/1412485222.db2.gz VTIIGNKELRCJGW-CQSZACIVSA-N 1 0 375.375 3.267 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000115271242 1412627566 /nfs/dbraw/zinc/62/75/66/1412627566.db2.gz AAGHJCXCCSEOGS-GDBMZVCRSA-N 1 0 395.525 3.184 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000115271239 1412628047 /nfs/dbraw/zinc/62/80/47/1412628047.db2.gz AAGHJCXCCSEOGS-ZBFHGGJFSA-N 1 0 395.525 3.184 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000115271030 1412628068 /nfs/dbraw/zinc/62/80/68/1412628068.db2.gz OMMSDZCEEXIQPU-CJNGLKHVSA-N 1 0 383.876 3.115 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000115274832 1412630123 /nfs/dbraw/zinc/63/01/23/1412630123.db2.gz GAPYSZJXOQJEHY-CJNGLKHVSA-N 1 0 383.876 3.115 20 5 GGBDRO CC1CCC([NH+]2CCN(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)CC2)CC1 ZINC000115514994 1412698986 /nfs/dbraw/zinc/69/89/86/1412698986.db2.gz NCKQNFJEUDDZED-UHFFFAOYSA-N 1 0 384.484 3.007 20 5 GGBDRO Cc1c(NC(=O)CCN2CC[NH+](C3CCC(C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000115567137 1412714031 /nfs/dbraw/zinc/71/40/31/1412714031.db2.gz ZSVROHWFIWVRHR-UHFFFAOYSA-N 1 0 388.512 3.428 20 5 GGBDRO CC1CCC([NH+]2CCN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000115565830 1412714208 /nfs/dbraw/zinc/71/42/08/1412714208.db2.gz IZNNQXXMXQBARI-UHFFFAOYSA-N 1 0 394.903 3.383 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000115702690 1412766423 /nfs/dbraw/zinc/76/64/23/1412766423.db2.gz YUKHRPUFFSVDLM-GJYPPUQNSA-N 1 0 392.500 3.092 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000115748721 1412776827 /nfs/dbraw/zinc/77/68/27/1412776827.db2.gz BUSUTIIVDSCJPW-GDBMZVCRSA-N 1 0 378.473 3.162 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000115745253 1412777152 /nfs/dbraw/zinc/77/71/52/1412777152.db2.gz ZCEZBKVZSQJWKM-WBVHZDCISA-N 1 0 378.473 3.162 20 5 GGBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000115916406 1412814703 /nfs/dbraw/zinc/81/47/03/1412814703.db2.gz PEDDKFGHXGUJOI-HOTGVXAUSA-N 1 0 377.485 3.236 20 5 GGBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000116064719 1412827007 /nfs/dbraw/zinc/82/70/07/1412827007.db2.gz OCRYYBSZYKEDDM-MRXNPFEDSA-N 1 0 383.448 3.315 20 5 GGBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000116065290 1412827273 /nfs/dbraw/zinc/82/72/73/1412827273.db2.gz YUSRBVJQNFWBSJ-INIZCTEOSA-N 1 0 383.448 3.315 20 5 GGBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000116065292 1412827422 /nfs/dbraw/zinc/82/74/22/1412827422.db2.gz YUSRBVJQNFWBSJ-MRXNPFEDSA-N 1 0 383.448 3.315 20 5 GGBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000116358449 1412852548 /nfs/dbraw/zinc/85/25/48/1412852548.db2.gz WEYRYQMOLJXXKB-HNNXBMFYSA-N 1 0 389.477 3.099 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000116618440 1412887652 /nfs/dbraw/zinc/88/76/52/1412887652.db2.gz QQBAMWGPDUPNAF-QGZVFWFLSA-N 1 0 391.855 3.436 20 5 GGBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116738712 1412911837 /nfs/dbraw/zinc/91/18/37/1412911837.db2.gz VJZAIOJMMJBVHH-CQSZACIVSA-N 1 0 383.876 3.254 20 5 GGBDRO C[NH+](C)CCOc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Cl ZINC000116816276 1412929203 /nfs/dbraw/zinc/92/92/03/1412929203.db2.gz SLSQOLIKTDCSOA-UHFFFAOYSA-N 1 0 377.828 3.370 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000117574866 1413053768 /nfs/dbraw/zinc/05/37/68/1413053768.db2.gz RNVKKQRYJJFDKO-INIZCTEOSA-N 1 0 377.828 3.337 20 5 GGBDRO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000117600254 1413054690 /nfs/dbraw/zinc/05/46/90/1413054690.db2.gz RZYUPIXTZFEPKU-CQSZACIVSA-N 1 0 387.867 3.354 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000117746555 1413074040 /nfs/dbraw/zinc/07/40/40/1413074040.db2.gz LUULGTGFNIWHCS-QGZVFWFLSA-N 1 0 375.856 3.080 20 5 GGBDRO COc1ccc(C(=O)N2CCC([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)cc1OC ZINC000118452218 1413161812 /nfs/dbraw/zinc/16/18/12/1413161812.db2.gz NOACOVNVCIYHRT-UHFFFAOYSA-N 1 0 399.447 3.006 20 5 GGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000118828537 1413234944 /nfs/dbraw/zinc/23/49/44/1413234944.db2.gz QZOJEVMXUVEFPP-HIFRSBDPSA-N 1 0 380.876 3.135 20 5 GGBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000118828552 1413235144 /nfs/dbraw/zinc/23/51/44/1413235144.db2.gz KFCQTAKQWMVWIF-ZFWWWQNUSA-N 1 0 380.876 3.135 20 5 GGBDRO CC1CC[NH+](C[C@@H]2CCCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000118832851 1413236787 /nfs/dbraw/zinc/23/67/87/1413236787.db2.gz YMJNVKLNFYRLFM-GOSISDBHSA-N 1 0 388.512 3.367 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN([C@H](C)c2cccnc2)CC1 ZINC000118835816 1413237701 /nfs/dbraw/zinc/23/77/01/1413237701.db2.gz JVHUDODOKSEDFF-QGZVFWFLSA-N 1 0 397.479 3.006 20 5 GGBDRO Cc1cc2oc(=O)cc(C[N@@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)c2cc1C ZINC000118866559 1413252608 /nfs/dbraw/zinc/25/26/08/1413252608.db2.gz UTMVWSOQPUQMEP-INIZCTEOSA-N 1 0 394.431 3.399 20 5 GGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCCc3nc(-c4ccccc4)no3)C2)nc1 ZINC000118866026 1413252897 /nfs/dbraw/zinc/25/28/97/1413252897.db2.gz CYSYNDKCNRTSKQ-MRXNPFEDSA-N 1 0 394.435 3.159 20 5 GGBDRO Cc1ccc([C@H](C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])N2CCOCC2)o1 ZINC000119015078 1413305092 /nfs/dbraw/zinc/30/50/92/1413305092.db2.gz MAHALKFENIJDNK-UZLBHIALSA-N 1 0 387.480 3.480 20 5 GGBDRO C[N@H+](CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)Cc1ccccc1 ZINC000119195473 1413372776 /nfs/dbraw/zinc/37/27/76/1413372776.db2.gz VXGFIJVGWSZRSW-UHFFFAOYSA-N 1 0 382.464 3.401 20 5 GGBDRO CC[NH+](CC)[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccco1 ZINC000119260056 1413392329 /nfs/dbraw/zinc/39/23/29/1413392329.db2.gz XXJMNLFRFNDWOO-GOSISDBHSA-N 1 0 384.436 3.411 20 5 GGBDRO COC(=O)[C@@H](C)[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000177411781 1428724617 /nfs/dbraw/zinc/72/46/17/1428724617.db2.gz BGMCBLBTWPUJNC-MGPUTAFESA-N 1 0 399.447 3.372 20 5 GGBDRO CCOC(=O)c1ccnc(NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000119293614 1413402106 /nfs/dbraw/zinc/40/21/06/1413402106.db2.gz DRFYLUSUHSHWFX-CQSZACIVSA-N 1 0 399.451 3.199 20 5 GGBDRO C[NH+]1CCN(Cc2cccc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)c2)CC1 ZINC000119302249 1413404538 /nfs/dbraw/zinc/40/45/38/1413404538.db2.gz OUXACKOACMZJEZ-UHFFFAOYSA-N 1 0 388.855 3.248 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000119399706 1413434686 /nfs/dbraw/zinc/43/46/86/1413434686.db2.gz PODJDZMLXBSCQY-CYBMUJFWSA-N 1 0 383.514 3.039 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000119687851 1413531842 /nfs/dbraw/zinc/53/18/42/1413531842.db2.gz LQHPBRNHGVOHNP-VFNWGFHPSA-N 1 0 392.459 3.255 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000119721029 1413544284 /nfs/dbraw/zinc/54/42/84/1413544284.db2.gz UXHTVCADABFCAC-PXAZEXFGSA-N 1 0 375.375 3.123 20 5 GGBDRO COc1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)ccc1[N+](=O)[O-] ZINC000119760201 1413558899 /nfs/dbraw/zinc/55/88/99/1413558899.db2.gz IMOJDHGESWGULF-AWEZNQCLSA-N 1 0 389.477 3.307 20 5 GGBDRO C[C@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000119769618 1413562698 /nfs/dbraw/zinc/56/26/98/1413562698.db2.gz ANENZUPNQXXHJS-INIZCTEOSA-N 1 0 382.464 3.349 20 5 GGBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000119769762 1413562710 /nfs/dbraw/zinc/56/27/10/1413562710.db2.gz QXWVCYAVESSIER-ZIAGYGMSSA-N 1 0 383.876 3.110 20 5 GGBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000177441983 1428738380 /nfs/dbraw/zinc/73/83/80/1428738380.db2.gz RSBKJASNMCZJID-DLBZAZTESA-N 1 0 377.488 3.144 20 5 GGBDRO COc1ccc(-c2ccc(CNc3ccn(CC[NH+](C)C)n3)o2)c([N+](=O)[O-])c1 ZINC000119818738 1413580659 /nfs/dbraw/zinc/58/06/59/1413580659.db2.gz CUYFUKJPWNMPFO-UHFFFAOYSA-N 1 0 385.424 3.234 20 5 GGBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)o1 ZINC000119904057 1413611643 /nfs/dbraw/zinc/61/16/43/1413611643.db2.gz MJQZBBSLZSGMIV-UHFFFAOYSA-N 1 0 384.436 3.110 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000119993569 1413645335 /nfs/dbraw/zinc/64/53/35/1413645335.db2.gz RUUHFHDATGZETE-UHFFFAOYSA-N 1 0 386.452 3.474 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000120038037 1413663084 /nfs/dbraw/zinc/66/30/84/1413663084.db2.gz NVNLAUCNGOUGIF-CQSZACIVSA-N 1 0 393.484 3.242 20 5 GGBDRO COc1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1[N+](=O)[O-] ZINC000120132217 1413700882 /nfs/dbraw/zinc/70/08/82/1413700882.db2.gz NSSPJVBVSRFPTL-INIZCTEOSA-N 1 0 385.468 3.301 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)[C@H](C)C1 ZINC000120198491 1413727816 /nfs/dbraw/zinc/72/78/16/1413727816.db2.gz KFTZXCWGWVRGOO-IAGOWNOFSA-N 1 0 392.500 3.470 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000120205752 1413730493 /nfs/dbraw/zinc/73/04/93/1413730493.db2.gz DJSYDNFCWVCPQA-SFHVURJKSA-N 1 0 388.512 3.286 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000120214673 1413734931 /nfs/dbraw/zinc/73/49/31/1413734931.db2.gz XLJNYPDEXMVINY-SFHVURJKSA-N 1 0 388.512 3.286 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC000120241981 1413747644 /nfs/dbraw/zinc/74/76/44/1413747644.db2.gz QIHPKQPNGJJZFJ-GJZGRUSLSA-N 1 0 378.473 3.221 20 5 GGBDRO COc1cc(C(=O)NCC[NH+](C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000120317896 1413783135 /nfs/dbraw/zinc/78/31/35/1413783135.db2.gz ZXONWIJOBCDPRN-UHFFFAOYSA-N 1 0 393.827 3.341 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000120321418 1413785321 /nfs/dbraw/zinc/78/53/21/1413785321.db2.gz NDVKSGGHVJVHCO-UHFFFAOYSA-N 1 0 386.452 3.130 20 5 GGBDRO C[C@@H]1C[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000120493877 1413829703 /nfs/dbraw/zinc/82/97/03/1413829703.db2.gz LSDVMAYQBOQCLO-YLJYHZDGSA-N 1 0 396.491 3.490 20 5 GGBDRO C[C@H]1C[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000120494364 1413829730 /nfs/dbraw/zinc/82/97/30/1413829730.db2.gz LSDVMAYQBOQCLO-PXNSSMCTSA-N 1 0 396.491 3.490 20 5 GGBDRO C[C@@H]1C[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000120494211 1413829790 /nfs/dbraw/zinc/82/97/90/1413829790.db2.gz LSDVMAYQBOQCLO-XLIONFOSSA-N 1 0 396.491 3.490 20 5 GGBDRO C[C@H]1C[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000120494047 1413829888 /nfs/dbraw/zinc/82/98/88/1413829888.db2.gz LSDVMAYQBOQCLO-FXAWDEMLSA-N 1 0 396.491 3.490 20 5 GGBDRO C[C@@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@@H+]1Cc1ccccc1 ZINC000177477422 1428758974 /nfs/dbraw/zinc/75/89/74/1428758974.db2.gz DGSYRSIRFHHDSC-CJNGLKHVSA-N 1 0 386.427 3.099 20 5 GGBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000120596709 1413851280 /nfs/dbraw/zinc/85/12/80/1413851280.db2.gz QACFZLZBZZLARE-WBVHZDCISA-N 1 0 396.875 3.138 20 5 GGBDRO CCO[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1(C)C ZINC000120603388 1413853002 /nfs/dbraw/zinc/85/30/02/1413853002.db2.gz PRWZLCQXPFKMNJ-IAGOWNOFSA-N 1 0 379.457 3.067 20 5 GGBDRO CCO[C@H]1C[C@H]([N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1(C)C ZINC000120650415 1413865759 /nfs/dbraw/zinc/86/57/59/1413865759.db2.gz COUBKAAXAZGODU-IRXDYDNUSA-N 1 0 377.441 3.028 20 5 GGBDRO COc1cc(CN2CCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000120705224 1413879825 /nfs/dbraw/zinc/87/98/25/1413879825.db2.gz VRVGGNMRHQFAND-CQSZACIVSA-N 1 0 385.411 3.265 20 5 GGBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000120707492 1413880438 /nfs/dbraw/zinc/88/04/38/1413880438.db2.gz ZCIRIEHZTXLKIX-LBPRGKRZSA-N 1 0 386.399 3.296 20 5 GGBDRO CC1CCN(c2ccc(C(=O)N(C)[C@H]3CC[N@H+](C)C[C@@H]3C)cc2[N+](=O)[O-])CC1 ZINC000120734654 1413888132 /nfs/dbraw/zinc/88/81/32/1413888132.db2.gz WMGHLOLXYUEGFR-WMZOPIPTSA-N 1 0 388.512 3.243 20 5 GGBDRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000120751188 1413892122 /nfs/dbraw/zinc/89/21/22/1413892122.db2.gz SWHZHORCOXUGGV-UHFFFAOYSA-N 1 0 387.411 3.191 20 5 GGBDRO Cc1ccc(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000120825229 1413916761 /nfs/dbraw/zinc/91/67/61/1413916761.db2.gz OGLLSQLMRAPZCJ-UHFFFAOYSA-N 1 0 396.447 3.119 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000120998067 1413972021 /nfs/dbraw/zinc/97/20/21/1413972021.db2.gz NFVSIRWLZPMPRO-SFHVURJKSA-N 1 0 396.491 3.438 20 5 GGBDRO C[N@H+](CCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)Cc1ccccc1 ZINC000121015745 1413977820 /nfs/dbraw/zinc/97/78/20/1413977820.db2.gz GSHQPWQMBZZSFT-UHFFFAOYSA-N 1 0 382.464 3.401 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)Cc1ccccc1 ZINC000121033446 1413983798 /nfs/dbraw/zinc/98/37/98/1413983798.db2.gz KXVHVLHNWGECJO-INIZCTEOSA-N 1 0 378.432 3.046 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1cccc(F)c1 ZINC000121036765 1413985158 /nfs/dbraw/zinc/98/51/58/1413985158.db2.gz DBVSDQCWTMJXCQ-GOSISDBHSA-N 1 0 382.395 3.315 20 5 GGBDRO C[N@H+](CCCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)Cc1ccccc1 ZINC000121056172 1413990951 /nfs/dbraw/zinc/99/09/51/1413990951.db2.gz NXGRNABUVFETKZ-UHFFFAOYSA-N 1 0 378.432 3.395 20 5 GGBDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000121120188 1414014505 /nfs/dbraw/zinc/01/45/05/1414014505.db2.gz SCELCBHKJOBAGF-ZBFHGGJFSA-N 1 0 387.484 3.227 20 5 GGBDRO CC(C)[C@H](CO)[N@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000121126053 1414016762 /nfs/dbraw/zinc/01/67/62/1414016762.db2.gz WOJKFIFWTUOHQM-FQEVSTJZSA-N 1 0 386.448 3.480 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](Cc1ccccc1)[C@@H](CO)C(C)C ZINC000121127998 1414017316 /nfs/dbraw/zinc/01/73/16/1414017316.db2.gz KGJIJFHMLUBPLX-IBGZPJMESA-N 1 0 385.464 3.361 20 5 GGBDRO CNC(=O)c1ccc(CN(C)Cc2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC000121151633 1414025786 /nfs/dbraw/zinc/02/57/86/1414025786.db2.gz RNJBFKJPIFCQPP-UHFFFAOYSA-N 1 0 392.253 3.349 20 5 GGBDRO CCN(CC)C(=O)C1([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CCCCC1 ZINC000121170216 1414032165 /nfs/dbraw/zinc/03/21/65/1414032165.db2.gz BASINXRKMIRGDI-UHFFFAOYSA-N 1 0 390.484 3.003 20 5 GGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000121175907 1414033802 /nfs/dbraw/zinc/03/38/02/1414033802.db2.gz HASDUEPHVYDJEK-CRAIPNDOSA-N 1 0 386.452 3.332 20 5 GGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000121175700 1414034117 /nfs/dbraw/zinc/03/41/17/1414034117.db2.gz HASDUEPHVYDJEK-QAPCUYQASA-N 1 0 386.452 3.332 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000121183036 1414036415 /nfs/dbraw/zinc/03/64/15/1414036415.db2.gz BTMTYWPVIGAFSL-MRXNPFEDSA-N 1 0 393.447 3.351 20 5 GGBDRO COc1cc(C[NH2+]C2CCN(C)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000121198007 1414041406 /nfs/dbraw/zinc/04/14/06/1414041406.db2.gz KWPMFRXNAQEPHP-UHFFFAOYSA-N 1 0 385.464 3.366 20 5 GGBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000121222459 1414048534 /nfs/dbraw/zinc/04/85/34/1414048534.db2.gz QLGHFGSKBLFJDG-UHFFFAOYSA-N 1 0 396.241 3.154 20 5 GGBDRO Cc1nn(CN2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121244992 1414056483 /nfs/dbraw/zinc/05/64/83/1414056483.db2.gz ILUBKCMMDIPINN-HNNXBMFYSA-N 1 0 389.456 3.152 20 5 GGBDRO Cc1nn(CN2CCC(OC[C@@H]3CCCCO3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121245854 1414056958 /nfs/dbraw/zinc/05/69/58/1414056958.db2.gz HHUHWGIJARDDSV-SFHVURJKSA-N 1 0 388.468 3.261 20 5 GGBDRO O=C(Nc1ccccc1O)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000121255577 1414060740 /nfs/dbraw/zinc/06/07/40/1414060740.db2.gz LOTANUIEWONIAP-UHFFFAOYSA-N 1 0 385.420 3.030 20 5 GGBDRO Cc1c(C(=O)N2CC[N@@H+](C)CC23CCCCC3)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000177514768 1428778013 /nfs/dbraw/zinc/77/80/13/1428778013.db2.gz YZJRALGEQLLDEI-UHFFFAOYSA-N 1 0 390.440 3.210 20 5 GGBDRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000121291657 1414074102 /nfs/dbraw/zinc/07/41/02/1414074102.db2.gz AUGYVGSVXTVCKS-UHFFFAOYSA-N 1 0 386.290 3.388 20 5 GGBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000177532992 1428784295 /nfs/dbraw/zinc/78/42/95/1428784295.db2.gz FPRZUGREWPWMDL-WCQYABFASA-N 1 0 384.383 3.287 20 5 GGBDRO CC(C)[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000121513732 1414158198 /nfs/dbraw/zinc/15/81/98/1414158198.db2.gz MUORFAIIXRLJLH-OAQYLSRUSA-N 1 0 399.447 3.316 20 5 GGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCN3CCc4ccccc4C3)CC2)cc1 ZINC000121768665 1414251028 /nfs/dbraw/zinc/25/10/28/1414251028.db2.gz ZYEUCJBJSONJPH-UHFFFAOYSA-N 1 0 380.492 3.212 20 5 GGBDRO COc1ccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000121814148 1414266237 /nfs/dbraw/zinc/26/62/37/1414266237.db2.gz JEOXEFOLLRGPJV-PBHICJAKSA-N 1 0 384.436 3.245 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121892758 1414295276 /nfs/dbraw/zinc/29/52/76/1414295276.db2.gz NLMXPNWLWCRWHH-UHFFFAOYSA-N 1 0 388.512 3.430 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1CNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000177577553 1428800940 /nfs/dbraw/zinc/80/09/40/1428800940.db2.gz JCROTTIBMGEJSS-UHFFFAOYSA-N 1 0 398.507 3.424 20 5 GGBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000122093451 1414360625 /nfs/dbraw/zinc/36/06/25/1414360625.db2.gz ZQMUDEUCCXVUND-FQEVSTJZSA-N 1 0 396.491 3.354 20 5 GGBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000122093246 1414361011 /nfs/dbraw/zinc/36/10/11/1414361011.db2.gz ZQMUDEUCCXVUND-HXUWFJFHSA-N 1 0 396.491 3.354 20 5 GGBDRO CC(C)CC[NH+]1CCC(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000122524635 1414490041 /nfs/dbraw/zinc/49/00/41/1414490041.db2.gz OPPHOPKLIJMDLU-UHFFFAOYSA-N 1 0 386.496 3.493 20 5 GGBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000122545191 1414496763 /nfs/dbraw/zinc/49/67/63/1414496763.db2.gz JNIDRJRGSJBNNA-HUUCEWRRSA-N 1 0 382.464 3.063 20 5 GGBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000122556867 1414499859 /nfs/dbraw/zinc/49/98/59/1414499859.db2.gz NGGYMEYTKJTYRU-IRXDYDNUSA-N 1 0 396.491 3.280 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000122820188 1414573231 /nfs/dbraw/zinc/57/32/31/1414573231.db2.gz PWSBQJUNCDJBNL-AWEZNQCLSA-N 1 0 399.451 3.346 20 5 GGBDRO CCN(C[C@@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1)CC(F)(F)F ZINC000177638783 1428819266 /nfs/dbraw/zinc/81/92/66/1428819266.db2.gz SRWGKUHJMGDTDN-ZDUSSCGKSA-N 1 0 385.390 3.108 20 5 GGBDRO CCC[C@H]([NH2+]C1CCN(S(=O)(=O)CCC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000122911455 1414595246 /nfs/dbraw/zinc/59/52/46/1414595246.db2.gz NMWDUNRGESFIAI-SFHVURJKSA-N 1 0 383.514 3.230 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000122921193 1414597518 /nfs/dbraw/zinc/59/75/18/1414597518.db2.gz KQBYYORJVHDFNH-UHFFFAOYSA-N 1 0 384.436 3.343 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000122981576 1414612128 /nfs/dbraw/zinc/61/21/28/1414612128.db2.gz PLERZIAQRNNHKN-UHFFFAOYSA-N 1 0 390.415 3.338 20 5 GGBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(CO)COC2)ccc1Oc1ccccc1Cl ZINC000123041815 1414625491 /nfs/dbraw/zinc/62/54/91/1414625491.db2.gz YWOCWZXXNNWFCS-UHFFFAOYSA-N 1 0 378.812 3.139 20 5 GGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000123190566 1414664529 /nfs/dbraw/zinc/66/45/29/1414664529.db2.gz DAQUXMZGJFLJNI-HNNXBMFYSA-N 1 0 389.477 3.028 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000123735333 1414817614 /nfs/dbraw/zinc/81/76/14/1414817614.db2.gz RPSDIXLSBSFHOD-IAGOWNOFSA-N 1 0 393.509 3.218 20 5 GGBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000123746846 1414819363 /nfs/dbraw/zinc/81/93/63/1414819363.db2.gz RDMCBQICZIVIST-SFHVURJKSA-N 1 0 382.464 3.425 20 5 GGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000123884703 1414842339 /nfs/dbraw/zinc/84/23/39/1414842339.db2.gz VEKAGDDFRQQUQW-HNNXBMFYSA-N 1 0 387.484 3.236 20 5 GGBDRO Cn1cc(C[NH2+]C[C@@H](O)c2c(F)cccc2F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000124000138 1414866287 /nfs/dbraw/zinc/86/62/87/1414866287.db2.gz DJCNIXHROKYNNB-QGZVFWFLSA-N 1 0 388.374 3.097 20 5 GGBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)n1 ZINC000124129527 1414891238 /nfs/dbraw/zinc/89/12/38/1414891238.db2.gz PRHSIDSYUSNJIV-SFHVURJKSA-N 1 0 394.410 3.311 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000124171889 1414899718 /nfs/dbraw/zinc/89/97/18/1414899718.db2.gz OTJZYCGCIAYOSV-NVXWUHKLSA-N 1 0 383.448 3.495 20 5 GGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000124331133 1414941455 /nfs/dbraw/zinc/94/14/55/1414941455.db2.gz PKRBUEWVWHGJIG-CYBMUJFWSA-N 1 0 389.905 3.052 20 5 GGBDRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000124931237 1415074914 /nfs/dbraw/zinc/07/49/14/1415074914.db2.gz WLPUMRQMOJSAAO-ICSRJNTNSA-N 1 0 386.448 3.256 20 5 GGBDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000125036609 1415096529 /nfs/dbraw/zinc/09/65/29/1415096529.db2.gz VHGQFCBGERLHMG-QGZVFWFLSA-N 1 0 382.464 3.321 20 5 GGBDRO Cc1ccc([C@@H](C)NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)cc1[N+](=O)[O-] ZINC000177851096 1428872537 /nfs/dbraw/zinc/87/25/37/1428872537.db2.gz SIUUZFUGTWHBEK-QGZVFWFLSA-N 1 0 396.491 3.142 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(OC3CCCCC3)CC2)c1 ZINC000125488287 1415212819 /nfs/dbraw/zinc/21/28/19/1415212819.db2.gz GAAOQUGDGUOBNV-QGZVFWFLSA-N 1 0 378.469 3.148 20 5 GGBDRO O=[N+]([O-])c1cnn(CCN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c1 ZINC000125771889 1415276572 /nfs/dbraw/zinc/27/65/72/1415276572.db2.gz POGVZIUOCMMQSU-UHFFFAOYSA-N 1 0 389.459 3.179 20 5 GGBDRO COc1cc(C[N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000125943071 1415318507 /nfs/dbraw/zinc/31/85/07/1415318507.db2.gz QXAJOMMRHIXENF-UHFFFAOYSA-N 1 0 382.420 3.342 20 5 GGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)c1 ZINC000126070902 1415350395 /nfs/dbraw/zinc/35/03/95/1415350395.db2.gz VCRNVIBHHGLJNS-IBGZPJMESA-N 1 0 375.856 3.411 20 5 GGBDRO O=C(C[N@H+](C1CC1)[C@H]1CCc2ccccc21)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000126104778 1415359398 /nfs/dbraw/zinc/35/93/98/1415359398.db2.gz PDOWUMYGJRHRQR-KRWDZBQOSA-N 1 0 395.415 3.414 20 5 GGBDRO Cc1ccc(CN2CCOCC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000126115330 1415361338 /nfs/dbraw/zinc/36/13/38/1415361338.db2.gz FRKJMYYLFVEHCS-UHFFFAOYSA-N 1 0 398.463 3.054 20 5 GGBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126480275 1415465963 /nfs/dbraw/zinc/46/59/63/1415465963.db2.gz JCEXCKPYOWVYHJ-UZLBHIALSA-N 1 0 398.507 3.284 20 5 GGBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000126530912 1415479302 /nfs/dbraw/zinc/47/93/02/1415479302.db2.gz HWMZOBYTWYWPAE-FQEVSTJZSA-N 1 0 396.491 3.301 20 5 GGBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126843150 1415582551 /nfs/dbraw/zinc/58/25/51/1415582551.db2.gz ANYHVVYRKXOOSR-UHFFFAOYSA-N 1 0 387.411 3.485 20 5 GGBDRO O=C(NC[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000178056869 1428959557 /nfs/dbraw/zinc/95/95/57/1428959557.db2.gz QLOPUSWORHWVIJ-KRWDZBQOSA-N 1 0 383.448 3.116 20 5 GGBDRO O=C(c1cc2ccccc2c2cccnc12)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178081356 1428973540 /nfs/dbraw/zinc/97/35/40/1428973540.db2.gz GXMMJGKOPPKCRK-QGZVFWFLSA-N 1 0 375.472 3.182 20 5 GGBDRO COc1ccc([C@@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C(C)C)cc1 ZINC000127157209 1415674519 /nfs/dbraw/zinc/67/45/19/1415674519.db2.gz AFEHJFRDFGVXKZ-NRFANRHFSA-N 1 0 383.448 3.479 20 5 GGBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178064883 1428965606 /nfs/dbraw/zinc/96/56/06/1428965606.db2.gz CUBAKWZXIIOAKQ-OAHLLOKOSA-N 1 0 398.463 3.089 20 5 GGBDRO CC[NH+]1CCC(n2nccc2NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000127279768 1415716073 /nfs/dbraw/zinc/71/60/73/1415716073.db2.gz ZPXSKPLWLDQHLV-UHFFFAOYSA-N 1 0 396.451 3.111 20 5 GGBDRO C[C@H]1CN(Cc2cccc(CNC(=O)CCc3cccc([N+](=O)[O-])c3)c2)CCO1 ZINC000127285738 1415719327 /nfs/dbraw/zinc/71/93/27/1415719327.db2.gz BRGNOIWOVSJXJN-KRWDZBQOSA-N 1 0 397.475 3.065 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000127571552 1415811476 /nfs/dbraw/zinc/81/14/76/1415811476.db2.gz SWVZJTDDXQBESM-CRAIPNDOSA-N 1 0 398.463 3.066 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000127571041 1415811579 /nfs/dbraw/zinc/81/15/79/1415811579.db2.gz SWVZJTDDXQBESM-QAPCUYQASA-N 1 0 398.463 3.066 20 5 GGBDRO Nc1c(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000178150724 1428999949 /nfs/dbraw/zinc/99/99/49/1428999949.db2.gz GNHSVDRUUUWTGS-UHFFFAOYSA-N 1 0 388.855 3.225 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000127743548 1415842269 /nfs/dbraw/zinc/84/22/69/1415842269.db2.gz SNCHGJPYICDTJS-WBVHZDCISA-N 1 0 392.500 3.470 20 5 GGBDRO COc1cc(C(=O)N[C@H]2CC[NH2+]C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000127768161 1415846932 /nfs/dbraw/zinc/84/69/32/1415846932.db2.gz HFUXLQHAGYJTEU-ZDUSSCGKSA-N 1 0 391.811 3.141 20 5 GGBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000127817514 1415856454 /nfs/dbraw/zinc/85/64/54/1415856454.db2.gz RITHJPJYVFWUDG-IBGZPJMESA-N 1 0 382.464 3.425 20 5 GGBDRO C[NH+](C)CCN(C(=O)c1cc([N+](=O)[O-])ccc1Br)C1CCCC1 ZINC000128065281 1415904719 /nfs/dbraw/zinc/90/47/19/1415904719.db2.gz PVJGBLLYQMVMHN-UHFFFAOYSA-N 1 0 384.274 3.304 20 5 GGBDRO Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc([C@H](C)[NH3+])cc2)ccc1[N+](=O)[O-] ZINC000178242375 1429029793 /nfs/dbraw/zinc/02/97/93/1429029793.db2.gz WYGACPGREOZWLI-LIRRHRJNSA-N 1 0 396.447 3.166 20 5 GGBDRO Cc1c(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000128252259 1415948772 /nfs/dbraw/zinc/94/87/72/1415948772.db2.gz USSQDBAPPHBZHC-JXFKEZNVSA-N 1 0 381.476 3.473 20 5 GGBDRO Cc1cccc(C(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000178246395 1429031867 /nfs/dbraw/zinc/03/18/67/1429031867.db2.gz CIAWPSMLYOQRNE-CALCHBBNSA-N 1 0 389.496 3.255 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000178249436 1429033200 /nfs/dbraw/zinc/03/32/00/1429033200.db2.gz ZOJLPLLZHGJHTK-CALCHBBNSA-N 1 0 389.496 3.255 20 5 GGBDRO Cc1sc(C(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000178254581 1429034458 /nfs/dbraw/zinc/03/44/58/1429034458.db2.gz ABTODIHISFRIHK-OKILXGFUSA-N 1 0 395.525 3.316 20 5 GGBDRO COCC[N@H+](C)CC[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000128487972 1415998697 /nfs/dbraw/zinc/99/86/97/1415998697.db2.gz UIHYOXWSVIHPNT-GOSISDBHSA-N 1 0 389.427 3.173 20 5 GGBDRO CC[C@@H](Cc1ccccc1)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000128657460 1416035303 /nfs/dbraw/zinc/03/53/03/1416035303.db2.gz UIPKHIXUDQLHND-HNNXBMFYSA-N 1 0 385.420 3.215 20 5 GGBDRO CS(=O)(=O)Cc1ccccc1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178297092 1429045081 /nfs/dbraw/zinc/04/50/81/1429045081.db2.gz YSDBKDJSTLDAME-IBGZPJMESA-N 1 0 388.489 3.250 20 5 GGBDRO CCO[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C12CCC2 ZINC000128928555 1416104583 /nfs/dbraw/zinc/10/45/83/1416104583.db2.gz XTKVWFKVWFCAFK-SJORKVTESA-N 1 0 379.432 3.342 20 5 GGBDRO CCC1(CC)[C@H]([NH2+][C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@H]1OC ZINC000178365580 1429061538 /nfs/dbraw/zinc/06/15/38/1429061538.db2.gz JFYNJBLVXFYPEN-JCURWCKSSA-N 1 0 379.457 3.114 20 5 GGBDRO COc1ccc(C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000129054324 1416134457 /nfs/dbraw/zinc/13/44/57/1416134457.db2.gz YXXRYKYKRLGTQB-UHFFFAOYSA-N 1 0 383.448 3.340 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-])c1ccccn1 ZINC000129145466 1416156170 /nfs/dbraw/zinc/15/61/70/1416156170.db2.gz WCYQQJGYSHZYQZ-JTUUTPGSSA-N 1 0 395.463 3.176 20 5 GGBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H]1CN(C)CCO1 ZINC000129339751 1416193498 /nfs/dbraw/zinc/19/34/98/1416193498.db2.gz IEGIODPSMZDZFV-XIKOKIGWSA-N 1 0 379.844 3.317 20 5 GGBDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129572244 1416230122 /nfs/dbraw/zinc/23/01/22/1416230122.db2.gz OOCFKWUUCLCYFR-INIZCTEOSA-N 1 0 375.404 3.240 20 5 GGBDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000129684453 1416248121 /nfs/dbraw/zinc/24/81/21/1416248121.db2.gz JTXPFWLWLDXUEJ-MRXNPFEDSA-N 1 0 395.419 3.392 20 5 GGBDRO O=C(CC[NH2+][C@@H](CCCO)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129894163 1416281462 /nfs/dbraw/zinc/28/14/62/1416281462.db2.gz KIXFIEQIURPSKB-KRWDZBQOSA-N 1 0 375.400 3.166 20 5 GGBDRO Cc1ccc(NC(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000129900872 1416282264 /nfs/dbraw/zinc/28/22/64/1416282264.db2.gz YXKDVUWNDFQSOX-HNNXBMFYSA-N 1 0 398.463 3.087 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000129908662 1416283019 /nfs/dbraw/zinc/28/30/19/1416283019.db2.gz YLMUUNHZCNXPBS-OAHLLOKOSA-N 1 0 398.463 3.087 20 5 GGBDRO Cc1c(NC(=O)C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000129937075 1416288221 /nfs/dbraw/zinc/28/82/21/1416288221.db2.gz NEJAWHJCXAUFFU-OAHLLOKOSA-N 1 0 398.463 3.087 20 5 GGBDRO CC(C)(O)C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccccc1 ZINC000130032621 1416305610 /nfs/dbraw/zinc/30/56/10/1416305610.db2.gz KVQCNMWUIGTOKK-UHFFFAOYSA-N 1 0 389.427 3.336 20 5 GGBDRO COc1ccccc1CC(=O)N1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000130155673 1416329186 /nfs/dbraw/zinc/32/91/86/1416329186.db2.gz GXZBUHCOVOEAHP-MRXNPFEDSA-N 1 0 397.475 3.488 20 5 GGBDRO Cc1nccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000130349667 1416362658 /nfs/dbraw/zinc/36/26/58/1416362658.db2.gz SGBWUFGECDPQAA-LBPRGKRZSA-N 1 0 379.848 3.102 20 5 GGBDRO Cc1nccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000130349910 1416362932 /nfs/dbraw/zinc/36/29/32/1416362932.db2.gz SGBWUFGECDPQAA-GFCCVEGCSA-N 1 0 379.848 3.102 20 5 GGBDRO CCC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178501299 1429091670 /nfs/dbraw/zinc/09/16/70/1429091670.db2.gz QTOKXCLAGLZQJC-IBGZPJMESA-N 1 0 391.493 3.476 20 5 GGBDRO COc1cc(C[N@H+](C)CCCn2ccnc2C)c([N+](=O)[O-])cc1OC(F)F ZINC000130547392 1416397049 /nfs/dbraw/zinc/39/70/49/1416397049.db2.gz RIIONGYDHVHXOS-UHFFFAOYSA-N 1 0 384.383 3.232 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C1CC1 ZINC000130672015 1416422127 /nfs/dbraw/zinc/42/21/27/1416422127.db2.gz SMWFIDVFEMZVQL-HXUWFJFHSA-N 1 0 382.464 3.277 20 5 GGBDRO COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000130872041 1416471790 /nfs/dbraw/zinc/47/17/90/1416471790.db2.gz KQUFQAMUIURYHY-FPOVZHCZSA-N 1 0 386.448 3.256 20 5 GGBDRO O=[N+]([O-])c1ccc2c(c1)CN(C[C@H](O)COCc1ccc(Cl)cc1)CC2 ZINC000131311907 1416538713 /nfs/dbraw/zinc/53/87/13/1416538713.db2.gz RKSPNBDFDPQANR-IBGZPJMESA-N 1 0 376.840 3.184 20 5 GGBDRO COc1cc(CNCC[NH+]2CCCCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000131331001 1416541197 /nfs/dbraw/zinc/54/11/97/1416541197.db2.gz LHOUTOYSBLFRIR-UHFFFAOYSA-N 1 0 391.390 3.120 20 5 GGBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000131465806 1416561988 /nfs/dbraw/zinc/56/19/88/1416561988.db2.gz IPHSUEPEVQYTQG-SFHVURJKSA-N 1 0 382.464 3.373 20 5 GGBDRO C[NH+](C)C[C@@](C)(O)CNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000131481575 1416564464 /nfs/dbraw/zinc/56/44/64/1416564464.db2.gz KCTFOUSMKHGTEF-IBGZPJMESA-N 1 0 393.871 3.443 20 5 GGBDRO CC(C)CC[NH+]1CCC(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000131727808 1416605891 /nfs/dbraw/zinc/60/58/91/1416605891.db2.gz JCEFXTUYBQCLRA-UHFFFAOYSA-N 1 0 388.512 3.421 20 5 GGBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000131896194 1416644093 /nfs/dbraw/zinc/64/40/93/1416644093.db2.gz NWKKCEJNVUGDMO-OAHLLOKOSA-N 1 0 383.452 3.015 20 5 GGBDRO Cc1c(CC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000178587501 1429114967 /nfs/dbraw/zinc/11/49/67/1429114967.db2.gz MUSPERNUJZCJSJ-UHFFFAOYSA-N 1 0 381.476 3.269 20 5 GGBDRO COc1ccc(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000131966772 1416661640 /nfs/dbraw/zinc/66/16/40/1416661640.db2.gz OKICQJRCRGRBGM-MRXNPFEDSA-N 1 0 383.448 3.340 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000131979560 1416665231 /nfs/dbraw/zinc/66/52/31/1416665231.db2.gz BSZCLRDAOWVPRO-KRWDZBQOSA-N 1 0 383.448 3.097 20 5 GGBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 ZINC000131992921 1416668572 /nfs/dbraw/zinc/66/85/72/1416668572.db2.gz IOSIRLPXHYVFNY-SNVBAGLBSA-N 1 0 390.665 3.177 20 5 GGBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C2)CC1 ZINC000132018193 1416675046 /nfs/dbraw/zinc/67/50/46/1416675046.db2.gz IGZZAZAYARAESO-OAHLLOKOSA-N 1 0 390.440 3.087 20 5 GGBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000132066786 1416686563 /nfs/dbraw/zinc/68/65/63/1416686563.db2.gz DZAPTHAQYJLBFG-MRXNPFEDSA-N 1 0 397.479 3.057 20 5 GGBDRO CSc1ccc(C(=O)c2ccccc2C(=O)NCC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000178624740 1429124183 /nfs/dbraw/zinc/12/41/83/1429124183.db2.gz WBEQUJSEVQGACO-GFCCVEGCSA-N 1 0 387.461 3.015 20 5 GGBDRO Cn1cc(C(=O)N2CCC(CCC[NH+](C)C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000132433092 1416759813 /nfs/dbraw/zinc/75/98/13/1416759813.db2.gz SRXVDRWKCLKGCA-UHFFFAOYSA-N 1 0 399.495 3.189 20 5 GGBDRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178640588 1429126875 /nfs/dbraw/zinc/12/68/75/1429126875.db2.gz XJLYDGDNYNFNCK-HNNXBMFYSA-N 1 0 391.493 3.273 20 5 GGBDRO COc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)N2CCOCC2)cc1 ZINC000178639651 1429126984 /nfs/dbraw/zinc/12/69/84/1429126984.db2.gz KSRLMEWLVWEUGF-HRAATJIYSA-N 1 0 385.464 3.328 20 5 GGBDRO COc1ccc([C@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)N2CCOCC2)cc1 ZINC000178639629 1429127089 /nfs/dbraw/zinc/12/70/89/1429127089.db2.gz KSRLMEWLVWEUGF-KKSFZXQISA-N 1 0 385.464 3.328 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C2(CO)CCC2)cc1 ZINC000178640469 1429127201 /nfs/dbraw/zinc/12/72/01/1429127201.db2.gz LVLHWJJMCSCHGM-UHFFFAOYSA-N 1 0 378.432 3.452 20 5 GGBDRO C[C@@H]1C[C@@H](N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000132486798 1416771335 /nfs/dbraw/zinc/77/13/35/1416771335.db2.gz YRWHQBQIGICZDU-XLIONFOSSA-N 1 0 397.475 3.485 20 5 GGBDRO C[C@H]1C[C@@H](N(C)C(=O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000132490297 1416771693 /nfs/dbraw/zinc/77/16/93/1416771693.db2.gz KLONEEYJFLWVEJ-HKUYNNGSSA-N 1 0 397.475 3.485 20 5 GGBDRO C[C@H]1C[C@H](N(C)C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000132500853 1416773559 /nfs/dbraw/zinc/77/35/59/1416773559.db2.gz WXCMTIWGSDNTLC-FUHWJXTLSA-N 1 0 399.495 3.038 20 5 GGBDRO C[C@H]1C[C@H](N(C)C(=O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000132524671 1416778077 /nfs/dbraw/zinc/77/80/77/1416778077.db2.gz VWBWEUADDBFZEV-PKOBYXMFSA-N 1 0 397.475 3.485 20 5 GGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000132532539 1416779949 /nfs/dbraw/zinc/77/99/49/1416779949.db2.gz IZFBVTAXOQNEBU-AZUAARDMSA-N 1 0 385.464 3.125 20 5 GGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000132553204 1416783872 /nfs/dbraw/zinc/78/38/72/1416783872.db2.gz DCIJXBNTKIJYEA-IBGZPJMESA-N 1 0 399.472 3.054 20 5 GGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000132558205 1416784957 /nfs/dbraw/zinc/78/49/57/1416784957.db2.gz MVCUPBFGGQUVIQ-UHFFFAOYSA-N 1 0 395.525 3.280 20 5 GGBDRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178650112 1429129229 /nfs/dbraw/zinc/12/92/29/1429129229.db2.gz CDAMQDROGYPCNJ-HNNXBMFYSA-N 1 0 391.493 3.475 20 5 GGBDRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178650020 1429129349 /nfs/dbraw/zinc/12/93/49/1429129349.db2.gz GWPZADUBDRCDEF-OAHLLOKOSA-N 1 0 391.493 3.273 20 5 GGBDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000178661415 1429131633 /nfs/dbraw/zinc/13/16/33/1429131633.db2.gz PXJOEXIBOYRXKK-ORAYPTAESA-N 1 0 385.420 3.068 20 5 GGBDRO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000178661450 1429131675 /nfs/dbraw/zinc/13/16/75/1429131675.db2.gz PXJOEXIBOYRXKK-YJYMSZOUSA-N 1 0 385.420 3.068 20 5 GGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCN3CCc4sccc4C3)CC2)cc1 ZINC000132911881 1416830213 /nfs/dbraw/zinc/83/02/13/1416830213.db2.gz AXJFGNOBVIWAOR-UHFFFAOYSA-N 1 0 386.521 3.273 20 5 GGBDRO COc1ccc([C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)c2ccc(F)cc2)cc1 ZINC000132967350 1416836804 /nfs/dbraw/zinc/83/68/04/1416836804.db2.gz YZLISBRSPKYTTI-OAQYLSRUSA-N 1 0 397.406 3.283 20 5 GGBDRO CCOC(=O)c1ccnc(NC[C@H](c2ccco2)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000133137376 1416855717 /nfs/dbraw/zinc/85/57/17/1416855717.db2.gz IIIFJUXKOCZWPR-OAHLLOKOSA-N 1 0 388.424 3.399 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000133254602 1416871040 /nfs/dbraw/zinc/87/10/40/1416871040.db2.gz PQTINLRKNXGCDM-UHFFFAOYSA-N 1 0 389.402 3.196 20 5 GGBDRO COc1cc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1S(C)(=O)=O ZINC000178685283 1429140758 /nfs/dbraw/zinc/14/07/58/1429140758.db2.gz KXOOCGGAJKDDSR-STQMWFEESA-N 1 0 378.450 3.419 20 5 GGBDRO COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)[NH+]2CCCC2)cc1 ZINC000133402695 1416886369 /nfs/dbraw/zinc/88/63/69/1416886369.db2.gz IPYSGPKJQYLDJJ-LJQANCHMSA-N 1 0 399.447 3.179 20 5 GGBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000133433385 1416889328 /nfs/dbraw/zinc/88/93/28/1416889328.db2.gz YJKDBPQHSUETNA-SFHVURJKSA-N 1 0 385.439 3.305 20 5 GGBDRO CC[C@@H]([NH2+][C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000178671113 1429134871 /nfs/dbraw/zinc/13/48/71/1429134871.db2.gz XUYXUCACUYRHPJ-WOJBJXKFSA-N 1 0 399.447 3.458 20 5 GGBDRO O=C(C[NH2+][C@@H]1CCC[C@H]1c1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000133647716 1416930552 /nfs/dbraw/zinc/93/05/52/1416930552.db2.gz DRLQGUSDLVAHOD-LSDHHAIUSA-N 1 0 383.404 3.188 20 5 GGBDRO CCC[C@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000133666713 1416935301 /nfs/dbraw/zinc/93/53/01/1416935301.db2.gz BACIRVKLBQGRGW-FQEVSTJZSA-N 1 0 398.511 3.028 20 5 GGBDRO CCOc1cc(C(=O)N2CCC(CCC[NH+](C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000133719290 1416950269 /nfs/dbraw/zinc/95/02/69/1416950269.db2.gz MBSISLAAMZIGMG-UHFFFAOYSA-N 1 0 393.484 3.196 20 5 GGBDRO NC(=O)c1ccc(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000133828148 1416971309 /nfs/dbraw/zinc/97/13/09/1416971309.db2.gz MIRIQMCPHTVOJX-MOPGFXCFSA-N 1 0 394.475 3.185 20 5 GGBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1[N+](=O)[O-] ZINC000178687412 1429141866 /nfs/dbraw/zinc/14/18/66/1429141866.db2.gz SFXWYWNYPUGJQT-DYVFJYSZSA-N 1 0 384.392 3.268 20 5 GGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(=O)Nc2ccccc2F)cc1[N+](=O)[O-] ZINC000178688113 1429141998 /nfs/dbraw/zinc/14/19/98/1429141998.db2.gz GJZBBYZFPLJJGE-OLZOCXBDSA-N 1 0 388.399 3.430 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC(=O)Nc2ccccc2F)cc1[N+](=O)[O-] ZINC000178688132 1429142031 /nfs/dbraw/zinc/14/20/31/1429142031.db2.gz GJZBBYZFPLJJGE-STQMWFEESA-N 1 0 388.399 3.430 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC(=O)Nc2ccccc2F)cc1[N+](=O)[O-] ZINC000178688155 1429142153 /nfs/dbraw/zinc/14/21/53/1429142153.db2.gz GJZBBYZFPLJJGE-QWHCGFSZSA-N 1 0 388.399 3.430 20 5 GGBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)cccc1[N+](=O)[O-] ZINC000133847535 1416977731 /nfs/dbraw/zinc/97/77/31/1416977731.db2.gz HDPDZSJLCUGMRL-AWEZNQCLSA-N 1 0 377.466 3.004 20 5 GGBDRO C[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[N@H+](C)Cc1ccccc1 ZINC000133978686 1417004902 /nfs/dbraw/zinc/00/49/02/1417004902.db2.gz CTEADMDQZCTINF-HNNXBMFYSA-N 1 0 380.448 3.255 20 5 GGBDRO CCOC(=O)c1ccnc(N(CC)Cc2ccc(C[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000134132721 1417027168 /nfs/dbraw/zinc/02/71/68/1417027168.db2.gz MMYLNUFQDRZCDX-UHFFFAOYSA-N 1 0 386.452 3.255 20 5 GGBDRO CCOC(=O)c1ccnc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000134147492 1417029500 /nfs/dbraw/zinc/02/95/00/1417029500.db2.gz DUVVUMIIHOUNOR-KRWDZBQOSA-N 1 0 398.463 3.143 20 5 GGBDRO C[NH+](C)CCOc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1 ZINC000134154102 1417030103 /nfs/dbraw/zinc/03/01/03/1417030103.db2.gz BDDHWZVMMYRFAX-UHFFFAOYSA-N 1 0 394.431 3.013 20 5 GGBDRO C[N@H+](CCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)Cc1ccccc1 ZINC000134177857 1417033700 /nfs/dbraw/zinc/03/37/00/1417033700.db2.gz LQRNCCKVQNBIKZ-UHFFFAOYSA-N 1 0 382.464 3.401 20 5 GGBDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000134474566 1417074535 /nfs/dbraw/zinc/07/45/35/1417074535.db2.gz QYYQPZLZKMBSMR-GASCZTMLSA-N 1 0 393.459 3.085 20 5 GGBDRO COc1cccc([C@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000134520923 1417080810 /nfs/dbraw/zinc/08/08/10/1417080810.db2.gz DDOVUQVJSDCLBL-KRWDZBQOSA-N 1 0 377.828 3.290 20 5 GGBDRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000134630328 1417100696 /nfs/dbraw/zinc/10/06/96/1417100696.db2.gz YPXVGXGUAYSPAT-GJZGRUSLSA-N 1 0 379.457 3.351 20 5 GGBDRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000134630305 1417101348 /nfs/dbraw/zinc/10/13/48/1417101348.db2.gz YPXVGXGUAYSPAT-CABCVRRESA-N 1 0 379.457 3.351 20 5 GGBDRO C[C@@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[N@H+](C)Cc1ccccc1 ZINC000134664134 1417109209 /nfs/dbraw/zinc/10/92/09/1417109209.db2.gz HORGKZXHLVLPOU-INIZCTEOSA-N 1 0 393.447 3.031 20 5 GGBDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000134669138 1417110641 /nfs/dbraw/zinc/11/06/41/1417110641.db2.gz YNYMRJXQJABAJI-HUUCEWRRSA-N 1 0 379.457 3.351 20 5 GGBDRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000134766956 1417122689 /nfs/dbraw/zinc/12/26/89/1417122689.db2.gz KSECKVRAHQHCFH-OKILXGFUSA-N 1 0 395.887 3.210 20 5 GGBDRO Cc1nccn1C[C@H]1CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000178752637 1429160835 /nfs/dbraw/zinc/16/08/35/1429160835.db2.gz QTOINSBRRKCNBS-GOSISDBHSA-N 1 0 381.436 3.462 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)n2)c1 ZINC000134878623 1417139061 /nfs/dbraw/zinc/13/90/61/1417139061.db2.gz QIRHBGCUCKRKCF-QAPCUYQASA-N 1 0 383.452 3.094 20 5 GGBDRO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000178752628 1429161110 /nfs/dbraw/zinc/16/11/10/1429161110.db2.gz QTOINSBRRKCNBS-SFHVURJKSA-N 1 0 381.436 3.462 20 5 GGBDRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000134909976 1417143018 /nfs/dbraw/zinc/14/30/18/1417143018.db2.gz JRTMPZOTAAOGBN-UHFFFAOYSA-N 1 0 397.435 3.063 20 5 GGBDRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134910289 1417143085 /nfs/dbraw/zinc/14/30/85/1417143085.db2.gz VXFHRCLJKCELKQ-UHFFFAOYSA-N 1 0 381.860 3.013 20 5 GGBDRO O=C(CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000134930018 1417147218 /nfs/dbraw/zinc/14/72/18/1417147218.db2.gz YCOLDBYNRXLHDS-DYVFJYSZSA-N 1 0 392.887 3.135 20 5 GGBDRO O=C(CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000134929136 1417147317 /nfs/dbraw/zinc/14/73/17/1417147317.db2.gz AWVYBDOIXFTDCX-DYVFJYSZSA-N 1 0 392.887 3.135 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)n2)cc1 ZINC000134933958 1417147944 /nfs/dbraw/zinc/14/79/44/1417147944.db2.gz MPLSCPMXUKBRAY-QAPCUYQASA-N 1 0 383.452 3.094 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000135056371 1417167865 /nfs/dbraw/zinc/16/78/65/1417167865.db2.gz SWGCIGMQTOQVLM-UHFFFAOYSA-N 1 0 393.509 3.034 20 5 GGBDRO C[N@H+](Cc1ccccc1)CC(C)(C)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000178775285 1429167021 /nfs/dbraw/zinc/16/70/21/1429167021.db2.gz NISFGUMGLOPHQR-UHFFFAOYSA-N 1 0 385.464 3.462 20 5 GGBDRO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+](C)C[C@@H]1CCOC1 ZINC000178786093 1429169701 /nfs/dbraw/zinc/16/97/01/1429169701.db2.gz SWHXPWKIBKATQY-OLZOCXBDSA-N 1 0 390.465 3.014 20 5 GGBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000135803681 1417269792 /nfs/dbraw/zinc/26/97/92/1417269792.db2.gz OFXHKXKVHPQRSY-QGZVFWFLSA-N 1 0 394.475 3.421 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000135995388 1417284531 /nfs/dbraw/zinc/28/45/31/1417284531.db2.gz MEEMGNUJLJUHAU-CABCVRRESA-N 1 0 395.525 3.184 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000136095291 1417291145 /nfs/dbraw/zinc/29/11/45/1417291145.db2.gz MASQFYXXGZRFCL-MRXNPFEDSA-N 1 0 385.468 3.165 20 5 GGBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000136101364 1417292105 /nfs/dbraw/zinc/29/21/05/1417292105.db2.gz OHQIYOJLNFFOQW-INIZCTEOSA-N 1 0 385.468 3.022 20 5 GGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000136208194 1417301427 /nfs/dbraw/zinc/30/14/27/1417301427.db2.gz VABQSICUSDRSKX-CALCHBBNSA-N 1 0 399.495 3.268 20 5 GGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000136208268 1417301602 /nfs/dbraw/zinc/30/16/02/1417301602.db2.gz VABQSICUSDRSKX-IAGOWNOFSA-N 1 0 399.495 3.268 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178798447 1429174010 /nfs/dbraw/zinc/17/40/10/1429174010.db2.gz RTZNXTJCFPHLCZ-MHZLTWQESA-N 1 0 389.477 3.101 20 5 GGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000136497628 1417321515 /nfs/dbraw/zinc/32/15/15/1417321515.db2.gz KMKWRIDTVDAQDJ-OAHLLOKOSA-N 1 0 384.354 3.434 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)N2CCC([C@H](C)[NH3+])CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000178805765 1429175661 /nfs/dbraw/zinc/17/56/61/1429175661.db2.gz HIOFGMLWIBELHH-LSDHHAIUSA-N 1 0 397.479 3.362 20 5 GGBDRO CCOc1ccccc1NC(=O)CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000136584686 1417329300 /nfs/dbraw/zinc/32/93/00/1417329300.db2.gz CSUHSWOIQXCJNW-UHFFFAOYSA-N 1 0 398.463 3.144 20 5 GGBDRO C[C@@H]1C[NH+](CC2CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000136848459 1417350073 /nfs/dbraw/zinc/35/00/73/1417350073.db2.gz BBADQSFPOGJJMF-ZIAGYGMSSA-N 1 0 395.887 3.210 20 5 GGBDRO C[C@@H]1C[NH+](CC2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)C[C@@H](C)O1 ZINC000136849124 1417350202 /nfs/dbraw/zinc/35/02/02/1417350202.db2.gz LFFMOMARRGNCFA-ZIAGYGMSSA-N 1 0 395.887 3.210 20 5 GGBDRO C[C@H]1C[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000137447666 1417385610 /nfs/dbraw/zinc/38/56/10/1417385610.db2.gz RNTYKRNOSFFSQL-WMZOPIPTSA-N 1 0 383.448 3.143 20 5 GGBDRO Cc1c(C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000137489349 1417388943 /nfs/dbraw/zinc/38/89/43/1417388943.db2.gz DNGHZHKWZXMBSV-XJKSGUPXSA-N 1 0 398.419 3.204 20 5 GGBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1 ZINC000138136262 1417405982 /nfs/dbraw/zinc/40/59/82/1417405982.db2.gz QMNDEPAFWDMTRQ-UHFFFAOYSA-N 1 0 393.447 3.162 20 5 GGBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000138228218 1417408218 /nfs/dbraw/zinc/40/82/18/1417408218.db2.gz BXAFPYOLYSWLLY-HNNXBMFYSA-N 1 0 385.468 3.021 20 5 GGBDRO O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000138711450 1417436288 /nfs/dbraw/zinc/43/62/88/1417436288.db2.gz NLKQBXYKXVIUKZ-UHFFFAOYSA-N 1 0 385.489 3.367 20 5 GGBDRO C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000138979340 1417444514 /nfs/dbraw/zinc/44/45/14/1417444514.db2.gz GISRPNARMIAUKA-QAPCUYQASA-N 1 0 393.484 3.141 20 5 GGBDRO C[C@@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000138979224 1417444584 /nfs/dbraw/zinc/44/45/84/1417444584.db2.gz GISRPNARMIAUKA-YJBOKZPZSA-N 1 0 393.484 3.141 20 5 GGBDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000139682472 1417469121 /nfs/dbraw/zinc/46/91/21/1417469121.db2.gz CNWGOIRSIHJQIO-UHFFFAOYSA-N 1 0 397.903 3.459 20 5 GGBDRO Nc1c(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc(F)cc1[N+](=O)[O-] ZINC000139972223 1417483654 /nfs/dbraw/zinc/48/36/54/1417483654.db2.gz BIMMGBAHVGRIAH-LBPRGKRZSA-N 1 0 392.456 3.020 20 5 GGBDRO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178861499 1429200294 /nfs/dbraw/zinc/20/02/94/1429200294.db2.gz HCTSIHRTOCEMIU-KSSFIOAISA-N 1 0 393.484 3.253 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000145782679 1417700781 /nfs/dbraw/zinc/70/07/81/1417700781.db2.gz XHVTZOOTIOVVPH-UHFFFAOYSA-N 1 0 389.477 3.307 20 5 GGBDRO CC[NH+](CC)CCOc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1OC ZINC000149249678 1417773626 /nfs/dbraw/zinc/77/36/26/1417773626.db2.gz CJCGKGDIPOZNMW-UHFFFAOYSA-N 1 0 377.397 3.169 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000150136970 1417785396 /nfs/dbraw/zinc/78/53/96/1417785396.db2.gz KAEATUODMHUQBZ-INIZCTEOSA-N 1 0 385.420 3.004 20 5 GGBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150739228 1417795695 /nfs/dbraw/zinc/79/56/95/1417795695.db2.gz WCLKAXQYQOLFPE-HOCLYGCPSA-N 1 0 395.887 3.492 20 5 GGBDRO CCOc1cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000150750701 1417799097 /nfs/dbraw/zinc/79/90/97/1417799097.db2.gz IXCRXWJMMLHMCR-HNNXBMFYSA-N 1 0 391.468 3.093 20 5 GGBDRO CNC(=O)c1ccc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000150875555 1417825956 /nfs/dbraw/zinc/82/59/56/1417825956.db2.gz CVHGQYFVASGURP-LPHOPBHVSA-N 1 0 396.491 3.444 20 5 GGBDRO COc1ccc(C(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000150888906 1417828473 /nfs/dbraw/zinc/82/84/73/1417828473.db2.gz WCJMRGOTPADNLF-HOTGVXAUSA-N 1 0 397.475 3.490 20 5 GGBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000150955062 1417843449 /nfs/dbraw/zinc/84/34/49/1417843449.db2.gz UYQPWVHREFJYGP-IRXDYDNUSA-N 1 0 397.475 3.246 20 5 GGBDRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000151011831 1417855177 /nfs/dbraw/zinc/85/51/77/1417855177.db2.gz UVIIPKTYJNOYJQ-GOSISDBHSA-N 1 0 384.436 3.093 20 5 GGBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)C1 ZINC000151024305 1417857795 /nfs/dbraw/zinc/85/77/95/1417857795.db2.gz PLXFRANSMQAGQN-CQSZACIVSA-N 1 0 385.420 3.220 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000151138678 1417880055 /nfs/dbraw/zinc/88/00/55/1417880055.db2.gz JWSJZRBQVYJJII-AWEZNQCLSA-N 1 0 391.468 3.366 20 5 GGBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000151203796 1417893520 /nfs/dbraw/zinc/89/35/20/1417893520.db2.gz DAXCSRHHTGTPHW-INIZCTEOSA-N 1 0 377.460 3.247 20 5 GGBDRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000151284105 1417914985 /nfs/dbraw/zinc/91/49/85/1417914985.db2.gz VTMDVUMWAZTFPQ-UHFFFAOYSA-N 1 0 388.859 3.096 20 5 GGBDRO CCCN(C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000178929949 1429223241 /nfs/dbraw/zinc/22/32/41/1429223241.db2.gz GWBKZDRQXAKBOD-JZXOWHBKSA-N 1 0 388.512 3.291 20 5 GGBDRO CN(C(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000151788106 1418086953 /nfs/dbraw/zinc/08/69/53/1418086953.db2.gz XNGLAIBPOHBCFB-IBGZPJMESA-N 1 0 396.447 3.013 20 5 GGBDRO CC(C)NC(=O)c1ccc(NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000151973665 1418109756 /nfs/dbraw/zinc/10/97/56/1418109756.db2.gz SLJSDZQQXSQYEY-HOTGVXAUSA-N 1 0 392.500 3.034 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000152024593 1418123592 /nfs/dbraw/zinc/12/35/92/1418123592.db2.gz PXLKANMXQXBMEV-HZPDHXFCSA-N 1 0 388.468 3.047 20 5 GGBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)C1 ZINC000178987955 1429235739 /nfs/dbraw/zinc/23/57/39/1429235739.db2.gz FLQNMACKUKLSAD-LBPRGKRZSA-N 1 0 392.506 3.192 20 5 GGBDRO Cc1ccc([C@H](C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])N2CCOCC2)o1 ZINC000152040020 1418127762 /nfs/dbraw/zinc/12/77/62/1418127762.db2.gz HXOWOUADLXAOGV-KRWDZBQOSA-N 1 0 379.844 3.313 20 5 GGBDRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)C1 ZINC000178987947 1429236020 /nfs/dbraw/zinc/23/60/20/1429236020.db2.gz FLQNMACKUKLSAD-GFCCVEGCSA-N 1 0 392.506 3.192 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000178991591 1429236446 /nfs/dbraw/zinc/23/64/46/1429236446.db2.gz SHFSGKIUZRJVJT-AWEZNQCLSA-N 1 0 399.451 3.346 20 5 GGBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000152075877 1418138672 /nfs/dbraw/zinc/13/86/72/1418138672.db2.gz RFCDQQGBBQOHEY-OAHLLOKOSA-N 1 0 389.402 3.467 20 5 GGBDRO CN(C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000179080984 1429256945 /nfs/dbraw/zinc/25/69/45/1429256945.db2.gz NKENCJORIXNIHN-OAHLLOKOSA-N 1 0 388.855 3.294 20 5 GGBDRO CN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000179101093 1429262368 /nfs/dbraw/zinc/26/23/68/1429262368.db2.gz JINPHUBXMSQKCB-AWEZNQCLSA-N 1 0 375.812 3.474 20 5 GGBDRO O=C(c1ccc(C[NH+]2CCC(CO)CC2)cc1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000179238124 1429302493 /nfs/dbraw/zinc/30/24/93/1429302493.db2.gz NUQFGYJGFLPTIC-UHFFFAOYSA-N 1 0 395.459 3.002 20 5 GGBDRO COC(=O)CCn1nc(C)c(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1C ZINC000179320385 1429327685 /nfs/dbraw/zinc/32/76/85/1429327685.db2.gz YWMIIFUQQKQFDL-UHFFFAOYSA-N 1 0 388.468 3.382 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000179384662 1429352830 /nfs/dbraw/zinc/35/28/30/1429352830.db2.gz DMOZBEZPAUSMPZ-UHFFFAOYSA-N 1 0 395.525 3.184 20 5 GGBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(Cn3cncn3)cc2)cc1[N+](=O)[O-] ZINC000179396841 1429358072 /nfs/dbraw/zinc/35/80/72/1429358072.db2.gz YQBOGTJOCWTOOW-OAHLLOKOSA-N 1 0 381.436 3.484 20 5 GGBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000179453450 1429381944 /nfs/dbraw/zinc/38/19/44/1429381944.db2.gz QXPVVRBGDCVSBZ-UHFFFAOYSA-N 1 0 391.493 3.256 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1C[C@H](O)CN1Cc1ccccc1)C1CC1 ZINC000179484966 1429389714 /nfs/dbraw/zinc/38/97/14/1429389714.db2.gz BINPGLYEPCPJJZ-FSSWDIPSSA-N 1 0 395.503 3.141 20 5 GGBDRO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(OC(F)F)cc1 ZINC000179607118 1429468903 /nfs/dbraw/zinc/46/89/03/1429468903.db2.gz JHTYVXACUHOXKN-LBPRGKRZSA-N 1 0 391.374 3.436 20 5 GGBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc2ccccc2c2cccnc12 ZINC000179610697 1429470331 /nfs/dbraw/zinc/47/03/31/1429470331.db2.gz WATKCBPDFBXPHG-GOSISDBHSA-N 1 0 377.488 3.355 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000179605001 1429466938 /nfs/dbraw/zinc/46/69/38/1429466938.db2.gz FYOWPXKTWBVRCA-NSHDSACASA-N 1 0 395.362 3.494 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[NH+](CC4CCOCC4)CC3)o2)cc1 ZINC000179625295 1429476627 /nfs/dbraw/zinc/47/66/27/1429476627.db2.gz BCZZJVGLIVFCHG-UHFFFAOYSA-N 1 0 385.464 3.399 20 5 GGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179655974 1429493419 /nfs/dbraw/zinc/49/34/19/1429493419.db2.gz UPBDSANRQFOQRO-OAHLLOKOSA-N 1 0 383.448 3.146 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000179691522 1429508696 /nfs/dbraw/zinc/50/86/96/1429508696.db2.gz JVSQWGSPZKYSOI-UHFFFAOYSA-N 1 0 389.496 3.237 20 5 GGBDRO COc1cc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)ccc1OCc1ccncc1 ZINC000179699711 1429512893 /nfs/dbraw/zinc/51/28/93/1429512893.db2.gz CXXPNHIJANOTAS-OAHLLOKOSA-N 1 0 397.435 3.125 20 5 GGBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000179706111 1429515282 /nfs/dbraw/zinc/51/52/82/1429515282.db2.gz CFLBKXUKTKOKJQ-MRXNPFEDSA-N 1 0 393.447 3.031 20 5 GGBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000179717843 1429520532 /nfs/dbraw/zinc/52/05/32/1429520532.db2.gz PPOCFKMYWYHJLI-MRXNPFEDSA-N 1 0 393.447 3.031 20 5 GGBDRO O=C(CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000179726224 1429524353 /nfs/dbraw/zinc/52/43/53/1429524353.db2.gz SGELRSCKAXBIOR-OAQYLSRUSA-N 1 0 397.431 3.436 20 5 GGBDRO O=C(C[NH2+][C@@H](CCCO)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000179728270 1429525679 /nfs/dbraw/zinc/52/56/79/1429525679.db2.gz FKCWKVLZYLKMIR-INIZCTEOSA-N 1 0 377.828 3.290 20 5 GGBDRO C[C@@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000179731580 1429526928 /nfs/dbraw/zinc/52/69/28/1429526928.db2.gz QPWUQDRNNUYLBL-XCLFUZPHSA-N 1 0 397.431 3.434 20 5 GGBDRO CCN1CCN(C(=O)Cc2ccc(NCc3ccc(C)c([N+](=O)[O-])c3)cc2)CC1 ZINC000152415383 1422096827 /nfs/dbraw/zinc/09/68/27/1422096827.db2.gz JSGJGDZMGNBUEF-UHFFFAOYSA-N 1 0 396.491 3.222 20 5 GGBDRO Cn1ccnc1C(=O)c1ccc(N2CC[NH+](C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000152436163 1422103047 /nfs/dbraw/zinc/10/30/47/1422103047.db2.gz LIAOZRSBIYYUTH-UHFFFAOYSA-N 1 0 397.479 3.014 20 5 GGBDRO C[C@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000179742644 1429532849 /nfs/dbraw/zinc/53/28/49/1429532849.db2.gz XEFPWUIVXRIIRR-RBZFPXEDSA-N 1 0 397.431 3.434 20 5 GGBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000179754675 1429540409 /nfs/dbraw/zinc/54/04/09/1429540409.db2.gz PVYUALXNKSOABD-MRXNPFEDSA-N 1 0 389.477 3.489 20 5 GGBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](CCCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000179756527 1429541995 /nfs/dbraw/zinc/54/19/95/1429541995.db2.gz XDDYTUSIKHIQBW-QGZVFWFLSA-N 1 0 387.436 3.035 20 5 GGBDRO C[C@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000179760098 1429544942 /nfs/dbraw/zinc/54/49/42/1429544942.db2.gz XUHAFJMSTPVXLL-RBZFPXEDSA-N 1 0 397.431 3.434 20 5 GGBDRO O=C(Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])o1 ZINC000152974070 1422312496 /nfs/dbraw/zinc/31/24/96/1422312496.db2.gz BWLYGBKVEQLXDS-OAHLLOKOSA-N 1 0 381.392 3.084 20 5 GGBDRO CC(C)OCCCNC(=O)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000153068557 1422345676 /nfs/dbraw/zinc/34/56/76/1422345676.db2.gz IOFOYRPGWHQZHP-VMPITWQZSA-N 1 0 389.496 3.251 20 5 GGBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000153070938 1422346368 /nfs/dbraw/zinc/34/63/68/1422346368.db2.gz QZZFELXHHSRJSQ-AWEZNQCLSA-N 1 0 392.477 3.389 20 5 GGBDRO C[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000153098726 1422356329 /nfs/dbraw/zinc/35/63/29/1422356329.db2.gz HPJUCZIZICJVOJ-ZDUSSCGKSA-N 1 0 389.477 3.256 20 5 GGBDRO COc1cc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c([N+](=O)[O-])cc1OC ZINC000179778255 1429556406 /nfs/dbraw/zinc/55/64/06/1429556406.db2.gz IJVSUNBSZAWHII-AWEZNQCLSA-N 1 0 397.435 3.034 20 5 GGBDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179772311 1429552285 /nfs/dbraw/zinc/55/22/85/1429552285.db2.gz CZXVEYJZBSAQJI-CQSZACIVSA-N 1 0 396.447 3.257 20 5 GGBDRO CN(C)c1ccc(N2CCC(NC(=O)CCc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000153367560 1422499865 /nfs/dbraw/zinc/49/98/65/1422499865.db2.gz SVCQGKKRFDEUIN-UHFFFAOYSA-N 1 0 396.491 3.379 20 5 GGBDRO CCCNC(=O)CN1CCC([NH2+][C@H](CCC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153487790 1422565858 /nfs/dbraw/zinc/56/58/58/1422565858.db2.gz ZLKNOUWVNTWSHM-LJQANCHMSA-N 1 0 376.501 3.016 20 5 GGBDRO COc1ccc([C@H](CNc2ncc(Cl)cc2[N+](=O)[O-])[NH+](C)C)cc1OC ZINC000153516723 1422581028 /nfs/dbraw/zinc/58/10/28/1422581028.db2.gz ZKAIGFHQDUPNPX-AWEZNQCLSA-N 1 0 380.832 3.375 20 5 GGBDRO CN(C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000153600346 1422640413 /nfs/dbraw/zinc/64/04/13/1422640413.db2.gz AJRRIWANIZNPAY-LBPRGKRZSA-N 1 0 391.415 3.258 20 5 GGBDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000153601380 1422642053 /nfs/dbraw/zinc/64/20/53/1422642053.db2.gz YQDDAIJFIQMVTL-NRFANRHFSA-N 1 0 394.475 3.500 20 5 GGBDRO Cc1cc(NC(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000153649632 1422677221 /nfs/dbraw/zinc/67/72/21/1422677221.db2.gz CUWUUBMNVXZYFA-UHFFFAOYSA-N 1 0 397.479 3.469 20 5 GGBDRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000153670376 1422695148 /nfs/dbraw/zinc/69/51/48/1422695148.db2.gz CXPSTYABLIROFF-IBGZPJMESA-N 1 0 398.463 3.483 20 5 GGBDRO Cc1cc(NC(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000153842198 1422793110 /nfs/dbraw/zinc/79/31/10/1422793110.db2.gz ILXKPLGHWIRVBX-IYBDPMFKSA-N 1 0 390.484 3.256 20 5 GGBDRO C[C@@H]1C[N@@H+](CCC2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000153914046 1422809907 /nfs/dbraw/zinc/80/99/07/1422809907.db2.gz VJSFPTKRZUOKFE-OKILXGFUSA-N 1 0 382.892 3.359 20 5 GGBDRO C[C@H]1C[NH+](CCC2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000153914152 1422809932 /nfs/dbraw/zinc/80/99/32/1422809932.db2.gz VJSFPTKRZUOKFE-KBPBESRZSA-N 1 0 382.892 3.359 20 5 GGBDRO C[C@@H]1C[NH+](CCC2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000153914245 1422810020 /nfs/dbraw/zinc/81/00/20/1422810020.db2.gz VJSFPTKRZUOKFE-ZIAGYGMSSA-N 1 0 382.892 3.359 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000153937112 1422813757 /nfs/dbraw/zinc/81/37/57/1422813757.db2.gz BUOOGIIYFPVKOF-RDJZCZTQSA-N 1 0 397.479 3.329 20 5 GGBDRO CN(CC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1)C(=O)OC(C)(C)C ZINC000153993762 1422822481 /nfs/dbraw/zinc/82/24/81/1422822481.db2.gz DFTUZPSTVLMWLF-SFHVURJKSA-N 1 0 393.484 3.207 20 5 GGBDRO Cc1ccc(C[NH+](C)C)cc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000154021826 1422827267 /nfs/dbraw/zinc/82/72/67/1422827267.db2.gz BUMYCRVFYHZYAN-UHFFFAOYSA-N 1 0 377.466 3.382 20 5 GGBDRO Cc1ccc(C[NH+](C)C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000154045936 1422831000 /nfs/dbraw/zinc/83/10/00/1422831000.db2.gz GCDZJVXQJSQDEV-UHFFFAOYSA-N 1 0 377.466 3.382 20 5 GGBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000154062792 1422834043 /nfs/dbraw/zinc/83/40/43/1422834043.db2.gz UCOZIJDFHMEOAO-HKUYNNGSSA-N 1 0 398.507 3.284 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000154094419 1422839318 /nfs/dbraw/zinc/83/93/18/1422839318.db2.gz ZGPAFRHHNCCQHJ-KPLVRAHFSA-N 1 0 383.492 3.437 20 5 GGBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000154161394 1422848900 /nfs/dbraw/zinc/84/89/00/1422848900.db2.gz JLXAAZOIMFYWSO-GOSISDBHSA-N 1 0 399.495 3.236 20 5 GGBDRO C[NH+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000154219039 1422857082 /nfs/dbraw/zinc/85/70/82/1422857082.db2.gz FCHYPXWMCQNLEY-UHFFFAOYSA-N 1 0 376.844 3.152 20 5 GGBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000154260027 1422863438 /nfs/dbraw/zinc/86/34/38/1422863438.db2.gz MXXVTQIZVMYCFW-MRXNPFEDSA-N 1 0 388.512 3.435 20 5 GGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000154268029 1422864583 /nfs/dbraw/zinc/86/45/83/1422864583.db2.gz SXGFWSDEVYBWQH-WMLDXEAASA-N 1 0 375.469 3.435 20 5 GGBDRO C[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000154399808 1422883783 /nfs/dbraw/zinc/88/37/83/1422883783.db2.gz CZPSRBNIJAPAGA-OLMNPRSZSA-N 1 0 393.484 3.253 20 5 GGBDRO CC(C)C1CCC([NH+]2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000154431715 1422888178 /nfs/dbraw/zinc/88/81/78/1422888178.db2.gz LFRBDHCYIFQSPL-CNBHCMJISA-N 1 0 375.513 3.461 20 5 GGBDRO CCC[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000154448651 1422889844 /nfs/dbraw/zinc/88/98/44/1422889844.db2.gz DBJNRNPBKLSZNV-MOPGFXCFSA-N 1 0 379.526 3.234 20 5 GGBDRO Cn1cc(CN2CC[NH+](Cc3ccccc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000154479202 1422894189 /nfs/dbraw/zinc/89/41/89/1422894189.db2.gz LAQKLSAOCRRRHJ-UHFFFAOYSA-N 1 0 391.475 3.313 20 5 GGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)c1 ZINC000154497712 1422897185 /nfs/dbraw/zinc/89/71/85/1422897185.db2.gz YLJBRCBCBLFQCM-SFHVURJKSA-N 1 0 384.432 3.459 20 5 GGBDRO CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154545408 1422918431 /nfs/dbraw/zinc/91/84/31/1422918431.db2.gz YQFXAQLEKKJPLG-VQIMIIECSA-N 1 0 381.473 3.157 20 5 GGBDRO COc1ccc(C[N@@H+]2CCC[C@H](CO)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000154613427 1422961944 /nfs/dbraw/zinc/96/19/44/1422961944.db2.gz PAFCOMMVVOKQIM-SFHVURJKSA-N 1 0 386.448 3.387 20 5 GGBDRO CCOc1cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000154629329 1422972450 /nfs/dbraw/zinc/97/24/50/1422972450.db2.gz SDOVCKNYHKQBHW-UHFFFAOYSA-N 1 0 391.468 3.093 20 5 GGBDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154640291 1422978353 /nfs/dbraw/zinc/97/83/53/1422978353.db2.gz VAPLUXGFNXAAAA-LESCRADOSA-N 1 0 393.484 3.253 20 5 GGBDRO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000179841048 1429605329 /nfs/dbraw/zinc/60/53/29/1429605329.db2.gz MMIOFNORSWCTPV-OAHLLOKOSA-N 1 0 399.447 3.463 20 5 GGBDRO COc1ccc([C@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)N2CCOCC2)cc1 ZINC000154962281 1423092102 /nfs/dbraw/zinc/09/21/02/1423092102.db2.gz OVMXYZOSSOMRBN-KKSFZXQISA-N 1 0 385.464 3.328 20 5 GGBDRO O=C(NCCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1cccc(O)c1 ZINC000155031141 1423126546 /nfs/dbraw/zinc/12/65/46/1423126546.db2.gz DGDFKYDFHRJALN-LJQANCHMSA-N 1 0 383.448 3.031 20 5 GGBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(N2CCCC2=O)c1 ZINC000155109029 1423170509 /nfs/dbraw/zinc/17/05/09/1423170509.db2.gz MAVRBYLEWCLRGJ-AWEZNQCLSA-N 1 0 382.420 3.011 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000155147035 1423195567 /nfs/dbraw/zinc/19/55/67/1423195567.db2.gz GFPNZFZEJKXAOO-GOSISDBHSA-N 1 0 388.512 3.430 20 5 GGBDRO CN(C(=O)CN1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000155146081 1423195794 /nfs/dbraw/zinc/19/57/94/1423195794.db2.gz RWVJPSXQJSAPJR-GOSISDBHSA-N 1 0 388.512 3.146 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000155146923 1423195798 /nfs/dbraw/zinc/19/57/98/1423195798.db2.gz VRVSHVSMOUEEJG-SFHVURJKSA-N 1 0 388.512 3.430 20 5 GGBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000155153741 1423199660 /nfs/dbraw/zinc/19/96/60/1423199660.db2.gz UNVPWITVMDZMKC-LLVKDONJSA-N 1 0 385.262 3.163 20 5 GGBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000155209797 1423248027 /nfs/dbraw/zinc/24/80/27/1423248027.db2.gz VLHMQYNILHHQQD-GFCCVEGCSA-N 1 0 385.262 3.305 20 5 GGBDRO CCn1cnnc1C1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000155390048 1423345170 /nfs/dbraw/zinc/34/51/70/1423345170.db2.gz NLZXUFVOEXTAGK-UHFFFAOYSA-N 1 0 396.451 3.283 20 5 GGBDRO Nc1ccc(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000155406838 1423351278 /nfs/dbraw/zinc/35/12/78/1423351278.db2.gz MDTJMRYTXYBCNS-UHFFFAOYSA-N 1 0 384.436 3.294 20 5 GGBDRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000155518849 1423396312 /nfs/dbraw/zinc/39/63/12/1423396312.db2.gz UKOVCVLXNPEHAB-UHFFFAOYSA-N 1 0 388.468 3.323 20 5 GGBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000155522363 1423398200 /nfs/dbraw/zinc/39/82/00/1423398200.db2.gz WVJLZLYBMLFYKY-INIZCTEOSA-N 1 0 397.479 3.134 20 5 GGBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000155626925 1423454594 /nfs/dbraw/zinc/45/45/94/1423454594.db2.gz UHOOKEFIBBPOAD-FYCOFBDGSA-N 1 0 380.448 3.345 20 5 GGBDRO Cc1c(CC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000155700993 1423493866 /nfs/dbraw/zinc/49/38/66/1423493866.db2.gz JSKZDDXSMVPDDX-INIZCTEOSA-N 1 0 382.464 3.183 20 5 GGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000155816394 1423546089 /nfs/dbraw/zinc/54/60/89/1423546089.db2.gz ZGSSBALNEFLDHO-MRXNPFEDSA-N 1 0 381.436 3.286 20 5 GGBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000155894916 1423582279 /nfs/dbraw/zinc/58/22/79/1423582279.db2.gz OYEXSHVZYVXRRZ-UHFFFAOYSA-N 1 0 390.390 3.186 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1cccs1 ZINC000179949676 1429658749 /nfs/dbraw/zinc/65/87/49/1429658749.db2.gz KCBIQHIQYQPJQH-GFCCVEGCSA-N 1 0 385.392 3.290 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000156143788 1423692376 /nfs/dbraw/zinc/69/23/76/1423692376.db2.gz BVHLCICQNXNBMQ-MRXNPFEDSA-N 1 0 385.439 3.399 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1cc(F)ccc1OC ZINC000179960142 1429663597 /nfs/dbraw/zinc/66/35/97/1429663597.db2.gz MVSMOJRWKCTXHD-GFCCVEGCSA-N 1 0 391.399 3.431 20 5 GGBDRO Cc1cccn2cc(CC[NH2+][C@H](C)CC(=O)Nc3cccc([N+](=O)[O-])c3)nc12 ZINC000156311359 1423771413 /nfs/dbraw/zinc/77/14/13/1423771413.db2.gz OMMSLHJDWLVYEU-OAHLLOKOSA-N 1 0 381.436 3.100 20 5 GGBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000156533287 1423824324 /nfs/dbraw/zinc/82/43/24/1423824324.db2.gz QUMLRROOHGPDQO-MAUKXSAKSA-N 1 0 382.464 3.406 20 5 GGBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000156541903 1423825210 /nfs/dbraw/zinc/82/52/10/1423825210.db2.gz OTAZTTJLKNUPFL-UHFFFAOYSA-N 1 0 398.463 3.147 20 5 GGBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000156795532 1423866430 /nfs/dbraw/zinc/86/64/30/1423866430.db2.gz BSNHYZCULPYCBA-UHFFFAOYSA-N 1 0 397.431 3.329 20 5 GGBDRO C[C@H]1C[C@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000156998647 1423899558 /nfs/dbraw/zinc/89/95/58/1423899558.db2.gz KIAJXVNOVBVEDK-OXJNMPFZSA-N 1 0 396.491 3.179 20 5 GGBDRO COc1cc(CN2CCC[C@@H]2C[NH+]2CCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179998110 1429681635 /nfs/dbraw/zinc/68/16/35/1429681635.db2.gz MKVHOSJRGNTZDU-OAHLLOKOSA-N 1 0 399.438 3.308 20 5 GGBDRO CC[C@H]1Oc2cc([C@H](C)[NH2+]CCOc3ccc([N+](=O)[O-])cc3)ccc2NC1=O ZINC000180003821 1429685332 /nfs/dbraw/zinc/68/53/32/1429685332.db2.gz JUNYTWZPNTZURL-SCLBCKFNSA-N 1 0 385.420 3.434 20 5 GGBDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000157348716 1423991746 /nfs/dbraw/zinc/99/17/46/1423991746.db2.gz AYJAXHGRGHTNAO-UHFFFAOYSA-N 1 0 398.463 3.079 20 5 GGBDRO O=C(c1ccc(C[NH+]2CCC(CO)CC2)cc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000157351509 1423992598 /nfs/dbraw/zinc/99/25/98/1423992598.db2.gz XLYFXTZLKZSUQC-UHFFFAOYSA-N 1 0 395.459 3.002 20 5 GGBDRO O=C(CN1CCC[C@H]([NH+]2CCCC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000157368532 1423995449 /nfs/dbraw/zinc/99/54/49/1423995449.db2.gz WDNWVOMCDFWBSW-AWEZNQCLSA-N 1 0 380.876 3.137 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000157570306 1424040511 /nfs/dbraw/zinc/04/05/11/1424040511.db2.gz ONWBKVRNVLNWHL-AWEZNQCLSA-N 1 0 392.475 3.433 20 5 GGBDRO COc1cccc([C@@H](O)C[N@H+](CCn2cc([N+](=O)[O-])cn2)Cc2ccccc2)c1 ZINC000157664443 1424060984 /nfs/dbraw/zinc/06/09/84/1424060984.db2.gz VGPDNOCJADXLNS-NRFANRHFSA-N 1 0 396.447 3.036 20 5 GGBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)c1 ZINC000157706124 1424069296 /nfs/dbraw/zinc/06/92/96/1424069296.db2.gz WGBGONIVOFFZEA-UHFFFAOYSA-N 1 0 375.816 3.466 20 5 GGBDRO COc1cccc([C@H](O)C[N@H+](CCn2ccc([N+](=O)[O-])n2)Cc2ccccc2)c1 ZINC000157781712 1424087349 /nfs/dbraw/zinc/08/73/49/1424087349.db2.gz SCGJQMORUMWASH-HXUWFJFHSA-N 1 0 396.447 3.036 20 5 GGBDRO Cn1cc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000157805707 1424092528 /nfs/dbraw/zinc/09/25/28/1424092528.db2.gz RQUJMEZMJUFSFQ-HXUWFJFHSA-N 1 0 384.411 3.132 20 5 GGBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](c3ccccc3OC)C2)c([N+](=O)[O-])c1 ZINC000157988124 1424135213 /nfs/dbraw/zinc/13/52/13/1424135213.db2.gz USMADBAPMRDVFX-OAHLLOKOSA-N 1 0 399.447 3.430 20 5 GGBDRO COc1ccccc1[C@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000158013036 1424139270 /nfs/dbraw/zinc/13/92/70/1424139270.db2.gz VFNBZRRGFOZKHD-HNNXBMFYSA-N 1 0 397.431 3.391 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000158058678 1424151784 /nfs/dbraw/zinc/15/17/84/1424151784.db2.gz KLSGIVGEQGPRIO-UGSOOPFHSA-N 1 0 385.420 3.253 20 5 GGBDRO COc1cc(CN2CCC([NH2+]C(C)C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180029896 1429703636 /nfs/dbraw/zinc/70/36/36/1429703636.db2.gz YYXJHFCNJLQUNX-UHFFFAOYSA-N 1 0 387.427 3.210 20 5 GGBDRO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)[C@@H]2C1 ZINC000158292456 1424218901 /nfs/dbraw/zinc/21/89/01/1424218901.db2.gz ODBMIAQUXYWRET-KURKYZTESA-N 1 0 387.436 3.061 20 5 GGBDRO O=C(NC1CC1)c1ccc(NCC2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC000180042319 1429709907 /nfs/dbraw/zinc/70/99/07/1429709907.db2.gz UTMVMFXAMBRINP-UHFFFAOYSA-N 1 0 395.463 3.211 20 5 GGBDRO CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000158399260 1424245362 /nfs/dbraw/zinc/24/53/62/1424245362.db2.gz MWKSAIFPHLNUPZ-IBGZPJMESA-N 1 0 399.487 3.181 20 5 GGBDRO O=C1CCc2cc([N+](=O)[O-])c(NCC3CCN(c4cc[nH+]cc4)CC3)cc2N1 ZINC000180046257 1429711920 /nfs/dbraw/zinc/71/19/20/1429711920.db2.gz YXAMSIDNZMSGQU-UHFFFAOYSA-N 1 0 381.436 3.203 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000158552020 1424287853 /nfs/dbraw/zinc/28/78/53/1424287853.db2.gz ALZGOJHKBVSTMV-QFIPXVFZSA-N 1 0 395.459 3.406 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000158573321 1424293393 /nfs/dbraw/zinc/29/33/93/1424293393.db2.gz BHBLBKCLNHLGFJ-OAQYLSRUSA-N 1 0 397.431 3.221 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)C1CC1 ZINC000158625999 1424304582 /nfs/dbraw/zinc/30/45/82/1424304582.db2.gz ADJOMXARIQNTSV-LJQANCHMSA-N 1 0 388.489 3.370 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1)C1CC1 ZINC000158625863 1424304713 /nfs/dbraw/zinc/30/47/13/1424304713.db2.gz ADJOMXARIQNTSV-IBGZPJMESA-N 1 0 388.489 3.370 20 5 GGBDRO CCOc1cc(C[N@H+](C)C(C)C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000158740487 1424331701 /nfs/dbraw/zinc/33/17/01/1424331701.db2.gz PVTOHSRGLFCVCA-UHFFFAOYSA-N 1 0 376.457 3.418 20 5 GGBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000159085084 1424413540 /nfs/dbraw/zinc/41/35/40/1424413540.db2.gz HUKIQODKVYRJKI-IXDOHACOSA-N 1 0 388.512 3.149 20 5 GGBDRO COc1cccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)[NH+]2CCCC2)c1 ZINC000159098183 1424416356 /nfs/dbraw/zinc/41/63/56/1424416356.db2.gz TVJAQYOCRFNTPI-IBGZPJMESA-N 1 0 399.447 3.179 20 5 GGBDRO CCN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159555920 1424512758 /nfs/dbraw/zinc/51/27/58/1424512758.db2.gz BEDJGLQQNFPDTI-OAQYLSRUSA-N 1 0 396.491 3.443 20 5 GGBDRO COc1ccccc1[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1C)[NH+]1CCCC1 ZINC000159550045 1424513161 /nfs/dbraw/zinc/51/31/61/1424513161.db2.gz BNCSDXLXUSHUAL-HXUWFJFHSA-N 1 0 397.475 3.408 20 5 GGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000159777148 1424534279 /nfs/dbraw/zinc/53/42/79/1424534279.db2.gz NOZVQFBKGISPDR-OAQYLSRUSA-N 1 0 375.428 3.404 20 5 GGBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159820477 1424539676 /nfs/dbraw/zinc/53/96/76/1424539676.db2.gz RWQGYZIOZSYTNB-UHFFFAOYSA-N 1 0 386.477 3.323 20 5 GGBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000160080363 1424571509 /nfs/dbraw/zinc/57/15/09/1424571509.db2.gz OVPPJGYXGZWDEV-LBPRGKRZSA-N 1 0 392.378 3.092 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-])c1ccccn1 ZINC000160590522 1424617406 /nfs/dbraw/zinc/61/74/06/1424617406.db2.gz GSTPOGHFUMYKJE-OIISXLGYSA-N 1 0 395.463 3.129 20 5 GGBDRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160915671 1424644407 /nfs/dbraw/zinc/64/44/07/1424644407.db2.gz JVIOOBQFCQAVJF-RBUKOAKNSA-N 1 0 375.469 3.262 20 5 GGBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000161029583 1424653982 /nfs/dbraw/zinc/65/39/82/1424653982.db2.gz ROUVFAJQNJOCSP-FQEVSTJZSA-N 1 0 396.491 3.001 20 5 GGBDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000161447116 1424690581 /nfs/dbraw/zinc/69/05/81/1424690581.db2.gz VSWGCGOCKVKHDQ-KBPBESRZSA-N 1 0 377.466 3.223 20 5 GGBDRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000161507298 1424696695 /nfs/dbraw/zinc/69/66/95/1424696695.db2.gz YIIVZAIBWUYYDN-UHFFFAOYSA-N 1 0 393.390 3.086 20 5 GGBDRO C[C@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000161554199 1424709321 /nfs/dbraw/zinc/70/93/21/1424709321.db2.gz DHUUEZOXTOTWHG-KBPBESRZSA-N 1 0 377.466 3.257 20 5 GGBDRO CCOC(=O)CC[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000161866361 1424782832 /nfs/dbraw/zinc/78/28/32/1424782832.db2.gz BPMFYSPFLBPAIJ-INIZCTEOSA-N 1 0 391.468 3.287 20 5 GGBDRO CC(C)NC(=O)c1ccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000161882558 1424786645 /nfs/dbraw/zinc/78/66/45/1424786645.db2.gz YYOUUWWVIMTFAQ-AEFFLSMTSA-N 1 0 386.496 3.186 20 5 GGBDRO CC(C)[C@@H](CCO)[NH2+][C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000161919246 1424796909 /nfs/dbraw/zinc/79/69/09/1424796909.db2.gz SYXZNTORDSMJIO-SWLSCSKDSA-N 1 0 392.481 3.042 20 5 GGBDRO O=C(c1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000161926846 1424798743 /nfs/dbraw/zinc/79/87/43/1424798743.db2.gz IBHGVUMSFZXJIE-UZLBHIALSA-N 1 0 398.507 3.284 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1SC ZINC000161961949 1424803663 /nfs/dbraw/zinc/80/36/63/1424803663.db2.gz PQQJKRZMYGTKTM-CYBMUJFWSA-N 1 0 381.498 3.033 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccccc1OCCN1CCOCC1 ZINC000162028752 1424810099 /nfs/dbraw/zinc/81/00/99/1424810099.db2.gz LMBCUMYYBNSIGD-SFHVURJKSA-N 1 0 399.491 3.465 20 5 GGBDRO C[NH+](C)CCN(Cc1cccc(F)c1)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000162151734 1424820378 /nfs/dbraw/zinc/82/03/78/1424820378.db2.gz JUQVCHNZOYJMAU-UHFFFAOYSA-N 1 0 386.427 3.187 20 5 GGBDRO CC(C)[NH+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(C)C ZINC000162724974 1424885246 /nfs/dbraw/zinc/88/52/46/1424885246.db2.gz RPGHSLISUAHLBZ-UHFFFAOYSA-N 1 0 397.419 3.011 20 5 GGBDRO CC(C)NC(=O)c1ccc(N2CCC(CCC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000162749164 1424887751 /nfs/dbraw/zinc/88/77/51/1424887751.db2.gz UBZREWQADAQAHL-UHFFFAOYSA-N 1 0 376.501 3.291 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000163050573 1424931120 /nfs/dbraw/zinc/93/11/20/1424931120.db2.gz PJHUYDWYOBPDLS-HEHGZKQESA-N 1 0 385.420 3.085 20 5 GGBDRO O=C(NCC[N@@H+]1CCc2ccccc2C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000163452542 1425001760 /nfs/dbraw/zinc/00/17/60/1425001760.db2.gz JDYAMFHSYIPZLH-UHFFFAOYSA-N 1 0 394.475 3.327 20 5 GGBDRO CCOc1cc(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000163593891 1425022513 /nfs/dbraw/zinc/02/25/13/1425022513.db2.gz FXASONDHDKYTDS-OAHLLOKOSA-N 1 0 393.484 3.100 20 5 GGBDRO CCOc1cc(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000163593764 1425022582 /nfs/dbraw/zinc/02/25/82/1425022582.db2.gz FXASONDHDKYTDS-HNNXBMFYSA-N 1 0 393.484 3.100 20 5 GGBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000164136487 1425079494 /nfs/dbraw/zinc/07/94/94/1425079494.db2.gz LFPNGYASDDCBET-KRWDZBQOSA-N 1 0 382.464 3.231 20 5 GGBDRO Cc1ccc([C@@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)N2CCOCC2)o1 ZINC000164606189 1425128331 /nfs/dbraw/zinc/12/83/31/1425128331.db2.gz BXLNNHNYTPMFHF-PZJWPPBQSA-N 1 0 399.491 3.480 20 5 GGBDRO CCc1ccc([C@@H](COC)[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000165248616 1425172520 /nfs/dbraw/zinc/17/25/20/1425172520.db2.gz SCHDFAFCXYBWTN-CXAGYDPISA-N 1 0 375.425 3.445 20 5 GGBDRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000170792495 1425345050 /nfs/dbraw/zinc/34/50/50/1425345050.db2.gz GCFGYEUNIBXVOL-UHFFFAOYSA-N 1 0 389.402 3.310 20 5 GGBDRO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000170912991 1425388278 /nfs/dbraw/zinc/38/82/78/1425388278.db2.gz MHKZUGFJZFOINH-QGZVFWFLSA-N 1 0 398.463 3.031 20 5 GGBDRO CN(C[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1)C(=O)OC(C)(C)C ZINC000170917690 1425390067 /nfs/dbraw/zinc/39/00/67/1425390067.db2.gz IKYBVUMRMGOUFA-OAHLLOKOSA-N 1 0 379.457 3.162 20 5 GGBDRO CN(C[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1)C(=O)OC(C)(C)C ZINC000170919333 1425392628 /nfs/dbraw/zinc/39/26/28/1425392628.db2.gz DZJYIGOCYHFHGE-HNNXBMFYSA-N 1 0 379.457 3.162 20 5 GGBDRO CN(C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000170919382 1425392887 /nfs/dbraw/zinc/39/28/87/1425392887.db2.gz UOMAHVOSLANGFT-HNNXBMFYSA-N 1 0 379.457 3.162 20 5 GGBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000170949653 1425409296 /nfs/dbraw/zinc/40/92/96/1425409296.db2.gz AQAPEKBEPKVOCO-UHFFFAOYSA-N 1 0 384.461 3.409 20 5 GGBDRO Cn1cc(C[NH2+]CCc2ccc3c(c2)OCCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171048910 1425454299 /nfs/dbraw/zinc/45/42/99/1425454299.db2.gz LIMFBFQXWABHDZ-UHFFFAOYSA-N 1 0 394.431 3.099 20 5 GGBDRO COc1cc(CNCC[NH+]2CCCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000171127658 1425496066 /nfs/dbraw/zinc/49/60/66/1425496066.db2.gz FWFCCHFDTYLETK-UHFFFAOYSA-N 1 0 385.464 3.368 20 5 GGBDRO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1Br)Cc1ccccc1 ZINC000171325542 1425617543 /nfs/dbraw/zinc/61/75/43/1425617543.db2.gz ZPPKKQYOOZIPKT-UHFFFAOYSA-N 1 0 392.253 3.219 20 5 GGBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000171352385 1425633115 /nfs/dbraw/zinc/63/31/15/1425633115.db2.gz OQJWNBXKECWJTI-IBGZPJMESA-N 1 0 388.512 3.291 20 5 GGBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000171352274 1425633203 /nfs/dbraw/zinc/63/32/03/1425633203.db2.gz ZILTVKRZMQCMFI-IBGZPJMESA-N 1 0 388.512 3.435 20 5 GGBDRO CCc1n[nH]c(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c1[N+](=O)[O-] ZINC000171370609 1425644565 /nfs/dbraw/zinc/64/45/65/1425644565.db2.gz IORRZQWTJMUSTQ-UHFFFAOYSA-N 1 0 385.468 3.042 20 5 GGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(C[NH+]2CCCC2)CC1 ZINC000171388632 1425655783 /nfs/dbraw/zinc/65/57/83/1425655783.db2.gz VJECQTHCTRVYOD-CQSZACIVSA-N 1 0 394.903 3.383 20 5 GGBDRO CCc1n[nH]c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000171397354 1425661224 /nfs/dbraw/zinc/66/12/24/1425661224.db2.gz VZUFEMYVSMCLQL-AWEZNQCLSA-N 1 0 391.497 3.145 20 5 GGBDRO CCc1n[nH]c(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](CC)CC)c1[N+](=O)[O-] ZINC000171397375 1425661294 /nfs/dbraw/zinc/66/12/94/1425661294.db2.gz KTAXZHJFFJXFGK-HNNXBMFYSA-N 1 0 393.875 3.347 20 5 GGBDRO CCc1n[nH]c(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000171399818 1425662115 /nfs/dbraw/zinc/66/21/15/1425662115.db2.gz YADVTJZHYRMJPH-CQSZACIVSA-N 1 0 385.468 3.185 20 5 GGBDRO CCc1n[nH]c(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000171399757 1425662459 /nfs/dbraw/zinc/66/24/59/1425662459.db2.gz YLOLXHGSBFYNMU-UHFFFAOYSA-N 1 0 385.468 3.042 20 5 GGBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000171473994 1425695848 /nfs/dbraw/zinc/69/58/48/1425695848.db2.gz GEBNAMSWEBJJTD-IBGZPJMESA-N 1 0 396.491 3.301 20 5 GGBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000171473996 1425696143 /nfs/dbraw/zinc/69/61/43/1425696143.db2.gz GEBNAMSWEBJJTD-LJQANCHMSA-N 1 0 396.491 3.301 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000171506569 1425708234 /nfs/dbraw/zinc/70/82/34/1425708234.db2.gz SORHCMKSFACLMA-KRWDZBQOSA-N 1 0 398.463 3.290 20 5 GGBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000171564840 1425738968 /nfs/dbraw/zinc/73/89/68/1425738968.db2.gz LFFTVSOXSBYBAR-FQEVSTJZSA-N 1 0 396.491 3.001 20 5 GGBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cc2ccccc2c2cccnc12 ZINC000171786629 1425820285 /nfs/dbraw/zinc/82/02/85/1425820285.db2.gz BFGMZDLQJDZTOO-UHFFFAOYSA-N 1 0 376.504 3.098 20 5 GGBDRO CCc1n[nH]c(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1[N+](=O)[O-] ZINC000171806379 1425825543 /nfs/dbraw/zinc/82/55/43/1425825543.db2.gz RZRSIBIGNRMAIY-UHFFFAOYSA-N 1 0 385.468 3.186 20 5 GGBDRO C[C@@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000171881143 1425841536 /nfs/dbraw/zinc/84/15/36/1425841536.db2.gz PFEHRCQBINUXGC-INIZCTEOSA-N 1 0 393.447 3.031 20 5 GGBDRO O=C(NCc1ccccc1[N+](=O)[O-])NCC1([NH+]2CCSCC2)CCCCC1 ZINC000171976463 1425866059 /nfs/dbraw/zinc/86/60/59/1425866059.db2.gz HUXWLTKDTGQLAI-UHFFFAOYSA-N 1 0 392.525 3.146 20 5 GGBDRO Cc1cc(S(=O)(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000172021603 1425876382 /nfs/dbraw/zinc/87/63/82/1425876382.db2.gz NWLHPOPQXVTPSW-DLBZAZTESA-N 1 0 395.525 3.178 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000172111739 1425899199 /nfs/dbraw/zinc/89/91/99/1425899199.db2.gz RPIUAYIBCCSIKG-UHFFFAOYSA-N 1 0 383.404 3.341 20 5 GGBDRO C[NH+](C)Cc1ccccc1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000172268732 1425976066 /nfs/dbraw/zinc/97/60/66/1425976066.db2.gz ADAUDFLDJHRHKU-UHFFFAOYSA-N 1 0 391.855 3.395 20 5 GGBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172418393 1426034450 /nfs/dbraw/zinc/03/44/50/1426034450.db2.gz JWRYFMVHWWFRTG-UHFFFAOYSA-N 1 0 386.496 3.286 20 5 GGBDRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000172423135 1426037408 /nfs/dbraw/zinc/03/74/08/1426037408.db2.gz AKGAEIHJWRXPAO-UHFFFAOYSA-N 1 0 394.475 3.086 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CCC[C@H]2O)cc1 ZINC000172633246 1426120712 /nfs/dbraw/zinc/12/07/12/1426120712.db2.gz YZQTVKQQTUGUCC-WOJBJXKFSA-N 1 0 378.432 3.451 20 5 GGBDRO CC[NH+]1CCN(c2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)c(C)c2)CC1 ZINC000172685172 1426142013 /nfs/dbraw/zinc/14/20/13/1426142013.db2.gz RUFUXCOKHILDDT-UHFFFAOYSA-N 1 0 382.464 3.226 20 5 GGBDRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000172684213 1426142139 /nfs/dbraw/zinc/14/21/39/1426142139.db2.gz WGIWVTGJXXOSLA-UHFFFAOYSA-N 1 0 388.855 3.181 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000172694384 1426147163 /nfs/dbraw/zinc/14/71/63/1426147163.db2.gz LQPUPKNJHDPYKP-KRWDZBQOSA-N 1 0 382.464 3.401 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000172694861 1426147616 /nfs/dbraw/zinc/14/76/16/1426147616.db2.gz QOEWGCNCACWDRV-QGZVFWFLSA-N 1 0 382.464 3.401 20 5 GGBDRO Cc1c(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000172707353 1426152915 /nfs/dbraw/zinc/15/29/15/1426152915.db2.gz LHNBOEZIPPFRDG-OAHLLOKOSA-N 1 0 390.440 3.068 20 5 GGBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000172809497 1426199104 /nfs/dbraw/zinc/19/91/04/1426199104.db2.gz TZEBYCOENIQFLJ-QGZVFWFLSA-N 1 0 394.475 3.438 20 5 GGBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000172809492 1426199347 /nfs/dbraw/zinc/19/93/47/1426199347.db2.gz TZEBYCOENIQFLJ-KRWDZBQOSA-N 1 0 394.475 3.438 20 5 GGBDRO COc1ccc([C@H]2CC[N@H+](Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C2)cc1 ZINC000172899724 1426245877 /nfs/dbraw/zinc/24/58/77/1426245877.db2.gz BMBKKYUIQDSLBC-KRWDZBQOSA-N 1 0 379.420 3.309 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172903333 1426249379 /nfs/dbraw/zinc/24/93/79/1426249379.db2.gz CLLVPVPIDIHZPB-QGZVFWFLSA-N 1 0 392.463 3.017 20 5 GGBDRO COc1ccccc1[C@@H](CNC(=O)c1cc(C)ccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000172953470 1426282229 /nfs/dbraw/zinc/28/22/29/1426282229.db2.gz RHFGKWVFSGUTEI-LJQANCHMSA-N 1 0 383.448 3.479 20 5 GGBDRO COc1ccccc1[C@H](CNC(=O)c1cc(C)ccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000172953466 1426282658 /nfs/dbraw/zinc/28/26/58/1426282658.db2.gz RHFGKWVFSGUTEI-IBGZPJMESA-N 1 0 383.448 3.479 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)c1 ZINC000173028752 1426315312 /nfs/dbraw/zinc/31/53/12/1426315312.db2.gz RBYWXFAGKPZQPL-UHFFFAOYSA-N 1 0 377.391 3.385 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000173068792 1426330638 /nfs/dbraw/zinc/33/06/38/1426330638.db2.gz PWAQZBHNQJUQJY-OAQYLSRUSA-N 1 0 396.491 3.012 20 5 GGBDRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cc(C)ccc3[N+](=O)[O-])cc2)CC1 ZINC000173087396 1426336791 /nfs/dbraw/zinc/33/67/91/1426336791.db2.gz JGEYZKUVEGYBMC-UHFFFAOYSA-N 1 0 382.464 3.293 20 5 GGBDRO C[C@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000173202821 1426391183 /nfs/dbraw/zinc/39/11/83/1426391183.db2.gz SVEGUQSIKGJAMX-GJZGRUSLSA-N 1 0 379.420 3.458 20 5 GGBDRO C[C@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000173204305 1426392013 /nfs/dbraw/zinc/39/20/13/1426392013.db2.gz WDGANIXYDHNPJQ-GJZGRUSLSA-N 1 0 379.420 3.458 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000173204337 1426392609 /nfs/dbraw/zinc/39/26/09/1426392609.db2.gz WDGANIXYDHNPJQ-LSDHHAIUSA-N 1 0 379.420 3.458 20 5 GGBDRO C[C@@H]([NH2+][C@H](C)c1cccc(-n2cccn2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000173204352 1426392894 /nfs/dbraw/zinc/39/28/94/1426392894.db2.gz WDGANIXYDHNPJQ-HUUCEWRRSA-N 1 0 379.420 3.458 20 5 GGBDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(-n2cccn2)c1 ZINC000173205986 1426393332 /nfs/dbraw/zinc/39/33/32/1426393332.db2.gz LSKNQSJBQCCKRA-MGPUTAFESA-N 1 0 391.431 3.237 20 5 GGBDRO Cc1cc(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000173206629 1426394003 /nfs/dbraw/zinc/39/40/03/1426394003.db2.gz GLNUGAUZWOPSEJ-MRXNPFEDSA-N 1 0 382.464 3.222 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000173234249 1426420620 /nfs/dbraw/zinc/42/06/20/1426420620.db2.gz MCRAEFNTVNCHDT-UHFFFAOYSA-N 1 0 388.512 3.430 20 5 GGBDRO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000173264401 1426442505 /nfs/dbraw/zinc/44/25/05/1426442505.db2.gz YCYCEVBAIIEWSU-SFHVURJKSA-N 1 0 386.496 3.189 20 5 GGBDRO C[C@@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000173333028 1426514442 /nfs/dbraw/zinc/51/44/42/1426514442.db2.gz ZVMDZTYZDMRXES-ZIAGYGMSSA-N 1 0 377.466 3.257 20 5 GGBDRO C[C@@H]([NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173334893 1426516281 /nfs/dbraw/zinc/51/62/81/1426516281.db2.gz KCJCCSKJFROVGC-OAHLLOKOSA-N 1 0 383.448 3.146 20 5 GGBDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000173339617 1426519267 /nfs/dbraw/zinc/51/92/67/1426519267.db2.gz RWZJQWNQYOPQQF-UHFFFAOYSA-N 1 0 399.451 3.389 20 5 GGBDRO CCc1ccc(C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000173349133 1426526274 /nfs/dbraw/zinc/52/62/74/1426526274.db2.gz ZJOCNSAUKYVXCC-UHFFFAOYSA-N 1 0 384.436 3.300 20 5 GGBDRO C[C@H]([NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173351699 1426528223 /nfs/dbraw/zinc/52/82/23/1426528223.db2.gz GMISJZIHWLNOIS-YWZLYKJASA-N 1 0 383.448 3.354 20 5 GGBDRO C[C@@H]([NH2+]Cc1cccc(OCCN2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173353637 1426529572 /nfs/dbraw/zinc/52/95/72/1426529572.db2.gz VYHKEIUXGFWRPJ-QGZVFWFLSA-N 1 0 385.464 3.157 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccccc1)[C@H](CO)C(C)C ZINC000173412942 1426596471 /nfs/dbraw/zinc/59/64/71/1426596471.db2.gz YEMLKYOGRSQTBB-HXUWFJFHSA-N 1 0 385.464 3.361 20 5 GGBDRO C[C@H]([NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000173435847 1426617145 /nfs/dbraw/zinc/61/71/45/1426617145.db2.gz JRVNWVQTWXOMRR-ZBEGNZNMSA-N 1 0 378.812 3.404 20 5 GGBDRO C[C@@H]([NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000173435892 1426617484 /nfs/dbraw/zinc/61/74/84/1426617484.db2.gz JRVNWVQTWXOMRR-BDJLRTHQSA-N 1 0 378.812 3.404 20 5 GGBDRO C[C@@H]([NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000173435864 1426617740 /nfs/dbraw/zinc/61/77/40/1426617740.db2.gz JRVNWVQTWXOMRR-BZNIZROVSA-N 1 0 378.812 3.404 20 5 GGBDRO CC(C)CNC(=O)c1cccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000173467939 1426643249 /nfs/dbraw/zinc/64/32/49/1426643249.db2.gz DGLCYMKIRIUOSQ-GOSISDBHSA-N 1 0 397.479 3.062 20 5 GGBDRO CC[C@](C)([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1nccs1 ZINC000173507035 1426676673 /nfs/dbraw/zinc/67/66/73/1426676673.db2.gz XZXLYBMPGDJSKS-KRWDZBQOSA-N 1 0 378.454 3.304 20 5 GGBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000173510309 1426679837 /nfs/dbraw/zinc/67/98/37/1426679837.db2.gz ZQBDJODIJZNYED-QGZVFWFLSA-N 1 0 396.491 3.373 20 5 GGBDRO COc1cc(C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000173514969 1426685016 /nfs/dbraw/zinc/68/50/16/1426685016.db2.gz LQTPSEGNEDALRB-INIZCTEOSA-N 1 0 383.448 3.340 20 5 GGBDRO C[C@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000173531122 1426705256 /nfs/dbraw/zinc/70/52/56/1426705256.db2.gz IIYAXFTUVUTOFL-KRWDZBQOSA-N 1 0 383.448 3.097 20 5 GGBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C1 ZINC000173587390 1426751841 /nfs/dbraw/zinc/75/18/41/1426751841.db2.gz FKFYAOJHBVXHRP-CYBMUJFWSA-N 1 0 381.498 3.129 20 5 GGBDRO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000173621519 1426800738 /nfs/dbraw/zinc/80/07/38/1426800738.db2.gz ZYGOHOBMFVCTKC-YVEFUNNKSA-N 1 0 398.385 3.397 20 5 GGBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173637656 1426805574 /nfs/dbraw/zinc/80/55/74/1426805574.db2.gz HCCKQTRPLFCOLP-KGLIPLIRSA-N 1 0 382.892 3.381 20 5 GGBDRO O=C1[C@H]([N@@H+]2CC[C@H](COCc3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000173655116 1426811682 /nfs/dbraw/zinc/81/16/82/1426811682.db2.gz NWKXGVFKDMBYHM-GHTZIAJQSA-N 1 0 395.459 3.239 20 5 GGBDRO O=C(C[N@@H+]1CC[C@@H](COCc2ccccc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000173657071 1426812440 /nfs/dbraw/zinc/81/24/40/1426812440.db2.gz BRDAHBDBYRRFTL-GOSISDBHSA-N 1 0 395.459 3.023 20 5 GGBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](Cc2ccccc2F)C2CCCCC2)c1 ZINC000173666281 1426814557 /nfs/dbraw/zinc/81/45/57/1426814557.db2.gz BYNGFOGGVXYDDB-GOSISDBHSA-N 1 0 376.432 3.126 20 5 GGBDRO COc1ccccc1C[C@H](C)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000173693126 1426822769 /nfs/dbraw/zinc/82/27/69/1426822769.db2.gz AGJVHNCOGRLGKG-HNNXBMFYSA-N 1 0 383.448 3.056 20 5 GGBDRO CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000173708568 1426828011 /nfs/dbraw/zinc/82/80/11/1426828011.db2.gz ZZWBJIXRKVXJAD-KRWDZBQOSA-N 1 0 398.419 3.240 20 5 GGBDRO COc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000173714092 1426829582 /nfs/dbraw/zinc/82/95/82/1426829582.db2.gz CGEVTKRYUGIEHQ-GOSISDBHSA-N 1 0 383.448 3.340 20 5 GGBDRO CC[NH+](CC)C[C@H]1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000173786197 1426851007 /nfs/dbraw/zinc/85/10/07/1426851007.db2.gz ZVIBVGMDDZYPGA-UONOGXRCSA-N 1 0 382.892 3.239 20 5 GGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C1 ZINC000173804762 1426855874 /nfs/dbraw/zinc/85/58/74/1426855874.db2.gz AOHCGSSFCOPBSZ-CYBMUJFWSA-N 1 0 381.498 3.129 20 5 GGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000173817318 1426859607 /nfs/dbraw/zinc/85/96/07/1426859607.db2.gz RJMZYDOWZHWBLY-KRWDZBQOSA-N 1 0 388.512 3.002 20 5 GGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173972937 1426917629 /nfs/dbraw/zinc/91/76/29/1426917629.db2.gz CCYQHYDJSGODRP-MJGOQNOKSA-N 1 0 396.491 3.376 20 5 GGBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173972928 1426918174 /nfs/dbraw/zinc/91/81/74/1426918174.db2.gz CCYQHYDJSGODRP-HKUYNNGSSA-N 1 0 396.491 3.376 20 5 GGBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000174049300 1426971005 /nfs/dbraw/zinc/97/10/05/1426971005.db2.gz FQUKJPMXEOXXFZ-IBGZPJMESA-N 1 0 396.491 3.397 20 5 GGBDRO CN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000174210446 1427052734 /nfs/dbraw/zinc/05/27/34/1427052734.db2.gz JXWNELXBIDKZKU-HXUWFJFHSA-N 1 0 382.464 3.401 20 5 GGBDRO CC[NH+](CC)C[C@H]1CCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000174211992 1427053385 /nfs/dbraw/zinc/05/33/85/1427053385.db2.gz VJTCIVIXSFPATA-CYBMUJFWSA-N 1 0 387.427 3.369 20 5 GGBDRO O=c1[nH]c2ccccc2cc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174243137 1427066494 /nfs/dbraw/zinc/06/64/94/1427066494.db2.gz BBBWCAMJBBTAEC-UHFFFAOYSA-N 1 0 379.416 3.480 20 5 GGBDRO C[C@H](C(=O)N1CCCCCC1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174248889 1427069109 /nfs/dbraw/zinc/06/91/09/1427069109.db2.gz QNOCEPXHSKXVEK-MRXNPFEDSA-N 1 0 375.469 3.229 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000174367962 1427123323 /nfs/dbraw/zinc/12/33/23/1427123323.db2.gz OFGAPYJMMSGOOB-LSDHHAIUSA-N 1 0 379.420 3.458 20 5 GGBDRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000174367939 1427123424 /nfs/dbraw/zinc/12/34/24/1427123424.db2.gz OFGAPYJMMSGOOB-GJZGRUSLSA-N 1 0 379.420 3.458 20 5 GGBDRO COc1ccc(OCCN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000174403745 1427141810 /nfs/dbraw/zinc/14/18/10/1427141810.db2.gz FFBJBDYHRPDCCL-IBGZPJMESA-N 1 0 399.491 3.436 20 5 GGBDRO Cc1cc([C@](C)(O)C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000174440195 1427157121 /nfs/dbraw/zinc/15/71/21/1427157121.db2.gz PEUZWCZKFVKKMG-HXUWFJFHSA-N 1 0 384.436 3.202 20 5 GGBDRO C[N@@H+]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000174567040 1427228388 /nfs/dbraw/zinc/22/83/88/1427228388.db2.gz AWYGCPCKJOMZHC-UHFFFAOYSA-N 1 0 386.496 3.286 20 5 GGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H](O)COc3ccc(F)cc3)CC2)cc1 ZINC000174802192 1427376815 /nfs/dbraw/zinc/37/68/15/1427376815.db2.gz NXRKIULBQNOLOL-KRWDZBQOSA-N 1 0 390.411 3.017 20 5 GGBDRO Cc1ccccc1OC[C@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174802896 1427377800 /nfs/dbraw/zinc/37/78/00/1427377800.db2.gz XKUNWDYLCINTRZ-GOSISDBHSA-N 1 0 386.448 3.186 20 5 GGBDRO C[C@@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000174806920 1427379175 /nfs/dbraw/zinc/37/91/75/1427379175.db2.gz FNSQABDSTOLDDA-XHSDSOJGSA-N 1 0 375.469 3.226 20 5 GGBDRO C[NH+](C)Cc1cccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000174811370 1427381289 /nfs/dbraw/zinc/38/12/89/1427381289.db2.gz LIMTVASWZYQYJS-UHFFFAOYSA-N 1 0 383.448 3.340 20 5 GGBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000174837906 1427397396 /nfs/dbraw/zinc/39/73/96/1427397396.db2.gz ANVMMXFZMLKYDN-HOTGVXAUSA-N 1 0 380.920 3.239 20 5 GGBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H](O)COc1cccc2ccccc21 ZINC000174842646 1427400959 /nfs/dbraw/zinc/40/09/59/1427400959.db2.gz YWIXUDCOHHSXCA-IBGZPJMESA-N 1 0 398.463 3.095 20 5 GGBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174945802 1427460227 /nfs/dbraw/zinc/46/02/27/1427460227.db2.gz AHNKYZNXSGKNGQ-SFHVURJKSA-N 1 0 396.491 3.255 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000174949021 1427461677 /nfs/dbraw/zinc/46/16/77/1427461677.db2.gz APESYAJQEIWHKR-QGZVFWFLSA-N 1 0 383.448 3.198 20 5 GGBDRO CCC[N@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000174950989 1427462492 /nfs/dbraw/zinc/46/24/92/1427462492.db2.gz PIBNVYZEWNXBHN-KBPBESRZSA-N 1 0 382.892 3.239 20 5 GGBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000174972174 1427473438 /nfs/dbraw/zinc/47/34/38/1427473438.db2.gz FMNVAKNXVMOYQN-LJQANCHMSA-N 1 0 396.491 3.012 20 5 GGBDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000174997245 1427487325 /nfs/dbraw/zinc/48/73/25/1427487325.db2.gz CPKUQPBVHAHTAI-BFUOFWGJSA-N 1 0 385.420 3.068 20 5 GGBDRO Cc1c(C(=O)NCC2CC[NH+](CCC(C)C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000175169239 1427579150 /nfs/dbraw/zinc/57/91/50/1427579150.db2.gz OMBGAOBQPOEDGW-UHFFFAOYSA-N 1 0 392.456 3.299 20 5 GGBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000175169623 1427579945 /nfs/dbraw/zinc/57/99/45/1427579945.db2.gz WQFCIAXDNCHBIZ-GOSISDBHSA-N 1 0 382.464 3.258 20 5 GGBDRO C[C@H]1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000175267833 1427635890 /nfs/dbraw/zinc/63/58/90/1427635890.db2.gz FSVZMPKPEUZZAQ-KRWDZBQOSA-N 1 0 382.464 3.401 20 5 GGBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000175286179 1427647921 /nfs/dbraw/zinc/64/79/21/1427647921.db2.gz VMJGKYXAZYWAFL-KRWDZBQOSA-N 1 0 382.464 3.161 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000175289343 1427649285 /nfs/dbraw/zinc/64/92/85/1427649285.db2.gz CNCGJEDGJKZSNP-UHFFFAOYSA-N 1 0 377.485 3.070 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N3CC[NH2+]C(C)(C)C3)cc2[N+](=O)[O-])n1 ZINC000175417923 1427743639 /nfs/dbraw/zinc/74/36/39/1427743639.db2.gz WSXBDBQJEOQTTQ-UHFFFAOYSA-N 1 0 392.506 3.335 20 5 GGBDRO COc1ccc(OCC[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c([N+](=O)[O-])c1 ZINC000175498246 1427790294 /nfs/dbraw/zinc/79/02/94/1427790294.db2.gz DVYVTAOIXYVADP-HNNXBMFYSA-N 1 0 397.435 3.256 20 5 GGBDRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000175570945 1427818740 /nfs/dbraw/zinc/81/87/40/1427818740.db2.gz MHGULPQFIWNOLS-UHFFFAOYSA-N 1 0 384.864 3.259 20 5 GGBDRO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000175659341 1427847535 /nfs/dbraw/zinc/84/75/35/1427847535.db2.gz LGJLFCUNGKTLJA-UHFFFAOYSA-N 1 0 395.887 3.261 20 5 GGBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000175660731 1427847888 /nfs/dbraw/zinc/84/78/88/1427847888.db2.gz PGBXUEDKVGTXLC-UHFFFAOYSA-N 1 0 376.482 3.049 20 5 GGBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000175662240 1427848920 /nfs/dbraw/zinc/84/89/20/1427848920.db2.gz NOXBFTYMBQFSTF-UHFFFAOYSA-N 1 0 388.493 3.435 20 5 GGBDRO C[NH+](C)CCOc1ccccc1CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175938590 1427984978 /nfs/dbraw/zinc/98/49/78/1427984978.db2.gz UFTGSGLXWXDION-UHFFFAOYSA-N 1 0 377.828 3.119 20 5 GGBDRO O=C(CN1CC[C@@H](OCCCc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000175953905 1427994933 /nfs/dbraw/zinc/99/49/33/1427994933.db2.gz JHAALUTVESCCJX-GOSISDBHSA-N 1 0 383.448 3.257 20 5 GGBDRO CC(C)C1CCC([NH+]2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000176027153 1428034258 /nfs/dbraw/zinc/03/42/58/1428034258.db2.gz SMTZDYHSGMTPBQ-UHFFFAOYSA-N 1 0 388.512 3.366 20 5 GGBDRO COc1ccccc1[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)[NH+]1CCCCC1 ZINC000176071951 1428067661 /nfs/dbraw/zinc/06/76/61/1428067661.db2.gz WXGJSKUGCHZOMJ-GOSISDBHSA-N 1 0 398.463 3.143 20 5 GGBDRO C[C@@H]1C[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000176136434 1428109865 /nfs/dbraw/zinc/10/98/65/1428109865.db2.gz MFIBIESFJBOQHQ-SJLPKXTDSA-N 1 0 383.448 3.143 20 5 GGBDRO O=[N+]([O-])c1ccn(CCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000176189135 1428152847 /nfs/dbraw/zinc/15/28/47/1428152847.db2.gz CZOGDUGSUBHCOD-UHFFFAOYSA-N 1 0 391.475 3.199 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000176224121 1428176983 /nfs/dbraw/zinc/17/69/83/1428176983.db2.gz WDEPFOIKYHDZGK-UHFFFAOYSA-N 1 0 383.452 3.393 20 5 GGBDRO O=[N+]([O-])c1ccn(CC[N@@H+](CCCO)C(c2ccccc2)c2ccccc2)n1 ZINC000176228312 1428179893 /nfs/dbraw/zinc/17/98/93/1428179893.db2.gz XBCRPJSPTVCMHM-UHFFFAOYSA-N 1 0 380.448 3.265 20 5 GGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000180204827 1429801146 /nfs/dbraw/zinc/80/11/46/1429801146.db2.gz HMQYDYWTSNGQQS-UHFFFAOYSA-N 1 0 386.477 3.358 20 5 GGBDRO C[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000180210647 1429802800 /nfs/dbraw/zinc/80/28/00/1429802800.db2.gz BOFMCTOXEHVMNU-GFCCVEGCSA-N 1 0 385.449 3.127 20 5 GGBDRO Cc1nn(CCC(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c(C)c1[N+](=O)[O-] ZINC000180230648 1429809166 /nfs/dbraw/zinc/80/91/66/1429809166.db2.gz ULPRTLRILRTYIZ-UHFFFAOYSA-N 1 0 385.468 3.075 20 5 GGBDRO COc1ccc(COCC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000180263129 1429818190 /nfs/dbraw/zinc/81/81/90/1429818190.db2.gz BPORZNPMFSZRRA-UHFFFAOYSA-N 1 0 396.447 3.310 20 5 GGBDRO COc1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180280281 1429823517 /nfs/dbraw/zinc/82/35/17/1429823517.db2.gz DHVRTEAAFKPXOL-HIFRSBDPSA-N 1 0 399.438 3.163 20 5 GGBDRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000180314631 1429834311 /nfs/dbraw/zinc/83/43/11/1429834311.db2.gz VKFNGWDZGFKBKH-UHFFFAOYSA-N 1 0 384.392 3.394 20 5 GGBDRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000180315395 1429834602 /nfs/dbraw/zinc/83/46/02/1429834602.db2.gz GEMSQZCCHABBEL-UHFFFAOYSA-N 1 0 379.420 3.362 20 5 GGBDRO C[C@H]([NH2+]CC(=O)NCCOc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180392995 1429854959 /nfs/dbraw/zinc/85/49/59/1429854959.db2.gz SVJUGTRZLMSOIU-ZDUSSCGKSA-N 1 0 377.828 3.094 20 5 GGBDRO C[C@@H]([NH2+]CC(=O)NCCOc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180393012 1429855011 /nfs/dbraw/zinc/85/50/11/1429855011.db2.gz SVJUGTRZLMSOIU-CYBMUJFWSA-N 1 0 377.828 3.094 20 5 GGBDRO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180415583 1429862797 /nfs/dbraw/zinc/86/27/97/1429862797.db2.gz XZGQXFSDHCNMIR-OAHLLOKOSA-N 1 0 399.447 3.065 20 5 GGBDRO COc1ccc(Cl)cc1CNC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180417284 1429863202 /nfs/dbraw/zinc/86/32/02/1429863202.db2.gz VJUIFJUVEVGCRD-GFCCVEGCSA-N 1 0 377.828 3.224 20 5 GGBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000180423344 1429865006 /nfs/dbraw/zinc/86/50/06/1429865006.db2.gz VQHULHHUVRGIJE-UHFFFAOYSA-N 1 0 398.463 3.134 20 5 GGBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000180431512 1429867749 /nfs/dbraw/zinc/86/77/49/1429867749.db2.gz DLUPTPAIKSAIKN-UHFFFAOYSA-N 1 0 398.463 3.134 20 5 GGBDRO CCN(CC)C(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180435578 1429868761 /nfs/dbraw/zinc/86/87/61/1429868761.db2.gz XFKQSMYFKIAYRX-HNNXBMFYSA-N 1 0 398.463 3.366 20 5 GGBDRO C[C@H]([NH2+]CC(=O)NCc1ccc(OC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180448395 1429871686 /nfs/dbraw/zinc/87/16/86/1429871686.db2.gz QBKYKVVYXLRQRV-LBPRGKRZSA-N 1 0 397.353 3.460 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000180556884 1429897230 /nfs/dbraw/zinc/89/72/30/1429897230.db2.gz VIATVKSBLMOXGT-UHFFFAOYSA-N 1 0 398.463 3.100 20 5 GGBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000180622143 1429937749 /nfs/dbraw/zinc/93/77/49/1429937749.db2.gz QQQATKPZGYKNGM-DYVFJYSZSA-N 1 0 385.420 3.434 20 5 GGBDRO CC1CC[NH+](Cc2ccc(CNC(=O)c3c(N)cccc3[N+](=O)[O-])cc2)CC1 ZINC000180629642 1429942482 /nfs/dbraw/zinc/94/24/82/1429942482.db2.gz WXMOJBMATHQMQH-UHFFFAOYSA-N 1 0 382.464 3.339 20 5 GGBDRO COC(=O)[C@@H](O)C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000180671417 1429967054 /nfs/dbraw/zinc/96/70/54/1429967054.db2.gz QOMMLYQUBYKDKC-SFHVURJKSA-N 1 0 390.461 3.069 20 5 GGBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180729503 1430004450 /nfs/dbraw/zinc/00/44/50/1430004450.db2.gz JCSQNICORFDUCC-GASCZTMLSA-N 1 0 395.525 3.324 20 5 GGBDRO O=C1[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000180764252 1430025719 /nfs/dbraw/zinc/02/57/19/1430025719.db2.gz HSKAAHFUKWGRBW-NWANDNLSSA-N 1 0 385.386 3.059 20 5 GGBDRO O=C(NCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1c(F)cccc1F ZINC000180787294 1430040473 /nfs/dbraw/zinc/04/04/73/1430040473.db2.gz PBWJOGJRXFMLMA-KRWDZBQOSA-N 1 0 389.402 3.214 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(F)cc1 ZINC000180803331 1430049482 /nfs/dbraw/zinc/04/94/82/1430049482.db2.gz AGIKLVZEMWHNTM-OAHLLOKOSA-N 1 0 397.353 3.368 20 5 GGBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180833552 1430062302 /nfs/dbraw/zinc/06/23/02/1430062302.db2.gz KOBRLUCISQYMSY-KRWDZBQOSA-N 1 0 382.464 3.161 20 5 GGBDRO COc1cc(C[N@@H+]2CC[C@H]([C@H](C)O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000180851344 1430069884 /nfs/dbraw/zinc/06/98/84/1430069884.db2.gz DLSBHCXTPAIYDS-YJBOKZPZSA-N 1 0 386.448 3.385 20 5 GGBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000180854792 1430071771 /nfs/dbraw/zinc/07/17/71/1430071771.db2.gz MHPLDWHAGKJLGU-HNNXBMFYSA-N 1 0 379.420 3.460 20 5 GGBDRO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)Cc1ccccc1 ZINC000180899411 1430097886 /nfs/dbraw/zinc/09/78/86/1430097886.db2.gz BQCYYKNVFRGWFW-UHFFFAOYSA-N 1 0 379.363 3.058 20 5 GGBDRO COc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000180913416 1430108025 /nfs/dbraw/zinc/10/80/25/1430108025.db2.gz PJAWKOGFCFHSGS-HNAYVOBHSA-N 1 0 383.448 3.364 20 5 GGBDRO COc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000180913452 1430108808 /nfs/dbraw/zinc/10/88/08/1430108808.db2.gz PJAWKOGFCFHSGS-KXBFYZLASA-N 1 0 383.448 3.364 20 5 GGBDRO CC1CC[NH+](Cc2ccccc2CNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000180932562 1430122080 /nfs/dbraw/zinc/12/20/80/1430122080.db2.gz LTQMVPFFPJYOIY-UHFFFAOYSA-N 1 0 382.464 3.339 20 5 GGBDRO CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000181000684 1430161098 /nfs/dbraw/zinc/16/10/98/1430161098.db2.gz IYVLXDKSTVHDLP-FQEVSTJZSA-N 1 0 384.480 3.127 20 5 GGBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](c2cccc(Cl)c2)C2CCCC2)c1 ZINC000181048092 1430184913 /nfs/dbraw/zinc/18/49/13/1430184913.db2.gz KLPIARUUQPEDAM-QZTJIDSGSA-N 1 0 378.860 3.327 20 5 GGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2COC3(CCOCC3)O2)s1 ZINC000181071974 1430198095 /nfs/dbraw/zinc/19/80/95/1430198095.db2.gz WYHBPAVSFRTBIB-CQSZACIVSA-N 1 0 390.461 3.335 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3COC4(CCOCC4)O3)s2)cc1 ZINC000181074144 1430198974 /nfs/dbraw/zinc/19/89/74/1430198974.db2.gz VIDMILSXKOVVGM-INIZCTEOSA-N 1 0 390.461 3.335 20 5 GGBDRO C[C@H]1C[C@H](N(C)C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000181109297 1430213760 /nfs/dbraw/zinc/21/37/60/1430213760.db2.gz HDRXYNLRELOYQI-DOTOQJQBSA-N 1 0 382.464 3.302 20 5 GGBDRO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3C)C2=O)c1 ZINC000181209027 1430248303 /nfs/dbraw/zinc/24/83/03/1430248303.db2.gz CQJJAUJJSYLCSR-KUHUBIRLSA-N 1 0 399.447 3.377 20 5 GGBDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3C)C2=O)c1 ZINC000181208990 1430248482 /nfs/dbraw/zinc/24/84/82/1430248482.db2.gz CQJJAUJJSYLCSR-AUUYWEPGSA-N 1 0 399.447 3.377 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000181210794 1430248684 /nfs/dbraw/zinc/24/86/84/1430248684.db2.gz WSGGLBGZDNEHNB-PBEJRMEISA-N 1 0 386.448 3.092 20 5 GGBDRO COc1ccc(NC(=O)C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000181236941 1430254038 /nfs/dbraw/zinc/25/40/38/1430254038.db2.gz LNPZPEQOKRPRCT-DNVCBOLYSA-N 1 0 399.447 3.299 20 5 GGBDRO C[C@@H]1C[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@@H+]1Cc1ccccc1 ZINC000181305411 1430268417 /nfs/dbraw/zinc/26/84/17/1430268417.db2.gz QUDNLIZJDFYMBA-RHSMWYFYSA-N 1 0 397.431 3.106 20 5 GGBDRO CCC[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000181317292 1430271775 /nfs/dbraw/zinc/27/17/75/1430271775.db2.gz ZXRCRIKNBAMYDI-QGZVFWFLSA-N 1 0 382.464 3.304 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181420178 1430294290 /nfs/dbraw/zinc/29/42/90/1430294290.db2.gz KATJQUKGORTFEB-OAHLLOKOSA-N 1 0 396.447 3.319 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000181426545 1430295959 /nfs/dbraw/zinc/29/59/59/1430295959.db2.gz DWYDGFFTIBAHCU-LSDHHAIUSA-N 1 0 396.447 3.399 20 5 GGBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(N2CCCC2=O)c1 ZINC000181449430 1430301884 /nfs/dbraw/zinc/30/18/84/1430301884.db2.gz XOSPODIKPJCUEC-HNNXBMFYSA-N 1 0 396.447 3.401 20 5 GGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000181501161 1430311355 /nfs/dbraw/zinc/31/13/55/1430311355.db2.gz PLGWODNVFQJUHJ-UHFFFAOYSA-N 1 0 397.522 3.148 20 5 GGBDRO CC(C)[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(C(F)(F)F)cc1 ZINC000181511317 1430313079 /nfs/dbraw/zinc/31/30/79/1430313079.db2.gz QKZRXNVYQWHPKO-CVEARBPZSA-N 1 0 386.374 3.158 20 5 GGBDRO O=C1[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCCN1CC(F)(F)F ZINC000181525898 1430315457 /nfs/dbraw/zinc/31/54/57/1430315457.db2.gz WVJKNKJWJINZQD-VNQPRFMTSA-N 1 0 399.413 3.449 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(COc2ccccc2)CC1 ZINC000181572867 1430321777 /nfs/dbraw/zinc/32/17/77/1430321777.db2.gz SVTQSNZIDQXTDP-GOSISDBHSA-N 1 0 386.448 3.126 20 5 GGBDRO C[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181633984 1430331669 /nfs/dbraw/zinc/33/16/69/1430331669.db2.gz BLOGQIMDTJNTIK-HOTGVXAUSA-N 1 0 397.479 3.163 20 5 GGBDRO C[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181633944 1430331707 /nfs/dbraw/zinc/33/17/07/1430331707.db2.gz BLOGQIMDTJNTIK-JKSUJKDBSA-N 1 0 397.479 3.163 20 5 GGBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000181642898 1430333395 /nfs/dbraw/zinc/33/33/95/1430333395.db2.gz RAFDKSAHVMBNDP-KBPBESRZSA-N 1 0 390.440 3.194 20 5 GGBDRO CC(C)(C)CC[NH+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000181653051 1430335453 /nfs/dbraw/zinc/33/54/53/1430335453.db2.gz PNNBWQUOROPDBW-UHFFFAOYSA-N 1 0 380.464 3.116 20 5 GGBDRO C[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181670963 1430338782 /nfs/dbraw/zinc/33/87/82/1430338782.db2.gz MLTZHFALBYQXAU-CVEARBPZSA-N 1 0 397.479 3.163 20 5 GGBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1 ZINC000181752365 1430352666 /nfs/dbraw/zinc/35/26/66/1430352666.db2.gz SJXFQRORPLRQKU-UHFFFAOYSA-N 1 0 385.420 3.094 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCCO[C@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000181814412 1430365808 /nfs/dbraw/zinc/36/58/08/1430365808.db2.gz BJTBIOTWXUXLBJ-BXWFABGCSA-N 1 0 377.485 3.265 20 5 GGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCCCOC2CCCCC2)cc1[N+](=O)[O-] ZINC000181819222 1430366851 /nfs/dbraw/zinc/36/68/51/1430366851.db2.gz OCIIULAQJXQERQ-MRXNPFEDSA-N 1 0 377.485 3.409 20 5 GGBDRO CC[NH+](CC)CCCC1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000181828506 1430368645 /nfs/dbraw/zinc/36/86/45/1430368645.db2.gz JEJVEIORXMVIFE-UHFFFAOYSA-N 1 0 397.541 3.337 20 5 GGBDRO Cc1ccc([C@@H](C)[NH2+]CCCOc2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000181827637 1430368695 /nfs/dbraw/zinc/36/86/95/1430368695.db2.gz FHFJZGCCZLZYTH-OAHLLOKOSA-N 1 0 392.477 3.426 20 5 GGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(C)CCOc2ccccc2F)cc1[N+](=O)[O-] ZINC000181832958 1430369337 /nfs/dbraw/zinc/36/93/37/1430369337.db2.gz YVWCMTXXUVATKT-OAHLLOKOSA-N 1 0 389.427 3.230 20 5 GGBDRO Cc1ccc(OC2CC[NH+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000181891419 1430378605 /nfs/dbraw/zinc/37/86/05/1430378605.db2.gz WEFQVBAMOZFFOM-KRWDZBQOSA-N 1 0 386.448 3.186 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000181925124 1430384351 /nfs/dbraw/zinc/38/43/51/1430384351.db2.gz UGLUEVAZAAFCSO-IRXDYDNUSA-N 1 0 388.489 3.449 20 5 GGBDRO C[C@@H]([NH2+][C@@H](CC(N)=O)C1CCCCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000182036065 1430399568 /nfs/dbraw/zinc/39/95/68/1430399568.db2.gz DXUUJCRBJGPBLB-WBMJQRKESA-N 1 0 387.440 3.120 20 5 GGBDRO C[C@H]([NH2+][C@H](CC(N)=O)C1CCCCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000182036085 1430399616 /nfs/dbraw/zinc/39/96/16/1430399616.db2.gz DXUUJCRBJGPBLB-BLLLJJGKSA-N 1 0 387.440 3.120 20 5 GGBDRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)O1 ZINC000182039708 1430400346 /nfs/dbraw/zinc/40/03/46/1430400346.db2.gz DODGLSAFPJVNJN-RDJZCZTQSA-N 1 0 389.477 3.049 20 5 GGBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000182073973 1430406715 /nfs/dbraw/zinc/40/67/15/1430406715.db2.gz ZHMNBURHJDNTCD-MRXNPFEDSA-N 1 0 393.447 3.031 20 5 GGBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](CCCOCC(F)(F)F)CC2)c(Cl)c1 ZINC000182086859 1430409005 /nfs/dbraw/zinc/40/90/05/1430409005.db2.gz KSGUBTDGGVQUAH-UHFFFAOYSA-N 1 0 395.809 3.335 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000182108100 1430413259 /nfs/dbraw/zinc/41/32/59/1430413259.db2.gz JZKBCBFXILZMGU-HNNXBMFYSA-N 1 0 397.431 3.060 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000182194166 1430427659 /nfs/dbraw/zinc/42/76/59/1430427659.db2.gz LWYUVJPSSLFNQQ-SFHVURJKSA-N 1 0 386.448 3.016 20 5 GGBDRO COc1ccc([C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000182197551 1430428377 /nfs/dbraw/zinc/42/83/77/1430428377.db2.gz MXROVYRVRQBHFS-LJQANCHMSA-N 1 0 392.477 3.364 20 5 GGBDRO COc1ccc([C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000182197649 1430428398 /nfs/dbraw/zinc/42/83/98/1430428398.db2.gz OGGKBGNVCOEWCA-LJQANCHMSA-N 1 0 390.461 3.118 20 5 GGBDRO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182215311 1430431053 /nfs/dbraw/zinc/43/10/53/1430431053.db2.gz XLPPBPFJYZAEQY-OAHLLOKOSA-N 1 0 384.354 3.485 20 5 GGBDRO C[C@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000182289282 1430442925 /nfs/dbraw/zinc/44/29/25/1430442925.db2.gz NALQLXKPTVWZMZ-GUYCJALGSA-N 1 0 375.400 3.384 20 5 GGBDRO O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000182303505 1430445459 /nfs/dbraw/zinc/44/54/59/1430445459.db2.gz ZMXZLIPZSPJEGY-UHFFFAOYSA-N 1 0 383.448 3.042 20 5 GGBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000182308450 1430446054 /nfs/dbraw/zinc/44/60/54/1430446054.db2.gz NWPYGUMWTVTSKY-UHFFFAOYSA-N 1 0 397.431 3.060 20 5 GGBDRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000182379343 1430455940 /nfs/dbraw/zinc/45/59/40/1430455940.db2.gz PIHUVOFPXCVEKA-UHFFFAOYSA-N 1 0 397.541 3.259 20 5 GGBDRO CC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1c(C)noc1C ZINC000182514453 1430481383 /nfs/dbraw/zinc/48/13/83/1430481383.db2.gz RISJPQRXMRJQIF-AWEZNQCLSA-N 1 0 376.413 3.278 20 5 GGBDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000182551456 1430489903 /nfs/dbraw/zinc/48/99/03/1430489903.db2.gz DRCFGJZWNUXGPQ-NSHDSACASA-N 1 0 390.827 3.496 20 5 GGBDRO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000182582102 1430496997 /nfs/dbraw/zinc/49/69/97/1430496997.db2.gz ZKQKWCLKWVBTPF-LRDDRELGSA-N 1 0 395.406 3.285 20 5 GGBDRO C[C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCc2ccccc2C1 ZINC000182620057 1430503654 /nfs/dbraw/zinc/50/36/54/1430503654.db2.gz QIZWOTCXEOOAMI-HUUCEWRRSA-N 1 0 385.439 3.400 20 5 GGBDRO C[C@H](C(=O)NCCC[N@@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000182629165 1430505473 /nfs/dbraw/zinc/50/54/73/1430505473.db2.gz WTKUPUNFFCPXRS-HNNXBMFYSA-N 1 0 385.439 3.402 20 5 GGBDRO CCOCCCNC(=O)C1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182650862 1430510464 /nfs/dbraw/zinc/51/04/64/1430510464.db2.gz NVTFVSHZNXMBJW-INIZCTEOSA-N 1 0 377.485 3.219 20 5 GGBDRO C[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1nnc2ccccn21 ZINC000182671665 1430514286 /nfs/dbraw/zinc/51/42/86/1430514286.db2.gz MMPFIQGTRQGVCY-CYBMUJFWSA-N 1 0 378.392 3.186 20 5 GGBDRO Cc1c(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000182880087 1430561035 /nfs/dbraw/zinc/56/10/35/1430561035.db2.gz LZFTXQBBGPUIJW-SFHVURJKSA-N 1 0 398.463 3.182 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1C ZINC000183020227 1430594256 /nfs/dbraw/zinc/59/42/56/1430594256.db2.gz ZOYMDALDKVWQDJ-HOTGVXAUSA-N 1 0 395.525 3.143 20 5 GGBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1C ZINC000183032283 1430597061 /nfs/dbraw/zinc/59/70/61/1430597061.db2.gz FKETYPYFJGMIMR-HOTGVXAUSA-N 1 0 395.525 3.143 20 5 GGBDRO Cn1cc(CN(CCC[NH3+])c2cccc(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000183219542 1430651012 /nfs/dbraw/zinc/65/10/12/1430651012.db2.gz FLICWRDJVDMGLW-UHFFFAOYSA-N 1 0 383.427 3.490 20 5 GGBDRO COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000183450359 1430714601 /nfs/dbraw/zinc/71/46/01/1430714601.db2.gz SPWLKAVTBFIYKV-ZIAGYGMSSA-N 1 0 385.420 3.449 20 5 GGBDRO COc1cc(F)c([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000183466977 1430718720 /nfs/dbraw/zinc/71/87/20/1430718720.db2.gz CAIMOHVPWOWXMM-LBPRGKRZSA-N 1 0 391.399 3.431 20 5 GGBDRO COc1cc(F)c([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000183466991 1430718872 /nfs/dbraw/zinc/71/88/72/1430718872.db2.gz CAIMOHVPWOWXMM-GFCCVEGCSA-N 1 0 391.399 3.431 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](c1nc(C)cs1)C1CC1 ZINC000183492597 1430726509 /nfs/dbraw/zinc/72/65/09/1430726509.db2.gz KYSVLXIKVIZXFX-KRWDZBQOSA-N 1 0 390.465 3.438 20 5 GGBDRO COc1cc(F)c([C@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000183506775 1430730587 /nfs/dbraw/zinc/73/05/87/1430730587.db2.gz JFNYYBPLMITEET-LBPRGKRZSA-N 1 0 391.399 3.431 20 5 GGBDRO O=C(C[NH2+]C1(c2ccccc2)CCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000183535367 1430737020 /nfs/dbraw/zinc/73/70/20/1430737020.db2.gz LFQDFSDIMJLTMM-UHFFFAOYSA-N 1 0 383.404 3.321 20 5 GGBDRO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccc(-n2cccn2)c1 ZINC000183572305 1430744165 /nfs/dbraw/zinc/74/41/65/1430744165.db2.gz JYRXYFBEFYNKMH-HNNXBMFYSA-N 1 0 391.431 3.020 20 5 GGBDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc(-n2cccn2)c1 ZINC000183588899 1430748832 /nfs/dbraw/zinc/74/88/32/1430748832.db2.gz SJDPUOXUWBONAS-OAHLLOKOSA-N 1 0 379.420 3.094 20 5 GGBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000183642534 1430761485 /nfs/dbraw/zinc/76/14/85/1430761485.db2.gz BLEPZASAXWNGSX-UHFFFAOYSA-N 1 0 383.452 3.162 20 5 GGBDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000183665054 1430766884 /nfs/dbraw/zinc/76/68/84/1430766884.db2.gz MTZJTKPWOZSYIM-QZTJIDSGSA-N 1 0 376.428 3.331 20 5 GGBDRO CN(C(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000183670442 1430768215 /nfs/dbraw/zinc/76/82/15/1430768215.db2.gz JSXXWYIAXQPPOR-UXHICEINSA-N 1 0 388.512 3.004 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000183765058 1430788938 /nfs/dbraw/zinc/78/89/38/1430788938.db2.gz PSUGAKVOMYCMLB-LJQANCHMSA-N 1 0 397.475 3.017 20 5 GGBDRO CCN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183763182 1430789127 /nfs/dbraw/zinc/78/91/27/1430789127.db2.gz KZEMMOKEUDWQHT-GOSISDBHSA-N 1 0 382.464 3.130 20 5 GGBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000183836677 1430803040 /nfs/dbraw/zinc/80/30/40/1430803040.db2.gz JULOXSZVZHAWLI-ZFWWWQNUSA-N 1 0 388.424 3.181 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@H](C)c1nccs1 ZINC000183975640 1430821524 /nfs/dbraw/zinc/82/15/24/1430821524.db2.gz BHLXZILBPWJHBG-LBPRGKRZSA-N 1 0 378.454 3.124 20 5 GGBDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000184130723 1430845317 /nfs/dbraw/zinc/84/53/17/1430845317.db2.gz KMPCHDYAHHFRKN-IBGZPJMESA-N 1 0 391.493 3.097 20 5 GGBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+][C@]2(CO)CCOC2)cc1 ZINC000184191984 1430854040 /nfs/dbraw/zinc/85/40/40/1430854040.db2.gz DWLHVFPNFOZUAK-SFHVURJKSA-N 1 0 378.812 3.282 20 5 GGBDRO CC[NH+](CC)Cc1cccc(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000184226089 1430859192 /nfs/dbraw/zinc/85/91/92/1430859192.db2.gz OXTFWYMDMMZFSN-UHFFFAOYSA-N 1 0 391.493 3.056 20 5 GGBDRO COc1cc(C[NH2+][C@H](C)C[S@](C)=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000184256479 1430863342 /nfs/dbraw/zinc/86/33/42/1430863342.db2.gz ZQJQPOGUHNUMPS-ASHKIFAZSA-N 1 0 392.477 3.039 20 5 GGBDRO C[C@@H](C[S@@](C)=O)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000184266587 1430864968 /nfs/dbraw/zinc/86/49/68/1430864968.db2.gz HOXSSJMCEVWQKW-OHZJNBGDSA-N 1 0 398.488 3.304 20 5 GGBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1nc(C)cs1 ZINC000184345654 1430875695 /nfs/dbraw/zinc/87/56/95/1430875695.db2.gz FZUAAPAXORMZLA-ZDUSSCGKSA-N 1 0 378.454 3.438 20 5 GGBDRO COc1cc(CN2CCC(CCC[NH+]3CCOCC3)CC2)c([N+](=O)[O-])cc1F ZINC000184356769 1430877487 /nfs/dbraw/zinc/87/74/87/1430877487.db2.gz LAGJRDJKBMOMBU-UHFFFAOYSA-N 1 0 395.475 3.067 20 5 GGBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000184369612 1430879358 /nfs/dbraw/zinc/87/93/58/1430879358.db2.gz OEROMPCFHDYHRZ-ZDUSSCGKSA-N 1 0 378.454 3.438 20 5 GGBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1nc(C)cs1 ZINC000184437743 1430887826 /nfs/dbraw/zinc/88/78/26/1430887826.db2.gz MVRANPBVOJZRGS-CYBMUJFWSA-N 1 0 378.454 3.438 20 5 GGBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC000184445122 1430888595 /nfs/dbraw/zinc/88/85/95/1430888595.db2.gz WHSFGZFHLQBMIU-GXTWGEPZSA-N 1 0 379.482 3.439 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000184486143 1430893287 /nfs/dbraw/zinc/89/32/87/1430893287.db2.gz PVTSYCZBCRSKQG-IRXDYDNUSA-N 1 0 395.525 3.011 20 5 GGBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000184509372 1430896640 /nfs/dbraw/zinc/89/66/40/1430896640.db2.gz NIKFJXDOGJKWHB-STQMWFEESA-N 1 0 379.482 3.439 20 5 GGBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000184509411 1430896743 /nfs/dbraw/zinc/89/67/43/1430896743.db2.gz NIKFJXDOGJKWHB-QWHCGFSZSA-N 1 0 379.482 3.439 20 5 GGBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000184509427 1430896801 /nfs/dbraw/zinc/89/68/01/1430896801.db2.gz NIKFJXDOGJKWHB-CHWSQXEVSA-N 1 0 379.482 3.439 20 5 GGBDRO C[C@H](C(=O)NC1CC[NH+](Cc2cccnc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000184558182 1430904237 /nfs/dbraw/zinc/90/42/37/1430904237.db2.gz OYUOTDHSLFQTHT-AWEZNQCLSA-N 1 0 386.427 3.013 20 5 GGBDRO CSCC[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000184597579 1430914246 /nfs/dbraw/zinc/91/42/46/1430914246.db2.gz VXIBSOUUOWOFLH-CQSZACIVSA-N 1 0 387.465 3.100 20 5 GGBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000184754451 1430967416 /nfs/dbraw/zinc/96/74/16/1430967416.db2.gz VRPSZVCOFXIJFU-IRXDYDNUSA-N 1 0 396.491 3.280 20 5 GGBDRO C[C@@H](C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000184770568 1430972105 /nfs/dbraw/zinc/97/21/05/1430972105.db2.gz WEVPDNQVSFOZLM-KZULUSFZSA-N 1 0 377.391 3.396 20 5 GGBDRO CCc1ccc([C@@H](COC)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000184854350 1431004328 /nfs/dbraw/zinc/00/43/28/1431004328.db2.gz FNNBYWIISOWZBN-QGZVFWFLSA-N 1 0 375.425 3.365 20 5 GGBDRO CC[NH+]1CCN(c2cccc(NC(=O)NCCc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000184899170 1431016644 /nfs/dbraw/zinc/01/66/44/1431016644.db2.gz QXUYBUPKBDNCQJ-UHFFFAOYSA-N 1 0 397.479 3.101 20 5 GGBDRO COc1cccc([C@H](CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)[NH+](C)C)c1 ZINC000184912314 1431019557 /nfs/dbraw/zinc/01/95/57/1431019557.db2.gz YQJWWTDOOKQUCY-YJYMSZOUSA-N 1 0 389.427 3.265 20 5 GGBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)o1 ZINC000184918519 1431021042 /nfs/dbraw/zinc/02/10/42/1431021042.db2.gz QNMUOKOMHHYHJW-AWEZNQCLSA-N 1 0 377.416 3.329 20 5 GGBDRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000184945640 1431027850 /nfs/dbraw/zinc/02/78/50/1431027850.db2.gz XILVWIHQDFSLOS-ROUUACIJSA-N 1 0 386.477 3.096 20 5 GGBDRO C[C@@H](C(=O)NCc1cccc(OCC[NH+](C)C)c1)c1ccc([N+](=O)[O-])cc1F ZINC000185027222 1431044411 /nfs/dbraw/zinc/04/44/11/1431044411.db2.gz GXEPRDIFJQEWTB-CQSZACIVSA-N 1 0 389.427 3.094 20 5 GGBDRO C[C@H](C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000185038400 1431046808 /nfs/dbraw/zinc/04/68/08/1431046808.db2.gz ZDKMGQHIMXNGSP-SGTLLEGYSA-N 1 0 377.391 3.396 20 5 GGBDRO CC[C@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000185290667 1431101331 /nfs/dbraw/zinc/10/13/31/1431101331.db2.gz YAHSEUFSRWMLOO-IBGZPJMESA-N 1 0 389.477 3.376 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185300099 1431105046 /nfs/dbraw/zinc/10/50/46/1431105046.db2.gz HUKDUGWUJRAYCS-UONOGXRCSA-N 1 0 378.375 3.102 20 5 GGBDRO CC[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000185342628 1431120559 /nfs/dbraw/zinc/12/05/59/1431120559.db2.gz UJDVJUHEVJKKND-SFTDATJTSA-N 1 0 397.475 3.106 20 5 GGBDRO Cc1c([C@@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000185351683 1431123401 /nfs/dbraw/zinc/12/34/01/1431123401.db2.gz GRCZHGVPJRXGIH-XLIONFOSSA-N 1 0 397.475 3.024 20 5 GGBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000185414298 1431140069 /nfs/dbraw/zinc/14/00/69/1431140069.db2.gz MZRBIALJABPYOP-KRWDZBQOSA-N 1 0 388.512 3.192 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000185421923 1431142322 /nfs/dbraw/zinc/14/23/22/1431142322.db2.gz YRBSOAXRDZHAOX-KUHUBIRLSA-N 1 0 380.448 3.412 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185492400 1431156944 /nfs/dbraw/zinc/15/69/44/1431156944.db2.gz WRNKYAXIATYIIF-UHFFFAOYSA-N 1 0 383.448 3.215 20 5 GGBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1COc2ccccc21 ZINC000185550284 1431169032 /nfs/dbraw/zinc/16/90/32/1431169032.db2.gz KVXHFAAVVRZBRY-BXUZGUMPSA-N 1 0 375.812 3.341 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)[C@H]1COc2ccccc21 ZINC000185551495 1431169334 /nfs/dbraw/zinc/16/93/34/1431169334.db2.gz WMXLYTOZJOKBKN-CZUORRHYSA-N 1 0 385.420 3.086 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000185551475 1431169373 /nfs/dbraw/zinc/16/93/73/1431169373.db2.gz WMXLYTOZJOKBKN-XJKSGUPXSA-N 1 0 385.420 3.086 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000185551435 1431169394 /nfs/dbraw/zinc/16/93/94/1431169394.db2.gz WMXLYTOZJOKBKN-BBRMVZONSA-N 1 0 385.420 3.086 20 5 GGBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)[C@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC000185580414 1431175522 /nfs/dbraw/zinc/17/55/22/1431175522.db2.gz PNLMWIFJEHIUHT-XJKSGUPXSA-N 1 0 385.420 3.086 20 5 GGBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000185631547 1431189582 /nfs/dbraw/zinc/18/95/82/1431189582.db2.gz ANQQKNILJNUKKG-BXUZGUMPSA-N 1 0 375.812 3.341 20 5 GGBDRO Cn1cc(C[NH+]2CCC(O)(c3ccccc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000185638842 1431191963 /nfs/dbraw/zinc/19/19/63/1431191963.db2.gz KMOAPDSGOMEGHL-UHFFFAOYSA-N 1 0 392.459 3.479 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)[C@H]1COc2ccccc21 ZINC000185645863 1431194141 /nfs/dbraw/zinc/19/41/41/1431194141.db2.gz WNNOENSVOPXDHR-CZUORRHYSA-N 1 0 385.420 3.086 20 5 GGBDRO C[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185720177 1431214873 /nfs/dbraw/zinc/21/48/73/1431214873.db2.gz BUGJBKLJDNVZDL-ZBFHGGJFSA-N 1 0 385.468 3.387 20 5 GGBDRO C[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185752110 1431224443 /nfs/dbraw/zinc/22/44/43/1431224443.db2.gz ZZEQVQWVQMVEND-KBPBESRZSA-N 1 0 394.903 3.429 20 5 GGBDRO NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000185931942 1431284574 /nfs/dbraw/zinc/28/45/74/1431284574.db2.gz LJYLDVPIFDHUFX-SFHVURJKSA-N 1 0 375.856 3.257 20 5 GGBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000186009819 1431310700 /nfs/dbraw/zinc/31/07/00/1431310700.db2.gz GIBCJRMLUMTQEM-CQSZACIVSA-N 1 0 382.892 3.415 20 5 GGBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000186009875 1431310851 /nfs/dbraw/zinc/31/08/51/1431310851.db2.gz LGXVPGAGOUPCKI-RDTXWAMCSA-N 1 0 392.887 3.407 20 5 GGBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000186009912 1431310921 /nfs/dbraw/zinc/31/09/21/1431310921.db2.gz LGXVPGAGOUPCKI-KBXCAEBGSA-N 1 0 392.887 3.407 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C[NH+]2CCCCCC2)cc1SC ZINC000186250089 1431362503 /nfs/dbraw/zinc/36/25/03/1431362503.db2.gz AONWPCOZWFILBC-CYBMUJFWSA-N 1 0 381.498 3.320 20 5 GGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000186340445 1431387371 /nfs/dbraw/zinc/38/73/71/1431387371.db2.gz OLMJTFBLDCTGBR-FPPRHVDESA-N 1 0 398.463 3.127 20 5 GGBDRO CCOc1ccc(C(=O)N(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000186565058 1431455422 /nfs/dbraw/zinc/45/54/22/1431455422.db2.gz RHNGWDHEPLGTCO-GOSISDBHSA-N 1 0 398.463 3.173 20 5 GGBDRO CCO[C@H]1C[C@](CO)([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1(C)C ZINC000186576779 1431458721 /nfs/dbraw/zinc/45/87/21/1431458721.db2.gz JIFKJGWFGVPINE-QFBILLFUSA-N 1 0 391.493 3.374 20 5 GGBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186601677 1431466041 /nfs/dbraw/zinc/46/60/41/1431466041.db2.gz GHVJSLFGRWLERA-IBGZPJMESA-N 1 0 382.464 3.093 20 5 GGBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000186608328 1431467908 /nfs/dbraw/zinc/46/79/08/1431467908.db2.gz SMTZIALKCAAKSP-XLIONFOSSA-N 1 0 388.489 3.370 20 5 GGBDRO CCOC(=O)C[C@@](C)([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)C ZINC000186706725 1431497100 /nfs/dbraw/zinc/49/71/00/1431497100.db2.gz HYPOQSSTWZCUJB-GOSISDBHSA-N 1 0 376.413 3.102 20 5 GGBDRO C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000186711217 1431498082 /nfs/dbraw/zinc/49/80/82/1431498082.db2.gz FVRAXUHPFXCMSG-CYBMUJFWSA-N 1 0 393.440 3.125 20 5 GGBDRO CC1(C)OCc2cc(C[N@@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)ccc2O1 ZINC000186821074 1431528375 /nfs/dbraw/zinc/52/83/75/1431528375.db2.gz NSJLVLGAOUXEPY-MRXNPFEDSA-N 1 0 384.436 3.321 20 5 GGBDRO C[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187213859 1431651029 /nfs/dbraw/zinc/65/10/29/1431651029.db2.gz RNYVRGJYTUPICP-QRWLVFNGSA-N 1 0 393.447 3.202 20 5 GGBDRO C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H](c1ccccc1)[NH+](C)C ZINC000187233381 1431658585 /nfs/dbraw/zinc/65/85/85/1431658585.db2.gz CYHXSGIMCIJZSS-SZNDQCEHSA-N 1 0 380.448 3.426 20 5 GGBDRO C[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](c1ccccc1)[NH+](C)C ZINC000187255571 1431668702 /nfs/dbraw/zinc/66/87/02/1431668702.db2.gz SWXDTSXWGNADMG-MGPUTAFESA-N 1 0 393.447 3.202 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)c1 ZINC000187327860 1431698012 /nfs/dbraw/zinc/69/80/12/1431698012.db2.gz UDUOBAGKONULGX-IBGZPJMESA-N 1 0 385.464 3.490 20 5 GGBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@@H+]1Cc1ccccc1 ZINC000187359557 1431708046 /nfs/dbraw/zinc/70/80/46/1431708046.db2.gz ONGULKCDTUZNHO-WBVHZDCISA-N 1 0 382.464 3.302 20 5 GGBDRO COc1cc(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000187612751 1431779172 /nfs/dbraw/zinc/77/91/72/1431779172.db2.gz HBAOXQXGGMZALP-IBGZPJMESA-N 1 0 383.448 3.244 20 5 GGBDRO CC1CCN(c2ccc(C(=O)N(C)CC3([NH+](C)C)CCC3)cc2[N+](=O)[O-])CC1 ZINC000187998332 1431834976 /nfs/dbraw/zinc/83/49/76/1431834976.db2.gz MYNMUICSFDZYGH-UHFFFAOYSA-N 1 0 388.512 3.387 20 5 GGBDRO CSc1cccc(C(=O)NCc2ccccc2OCC[NH+](C)C)c1[N+](=O)[O-] ZINC000188095655 1431845957 /nfs/dbraw/zinc/84/59/57/1431845957.db2.gz BVRFWQJRMIYTPA-UHFFFAOYSA-N 1 0 389.477 3.187 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188304636 1431871154 /nfs/dbraw/zinc/87/11/54/1431871154.db2.gz HMXFODRAFBCDCR-NRFANRHFSA-N 1 0 398.463 3.004 20 5 GGBDRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1 ZINC000188368774 1431877816 /nfs/dbraw/zinc/87/78/16/1431877816.db2.gz IYTROJRHMFTTHV-UHFFFAOYSA-N 1 0 394.435 3.270 20 5 GGBDRO Cc1c(NC(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000188370073 1431877932 /nfs/dbraw/zinc/87/79/32/1431877932.db2.gz JBTWBNMOMOCINJ-OAQYLSRUSA-N 1 0 398.463 3.004 20 5 GGBDRO C[C@@H]1CN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000188423389 1431883019 /nfs/dbraw/zinc/88/30/19/1431883019.db2.gz RXIFEXRJEGMGSE-CYBMUJFWSA-N 1 0 388.855 3.294 20 5 GGBDRO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000188703821 1431939336 /nfs/dbraw/zinc/93/93/36/1431939336.db2.gz SZWYHRSXEJGPCN-UHFFFAOYSA-N 1 0 380.448 3.118 20 5 GGBDRO CC1CCN(c2ccc(C(=O)NCc3ccc4c(c3)C[NH2+]C4)cc2[N+](=O)[O-])CC1 ZINC000188752043 1431958288 /nfs/dbraw/zinc/95/82/88/1431958288.db2.gz BPERTRPGOHSMIL-UHFFFAOYSA-N 1 0 394.475 3.364 20 5 GGBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000188963603 1432017342 /nfs/dbraw/zinc/01/73/42/1432017342.db2.gz BESBSPLNJSFBHS-SJKOYZFVSA-N 1 0 395.793 3.402 20 5 GGBDRO CC[N@H+](C)Cc1cccc(CNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000189157496 1432054343 /nfs/dbraw/zinc/05/43/43/1432054343.db2.gz QOVHPBNXJQFZEJ-UHFFFAOYSA-N 1 0 398.463 3.019 20 5 GGBDRO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000189210025 1432064062 /nfs/dbraw/zinc/06/40/62/1432064062.db2.gz ONYBDFOLQUPIPV-HNNXBMFYSA-N 1 0 389.477 3.328 20 5 GGBDRO COc1cc(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000189627174 1432183451 /nfs/dbraw/zinc/18/34/51/1432183451.db2.gz QMZDFNVXMLMJKO-BLLLJJGKSA-N 1 0 392.374 3.185 20 5 GGBDRO CCC(CC)[C@@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)[NH+]1CCCC1 ZINC000189630045 1432185115 /nfs/dbraw/zinc/18/51/15/1432185115.db2.gz VZRHZUNUTWOKQX-QGZVFWFLSA-N 1 0 383.514 3.311 20 5 GGBDRO CC(C)[N@H+](C)Cc1ccccc1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000189680770 1432202150 /nfs/dbraw/zinc/20/21/50/1432202150.db2.gz FXBRDBFRWJORNV-UHFFFAOYSA-N 1 0 391.493 3.451 20 5 GGBDRO CC[C@](C)(O)C[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000189727916 1432216976 /nfs/dbraw/zinc/21/69/76/1432216976.db2.gz PLGNHCOTFLJUPU-NRFANRHFSA-N 1 0 385.464 3.221 20 5 GGBDRO Cn1cc(C[NH2+]CC[C@](C)(O)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000189846197 1432251723 /nfs/dbraw/zinc/25/17/23/1432251723.db2.gz NBRDFHHSQBVYBE-NRFANRHFSA-N 1 0 380.448 3.383 20 5 GGBDRO C[C@@H](CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)[N@H+](C)Cc1ccccc1 ZINC000189900607 1432267404 /nfs/dbraw/zinc/26/74/04/1432267404.db2.gz IJYKPAPYZSAIRU-HNNXBMFYSA-N 1 0 391.493 3.321 20 5 GGBDRO CCOC(=O)[C@](C)(C[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000189982528 1432298531 /nfs/dbraw/zinc/29/85/31/1432298531.db2.gz LEMDUSSTJZIRLY-YCRPNKLZSA-N 1 0 399.447 3.032 20 5 GGBDRO CCOC(=O)[C@@](C)(C[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000189982545 1432298664 /nfs/dbraw/zinc/29/86/64/1432298664.db2.gz LEMDUSSTJZIRLY-VFNWGFHPSA-N 1 0 399.447 3.032 20 5 GGBDRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2ccccc2F)cc([N+](=O)[O-])c1C ZINC000190037265 1432308773 /nfs/dbraw/zinc/30/87/73/1432308773.db2.gz ZVSBUOVDTHAMJH-UHFFFAOYSA-N 1 0 389.427 3.255 20 5 GGBDRO COc1cc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc([N+](=O)[O-])c1C ZINC000190107861 1432321150 /nfs/dbraw/zinc/32/11/50/1432321150.db2.gz MRQAEPNSTBUDER-GJZGRUSLSA-N 1 0 375.469 3.295 20 5 GGBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000190121791 1432323521 /nfs/dbraw/zinc/32/35/21/1432323521.db2.gz BEBBIBLKRXYECG-HZPDHXFCSA-N 1 0 395.525 3.143 20 5 GGBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000190121825 1432323592 /nfs/dbraw/zinc/32/35/92/1432323592.db2.gz BEBBIBLKRXYECG-CVEARBPZSA-N 1 0 395.525 3.143 20 5 GGBDRO COC(=O)c1cnc(NCc2ccc(C[NH+]3CCCCC3)cc2)c([N+](=O)[O-])c1 ZINC000190165262 1432331607 /nfs/dbraw/zinc/33/16/07/1432331607.db2.gz XGGFNVPQAKSUSE-UHFFFAOYSA-N 1 0 384.436 3.374 20 5 GGBDRO COC(=O)c1cnc(NCC2CC[NH+](Cc3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000190170816 1432332972 /nfs/dbraw/zinc/33/29/72/1432332972.db2.gz ALRQWEQOIFMAKA-UHFFFAOYSA-N 1 0 390.465 3.162 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000190330210 1432362681 /nfs/dbraw/zinc/36/26/81/1432362681.db2.gz NVIFPODOIIADBC-UHFFFAOYSA-N 1 0 396.447 3.119 20 5 GGBDRO COc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc([N+](=O)[O-])c1C ZINC000190366443 1432367837 /nfs/dbraw/zinc/36/78/37/1432367837.db2.gz UWSBTJXRWDCWHC-UHFFFAOYSA-N 1 0 383.448 3.306 20 5 GGBDRO C[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000190383606 1432371143 /nfs/dbraw/zinc/37/11/43/1432371143.db2.gz SVGCQKMVIOEQFP-UHFFFAOYSA-N 1 0 393.440 3.023 20 5 GGBDRO COc1cc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)cc([N+](=O)[O-])c1C ZINC000190489876 1432391137 /nfs/dbraw/zinc/39/11/37/1432391137.db2.gz CELDFQPAUJBUTM-UHFFFAOYSA-N 1 0 375.469 3.296 20 5 GGBDRO CC[NH+](CC)Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000190569366 1432409606 /nfs/dbraw/zinc/40/96/06/1432409606.db2.gz HJCYHVCNEBUENM-UHFFFAOYSA-N 1 0 387.436 3.463 20 5 GGBDRO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000190580179 1432412066 /nfs/dbraw/zinc/41/20/66/1432412066.db2.gz XGWPOAKQOPLVCX-OAHLLOKOSA-N 1 0 398.463 3.194 20 5 GGBDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000190957132 1432537698 /nfs/dbraw/zinc/53/76/98/1432537698.db2.gz JEECJYUNRCZDIC-UHFFFAOYSA-N 1 0 382.464 3.161 20 5 GGBDRO CC[NH+](CC)Cc1ccc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000191054597 1432558484 /nfs/dbraw/zinc/55/84/84/1432558484.db2.gz SLAAJIIMXLPXSJ-UHFFFAOYSA-N 1 0 393.465 3.246 20 5 GGBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000191379451 1432646509 /nfs/dbraw/zinc/64/65/09/1432646509.db2.gz GTKKXFLTQYKEEX-DLBZAZTESA-N 1 0 379.457 3.115 20 5 GGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000191399753 1432653636 /nfs/dbraw/zinc/65/36/36/1432653636.db2.gz CMEBKPMFXANATP-UHFFFAOYSA-N 1 0 390.484 3.320 20 5 GGBDRO COC[C@@H](Cc1ccccc1)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000191478577 1432668606 /nfs/dbraw/zinc/66/86/06/1432668606.db2.gz CZFBDNYDTNKZIZ-LJQANCHMSA-N 1 0 385.464 3.421 20 5 GGBDRO CCCn1ccnc1CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000191491014 1432671314 /nfs/dbraw/zinc/67/13/14/1432671314.db2.gz PXQNHLPVLUORLR-MRXNPFEDSA-N 1 0 387.484 3.401 20 5 GGBDRO CCn1nccc1N1CCC[C@@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1=O ZINC000191641724 1432698616 /nfs/dbraw/zinc/69/86/16/1432698616.db2.gz RUCCBVGZRQSEEV-QGZVFWFLSA-N 1 0 385.468 3.220 20 5 GGBDRO Cc1cc(C)c(S(=O)(=O)N(CC(F)(F)F)c2ccncc2)cc1[N+](=O)[O-] ZINC000191916355 1432755367 /nfs/dbraw/zinc/75/53/67/1432755367.db2.gz QTCCOWCNNVHAMK-UHFFFAOYSA-N 1 0 389.355 3.364 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191936418 1432760193 /nfs/dbraw/zinc/76/01/93/1432760193.db2.gz LYHOGGIWSHCMQX-LJQANCHMSA-N 1 0 398.463 3.316 20 5 GGBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192111716 1432799900 /nfs/dbraw/zinc/79/99/00/1432799900.db2.gz WLXCBPBOGGTIJT-LIXBPZJASA-N 1 0 391.374 3.320 20 5 GGBDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000192118068 1432800678 /nfs/dbraw/zinc/80/06/78/1432800678.db2.gz RHTLRSDHMDYPKB-FJNPEDAXSA-N 1 0 391.374 3.320 20 5 GGBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000192118056 1432800761 /nfs/dbraw/zinc/80/07/61/1432800761.db2.gz RHTLRSDHMDYPKB-UZCIPKQKSA-N 1 0 391.374 3.320 20 5 GGBDRO O=C(CC[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000192140087 1432805678 /nfs/dbraw/zinc/80/56/78/1432805678.db2.gz KFOMFEHHXXHLEP-LPHOPBHVSA-N 1 0 391.374 3.321 20 5 GGBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H]2CCCc3c(O)cccc32)c([N+](=O)[O-])c1 ZINC000192360217 1432836793 /nfs/dbraw/zinc/83/67/93/1432836793.db2.gz UNAMLOYPTJMQHN-MLGOLLRUSA-N 1 0 385.420 3.303 20 5 GGBDRO COc1cccc(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000192484430 1432849929 /nfs/dbraw/zinc/84/99/29/1432849929.db2.gz AFEHRMRXGPZNRU-UHFFFAOYSA-N 1 0 397.475 3.384 20 5 GGBDRO O=C(c1cc2ccccc2c2cccnc12)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000192507136 1432852527 /nfs/dbraw/zinc/85/25/27/1432852527.db2.gz LHPZFGNMXUSISE-UHFFFAOYSA-N 1 0 388.515 3.242 20 5 GGBDRO CCCCN(C(=O)c1[nH]nc(CC)c1[N+](=O)[O-])C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000192521023 1432854240 /nfs/dbraw/zinc/85/42/40/1432854240.db2.gz ZTUDMHVHWZEPKE-UHFFFAOYSA-N 1 0 379.505 3.432 20 5 GGBDRO COc1cccc([C@H](C)N2CCN(C(=O)c3cccc(OC)c3[N+](=O)[O-])CC2)c1 ZINC000192523259 1432854623 /nfs/dbraw/zinc/85/46/23/1432854623.db2.gz OUUHDUKXRUETCF-HNNXBMFYSA-N 1 0 399.447 3.131 20 5 GGBDRO CCc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000192600454 1432864557 /nfs/dbraw/zinc/86/45/57/1432864557.db2.gz BTJTWHJRCSDLOX-GDBMZVCRSA-N 1 0 385.468 3.005 20 5 GGBDRO CCc1n[nH]c(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000192600471 1432864575 /nfs/dbraw/zinc/86/45/75/1432864575.db2.gz BTJTWHJRCSDLOX-ZBFHGGJFSA-N 1 0 385.468 3.005 20 5 GGBDRO CN(C)C(=O)COc1cccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192695009 1432876448 /nfs/dbraw/zinc/87/64/48/1432876448.db2.gz PJWQHBYXZAOFRI-HXUWFJFHSA-N 1 0 383.448 3.229 20 5 GGBDRO CN(C)C(=O)COc1cccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192695022 1432876454 /nfs/dbraw/zinc/87/64/54/1432876454.db2.gz PJWQHBYXZAOFRI-FQEVSTJZSA-N 1 0 383.448 3.229 20 5 GGBDRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192719347 1432879534 /nfs/dbraw/zinc/87/95/34/1432879534.db2.gz SZGWBKLFSCXQNK-LJQANCHMSA-N 1 0 389.477 3.012 20 5 GGBDRO CCc1n[nH]c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192777856 1432889299 /nfs/dbraw/zinc/88/92/99/1432889299.db2.gz PGNCLHXQLUBTAV-SJLPKXTDSA-N 1 0 397.479 3.007 20 5 GGBDRO C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000192865776 1432900643 /nfs/dbraw/zinc/90/06/43/1432900643.db2.gz JVAYPUSDIALLMX-LRDDRELGSA-N 1 0 397.884 3.218 20 5 GGBDRO COc1cccc([C@H](CNC(=O)c2c(C)cccc2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000192917228 1432907197 /nfs/dbraw/zinc/90/71/97/1432907197.db2.gz HKMUODJLVGZOEC-IBGZPJMESA-N 1 0 383.448 3.479 20 5 GGBDRO O=C(NC1CC1)c1ccc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000192955481 1432912837 /nfs/dbraw/zinc/91/28/37/1432912837.db2.gz XAGZGGPIMXEAMB-KRWDZBQOSA-N 1 0 394.475 3.421 20 5 GGBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC1CC[NH+](CCc2ccccc2)CC1 ZINC000193191769 1432954649 /nfs/dbraw/zinc/95/46/49/1432954649.db2.gz WHUDILDVEZFWRD-UHFFFAOYSA-N 1 0 396.491 3.220 20 5 GGBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000193266777 1432971455 /nfs/dbraw/zinc/97/14/55/1432971455.db2.gz MXMGJFJILHCMCW-UHFFFAOYSA-N 1 0 396.491 3.443 20 5 GGBDRO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193316201 1432978027 /nfs/dbraw/zinc/97/80/27/1432978027.db2.gz KHPHWFMQTIMXMZ-OAHLLOKOSA-N 1 0 384.354 3.485 20 5 GGBDRO C[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193315167 1432978104 /nfs/dbraw/zinc/97/81/04/1432978104.db2.gz PVXNGPDESRZDJQ-CQSZACIVSA-N 1 0 382.363 3.068 20 5 GGBDRO Cc1cc(N2CCC[C@H](c3nc(N(C)C)no3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000193506028 1433010870 /nfs/dbraw/zinc/01/08/70/1433010870.db2.gz FELFJHBTUFOQNU-ZDUSSCGKSA-N 1 0 382.424 3.284 20 5 GGBDRO C[C@@H]([NH2+]C1(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CCCC1)c1ccccc1 ZINC000193569923 1433021385 /nfs/dbraw/zinc/02/13/85/1433021385.db2.gz VKURCLDCNUALCO-CQSZACIVSA-N 1 0 384.436 3.089 20 5 GGBDRO C[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000193798635 1433061930 /nfs/dbraw/zinc/06/19/30/1433061930.db2.gz DPOICAHTPMGWOZ-NVXWUHKLSA-N 1 0 385.439 3.476 20 5 GGBDRO COc1cc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1C ZINC000193801214 1433062696 /nfs/dbraw/zinc/06/26/96/1433062696.db2.gz VRCTUMHZQURVHA-QGZVFWFLSA-N 1 0 383.448 3.164 20 5 GGBDRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000193814375 1433065355 /nfs/dbraw/zinc/06/53/55/1433065355.db2.gz WLPHUPMMEFVENH-UHFFFAOYSA-N 1 0 398.463 3.034 20 5 GGBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000193829864 1433068402 /nfs/dbraw/zinc/06/84/02/1433068402.db2.gz RZXWXBCLOLSOHT-SFHVURJKSA-N 1 0 383.448 3.317 20 5 GGBDRO O=C1CCc2cc([N+](=O)[O-])c(NCCC[N@@H+]3CCc4ccccc4C3)cc2N1 ZINC000193851436 1433073069 /nfs/dbraw/zinc/07/30/69/1433073069.db2.gz GOJVNEQRRJJRLY-UHFFFAOYSA-N 1 0 380.448 3.340 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193880437 1433077477 /nfs/dbraw/zinc/07/74/77/1433077477.db2.gz WPXAQJQEKOOHSK-INIZCTEOSA-N 1 0 384.436 3.247 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193880454 1433077499 /nfs/dbraw/zinc/07/74/99/1433077499.db2.gz WPXAQJQEKOOHSK-MRXNPFEDSA-N 1 0 384.436 3.247 20 5 GGBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000193929756 1433086799 /nfs/dbraw/zinc/08/67/99/1433086799.db2.gz HONHYAKUJCWSDI-QGZVFWFLSA-N 1 0 383.448 3.388 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000193949507 1433090718 /nfs/dbraw/zinc/09/07/18/1433090718.db2.gz XCGQPYRGHIPNBV-UHFFFAOYSA-N 1 0 398.463 3.021 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000193952639 1433091335 /nfs/dbraw/zinc/09/13/35/1433091335.db2.gz LLVNASYLXOAYRL-LJQANCHMSA-N 1 0 398.463 3.240 20 5 GGBDRO O=C(Nc1ccccc1O)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000193957020 1433092113 /nfs/dbraw/zinc/09/21/13/1433092113.db2.gz QQOKNWDRKBEJNK-UHFFFAOYSA-N 1 0 385.420 3.030 20 5 GGBDRO CSc1ccc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000193962714 1433092917 /nfs/dbraw/zinc/09/29/17/1433092917.db2.gz LXDRUNMDPJMDOX-UHFFFAOYSA-N 1 0 386.477 3.106 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000194028151 1433103763 /nfs/dbraw/zinc/10/37/63/1433103763.db2.gz KQCLPQWOICJXSU-LJQANCHMSA-N 1 0 398.463 3.182 20 5 GGBDRO COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000194055790 1433108923 /nfs/dbraw/zinc/10/89/23/1433108923.db2.gz XORROKAXRUUPGF-KBPBESRZSA-N 1 0 385.420 3.368 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000194399549 1433172267 /nfs/dbraw/zinc/17/22/67/1433172267.db2.gz QYPRGYWFMBWJAJ-CALCHBBNSA-N 1 0 397.475 3.442 20 5 GGBDRO C[C@H](NC(=O)NCc1cccc(OCC[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000194431456 1433176907 /nfs/dbraw/zinc/17/69/07/1433176907.db2.gz PVURIXLHZJSEFG-HNNXBMFYSA-N 1 0 386.452 3.096 20 5 GGBDRO CC[N@H+](CCNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])C1CC1 ZINC000194561077 1433197605 /nfs/dbraw/zinc/19/76/05/1433197605.db2.gz BZEIOONQACKVGV-UHFFFAOYSA-N 1 0 383.448 3.388 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000194653568 1433211690 /nfs/dbraw/zinc/21/16/90/1433211690.db2.gz WBYYZKXZISXRHY-KRWDZBQOSA-N 1 0 383.448 3.132 20 5 GGBDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000194661262 1433212614 /nfs/dbraw/zinc/21/26/14/1433212614.db2.gz RVEYSCIFNNNLCS-UHFFFAOYSA-N 1 0 398.463 3.227 20 5 GGBDRO C[C@H](NC(=O)NCc1ccccc1OCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000194677398 1433214346 /nfs/dbraw/zinc/21/43/46/1433214346.db2.gz NIYALZCRJQKSOO-HNNXBMFYSA-N 1 0 386.452 3.096 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000194697226 1433216839 /nfs/dbraw/zinc/21/68/39/1433216839.db2.gz WQZGQKHCCKYGCP-UHFFFAOYSA-N 1 0 377.510 3.385 20 5 GGBDRO COc1cccc(C(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000194699891 1433217216 /nfs/dbraw/zinc/21/72/16/1433217216.db2.gz CPUUKQNOITXEFV-HZPDHXFCSA-N 1 0 397.475 3.490 20 5 GGBDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000194858570 1433250155 /nfs/dbraw/zinc/25/01/55/1433250155.db2.gz CRLRHOWZEZSQMN-IBGZPJMESA-N 1 0 388.424 3.056 20 5 GGBDRO Cc1cc(N2CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000195123859 1433295665 /nfs/dbraw/zinc/29/56/65/1433295665.db2.gz BDTDKGKOISZGEL-UHFFFAOYSA-N 1 0 390.528 3.355 20 5 GGBDRO Cc1ccc(Sc2ccc(C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)cc2[N+](=O)[O-])cc1 ZINC000195231905 1433310127 /nfs/dbraw/zinc/31/01/27/1433310127.db2.gz KXMFXKUHNCPEHF-IYBDPMFKSA-N 1 0 383.473 3.346 20 5 GGBDRO COCc1cc([N+](=O)[O-])ccc1NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000195271415 1433314179 /nfs/dbraw/zinc/31/41/79/1433314179.db2.gz CNLINPCGLXDMJW-FQEVSTJZSA-N 1 0 385.464 3.310 20 5 GGBDRO COc1cccc([C@H](CNC(=O)c2cccc(OC)c2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000195321697 1433318943 /nfs/dbraw/zinc/31/89/43/1433318943.db2.gz IFNFUJWEBBLXIJ-SFHVURJKSA-N 1 0 399.447 3.179 20 5 GGBDRO Cc1c(C(=O)NCc2cccc(C[NH+](C)C)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000195343499 1433321244 /nfs/dbraw/zinc/32/12/44/1433321244.db2.gz FOBLFAZGXZPOIC-UHFFFAOYSA-N 1 0 386.408 3.111 20 5 GGBDRO O=C(C1CC[NH+](C2CC2)CC1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000195351896 1433321702 /nfs/dbraw/zinc/32/17/02/1433321702.db2.gz WAWBQIHNTUFCIS-UHFFFAOYSA-N 1 0 385.386 3.360 20 5 GGBDRO COc1cc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000195488307 1433336049 /nfs/dbraw/zinc/33/60/49/1433336049.db2.gz SJKYXCNPBLBVNC-UHFFFAOYSA-N 1 0 383.448 3.245 20 5 GGBDRO Cc1cccc(N2CC[NH+](CCCCNc3ncc([N+](=O)[O-])s3)CC2)c1 ZINC000195508413 1433337771 /nfs/dbraw/zinc/33/77/71/1433337771.db2.gz JFASQXVSVQCXMT-UHFFFAOYSA-N 1 0 375.498 3.374 20 5 GGBDRO O=[N+]([O-])c1cnc(NCCCC[NH+]2CCN(Cc3ccccc3)CC2)s1 ZINC000195509707 1433337788 /nfs/dbraw/zinc/33/77/88/1433337788.db2.gz DCXCRAKWRYNUFG-UHFFFAOYSA-N 1 0 375.498 3.061 20 5 GGBDRO O=C(CCC1CCCC1)N1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000195718812 1433345544 /nfs/dbraw/zinc/34/55/44/1433345544.db2.gz LMZMWHMTOKUFBK-UHFFFAOYSA-N 1 0 375.469 3.088 20 5 GGBDRO O=[N+]([O-])c1ccc(OCCN2CCN(c3ncc(Cl)cc3Cl)CC2)cc1 ZINC000195718822 1433345701 /nfs/dbraw/zinc/34/57/01/1433345701.db2.gz NOEJNGJDCNWPFL-UHFFFAOYSA-N 1 0 397.262 3.498 20 5 GGBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000198978442 1433352538 /nfs/dbraw/zinc/35/25/38/1433352538.db2.gz FQTVFDCYXMPFNO-UHFFFAOYSA-N 1 0 382.464 3.131 20 5 GGBDRO C[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[N@@H+]1CCC[C@@H](C)C1 ZINC000227828636 1433370605 /nfs/dbraw/zinc/37/06/05/1433370605.db2.gz RIMZDRFGFUKEPI-VXGBXAGGSA-N 1 0 386.399 3.438 20 5 GGBDRO CC(=O)Nc1ccc(CC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000236597305 1433374621 /nfs/dbraw/zinc/37/46/21/1433374621.db2.gz OGUCKJBRIJGECZ-UHFFFAOYSA-N 1 0 393.447 3.286 20 5 GGBDRO Cc1ccc(C[NH2+]Cc2ccccc2CS(=O)(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000236718311 1433376974 /nfs/dbraw/zinc/37/69/74/1433376974.db2.gz WYWWSVGJCAOLRJ-UHFFFAOYSA-N 1 0 391.493 3.021 20 5 GGBDRO CCC(CC)(C[NH3+])NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000236738634 1433377487 /nfs/dbraw/zinc/37/74/87/1433377487.db2.gz KCYGAXVHWSDQOF-UHFFFAOYSA-N 1 0 376.379 3.049 20 5 GGBDRO CCOc1cc(C(=O)NCC[NH2+]C2CCCCCC2)c([N+](=O)[O-])cc1OC ZINC000236891017 1433382235 /nfs/dbraw/zinc/38/22/35/1433382235.db2.gz ZNURXMASUUGIAX-UHFFFAOYSA-N 1 0 379.457 3.044 20 5 GGBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000237138955 1433390597 /nfs/dbraw/zinc/39/05/97/1433390597.db2.gz MXEWTQGTNCQGTE-ZDUSSCGKSA-N 1 0 392.506 3.335 20 5 GGBDRO CN(C)C(=O)CCC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000237141004 1433390723 /nfs/dbraw/zinc/39/07/23/1433390723.db2.gz TWEQRQOQZNFJTR-UHFFFAOYSA-N 1 0 375.400 3.484 20 5 GGBDRO COc1cc(C[NH2+]CCn2cccn2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237207529 1433392462 /nfs/dbraw/zinc/39/24/62/1433392462.db2.gz BSBFIFOFQRHBOQ-UHFFFAOYSA-N 1 0 382.420 3.169 20 5 GGBDRO COc1ccc(CSCC(=O)NCC[NH2+]C2CCCCCC2)cc1[N+](=O)[O-] ZINC000237215361 1433392729 /nfs/dbraw/zinc/39/27/29/1433392729.db2.gz ZZEGWXWGWCBEJB-UHFFFAOYSA-N 1 0 395.525 3.265 20 5 GGBDRO COc1cc(C[NH2+]C[C@H]2CCCCO2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237275790 1433395468 /nfs/dbraw/zinc/39/54/68/1433395468.db2.gz INDSNMQSFKZUBV-GFCCVEGCSA-N 1 0 378.347 3.203 20 5 GGBDRO COc1cc(C[NH2+]C[C@H]2CCCN2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237278383 1433395485 /nfs/dbraw/zinc/39/54/85/1433395485.db2.gz DYBWWTXCBIOSFW-LJQANCHMSA-N 1 0 385.464 3.366 20 5 GGBDRO COc1cc(C[NH2+]C[C@H]2CCCOC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237278887 1433395752 /nfs/dbraw/zinc/39/57/52/1433395752.db2.gz PTIVCGAOZMNTEH-LLVKDONJSA-N 1 0 378.347 3.061 20 5 GGBDRO COc1ccc(-c2ccc(C[NH2+]CCNC(=O)C(C)(C)C)o2)c([N+](=O)[O-])c1 ZINC000237287824 1433395990 /nfs/dbraw/zinc/39/59/90/1433395990.db2.gz AORCTCQKCCSWEF-UHFFFAOYSA-N 1 0 375.425 3.115 20 5 GGBDRO CSc1ccc(C(=O)c2ccccc2C(=O)NC[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000237382560 1433399857 /nfs/dbraw/zinc/39/98/57/1433399857.db2.gz WHRJFMRFUBHSIR-MRXNPFEDSA-N 1 0 399.472 3.015 20 5 GGBDRO CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000237382806 1433399919 /nfs/dbraw/zinc/39/99/19/1433399919.db2.gz XDUTWHDDHZZRSV-CQSZACIVSA-N 1 0 399.472 3.030 20 5 GGBDRO COc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000237449416 1433403596 /nfs/dbraw/zinc/40/35/96/1433403596.db2.gz INVUKYITDVBXKK-UHFFFAOYSA-N 1 0 382.420 3.302 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000237455033 1433404000 /nfs/dbraw/zinc/40/40/00/1433404000.db2.gz BYMFNKXRVJVQCK-UHFFFAOYSA-N 1 0 385.420 3.207 20 5 GGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000237462737 1433404223 /nfs/dbraw/zinc/40/42/23/1433404223.db2.gz XKKNNBNVTQFGCN-IAGOWNOFSA-N 1 0 385.512 3.453 20 5 GGBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000237498296 1433406702 /nfs/dbraw/zinc/40/67/02/1433406702.db2.gz AKFJCDLMENVZRJ-ZJUUUORDSA-N 1 0 398.250 3.039 20 5 GGBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000237503419 1433407077 /nfs/dbraw/zinc/40/70/77/1433407077.db2.gz VWZHYYZZLYHMSO-UIBIWLFHSA-N 1 0 388.512 3.277 20 5 GGBDRO C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000237516193 1433407357 /nfs/dbraw/zinc/40/73/57/1433407357.db2.gz WBPLZQPKYRLNIO-VFADXPBXSA-N 1 0 389.477 3.209 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N3CC[C@H]([NH3+])C[C@@H]3C)cc2[N+](=O)[O-])n1 ZINC000237523554 1433408091 /nfs/dbraw/zinc/40/80/91/1433408091.db2.gz LRWNENGZNQXFRV-AAEUAGOBSA-N 1 0 392.506 3.463 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N3C[C@H](C)[NH2+]C[C@H]3C)cc2[N+](=O)[O-])n1 ZINC000237564365 1433409959 /nfs/dbraw/zinc/40/99/59/1433409959.db2.gz BCLNKRZKBZGJSK-CMPLNLGQSA-N 1 0 392.506 3.333 20 5 GGBDRO Cc1cccc(C)c1NC(=O)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237634627 1433414262 /nfs/dbraw/zinc/41/42/62/1433414262.db2.gz FKMCXTMPUGWAJU-UHFFFAOYSA-N 1 0 393.447 3.340 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N3CCCC[C@H]3C[NH3+])cc2[N+](=O)[O-])n1 ZINC000237648519 1433414986 /nfs/dbraw/zinc/41/49/86/1433414986.db2.gz QKJQXDBSGODOCY-ZDUSSCGKSA-N 1 0 392.506 3.464 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N3CCCC[C@@H]3C[NH3+])cc2[N+](=O)[O-])n1 ZINC000237648483 1433415011 /nfs/dbraw/zinc/41/50/11/1433415011.db2.gz QKJQXDBSGODOCY-CYBMUJFWSA-N 1 0 392.506 3.464 20 5 GGBDRO C[C@H](CN1CCOCC1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237668992 1433415834 /nfs/dbraw/zinc/41/58/34/1433415834.db2.gz RSBJNAIQZAFKNW-CYBMUJFWSA-N 1 0 379.844 3.319 20 5 GGBDRO O=C1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000237750788 1433421359 /nfs/dbraw/zinc/42/13/59/1433421359.db2.gz FLDKQVKRKQHRNQ-INIZCTEOSA-N 1 0 395.337 3.389 20 5 GGBDRO Cc1nc2ccccc2n1CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237769920 1433422870 /nfs/dbraw/zinc/42/28/70/1433422870.db2.gz RWALVYMXICHINE-UHFFFAOYSA-N 1 0 390.447 3.443 20 5 GGBDRO [NH3+]CC1(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CCCC1 ZINC000237792072 1433424053 /nfs/dbraw/zinc/42/40/53/1433424053.db2.gz AEUGBUUFKHPYTD-UHFFFAOYSA-N 1 0 398.250 3.089 20 5 GGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCS(=O)(=O)C2)ccc1Oc1ccc(F)cc1 ZINC000237881557 1433431109 /nfs/dbraw/zinc/43/11/09/1433431109.db2.gz OKJLTRFIIYPOOK-CQSZACIVSA-N 1 0 394.424 3.051 20 5 GGBDRO O=C(NCC[NH2+]C1CC1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000237884620 1433431475 /nfs/dbraw/zinc/43/14/75/1433431475.db2.gz APZRGMUCMCCDBB-UHFFFAOYSA-N 1 0 388.855 3.342 20 5 GGBDRO Cc1cccc(C(=O)Nc2cccc(C(=O)OC3CC[NH2+]CC3)c2)c1[N+](=O)[O-] ZINC000237920612 1433434662 /nfs/dbraw/zinc/43/46/62/1433434662.db2.gz FUNYKJCLAVNKTN-UHFFFAOYSA-N 1 0 383.404 3.064 20 5 GGBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000237926954 1433435399 /nfs/dbraw/zinc/43/53/99/1433435399.db2.gz GCXILWHNLJTFRX-ZWKOTPCHSA-N 1 0 382.464 3.454 20 5 GGBDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000237968853 1433437459 /nfs/dbraw/zinc/43/74/59/1433437459.db2.gz SVOGRERSMWQECJ-HNNXBMFYSA-N 1 0 388.855 3.424 20 5 GGBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000237989533 1433438313 /nfs/dbraw/zinc/43/83/13/1433438313.db2.gz GCXILWHNLJTFRX-MSOLQXFVSA-N 1 0 382.464 3.454 20 5 GGBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(O)CCOCC2)ccc1Oc1ccc(F)cc1 ZINC000238142755 1433444357 /nfs/dbraw/zinc/44/43/57/1433444357.db2.gz PHSVJNIPCHADKL-UHFFFAOYSA-N 1 0 376.384 3.157 20 5 GGBDRO CCC[N@H+](C)C[C@@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000245413038 1433463223 /nfs/dbraw/zinc/46/32/23/1433463223.db2.gz BBSOHGQOJLZVDV-KGLIPLIRSA-N 1 0 382.892 3.239 20 5 GGBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000245426072 1433465800 /nfs/dbraw/zinc/46/58/00/1433465800.db2.gz FPRZUGREWPWMDL-AAEUAGOBSA-N 1 0 384.383 3.287 20 5 GGBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000245441149 1433468453 /nfs/dbraw/zinc/46/84/53/1433468453.db2.gz HCCKQTRPLFCOLP-ZIAGYGMSSA-N 1 0 382.892 3.381 20 5 GGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000245454036 1433470846 /nfs/dbraw/zinc/47/08/46/1433470846.db2.gz RPRCNYTYNSXJIZ-SJLPKXTDSA-N 1 0 383.448 3.461 20 5 GGBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000245741085 1433509361 /nfs/dbraw/zinc/50/93/61/1433509361.db2.gz RNJQSIKICKURPN-PKOBYXMFSA-N 1 0 394.475 3.304 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCCO[C@H]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000245836762 1433524168 /nfs/dbraw/zinc/52/41/68/1433524168.db2.gz BJTBIOTWXUXLBJ-GJYPPUQNSA-N 1 0 377.485 3.265 20 5 GGBDRO CC[N@H+](C[C@H](O)c1ccc(C)cc1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000245897661 1433537387 /nfs/dbraw/zinc/53/73/87/1433537387.db2.gz STILKUFTWCYCDI-PMACEKPBSA-N 1 0 383.448 3.064 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246169691 1433577357 /nfs/dbraw/zinc/57/73/57/1433577357.db2.gz PNWWVMXGZWAPDB-GUYCJALGSA-N 1 0 383.876 3.115 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246367557 1433601870 /nfs/dbraw/zinc/60/18/70/1433601870.db2.gz LLJNJOLSCIWFGD-QZTJIDSGSA-N 1 0 388.512 3.428 20 5 GGBDRO COc1ccccc1C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000246368810 1433602126 /nfs/dbraw/zinc/60/21/26/1433602126.db2.gz YDSFJLPYPDKWKZ-WOJBJXKFSA-N 1 0 386.448 3.318 20 5 GGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)c1 ZINC000246378592 1433603407 /nfs/dbraw/zinc/60/34/07/1433603407.db2.gz ZIGLMIYXPXMUIE-WOJBJXKFSA-N 1 0 382.416 3.457 20 5 GGBDRO CCOc1ccc([C@H](C)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000246403271 1433607668 /nfs/dbraw/zinc/60/76/68/1433607668.db2.gz LXBWOEHWMBTYAU-ZAAXVRCTSA-N 1 0 391.512 3.412 20 5 GGBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000246403918 1433607936 /nfs/dbraw/zinc/60/79/36/1433607936.db2.gz RASWRODRBIWTGB-LAUBAEHRSA-N 1 0 396.491 3.467 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@@H](C)C1 ZINC000246692385 1433650743 /nfs/dbraw/zinc/65/07/43/1433650743.db2.gz DFDYMZWKXZKTTM-HOCLYGCPSA-N 1 0 390.484 3.028 20 5 GGBDRO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)[C@H]2C1 ZINC000246737971 1433657796 /nfs/dbraw/zinc/65/77/96/1433657796.db2.gz ODBMIAQUXYWRET-SQNIBIBYSA-N 1 0 387.436 3.061 20 5 GGBDRO C[C@H]([NH3+])C1CCN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000246741533 1433658610 /nfs/dbraw/zinc/65/86/10/1433658610.db2.gz GTYIQCFHGVPSCZ-XHSDSOJGSA-N 1 0 388.512 3.277 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246752117 1433660440 /nfs/dbraw/zinc/66/04/40/1433660440.db2.gz JLFBYTMWEZCTKB-DZGCQCFKSA-N 1 0 383.876 3.115 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246796883 1433668289 /nfs/dbraw/zinc/66/82/89/1433668289.db2.gz MPSZZWWAEFVIDN-OXJNMPFZSA-N 1 0 386.496 3.181 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246816852 1433673473 /nfs/dbraw/zinc/67/34/73/1433673473.db2.gz OMMSDZCEEXIQPU-XJKSGUPXSA-N 1 0 383.876 3.115 20 5 GGBDRO Cc1nn(CN2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000246924316 1433687854 /nfs/dbraw/zinc/68/78/54/1433687854.db2.gz GWNWQIUEOYCHQR-PMACEKPBSA-N 1 0 383.496 3.352 20 5 GGBDRO Cc1nn(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000246924329 1433687859 /nfs/dbraw/zinc/68/78/59/1433687859.db2.gz GWNWQIUEOYCHQR-VQTJNVASSA-N 1 0 383.496 3.352 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000247207682 1433690952 /nfs/dbraw/zinc/69/09/52/1433690952.db2.gz UVQNLDWLKZEJQF-ROUUACIJSA-N 1 0 398.511 3.397 20 5 GGBDRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000247504791 1433730641 /nfs/dbraw/zinc/73/06/41/1433730641.db2.gz MAIPCPNCXFTMMN-CTNGQTDRSA-N 1 0 385.464 3.238 20 5 GGBDRO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000247687868 1433746687 /nfs/dbraw/zinc/74/66/87/1433746687.db2.gz VIJGAICWTCSZFW-WBMJQRKESA-N 1 0 386.374 3.254 20 5 GGBDRO COc1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000247930292 1433757282 /nfs/dbraw/zinc/75/72/82/1433757282.db2.gz BZHCNLFGVAOBSA-TZMCWYRMSA-N 1 0 385.411 3.121 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000247959646 1433759098 /nfs/dbraw/zinc/75/90/98/1433759098.db2.gz DXTBPCWDIKJEJQ-MRXNPFEDSA-N 1 0 376.482 3.268 20 5 GGBDRO C[NH+](C)[C@@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000248010342 1433763020 /nfs/dbraw/zinc/76/30/20/1433763020.db2.gz PFPNASWKQUJQAU-GOSISDBHSA-N 1 0 382.464 3.072 20 5 GGBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000248015488 1433763475 /nfs/dbraw/zinc/76/34/75/1433763475.db2.gz SJLLPGBNVQMVMG-ROUUACIJSA-N 1 0 391.515 3.391 20 5 GGBDRO C[NH+](C)[C@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000248010345 1433763509 /nfs/dbraw/zinc/76/35/09/1433763509.db2.gz PFPNASWKQUJQAU-SFHVURJKSA-N 1 0 382.464 3.072 20 5 GGBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)CC[C@H]21 ZINC000248179101 1433777746 /nfs/dbraw/zinc/77/77/46/1433777746.db2.gz WCFSFRJNFOGHJU-WMLDXEAASA-N 1 0 386.477 3.275 20 5 GGBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@H]21 ZINC000248199931 1433780232 /nfs/dbraw/zinc/78/02/32/1433780232.db2.gz YISQQSYARDEXQU-WMLDXEAASA-N 1 0 386.477 3.275 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000248373968 1433788945 /nfs/dbraw/zinc/78/89/45/1433788945.db2.gz MWHXDWKPTOTUMX-JKSUJKDBSA-N 1 0 392.477 3.077 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000248374854 1433789716 /nfs/dbraw/zinc/78/97/16/1433789716.db2.gz UORUJLIVLQPWPC-RTBURBONSA-N 1 0 386.448 3.016 20 5 GGBDRO CN(C(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000248385727 1433792079 /nfs/dbraw/zinc/79/20/79/1433792079.db2.gz JSXXWYIAXQPPOR-VQTJNVASSA-N 1 0 388.512 3.004 20 5 GGBDRO CCc1nc(C)c([C@H](C)[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000248439182 1433802824 /nfs/dbraw/zinc/80/28/24/1433802824.db2.gz CFZIDWHFRWPEKV-UONOGXRCSA-N 1 0 379.482 3.355 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000248591446 1433810052 /nfs/dbraw/zinc/81/00/52/1433810052.db2.gz HFTYKAXEGNRMKM-FASAQXTFSA-N 1 0 397.431 3.205 20 5 GGBDRO C[N@@H+]1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccccc1 ZINC000248628248 1433812451 /nfs/dbraw/zinc/81/24/51/1433812451.db2.gz QMNUCOAVUUNCNS-QZTJIDSGSA-N 1 0 388.855 3.493 20 5 GGBDRO COc1ccc(NC(=O)[C@H](C)N2CC[C@@]3(C2)OCc2ccccc23)c([N+](=O)[O-])c1 ZINC000248683143 1433815160 /nfs/dbraw/zinc/81/51/60/1433815160.db2.gz GJGPSGYFGLSNKT-QKKBWIMNSA-N 1 0 397.431 3.062 20 5 GGBDRO CCc1n[nH]c(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000248736808 1433818775 /nfs/dbraw/zinc/81/87/75/1433818775.db2.gz BTJTWHJRCSDLOX-HOCLYGCPSA-N 1 0 385.468 3.005 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000248820244 1433823889 /nfs/dbraw/zinc/82/38/89/1433823889.db2.gz LGYYYXNCDQSWFV-YVEFUNNKSA-N 1 0 375.375 3.123 20 5 GGBDRO C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000248950566 1433830457 /nfs/dbraw/zinc/83/04/57/1433830457.db2.gz ZUAUONFKPWUGDK-QEEYODRMSA-N 1 0 385.439 3.474 20 5 GGBDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000249021883 1433832430 /nfs/dbraw/zinc/83/24/30/1433832430.db2.gz KXVNPTCWQYCVJR-PDSMFRHLSA-N 1 0 391.374 3.320 20 5 GGBDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000249139800 1433837087 /nfs/dbraw/zinc/83/70/87/1433837087.db2.gz XQILRWSSLRIHCA-BEFAXECRSA-N 1 0 386.448 3.385 20 5 GGBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c1 ZINC000249264162 1433839793 /nfs/dbraw/zinc/83/97/93/1433839793.db2.gz IIDXOTTZCRXIRW-UNEWFSDZSA-N 1 0 398.385 3.097 20 5 GGBDRO COc1ccc(CSCC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000249742651 1433850690 /nfs/dbraw/zinc/85/06/90/1433850690.db2.gz JUUZFYFDHMTFIZ-LSDHHAIUSA-N 1 0 395.525 3.073 20 5 GGBDRO COc1cc(CN2CC[C@@H](O)[C@@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000250080147 1433854279 /nfs/dbraw/zinc/85/42/79/1433854279.db2.gz OZPIXMBTKRCKGV-HNAYVOBHSA-N 1 0 386.448 3.385 20 5 GGBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000252656553 1433863897 /nfs/dbraw/zinc/86/38/97/1433863897.db2.gz HUKIQODKVYRJKI-BBWFWOEESA-N 1 0 388.512 3.149 20 5 GGBDRO C[NH2+][C@H](C)CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000261631927 1433897833 /nfs/dbraw/zinc/89/78/33/1433897833.db2.gz CKCNQWFGDBSGMW-LLVKDONJSA-N 1 0 393.827 3.387 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000261659426 1433898252 /nfs/dbraw/zinc/89/82/52/1433898252.db2.gz BXXMGMIIFFROEL-VYDXJSESSA-N 1 0 397.479 3.362 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000261659424 1433898360 /nfs/dbraw/zinc/89/83/60/1433898360.db2.gz BXXMGMIIFFROEL-HLLBOEOZSA-N 1 0 397.479 3.362 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000261667354 1433898500 /nfs/dbraw/zinc/89/85/00/1433898500.db2.gz ITYRAJOTQNPFNZ-SFHVURJKSA-N 1 0 388.855 3.142 20 5 GGBDRO CCc1ccc([C@H]2C[NH2+]CCN2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000261686486 1433899033 /nfs/dbraw/zinc/89/90/33/1433899033.db2.gz ISZJMAWZXQCRNR-LJQANCHMSA-N 1 0 393.447 3.354 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000261713573 1433899777 /nfs/dbraw/zinc/89/97/77/1433899777.db2.gz MSZOJBYPFKWAGV-GOSISDBHSA-N 1 0 388.855 3.142 20 5 GGBDRO [NH3+]C1(c2noc(-c3ccn(-c4c(Cl)cc([N+](=O)[O-])cc4Cl)n3)n2)CCC1 ZINC000261728854 1433900152 /nfs/dbraw/zinc/90/01/52/1433900152.db2.gz KARMPMPGXWCTSS-UHFFFAOYSA-N 1 0 395.206 3.475 20 5 GGBDRO COc1cc(CN2CC[C@](C)(C[NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000261739273 1433900591 /nfs/dbraw/zinc/90/05/91/1433900591.db2.gz KKSGQDGBCIPNJA-OAQYLSRUSA-N 1 0 385.464 3.353 20 5 GGBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261754680 1433901547 /nfs/dbraw/zinc/90/15/47/1433901547.db2.gz PPSJEJXGFAMPGJ-NSHDSACASA-N 1 0 375.425 3.499 20 5 GGBDRO CCc1ccc([C@@H]2C[NH2+]CCN2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000261771524 1433902984 /nfs/dbraw/zinc/90/29/84/1433902984.db2.gz OUFRDNQDOHOBIP-IBGZPJMESA-N 1 0 393.447 3.354 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000261773961 1433903062 /nfs/dbraw/zinc/90/30/62/1433903062.db2.gz PAOHWFGYZFUIBL-GOSISDBHSA-N 1 0 388.855 3.142 20 5 GGBDRO Cc1nn(Cc2ccc(-c3nc(C4([NH3+])CCCC4)no3)cc2)c(C)c1[N+](=O)[O-] ZINC000261883234 1433909517 /nfs/dbraw/zinc/90/95/17/1433909517.db2.gz WRFPOHRHLBGYAP-UHFFFAOYSA-N 1 0 382.424 3.234 20 5 GGBDRO COc1ccc(CN2CC[C@@](C)(C[NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000261918115 1433912489 /nfs/dbraw/zinc/91/24/89/1433912489.db2.gz YIUBMAAESQKDGW-NRFANRHFSA-N 1 0 385.464 3.353 20 5 GGBDRO COc1ccc(-c2ccc(CN3CC[NH2+]C[C@@H]3c3ccncc3)o2)c([N+](=O)[O-])c1 ZINC000261949850 1433915605 /nfs/dbraw/zinc/91/56/05/1433915605.db2.gz FUDLFPBYJFWYSA-HXUWFJFHSA-N 1 0 394.431 3.405 20 5 GGBDRO C[NH2+][C@H]1CCCN(Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000261988070 1433919522 /nfs/dbraw/zinc/91/95/22/1433919522.db2.gz JYWIMKMGUPSTQS-SFHVURJKSA-N 1 0 385.464 3.366 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@](C)(C[NH3+])C2)cc1 ZINC000262004851 1433921345 /nfs/dbraw/zinc/92/13/45/1433921345.db2.gz NTSRIEYXRKRLQJ-HXUWFJFHSA-N 1 0 385.420 3.207 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000262179399 1433929749 /nfs/dbraw/zinc/92/97/49/1433929749.db2.gz IMLWPBLEMAODSW-KRWDZBQOSA-N 1 0 388.855 3.142 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CC[NH2+]C[C@@H]3c3ccccc3Cl)n2)c1 ZINC000262315441 1433934567 /nfs/dbraw/zinc/93/45/67/1433934567.db2.gz ZRIPQLAAJGSIAM-QGZVFWFLSA-N 1 0 399.838 3.445 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCC[C@@H]2CC[NH2+]C2)cc1 ZINC000262580040 1433944535 /nfs/dbraw/zinc/94/45/35/1433944535.db2.gz NLJGOVQIGINEHB-AWEZNQCLSA-N 1 0 385.420 3.125 20 5 GGBDRO [NH3+][C@H](CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000262581181 1433944696 /nfs/dbraw/zinc/94/46/96/1433944696.db2.gz MBOKCGVTSDLOSM-CQSZACIVSA-N 1 0 396.369 3.232 20 5 GGBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)CC(C)(C)C[NH3+])cc2[N+](=O)[O-])C1 ZINC000262589901 1433945071 /nfs/dbraw/zinc/94/50/71/1433945071.db2.gz RXIDFFMGAIOWEP-GASCZTMLSA-N 1 0 376.501 3.134 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000262588295 1433945072 /nfs/dbraw/zinc/94/50/72/1433945072.db2.gz PYVJEELOXJYAOL-QRTARXTBSA-N 1 0 383.452 3.020 20 5 GGBDRO CCCC[C@@H](C[NH3+])NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000262593683 1433945343 /nfs/dbraw/zinc/94/53/43/1433945343.db2.gz HGOYPJZQCSEUMP-HOCLYGCPSA-N 1 0 385.468 3.410 20 5 GGBDRO CCC(CC)(C[NH3+])NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000262594566 1433945424 /nfs/dbraw/zinc/94/54/24/1433945424.db2.gz HETKDQRDFROTMI-CQSZACIVSA-N 1 0 385.468 3.410 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)NCC[C@@H]3CC[NH2+]C3)cc2[N+](=O)[O-])n1 ZINC000262604686 1433945795 /nfs/dbraw/zinc/94/57/95/1433945795.db2.gz YTPSZBREVOIBNI-LBPRGKRZSA-N 1 0 392.506 3.240 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N[C@H]3CC[NH2+]C[C@@H]3C)cc2[N+](=O)[O-])n1 ZINC000262720216 1433952244 /nfs/dbraw/zinc/95/22/44/1433952244.db2.gz FMEGXLRKQVWPIE-GWCFXTLKSA-N 1 0 392.506 3.239 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc1[N+](=O)[O-])c1ccccn1 ZINC000262845993 1433960849 /nfs/dbraw/zinc/96/08/49/1433960849.db2.gz YLCMRCDAMTYNAJ-KEYYUXOJSA-N 1 0 383.452 3.033 20 5 GGBDRO O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262871861 1433962952 /nfs/dbraw/zinc/96/29/52/1433962952.db2.gz DBMYYZQSPRGUSW-GOSISDBHSA-N 1 0 385.489 3.370 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000262906046 1433965689 /nfs/dbraw/zinc/96/56/89/1433965689.db2.gz QERRNRPYACAHBK-YCPHGPKFSA-N 1 0 383.452 3.033 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N[C@H]3CC[NH2+][C@@H](C)C3)cc2[N+](=O)[O-])n1 ZINC000262912659 1433966474 /nfs/dbraw/zinc/96/64/74/1433966474.db2.gz QVHCBLMBWJARHM-GWCFXTLKSA-N 1 0 392.506 3.381 20 5 GGBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc2c(c1)OCCO2 ZINC000263666586 1434017703 /nfs/dbraw/zinc/01/77/03/1434017703.db2.gz IVKKGDABIJNUBI-KRWDZBQOSA-N 1 0 386.404 3.473 20 5 GGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c2c(c1)COCO2 ZINC000263731467 1434026579 /nfs/dbraw/zinc/02/65/79/1434026579.db2.gz YFVYSNNYJHBPFA-HXUWFJFHSA-N 1 0 398.415 3.473 20 5 GGBDRO COc1ccc(OC)c(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000263808220 1434036338 /nfs/dbraw/zinc/03/63/38/1434036338.db2.gz LXMXONKKSSSGMK-UHFFFAOYSA-N 1 0 382.420 3.302 20 5 GGBDRO CC(C)[NH+]1CCC(Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)CC1 ZINC000263811217 1434036669 /nfs/dbraw/zinc/03/66/69/1434036669.db2.gz NJIYPHCAODEGAM-UHFFFAOYSA-N 1 0 391.859 3.079 20 5 GGBDRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000263848816 1434041462 /nfs/dbraw/zinc/04/14/62/1434041462.db2.gz YBMVMJBDSJIVIM-OKILXGFUSA-N 1 0 395.887 3.210 20 5 GGBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CC(=O)N3C)cccc1[N+](=O)[O-] ZINC000263986259 1434057732 /nfs/dbraw/zinc/05/77/32/1434057732.db2.gz ICWZLMMGORSLSL-KBPBESRZSA-N 1 0 396.447 3.100 20 5 GGBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc3c(c2)CC(=O)N3C)cccc1[N+](=O)[O-] ZINC000263986262 1434057761 /nfs/dbraw/zinc/05/77/61/1434057761.db2.gz ICWZLMMGORSLSL-KGLIPLIRSA-N 1 0 396.447 3.100 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1SC ZINC000264071418 1434068978 /nfs/dbraw/zinc/06/89/78/1434068978.db2.gz DYIAOICJOKEPLL-CQSZACIVSA-N 1 0 395.506 3.420 20 5 GGBDRO COc1cc(C(=O)NCCCCCCC[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000264142559 1434075363 /nfs/dbraw/zinc/07/53/63/1434075363.db2.gz GKEWIGVJGCWLPZ-UHFFFAOYSA-N 1 0 393.484 3.388 20 5 GGBDRO Cn1cc(C2CC[NH+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)cn1 ZINC000264147948 1434075825 /nfs/dbraw/zinc/07/58/25/1434075825.db2.gz CPMFRYAGGVXKLC-UHFFFAOYSA-N 1 0 381.436 3.405 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1SC ZINC000264168704 1434077847 /nfs/dbraw/zinc/07/78/47/1434077847.db2.gz PAXRSZLGGQXTHS-QWHCGFSZSA-N 1 0 381.498 3.176 20 5 GGBDRO C[N@H+](CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CCCC1 ZINC000264188809 1434079817 /nfs/dbraw/zinc/07/98/17/1434079817.db2.gz OCEMZUSEVJEYID-UHFFFAOYSA-N 1 0 377.488 3.145 20 5 GGBDRO O=[N+]([O-])c1ccc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c([N+](=O)[O-])c1 ZINC000264209674 1434082634 /nfs/dbraw/zinc/08/26/34/1434082634.db2.gz FTOJOHWHGNJMFQ-UHFFFAOYSA-N 1 0 386.408 3.072 20 5 GGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264546335 1434126412 /nfs/dbraw/zinc/12/64/12/1434126412.db2.gz BXFGWFZRQPIDLT-UKRRQHHQSA-N 1 0 380.876 3.135 20 5 GGBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000264726433 1434148702 /nfs/dbraw/zinc/14/87/02/1434148702.db2.gz HKAQHUKOXCBPKS-UHFFFAOYSA-N 1 0 399.447 3.136 20 5 GGBDRO COc1ccc(C[N@H+](C)C2CCN(C(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000264950751 1434166972 /nfs/dbraw/zinc/16/69/72/1434166972.db2.gz LCUSCYVBZSASRC-UHFFFAOYSA-N 1 0 383.448 3.340 20 5 GGBDRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000264961983 1434168281 /nfs/dbraw/zinc/16/82/81/1434168281.db2.gz ZTCMSIJZBDQUFW-HUUCEWRRSA-N 1 0 385.468 3.233 20 5 GGBDRO C[NH+](C)CCC1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000265378040 1434226651 /nfs/dbraw/zinc/22/66/51/1434226651.db2.gz PULXJZWTRWSWFR-UHFFFAOYSA-N 1 0 383.876 3.207 20 5 GGBDRO Cn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000265386367 1434227575 /nfs/dbraw/zinc/22/75/75/1434227575.db2.gz DXKSGKNEGLPYGU-SECBINFHSA-N 1 0 387.387 3.360 20 5 GGBDRO CC(C)n1c(Sc2nc3sccn3c2[N+](=O)[O-])nnc1C1CC[NH2+]CC1 ZINC000265471721 1434237260 /nfs/dbraw/zinc/23/72/60/1434237260.db2.gz PQKSMJICMHCIEN-UHFFFAOYSA-N 1 0 393.498 3.095 20 5 GGBDRO Cc1cc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000265485560 1434238647 /nfs/dbraw/zinc/23/86/47/1434238647.db2.gz IYUCWYDWVOIIPV-INIZCTEOSA-N 1 0 397.479 3.273 20 5 GGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c2ccncc21 ZINC000265755989 1434262885 /nfs/dbraw/zinc/26/28/85/1434262885.db2.gz DUNIYYZUSVDABZ-PXNSSMCTSA-N 1 0 392.459 3.438 20 5 GGBDRO CC(C)(C(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000265801177 1434266401 /nfs/dbraw/zinc/26/64/01/1434266401.db2.gz NKBNRSPQDUIWCA-UHFFFAOYSA-N 1 0 382.464 3.048 20 5 GGBDRO COc1cc(C[NH2+]C[C@@H](C)C[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000265840451 1434270984 /nfs/dbraw/zinc/27/09/84/1434270984.db2.gz GGTVDYUXQPWWSH-WDEREUQCSA-N 1 0 380.363 3.041 20 5 GGBDRO O=C(Nc1ccc(O)cc1)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000265977702 1434291200 /nfs/dbraw/zinc/29/12/00/1434291200.db2.gz CSQHWAYTFMWRLA-UHFFFAOYSA-N 1 0 385.420 3.030 20 5 GGBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000266202594 1434310426 /nfs/dbraw/zinc/31/04/26/1434310426.db2.gz HUYISMLKTOWBJT-KRWDZBQOSA-N 1 0 386.496 3.143 20 5 GGBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000266202596 1434310436 /nfs/dbraw/zinc/31/04/36/1434310436.db2.gz HUYISMLKTOWBJT-QGZVFWFLSA-N 1 0 386.496 3.143 20 5 GGBDRO O=[N+]([O-])c1cnc(NCc2ccccc2C[NH+]2CCC(O)CC2)c(Cl)c1 ZINC000266215498 1434311036 /nfs/dbraw/zinc/31/10/36/1434311036.db2.gz GYIVPAURBDQNRU-UHFFFAOYSA-N 1 0 376.844 3.212 20 5 GGBDRO COc1cc(C[NH2+]CC(C)(C)CCO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000266269891 1434315010 /nfs/dbraw/zinc/31/50/10/1434315010.db2.gz BNGWOWYCWIOOHN-UHFFFAOYSA-N 1 0 380.363 3.043 20 5 GGBDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000266280050 1434315858 /nfs/dbraw/zinc/31/58/58/1434315858.db2.gz FYNUQMXHSBVLDB-SGMGOOAPSA-N 1 0 390.465 3.060 20 5 GGBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000266315840 1434319385 /nfs/dbraw/zinc/31/93/85/1434319385.db2.gz QNZLKDCTWOGBGN-QGZVFWFLSA-N 1 0 388.512 3.389 20 5 GGBDRO COCc1cc([N+](=O)[O-])ccc1NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000266995584 1434397182 /nfs/dbraw/zinc/39/71/82/1434397182.db2.gz WUBSKSNBGNXAKU-UHFFFAOYSA-N 1 0 385.464 3.310 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000267322907 1434422879 /nfs/dbraw/zinc/42/28/79/1434422879.db2.gz FVYCZQRTWVADPP-UHFFFAOYSA-N 1 0 390.484 3.004 20 5 GGBDRO C[NH+](C)CCOc1ccc(CCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1 ZINC000267343742 1434424525 /nfs/dbraw/zinc/42/45/25/1434424525.db2.gz DDAUZFIUNNYBBV-UHFFFAOYSA-N 1 0 391.855 3.161 20 5 GGBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000267459107 1434435821 /nfs/dbraw/zinc/43/58/21/1434435821.db2.gz VPWQZMDIMPCEER-UHFFFAOYSA-N 1 0 396.491 3.443 20 5 GGBDRO C[NH+](C)Cc1ccsc1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000268074704 1434492991 /nfs/dbraw/zinc/49/29/91/1434492991.db2.gz DRYIIYXWNDKJTG-UHFFFAOYSA-N 1 0 389.477 3.402 20 5 GGBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000268114483 1434495596 /nfs/dbraw/zinc/49/55/96/1434495596.db2.gz HNUSWVUBDBOXNN-OAHLLOKOSA-N 1 0 380.876 3.408 20 5 GGBDRO COc1cc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)ccc1OCCO ZINC000268798419 1434558211 /nfs/dbraw/zinc/55/82/11/1434558211.db2.gz PCGCILUVCDQFIC-GOSISDBHSA-N 1 0 386.448 3.085 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)C1CC1 ZINC000268803035 1434558867 /nfs/dbraw/zinc/55/88/67/1434558867.db2.gz LBHXGYWQOJJVHP-IBGZPJMESA-N 1 0 388.489 3.121 20 5 GGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000268812625 1434560143 /nfs/dbraw/zinc/56/01/43/1434560143.db2.gz OQRUVUGJXDOTEF-MRXNPFEDSA-N 1 0 383.448 3.226 20 5 GGBDRO CC[C@@H]([NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000268828086 1434561916 /nfs/dbraw/zinc/56/19/16/1434561916.db2.gz QDNHLYTWNCSDKF-OAQYLSRUSA-N 1 0 396.491 3.223 20 5 GGBDRO COc1cccc(OC)c1OC[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000268831547 1434562255 /nfs/dbraw/zinc/56/22/55/1434562255.db2.gz KNNXFXRSVAWMPB-HOCLYGCPSA-N 1 0 390.436 3.011 20 5 GGBDRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000268877680 1434567205 /nfs/dbraw/zinc/56/72/05/1434567205.db2.gz ZCHZHFRJBPSXHQ-CYBMUJFWSA-N 1 0 393.465 3.216 20 5 GGBDRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000268877683 1434567245 /nfs/dbraw/zinc/56/72/45/1434567245.db2.gz ZCHZHFRJBPSXHQ-ZDUSSCGKSA-N 1 0 393.465 3.216 20 5 GGBDRO CC(=O)N1CCN(c2ccccc2C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000268897546 1434568780 /nfs/dbraw/zinc/56/87/80/1434568780.db2.gz ZIYXZGOEEMKGOU-QGZVFWFLSA-N 1 0 396.491 3.423 20 5 GGBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc(N2CCCS2(=O)=O)c1 ZINC000268910479 1434570266 /nfs/dbraw/zinc/57/02/66/1434570266.db2.gz FWWOPDMVJIUAGE-OAHLLOKOSA-N 1 0 389.477 3.028 20 5 GGBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc(N2CCCS2(=O)=O)c1 ZINC000268910474 1434570290 /nfs/dbraw/zinc/57/02/90/1434570290.db2.gz FWWOPDMVJIUAGE-HNNXBMFYSA-N 1 0 389.477 3.028 20 5 GGBDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000268917879 1434571006 /nfs/dbraw/zinc/57/10/06/1434571006.db2.gz TVSORLDVGICCPF-YWZLYKJASA-N 1 0 394.475 3.344 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000269133656 1434595978 /nfs/dbraw/zinc/59/59/78/1434595978.db2.gz NYPTYBLMFLECEW-FRFSOERESA-N 1 0 383.452 3.163 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)cc2[N+](=O)[O-])n1 ZINC000269173460 1434601189 /nfs/dbraw/zinc/60/11/89/1434601189.db2.gz AWESXDAMLCMBDF-GXFFZTMASA-N 1 0 392.506 3.320 20 5 GGBDRO COc1cc(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)c([N+](=O)[O-])cc1OC(F)F ZINC000269228142 1434610072 /nfs/dbraw/zinc/61/00/72/1434610072.db2.gz UWMZOYAEQRHYHH-UHFFFAOYSA-N 1 0 393.346 3.103 20 5 GGBDRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)nc2)C1 ZINC000269420188 1434642665 /nfs/dbraw/zinc/64/26/65/1434642665.db2.gz KKHFOAVGWVWDKP-CQSZACIVSA-N 1 0 389.843 3.036 20 5 GGBDRO CC(C)c1n[nH]c(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000269434139 1434645406 /nfs/dbraw/zinc/64/54/06/1434645406.db2.gz CMIZPMFKJJIEKR-INIZCTEOSA-N 1 0 385.468 3.035 20 5 GGBDRO CC(C)c1[nH]nc(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)c1[N+](=O)[O-] ZINC000269457930 1434648613 /nfs/dbraw/zinc/64/86/13/1434648613.db2.gz HFFAPZQORATYAJ-UHFFFAOYSA-N 1 0 384.440 3.210 20 5 GGBDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])nc2)C1 ZINC000269466522 1434650277 /nfs/dbraw/zinc/65/02/77/1434650277.db2.gz XPALHRUFJVISMH-ZDUSSCGKSA-N 1 0 389.843 3.036 20 5 GGBDRO CC(C)c1n[nH]c(C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000269486158 1434652564 /nfs/dbraw/zinc/65/25/64/1434652564.db2.gz KZFGEYQRWNLTOH-UHFFFAOYSA-N 1 0 385.468 3.178 20 5 GGBDRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])nc2)C1 ZINC000269501094 1434654339 /nfs/dbraw/zinc/65/43/39/1434654339.db2.gz FFMRFSFZZCOSEJ-CQSZACIVSA-N 1 0 389.843 3.036 20 5 GGBDRO O=[N+]([O-])c1cc(F)c(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c(F)c1 ZINC000269616340 1434663858 /nfs/dbraw/zinc/66/38/58/1434663858.db2.gz GVBNYIQXBHJLNF-UHFFFAOYSA-N 1 0 377.391 3.442 20 5 GGBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000270040300 1434695631 /nfs/dbraw/zinc/69/56/31/1434695631.db2.gz AGIRBMPXZAWIFJ-GOEBONIOSA-N 1 0 377.510 3.266 20 5 GGBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000270040302 1434695653 /nfs/dbraw/zinc/69/56/53/1434695653.db2.gz AGIRBMPXZAWIFJ-HOCLYGCPSA-N 1 0 377.510 3.266 20 5 GGBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C2)CC1 ZINC000270053488 1434697243 /nfs/dbraw/zinc/69/72/43/1434697243.db2.gz CWFAVLNYUKPHRE-CYBMUJFWSA-N 1 0 385.386 3.418 20 5 GGBDRO C[NH+]1CCC([C@H]2CCN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)C2)CC1 ZINC000270055665 1434697490 /nfs/dbraw/zinc/69/74/90/1434697490.db2.gz DFWGUHWGLFHIEY-AWEZNQCLSA-N 1 0 380.876 3.122 20 5 GGBDRO COc1cc(C[NH2+]CCC[C@H](C)CO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000270324240 1434723419 /nfs/dbraw/zinc/72/34/19/1434723419.db2.gz ZBWPRFPBYPXVBY-NSHDSACASA-N 1 0 380.363 3.043 20 5 GGBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000270536045 1434742325 /nfs/dbraw/zinc/74/23/25/1434742325.db2.gz OZVVYIUZMKMZHE-UHFFFAOYSA-N 1 0 396.491 3.443 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000270687214 1434762042 /nfs/dbraw/zinc/76/20/42/1434762042.db2.gz DPXMNLDKKQTMPL-UHFFFAOYSA-N 1 0 395.525 3.278 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000270707059 1434764599 /nfs/dbraw/zinc/76/45/99/1434764599.db2.gz AUPFPQXSCQGHMC-CQSZACIVSA-N 1 0 383.514 3.039 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000270787991 1434774814 /nfs/dbraw/zinc/77/48/14/1434774814.db2.gz AFVBMVGQYRODCF-OAHLLOKOSA-N 1 0 383.514 3.039 20 5 GGBDRO CC(C)N1CC[NH+](C2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)CC1 ZINC000270846004 1434781150 /nfs/dbraw/zinc/78/11/50/1434781150.db2.gz FYLXNOGTNJYRGF-UHFFFAOYSA-N 1 0 380.920 3.239 20 5 GGBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000270943125 1434789655 /nfs/dbraw/zinc/78/96/55/1434789655.db2.gz CTZPJROXNOVZFD-KRWDZBQOSA-N 1 0 391.515 3.343 20 5 GGBDRO C[NH+](C)CCCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000271017355 1434795981 /nfs/dbraw/zinc/79/59/81/1434795981.db2.gz YIOTVMRDPPQPSB-UHFFFAOYSA-N 1 0 388.512 3.389 20 5 GGBDRO COc1cc(NCc2ccccc2C[NH+]2CCC(O)CC2)c(F)cc1[N+](=O)[O-] ZINC000271100373 1434802047 /nfs/dbraw/zinc/80/20/47/1434802047.db2.gz OZHMCLOPAXVCAJ-UHFFFAOYSA-N 1 0 389.427 3.311 20 5 GGBDRO CCOc1ccc([C@H](C)NCC2([NH+]3CCCC3)CCOCC2)cc1[N+](=O)[O-] ZINC000271199049 1434807624 /nfs/dbraw/zinc/80/76/24/1434807624.db2.gz YYAGDHNIZRDVCJ-INIZCTEOSA-N 1 0 377.485 3.289 20 5 GGBDRO Cc1nn(C)c(C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)c1[N+](=O)[O-] ZINC000271290471 1434813634 /nfs/dbraw/zinc/81/36/34/1434813634.db2.gz RJJAKAPIXBBDSM-UHFFFAOYSA-N 1 0 385.468 3.163 20 5 GGBDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000271328734 1434816502 /nfs/dbraw/zinc/81/65/02/1434816502.db2.gz DYAFQZZTOWBZMI-UHFFFAOYSA-N 1 0 380.404 3.382 20 5 GGBDRO COc1cc(C[NH2+]C[C@@H]2CCO[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000271337296 1434817130 /nfs/dbraw/zinc/81/71/30/1434817130.db2.gz GGLXFFDTASJHMI-VXGBXAGGSA-N 1 0 392.374 3.449 20 5 GGBDRO COc1cc(C[NH2+]C[C@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000271337294 1434817241 /nfs/dbraw/zinc/81/72/41/1434817241.db2.gz GGLXFFDTASJHMI-RYUDHWBXSA-N 1 0 392.374 3.449 20 5 GGBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000271426725 1434823917 /nfs/dbraw/zinc/82/39/17/1434823917.db2.gz CPQJNWXXUQJELJ-OAHLLOKOSA-N 1 0 389.477 3.028 20 5 GGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000271587868 1434837174 /nfs/dbraw/zinc/83/71/74/1434837174.db2.gz XTQMMEWHNPLPSU-QOHXFFFDSA-N 1 0 389.477 3.400 20 5 GGBDRO COc1cc([C@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])cc(OC)c1OC ZINC000271750483 1434847939 /nfs/dbraw/zinc/84/79/39/1434847939.db2.gz KOZGJTRIOGIYRR-ZDUSSCGKSA-N 1 0 376.409 3.350 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000271777529 1434849875 /nfs/dbraw/zinc/84/98/75/1434849875.db2.gz HBLULJLXKMIRQP-CQSZACIVSA-N 1 0 398.419 3.149 20 5 GGBDRO C[C@H]([NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000271784446 1434850441 /nfs/dbraw/zinc/85/04/41/1434850441.db2.gz HLWAXIUZZWAXKJ-VXLFJPSPSA-N 1 0 375.450 3.010 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000271787306 1434850615 /nfs/dbraw/zinc/85/06/15/1434850615.db2.gz IEHYPYHGZILCSV-PWFNWSNSSA-N 1 0 389.477 3.320 20 5 GGBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(N2CCOC2=O)cc1 ZINC000271799914 1434851527 /nfs/dbraw/zinc/85/15/27/1434851527.db2.gz MCUORTUMKAHUGD-CQSZACIVSA-N 1 0 398.419 3.231 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000271803565 1434851704 /nfs/dbraw/zinc/85/17/04/1434851704.db2.gz LTKZNHUENUWMNS-ASHKIFAZSA-N 1 0 389.477 3.320 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000271803569 1434851764 /nfs/dbraw/zinc/85/17/64/1434851764.db2.gz LTKZNHUENUWMNS-PGGUUEOZSA-N 1 0 389.477 3.320 20 5 GGBDRO C[C@H]([NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000271829223 1434853200 /nfs/dbraw/zinc/85/32/00/1434853200.db2.gz QLXKIOQKLIPLJP-MGYFDLHMSA-N 1 0 375.450 3.010 20 5 GGBDRO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCOC2=O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000271848197 1434854476 /nfs/dbraw/zinc/85/44/76/1434854476.db2.gz VZWUKLAJBWEPSF-ZIAGYGMSSA-N 1 0 398.419 3.229 20 5 GGBDRO CCC[C@@H]([NH2+]C[C@](O)(c1nccn1C)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000272000572 1434864923 /nfs/dbraw/zinc/86/49/23/1434864923.db2.gz AHRBNAUHWQGPHF-ZBFHGGJFSA-N 1 0 386.374 3.209 20 5 GGBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272145298 1434874689 /nfs/dbraw/zinc/87/46/89/1434874689.db2.gz FEEYLHGVCKILRT-ZDUSSCGKSA-N 1 0 383.876 3.206 20 5 GGBDRO CC(C)c1n[nH]c(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000272214197 1434878551 /nfs/dbraw/zinc/87/85/51/1434878551.db2.gz AUBWZKUYMPIDPR-ZBFHGGJFSA-N 1 0 385.468 3.082 20 5 GGBDRO Cc1nn(C)c(C(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000272269789 1434883060 /nfs/dbraw/zinc/88/30/60/1434883060.db2.gz RQNQSYDDIOPSDN-WMLDXEAASA-N 1 0 387.484 3.132 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000272330978 1434887751 /nfs/dbraw/zinc/88/77/51/1434887751.db2.gz VNLNOJXHRFKTOA-UONOGXRCSA-N 1 0 385.420 3.205 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272363802 1434890560 /nfs/dbraw/zinc/89/05/60/1434890560.db2.gz SMYSYRBZAQFZAB-WBVHZDCISA-N 1 0 383.448 3.244 20 5 GGBDRO COc1cc(C[NH2+]CC(C)(C)CCCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272422810 1434895299 /nfs/dbraw/zinc/89/52/99/1434895299.db2.gz MDROWZIBCZFQPS-UHFFFAOYSA-N 1 0 376.400 3.136 20 5 GGBDRO CC(C)C[N@@H+]1CCC[C@H](CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272494709 1434900184 /nfs/dbraw/zinc/90/01/84/1434900184.db2.gz FOKRHMSECGXPNW-XLIONFOSSA-N 1 0 385.512 3.375 20 5 GGBDRO COc1cc(C[N@@H+]2CCC3(C2)CCOCC3)c([N+](=O)[O-])cc1OCC(F)F ZINC000272495874 1434900524 /nfs/dbraw/zinc/90/05/24/1434900524.db2.gz VBHQGPCUXVOWIK-UHFFFAOYSA-N 1 0 386.395 3.250 20 5 GGBDRO Cn1ccnc1[C@@H](NC1CC[NH+](C2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272514118 1434902719 /nfs/dbraw/zinc/90/27/19/1434902719.db2.gz JSRBWTLBSJVRSN-FQEVSTJZSA-N 1 0 383.496 3.414 20 5 GGBDRO COc1cc(C[NH2+]CC(C)(C)C[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000272527141 1434904436 /nfs/dbraw/zinc/90/44/36/1434904436.db2.gz YZMWTMRSETVLIE-LLVKDONJSA-N 1 0 376.400 3.134 20 5 GGBDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000272637078 1434918374 /nfs/dbraw/zinc/91/83/74/1434918374.db2.gz LDSBQWFKRJCUMV-GOSISDBHSA-N 1 0 387.411 3.309 20 5 GGBDRO C[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272732679 1434926683 /nfs/dbraw/zinc/92/66/83/1434926683.db2.gz BXOGCAHBQWVBLU-KGLIPLIRSA-N 1 0 381.498 3.063 20 5 GGBDRO Cc1cc(N2CCC([C@H](O)c3nccn3C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272792354 1434931533 /nfs/dbraw/zinc/93/15/33/1434931533.db2.gz CJEFEGCAGKKREY-IBGZPJMESA-N 1 0 381.436 3.135 20 5 GGBDRO COc1ccc(CNC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000272871377 1434937731 /nfs/dbraw/zinc/93/77/31/1434937731.db2.gz WRAHLDFEAPHJRY-GDBMZVCRSA-N 1 0 390.484 3.056 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)NCC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000273026424 1434952033 /nfs/dbraw/zinc/95/20/33/1434952033.db2.gz RHWYYVGVZNPDPX-HNNXBMFYSA-N 1 0 397.479 3.282 20 5 GGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)cc1[N+](=O)[O-] ZINC000273324010 1434980804 /nfs/dbraw/zinc/98/08/04/1434980804.db2.gz ZVEMUQPXIATMFT-CRAIPNDOSA-N 1 0 398.463 3.230 20 5 GGBDRO COc1cc(C[NH2+][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1O ZINC000273510438 1434993608 /nfs/dbraw/zinc/99/36/08/1434993608.db2.gz QRHIMWYHOQMTJK-MAUKXSAKSA-N 1 0 376.384 3.458 20 5 GGBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000273520205 1434994347 /nfs/dbraw/zinc/99/43/47/1434994347.db2.gz QJPMWBQXUINKKE-ZVZYQTTQSA-N 1 0 393.484 3.253 20 5 GGBDRO Cc1nn(CCc2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)c(C)c1[N+](=O)[O-] ZINC000273714042 1435007388 /nfs/dbraw/zinc/00/73/88/1435007388.db2.gz LMSJYYQVOQZGGP-UHFFFAOYSA-N 1 0 396.451 3.297 20 5 GGBDRO COc1cc(C[NH2+][C@@H]2CCO[C@H](C3CC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000274296541 1435058985 /nfs/dbraw/zinc/05/89/85/1435058985.db2.gz RGKNPDZDNMFSLT-HIFRSBDPSA-N 1 0 386.395 3.295 20 5 GGBDRO COCCOCCOCCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000274371851 1435065972 /nfs/dbraw/zinc/06/59/72/1435065972.db2.gz GTRITCPSEDGOKQ-UHFFFAOYSA-N 1 0 378.425 3.014 20 5 GGBDRO COCCOCCOCCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000274391806 1435067438 /nfs/dbraw/zinc/06/74/38/1435067438.db2.gz KUPMUUCILKITLA-UHFFFAOYSA-N 1 0 378.425 3.014 20 5 GGBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000274424472 1435070206 /nfs/dbraw/zinc/07/02/06/1435070206.db2.gz DXDGSEWMFFAIJO-QGZVFWFLSA-N 1 0 377.488 3.144 20 5 GGBDRO COc1cc(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc([N+](=O)[O-])c1OC ZINC000274592613 1435079892 /nfs/dbraw/zinc/07/98/92/1435079892.db2.gz FQNIMDCOLSCGLV-FZKQIMNGSA-N 1 0 387.436 3.033 20 5 GGBDRO C[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccc([S@](C)=O)cc1 ZINC000275628286 1435154180 /nfs/dbraw/zinc/15/41/80/1435154180.db2.gz PRLNDIXXSIWLOV-MUDIAHQHSA-N 1 0 393.440 3.151 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CCn1cncn1)c1ccc(C)cc1 ZINC000275665656 1435158040 /nfs/dbraw/zinc/15/80/40/1435158040.db2.gz BWNNQORQYMYAOU-LJQANCHMSA-N 1 0 381.436 3.425 20 5 GGBDRO C[NH+](C)[C@]1(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCSC1 ZINC000275788402 1435169555 /nfs/dbraw/zinc/16/95/55/1435169555.db2.gz NTIHGMFQIJKHPF-NRFANRHFSA-N 1 0 381.501 3.261 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000275805769 1435171163 /nfs/dbraw/zinc/17/11/63/1435171163.db2.gz UIRKEKDXSUUUEZ-BPUTZDHNSA-N 1 0 383.452 3.163 20 5 GGBDRO COc1ccc(C[NH2+][C@H](CCn2cncn2)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000275847318 1435174271 /nfs/dbraw/zinc/17/42/71/1435174271.db2.gz KJZIFONVBVBMEP-GOSISDBHSA-N 1 0 381.436 3.425 20 5 GGBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](CC2CCCC2)CC1 ZINC000276154844 1435194529 /nfs/dbraw/zinc/19/45/29/1435194529.db2.gz FFWQUADJDLLMNU-UHFFFAOYSA-N 1 0 381.498 3.065 20 5 GGBDRO CC[NH+](CC)Cc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000276282737 1435201886 /nfs/dbraw/zinc/20/18/86/1435201886.db2.gz RYFSBFKUMGNAJE-UHFFFAOYSA-N 1 0 385.420 3.460 20 5 GGBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](C2CCCCC2)CC1 ZINC000276312289 1435204229 /nfs/dbraw/zinc/20/42/29/1435204229.db2.gz OSCQVYCZLTYLSV-UHFFFAOYSA-N 1 0 381.498 3.207 20 5 GGBDRO C[NH+](C)CCc1ccc(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000276360902 1435207065 /nfs/dbraw/zinc/20/70/65/1435207065.db2.gz IYGABISHLWWGLP-UHFFFAOYSA-N 1 0 380.448 3.039 20 5 GGBDRO CC(C)[NH+]1CCN(C2CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)CC1 ZINC000276722606 1435227850 /nfs/dbraw/zinc/22/78/50/1435227850.db2.gz ZQQNNGPYRRJYHQ-UHFFFAOYSA-N 1 0 383.496 3.138 20 5 GGBDRO COC(=O)c1cnc(Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)c([N+](=O)[O-])c1 ZINC000276809431 1435234106 /nfs/dbraw/zinc/23/41/06/1435234106.db2.gz RWNBZAPFRKTXBP-UHFFFAOYSA-N 1 0 399.451 3.050 20 5 GGBDRO CCOc1cc(C[NH+]2CCC(CN3CCCCC3=O)CC2)ccc1[N+](=O)[O-] ZINC000276850177 1435237339 /nfs/dbraw/zinc/23/73/39/1435237339.db2.gz DPDQOOZTYVVPJZ-UHFFFAOYSA-N 1 0 375.469 3.218 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]C1CCN(c2cccnn2)CC1 ZINC000277186599 1435276078 /nfs/dbraw/zinc/27/60/78/1435276078.db2.gz UKGAIQTVGQWQAX-APWZRJJASA-N 1 0 381.480 3.355 20 5 GGBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000277381959 1435300611 /nfs/dbraw/zinc/30/06/11/1435300611.db2.gz WNITVVAILXSJAG-KRWDZBQOSA-N 1 0 388.512 3.387 20 5 GGBDRO Cc1noc(C[C@@H]([NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000277432738 1435304504 /nfs/dbraw/zinc/30/45/04/1435304504.db2.gz QDQFASZJCRIRMR-FZKQIMNGSA-N 1 0 395.419 3.187 20 5 GGBDRO C[C@H]1C[N@H+](CCCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCCO1 ZINC000277581946 1435314227 /nfs/dbraw/zinc/31/42/27/1435314227.db2.gz OPEVJOOSFBMHBQ-INIZCTEOSA-N 1 0 393.487 3.324 20 5 GGBDRO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCCO1 ZINC000277581950 1435314362 /nfs/dbraw/zinc/31/43/62/1435314362.db2.gz OPEVJOOSFBMHBQ-MRXNPFEDSA-N 1 0 393.487 3.324 20 5 GGBDRO CCOC(=O)c1n[nH]c(C2CC[NH+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000277678683 1435321437 /nfs/dbraw/zinc/32/14/37/1435321437.db2.gz GFASCUOIXKYAHB-ZDUSSCGKSA-N 1 0 387.440 3.139 20 5 GGBDRO C[C@H]1C[N@H+](CCCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCO1 ZINC000278005609 1435349536 /nfs/dbraw/zinc/34/95/36/1435349536.db2.gz VMVOTFJSYKNJLA-HNNXBMFYSA-N 1 0 390.509 3.309 20 5 GGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000278202700 1435369135 /nfs/dbraw/zinc/36/91/35/1435369135.db2.gz JIILVOIDWNWFDK-UHFFFAOYSA-N 1 0 398.419 3.240 20 5 GGBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000278343112 1435381859 /nfs/dbraw/zinc/38/18/59/1435381859.db2.gz JELQJLSMQYQEEU-CQSZACIVSA-N 1 0 396.369 3.187 20 5 GGBDRO C[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1=CC[N@H+](C)CC1 ZINC000278767731 1435421790 /nfs/dbraw/zinc/42/17/90/1435421790.db2.gz UGNZEWYRUVVPSI-NSHDSACASA-N 1 0 386.374 3.063 20 5 GGBDRO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+](C)CCCCCO ZINC000278776909 1435422680 /nfs/dbraw/zinc/42/26/80/1435422680.db2.gz CTVZOLGKXBMRMY-ZDUSSCGKSA-N 1 0 392.481 3.140 20 5 GGBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000278864320 1435432943 /nfs/dbraw/zinc/43/29/43/1435432943.db2.gz NLYXLPUUTISJCW-OAHLLOKOSA-N 1 0 389.496 3.218 20 5 GGBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000278864316 1435432970 /nfs/dbraw/zinc/43/29/70/1435432970.db2.gz NLYXLPUUTISJCW-HNNXBMFYSA-N 1 0 389.496 3.218 20 5 GGBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000279095338 1435459872 /nfs/dbraw/zinc/45/98/72/1435459872.db2.gz UHXRWCOZFFLNBQ-LBPRGKRZSA-N 1 0 388.390 3.097 20 5 GGBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000279139813 1435464414 /nfs/dbraw/zinc/46/44/14/1435464414.db2.gz RUJHOWZZPBYYQR-WOJBJXKFSA-N 1 0 394.475 3.493 20 5 GGBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000279399632 1435495291 /nfs/dbraw/zinc/49/52/91/1435495291.db2.gz WJFQYVDTJFLWBZ-ZDUSSCGKSA-N 1 0 383.851 3.264 20 5 GGBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000279564046 1435513615 /nfs/dbraw/zinc/51/36/15/1435513615.db2.gz QLUZVJZHNTURSY-UHFFFAOYSA-N 1 0 397.479 3.213 20 5 GGBDRO CC(C)[NH+]1CCC(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000279782151 1435542089 /nfs/dbraw/zinc/54/20/89/1435542089.db2.gz UGPILAWGLQEKEM-UHFFFAOYSA-N 1 0 388.390 3.286 20 5 GGBDRO C[C@H]1OCC[C@]12C[N@H+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)C[C@@H](C)O2 ZINC000279787402 1435543137 /nfs/dbraw/zinc/54/31/37/1435543137.db2.gz OALHQKCJIIKVJM-SXGZJXTBSA-N 1 0 387.436 3.061 20 5 GGBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)N1CCc2sccc2C1 ZINC000279806022 1435545599 /nfs/dbraw/zinc/54/55/99/1435545599.db2.gz WXTXSZFNFXQHGH-CYBMUJFWSA-N 1 0 389.477 3.232 20 5 GGBDRO C[N@H+]1CC=C(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC000280270382 1435622897 /nfs/dbraw/zinc/62/28/97/1435622897.db2.gz ONHCVSVYDVLUAS-UHFFFAOYSA-N 1 0 381.432 3.166 20 5 GGBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000280296384 1435628781 /nfs/dbraw/zinc/62/87/81/1435628781.db2.gz WVAJUBHDCJXNAC-CYBMUJFWSA-N 1 0 383.851 3.120 20 5 GGBDRO COc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000280617900 1435690546 /nfs/dbraw/zinc/69/05/46/1435690546.db2.gz BITMOMOGBVIMNE-HNNXBMFYSA-N 1 0 391.468 3.139 20 5 GGBDRO CCC(=O)c1ccc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000280757783 1435715440 /nfs/dbraw/zinc/71/54/40/1435715440.db2.gz QHSCDYXHLJOOFB-UHFFFAOYSA-N 1 0 388.512 3.182 20 5 GGBDRO O=c1[nH]c(N[C@@H](C[NH+]2CCCC2)c2ccccc2)nc2ccc([N+](=O)[O-])cc21 ZINC000281064755 1435766656 /nfs/dbraw/zinc/76/66/56/1435766656.db2.gz ZMFHVTWPNVQAHG-SFHVURJKSA-N 1 0 379.420 3.493 20 5 GGBDRO Cc1cc(OCC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000281115149 1435777037 /nfs/dbraw/zinc/77/70/37/1435777037.db2.gz NNJHDFDCQNGWEH-JKSUJKDBSA-N 1 0 375.469 3.051 20 5 GGBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000281172722 1435789101 /nfs/dbraw/zinc/78/91/01/1435789101.db2.gz MVYWCRZGOPJRTI-KRWDZBQOSA-N 1 0 387.436 3.035 20 5 GGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000281561053 1435813513 /nfs/dbraw/zinc/81/35/13/1435813513.db2.gz YFANBBRJZMLRNU-LAVBSDLTSA-N 1 0 375.469 3.183 20 5 GGBDRO CN(CCC[NH+]1CCCC1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000281581175 1435814434 /nfs/dbraw/zinc/81/44/34/1435814434.db2.gz BLCFXSXHKWOTLX-UHFFFAOYSA-N 1 0 377.488 3.099 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)c1 ZINC000282626691 1435854288 /nfs/dbraw/zinc/85/42/88/1435854288.db2.gz JJXZSQUOKFJISR-UHFFFAOYSA-N 1 0 398.463 3.388 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)N2CCc3sccc3C2)c1 ZINC000282632075 1435854340 /nfs/dbraw/zinc/85/43/40/1435854340.db2.gz KALMRDYGBJTRAP-ZDUSSCGKSA-N 1 0 389.477 3.232 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000282995880 1435869377 /nfs/dbraw/zinc/86/93/77/1435869377.db2.gz COVDBTZTPAQYCN-HUUCEWRRSA-N 1 0 375.469 3.376 20 5 GGBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000283084542 1435873702 /nfs/dbraw/zinc/87/37/02/1435873702.db2.gz VWKCZLUEDJNWJL-UHFFFAOYSA-N 1 0 396.491 3.443 20 5 GGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000283228869 1435880318 /nfs/dbraw/zinc/88/03/18/1435880318.db2.gz UAHPITRNWKPMLP-ZDUSSCGKSA-N 1 0 387.411 3.242 20 5 GGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000283228864 1435880327 /nfs/dbraw/zinc/88/03/27/1435880327.db2.gz UAHPITRNWKPMLP-CYBMUJFWSA-N 1 0 387.411 3.242 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000283363733 1435886188 /nfs/dbraw/zinc/88/61/88/1435886188.db2.gz DKIUKPXOTFNSSC-GOSISDBHSA-N 1 0 375.400 3.165 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000283890860 1435945993 /nfs/dbraw/zinc/94/59/93/1435945993.db2.gz IUPHKLVLIHQNRF-UONOGXRCSA-N 1 0 378.448 3.043 20 5 GGBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000284053285 1435981612 /nfs/dbraw/zinc/98/16/12/1435981612.db2.gz PXVJWQGEQXWOLZ-UHFFFAOYSA-N 1 0 389.843 3.429 20 5 GGBDRO CSc1nnc(CCC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)n1CC(C)C ZINC000284204039 1436003816 /nfs/dbraw/zinc/00/38/16/1436003816.db2.gz SIXRTLLHPXSCEU-CYBMUJFWSA-N 1 0 392.529 3.430 20 5 GGBDRO C[C@@H]([NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284217943 1436004796 /nfs/dbraw/zinc/00/47/96/1436004796.db2.gz TVUPSJSYWALLDN-JKSUJKDBSA-N 1 0 384.480 3.249 20 5 GGBDRO CN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000284519705 1436027621 /nfs/dbraw/zinc/02/76/21/1436027621.db2.gz WDBXUBLGKIUKNW-HNNXBMFYSA-N 1 0 386.427 3.053 20 5 GGBDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)cc1 ZINC000284651693 1436037782 /nfs/dbraw/zinc/03/77/82/1436037782.db2.gz FFAPYUGZSLTPQW-AWEZNQCLSA-N 1 0 378.450 3.118 20 5 GGBDRO Cc1c(NC(=O)CCN2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000284672738 1436039057 /nfs/dbraw/zinc/03/90/57/1436039057.db2.gz GKYGLYDTFLSCMY-IBGZPJMESA-N 1 0 396.491 3.091 20 5 GGBDRO [NH3+][C@@]12C[C@@H]1CN(C(F)(F)c1cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c1)C2 ZINC001164416692 718889274 /nfs/dbraw/zinc/88/92/74/718889274.db2.gz FQSMFZXVICCHBS-MLGOLLRUSA-N 1 0 380.782 3.393 20 5 GGBDRO [NH3+][C@]12C[C@H]1CCN(C(F)(F)c1cc(-c3ccc([N+](=O)[O-])cc3)nnc1Cl)C2 ZINC001164422165 718897337 /nfs/dbraw/zinc/89/73/37/718897337.db2.gz UMAJAIWWLZSEMZ-BZNIZROVSA-N 1 0 395.797 3.178 20 5 GGBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2C[C@@H]3[NH2+]Cc4ccccc4[C@@H]3C2)c1 ZINC001164425568 718941913 /nfs/dbraw/zinc/94/19/13/718941913.db2.gz WCPINXAOBKHNRX-ZFWWWQNUSA-N 1 0 380.782 3.264 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCC[C@@H]4[NH2+]C[C@@H]43)c(Cl)nn2)c1 ZINC001164450611 719002709 /nfs/dbraw/zinc/00/27/09/719002709.db2.gz YYICGTGYCIEVRM-ZFWWWQNUSA-N 1 0 395.797 3.191 20 5 GGBDRO Cc1nc(Cl)nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC001164628388 719054489 /nfs/dbraw/zinc/05/44/89/719054489.db2.gz YJMDNHAOHVIFOE-CVEARBPZSA-N 1 0 387.871 3.447 20 5 GGBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164629104 719063078 /nfs/dbraw/zinc/06/30/78/719063078.db2.gz VQCVZRHANGPMEN-JKSUJKDBSA-N 1 0 387.871 3.447 20 5 GGBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164629101 719063605 /nfs/dbraw/zinc/06/36/05/719063605.db2.gz VQCVZRHANGPMEN-CVEARBPZSA-N 1 0 387.871 3.447 20 5 GGBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)cc(C)c1[N+](=O)[O-])C2 ZINC001164811030 720097399 /nfs/dbraw/zinc/09/73/99/720097399.db2.gz NGDVLZJWGNEEKZ-DNVCBOLYSA-N 1 0 394.903 3.136 20 5 GGBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc3cccc([N+](=O)[O-])c3n1)C2 ZINC001164812525 720109427 /nfs/dbraw/zinc/10/94/27/720109427.db2.gz PBPRUDTXPUYGAE-AVRDEDQJSA-N 1 0 396.491 3.328 20 5 GGBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3ccccc3cc1[N+](=O)[O-])C2 ZINC001164815848 720142504 /nfs/dbraw/zinc/14/25/04/720142504.db2.gz WKRXWTOFAQXKEB-XMSQKQJNSA-N 1 0 396.491 3.328 20 5 GGBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc3cc([N+](=O)[O-])ccc31)C2 ZINC001164814168 720198852 /nfs/dbraw/zinc/19/88/52/720198852.db2.gz TYIATTGCPQCMGO-XMSQKQJNSA-N 1 0 396.491 3.328 20 5 GGBDRO O=[N+]([O-])c1cccc2ccc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc21 ZINC001164727764 720375643 /nfs/dbraw/zinc/37/56/43/720375643.db2.gz RJHLVMZPYVMZOB-MSOLQXFVSA-N 1 0 375.432 3.391 20 5 GGBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncc(Cl)cc1[N+](=O)[O-])[C@@H]2C ZINC001164858337 720924868 /nfs/dbraw/zinc/92/48/68/720924868.db2.gz MUJHTNLPNNTARY-GFCCVEGCSA-N 1 0 378.864 3.261 20 5 GGBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nccc(Cl)c1[N+](=O)[O-])[C@H]2C ZINC001164853991 720925688 /nfs/dbraw/zinc/92/56/88/720925688.db2.gz DNBLGHYCVYAKMY-LBPRGKRZSA-N 1 0 378.864 3.261 20 5 GGBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc3[nH]cc([N+](=O)[O-])c3n1)[C@@H]2C ZINC001164862378 720974600 /nfs/dbraw/zinc/97/46/00/720974600.db2.gz SEMWNOXLCVTDOQ-CYBMUJFWSA-N 1 0 383.456 3.089 20 5 GGBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)[C@@H]2C ZINC001164863585 720983135 /nfs/dbraw/zinc/98/31/35/720983135.db2.gz WWODILWKGUJQEU-CYBMUJFWSA-N 1 0 383.456 3.089 20 5 GGBDRO O=[N+]([O-])c1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164899060 721511253 /nfs/dbraw/zinc/51/12/53/721511253.db2.gz JUHSVVUHHLJTLO-ZBFHGGJFSA-N 1 0 392.818 3.124 20 5 GGBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164896283 721512064 /nfs/dbraw/zinc/51/20/64/721512064.db2.gz AMYLWLMBOISGNN-HOCLYGCPSA-N 1 0 392.818 3.124 20 5 GGBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164899711 721513028 /nfs/dbraw/zinc/51/30/28/721513028.db2.gz LUYFGZIRWJPHCR-UKRRQHHQSA-N 1 0 392.818 3.124 20 5 GGBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164901033 721519299 /nfs/dbraw/zinc/51/92/99/721519299.db2.gz WBMIKSOHWDGTAO-UKRRQHHQSA-N 1 0 392.818 3.124 20 5 GGBDRO O=[N+]([O-])c1cc(Cl)cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164905236 721527131 /nfs/dbraw/zinc/52/71/31/721527131.db2.gz HDNTUIXHYNHLTC-GDBMZVCRSA-N 1 0 392.818 3.124 20 5 GGBDRO Cc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001165025420 721800793 /nfs/dbraw/zinc/80/07/93/721800793.db2.gz OCYHFRKWDRXIAU-HQRMLTQVSA-N 1 0 381.480 3.430 20 5 GGBDRO Cc1cnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001165025026 721801185 /nfs/dbraw/zinc/80/11/85/721801185.db2.gz NECKKPJDXWRPSA-WDSOQIARSA-N 1 0 381.480 3.430 20 5 GGBDRO COc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001165026310 721804943 /nfs/dbraw/zinc/80/49/43/721804943.db2.gz QORJOLYBMHSSCZ-JQHSSLGASA-N 1 0 397.479 3.130 20 5 GGBDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc([N+](=O)[O-])ccn2)CC1 ZINC001165023427 721838265 /nfs/dbraw/zinc/83/82/65/721838265.db2.gz XABDYPYIAAKUQM-UHFFFAOYSA-N 1 0 386.452 3.108 20 5 GGBDRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001164934131 721880595 /nfs/dbraw/zinc/88/05/95/721880595.db2.gz PPNLWMPPFUBIGC-IAGOWNOFSA-N 1 0 389.887 3.011 20 5 GGBDRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001164934130 721880711 /nfs/dbraw/zinc/88/07/11/721880711.db2.gz PPNLWMPPFUBIGC-DLBZAZTESA-N 1 0 389.887 3.011 20 5 GGBDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001164929551 721888699 /nfs/dbraw/zinc/88/86/99/721888699.db2.gz BQMQHYSOYKTWGO-HZPDHXFCSA-N 1 0 389.887 3.011 20 5 GGBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc([N+](=O)[O-])ccn4)CC3)C2)cc1 ZINC001164940117 721920961 /nfs/dbraw/zinc/92/09/61/721920961.db2.gz YZWTYFMSIVMUBF-UHFFFAOYSA-N 1 0 382.464 3.170 20 5 GGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)nc1-c1ccc(F)cc1 ZINC000619526963 721925170 /nfs/dbraw/zinc/92/51/70/721925170.db2.gz IVAIOKSCTAOXQP-KRWDZBQOSA-N 1 0 386.427 3.097 20 5 GGBDRO O=[N+]([O-])c1ccc2ccc(N3CC[NH+](CCOc4ccccc4)CC3)nc2c1 ZINC001165043844 721955202 /nfs/dbraw/zinc/95/52/02/721955202.db2.gz DXIUPXSFTCATHQ-UHFFFAOYSA-N 1 0 378.432 3.344 20 5 GGBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC001165048309 721961666 /nfs/dbraw/zinc/96/16/66/721961666.db2.gz YKIOJUACOAOBTE-UHFFFAOYSA-N 1 0 378.432 3.344 20 5 GGBDRO CCOC(=O)c1ccnc(N2CCCC[C@@H]2CC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001165049165 721977840 /nfs/dbraw/zinc/97/78/40/721977840.db2.gz HICJLPNSHPZJPZ-OAHLLOKOSA-N 1 0 376.457 3.011 20 5 GGBDRO COc1cc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)ncc1[N+](=O)[O-] ZINC001164993266 722197728 /nfs/dbraw/zinc/19/77/28/722197728.db2.gz DSARUYFIEHUQPS-HXUWFJFHSA-N 1 0 386.427 3.382 20 5 GGBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824604797 946854902 /nfs/dbraw/zinc/85/49/02/946854902.db2.gz DSEDPTAHKYLNSR-JTQLQIEISA-N 1 0 390.806 3.461 20 5 GGBDRO C[C@@H]1CC[C@H](C(=O)[O-])C[N@@H+]1CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001589306556 953746524 /nfs/dbraw/zinc/74/65/24/953746524.db2.gz YGGRNWQIZKQPIN-APWZRJJASA-N 1 0 389.496 3.034 20 5 GGBDRO C[C@H]1CC[C@H](C(=O)[O-])C[N@@H+]1CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001589306558 953746904 /nfs/dbraw/zinc/74/69/04/953746904.db2.gz YGGRNWQIZKQPIN-LPHOPBHVSA-N 1 0 389.496 3.034 20 5 GGBDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1C ZINC000453633992 1126093563 /nfs/dbraw/zinc/09/35/63/1126093563.db2.gz RBFIDDHIVPWBSO-HXUWFJFHSA-N 1 0 394.475 3.305 20 5 GGBDRO COc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000609707709 1126100648 /nfs/dbraw/zinc/10/06/48/1126100648.db2.gz UPTXYXSILSLWRO-YOEHRIQHSA-N 1 0 384.354 3.228 20 5 GGBDRO O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000073198156 211125923 /nfs/dbraw/zinc/12/59/23/211125923.db2.gz GCCMWEDCWKHMTC-UHFFFAOYSA-N 1 0 379.416 3.029 20 5 GGBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000119504161 564274324 /nfs/dbraw/zinc/27/43/24/564274324.db2.gz FDDYHRLCZXSSNR-LBPRGKRZSA-N 1 0 384.274 3.208 20 5 GGBDRO CC1CC[NH+](CCCCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000119560174 564277373 /nfs/dbraw/zinc/27/73/73/564277373.db2.gz ZGSFCWOXLMGEIK-UHFFFAOYSA-N 1 0 389.905 3.039 20 5 GGBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000120294408 564313668 /nfs/dbraw/zinc/31/36/68/564313668.db2.gz FMAFRDWNQMVVEM-CYBMUJFWSA-N 1 0 379.214 3.448 20 5 GGBDRO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[N@@H+]1CCC[C@H](C)C1 ZINC000120382862 564317855 /nfs/dbraw/zinc/31/78/55/564317855.db2.gz JYJWSZBUSNDNOU-STQMWFEESA-N 1 0 398.301 3.136 20 5 GGBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000120933923 564344427 /nfs/dbraw/zinc/34/44/27/564344427.db2.gz POTIUTAZGOAQJZ-ZDUSSCGKSA-N 1 0 382.258 3.104 20 5 GGBDRO C[N@H+](CCCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000028049714 564359837 /nfs/dbraw/zinc/35/98/37/564359837.db2.gz WDTNJDKFILNCLD-UHFFFAOYSA-N 1 0 389.905 3.181 20 5 GGBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(Br)o1 ZINC000030217589 564377921 /nfs/dbraw/zinc/37/79/21/564377921.db2.gz INOMXFMYJJNQPQ-UHFFFAOYSA-N 1 0 382.214 3.411 20 5 GGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000122792138 564428051 /nfs/dbraw/zinc/42/80/51/564428051.db2.gz YRQVITXOHFGGLY-LBPRGKRZSA-N 1 0 384.274 3.161 20 5 GGBDRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000123639434 564456170 /nfs/dbraw/zinc/45/61/70/564456170.db2.gz MGRLWVASUGOPEF-UHFFFAOYSA-N 1 0 396.285 3.494 20 5 GGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000125856393 564528989 /nfs/dbraw/zinc/52/89/89/564528989.db2.gz DXGKOHABTPWUAA-CYBMUJFWSA-N 1 0 398.301 3.470 20 5 GGBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000125987184 564532916 /nfs/dbraw/zinc/53/29/16/564532916.db2.gz IFMKNVXAWQGACI-QWHCGFSZSA-N 1 0 398.301 3.136 20 5 GGBDRO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C(C1CC1)C1CC1 ZINC000050989584 564560848 /nfs/dbraw/zinc/56/08/48/564560848.db2.gz FVKWMLHGLURIIM-UHFFFAOYSA-N 1 0 382.258 3.416 20 5 GGBDRO Cc1c(Br)cc(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000127119659 564574233 /nfs/dbraw/zinc/57/42/33/564574233.db2.gz GXESDTFPXPPGHJ-CABZTGNLSA-N 1 0 382.258 3.021 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000127914062 564600694 /nfs/dbraw/zinc/60/06/94/564600694.db2.gz PZSBCGUWKPUQTB-WFASDCNBSA-N 1 0 396.285 3.222 20 5 GGBDRO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[NH+]1CCC(C)CC1 ZINC000128547193 564622122 /nfs/dbraw/zinc/62/21/22/564622122.db2.gz XRCACDZWCCALBF-ZDUSSCGKSA-N 1 0 398.301 3.136 20 5 GGBDRO CC[NH+](CC)[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])CC(C)C ZINC000129113444 564639048 /nfs/dbraw/zinc/63/90/48/564639048.db2.gz SIXFFCDAFJBUGZ-GFCCVEGCSA-N 1 0 377.532 3.228 20 5 GGBDRO CC1CC[NH+](CCCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000056066238 564639262 /nfs/dbraw/zinc/63/92/62/564639262.db2.gz ACWPLRMSLJRTRF-UHFFFAOYSA-N 1 0 389.905 3.039 20 5 GGBDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000056996977 564656495 /nfs/dbraw/zinc/65/64/95/564656495.db2.gz FHVSVDDYUMFNEJ-UHFFFAOYSA-N 1 0 396.241 3.154 20 5 GGBDRO C[C@H](CNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000057838153 564675109 /nfs/dbraw/zinc/67/51/09/564675109.db2.gz NGFAOJQOQMPUKE-SNVBAGLBSA-N 1 0 380.798 3.315 20 5 GGBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000064960332 564737464 /nfs/dbraw/zinc/73/74/64/564737464.db2.gz GFGFHSJHULWGAM-LBPRGKRZSA-N 1 0 389.905 3.037 20 5 GGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1c1ccccc1Br ZINC000132534401 564746091 /nfs/dbraw/zinc/74/60/91/564746091.db2.gz MBFSISJKYDIKAK-MRXNPFEDSA-N 1 0 392.253 3.356 20 5 GGBDRO CC(C)(Cc1ccc(Br)cc1)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000132976444 564758767 /nfs/dbraw/zinc/75/87/67/564758767.db2.gz VBOOXAFSCDDKDY-UHFFFAOYSA-N 1 0 394.269 3.130 20 5 GGBDRO O=C(c1cc([N+](=O)[O-])ccc1Br)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150815342 564892179 /nfs/dbraw/zinc/89/21/79/564892179.db2.gz QPEWWUVMCOTMIU-ZDUSSCGKSA-N 1 0 396.285 3.448 20 5 GGBDRO Cn1cc(Br)cc1C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000151444586 564920780 /nfs/dbraw/zinc/92/07/80/564920780.db2.gz IRFOKYZRABKOKW-UHFFFAOYSA-N 1 0 395.257 3.156 20 5 GGBDRO Cn1cc(Br)cc1C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000151555916 564926327 /nfs/dbraw/zinc/92/63/27/564926327.db2.gz XQFMUESXMXLSLZ-UHFFFAOYSA-N 1 0 395.257 3.156 20 5 GGBDRO CC(C)[NH+](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000151650390 564930915 /nfs/dbraw/zinc/93/09/15/564930915.db2.gz WWXBVMSZMUBGJL-UHFFFAOYSA-N 1 0 386.290 3.135 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1cccs1 ZINC000152898094 564976169 /nfs/dbraw/zinc/97/61/69/564976169.db2.gz IKTQJMBBJGMUQU-CYBMUJFWSA-N 1 0 398.282 3.452 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1cccs1 ZINC000152897987 564976411 /nfs/dbraw/zinc/97/64/11/564976411.db2.gz IKTQJMBBJGMUQU-ZDUSSCGKSA-N 1 0 398.282 3.452 20 5 GGBDRO CCC[NH+]1CCC(Nc2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000107808341 565003077 /nfs/dbraw/zinc/00/30/77/565003077.db2.gz FWKKVZLVNZNDHR-UHFFFAOYSA-N 1 0 389.237 3.486 20 5 GGBDRO O=[N+]([O-])c1cc(I)ccc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000107830632 565003086 /nfs/dbraw/zinc/00/30/86/565003086.db2.gz PRJNMKOQANOXOC-NWDGAFQWSA-N 1 0 387.221 3.238 20 5 GGBDRO O=[N+]([O-])c1cc(I)ccc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000107830629 565003255 /nfs/dbraw/zinc/00/32/55/565003255.db2.gz PRJNMKOQANOXOC-VXGBXAGGSA-N 1 0 387.221 3.238 20 5 GGBDRO O=[N+]([O-])c1cc(I)ccc1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000107815955 565003363 /nfs/dbraw/zinc/00/33/63/565003363.db2.gz FGEZAUCQHUKHKW-SNVBAGLBSA-N 1 0 387.221 3.096 20 5 GGBDRO O=[N+]([O-])c1cc(Cl)cnc1Sc1nnc([C@@H]2CCC[NH2+]C2)n1C1CC1 ZINC000153798183 565011570 /nfs/dbraw/zinc/01/15/70/565011570.db2.gz XVQGZZYHGQKXAU-SECBINFHSA-N 1 0 380.861 3.188 20 5 GGBDRO O=[N+]([O-])c1cc(Cl)cnc1Sc1nnc([C@H]2CCC[NH2+]C2)n1C1CC1 ZINC000153798290 565011654 /nfs/dbraw/zinc/01/16/54/565011654.db2.gz XVQGZZYHGQKXAU-VIFPVBQESA-N 1 0 380.861 3.188 20 5 GGBDRO CC(C)n1c(Sc2ncc(Cl)cc2[N+](=O)[O-])nnc1C1CC[NH2+]CC1 ZINC000153798394 565011819 /nfs/dbraw/zinc/01/18/19/565011819.db2.gz UTRKJWWDMPPCNP-UHFFFAOYSA-N 1 0 382.877 3.434 20 5 GGBDRO O=[N+]([O-])c1cc(Br)ccc1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000110456623 565041031 /nfs/dbraw/zinc/04/10/31/565041031.db2.gz UOLOMOKFJDKOEK-UHFFFAOYSA-N 1 0 398.301 3.296 20 5 GGBDRO C[NH+](C)CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CCCC1 ZINC000154581751 565045927 /nfs/dbraw/zinc/04/59/27/565045927.db2.gz DTUFMNIZRIRZPS-UHFFFAOYSA-N 1 0 398.301 3.233 20 5 GGBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000154763349 565051580 /nfs/dbraw/zinc/05/15/80/565051580.db2.gz XLCCIOLXRPKXSK-AWEZNQCLSA-N 1 0 398.301 3.281 20 5 GGBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[NH+](C2CCCCC2)CC1 ZINC000154779775 565052477 /nfs/dbraw/zinc/05/24/77/565052477.db2.gz UQIGRCQIVXQIRQ-UHFFFAOYSA-N 1 0 396.285 3.448 20 5 GGBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000155107085 565061736 /nfs/dbraw/zinc/06/17/36/565061736.db2.gz IDBWKEWZKVNCRJ-NSHDSACASA-N 1 0 385.262 3.163 20 5 GGBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000155194686 565063884 /nfs/dbraw/zinc/06/38/84/565063884.db2.gz QKSCIRXZDDXEIT-RISCZKNCSA-N 1 0 397.273 3.305 20 5 GGBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000183617785 565081926 /nfs/dbraw/zinc/08/19/26/565081926.db2.gz VBGLXWNRGSNQOF-OCCSQVGLSA-N 1 0 383.901 3.283 20 5 GGBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000183617761 565082424 /nfs/dbraw/zinc/08/24/24/565082424.db2.gz VBGLXWNRGSNQOF-JSGCOSHPSA-N 1 0 383.901 3.283 20 5 GGBDRO C[NH+](C)[C@@]1(CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCSC1 ZINC000292040952 565094651 /nfs/dbraw/zinc/09/46/51/565094651.db2.gz XRZNTWDBVAOUIM-CQSZACIVSA-N 1 0 378.281 3.069 20 5 GGBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000267461404 565118564 /nfs/dbraw/zinc/11/85/64/565118564.db2.gz SATYZGDNRHAIBR-UHFFFAOYSA-N 1 0 384.274 3.302 20 5 GGBDRO C[N@H+](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C1CCCC1 ZINC000267905574 565133746 /nfs/dbraw/zinc/13/37/46/565133746.db2.gz APVMIWKCUCVTFN-UHFFFAOYSA-N 1 0 388.237 3.101 20 5 GGBDRO C[C@@H]1C[N@H+](CCCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCCO1 ZINC000293024583 565146517 /nfs/dbraw/zinc/14/65/17/565146517.db2.gz UZTPVLWQQINVFZ-LLVKDONJSA-N 1 0 390.267 3.132 20 5 GGBDRO C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268723861 565165662 /nfs/dbraw/zinc/16/56/62/565165662.db2.gz AEHVCDBJXNRQJN-STQMWFEESA-N 1 0 380.491 3.409 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)c1cccs1 ZINC000158637887 565176760 /nfs/dbraw/zinc/17/67/60/565176760.db2.gz TWGLXRWSWVMQDO-ZDUSSCGKSA-N 1 0 398.282 3.452 20 5 GGBDRO CS(=O)(=O)CCCCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000185205556 565187076 /nfs/dbraw/zinc/18/70/76/565187076.db2.gz BAGATPVEHDMFBX-UHFFFAOYSA-N 1 0 383.495 3.023 20 5 GGBDRO O=C(NCCC[NH+]1CCCCCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000158938278 565188104 /nfs/dbraw/zinc/18/81/04/565188104.db2.gz LZYBRYSRRMOBPA-UHFFFAOYSA-N 1 0 384.274 3.353 20 5 GGBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C2)CC1 ZINC000270077225 565208324 /nfs/dbraw/zinc/20/83/24/565208324.db2.gz HZAFNLJEECCAOA-CYBMUJFWSA-N 1 0 396.285 3.161 20 5 GGBDRO C[NH+]1CCC2(CCCN2C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000371779318 565209199 /nfs/dbraw/zinc/20/91/99/565209199.db2.gz YOFDRCGDXVIVMO-UHFFFAOYSA-N 1 0 383.901 3.427 20 5 GGBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000270099351 565209239 /nfs/dbraw/zinc/20/92/39/565209239.db2.gz LEBMHWDVPDNFAC-CYBMUJFWSA-N 1 0 396.285 3.161 20 5 GGBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C2)CC1 ZINC000270297642 565214360 /nfs/dbraw/zinc/21/43/60/565214360.db2.gz XYNINPAMVFPCTG-CYBMUJFWSA-N 1 0 396.285 3.161 20 5 GGBDRO C[NH+](C)CC1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCCC1 ZINC000185885316 565226614 /nfs/dbraw/zinc/22/66/14/565226614.db2.gz PJQXEPMQPYOUDS-UHFFFAOYSA-N 1 0 398.301 3.138 20 5 GGBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000372210427 565227011 /nfs/dbraw/zinc/22/70/11/565227011.db2.gz GSNLUSMVIHWRRE-GFCCVEGCSA-N 1 0 383.246 3.059 20 5 GGBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000270951290 565233898 /nfs/dbraw/zinc/23/38/98/565233898.db2.gz DWQVZGNZCSBRRL-NSHDSACASA-N 1 0 384.274 3.160 20 5 GGBDRO C[NH+]1CCC2(CCCN2C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000372434111 565239444 /nfs/dbraw/zinc/23/94/44/565239444.db2.gz WEEYVZXWXKAMJX-UHFFFAOYSA-N 1 0 397.273 3.449 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000372935113 565261711 /nfs/dbraw/zinc/26/17/11/565261711.db2.gz PXHGAKQSGXPDKF-ZDUSSCGKSA-N 1 0 384.274 3.222 20 5 GGBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000272168161 565279484 /nfs/dbraw/zinc/27/94/84/565279484.db2.gz IVGUFAYWDUBIOT-LLVKDONJSA-N 1 0 384.274 3.160 20 5 GGBDRO C[NH+]1CCC2(CCCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C2)CC1 ZINC000374113496 565320564 /nfs/dbraw/zinc/32/05/64/565320564.db2.gz HBFDJPQIKCWQJQ-UHFFFAOYSA-N 1 0 396.285 3.305 20 5 GGBDRO Cc1c(Br)cc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000164035832 565354929 /nfs/dbraw/zinc/35/49/29/565354929.db2.gz RFTQJHOWHGUNEZ-UHFFFAOYSA-N 1 0 382.258 3.022 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000375042801 565365444 /nfs/dbraw/zinc/36/54/44/565365444.db2.gz NBPOOJCTDOFKCY-NEPJUHHUSA-N 1 0 382.258 3.022 20 5 GGBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2CCC(C(F)(F)F)CC2)cc1 ZINC000274319157 565366386 /nfs/dbraw/zinc/36/63/86/565366386.db2.gz YLQFFTOHHNRBSP-UHFFFAOYSA-N 1 0 380.388 3.079 20 5 GGBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C2)C1 ZINC000297684760 565382010 /nfs/dbraw/zinc/38/20/10/565382010.db2.gz HBANMBSIHRHAQX-INIZCTEOSA-N 1 0 397.273 3.307 20 5 GGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H](O)c3ccc(Cl)cc3Cl)CC2)n1 ZINC000376477461 565438569 /nfs/dbraw/zinc/43/85/69/565438569.db2.gz LRAUJYDERWVACH-OAHLLOKOSA-N 1 0 385.251 3.469 20 5 GGBDRO CC(C)[C@H](CNc1ccc(Br)cc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000301072459 565462584 /nfs/dbraw/zinc/46/25/84/565462584.db2.gz HAOPVTZQIBHFSC-INIZCTEOSA-N 1 0 385.306 3.041 20 5 GGBDRO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1Br)N1CC[NH+](C)CC1 ZINC000301134066 565465901 /nfs/dbraw/zinc/46/59/01/565465901.db2.gz ZRRXJAVMLQWFSS-MRXNPFEDSA-N 1 0 385.306 3.041 20 5 GGBDRO CCN1CC[NH+](C[C@@H](C)CNc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301158137 565468056 /nfs/dbraw/zinc/46/80/56/565468056.db2.gz OEYVWQJYHLGLJS-ZDUSSCGKSA-N 1 0 385.306 3.043 20 5 GGBDRO CC[NH+](CC)[C@H]1CCN(c2ccc(I)cc2[N+](=O)[O-])C1 ZINC000301453418 565487598 /nfs/dbraw/zinc/48/75/98/565487598.db2.gz GNOYYYJLLOQHQK-LBPRGKRZSA-N 1 0 389.237 3.120 20 5 GGBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3ccccc3Br)CC2)c1 ZINC000189805209 565490169 /nfs/dbraw/zinc/49/01/69/565490169.db2.gz QLDMDCDJLBMMHS-UHFFFAOYSA-N 1 0 379.258 3.433 20 5 GGBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cccc([N+](=O)[O-])c1Br ZINC000277381148 565493354 /nfs/dbraw/zinc/49/33/54/565493354.db2.gz BEAMEFBJFVCEPB-LBPRGKRZSA-N 1 0 382.258 3.104 20 5 GGBDRO O=[N+]([O-])c1cc(Br)cnc1NCC[N@@H+]1CCc2ccccc2C1 ZINC000301674288 565503527 /nfs/dbraw/zinc/50/35/27/565503527.db2.gz GRQZHWXHUQXIFQ-UHFFFAOYSA-N 1 0 377.242 3.223 20 5 GGBDRO COc1cccc([C@@H](CNc2c(Br)cncc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000301836840 565512819 /nfs/dbraw/zinc/51/28/19/565512819.db2.gz MEMGUCZAGWCRHS-CQSZACIVSA-N 1 0 395.257 3.476 20 5 GGBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000378286177 565520268 /nfs/dbraw/zinc/52/02/68/565520268.db2.gz RXLUNHJMNUDVHV-VXGBXAGGSA-N 1 0 383.246 3.106 20 5 GGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000277884309 565527431 /nfs/dbraw/zinc/52/74/31/565527431.db2.gz CWUBLCPAIBZLKL-ZJUUUORDSA-N 1 0 388.287 3.118 20 5 GGBDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2c2ccc(Br)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000302402615 565541171 /nfs/dbraw/zinc/54/11/71/565541171.db2.gz FVDKWBQSTYENNG-NFAWXSAZSA-N 1 0 398.301 3.435 20 5 GGBDRO CCN1CC[NH+](C[C@H](C)CNc2cc(C)c([N+](=O)[O-])cc2Br)CC1 ZINC000302652986 565548752 /nfs/dbraw/zinc/54/87/52/565548752.db2.gz GZJJUSMKSKGUGK-CYBMUJFWSA-N 1 0 399.333 3.351 20 5 GGBDRO Cc1cc(N2CCC(C[NH+]3CCOCC3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302633369 565548793 /nfs/dbraw/zinc/54/87/93/565548793.db2.gz CLJMPHVTCQXHIN-UHFFFAOYSA-N 1 0 398.301 3.214 20 5 GGBDRO Cc1cc(NCCN2CCC([NH+](C)C)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302649774 565548890 /nfs/dbraw/zinc/54/88/90/565548890.db2.gz GHGYIYRESCRTDC-UHFFFAOYSA-N 1 0 385.306 3.104 20 5 GGBDRO CCN1CC[NH+](C[C@H](C)CNc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000302709978 565550898 /nfs/dbraw/zinc/55/08/98/565550898.db2.gz ZDVWMUMJCFYEGZ-CYBMUJFWSA-N 1 0 385.306 3.043 20 5 GGBDRO Cc1cc(N2CCC[C@H](C[NH+]3CCOCC3)C2)c(Br)cc1[N+](=O)[O-] ZINC000302688719 565551174 /nfs/dbraw/zinc/55/11/74/565551174.db2.gz RCKMAJIEHHSVFM-CQSZACIVSA-N 1 0 398.301 3.214 20 5 GGBDRO COc1ccc(OCC[N@H+](C)Cc2ccc(Br)o2)c([N+](=O)[O-])c1 ZINC000173475935 565559802 /nfs/dbraw/zinc/55/98/02/565559802.db2.gz YDYHJNZXKOGKQL-UHFFFAOYSA-N 1 0 385.214 3.470 20 5 GGBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](Cc3cccnc3)CC2)c(Br)c1 ZINC000278700051 565573115 /nfs/dbraw/zinc/57/31/15/565573115.db2.gz MVIPLQBCCAFGNQ-UHFFFAOYSA-N 1 0 392.257 3.224 20 5 GGBDRO O=[N+]([O-])c1cc(Br)cnc1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309829613 565578568 /nfs/dbraw/zinc/57/85/68/565578568.db2.gz RQLHRLWVEDFPQN-AWEZNQCLSA-N 1 0 377.242 3.439 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000408005669 565590461 /nfs/dbraw/zinc/59/04/61/565590461.db2.gz RVCMRUMVTKLNOA-BLLLJJGKSA-N 1 0 396.285 3.222 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N3CCC[C@@H]([NH3+])C3)cc2[N+](=O)[O-])n1 ZINC000191339657 565598273 /nfs/dbraw/zinc/59/82/73/565598273.db2.gz QXVWXOMNVSTKQO-GFCCVEGCSA-N 1 0 378.479 3.074 20 5 GGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)cc1 ZINC000326720998 565626030 /nfs/dbraw/zinc/62/60/30/565626030.db2.gz YXWHHNXWYHHMPX-OAHLLOKOSA-N 1 0 385.247 3.474 20 5 GGBDRO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)N(C)C ZINC000191734278 565626887 /nfs/dbraw/zinc/62/68/87/565626887.db2.gz BGGAMSQCPYNBDM-JTQLQIEISA-N 1 0 396.241 3.184 20 5 GGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cnc3ccc(Br)cn23)cc1 ZINC000174351549 565631115 /nfs/dbraw/zinc/63/11/15/565631115.db2.gz HMYYKIZVNPLEMY-UHFFFAOYSA-N 1 0 375.226 3.337 20 5 GGBDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000279759418 565631821 /nfs/dbraw/zinc/63/18/21/565631821.db2.gz ZOHLJCNKESLAQA-UHFFFAOYSA-N 1 0 384.841 3.175 20 5 GGBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)c1 ZINC000174740633 565654951 /nfs/dbraw/zinc/65/49/51/565654951.db2.gz RDKUSOFAFKETOY-AWEZNQCLSA-N 1 0 385.251 3.124 20 5 GGBDRO CS(=O)(=O)CC1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000174942159 565668165 /nfs/dbraw/zinc/66/81/65/565668165.db2.gz OVIHCBOOZZSVIA-UHFFFAOYSA-N 1 0 380.491 3.238 20 5 GGBDRO CS(=O)(=O)CC1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000174942179 565668232 /nfs/dbraw/zinc/66/82/32/565668232.db2.gz ZOIYYLNGGQKNNU-UHFFFAOYSA-N 1 0 380.491 3.238 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2CC[NH+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000410374886 565680403 /nfs/dbraw/zinc/68/04/03/565680403.db2.gz OIDWKMPGSLYVCK-UHFFFAOYSA-N 1 0 384.274 3.080 20 5 GGBDRO O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000192354764 565682353 /nfs/dbraw/zinc/68/23/53/565682353.db2.gz KYQARBAFJMJHEK-UHFFFAOYSA-N 1 0 396.285 3.448 20 5 GGBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000192371751 565683082 /nfs/dbraw/zinc/68/30/82/565683082.db2.gz ZOUUPNVHQJKIRV-ZDUSSCGKSA-N 1 0 398.301 3.455 20 5 GGBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000192371746 565683212 /nfs/dbraw/zinc/68/32/12/565683212.db2.gz ZOUUPNVHQJKIRV-CYBMUJFWSA-N 1 0 398.301 3.455 20 5 GGBDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)c1ncc([N+](=O)[O-])s1 ZINC000192488644 565695227 /nfs/dbraw/zinc/69/52/27/565695227.db2.gz CSFHBDIJMPEMJQ-UHFFFAOYSA-N 1 0 385.287 3.382 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000175516019 565703915 /nfs/dbraw/zinc/70/39/15/565703915.db2.gz PWKCEAABIIAZKN-INIZCTEOSA-N 1 0 392.253 3.390 20 5 GGBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000330463189 565707765 /nfs/dbraw/zinc/70/77/65/565707765.db2.gz CEUOZPRSVLANDO-LBPRGKRZSA-N 1 0 384.274 3.222 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000330476108 565708734 /nfs/dbraw/zinc/70/87/34/565708734.db2.gz GZBLHSLANHKWTM-GFCCVEGCSA-N 1 0 384.274 3.080 20 5 GGBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000331501422 565763482 /nfs/dbraw/zinc/76/34/82/565763482.db2.gz HHTBJDGNDVDVMZ-GXTWGEPZSA-N 1 0 383.901 3.426 20 5 GGBDRO CC(C)OCC(C)(C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000412028645 565765898 /nfs/dbraw/zinc/76/58/98/565765898.db2.gz BGNSDGADGAJMDZ-UHFFFAOYSA-N 1 0 392.237 3.493 20 5 GGBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412264208 565777161 /nfs/dbraw/zinc/77/71/61/565777161.db2.gz CRBWNBRLDWNQDK-HNNXBMFYSA-N 1 0 383.901 3.082 20 5 GGBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000331827308 565786251 /nfs/dbraw/zinc/78/62/51/565786251.db2.gz JCLPJKQNLMPBCK-NXEZZACHSA-N 1 0 388.287 3.118 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176927065 565814915 /nfs/dbraw/zinc/81/49/15/565814915.db2.gz AEGJJUBZECTJAL-GFCCVEGCSA-N 1 0 384.274 3.352 20 5 GGBDRO CC(C)(CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000176925217 565815123 /nfs/dbraw/zinc/81/51/23/565815123.db2.gz FOCMXPWNONTWIH-UHFFFAOYSA-N 1 0 384.274 3.352 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000332209767 565816131 /nfs/dbraw/zinc/81/61/31/565816131.db2.gz RYAWIEFBFOOUOP-RISCZKNCSA-N 1 0 396.285 3.365 20 5 GGBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[NH+](C2CCCC2)CC1 ZINC000176965581 565818737 /nfs/dbraw/zinc/81/87/37/565818737.db2.gz QERBJSUKZGZGMP-UHFFFAOYSA-N 1 0 382.258 3.058 20 5 GGBDRO Cc1c(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000332234261 565818893 /nfs/dbraw/zinc/81/88/93/565818893.db2.gz PJOZUNMEPOJZJF-WCFLWFBJSA-N 1 0 397.273 3.257 20 5 GGBDRO CC(C)C[NH+]1CCC(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000177048901 565825168 /nfs/dbraw/zinc/82/51/68/565825168.db2.gz CSTJRHYOFULMRG-UHFFFAOYSA-N 1 0 384.274 3.208 20 5 GGBDRO C[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000177049355 565825346 /nfs/dbraw/zinc/82/53/46/565825346.db2.gz YSVKOFPOKMKVGA-LBPRGKRZSA-N 1 0 384.274 3.208 20 5 GGBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000177056969 565825456 /nfs/dbraw/zinc/82/54/56/565825456.db2.gz OSTHSYJYAZXVIF-LBPRGKRZSA-N 1 0 384.274 3.208 20 5 GGBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000332496230 565840658 /nfs/dbraw/zinc/84/06/58/565840658.db2.gz BVULCPCLHYJHGU-YPMHNXCESA-N 1 0 382.258 3.056 20 5 GGBDRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000332509492 565841483 /nfs/dbraw/zinc/84/14/83/565841483.db2.gz HJBWBXKZZMAYRG-SMDDNHRTSA-N 1 0 382.258 3.056 20 5 GGBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177286800 565841595 /nfs/dbraw/zinc/84/15/95/565841595.db2.gz VZXJCRHACMYZBO-ZDUSSCGKSA-N 1 0 384.274 3.352 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000332524966 565842769 /nfs/dbraw/zinc/84/27/69/565842769.db2.gz BQGSTNWGXVFFHL-DGCLKSJQSA-N 1 0 396.285 3.365 20 5 GGBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000177349777 565843916 /nfs/dbraw/zinc/84/39/16/565843916.db2.gz DKHLNNDFTGZCRV-LBPRGKRZSA-N 1 0 384.274 3.161 20 5 GGBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C1 ZINC000284398013 565852845 /nfs/dbraw/zinc/85/28/45/565852845.db2.gz QLRFWWSRROKJSZ-ZDUSSCGKSA-N 1 0 398.301 3.470 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000284541399 565857535 /nfs/dbraw/zinc/85/75/35/565857535.db2.gz DARWTCMRGKGOOW-LLVKDONJSA-N 1 0 382.258 3.046 20 5 GGBDRO O=C1O[C@@H](CN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC12CCC2 ZINC000285002024 565882745 /nfs/dbraw/zinc/88/27/45/565882745.db2.gz YVOBWHNBVAHMQG-LLVKDONJSA-N 1 0 395.253 3.201 20 5 GGBDRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000285200553 565893670 /nfs/dbraw/zinc/89/36/70/565893670.db2.gz OBUMZRXWANQCKG-JSGCOSHPSA-N 1 0 380.388 3.059 20 5 GGBDRO CC(C)C[NH+]1CCC(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000178435686 565918810 /nfs/dbraw/zinc/91/88/10/565918810.db2.gz LURFQVQEUMFYGV-UHFFFAOYSA-N 1 0 384.274 3.208 20 5 GGBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000178475795 565920400 /nfs/dbraw/zinc/92/04/00/565920400.db2.gz NLVVFBLMANNHJK-CQSZACIVSA-N 1 0 382.258 3.058 20 5 GGBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000285979205 565936075 /nfs/dbraw/zinc/93/60/75/565936075.db2.gz XAPPNSPCRLLCTE-DGCLKSJQSA-N 1 0 382.258 3.056 20 5 GGBDRO O=C(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cc1 ZINC000236617416 565941229 /nfs/dbraw/zinc/94/12/29/565941229.db2.gz GMSCLBWBSLVTFD-UHFFFAOYSA-N 1 0 378.226 3.476 20 5 GGBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)[C@@H](C)O1 ZINC000414523606 565945201 /nfs/dbraw/zinc/94/52/01/565945201.db2.gz YNRKDLXKECVBQE-FOGDFJRCSA-N 1 0 390.221 3.103 20 5 GGBDRO CC[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H](O)C(C)C ZINC000414525413 565945618 /nfs/dbraw/zinc/94/56/18/565945618.db2.gz JQBHAQIWMZAEKB-KGLIPLIRSA-N 1 0 392.237 3.085 20 5 GGBDRO [NH3+][C@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C1CC1 ZINC000414889327 565963934 /nfs/dbraw/zinc/96/39/34/565963934.db2.gz LKPNVFOZDTWVOW-OAHLLOKOSA-N 1 0 380.242 3.444 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N3CCC[C@@H]3C[NH3+])cc2[N+](=O)[O-])n1 ZINC000237648620 565966627 /nfs/dbraw/zinc/96/66/27/565966627.db2.gz XESMHNVOXQBUMK-GFCCVEGCSA-N 1 0 378.479 3.074 20 5 GGBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000179569794 565990228 /nfs/dbraw/zinc/99/02/28/565990228.db2.gz IFUKNSSRNZVCHD-STQMWFEESA-N 1 0 389.543 3.230 20 5 GGBDRO Cc1c(NC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000415655487 566012033 /nfs/dbraw/zinc/01/20/33/566012033.db2.gz KIQVUGNZTXYWFP-BXKDBHETSA-N 1 0 385.262 3.257 20 5 GGBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000287336750 566012807 /nfs/dbraw/zinc/01/28/07/566012807.db2.gz VSFBBVDXSBZEIX-ABAIWWIYSA-N 1 0 382.258 3.056 20 5 GGBDRO C[N@@H+]1CCCC12CCN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000363762590 566019232 /nfs/dbraw/zinc/01/92/32/566019232.db2.gz IFKYAAYMLICECM-UHFFFAOYSA-N 1 0 383.901 3.427 20 5 GGBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000246840884 566042602 /nfs/dbraw/zinc/04/26/02/566042602.db2.gz QKSCIRXZDDXEIT-BXUZGUMPSA-N 1 0 397.273 3.305 20 5 GGBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000246840899 566042891 /nfs/dbraw/zinc/04/28/91/566042891.db2.gz QKSCIRXZDDXEIT-SMDDNHRTSA-N 1 0 397.273 3.305 20 5 GGBDRO CC[N@H+](C)Cc1cccc(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000180425365 566061848 /nfs/dbraw/zinc/06/18/48/566061848.db2.gz UIDQTAWDEVWMJE-UHFFFAOYSA-N 1 0 383.495 3.124 20 5 GGBDRO O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000180575543 566073634 /nfs/dbraw/zinc/07/36/34/566073634.db2.gz NBVPMNHUZLYFBD-ZDUSSCGKSA-N 1 0 396.285 3.305 20 5 GGBDRO O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000180575522 566073654 /nfs/dbraw/zinc/07/36/54/566073654.db2.gz NBVPMNHUZLYFBD-CYBMUJFWSA-N 1 0 396.285 3.305 20 5 GGBDRO CC[C@H](CSC)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000180686110 566081336 /nfs/dbraw/zinc/08/13/36/566081336.db2.gz ZNYQLOFTDXDMDE-SNVBAGLBSA-N 1 0 390.303 3.369 20 5 GGBDRO O=[N+]([O-])c1cc(I)ccc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252674213 566115911 /nfs/dbraw/zinc/11/59/11/566115911.db2.gz PRJNMKOQANOXOC-NEPJUHHUSA-N 1 0 387.221 3.238 20 5 GGBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000289540235 566127456 /nfs/dbraw/zinc/12/74/56/566127456.db2.gz DZHYWFQTADFHFA-AAEUAGOBSA-N 1 0 382.258 3.056 20 5 GGBDRO COC[C@@]1(CNc2c3cc(Br)ccc3ncc2[N+](=O)[O-])CCC[NH2+]1 ZINC000261640107 566128076 /nfs/dbraw/zinc/12/80/76/566128076.db2.gz IIPATSDRBUNPRS-INIZCTEOSA-N 1 0 395.257 3.086 20 5 GGBDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000289830973 566142759 /nfs/dbraw/zinc/14/27/59/566142759.db2.gz LFUWCHQFKQVMBD-JTQLQIEISA-N 1 0 396.296 3.006 20 5 GGBDRO CC[C@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000181504442 566145479 /nfs/dbraw/zinc/14/54/79/566145479.db2.gz BOQASKGNIREMHK-HNNXBMFYSA-N 1 0 383.495 3.018 20 5 GGBDRO CC(C)([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1Br ZINC000181513212 566147100 /nfs/dbraw/zinc/14/71/00/566147100.db2.gz UQNKCZJGZWYXPF-UHFFFAOYSA-N 1 0 380.242 3.044 20 5 GGBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1cccs1 ZINC000417344052 566147792 /nfs/dbraw/zinc/14/77/92/566147792.db2.gz PKXJQZFULPXFLA-UHOFOFEASA-N 1 0 380.491 3.212 20 5 GGBDRO CSc1ccc(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)cc1[N+](=O)[O-] ZINC000262320210 566150937 /nfs/dbraw/zinc/15/09/37/566150937.db2.gz QFAYEVHZAMGLNU-UHFFFAOYSA-N 1 0 378.479 3.493 20 5 GGBDRO CC[NH2+][C@H](C)CNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000262443663 566152166 /nfs/dbraw/zinc/15/21/66/566152166.db2.gz IEIWIOMUBQYLFP-SNVBAGLBSA-N 1 0 380.495 3.239 20 5 GGBDRO C[N@H+](CCCO)C1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000290085898 566156106 /nfs/dbraw/zinc/15/61/06/566156106.db2.gz VLYDCPMTXSVOTA-UHFFFAOYSA-N 1 0 376.284 3.180 20 5 GGBDRO Cc1c(Br)cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000366603401 566161133 /nfs/dbraw/zinc/16/11/33/566161133.db2.gz MTRXJOCEQZACFL-QWHCGFSZSA-N 1 0 382.258 3.022 20 5 GGBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000182175914 566187887 /nfs/dbraw/zinc/18/78/87/566187887.db2.gz ILONNGMKUFBYSX-SWLSCSKDSA-N 1 0 395.253 3.448 20 5 GGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000290909421 566196536 /nfs/dbraw/zinc/19/65/36/566196536.db2.gz PAGHLGYJHIKDRV-GFCCVEGCSA-N 1 0 388.295 3.492 20 5 GGBDRO COCCC[NH+]1CCC(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000291538017 566225278 /nfs/dbraw/zinc/22/52/78/566225278.db2.gz OODWEMRKBBTCRN-UHFFFAOYSA-N 1 0 390.267 3.132 20 5 GGBDRO Cn1c(Sc2ccc(Br)cc2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000265386408 566236720 /nfs/dbraw/zinc/23/67/20/566236720.db2.gz DZSDCUWMRUSMID-VIFPVBQESA-N 1 0 398.286 3.104 20 5 GGBDRO CC(C)n1c(Sc2ncc([N+](=O)[O-])cc2Cl)nnc1[C@@H]1CCC[NH2+]C1 ZINC000265473558 566237702 /nfs/dbraw/zinc/23/77/02/566237702.db2.gz DNWLXDURDPWSAO-SNVBAGLBSA-N 1 0 382.877 3.434 20 5 GGBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000265829419 566242662 /nfs/dbraw/zinc/24/26/62/566242662.db2.gz SNFZPMYXUDWOOB-ZDUSSCGKSA-N 1 0 382.258 3.058 20 5 GGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c(Br)c1 ZINC000266260041 566247998 /nfs/dbraw/zinc/24/79/98/566247998.db2.gz OVMHLZVJVZZJKZ-LBPRGKRZSA-N 1 0 384.274 3.270 20 5 GGBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000183528994 566248464 /nfs/dbraw/zinc/24/84/64/566248464.db2.gz ONJHAWZLBBKTMA-ZDUSSCGKSA-N 1 0 385.917 3.434 20 5 GGBDRO O=C(NCCC[NH2+]C1CCCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000419925849 566252600 /nfs/dbraw/zinc/25/26/00/566252600.db2.gz TYIUABXRVOQJAW-UHFFFAOYSA-N 1 0 384.274 3.400 20 5 GGBDRO CC(C)SCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000575737543 566279076 /nfs/dbraw/zinc/27/90/76/566279076.db2.gz FIKRPPOQIFBTBE-UHFFFAOYSA-N 1 0 380.251 3.431 20 5 GGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599607367 566280162 /nfs/dbraw/zinc/28/01/62/566280162.db2.gz NYONIAPPQXUYED-LBPRGKRZSA-N 1 0 384.274 3.161 20 5 GGBDRO Cc1cc(N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c(Br)cc1[N+](=O)[O-] ZINC000575974460 566302940 /nfs/dbraw/zinc/30/29/40/566302940.db2.gz IIVVMIRFRPBHFP-WMLDXEAASA-N 1 0 398.301 3.388 20 5 GGBDRO Cc1cc(N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c(Br)cc1[N+](=O)[O-] ZINC000575974459 566303298 /nfs/dbraw/zinc/30/32/98/566303298.db2.gz IIVVMIRFRPBHFP-RHSMWYFYSA-N 1 0 398.301 3.388 20 5 GGBDRO CN(C(=O)c1c(Br)cccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000599935352 566304499 /nfs/dbraw/zinc/30/44/99/566304499.db2.gz PFRTYTQVJUNYBX-FOSCPWQOSA-N 1 0 382.258 3.055 20 5 GGBDRO Cc1c(Br)cc(C(=O)NCC2([NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000509631654 566322584 /nfs/dbraw/zinc/32/25/84/566322584.db2.gz GMOHQHIGFJHJBR-UHFFFAOYSA-N 1 0 384.274 3.270 20 5 GGBDRO Cc1c(Br)cc(C(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000509635519 566322592 /nfs/dbraw/zinc/32/25/92/566322592.db2.gz AXEMKELNRMEYIX-NSHDSACASA-N 1 0 384.274 3.127 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000509652533 566324909 /nfs/dbraw/zinc/32/49/09/566324909.db2.gz LCWVTZLYPBSQRY-UHFFFAOYSA-N 1 0 384.274 3.080 20 5 GGBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000509691802 566329597 /nfs/dbraw/zinc/32/95/97/566329597.db2.gz FAGWJBZOAHXMAT-GFCCVEGCSA-N 1 0 384.274 3.127 20 5 GGBDRO CC(C)(CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000482927970 566343284 /nfs/dbraw/zinc/34/32/84/566343284.db2.gz NAYHGKZDJODJPI-UHFFFAOYSA-N 1 0 384.274 3.209 20 5 GGBDRO CC[NH+]1CCC(CNC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CC1 ZINC000576481718 566350137 /nfs/dbraw/zinc/35/01/37/566350137.db2.gz NNGWAKIMKFHHFI-UHFFFAOYSA-N 1 0 384.274 3.127 20 5 GGBDRO C[C@H]1C[C@@H](Nc2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC[N@@H+]1C ZINC000462875452 566362951 /nfs/dbraw/zinc/36/29/51/566362951.db2.gz MFUMJLXTTWRLLY-JQWIXIFHSA-N 1 0 379.258 3.222 20 5 GGBDRO C[C@@H]1C[C@@H](Nc2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC[N@@H+]1C ZINC000462875453 566363064 /nfs/dbraw/zinc/36/30/64/566363064.db2.gz MFUMJLXTTWRLLY-PWSUYJOCSA-N 1 0 379.258 3.222 20 5 GGBDRO CO[C@@](C)(C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000462908691 566367023 /nfs/dbraw/zinc/36/70/23/566367023.db2.gz YZHPLLHNZUNYJF-AWEZNQCLSA-N 1 0 390.221 3.104 20 5 GGBDRO CO[C@](C)(C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000462908692 566367314 /nfs/dbraw/zinc/36/73/14/566367314.db2.gz YZHPLLHNZUNYJF-CQSZACIVSA-N 1 0 390.221 3.104 20 5 GGBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cccc(Br)c1 ZINC000536381139 566370005 /nfs/dbraw/zinc/37/00/05/566370005.db2.gz DKOVPZADIQNELH-UHFFFAOYSA-N 1 0 380.242 3.041 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](O)C3CC3)o2)c(Br)c1 ZINC000510276419 566372059 /nfs/dbraw/zinc/37/20/59/566372059.db2.gz AEFYCBUGVVNZKH-HNNXBMFYSA-N 1 0 381.226 3.478 20 5 GGBDRO C[NH+](C)CCOc1cc(CNc2ccc([N+](=O)[O-])cc2Br)ccn1 ZINC000536491415 566377452 /nfs/dbraw/zinc/37/74/52/566377452.db2.gz KZZIDTDODPMGAU-UHFFFAOYSA-N 1 0 395.257 3.305 20 5 GGBDRO C[N@H+](Cc1ccccc1)C1CN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000557735641 566412184 /nfs/dbraw/zinc/41/21/84/566412184.db2.gz PFFJGYHQCBPZPL-UHFFFAOYSA-N 1 0 377.242 3.073 20 5 GGBDRO C[N@@H+]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000557741318 566414414 /nfs/dbraw/zinc/41/44/14/566414414.db2.gz KMVQZBBANVUPMY-HNNXBMFYSA-N 1 0 391.269 3.115 20 5 GGBDRO C[NH+](C)CCOc1cnccc1CNc1ccc([N+](=O)[O-])cc1Br ZINC000577435900 566434054 /nfs/dbraw/zinc/43/40/54/566434054.db2.gz FSEASEYFKPGHGM-UHFFFAOYSA-N 1 0 395.257 3.305 20 5 GGBDRO O=[N+]([O-])c1c(NCC2([NH+]3CCSCC3)CCCCC2)nc2sccn21 ZINC000484595744 566439228 /nfs/dbraw/zinc/43/92/28/566439228.db2.gz DWSZCHMILVEPJZ-UHFFFAOYSA-N 1 0 381.527 3.468 20 5 GGBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000558028022 566442828 /nfs/dbraw/zinc/44/28/28/566442828.db2.gz ZQRQVKRHHWVODI-MQIPJXDCSA-N 1 0 396.285 3.160 20 5 GGBDRO Cc1nn(C)c(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c1Br ZINC000447898245 566444838 /nfs/dbraw/zinc/44/48/38/566444838.db2.gz SZRMEDFAOUXFNI-UHFFFAOYSA-N 1 0 387.665 3.385 20 5 GGBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000602511330 566475930 /nfs/dbraw/zinc/47/59/30/566475930.db2.gz OLTQJBKKODQSBZ-HNNXBMFYSA-N 1 0 396.285 3.208 20 5 GGBDRO C[C@H](COCC(F)(F)F)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602532148 566476394 /nfs/dbraw/zinc/47/63/94/566476394.db2.gz DPARWFRCEZUWGB-ZCFIWIBFSA-N 1 0 377.182 3.476 20 5 GGBDRO Cc1ncc2c(n1)CC[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C2 ZINC000602508083 566476597 /nfs/dbraw/zinc/47/65/97/566476597.db2.gz LIERXCKTIRSGNN-JTQLQIEISA-N 1 0 383.271 3.164 20 5 GGBDRO O=[N+]([O-])c1sc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)cc1Br ZINC000602566712 566477556 /nfs/dbraw/zinc/47/75/56/566477556.db2.gz APGUXCYHQQIKBQ-JTQLQIEISA-N 1 0 391.287 3.237 20 5 GGBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)cc1Br ZINC000602566713 566477846 /nfs/dbraw/zinc/47/78/46/566477846.db2.gz APGUXCYHQQIKBQ-SNVBAGLBSA-N 1 0 391.287 3.237 20 5 GGBDRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602557272 566478112 /nfs/dbraw/zinc/47/81/12/566478112.db2.gz OEPNOFWSFAUXOA-STQMWFEESA-N 1 0 380.388 3.059 20 5 GGBDRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602544968 566478208 /nfs/dbraw/zinc/47/82/08/566478208.db2.gz CWSIJVKSZWXVMG-NXEZZACHSA-N 1 0 390.303 3.155 20 5 GGBDRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602544974 566478413 /nfs/dbraw/zinc/47/84/13/566478413.db2.gz CWSIJVKSZWXVMG-ZJUUUORDSA-N 1 0 390.303 3.155 20 5 GGBDRO CCCC[C@@H](COC)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000558485570 566479495 /nfs/dbraw/zinc/47/94/95/566479495.db2.gz FBLYRIMYXDVDJQ-ZDUSSCGKSA-N 1 0 392.237 3.494 20 5 GGBDRO CCCC[C@H](COC)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000558485569 566479695 /nfs/dbraw/zinc/47/96/95/566479695.db2.gz FBLYRIMYXDVDJQ-CYBMUJFWSA-N 1 0 392.237 3.494 20 5 GGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)[C@]12CCCO2 ZINC000602612207 566482541 /nfs/dbraw/zinc/48/25/41/566482541.db2.gz HPWWBFOOMFOABT-YRGRVCCFSA-N 1 0 391.287 3.235 20 5 GGBDRO CC[NH+]1CCC(Nc2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC000511715502 566485150 /nfs/dbraw/zinc/48/51/50/566485150.db2.gz ZNQIXUNPNPPRCR-UHFFFAOYSA-N 1 0 379.258 3.224 20 5 GGBDRO O=[N+]([O-])c1sc(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)cc1Br ZINC000602684824 566487192 /nfs/dbraw/zinc/48/71/92/566487192.db2.gz IZEZJQCVQVNSOV-YPMHNXCESA-N 1 0 375.288 3.306 20 5 GGBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)cc1Br ZINC000602684823 566487876 /nfs/dbraw/zinc/48/78/76/566487876.db2.gz IZEZJQCVQVNSOV-WCQYABFASA-N 1 0 375.288 3.306 20 5 GGBDRO CC(C)(C)N1C[C@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1=O ZINC000602717898 566489650 /nfs/dbraw/zinc/48/96/50/566489650.db2.gz JUNXVEYUZXIXAO-VIFPVBQESA-N 1 0 390.303 3.155 20 5 GGBDRO C[N@@H+]1CCC[C@@H](CNc2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000538088615 566492096 /nfs/dbraw/zinc/49/20/96/566492096.db2.gz IBJMEYKZGZDCIL-NSHDSACASA-N 1 0 379.258 3.081 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000423980597 566500908 /nfs/dbraw/zinc/50/09/08/566500908.db2.gz SZBKTMVIIPWUMQ-UHFFFAOYSA-N 1 0 380.857 3.353 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000578227932 566503632 /nfs/dbraw/zinc/50/36/32/566503632.db2.gz VHPXVVVSJHGTDT-ZDUSSCGKSA-N 1 0 396.285 3.412 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCCS(=O)(=O)C3)o2)c(Cl)c1 ZINC000538414421 566511841 /nfs/dbraw/zinc/51/18/41/566511841.db2.gz HZLVIBQYDKBGKU-LLVKDONJSA-N 1 0 384.841 3.175 20 5 GGBDRO Cc1c(Br)c(NC2CC[NH+](C3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000603409468 566524165 /nfs/dbraw/zinc/52/41/65/566524165.db2.gz YSYZSDWUCLJGFG-UHFFFAOYSA-N 1 0 399.289 3.116 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2cc(F)ccc2Br)c1 ZINC000559071776 566525211 /nfs/dbraw/zinc/52/52/11/566525211.db2.gz HUZALBUPTOEUAC-CQSZACIVSA-N 1 0 399.216 3.026 20 5 GGBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cc(F)cc(Br)c1 ZINC000485831716 566530414 /nfs/dbraw/zinc/53/04/14/566530414.db2.gz QBFBYGXNIUUDFC-OAHLLOKOSA-N 1 0 398.232 3.399 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)NC[C@@H](C)[NH+](C)C)cc2[N+](=O)[O-])n1 ZINC000603571476 566534378 /nfs/dbraw/zinc/53/43/78/566534378.db2.gz QKXAFFYTKCXJTL-LLVKDONJSA-N 1 0 380.495 3.191 20 5 GGBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2CC(c3ccc(Br)cc3F)C2)c1 ZINC000449197956 566536100 /nfs/dbraw/zinc/53/61/00/566536100.db2.gz YWAGTQVGNWMXLR-UHFFFAOYSA-N 1 0 383.221 3.229 20 5 GGBDRO C[N@H+](CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000603973415 566548292 /nfs/dbraw/zinc/54/82/92/566548292.db2.gz ILCHGKBDZKZOCM-UHFFFAOYSA-N 1 0 389.905 3.181 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000559489807 566552600 /nfs/dbraw/zinc/55/26/00/566552600.db2.gz GEWOMOUVOHYETM-LLVKDONJSA-N 1 0 384.274 3.127 20 5 GGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCn1cc(Br)ccc1=O ZINC000449380645 566556596 /nfs/dbraw/zinc/55/65/96/566556596.db2.gz WSLNRXZMCVMUQJ-ZDUSSCGKSA-N 1 0 394.269 3.130 20 5 GGBDRO C[NH+](C)CC1(CNC(=O)c2sc(Br)cc2[N+](=O)[O-])CCCC1 ZINC000486154204 566563161 /nfs/dbraw/zinc/56/31/61/566563161.db2.gz SWPHQFWQDKQIOH-UHFFFAOYSA-N 1 0 390.303 3.271 20 5 GGBDRO Cc1c(Br)c(NCc2ccc(CC[NH+](C)C)cc2)ncc1[N+](=O)[O-] ZINC000466436846 566575097 /nfs/dbraw/zinc/57/50/97/566575097.db2.gz RGQNQOQXEFKJKM-UHFFFAOYSA-N 1 0 393.285 3.199 20 5 GGBDRO CO[C@H]([C@@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000449628377 566584819 /nfs/dbraw/zinc/58/48/19/566584819.db2.gz IKMWLCDIXACJHZ-YMTOWFKASA-N 1 0 390.221 3.103 20 5 GGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)c1 ZINC000449685183 566592445 /nfs/dbraw/zinc/59/24/45/566592445.db2.gz TZGHUKVUGVUOIY-AWEZNQCLSA-N 1 0 397.244 3.437 20 5 GGBDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000449753742 566599434 /nfs/dbraw/zinc/59/94/34/566599434.db2.gz HLEUOIVCPPUJTI-ZIAGYGMSSA-N 1 0 390.221 3.247 20 5 GGBDRO C[C@]1(F)C[NH2+]CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000579334509 566599650 /nfs/dbraw/zinc/59/96/50/566599650.db2.gz PMZFEASEWRJOSP-HNNXBMFYSA-N 1 0 383.221 3.043 20 5 GGBDRO CC[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)NC ZINC000449775495 566601505 /nfs/dbraw/zinc/60/15/05/566601505.db2.gz NFECIMVXRZRUSS-AWEZNQCLSA-N 1 0 396.241 3.232 20 5 GGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000540179110 566634313 /nfs/dbraw/zinc/63/43/13/566634313.db2.gz MQDLTZNTOPBBLJ-KFWWJZLASA-N 1 0 386.539 3.411 20 5 GGBDRO CCOc1ccc([C@H](C)[NH2+]CCn2cc(Br)cn2)cc1[N+](=O)[O-] ZINC000560580290 566639211 /nfs/dbraw/zinc/63/92/11/566639211.db2.gz DCEVQZMKRFFOOX-NSHDSACASA-N 1 0 383.246 3.303 20 5 GGBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000425455751 566645238 /nfs/dbraw/zinc/64/52/38/566645238.db2.gz GYDUNYCWTNHGEL-IMJJTQAJSA-N 1 0 396.285 3.094 20 5 GGBDRO C[C@@H](C[C@@H]1CCCO1)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000514636224 566658231 /nfs/dbraw/zinc/65/82/31/566658231.db2.gz SJAHDVDKUNHSPF-HZMBPMFUSA-N 1 0 390.221 3.247 20 5 GGBDRO C[C@H](C[C@H]1CCCO1)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000514636226 566658743 /nfs/dbraw/zinc/65/87/43/566658743.db2.gz SJAHDVDKUNHSPF-QMTHXVAHSA-N 1 0 390.221 3.247 20 5 GGBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CC[C@H]2CCCCO2)c1 ZINC000514695001 566663353 /nfs/dbraw/zinc/66/33/53/566663353.db2.gz LXKABOGNYZQKSS-CQSZACIVSA-N 1 0 390.221 3.248 20 5 GGBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CC[C@@H]2CCCCO2)c1 ZINC000514695000 566663614 /nfs/dbraw/zinc/66/36/14/566663614.db2.gz LXKABOGNYZQKSS-AWEZNQCLSA-N 1 0 390.221 3.248 20 5 GGBDRO C[C@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000561335126 566695213 /nfs/dbraw/zinc/69/52/13/566695213.db2.gz LKXQTZZOVDPVKI-SWLSCSKDSA-N 1 0 387.311 3.364 20 5 GGBDRO CC[N@@H+]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000561358611 566698452 /nfs/dbraw/zinc/69/84/52/566698452.db2.gz IXYJZNMKQYTTRD-LLVKDONJSA-N 1 0 379.258 3.436 20 5 GGBDRO C[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541280780 566710647 /nfs/dbraw/zinc/71/06/47/566710647.db2.gz KBXFPGWICCTEDI-OAHLLOKOSA-N 1 0 395.253 3.229 20 5 GGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+](CCO)Cc1cccc(Br)c1 ZINC000488181156 566712098 /nfs/dbraw/zinc/71/20/98/566712098.db2.gz JDFRZVXJAJRZLS-UHFFFAOYSA-N 1 0 395.253 3.231 20 5 GGBDRO C[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000561527808 566715628 /nfs/dbraw/zinc/71/56/28/566715628.db2.gz SNRKTRDPNYYMHY-LBPRGKRZSA-N 1 0 396.285 3.304 20 5 GGBDRO CCC[NH+](CCC)CCCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000609075891 566748687 /nfs/dbraw/zinc/74/86/87/566748687.db2.gz BAZLEAOEAVVMIR-UHFFFAOYSA-N 1 0 377.894 3.039 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCCCCC1 ZINC000516197825 566752071 /nfs/dbraw/zinc/75/20/71/566752071.db2.gz RICTZVCJRVPXKV-UHFFFAOYSA-N 1 0 384.274 3.272 20 5 GGBDRO O=[N+]([O-])c1cc(Br)ccc1NCC1([NH+]2CCCC2)CCOCC1 ZINC000609192820 566754056 /nfs/dbraw/zinc/75/40/56/566754056.db2.gz MRHHEZJHUGOPEX-UHFFFAOYSA-N 1 0 384.274 3.414 20 5 GGBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000451096969 566755260 /nfs/dbraw/zinc/75/52/60/566755260.db2.gz CTNVMGNXLOPXMC-BLLLJJGKSA-N 1 0 395.253 3.448 20 5 GGBDRO CC[N@H+](CCNC(=O)c1cccc(SC)c1[N+](=O)[O-])CCC(F)(F)F ZINC000427243936 566759943 /nfs/dbraw/zinc/75/99/43/566759943.db2.gz AZAJHLLXVDFTJS-UHFFFAOYSA-N 1 0 379.404 3.321 20 5 GGBDRO CC[NH+](CC)C[C@H](C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000516516021 566766437 /nfs/dbraw/zinc/76/64/37/566766437.db2.gz DLBWNYINBCPUMT-NSHDSACASA-N 1 0 391.253 3.019 20 5 GGBDRO C[C@H]1CC([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000516606635 566771778 /nfs/dbraw/zinc/77/17/78/566771778.db2.gz OKGHSCHXEJFFBK-UWVGGRQHSA-N 1 0 390.221 3.245 20 5 GGBDRO CC(C)[NH2+][C@@H]1CCCN(c2ccc(I)cc2[N+](=O)[O-])C1 ZINC000609595671 566775518 /nfs/dbraw/zinc/77/55/18/566775518.db2.gz ZPCPYTUCALKBQB-GFCCVEGCSA-N 1 0 389.237 3.166 20 5 GGBDRO CCC(CC)(CO)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000581696108 566799557 /nfs/dbraw/zinc/79/95/57/566799557.db2.gz URWBTKZGBBABSJ-UHFFFAOYSA-N 1 0 392.237 3.088 20 5 GGBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)[N@@H+]1CCCC[C@@H]1C ZINC000610040521 566800093 /nfs/dbraw/zinc/80/00/93/566800093.db2.gz ZAEVKFOTNGTSGQ-NWDGAFQWSA-N 1 0 384.274 3.350 20 5 GGBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)[N@@H+]1CCCC[C@H]1C ZINC000610040523 566800354 /nfs/dbraw/zinc/80/03/54/566800354.db2.gz ZAEVKFOTNGTSGQ-VXGBXAGGSA-N 1 0 384.274 3.350 20 5 GGBDRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542680760 566817507 /nfs/dbraw/zinc/81/75/07/566817507.db2.gz MWNDLLYTBVDAMP-ZDUSSCGKSA-N 1 0 382.869 3.243 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(F)cc1Br ZINC000517428371 566825152 /nfs/dbraw/zinc/82/51/52/566825152.db2.gz MRRDNHTVRBLAQI-CYBMUJFWSA-N 1 0 399.216 3.026 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(F)cc1Br ZINC000517428373 566825904 /nfs/dbraw/zinc/82/59/04/566825904.db2.gz MRRDNHTVRBLAQI-ZDUSSCGKSA-N 1 0 399.216 3.026 20 5 GGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451569105 566840945 /nfs/dbraw/zinc/84/09/45/566840945.db2.gz NQNCNJZFGMVFPD-AWEZNQCLSA-N 1 0 392.253 3.009 20 5 GGBDRO C[NH+](C)CCN(Cc1cccc(F)c1)c1ncc([N+](=O)[O-])cc1Br ZINC000470061110 566842145 /nfs/dbraw/zinc/84/21/45/566842145.db2.gz VSSGMXNSXUAIFH-UHFFFAOYSA-N 1 0 397.248 3.460 20 5 GGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)cs1 ZINC000428536106 566852210 /nfs/dbraw/zinc/85/22/10/566852210.db2.gz MEKHYBOKTVKXQM-GFCCVEGCSA-N 1 0 385.283 3.360 20 5 GGBDRO Cc1c(Br)cc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000470170414 566853019 /nfs/dbraw/zinc/85/30/19/566853019.db2.gz UNFOZLSPXHKDDU-CQSZACIVSA-N 1 0 396.285 3.412 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000470163598 566853324 /nfs/dbraw/zinc/85/33/24/566853324.db2.gz RZHJVNSVPKVNOX-OAHLLOKOSA-N 1 0 396.285 3.033 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000470163597 566853400 /nfs/dbraw/zinc/85/34/00/566853400.db2.gz RZHJVNSVPKVNOX-HNNXBMFYSA-N 1 0 396.285 3.033 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000428540549 566854002 /nfs/dbraw/zinc/85/40/02/566854002.db2.gz OAYLRKSBLBCEGU-AWEZNQCLSA-N 1 0 379.254 3.298 20 5 GGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](CO)Cc2ccccc2Br)c1 ZINC000428547533 566855721 /nfs/dbraw/zinc/85/57/21/566855721.db2.gz PHTLJCSEPQDFRV-AWEZNQCLSA-N 1 0 379.254 3.298 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000428544169 566855822 /nfs/dbraw/zinc/85/58/22/566855822.db2.gz TYZXOOVZOLGMFM-CQSZACIVSA-N 1 0 379.254 3.298 20 5 GGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2)c1 ZINC000428545833 566856452 /nfs/dbraw/zinc/85/64/52/566856452.db2.gz WFMKARLWLUQWRB-OAHLLOKOSA-N 1 0 379.254 3.298 20 5 GGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)c(F)c1 ZINC000428552986 566858049 /nfs/dbraw/zinc/85/80/49/566858049.db2.gz WQKFVWOOZBXGNN-ZDUSSCGKSA-N 1 0 397.244 3.437 20 5 GGBDRO C[C@H]1C[NH2+]CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000563129821 566858839 /nfs/dbraw/zinc/85/88/39/566858839.db2.gz AFEFECSIZBRUDE-NSHDSACASA-N 1 0 380.242 3.411 20 5 GGBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](c2c(Cl)cccc2Cl)C2CC2)c1 ZINC000582515188 566869245 /nfs/dbraw/zinc/86/92/45/566869245.db2.gz DCRAKDIDFDQLED-LRDDRELGSA-N 1 0 385.251 3.200 20 5 GGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cn3ccc(Br)cc3n2)cc1 ZINC000582515841 566869422 /nfs/dbraw/zinc/86/94/22/566869422.db2.gz JKRSXYOCOLFCEP-UHFFFAOYSA-N 1 0 375.226 3.337 20 5 GGBDRO CO[C@H](C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C(C)(C)C ZINC000582634605 566881172 /nfs/dbraw/zinc/88/11/72/566881172.db2.gz BONKPSXWPGKSKT-CYBMUJFWSA-N 1 0 392.237 3.350 20 5 GGBDRO Cc1c(Br)c(N(CC[NH+](C)C)Cc2ccco2)ncc1[N+](=O)[O-] ZINC000543438742 566881762 /nfs/dbraw/zinc/88/17/62/566881762.db2.gz RPZWPGZUPLNFOI-UHFFFAOYSA-N 1 0 383.246 3.222 20 5 GGBDRO CC[N@H+](CCNc1ncc([N+](=O)[O-])cc1Br)CCC(F)(F)F ZINC000491590082 566910536 /nfs/dbraw/zinc/91/05/36/566910536.db2.gz XEUOTCMNYKNIHA-UHFFFAOYSA-N 1 0 385.184 3.439 20 5 GGBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CC2CC(F)(F)C2)c1 ZINC000491587177 566911088 /nfs/dbraw/zinc/91/10/88/566911088.db2.gz VRGVKMLJHOHCHN-UHFFFAOYSA-N 1 0 382.148 3.334 20 5 GGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](CO)c2ccc(Br)cc2)cc1 ZINC000543837075 566914285 /nfs/dbraw/zinc/91/42/85/566914285.db2.gz XCYRAKKSNOIJDI-INIZCTEOSA-N 1 0 381.226 3.059 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1cc(Br)ccc1F ZINC000563802133 566917639 /nfs/dbraw/zinc/91/76/39/566917639.db2.gz NTYKVHSLKKGTHC-CYBMUJFWSA-N 1 0 399.216 3.026 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1cc(Br)ccc1F ZINC000563802135 566918429 /nfs/dbraw/zinc/91/84/29/566918429.db2.gz NTYKVHSLKKGTHC-ZDUSSCGKSA-N 1 0 399.216 3.026 20 5 GGBDRO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000429393230 566929031 /nfs/dbraw/zinc/92/90/31/566929031.db2.gz JOBVLWFDWQHZNV-HNNXBMFYSA-N 1 0 379.258 3.467 20 5 GGBDRO CC1(C)Cc2c(cccc2Br)[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000429411738 566929510 /nfs/dbraw/zinc/92/95/10/566929510.db2.gz WPCUKEMDSZBRIB-OAHLLOKOSA-N 1 0 379.258 3.467 20 5 GGBDRO CCC(CC)(CCO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000564006979 566935873 /nfs/dbraw/zinc/93/58/73/566935873.db2.gz VNMPYXYOPRNOJL-UHFFFAOYSA-N 1 0 392.237 3.230 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1cc(F)ccc1Br ZINC000564118854 566947314 /nfs/dbraw/zinc/94/73/14/566947314.db2.gz RSKSWMPXYBJJQZ-ZDUSSCGKSA-N 1 0 399.216 3.026 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000452175156 566948448 /nfs/dbraw/zinc/94/84/48/566948448.db2.gz SBHDAVPJYZRXRD-LLVKDONJSA-N 1 0 396.285 3.222 20 5 GGBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000519767105 566966620 /nfs/dbraw/zinc/96/66/20/566966620.db2.gz GDTUOVICLUHGQY-CHWSQXEVSA-N 1 0 383.901 3.188 20 5 GGBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000519767110 566967594 /nfs/dbraw/zinc/96/75/94/566967594.db2.gz GDTUOVICLUHGQY-OLZOCXBDSA-N 1 0 383.901 3.188 20 5 GGBDRO C[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000429954387 566969049 /nfs/dbraw/zinc/96/90/49/566969049.db2.gz VJPQURYZHWQXDP-NWDGAFQWSA-N 1 0 384.274 3.350 20 5 GGBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cc(Cl)cc(Cl)c2)cc1 ZINC000544598330 566970828 /nfs/dbraw/zinc/97/08/28/566970828.db2.gz PBOUPPFFNUAANC-UHFFFAOYSA-N 1 0 389.260 3.465 20 5 GGBDRO CC[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000564390281 566970970 /nfs/dbraw/zinc/97/09/70/566970970.db2.gz LANQNFLTRQCDSE-UONOGXRCSA-N 1 0 390.221 3.247 20 5 GGBDRO CCOC[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C(C)C ZINC000564398947 566972762 /nfs/dbraw/zinc/97/27/62/566972762.db2.gz ABIVXSAXEJFCPQ-AWEZNQCLSA-N 1 0 392.237 3.350 20 5 GGBDRO CO[C@H]1CCC[C@H]1C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000564409818 566973805 /nfs/dbraw/zinc/97/38/05/566973805.db2.gz CFDYLMKDMNMBQI-FZMZJTMJSA-N 1 0 390.221 3.104 20 5 GGBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCc3sc(Cl)cc32)cc1 ZINC000612576093 566981047 /nfs/dbraw/zinc/98/10/47/566981047.db2.gz FFSVSDUSYYGZAU-ZDUSSCGKSA-N 1 0 386.882 3.361 20 5 GGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000495059028 567042540 /nfs/dbraw/zinc/04/25/40/567042540.db2.gz LICTVYZNDGCSJN-LBPRGKRZSA-N 1 0 375.416 3.489 20 5 GGBDRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000495432780 567060893 /nfs/dbraw/zinc/06/08/93/567060893.db2.gz LFXTWAXMHXBIBE-JTQLQIEISA-N 1 0 387.665 3.428 20 5 GGBDRO CC[C@H]([NH2+]CCn1cc(Br)ccc1=O)c1cccc([N+](=O)[O-])c1 ZINC000453257635 567069399 /nfs/dbraw/zinc/06/93/99/567069399.db2.gz VDBHPUFZJMXPNM-HNNXBMFYSA-N 1 0 380.242 3.260 20 5 GGBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000585699512 567080768 /nfs/dbraw/zinc/08/07/68/567080768.db2.gz YRSRPKWGUMJGQY-GFCCVEGCSA-N 1 0 384.274 3.270 20 5 GGBDRO O=C(NCCC[NH+]1CCCCCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431501764 567086626 /nfs/dbraw/zinc/08/66/26/567086626.db2.gz ZIBXUFPNCGUTBG-UHFFFAOYSA-N 1 0 384.274 3.353 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1cccc(Cl)c1Cl ZINC000565678364 567090059 /nfs/dbraw/zinc/09/00/59/567090059.db2.gz NNAPZSGTTHDXKD-CYBMUJFWSA-N 1 0 385.247 3.474 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000431655901 567098976 /nfs/dbraw/zinc/09/89/76/567098976.db2.gz RFHGGIVFYBAPAR-INIZCTEOSA-N 1 0 392.253 3.390 20 5 GGBDRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000565803799 567100937 /nfs/dbraw/zinc/10/09/37/567100937.db2.gz PWVXAFPAKGPMRC-GWCFXTLKSA-N 1 0 392.237 3.086 20 5 GGBDRO C[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000431768420 567107022 /nfs/dbraw/zinc/10/70/22/567107022.db2.gz KNCCJHPTEANMRV-NWDGAFQWSA-N 1 0 384.274 3.208 20 5 GGBDRO C[NH+](C)[C@@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000473921841 567115571 /nfs/dbraw/zinc/11/55/71/567115571.db2.gz WVMQFDHOYPDBPS-HNNXBMFYSA-N 1 0 389.905 3.037 20 5 GGBDRO C[NH+](C)CC[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(C)(C)C ZINC000431950230 567118336 /nfs/dbraw/zinc/11/83/36/567118336.db2.gz LCBHWJODBRLHPQ-CQSZACIVSA-N 1 0 386.290 3.454 20 5 GGBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000474167923 567143771 /nfs/dbraw/zinc/14/37/71/567143771.db2.gz HDGOFEWITHNXMO-CQSZACIVSA-N 1 0 386.290 3.294 20 5 GGBDRO O=C1[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCN1c1cccc(Br)c1 ZINC000432339544 567151313 /nfs/dbraw/zinc/15/13/13/567151313.db2.gz SRHQZAUDWNSTEF-INIZCTEOSA-N 1 0 390.237 3.252 20 5 GGBDRO O=C1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCN1c1cccc(Br)c1 ZINC000432338835 567151484 /nfs/dbraw/zinc/15/14/84/567151484.db2.gz YDENSIDUIQYYGV-INIZCTEOSA-N 1 0 390.237 3.252 20 5 GGBDRO C[NH+](C)CC1(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCCC1 ZINC000546785992 567159444 /nfs/dbraw/zinc/15/94/44/567159444.db2.gz QLJPUDJBZMGMCD-UHFFFAOYSA-N 1 0 384.274 3.209 20 5 GGBDRO [NH3+]CCN(Cc1cc2c(c(Br)c1)OCO2)c1ccccc1[N+](=O)[O-] ZINC000589191411 567165119 /nfs/dbraw/zinc/16/51/19/567165119.db2.gz XFCOBKUTNBQZEJ-UHFFFAOYSA-N 1 0 394.225 3.051 20 5 GGBDRO C[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000589316932 567174901 /nfs/dbraw/zinc/17/49/01/567174901.db2.gz XSGVPKICHLZQGG-YGRLFVJLSA-N 1 0 390.221 3.247 20 5 GGBDRO CN(C)c1cc[nH+]c(NCc2cc(I)cc([N+](=O)[O-])c2)c1 ZINC000589316849 567175289 /nfs/dbraw/zinc/17/52/89/567175289.db2.gz GOYRLIQGKSVEFH-UHFFFAOYSA-N 1 0 398.204 3.273 20 5 GGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)c(F)c1 ZINC000590198450 567213839 /nfs/dbraw/zinc/21/38/39/567213839.db2.gz RPQRLQBXCPXQBG-UHFFFAOYSA-N 1 0 386.832 3.341 20 5 GGBDRO Cc1cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000616062141 567223780 /nfs/dbraw/zinc/22/37/80/567223780.db2.gz GZSJFGRQCLWVET-CYBMUJFWSA-N 1 0 384.274 3.331 20 5 GGBDRO Cc1cccc(CC[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)n1 ZINC000567203061 567226520 /nfs/dbraw/zinc/22/65/20/567226520.db2.gz XXQKMOPGGRTVKT-UHFFFAOYSA-N 1 0 397.216 3.235 20 5 GGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)c1 ZINC000433285538 567238920 /nfs/dbraw/zinc/23/89/20/567238920.db2.gz IEVUHOXFSANSCU-AWEZNQCLSA-N 1 0 379.258 3.118 20 5 GGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)c1 ZINC000433285541 567238947 /nfs/dbraw/zinc/23/89/47/567238947.db2.gz IEVUHOXFSANSCU-CQSZACIVSA-N 1 0 379.258 3.118 20 5 GGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000525396700 567246375 /nfs/dbraw/zinc/24/63/75/567246375.db2.gz XHYPZTBAACORCF-NEPJUHHUSA-N 1 0 384.274 3.302 20 5 GGBDRO COc1ccc(C[C@](C)([NH3+])CNc2ncc(Br)cc2[N+](=O)[O-])cc1 ZINC000500274719 567311096 /nfs/dbraw/zinc/31/10/96/567311096.db2.gz LPFWCNGGSLXQPG-INIZCTEOSA-N 1 0 395.257 3.133 20 5 GGBDRO CC[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000568330465 567319697 /nfs/dbraw/zinc/31/96/97/567319697.db2.gz LCJFCUXHGOHUEM-CQSZACIVSA-N 1 0 390.221 3.200 20 5 GGBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592254578 567325249 /nfs/dbraw/zinc/32/52/49/567325249.db2.gz HLJGZOCOGNGZTB-CHWSQXEVSA-N 1 0 396.285 3.209 20 5 GGBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000592343054 567331288 /nfs/dbraw/zinc/33/12/88/567331288.db2.gz GYBIQTHHRWDBEA-OAHLLOKOSA-N 1 0 396.285 3.208 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000568676739 567347502 /nfs/dbraw/zinc/34/75/02/567347502.db2.gz OEDREANBTAAZQY-WFASDCNBSA-N 1 0 396.285 3.365 20 5 GGBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CC1 ZINC000456519114 567387779 /nfs/dbraw/zinc/38/77/79/567387779.db2.gz IIPGRNRZPUNVNX-NSHDSACASA-N 1 0 384.274 3.222 20 5 GGBDRO CC(C)OCCC[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000569292453 567393471 /nfs/dbraw/zinc/39/34/71/567393471.db2.gz OSQLJJLSMRCWLO-UHFFFAOYSA-N 1 0 392.237 3.446 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000593189322 567393732 /nfs/dbraw/zinc/39/37/32/567393732.db2.gz LESNNIWKOZEVAQ-JLLWLGSASA-N 1 0 384.274 3.219 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000593189323 567394215 /nfs/dbraw/zinc/39/42/15/567394215.db2.gz LESNNIWKOZEVAQ-USWWRNFRSA-N 1 0 384.274 3.219 20 5 GGBDRO Cc1c(Cl)cc(S(=O)(=O)NCCCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000549914296 567417841 /nfs/dbraw/zinc/41/78/41/567417841.db2.gz GPKCIHHJDHDTES-UHFFFAOYSA-N 1 0 389.905 3.101 20 5 GGBDRO COc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1Br ZINC000569768561 567431446 /nfs/dbraw/zinc/43/14/46/567431446.db2.gz IYWIDJJMKGWKRI-UHFFFAOYSA-N 1 0 380.242 3.331 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000550220224 567435902 /nfs/dbraw/zinc/43/59/02/567435902.db2.gz FIHFLIJRLAWDGS-LLVKDONJSA-N 1 0 384.274 3.127 20 5 GGBDRO C[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593730280 567437930 /nfs/dbraw/zinc/43/79/30/567437930.db2.gz HFAZWXBABGRSAJ-BXKDBHETSA-N 1 0 396.296 3.040 20 5 GGBDRO CC[N@H+](CCNCc1cc(I)cc([N+](=O)[O-])c1)C(C)C ZINC000569891242 567441927 /nfs/dbraw/zinc/44/19/27/567441927.db2.gz BXGCBZGHCBJZLZ-UHFFFAOYSA-N 1 0 391.253 3.019 20 5 GGBDRO O=C(C[NH2+][C@@H]1CCCC[C@H]1OC(F)F)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000502558092 567442642 /nfs/dbraw/zinc/44/26/42/567442642.db2.gz HTJRZPPHIXSOHR-CHWSQXEVSA-N 1 0 377.775 3.327 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)CC[NH+]1CCCCC1 ZINC000593884136 567445260 /nfs/dbraw/zinc/44/52/60/567445260.db2.gz TVUBBCIWSVJBBL-UHFFFAOYSA-N 1 0 384.274 3.224 20 5 GGBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1sc(Br)cc1[N+](=O)[O-] ZINC000594195940 567464253 /nfs/dbraw/zinc/46/42/53/567464253.db2.gz JEHQNAHIHQTDME-ZJUUUORDSA-N 1 0 388.287 3.166 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594199439 567465093 /nfs/dbraw/zinc/46/50/93/567465093.db2.gz ZKSKLDRTZMLXRT-HZPDHXFCSA-N 1 0 396.285 3.033 20 5 GGBDRO Cc1cc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000570293495 567473572 /nfs/dbraw/zinc/47/35/72/567473572.db2.gz LZMMCZTXORQYQM-CQSZACIVSA-N 1 0 398.301 3.357 20 5 GGBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(c3ccc(Br)cc3)CC2)n1 ZINC000503411744 567482949 /nfs/dbraw/zinc/48/29/49/567482949.db2.gz ILBJSLWRVBGFBK-UHFFFAOYSA-N 1 0 379.258 3.433 20 5 GGBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3ccc(Br)cc3)CC2)c1 ZINC000503441514 567484558 /nfs/dbraw/zinc/48/45/58/567484558.db2.gz ZZZCLAQYOXZZFF-UHFFFAOYSA-N 1 0 379.258 3.433 20 5 GGBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[NH2+]C2(CCCCC2)C1 ZINC000594628986 567492495 /nfs/dbraw/zinc/49/24/95/567492495.db2.gz UDDYJYUHDCFGMG-UHFFFAOYSA-N 1 0 382.258 3.106 20 5 GGBDRO CS[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000437928860 567514496 /nfs/dbraw/zinc/51/44/96/567514496.db2.gz GKCJZPQEQCUUPF-HUUCEWRRSA-N 1 0 384.889 3.292 20 5 GGBDRO CS[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000437928861 567515503 /nfs/dbraw/zinc/51/55/03/567515503.db2.gz GKCJZPQEQCUUPF-LSDHHAIUSA-N 1 0 384.889 3.292 20 5 GGBDRO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000594960742 567531219 /nfs/dbraw/zinc/53/12/19/567531219.db2.gz KODNXWRRQPVJON-MLTMRYFHSA-N 1 0 379.507 3.498 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458220252 567533771 /nfs/dbraw/zinc/53/37/71/567533771.db2.gz OWEQIJFGCLZAJP-LBPRGKRZSA-N 1 0 384.274 3.127 20 5 GGBDRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000479431681 567534279 /nfs/dbraw/zinc/53/42/79/567534279.db2.gz ZFIAIOPHARFLDT-UHFFFAOYSA-N 1 0 382.869 3.374 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCn1cc(Br)cn1 ZINC000595052688 567539167 /nfs/dbraw/zinc/53/91/67/567539167.db2.gz SOGXNMXMJCHKMA-LLVKDONJSA-N 1 0 383.246 3.303 20 5 GGBDRO C[N@H+](CCOCCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000504569464 567540526 /nfs/dbraw/zinc/54/05/26/567540526.db2.gz ZTBGKUCEYUOFAT-UHFFFAOYSA-N 1 0 399.241 3.058 20 5 GGBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1[N+](=O)[O-] ZINC000595118439 567543682 /nfs/dbraw/zinc/54/36/82/567543682.db2.gz QCMIUUHLCQPDDP-IAQYHMDHSA-N 1 0 389.905 3.085 20 5 GGBDRO CCOCC[N@H+](CC)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000571689517 567582621 /nfs/dbraw/zinc/58/26/21/567582621.db2.gz OROKFAVRQXWECM-UHFFFAOYSA-N 1 0 378.210 3.058 20 5 GGBDRO C[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@@H]1CCC[NH3+] ZINC000595258140 567551225 /nfs/dbraw/zinc/55/12/25/567551225.db2.gz LGQLHVCIUDQYSQ-MLGOLLRUSA-N 1 0 398.301 3.266 20 5 GGBDRO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@H](CO)C(C)(C)C ZINC000571366137 567555962 /nfs/dbraw/zinc/55/59/62/567555962.db2.gz YQVBNXXWHSSJPG-CYBMUJFWSA-N 1 0 392.237 3.038 20 5 GGBDRO C[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1cc[nH]c(=O)c1 ZINC000571534659 567570788 /nfs/dbraw/zinc/57/07/88/567570788.db2.gz WLBDKWMTRZNGDY-VIFPVBQESA-N 1 0 399.188 3.151 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)NCC3([NH3+])CCC3)cc2[N+](=O)[O-])n1 ZINC000571676467 567580959 /nfs/dbraw/zinc/58/09/59/567580959.db2.gz LSMVKQAQGHTZNJ-UHFFFAOYSA-N 1 0 378.479 3.122 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000505606610 567586779 /nfs/dbraw/zinc/58/67/79/567586779.db2.gz KMNOVZCYSHENBL-KRWDZBQOSA-N 1 0 396.285 3.224 20 5 GGBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595935888 567594963 /nfs/dbraw/zinc/59/49/63/567594963.db2.gz JBZBCMKYIGIVLL-CYBMUJFWSA-N 1 0 396.285 3.209 20 5 GGBDRO O=[N+]([O-])c1cccc(Br)c1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000596130117 567610984 /nfs/dbraw/zinc/61/09/84/567610984.db2.gz MGXLWXHPXMXSRU-LBPRGKRZSA-N 1 0 384.274 3.270 20 5 GGBDRO COCCC1([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCC1 ZINC000572170692 567618475 /nfs/dbraw/zinc/61/84/75/567618475.db2.gz DNMFVILXZXHQME-UHFFFAOYSA-N 1 0 390.221 3.248 20 5 GGBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000572348470 567632406 /nfs/dbraw/zinc/63/24/06/567632406.db2.gz MZPOTTTXLDVJJM-CZUORRHYSA-N 1 0 384.274 3.080 20 5 GGBDRO CSc1ccccc1[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000440626768 567635902 /nfs/dbraw/zinc/63/59/02/567635902.db2.gz RJQTWIJEJNPZCF-ZDUSSCGKSA-N 1 0 380.491 3.441 20 5 GGBDRO CC(C)(C)C[C@@H](O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000572446666 567639988 /nfs/dbraw/zinc/63/99/88/567639988.db2.gz BDBYJVUORGBWMW-CYBMUJFWSA-N 1 0 392.237 3.086 20 5 GGBDRO COC1CCC([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000459698974 567651263 /nfs/dbraw/zinc/65/12/63/567651263.db2.gz ZTBAETMUSKWUPH-UHFFFAOYSA-N 1 0 390.221 3.247 20 5 GGBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)c1 ZINC000572631902 567653309 /nfs/dbraw/zinc/65/33/09/567653309.db2.gz LUWYHDPFWPVVSP-OAHLLOKOSA-N 1 0 385.247 3.474 20 5 GGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)c1 ZINC000459709195 567653289 /nfs/dbraw/zinc/65/32/89/567653289.db2.gz TYDSUOLACNYFRD-CQSZACIVSA-N 1 0 397.244 3.437 20 5 GGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000572631897 567653701 /nfs/dbraw/zinc/65/37/01/567653701.db2.gz LLCQLBDJJLIPOL-CQSZACIVSA-N 1 0 385.247 3.474 20 5 GGBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000597605006 567707393 /nfs/dbraw/zinc/70/73/93/567707393.db2.gz MJAOWMJDGQGNQC-ZDUSSCGKSA-N 1 0 384.274 3.222 20 5 GGBDRO Cc1c(Br)cc(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597922649 567724184 /nfs/dbraw/zinc/72/41/84/567724184.db2.gz JYRRLMBFGOJQHT-GFCCVEGCSA-N 1 0 384.274 3.268 20 5 GGBDRO CCC[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000443085526 567730353 /nfs/dbraw/zinc/73/03/53/567730353.db2.gz LADOKEWMVXIQJS-INIZCTEOSA-N 1 0 383.495 3.066 20 5 GGBDRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000554741820 567746213 /nfs/dbraw/zinc/74/62/13/567746213.db2.gz OYDCZRBBWSPPTQ-LLVKDONJSA-N 1 0 392.257 3.256 20 5 GGBDRO CC[C@H](C)[N@H+](C)CCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000554969471 567760112 /nfs/dbraw/zinc/76/01/12/567760112.db2.gz MLHUBZUYIHXBHC-NSHDSACASA-N 1 0 391.253 3.019 20 5 GGBDRO CS(=O)(=O)[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000462072950 567766178 /nfs/dbraw/zinc/76/61/78/567766178.db2.gz UTCYPCBMXUJPPO-INIZCTEOSA-N 1 0 380.491 3.332 20 5 GGBDRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000598543685 567774718 /nfs/dbraw/zinc/77/47/18/567774718.db2.gz WSRQICBTJQMNLW-UHFFFAOYSA-N 1 0 396.285 3.209 20 5 GGBDRO Cc1c(Br)cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000533576530 567776329 /nfs/dbraw/zinc/77/63/29/567776329.db2.gz GAVPVAVACPBHOC-LBPRGKRZSA-N 1 0 384.274 3.126 20 5 GGBDRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000598561336 567776628 /nfs/dbraw/zinc/77/66/28/567776628.db2.gz PUWAIYBCPDQGAB-CYBMUJFWSA-N 1 0 396.285 3.209 20 5 GGBDRO C[C@@H]1C[C@H](C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCO1 ZINC000574488826 567781216 /nfs/dbraw/zinc/78/12/16/567781216.db2.gz JMMCVYWSKSGXMY-GHMZBOCLSA-N 1 0 390.221 3.104 20 5 GGBDRO C[C@H]1C[C@@H](C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCO1 ZINC000574488828 567781354 /nfs/dbraw/zinc/78/13/54/567781354.db2.gz JMMCVYWSKSGXMY-QWRGUYRKSA-N 1 0 390.221 3.104 20 5 GGBDRO CCOCC(C)(C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000555583118 567790102 /nfs/dbraw/zinc/79/01/02/567790102.db2.gz PBINFSDQFLBIBR-UHFFFAOYSA-N 1 0 378.210 3.104 20 5 GGBDRO C[NH+](C)C1(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])CCCCC1 ZINC000598965706 567800673 /nfs/dbraw/zinc/80/06/73/567800673.db2.gz PGZLDOYODZBYMF-UHFFFAOYSA-N 1 0 384.274 3.352 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])c1cccs1 ZINC000598968285 567800809 /nfs/dbraw/zinc/80/08/09/567800809.db2.gz WIEFUCNBXFREMA-GFCCVEGCSA-N 1 0 398.282 3.452 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000598976534 567801740 /nfs/dbraw/zinc/80/17/40/567801740.db2.gz XDKSZUPSRPVUMA-GFCCVEGCSA-N 1 0 384.274 3.352 20 5 GGBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599001986 567802991 /nfs/dbraw/zinc/80/29/91/567802991.db2.gz UHWAZJIJVPBPPT-UHFFFAOYSA-N 1 0 384.274 3.302 20 5 GGBDRO C[C@@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000599065296 567804549 /nfs/dbraw/zinc/80/45/49/567804549.db2.gz KBOZWYYJJVVFOZ-NEPJUHHUSA-N 1 0 384.274 3.350 20 5 GGBDRO C[C@@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000599071143 567805200 /nfs/dbraw/zinc/80/52/00/567805200.db2.gz QYAPQMYXVLQYDJ-RYUDHWBXSA-N 1 0 384.274 3.208 20 5 GGBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599218787 567810252 /nfs/dbraw/zinc/81/02/52/567810252.db2.gz CBKPUGMUEBQMKO-UHFFFAOYSA-N 1 0 384.274 3.304 20 5 GGBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599220936 567811274 /nfs/dbraw/zinc/81/12/74/567811274.db2.gz VCXXWKHXXXLYNF-GFCCVEGCSA-N 1 0 384.274 3.208 20 5 GGBDRO CC1CC[NH+](CCCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000022610423 570323132 /nfs/dbraw/zinc/32/31/32/570323132.db2.gz HEWRQMASWKDMMI-UHFFFAOYSA-N 1 0 391.515 3.393 20 5 GGBDRO COc1ccc([C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[NH+]2CCCC2)cc1 ZINC000006602485 570491916 /nfs/dbraw/zinc/49/19/16/570491916.db2.gz JEYUITOLIIDDCK-HXUWFJFHSA-N 1 0 383.448 3.099 20 5 GGBDRO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000736200941 599168010 /nfs/dbraw/zinc/16/80/10/599168010.db2.gz FPRXUODWQKPHHP-AWEZNQCLSA-N 1 0 393.451 3.412 20 5 GGBDRO C[N@@H+]1CCC[C@@H](CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000821623495 599582234 /nfs/dbraw/zinc/58/22/34/599582234.db2.gz MBRYVEQOBQKTGK-GUYCJALGSA-N 1 0 399.480 3.331 20 5 GGBDRO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000826182220 607519717 /nfs/dbraw/zinc/51/97/17/607519717.db2.gz DPUSRIIRFHDHNK-UHFFFAOYSA-N 1 0 382.424 3.194 20 5 GGBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccccc1 ZINC000820668579 606199217 /nfs/dbraw/zinc/19/92/17/606199217.db2.gz VANMCHRRSUWSHZ-ZBFHGGJFSA-N 1 0 393.451 3.240 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000820761584 606470544 /nfs/dbraw/zinc/47/05/44/606470544.db2.gz XZMWROBTNWSFRN-YOEHRIQHSA-N 1 0 393.451 3.097 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000826500187 607817249 /nfs/dbraw/zinc/81/72/49/607817249.db2.gz NWAAUFOUCOHMDF-UGSOOPFHSA-N 1 0 396.426 3.415 20 5 GGBDRO C[N@@H+]1CC[C@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000826029945 608018771 /nfs/dbraw/zinc/01/87/71/608018771.db2.gz YJPZYXMDCZDQIZ-RDJZCZTQSA-N 1 0 399.842 3.286 20 5 GGBDRO CC[N@H+](CCC1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1)CC1CC1 ZINC000825419155 608197577 /nfs/dbraw/zinc/19/75/77/608197577.db2.gz IZZAAONQBRBKLY-UHFFFAOYSA-N 1 0 399.499 3.113 20 5 GGBDRO Cc1ccc(C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)cc1[N+](=O)[O-] ZINC000826287889 608857524 /nfs/dbraw/zinc/85/75/24/608857524.db2.gz IGYFSLYRJWJWFP-UHFFFAOYSA-N 1 0 376.420 3.373 20 5 GGBDRO C[C@@H](Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824647621 609432201 /nfs/dbraw/zinc/43/22/01/609432201.db2.gz ABAYVNWYDDPFBQ-PBHICJAKSA-N 1 0 393.451 3.097 20 5 GGBDRO O=C(NCc1ccc(F)cc1)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000053050166 1406275103 /nfs/dbraw/zinc/27/51/03/1406275103.db2.gz AZXXOERKIFPQQA-UHFFFAOYSA-N 1 0 385.439 3.305 20 5 GGBDRO C[NH+](C)CC(C)(C)CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000053273085 1406352034 /nfs/dbraw/zinc/35/20/34/1406352034.db2.gz WQKBPKLRWOXBMO-UHFFFAOYSA-N 1 0 390.406 3.120 20 5 GGBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000053318329 1406363509 /nfs/dbraw/zinc/36/35/09/1406363509.db2.gz RDJNKZJDOICZLW-UHFFFAOYSA-N 1 0 383.448 3.063 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000053369764 1406380274 /nfs/dbraw/zinc/38/02/74/1406380274.db2.gz NZYGAKKDGZDRFY-MRXNPFEDSA-N 1 0 385.468 3.165 20 5 GGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000053417530 1406389301 /nfs/dbraw/zinc/38/93/01/1406389301.db2.gz VGKVPFIEDJDNIB-CALCHBBNSA-N 1 0 399.495 3.268 20 5 GGBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000053417331 1406389410 /nfs/dbraw/zinc/38/94/10/1406389410.db2.gz AAEHDMCBHBXAGT-IRXDYDNUSA-N 1 0 376.501 3.271 20 5 GGBDRO Cn1cc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053459219 1406399674 /nfs/dbraw/zinc/39/96/74/1406399674.db2.gz VISHRWQZNGOQHT-QGZVFWFLSA-N 1 0 399.476 3.090 20 5 GGBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000053542160 1406435752 /nfs/dbraw/zinc/43/57/52/1406435752.db2.gz GNYVVEFNLGZKJE-UHFFFAOYSA-N 1 0 397.475 3.371 20 5 GGBDRO Cc1ccc(OCC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)c([N+](=O)[O-])c1 ZINC000053572064 1406446758 /nfs/dbraw/zinc/44/67/58/1406446758.db2.gz IQDIDGWKRUMHBP-UHFFFAOYSA-N 1 0 397.475 3.325 20 5 GGBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000053811676 1406520692 /nfs/dbraw/zinc/52/06/92/1406520692.db2.gz BVJKOYZCGXWVKD-INIZCTEOSA-N 1 0 399.495 3.237 20 5 GGBDRO COc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1[N+](=O)[O-] ZINC000053968013 1406572882 /nfs/dbraw/zinc/57/28/82/1406572882.db2.gz POBPAJWGQFSIAA-UHFFFAOYSA-N 1 0 383.448 3.306 20 5 GGBDRO COc1cccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)[NH+]2CCCC2)c1 ZINC000054056490 1406605751 /nfs/dbraw/zinc/60/57/51/1406605751.db2.gz OVWFURDCCSVKSP-LJQANCHMSA-N 1 0 387.411 3.309 20 5 GGBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)c(C)c2)CC1 ZINC000054149730 1406632774 /nfs/dbraw/zinc/63/27/74/1406632774.db2.gz VWYYAEWTXSMESR-UHFFFAOYSA-N 1 0 386.427 3.437 20 5 GGBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000054286408 1406680619 /nfs/dbraw/zinc/68/06/19/1406680619.db2.gz XXUMQKWNVUIASL-HNNXBMFYSA-N 1 0 385.468 3.021 20 5 GGBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000054287236 1406681752 /nfs/dbraw/zinc/68/17/52/1406681752.db2.gz WUSZBKQSUGMIJT-HNNXBMFYSA-N 1 0 399.495 3.236 20 5 GGBDRO O=C(NC1CC1)c1ccc(N2CCC[N@H+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000054369728 1406706772 /nfs/dbraw/zinc/70/67/72/1406706772.db2.gz UFEQIFJLDIVMJZ-UHFFFAOYSA-N 1 0 394.475 3.199 20 5 GGBDRO Cc1cc(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000054573807 1406772407 /nfs/dbraw/zinc/77/24/07/1406772407.db2.gz RZNNYZYYDPNOAL-UHFFFAOYSA-N 1 0 396.491 3.235 20 5 GGBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000054647344 1406794986 /nfs/dbraw/zinc/79/49/86/1406794986.db2.gz HDVQGDMXXOTPAB-UHFFFAOYSA-N 1 0 382.464 3.233 20 5 GGBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000054646452 1406795175 /nfs/dbraw/zinc/79/51/75/1406795175.db2.gz AFZMYNKTSMBMGD-HXUWFJFHSA-N 1 0 382.464 3.274 20 5 GGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000054646732 1406795246 /nfs/dbraw/zinc/79/52/46/1406795246.db2.gz IGTPSPAKKIQMMG-IAGOWNOFSA-N 1 0 376.501 3.195 20 5 GGBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054646369 1406795315 /nfs/dbraw/zinc/79/53/15/1406795315.db2.gz GXSXLRJDNRIHQU-UHFFFAOYSA-N 1 0 384.480 3.479 20 5 GGBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000054646073 1406795337 /nfs/dbraw/zinc/79/53/37/1406795337.db2.gz VMCXEWZKOQOVNW-UHFFFAOYSA-N 1 0 382.464 3.055 20 5 GGBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000054727638 1406815259 /nfs/dbraw/zinc/81/52/59/1406815259.db2.gz IOTWPMMILAHMMN-IYBDPMFKSA-N 1 0 376.501 3.493 20 5 GGBDRO CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000055241425 1406909815 /nfs/dbraw/zinc/90/98/15/1406909815.db2.gz BPQONMBRQXALPF-UHFFFAOYSA-N 1 0 395.456 3.053 20 5 GGBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c(F)c1 ZINC000055284556 1406920346 /nfs/dbraw/zinc/92/03/46/1406920346.db2.gz KBFKDPBHXMMSDC-UHFFFAOYSA-N 1 0 399.488 3.011 20 5 GGBDRO COc1cccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)[NH+](C)C)c1 ZINC000007684538 1398727828 /nfs/dbraw/zinc/72/78/28/1398727828.db2.gz RNMBHODFDAQIRJ-KRWDZBQOSA-N 1 0 377.828 3.290 20 5 GGBDRO CCOc1cc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000010818389 1398922368 /nfs/dbraw/zinc/92/23/68/1398922368.db2.gz AYGMUVFBNJGHIT-UHFFFAOYSA-N 1 0 379.457 3.041 20 5 GGBDRO CC[NH+](CC)Cc1ccc(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000015140738 1399142276 /nfs/dbraw/zinc/14/22/76/1399142276.db2.gz FVZYWSDOZPRUBL-UHFFFAOYSA-N 1 0 391.493 3.452 20 5 GGBDRO COc1ccccc1[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)[NH+]1CCCC1 ZINC000015690901 1399184737 /nfs/dbraw/zinc/18/47/37/1399184737.db2.gz HPNOBWYUOHUZNJ-LJQANCHMSA-N 1 0 383.448 3.479 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000016599261 1399252053 /nfs/dbraw/zinc/25/20/53/1399252053.db2.gz SJKIJXHYRDBICG-OAQYLSRUSA-N 1 0 396.491 3.230 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000016599305 1399252075 /nfs/dbraw/zinc/25/20/75/1399252075.db2.gz AHSQSBHJSLNZBK-HXUWFJFHSA-N 1 0 382.464 3.228 20 5 GGBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1cccc(OC)c1 ZINC000021071076 1399363654 /nfs/dbraw/zinc/36/36/54/1399363654.db2.gz LFQBCDGLPIMNSN-OAHLLOKOSA-N 1 0 377.466 3.478 20 5 GGBDRO C[NH+]1CCN(c2ccc(CNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cn2)CC1 ZINC000022874668 1399512763 /nfs/dbraw/zinc/51/27/63/1399512763.db2.gz NNYFYJBFGCSABI-UHFFFAOYSA-N 1 0 395.385 3.373 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccsc1 ZINC000023133050 1399534424 /nfs/dbraw/zinc/53/44/24/1399534424.db2.gz ANYBDRMWUFXERF-SFHVURJKSA-N 1 0 388.493 3.289 20 5 GGBDRO COc1ccccc1[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1C)[NH+]1CCCC1 ZINC000023694396 1399579989 /nfs/dbraw/zinc/57/99/89/1399579989.db2.gz LDRLDVJGCUIXGA-IBGZPJMESA-N 1 0 383.448 3.479 20 5 GGBDRO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CCCc2ccccc21 ZINC000023701926 1399580206 /nfs/dbraw/zinc/58/02/06/1399580206.db2.gz CPNOVNCVMGABAB-INIZCTEOSA-N 1 0 383.404 3.271 20 5 GGBDRO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CCCc2ccccc21 ZINC000023701923 1399580303 /nfs/dbraw/zinc/58/03/03/1399580303.db2.gz CPNOVNCVMGABAB-MRXNPFEDSA-N 1 0 383.404 3.271 20 5 GGBDRO COc1cc(C)c(C[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000024805133 1399673594 /nfs/dbraw/zinc/67/35/94/1399673594.db2.gz LERPILHZEBPEDI-UHFFFAOYSA-N 1 0 387.436 3.381 20 5 GGBDRO CC(C)[NH+]1CCC(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000025157216 1399757660 /nfs/dbraw/zinc/75/76/60/1399757660.db2.gz NQOLEBLYDTUBON-INIZCTEOSA-N 1 0 388.512 3.434 20 5 GGBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(NC)c([N+](=O)[O-])c3)c(C)c2)CC1 ZINC000025186913 1399765991 /nfs/dbraw/zinc/76/59/91/1399765991.db2.gz VSENJIZJGCOJLV-UHFFFAOYSA-N 1 0 397.479 3.339 20 5 GGBDRO CC(C)[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000025535873 1399817541 /nfs/dbraw/zinc/81/75/41/1399817541.db2.gz SGHLOLVHGKWUOF-FQEVSTJZSA-N 1 0 397.475 3.173 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1OC ZINC000025813513 1399838531 /nfs/dbraw/zinc/83/85/31/1399838531.db2.gz XTBDZOUZFHESCG-HNNXBMFYSA-N 1 0 393.465 3.096 20 5 GGBDRO C[C@@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000025941280 1399848649 /nfs/dbraw/zinc/84/86/49/1399848649.db2.gz OCIKZOKSEATMED-KRWDZBQOSA-N 1 0 396.491 3.350 20 5 GGBDRO CCOc1ccccc1N1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000026162013 1399865028 /nfs/dbraw/zinc/86/50/28/1399865028.db2.gz MGGSHHRPZQKGJY-UHFFFAOYSA-N 1 0 398.463 3.144 20 5 GGBDRO CCOc1ccc(C[N@H+](C)CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000026223079 1399871164 /nfs/dbraw/zinc/87/11/64/1399871164.db2.gz MQAXLOBFYPMVCT-UHFFFAOYSA-N 1 0 387.436 3.463 20 5 GGBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2ccc(OC)c(F)c2)c([N+](=O)[O-])c1 ZINC000026256670 1399874284 /nfs/dbraw/zinc/87/42/84/1399874284.db2.gz YTSPNSXWWQBEOQ-UHFFFAOYSA-N 1 0 391.399 3.212 20 5 GGBDRO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026335739 1399879119 /nfs/dbraw/zinc/87/91/19/1399879119.db2.gz XOPDTLJPJSGXJI-MRXNPFEDSA-N 1 0 384.354 3.485 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCOc1ccccc1F ZINC000026337138 1399879130 /nfs/dbraw/zinc/87/91/30/1399879130.db2.gz SJTINWOKHUCXQT-UHFFFAOYSA-N 1 0 391.399 3.082 20 5 GGBDRO Cc1c(NC(=O)CC[N@H+](C)CCOc2ccccc2F)cccc1[N+](=O)[O-] ZINC000026337172 1399879583 /nfs/dbraw/zinc/87/95/83/1399879583.db2.gz GCWMJFQKGSJCJH-UHFFFAOYSA-N 1 0 375.400 3.382 20 5 GGBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000026356517 1399882147 /nfs/dbraw/zinc/88/21/47/1399882147.db2.gz QSKMSTTYHIMZEI-UHFFFAOYSA-N 1 0 398.419 3.160 20 5 GGBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000026567287 1399899870 /nfs/dbraw/zinc/89/98/70/1399899870.db2.gz YIZJMPCTKLITLQ-BJMVGYQFSA-N 1 0 380.448 3.307 20 5 GGBDRO Cc1cc(C)n(-c2ccc(C[NH+]3CCN(c4ccc([N+](=O)[O-])nc4)CC3)cc2)n1 ZINC000026595110 1399904944 /nfs/dbraw/zinc/90/49/44/1399904944.db2.gz WOEOFXFQBJYDJR-UHFFFAOYSA-N 1 0 392.463 3.115 20 5 GGBDRO Cc1ccccc1C[NH+]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000026762532 1399931365 /nfs/dbraw/zinc/93/13/65/1399931365.db2.gz NPMZYWZLQCLARH-GOSISDBHSA-N 1 0 396.491 3.356 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000027145384 1399994942 /nfs/dbraw/zinc/99/49/42/1399994942.db2.gz LTWPJLHZMAJPHE-QGZVFWFLSA-N 1 0 377.441 3.245 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000027145381 1399995369 /nfs/dbraw/zinc/99/53/69/1399995369.db2.gz LTWPJLHZMAJPHE-KRWDZBQOSA-N 1 0 377.441 3.245 20 5 GGBDRO COc1cc(C(=O)NCC[NH+](C(C)C)C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000027458366 1400043210 /nfs/dbraw/zinc/04/32/10/1400043210.db2.gz ZQEAEZCWMISHEK-UHFFFAOYSA-N 1 0 389.399 3.053 20 5 GGBDRO COc1ccccc1[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000055752099 1407074053 /nfs/dbraw/zinc/07/40/53/1407074053.db2.gz GZTHMYHEGHJGIB-FQEVSTJZSA-N 1 0 397.475 3.489 20 5 GGBDRO COc1ccccc1[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000055752067 1407074260 /nfs/dbraw/zinc/07/42/60/1407074260.db2.gz PGTNUTAKBAUCQC-FQEVSTJZSA-N 1 0 397.475 3.489 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1cccs1 ZINC000027676126 1400075671 /nfs/dbraw/zinc/07/56/71/1400075671.db2.gz QQTAXWUHKOZJHE-QGZVFWFLSA-N 1 0 388.493 3.289 20 5 GGBDRO COc1ccc(Cl)cc1C[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000027739100 1400084414 /nfs/dbraw/zinc/08/44/14/1400084414.db2.gz ZLHPMOCCYWSESK-INIZCTEOSA-N 1 0 380.828 3.129 20 5 GGBDRO COc1ccc(Cl)cc1C[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000027739094 1400084439 /nfs/dbraw/zinc/08/44/39/1400084439.db2.gz ZLHPMOCCYWSESK-MRXNPFEDSA-N 1 0 380.828 3.129 20 5 GGBDRO CNc1ccc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000027927929 1400106671 /nfs/dbraw/zinc/10/66/71/1400106671.db2.gz UCCZHWJTYCXUPM-UHFFFAOYSA-N 1 0 382.464 3.073 20 5 GGBDRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000028005994 1400117034 /nfs/dbraw/zinc/11/70/34/1400117034.db2.gz UQSMGUVXAVAWEC-UHFFFAOYSA-N 1 0 388.855 3.181 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000028483589 1400169882 /nfs/dbraw/zinc/16/98/82/1400169882.db2.gz PHNOYLWRBPGDKX-IBGZPJMESA-N 1 0 388.443 3.345 20 5 GGBDRO CC(C)NC(=O)c1ccc(N2CC[NH+](CCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000028743667 1400191720 /nfs/dbraw/zinc/19/17/20/1400191720.db2.gz HEDIBWHYPHNPRG-UHFFFAOYSA-N 1 0 396.491 3.098 20 5 GGBDRO COc1ccc(C(=O)NC[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000029173793 1400253931 /nfs/dbraw/zinc/25/39/31/1400253931.db2.gz MLEHTPSMSNTFGA-HXUWFJFHSA-N 1 0 397.475 3.416 20 5 GGBDRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000029179597 1400255272 /nfs/dbraw/zinc/25/52/72/1400255272.db2.gz YZLADXVUBNGUAK-SFHVURJKSA-N 1 0 384.392 3.070 20 5 GGBDRO CC[NH+](CC)[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])c1ccccc1 ZINC000029187270 1400256068 /nfs/dbraw/zinc/25/60/68/1400256068.db2.gz BSVLYQDZLXHCER-LJQANCHMSA-N 1 0 381.436 3.326 20 5 GGBDRO CC(C)[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(F)cc1 ZINC000029198571 1400257102 /nfs/dbraw/zinc/25/71/02/1400257102.db2.gz KULBQGGPAYRUIN-IBGZPJMESA-N 1 0 389.383 3.388 20 5 GGBDRO O=C(NC1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000055900563 1407125070 /nfs/dbraw/zinc/12/50/70/1407125070.db2.gz XRYQZCKDFVAXOK-UHFFFAOYSA-N 1 0 383.448 3.258 20 5 GGBDRO C[C@@H]1CCCN(C(=O)C2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000055902840 1407126860 /nfs/dbraw/zinc/12/68/60/1407126860.db2.gz DXIJCZXKZSMFER-QGZVFWFLSA-N 1 0 389.496 3.334 20 5 GGBDRO O=C(c1ccsc1)N1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055905945 1407128277 /nfs/dbraw/zinc/12/82/77/1407128277.db2.gz MVWPLYNTEJUOSH-UHFFFAOYSA-N 1 0 389.477 3.273 20 5 GGBDRO CC(C)(C)CC[NH+]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000055936331 1407139945 /nfs/dbraw/zinc/13/99/45/1407139945.db2.gz ACNAGJPPINNUET-UHFFFAOYSA-N 1 0 382.892 3.241 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(CCC[NH+](C)C)Cc1ccccc1 ZINC000055968732 1407151925 /nfs/dbraw/zinc/15/19/25/1407151925.db2.gz GLRTXHPDAHZDNT-UHFFFAOYSA-N 1 0 391.493 3.046 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)OCCCO2)c1cccc([N+](=O)[O-])c1 ZINC000056196444 1407247578 /nfs/dbraw/zinc/24/75/78/1407247578.db2.gz AZKXSVKJBSLXRZ-KGLIPLIRSA-N 1 0 385.420 3.434 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056197451 1407247881 /nfs/dbraw/zinc/24/78/81/1407247881.db2.gz KKXYHXZFIGMUCI-NEPJUHHUSA-N 1 0 388.380 3.189 20 5 GGBDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000056332157 1407301238 /nfs/dbraw/zinc/30/12/38/1407301238.db2.gz JMGNZXFWSLXATE-UHFFFAOYSA-N 1 0 383.404 3.214 20 5 GGBDRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1csc([N+](=O)[O-])c1 ZINC000056479595 1407344491 /nfs/dbraw/zinc/34/44/91/1407344491.db2.gz FAUCKHQQIJAUAC-UHFFFAOYSA-N 1 0 386.477 3.441 20 5 GGBDRO CC1CCN(C(=O)C2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000056495038 1407347831 /nfs/dbraw/zinc/34/78/31/1407347831.db2.gz YIMXHJYNXKDUJF-UHFFFAOYSA-N 1 0 389.496 3.334 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000043121827 1403712911 /nfs/dbraw/zinc/71/29/11/1403712911.db2.gz MIFZSGCTMMIVBE-CQSZACIVSA-N 1 0 384.436 3.172 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438855 1403934066 /nfs/dbraw/zinc/93/40/66/1403934066.db2.gz GGEIARVSSSUDJZ-UHFFFAOYSA-N 1 0 379.363 3.342 20 5 GGBDRO COc1ccccc1[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000044867687 1404014392 /nfs/dbraw/zinc/01/43/92/1404014392.db2.gz LXEUFXTZFJNCEG-OAHLLOKOSA-N 1 0 375.450 3.232 20 5 GGBDRO CC[C@@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000045625280 1404165240 /nfs/dbraw/zinc/16/52/40/1404165240.db2.gz RYVIDBLYMRFGTJ-IBGZPJMESA-N 1 0 382.464 3.231 20 5 GGBDRO COc1ccc(C[N@@H+]2CCCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)cc1 ZINC000045683357 1404176901 /nfs/dbraw/zinc/17/69/01/1404176901.db2.gz AMYQNRKXBALLMC-UHFFFAOYSA-N 1 0 386.408 3.224 20 5 GGBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[NH+](C2CCCC2)CC1 ZINC000045770676 1404199879 /nfs/dbraw/zinc/19/98/79/1404199879.db2.gz KQRZYNGRWFVDCI-UHFFFAOYSA-N 1 0 386.496 3.286 20 5 GGBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000045820021 1404215023 /nfs/dbraw/zinc/21/50/23/1404215023.db2.gz TUBYIRHTLJJNKM-SFHVURJKSA-N 1 0 386.452 3.333 20 5 GGBDRO CCOc1cc(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000045830878 1404218010 /nfs/dbraw/zinc/21/80/10/1404218010.db2.gz YKMUFSVMZISQHF-KRWDZBQOSA-N 1 0 393.484 3.242 20 5 GGBDRO CC(C)(C)c1ccc(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000046047631 1404283864 /nfs/dbraw/zinc/28/38/64/1404283864.db2.gz WOTCZBKPXKEYMI-QGZVFWFLSA-N 1 0 389.496 3.219 20 5 GGBDRO CC(C)(C)c1ccc(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000046047628 1404283975 /nfs/dbraw/zinc/28/39/75/1404283975.db2.gz WOTCZBKPXKEYMI-KRWDZBQOSA-N 1 0 389.496 3.219 20 5 GGBDRO CC(C)[C@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000046254502 1404347027 /nfs/dbraw/zinc/34/70/27/1404347027.db2.gz PDOVPNIGQVUOLY-IBGZPJMESA-N 1 0 376.501 3.493 20 5 GGBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000046320992 1404363818 /nfs/dbraw/zinc/36/38/18/1404363818.db2.gz PYAAQSIKJPZDOV-UHFFFAOYSA-N 1 0 383.448 3.276 20 5 GGBDRO C[NH+](C)Cc1cccc(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000046379173 1404389959 /nfs/dbraw/zinc/38/99/59/1404389959.db2.gz YBWVYOJCBQRUJS-UHFFFAOYSA-N 1 0 382.464 3.187 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000046576073 1404489782 /nfs/dbraw/zinc/48/97/82/1404489782.db2.gz FOFVYPTWTZTNSH-KRWDZBQOSA-N 1 0 397.475 3.235 20 5 GGBDRO Cc1cccc(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000046623607 1404516330 /nfs/dbraw/zinc/51/63/30/1404516330.db2.gz IMOQAMLBUGNKQW-IAGOWNOFSA-N 1 0 397.475 3.442 20 5 GGBDRO CCOc1cc(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000046991507 1404666065 /nfs/dbraw/zinc/66/60/65/1404666065.db2.gz QJPUJZSHPTWXFX-HNNXBMFYSA-N 1 0 393.484 3.244 20 5 GGBDRO C[C@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000047004073 1404670939 /nfs/dbraw/zinc/67/09/39/1404670939.db2.gz DHXQUPRGYFPWAL-MRXNPFEDSA-N 1 0 382.464 3.183 20 5 GGBDRO CCOC(=O)c1cc(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000047213926 1404750404 /nfs/dbraw/zinc/75/04/04/1404750404.db2.gz PFDFFNVCOWZVDG-HNNXBMFYSA-N 1 0 391.468 3.013 20 5 GGBDRO C[NH+](C)CCOc1cccc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000047673073 1404890881 /nfs/dbraw/zinc/89/08/81/1404890881.db2.gz ACIIDLUAYQUNHG-UHFFFAOYSA-N 1 0 377.828 3.119 20 5 GGBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[NH+](C2CCCC2)CC1 ZINC000047865434 1404977386 /nfs/dbraw/zinc/97/73/86/1404977386.db2.gz WZQUIWLPHMDJON-UHFFFAOYSA-N 1 0 384.383 3.288 20 5 GGBDRO C[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C[NH+]1CCCCC1 ZINC000048095617 1405052536 /nfs/dbraw/zinc/05/25/36/1405052536.db2.gz XKPOLGOYIJLNJM-LBPRGKRZSA-N 1 0 386.399 3.440 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1OC ZINC000048267651 1405120867 /nfs/dbraw/zinc/12/08/67/1405120867.db2.gz SKUCERSVQIDJFT-HUUCEWRRSA-N 1 0 393.484 3.100 20 5 GGBDRO C[C@@H]1CCC[N@H+](Cc2csc(=NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)[nH]2)C1 ZINC000048315800 1405140847 /nfs/dbraw/zinc/14/08/47/1405140847.db2.gz CPJQEXIYXKUENQ-GFCCVEGCSA-N 1 0 399.476 3.439 20 5 GGBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000048315435 1405141444 /nfs/dbraw/zinc/14/14/44/1405141444.db2.gz OJCOHAMQKKYALX-UHFFFAOYSA-N 1 0 378.432 3.424 20 5 GGBDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000048849786 1405307118 /nfs/dbraw/zinc/30/71/18/1405307118.db2.gz HZLQWSVEPNFFBN-IBGZPJMESA-N 1 0 398.463 3.041 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(C[NH+](CC)CC)CC2)cc1OC ZINC000049076539 1405338204 /nfs/dbraw/zinc/33/82/04/1405338204.db2.gz SULIOQSNPBIIMJ-UHFFFAOYSA-N 1 0 393.484 3.196 20 5 GGBDRO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000049976955 1405438959 /nfs/dbraw/zinc/43/89/59/1405438959.db2.gz OJBNXAYKTCCTCU-UHFFFAOYSA-N 1 0 394.475 3.153 20 5 GGBDRO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000051406820 1405806045 /nfs/dbraw/zinc/80/60/45/1405806045.db2.gz KMIATSBBPYHMBB-MRXNPFEDSA-N 1 0 384.354 3.485 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CC[NH+](CCc4ccccc4)CC3)n2)cc1 ZINC000052324961 1406020144 /nfs/dbraw/zinc/02/01/44/1406020144.db2.gz XCVLBWCVVMVKNG-UHFFFAOYSA-N 1 0 393.447 3.005 20 5 GGBDRO C[NH+](C)[C@@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000052486086 1406063128 /nfs/dbraw/zinc/06/31/28/1406063128.db2.gz QBUUGYFKOCZCAU-IBGZPJMESA-N 1 0 386.427 3.341 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000052713518 1406134140 /nfs/dbraw/zinc/13/41/40/1406134140.db2.gz SEWNSVWMFXNHMA-UHFFFAOYSA-N 1 0 388.512 3.430 20 5 GGBDRO C[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000056849070 1407455149 /nfs/dbraw/zinc/45/51/49/1407455149.db2.gz QUQAFZZEUAWSCJ-AWEZNQCLSA-N 1 0 378.432 3.253 20 5 GGBDRO O=[N+]([O-])c1ccc(Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)nc1 ZINC000057151077 1407536675 /nfs/dbraw/zinc/53/66/75/1407536675.db2.gz DNLXQDMGPWQINN-UHFFFAOYSA-N 1 0 390.447 3.451 20 5 GGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000057156375 1407538751 /nfs/dbraw/zinc/53/87/51/1407538751.db2.gz VKHZSWDXCZBCJY-INIZCTEOSA-N 1 0 376.501 3.435 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000057702350 1407691698 /nfs/dbraw/zinc/69/16/98/1407691698.db2.gz WFYCZIZPABDCRM-LSDHHAIUSA-N 1 0 397.479 3.375 20 5 GGBDRO COc1ccc(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000058015364 1407770607 /nfs/dbraw/zinc/77/06/07/1407770607.db2.gz UDRWZHIVGRJWBS-UHFFFAOYSA-N 1 0 375.469 3.332 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000058297542 1407808919 /nfs/dbraw/zinc/80/89/19/1407808919.db2.gz DAWUXSXFLSFBDM-INIZCTEOSA-N 1 0 385.468 3.165 20 5 GGBDRO CCOc1cc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000058936289 1407901376 /nfs/dbraw/zinc/90/13/76/1407901376.db2.gz DPMOWCKMCJTYCS-UHFFFAOYSA-N 1 0 391.468 3.093 20 5 GGBDRO CCOc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000059000683 1407910428 /nfs/dbraw/zinc/91/04/28/1407910428.db2.gz BQQZMOHAMNONQP-UHFFFAOYSA-N 1 0 389.427 3.337 20 5 GGBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000059001069 1407910949 /nfs/dbraw/zinc/91/09/49/1407910949.db2.gz ZAMWZCCFEZFKFM-UHFFFAOYSA-N 1 0 384.411 3.419 20 5 GGBDRO CCOC(=O)c1cc(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000059890427 1407928037 /nfs/dbraw/zinc/92/80/37/1407928037.db2.gz QMEDAXMJWONIRN-XOBRGWDASA-N 1 0 391.468 3.012 20 5 GGBDRO C[C@H]1CCC[C@@](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000059922052 1407929535 /nfs/dbraw/zinc/92/95/35/1407929535.db2.gz GEFSIFULQKOZPW-HRAATJIYSA-N 1 0 388.512 3.435 20 5 GGBDRO C[C@H]1CCC[C@](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000059922069 1407929584 /nfs/dbraw/zinc/92/95/84/1407929584.db2.gz GEFSIFULQKOZPW-KKSFZXQISA-N 1 0 388.512 3.435 20 5 GGBDRO COc1ccc(C[NH+]2CCC(CNC(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000060185786 1407946012 /nfs/dbraw/zinc/94/60/12/1407946012.db2.gz BVGWQIIFTMLXLJ-UHFFFAOYSA-N 1 0 383.448 3.245 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)c1 ZINC000060238639 1407948432 /nfs/dbraw/zinc/94/84/32/1407948432.db2.gz ZBZHHNFKDPIIJK-HXUWFJFHSA-N 1 0 383.448 3.479 20 5 GGBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000060369955 1407963773 /nfs/dbraw/zinc/96/37/73/1407963773.db2.gz UASXOMFYPYSXNB-MRXNPFEDSA-N 1 0 384.436 3.118 20 5 GGBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCCC[NH+]2CCC(C)CC2)cc1C ZINC000060500048 1407991685 /nfs/dbraw/zinc/99/16/85/1407991685.db2.gz ZJKZWOOQARCKSZ-UHFFFAOYSA-N 1 0 383.514 3.002 20 5 GGBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000060624427 1408013894 /nfs/dbraw/zinc/01/38/94/1408013894.db2.gz SKELCDLXHDJZTA-MRXNPFEDSA-N 1 0 376.501 3.435 20 5 GGBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCC[NH+]3CCCCC3)cc2[N+](=O)[O-])C1 ZINC000060665175 1408019752 /nfs/dbraw/zinc/01/97/52/1408019752.db2.gz HGKGBBCVHAAFAL-CALCHBBNSA-N 1 0 388.512 3.293 20 5 GGBDRO Cc1ccc([C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[NH+]2CCCC2)cc1 ZINC000060920476 1408051242 /nfs/dbraw/zinc/05/12/42/1408051242.db2.gz ABDCPLDKCGKMDN-LJQANCHMSA-N 1 0 389.477 3.019 20 5 GGBDRO O=C(COc1ccccc1[N+](=O)[O-])NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061569197 1408147955 /nfs/dbraw/zinc/14/79/55/1408147955.db2.gz CAPPJIBUAYOGBO-UHFFFAOYSA-N 1 0 389.477 3.064 20 5 GGBDRO CCN(C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1)CC(F)(F)F ZINC000176398201 1428301175 /nfs/dbraw/zinc/30/11/75/1428301175.db2.gz FWTPKYLLSSMCEE-ZDUSSCGKSA-N 1 0 375.391 3.310 20 5 GGBDRO CCN(C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000176396288 1428300287 /nfs/dbraw/zinc/30/02/87/1428300287.db2.gz KDGLNOBQIWTDLB-AWEZNQCLSA-N 1 0 375.391 3.180 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c1 ZINC000062281425 1408228909 /nfs/dbraw/zinc/22/89/09/1408228909.db2.gz YHRBIGNNTSFAQL-UHFFFAOYSA-N 1 0 375.469 3.332 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000062368012 1408244825 /nfs/dbraw/zinc/24/48/25/1408244825.db2.gz DGCJTDVBIVDFTL-UHFFFAOYSA-N 1 0 390.415 3.338 20 5 GGBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000063069422 1408300708 /nfs/dbraw/zinc/30/07/08/1408300708.db2.gz MEAPCKZHFKXPMV-UHFFFAOYSA-N 1 0 386.427 3.198 20 5 GGBDRO CCN(C[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1)CC(F)(F)F ZINC000176408832 1428307442 /nfs/dbraw/zinc/30/74/42/1428307442.db2.gz SDMHQUGXRNILIB-CQSZACIVSA-N 1 0 375.391 3.180 20 5 GGBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063272011 1408327346 /nfs/dbraw/zinc/32/73/46/1408327346.db2.gz ZJNZNUDQFPFCSN-UHFFFAOYSA-N 1 0 384.480 3.320 20 5 GGBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000063490103 1408362751 /nfs/dbraw/zinc/36/27/51/1408362751.db2.gz PUQGVKZHETYNAQ-QGZVFWFLSA-N 1 0 377.488 3.001 20 5 GGBDRO C[C@H](C(=O)OC(C)(C)C)N(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000176421972 1428314298 /nfs/dbraw/zinc/31/42/98/1428314298.db2.gz MIGQKMIEGASAOT-CYBMUJFWSA-N 1 0 375.425 3.454 20 5 GGBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000063728173 1408397864 /nfs/dbraw/zinc/39/78/64/1408397864.db2.gz POHNEYCAQMUNCK-ZDUSSCGKSA-N 1 0 383.876 3.348 20 5 GGBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCCCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000063758515 1408403074 /nfs/dbraw/zinc/40/30/74/1408403074.db2.gz XOLBJMCVHYXJDX-UHFFFAOYSA-N 1 0 378.429 3.053 20 5 GGBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000063758457 1408403129 /nfs/dbraw/zinc/40/31/29/1408403129.db2.gz HHVDXKBPZBSFBP-CYBMUJFWSA-N 1 0 378.429 3.053 20 5 GGBDRO C[C@@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000064113308 1408485615 /nfs/dbraw/zinc/48/56/15/1408485615.db2.gz LEJXYPGTAZORNW-CABCVRRESA-N 1 0 385.468 3.092 20 5 GGBDRO Cc1c(CO)cc([N+](=O)[O-])c(N2CC[NH+](CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000064129155 1408491279 /nfs/dbraw/zinc/49/12/79/1408491279.db2.gz CQHZPKIIRJPWLW-UHFFFAOYSA-N 1 0 392.456 3.006 20 5 GGBDRO O=[N+]([O-])c1cc(CN2CC[NH+](CC3CCCCC3)CC2)c2c(c1)COCO2 ZINC000064129851 1408491364 /nfs/dbraw/zinc/49/13/64/1408491364.db2.gz SCTJBMHFHZKFFT-UHFFFAOYSA-N 1 0 375.469 3.159 20 5 GGBDRO CC(C)(C)CC[NH+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000064308988 1408531949 /nfs/dbraw/zinc/53/19/49/1408531949.db2.gz FYGWKJUHUGIQST-UHFFFAOYSA-N 1 0 376.501 3.367 20 5 GGBDRO COc1ccc(CSCC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000064312018 1408532393 /nfs/dbraw/zinc/53/23/93/1408532393.db2.gz ZWVOGLSTKSNQCG-CABCVRRESA-N 1 0 395.525 3.073 20 5 GGBDRO CC(C)[NH+]1CCC(N(C)C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000064419745 1408550173 /nfs/dbraw/zinc/55/01/73/1408550173.db2.gz UDBBJCJHMBKRSD-ZDUSSCGKSA-N 1 0 383.876 3.347 20 5 GGBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000064421315 1408551009 /nfs/dbraw/zinc/55/10/09/1408551009.db2.gz MAGGICIMLFLOHE-CQSZACIVSA-N 1 0 391.855 3.264 20 5 GGBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000064721458 1408600651 /nfs/dbraw/zinc/60/06/51/1408600651.db2.gz GLJLYDSLWFNWPD-CYBMUJFWSA-N 1 0 383.876 3.396 20 5 GGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000064725658 1408601769 /nfs/dbraw/zinc/60/17/69/1408601769.db2.gz JTUFAESDSWUOES-SOLBZPMBSA-N 1 0 397.479 3.258 20 5 GGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000064735737 1408604367 /nfs/dbraw/zinc/60/43/67/1408604367.db2.gz IOAHFBDWTGFCAD-FCEWJHQRSA-N 1 0 397.479 3.258 20 5 GGBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000064739899 1408605523 /nfs/dbraw/zinc/60/55/23/1408605523.db2.gz MSWCNQBTSZCESL-LJISPDSOSA-N 1 0 397.903 3.498 20 5 GGBDRO Cn1cc(C(=O)NCCC[N@H+](C)C2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064821992 1408616019 /nfs/dbraw/zinc/61/60/19/1408616019.db2.gz HAYLTCUUHWQKFA-UHFFFAOYSA-N 1 0 399.495 3.380 20 5 GGBDRO CC[NH+](CC)[C@@H](CNc1ccc(C(=O)NC)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000064905872 1408627086 /nfs/dbraw/zinc/62/70/86/1408627086.db2.gz SQZKVYHJOOQQOZ-GOSISDBHSA-N 1 0 384.480 3.319 20 5 GGBDRO CCc1cc(NC[C@@H](C(C)C)[NH+]2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064905620 1408627435 /nfs/dbraw/zinc/62/74/35/1408627435.db2.gz AZPQGOYSOHRCAO-IBGZPJMESA-N 1 0 399.495 3.383 20 5 GGBDRO CC[NH+](CC)[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1ccc(C(F)(F)F)cc1 ZINC000064947771 1408630533 /nfs/dbraw/zinc/63/05/33/1408630533.db2.gz KKFZUNONRCUADU-ZDUSSCGKSA-N 1 0 398.389 3.481 20 5 GGBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1C ZINC000064960225 1408632402 /nfs/dbraw/zinc/63/24/02/1408632402.db2.gz TWMXSCSTBXOFLX-ZDUSSCGKSA-N 1 0 383.514 3.000 20 5 GGBDRO CC[NH+](CC)[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccco1 ZINC000065302332 1408660325 /nfs/dbraw/zinc/66/03/25/1408660325.db2.gz ZJHPGUJKOBOIND-OAHLLOKOSA-N 1 0 376.413 3.401 20 5 GGBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000065323461 1408661105 /nfs/dbraw/zinc/66/11/05/1408661105.db2.gz FPNODKGFTFLHGD-INIZCTEOSA-N 1 0 386.477 3.419 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000065496778 1408679226 /nfs/dbraw/zinc/67/92/26/1408679226.db2.gz APVAOEUFGPAEIT-IBGZPJMESA-N 1 0 388.443 3.345 20 5 GGBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000065510564 1408681257 /nfs/dbraw/zinc/68/12/57/1408681257.db2.gz SGJHBJGPEDBYFW-UHFFFAOYSA-N 1 0 388.512 3.435 20 5 GGBDRO CC[C@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000065511740 1408681459 /nfs/dbraw/zinc/68/14/59/1408681459.db2.gz NUZOYKIWOMSWMW-HXUWFJFHSA-N 1 0 396.491 3.273 20 5 GGBDRO CC(C)[C@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCCC1 ZINC000065510832 1408681468 /nfs/dbraw/zinc/68/14/68/1408681468.db2.gz OLTILJMIVDDCIZ-IBGZPJMESA-N 1 0 376.501 3.337 20 5 GGBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000065521843 1408683679 /nfs/dbraw/zinc/68/36/79/1408683679.db2.gz CRQQEBICXWAEEX-AEFFLSMTSA-N 1 0 397.479 3.141 20 5 GGBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000065761294 1408725255 /nfs/dbraw/zinc/72/52/55/1408725255.db2.gz RMKWTPIYOLREFK-OAGGEKHMSA-N 1 0 399.495 3.092 20 5 GGBDRO CC(C)[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000065866103 1408744361 /nfs/dbraw/zinc/74/43/61/1408744361.db2.gz CPFHWYNQIUTHJY-OAQYLSRUSA-N 1 0 396.491 3.206 20 5 GGBDRO CC[NH+](CC)[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000065866877 1408744846 /nfs/dbraw/zinc/74/48/46/1408744846.db2.gz JUSLBYQVUSDSPF-KRWDZBQOSA-N 1 0 376.482 3.268 20 5 GGBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000065901458 1408750681 /nfs/dbraw/zinc/75/06/81/1408750681.db2.gz LCHCGGHOEKFJME-GOSISDBHSA-N 1 0 382.464 3.035 20 5 GGBDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000065937274 1408757970 /nfs/dbraw/zinc/75/79/70/1408757970.db2.gz OVPOEDQOEWXTRM-UHFFFAOYSA-N 1 0 391.855 3.217 20 5 GGBDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)cccc1[N+](=O)[O-] ZINC000065938236 1408758636 /nfs/dbraw/zinc/75/86/36/1408758636.db2.gz QTOLWAXDANWSOU-UHFFFAOYSA-N 1 0 377.391 3.385 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000065938417 1408759390 /nfs/dbraw/zinc/75/93/90/1408759390.db2.gz XUOIUCDLWMSQKG-UHFFFAOYSA-N 1 0 377.391 3.385 20 5 GGBDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000065938621 1408759422 /nfs/dbraw/zinc/75/94/22/1408759422.db2.gz VCHMWUWFZKJDIA-UHFFFAOYSA-N 1 0 377.391 3.385 20 5 GGBDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000065939348 1408760001 /nfs/dbraw/zinc/76/00/01/1408760001.db2.gz HJYYJYBLPGXOOU-UHFFFAOYSA-N 1 0 398.438 3.279 20 5 GGBDRO O=C(NC1CCCCC1)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065964137 1408763406 /nfs/dbraw/zinc/76/34/06/1408763406.db2.gz NDGGIXDDTZUFPN-UHFFFAOYSA-N 1 0 375.469 3.135 20 5 GGBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c1 ZINC000066303003 1408807805 /nfs/dbraw/zinc/80/78/05/1408807805.db2.gz HPYSLZBESMVZFS-UHFFFAOYSA-N 1 0 385.420 3.460 20 5 GGBDRO CC(=O)c1cccc(OC[C@@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000066484014 1408845353 /nfs/dbraw/zinc/84/53/53/1408845353.db2.gz MVUQSBHEENNWRB-FQEVSTJZSA-N 1 0 386.448 3.448 20 5 GGBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c1 ZINC000066618123 1408869396 /nfs/dbraw/zinc/86/93/96/1408869396.db2.gz VFUKSJFJIHBRFW-UHFFFAOYSA-N 1 0 399.447 3.138 20 5 GGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000066726051 1408894977 /nfs/dbraw/zinc/89/49/77/1408894977.db2.gz AWYQWGOUKFJJLT-UHFFFAOYSA-N 1 0 385.464 3.474 20 5 GGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000066795620 1408917409 /nfs/dbraw/zinc/91/74/09/1408917409.db2.gz KSZRJSSAPMKKLK-UHFFFAOYSA-N 1 0 394.479 3.395 20 5 GGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000066935359 1408957049 /nfs/dbraw/zinc/95/70/49/1408957049.db2.gz ZDXGTGFKFTYVST-UHFFFAOYSA-N 1 0 391.493 3.176 20 5 GGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000066935396 1408957074 /nfs/dbraw/zinc/95/70/74/1408957074.db2.gz BMSVVYFIQVKRGO-UHFFFAOYSA-N 1 0 391.493 3.176 20 5 GGBDRO COc1nc(C)cc(C)c1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000067011557 1408980538 /nfs/dbraw/zinc/98/05/38/1408980538.db2.gz CALIBVRQWLIXMO-UHFFFAOYSA-N 1 0 381.436 3.306 20 5 GGBDRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3C)cc2)CC1 ZINC000067163553 1409029160 /nfs/dbraw/zinc/02/91/60/1409029160.db2.gz OYLDVTSAJZSREH-UHFFFAOYSA-N 1 0 382.464 3.293 20 5 GGBDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000176579085 1428369690 /nfs/dbraw/zinc/36/96/90/1428369690.db2.gz HNSHLHCEVCAFAO-MAUKXSAKSA-N 1 0 383.448 3.386 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)c1 ZINC000067203008 1409040819 /nfs/dbraw/zinc/04/08/19/1409040819.db2.gz ZQSUTRIGHIUWFJ-MRXNPFEDSA-N 1 0 375.469 3.378 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000067204708 1409041365 /nfs/dbraw/zinc/04/13/65/1409041365.db2.gz YMSJZJVPXNIUEL-UHFFFAOYSA-N 1 0 396.491 3.235 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000176582040 1428370478 /nfs/dbraw/zinc/37/04/78/1428370478.db2.gz NOKLYEKFURAFFU-RDJZCZTQSA-N 1 0 383.448 3.386 20 5 GGBDRO COc1ccc(C[NH2+]Cc2cnn(C)c2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000067223365 1409046823 /nfs/dbraw/zinc/04/68/23/1409046823.db2.gz QSHXUPJYQMLNGW-UHFFFAOYSA-N 1 0 382.420 3.206 20 5 GGBDRO COc1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000067361747 1409085045 /nfs/dbraw/zinc/08/50/45/1409085045.db2.gz GZEWHSHURJVETK-KRWDZBQOSA-N 1 0 383.448 3.245 20 5 GGBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000067361835 1409085879 /nfs/dbraw/zinc/08/58/79/1409085879.db2.gz BEJBWWCTXYKSHT-GOSISDBHSA-N 1 0 383.448 3.002 20 5 GGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000067452308 1409122352 /nfs/dbraw/zinc/12/23/52/1409122352.db2.gz BDFNTWAAXLCOCK-KSSFIOAISA-N 1 0 399.447 3.458 20 5 GGBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000067536252 1409150860 /nfs/dbraw/zinc/15/08/60/1409150860.db2.gz JIULIMSRDAAYSB-UHFFFAOYSA-N 1 0 382.464 3.101 20 5 GGBDRO COc1ccc([C@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000067536718 1409150867 /nfs/dbraw/zinc/15/08/67/1409150867.db2.gz KVQDZZSYCVVZQL-FQEVSTJZSA-N 1 0 398.463 3.240 20 5 GGBDRO COc1ccc([C@@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000067536717 1409151231 /nfs/dbraw/zinc/15/12/31/1409151231.db2.gz KVQDZZSYCVVZQL-HXUWFJFHSA-N 1 0 398.463 3.240 20 5 GGBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(OC)ccc3[N+](=O)[O-])c(C)c2)CC1 ZINC000067538736 1409152178 /nfs/dbraw/zinc/15/21/78/1409152178.db2.gz JSQWFQLKEPWSJK-UHFFFAOYSA-N 1 0 398.463 3.306 20 5 GGBDRO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000067570066 1409169576 /nfs/dbraw/zinc/16/95/76/1409169576.db2.gz KFLUSLLHBRLSTJ-SFHVURJKSA-N 1 0 382.464 3.306 20 5 GGBDRO COc1ccccc1[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000067725832 1409215350 /nfs/dbraw/zinc/21/53/50/1409215350.db2.gz DVJOGZSHIIQOOO-IBGZPJMESA-N 1 0 398.463 3.240 20 5 GGBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000176627787 1428384272 /nfs/dbraw/zinc/38/42/72/1428384272.db2.gz QWUMAPKIEBPRAN-QGZVFWFLSA-N 1 0 390.484 3.022 20 5 GGBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000067793895 1409232894 /nfs/dbraw/zinc/23/28/94/1409232894.db2.gz BZZDMUAAXAVMJA-GOSISDBHSA-N 1 0 383.448 3.145 20 5 GGBDRO CC[NH+](CC)Cc1ccc(CNC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000067901622 1409252709 /nfs/dbraw/zinc/25/27/09/1409252709.db2.gz KYEJNMMKPRHZEB-UHFFFAOYSA-N 1 0 385.464 3.304 20 5 GGBDRO COc1ccc(CC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000067915792 1409255127 /nfs/dbraw/zinc/25/51/27/1409255127.db2.gz YVYFSRDQEZHMEP-FQEVSTJZSA-N 1 0 397.475 3.408 20 5 GGBDRO O=C(CC[NH+]1CCC([C@H](O)c2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000067962481 1409264893 /nfs/dbraw/zinc/26/48/93/1409264893.db2.gz CSYGGRACHJAOBX-OAQYLSRUSA-N 1 0 383.448 3.369 20 5 GGBDRO C[C@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC000067979292 1409269385 /nfs/dbraw/zinc/26/93/85/1409269385.db2.gz XLBGPIGJQQFAPG-HOTGVXAUSA-N 1 0 383.448 3.134 20 5 GGBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1 ZINC000067991043 1409271837 /nfs/dbraw/zinc/27/18/37/1409271837.db2.gz YKGJXHKDYORSNV-UHFFFAOYSA-N 1 0 392.362 3.016 20 5 GGBDRO Cc1c(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000068085189 1409295516 /nfs/dbraw/zinc/29/55/16/1409295516.db2.gz QTUWAKXQXNTNEY-ZDUSSCGKSA-N 1 0 378.429 3.053 20 5 GGBDRO COc1ccc(CSCC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000068118603 1409307745 /nfs/dbraw/zinc/30/77/45/1409307745.db2.gz JUUZFYFDHMTFIZ-CABCVRRESA-N 1 0 395.525 3.073 20 5 GGBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000068131889 1409310418 /nfs/dbraw/zinc/31/04/18/1409310418.db2.gz JUFSREYQFYNZIR-GOEBONIOSA-N 1 0 395.887 3.492 20 5 GGBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000068131892 1409310506 /nfs/dbraw/zinc/31/05/06/1409310506.db2.gz JUFSREYQFYNZIR-ZBFHGGJFSA-N 1 0 395.887 3.492 20 5 GGBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000068131891 1409310581 /nfs/dbraw/zinc/31/05/81/1409310581.db2.gz JUFSREYQFYNZIR-HOCLYGCPSA-N 1 0 395.887 3.492 20 5 GGBDRO CC[N@H+](Cc1ccc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)cc1)C1CC1 ZINC000068183720 1409325469 /nfs/dbraw/zinc/32/54/69/1409325469.db2.gz QLTYZZZHKVDMMM-UHFFFAOYSA-N 1 0 383.448 3.388 20 5 GGBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)C3CC[NH+](C)CC3)cc2[N+](=O)[O-])C1 ZINC000068192836 1409327527 /nfs/dbraw/zinc/32/75/27/1409327527.db2.gz KCPFOYICPRVXIW-HOTGVXAUSA-N 1 0 388.512 3.243 20 5 GGBDRO C[C@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000068219200 1409333538 /nfs/dbraw/zinc/33/35/38/1409333538.db2.gz LPCBIENDDCKMBZ-OAHLLOKOSA-N 1 0 382.464 3.419 20 5 GGBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000068265781 1409345834 /nfs/dbraw/zinc/34/58/34/1409345834.db2.gz SUMSJYMCKAQMSZ-AWEZNQCLSA-N 1 0 383.876 3.254 20 5 GGBDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000068291787 1409354496 /nfs/dbraw/zinc/35/44/96/1409354496.db2.gz VYGCRUWYCVRLSH-UHFFFAOYSA-N 1 0 385.342 3.411 20 5 GGBDRO COc1ccc(CC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000068386473 1409386863 /nfs/dbraw/zinc/38/68/63/1409386863.db2.gz NMXABBNOIZUKJV-OAHLLOKOSA-N 1 0 385.464 3.392 20 5 GGBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC000068387429 1409387370 /nfs/dbraw/zinc/38/73/70/1409387370.db2.gz FGGCEWIREISJOS-AWEZNQCLSA-N 1 0 389.427 3.358 20 5 GGBDRO Cc1c(NC(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000068555639 1409437742 /nfs/dbraw/zinc/43/77/42/1409437742.db2.gz AQFDSUQBPKWAGX-GJZGRUSLSA-N 1 0 390.484 3.256 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000068555197 1409437802 /nfs/dbraw/zinc/43/78/02/1409437802.db2.gz GVFSVTHXXWWNAG-IYBDPMFKSA-N 1 0 390.484 3.256 20 5 GGBDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000068926919 1409526264 /nfs/dbraw/zinc/52/62/64/1409526264.db2.gz SYATVIAUMQUQRK-UHFFFAOYSA-N 1 0 395.463 3.108 20 5 GGBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000069001592 1409540561 /nfs/dbraw/zinc/54/05/61/1409540561.db2.gz UBHRVXDZPNCHSL-MRXNPFEDSA-N 1 0 399.495 3.181 20 5 GGBDRO COc1ccc(CSCC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000069035846 1409549283 /nfs/dbraw/zinc/54/92/83/1409549283.db2.gz HCDADRWPCWRJRJ-INIZCTEOSA-N 1 0 395.525 3.073 20 5 GGBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000069040758 1409550589 /nfs/dbraw/zinc/55/05/89/1409550589.db2.gz KSKIYFXDWSCPFW-UHFFFAOYSA-N 1 0 398.463 3.069 20 5 GGBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000069369062 1409623634 /nfs/dbraw/zinc/62/36/34/1409623634.db2.gz AFHJATHYIIKLDR-NVXWUHKLSA-N 1 0 385.489 3.466 20 5 GGBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1 ZINC000069475917 1409640014 /nfs/dbraw/zinc/64/00/14/1409640014.db2.gz PLUSXFMZYFFXFZ-KRWDZBQOSA-N 1 0 388.512 3.293 20 5 GGBDRO COc1cccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)[NH+](C)C)c1 ZINC000069617304 1409663626 /nfs/dbraw/zinc/66/36/26/1409663626.db2.gz XBARLIPZVNLPLO-QGZVFWFLSA-N 1 0 377.828 3.290 20 5 GGBDRO Cc1c(NC(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000069615765 1409663662 /nfs/dbraw/zinc/66/36/62/1409663662.db2.gz FRRPXHSGHGSJLR-LJQANCHMSA-N 1 0 397.479 3.013 20 5 GGBDRO Cc1c(NC(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000069615760 1409664054 /nfs/dbraw/zinc/66/40/54/1409664054.db2.gz FRRPXHSGHGSJLR-IBGZPJMESA-N 1 0 397.479 3.013 20 5 GGBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000069784490 1409698637 /nfs/dbraw/zinc/69/86/37/1409698637.db2.gz VAJIXSXYNMRKMZ-AWEZNQCLSA-N 1 0 377.466 3.004 20 5 GGBDRO COc1ccc(C[NH2+]CCc2cnn(C)c2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000069786647 1409699527 /nfs/dbraw/zinc/69/95/27/1409699527.db2.gz QBKQTZSUNJQOHT-UHFFFAOYSA-N 1 0 396.447 3.248 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1OC ZINC000070977715 1409810011 /nfs/dbraw/zinc/81/00/11/1409810011.db2.gz PPHQYHXJIZDHBJ-QGZVFWFLSA-N 1 0 387.436 3.035 20 5 GGBDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000071040260 1409815148 /nfs/dbraw/zinc/81/51/48/1409815148.db2.gz MTQBJBJAWKDXKJ-UHFFFAOYSA-N 1 0 392.419 3.031 20 5 GGBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCC[N@@H+](C)Cc2ccccc2)c1C ZINC000071808509 1409824979 /nfs/dbraw/zinc/82/49/79/1409824979.db2.gz ILEFYKBZQBLXKL-UHFFFAOYSA-N 1 0 391.493 3.012 20 5 GGBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000176720888 1428433253 /nfs/dbraw/zinc/43/32/53/1428433253.db2.gz LXEUSRWTJPEBPG-RHSMWYFYSA-N 1 0 398.419 3.286 20 5 GGBDRO CC[NH+](CC)[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000071862624 1409828253 /nfs/dbraw/zinc/82/82/53/1409828253.db2.gz GDMUFMYPLFEXMK-GOSISDBHSA-N 1 0 381.436 3.284 20 5 GGBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000176720934 1428433362 /nfs/dbraw/zinc/43/33/62/1428433362.db2.gz LXEUSRWTJPEBPG-YOEHRIQHSA-N 1 0 398.419 3.286 20 5 GGBDRO O=[N+]([O-])c1ccc(CCN2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000071952721 1409832778 /nfs/dbraw/zinc/83/27/78/1409832778.db2.gz YTPGAQKEKHBQLY-UHFFFAOYSA-N 1 0 398.463 3.296 20 5 GGBDRO O=C(CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)Nc1ccc(Cl)cc1 ZINC000071950003 1409832911 /nfs/dbraw/zinc/83/29/11/1409832911.db2.gz LTGMHEHZABJIKX-UHFFFAOYSA-N 1 0 388.855 3.399 20 5 GGBDRO CC1CC[NH+]([C@@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000072006499 1409836431 /nfs/dbraw/zinc/83/64/31/1409836431.db2.gz IQUWDINHYPBPQL-FQEVSTJZSA-N 1 0 382.464 3.380 20 5 GGBDRO CCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000072685452 1409852511 /nfs/dbraw/zinc/85/25/11/1409852511.db2.gz QPTQVWGTOPBVIZ-IPELMVKDSA-N 1 0 375.469 3.367 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000072809684 1409853385 /nfs/dbraw/zinc/85/33/85/1409853385.db2.gz GSMDAQJCZLVOCW-IRXDYDNUSA-N 1 0 375.469 3.087 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000072811521 1409853889 /nfs/dbraw/zinc/85/38/89/1409853889.db2.gz PLPJMTGBHGSMQL-CVEARBPZSA-N 1 0 375.469 3.330 20 5 GGBDRO CCCC[N@H+](C)CC1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000074319621 1409871756 /nfs/dbraw/zinc/87/17/56/1409871756.db2.gz CBHZPQPPXQJVRK-INIZCTEOSA-N 1 0 376.501 3.366 20 5 GGBDRO CCCc1n[nH]c(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000078775159 1409936044 /nfs/dbraw/zinc/93/60/44/1409936044.db2.gz CTXNDEIUQYCYTO-QGZVFWFLSA-N 1 0 385.468 3.146 20 5 GGBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)C1CCCCC1 ZINC000078904399 1409942192 /nfs/dbraw/zinc/94/21/92/1409942192.db2.gz KOVPYUWDSKJSJT-GOSISDBHSA-N 1 0 376.457 3.474 20 5 GGBDRO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000092188416 1410117651 /nfs/dbraw/zinc/11/76/51/1410117651.db2.gz CJGMPAZZMAOBFC-INIZCTEOSA-N 1 0 386.477 3.313 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000092225353 1410125334 /nfs/dbraw/zinc/12/53/34/1410125334.db2.gz HKIARERJZUXLBY-UHFFFAOYSA-N 1 0 377.485 3.139 20 5 GGBDRO CCOc1cc(C[N@@H+]2CC[C@H](C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000092471670 1410160247 /nfs/dbraw/zinc/16/02/47/1410160247.db2.gz SADYPJPFWYMCNS-HNNXBMFYSA-N 1 0 388.468 3.419 20 5 GGBDRO CCOc1cc(C[N@@H+]2CC[C@@H](C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000092471671 1410160556 /nfs/dbraw/zinc/16/05/56/1410160556.db2.gz SADYPJPFWYMCNS-OAHLLOKOSA-N 1 0 388.468 3.419 20 5 GGBDRO Cc1cc(F)cc(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)c1[N+](=O)[O-] ZINC000176787284 1428460845 /nfs/dbraw/zinc/46/08/45/1428460845.db2.gz GUHPCUIXHRXNLR-UHFFFAOYSA-N 1 0 386.427 3.042 20 5 GGBDRO Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2N)ccc1OCC[NH+]1CCCC1 ZINC000176788759 1428461636 /nfs/dbraw/zinc/46/16/36/1428461636.db2.gz YLEJTKGLLFHNGE-UHFFFAOYSA-N 1 0 384.436 3.212 20 5 GGBDRO CCOc1cc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000092642465 1410181507 /nfs/dbraw/zinc/18/15/07/1410181507.db2.gz JOEVIXLWCKAPBE-IYBDPMFKSA-N 1 0 377.485 3.319 20 5 GGBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](CCC(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000092660349 1410183316 /nfs/dbraw/zinc/18/33/16/1410183316.db2.gz BUHBYLZIDNGZIU-AWEZNQCLSA-N 1 0 387.436 3.341 20 5 GGBDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000092730942 1410194793 /nfs/dbraw/zinc/19/47/93/1410194793.db2.gz RLCAHWVKHFJLHM-GJZGRUSLSA-N 1 0 393.484 3.129 20 5 GGBDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000092730934 1410194910 /nfs/dbraw/zinc/19/49/10/1410194910.db2.gz RLCAHWVKHFJLHM-HUUCEWRRSA-N 1 0 393.484 3.129 20 5 GGBDRO Cn1cc(C[N@H+](CCC2CCCCC2)CC(N)=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092784495 1410200042 /nfs/dbraw/zinc/20/00/42/1410200042.db2.gz YDPVCOONJCFKDR-UHFFFAOYSA-N 1 0 399.495 3.253 20 5 GGBDRO CCc1nn(C)c(NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000092828433 1410203780 /nfs/dbraw/zinc/20/37/80/1410203780.db2.gz VGCLDYYOSZCAHQ-GASCZTMLSA-N 1 0 387.484 3.112 20 5 GGBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](N4CCCC4=O)C3)o2)c([N+](=O)[O-])c1 ZINC000093278265 1410228644 /nfs/dbraw/zinc/22/86/44/1410228644.db2.gz VMCSYZUGSIKBIG-OAHLLOKOSA-N 1 0 399.447 3.450 20 5 GGBDRO COc1cc(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000093482643 1410248566 /nfs/dbraw/zinc/24/85/66/1410248566.db2.gz FXBDGYYJCBCZBV-WCQYABFASA-N 1 0 392.374 3.280 20 5 GGBDRO Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534278 1410250552 /nfs/dbraw/zinc/25/05/52/1410250552.db2.gz ARXMWPOBACDANH-QGZVFWFLSA-N 1 0 378.436 3.170 20 5 GGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(Oc4cnccn4)cc3)C2)nc1 ZINC000093534772 1410252040 /nfs/dbraw/zinc/25/20/40/1410252040.db2.gz HSWINAUPMGOJJE-INIZCTEOSA-N 1 0 392.419 3.259 20 5 GGBDRO COCCCOc1cccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000093534893 1410252140 /nfs/dbraw/zinc/25/21/40/1410252140.db2.gz ZZNWIEUOPKKLPC-QGZVFWFLSA-N 1 0 386.452 3.092 20 5 GGBDRO COCCOC[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000093754154 1410263463 /nfs/dbraw/zinc/26/34/63/1410263463.db2.gz UXJFRVGPMGIPFX-CQSZACIVSA-N 1 0 377.466 3.203 20 5 GGBDRO COCCOC[C@H]1CC[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000093754974 1410263821 /nfs/dbraw/zinc/26/38/21/1410263821.db2.gz ZVGJNRIPPZDEND-HNNXBMFYSA-N 1 0 390.436 3.348 20 5 GGBDRO Cn1cc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093766156 1410264675 /nfs/dbraw/zinc/26/46/75/1410264675.db2.gz FYMQWBJHSGJDCD-KRWDZBQOSA-N 1 0 398.385 3.131 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[NH+](C[C@@H]4CCOC4)CC3)s2)cc1 ZINC000093817426 1410271074 /nfs/dbraw/zinc/27/10/74/1410271074.db2.gz YVUXXUZQGLABCR-INIZCTEOSA-N 1 0 387.505 3.477 20 5 GGBDRO O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc1 ZINC000093931250 1410287290 /nfs/dbraw/zinc/28/72/90/1410287290.db2.gz CAPXYMILILVWSJ-UHFFFAOYSA-N 1 0 375.450 3.034 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000094068875 1410301601 /nfs/dbraw/zinc/30/16/01/1410301601.db2.gz SXXPGIBYMQJZAX-UHFFFAOYSA-N 1 0 385.464 3.390 20 5 GGBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3OC)c(C)c2)CC1 ZINC000096948988 1410339192 /nfs/dbraw/zinc/33/91/92/1410339192.db2.gz PIIPAANDUAIPRQ-UHFFFAOYSA-N 1 0 398.463 3.306 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)NC[C@H](C2CC2)[NH+](C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000097126750 1410353289 /nfs/dbraw/zinc/35/32/89/1410353289.db2.gz UYYMNYBKJADWNY-JLTOFOAXSA-N 1 0 397.479 3.233 20 5 GGBDRO Cc1nn(C)c(C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000098098844 1410414620 /nfs/dbraw/zinc/41/46/20/1410414620.db2.gz FXISXNAAJAAMIE-GJZGRUSLSA-N 1 0 399.495 3.045 20 5 GGBDRO CCC[N@H+](Cn1nc(C)c([N+](=O)[O-])c1C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000101539271 1410455259 /nfs/dbraw/zinc/45/52/59/1410455259.db2.gz RHFDPSLPIHYFCX-UHFFFAOYSA-N 1 0 399.495 3.382 20 5 GGBDRO C[N@H+](CCCc1cc(-c2ccccc2)no1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000101558992 1410463734 /nfs/dbraw/zinc/46/37/34/1410463734.db2.gz YKRVLWDUDZUBDL-UHFFFAOYSA-N 1 0 394.431 3.413 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](c1ccc(C)o1)N1CCOCC1 ZINC000101590131 1410473951 /nfs/dbraw/zinc/47/39/51/1410473951.db2.gz QQYHPJMXBDNRAS-GOSISDBHSA-N 1 0 389.452 3.058 20 5 GGBDRO CCN(CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)S(C)(=O)=O ZINC000102423764 1410624853 /nfs/dbraw/zinc/62/48/53/1410624853.db2.gz QMSXMQWNPPDEIL-UHFFFAOYSA-N 1 0 397.522 3.085 20 5 GGBDRO CCCNC(=O)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000102526941 1410643885 /nfs/dbraw/zinc/64/38/85/1410643885.db2.gz YEELXBNSBIUPOH-UHFFFAOYSA-N 1 0 393.447 3.063 20 5 GGBDRO C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000176885061 1428512100 /nfs/dbraw/zinc/51/21/00/1428512100.db2.gz HIHOHYDGGRIQCM-QFBILLFUSA-N 1 0 382.464 3.399 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1SC ZINC000103069898 1410824818 /nfs/dbraw/zinc/82/48/18/1410824818.db2.gz FONAXLPLFHIGEZ-STQMWFEESA-N 1 0 381.498 3.176 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1SC ZINC000103075492 1410825596 /nfs/dbraw/zinc/82/55/96/1410825596.db2.gz WJYQXGHHJIESFF-CYBMUJFWSA-N 1 0 381.498 3.176 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1SC ZINC000103076339 1410825761 /nfs/dbraw/zinc/82/57/61/1410825761.db2.gz ZGLRRZTUXZSUKT-CYBMUJFWSA-N 1 0 381.498 3.176 20 5 GGBDRO C[NH+](C)CCCOc1ccc(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000103126967 1410830212 /nfs/dbraw/zinc/83/02/12/1410830212.db2.gz BVSJQEZCICHBNZ-MDWZMJQESA-N 1 0 383.448 3.255 20 5 GGBDRO CC1CCN(c2ccc(C(=O)N(C)CC3CC[NH+](C)CC3)cc2[N+](=O)[O-])CC1 ZINC000103453733 1410858335 /nfs/dbraw/zinc/85/83/35/1410858335.db2.gz CSQWVTSNPFFBIU-UHFFFAOYSA-N 1 0 388.512 3.245 20 5 GGBDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000103458176 1410859662 /nfs/dbraw/zinc/85/96/62/1410859662.db2.gz UXZIVRMVMVIVTB-AEFFLSMTSA-N 1 0 399.495 3.433 20 5 GGBDRO Cc1nn(Cc2ccc(C(=O)NCC[N@@H+](C)C3CCCC3)cc2)c(C)c1[N+](=O)[O-] ZINC000104572679 1410901749 /nfs/dbraw/zinc/90/17/49/1410901749.db2.gz NIPFMVAKZXLWAG-UHFFFAOYSA-N 1 0 399.495 3.061 20 5 GGBDRO C[NH+](C)Cc1ccnc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000176927561 1428522386 /nfs/dbraw/zinc/52/23/86/1428522386.db2.gz ZUPANCXPJVWTIM-UHFFFAOYSA-N 1 0 383.433 3.427 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCN(c4ccccn4)CC3)o2)c1 ZINC000104661645 1410922284 /nfs/dbraw/zinc/92/22/84/1410922284.db2.gz NPCIVVQRCBYLAQ-UHFFFAOYSA-N 1 0 379.420 3.010 20 5 GGBDRO NC(=O)CC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccc1 ZINC000104663874 1410923041 /nfs/dbraw/zinc/92/30/41/1410923041.db2.gz YQJFENDEXODICF-UHFFFAOYSA-N 1 0 394.431 3.170 20 5 GGBDRO Cc1nc(C[C@@H]2CCC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)no1 ZINC000104681812 1410926809 /nfs/dbraw/zinc/92/68/09/1410926809.db2.gz LUEVYBUMCNZWNE-HNNXBMFYSA-N 1 0 397.435 3.438 20 5 GGBDRO CCCNC(=O)[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104680177 1410927763 /nfs/dbraw/zinc/92/77/63/1410927763.db2.gz HGSUXRNXBOYIDJ-INIZCTEOSA-N 1 0 386.452 3.031 20 5 GGBDRO O=C(C[NH2+][C@H](c1ccccc1)C1CCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000104699846 1410933537 /nfs/dbraw/zinc/93/35/37/1410933537.db2.gz RATVJGKINQZXHT-HXUWFJFHSA-N 1 0 383.404 3.393 20 5 GGBDRO O=C(C[NH2+][C@@H](c1ccccc1)C1CCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000104699841 1410933780 /nfs/dbraw/zinc/93/37/80/1410933780.db2.gz RATVJGKINQZXHT-FQEVSTJZSA-N 1 0 383.404 3.393 20 5 GGBDRO Nc1ccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000105107291 1411029471 /nfs/dbraw/zinc/02/94/71/1411029471.db2.gz OWNADKILMMTTTB-UHFFFAOYSA-N 1 0 388.855 3.225 20 5 GGBDRO CC[C@H](N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1nc(C)cs1 ZINC000105407459 1411063666 /nfs/dbraw/zinc/06/36/66/1411063666.db2.gz GVNATDIDIYJBHP-YPMHNXCESA-N 1 0 378.454 3.436 20 5 GGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000105545324 1411083118 /nfs/dbraw/zinc/08/31/18/1411083118.db2.gz GKQVPSNHZYPWPJ-KRWDZBQOSA-N 1 0 382.464 3.130 20 5 GGBDRO CC[NH+]1CCC(N(C)C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000105599876 1411091105 /nfs/dbraw/zinc/09/11/05/1411091105.db2.gz MODSIXBRGIAXLL-INIZCTEOSA-N 1 0 388.512 3.387 20 5 GGBDRO Cc1ccc(NC(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000105717713 1411111074 /nfs/dbraw/zinc/11/10/74/1411111074.db2.gz KRJMDUSCWLCDJB-UHFFFAOYSA-N 1 0 397.479 3.469 20 5 GGBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000176998101 1428546828 /nfs/dbraw/zinc/54/68/28/1428546828.db2.gz QASMIZLXRKQKPB-GOSISDBHSA-N 1 0 396.491 3.470 20 5 GGBDRO COc1ccc(C[NH2+]CCc2cc(Cl)c3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000106466173 1411222698 /nfs/dbraw/zinc/22/26/98/1411222698.db2.gz SLIQPRAMLANRGK-UHFFFAOYSA-N 1 0 378.812 3.360 20 5 GGBDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000107593806 1411390454 /nfs/dbraw/zinc/39/04/54/1411390454.db2.gz JSYWDFRHEFFUAN-UHFFFAOYSA-N 1 0 377.466 3.307 20 5 GGBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000107600257 1411390946 /nfs/dbraw/zinc/39/09/46/1411390946.db2.gz BKFRAEKKYQVYCJ-SFHVURJKSA-N 1 0 386.496 3.286 20 5 GGBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000107600867 1411391285 /nfs/dbraw/zinc/39/12/85/1411391285.db2.gz OVWWAZGYWHAPGN-HIFRSBDPSA-N 1 0 381.860 3.102 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000107619479 1411393816 /nfs/dbraw/zinc/39/38/16/1411393816.db2.gz PQTYZMOOTHQVQX-HNNXBMFYSA-N 1 0 382.464 3.481 20 5 GGBDRO CC1CC[NH+](Cc2ccccc2CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000107629364 1411394675 /nfs/dbraw/zinc/39/46/75/1411394675.db2.gz LZXMDMLVFLEXAB-UHFFFAOYSA-N 1 0 382.464 3.339 20 5 GGBDRO C[C@H]1C[NH+](CC2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)C[C@H](C)O1 ZINC000177039999 1428564652 /nfs/dbraw/zinc/56/46/52/1428564652.db2.gz QJQIOVZGLIFGRV-GJZGRUSLSA-N 1 0 388.468 3.057 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCN(C)c1ccccc1 ZINC000107682023 1411398109 /nfs/dbraw/zinc/39/81/09/1411398109.db2.gz QUQWXUMJVZSITN-UHFFFAOYSA-N 1 0 386.452 3.000 20 5 GGBDRO COc1cccc(C[NH+]2CCC(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)CC2)c1 ZINC000108536754 1411532332 /nfs/dbraw/zinc/53/23/32/1411532332.db2.gz JCBYSFITMNPSCH-UHFFFAOYSA-N 1 0 399.447 3.006 20 5 GGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000108553166 1411536610 /nfs/dbraw/zinc/53/66/10/1411536610.db2.gz VQWQTIJMVRRCOZ-QGZVFWFLSA-N 1 0 377.441 3.489 20 5 GGBDRO CC1CCN(c2ccc(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)cc2[N+](=O)[O-])CC1 ZINC000108783906 1411609365 /nfs/dbraw/zinc/60/93/65/1411609365.db2.gz HTUHMSXBFRBEEJ-INIZCTEOSA-N 1 0 386.496 3.045 20 5 GGBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000109122924 1411688405 /nfs/dbraw/zinc/68/84/05/1411688405.db2.gz TZQRCTLGRUHQNN-INIZCTEOSA-N 1 0 385.468 3.022 20 5 GGBDRO COc1ccc(C(C)(C)C[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000109147076 1411694086 /nfs/dbraw/zinc/69/40/86/1411694086.db2.gz LHKBYZBRVDTGGO-LJQANCHMSA-N 1 0 383.448 3.276 20 5 GGBDRO CCCNC(=O)C1([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCCCC1 ZINC000177119437 1428593924 /nfs/dbraw/zinc/59/39/24/1428593924.db2.gz LIPLOANQVZXUQU-UHFFFAOYSA-N 1 0 390.484 3.051 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)NC[C@H]3CC[N@@H+](C)C3)cc2[N+](=O)[O-])n1 ZINC000109849671 1411814113 /nfs/dbraw/zinc/81/41/13/1411814113.db2.gz BLZDFXRIJQFJKO-GFCCVEGCSA-N 1 0 392.506 3.192 20 5 GGBDRO C[NH+]1CCC(CCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000110022234 1411825599 /nfs/dbraw/zinc/82/55/99/1411825599.db2.gz JRZKWLALJFTHCP-UHFFFAOYSA-N 1 0 377.488 3.003 20 5 GGBDRO CC(C)[NH+](CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])C(C)C ZINC000110112084 1411831840 /nfs/dbraw/zinc/83/18/40/1411831840.db2.gz ADTTXACJALIOFI-UHFFFAOYSA-N 1 0 379.429 3.122 20 5 GGBDRO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCCC[NH2+]C1CCCCC1 ZINC000110128419 1411832759 /nfs/dbraw/zinc/83/27/59/1411832759.db2.gz GRDGQIAVWXMXFK-UHFFFAOYSA-N 1 0 391.440 3.315 20 5 GGBDRO C[C@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[N@H+](C)Cc1ccccc1 ZINC000110350473 1411845861 /nfs/dbraw/zinc/84/58/61/1411845861.db2.gz OFASVOANDHIWGC-MRXNPFEDSA-N 1 0 393.447 3.031 20 5 GGBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000110975481 1411880005 /nfs/dbraw/zinc/88/00/05/1411880005.db2.gz LZWWPOMNKQPARH-CQSZACIVSA-N 1 0 393.484 3.242 20 5 GGBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000110975483 1411880148 /nfs/dbraw/zinc/88/01/48/1411880148.db2.gz LZWWPOMNKQPARH-AWEZNQCLSA-N 1 0 393.484 3.242 20 5 GGBDRO Nc1c(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc(F)cc1[N+](=O)[O-] ZINC000111188531 1411894545 /nfs/dbraw/zinc/89/45/45/1411894545.db2.gz RCMRCPUQWZBOTB-UHFFFAOYSA-N 1 0 378.448 3.235 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000111308104 1411907346 /nfs/dbraw/zinc/90/73/46/1411907346.db2.gz CIDROMONQZVEGE-QGZVFWFLSA-N 1 0 382.464 3.048 20 5 GGBDRO Cc1nc2c(s1)[C@@H]([N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC000111313122 1411914179 /nfs/dbraw/zinc/91/41/79/1411914179.db2.gz CSWQRZHCTSQXKN-YOEHRIQHSA-N 1 0 377.466 3.109 20 5 GGBDRO CCC[N@@H+]1Cc2cccc(NC(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)c2C1 ZINC000111598469 1411999417 /nfs/dbraw/zinc/99/94/17/1411999417.db2.gz XYNSRBUVLRJGOT-UHFFFAOYSA-N 1 0 392.415 3.414 20 5 GGBDRO C[C@H]1C[C@@H](NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177177715 1428615553 /nfs/dbraw/zinc/61/55/53/1428615553.db2.gz GJJUVGXSOODECT-DOTOQJQBSA-N 1 0 386.496 3.186 20 5 GGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCOCC(F)(F)F)CC2)c2ncccc12 ZINC000112076473 1412074270 /nfs/dbraw/zinc/07/42/70/1412074270.db2.gz VGIRNZLNHVBOBO-UHFFFAOYSA-N 1 0 398.385 3.234 20 5 GGBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000112078332 1412074446 /nfs/dbraw/zinc/07/44/46/1412074446.db2.gz NGUYLWRQHUMMJK-CALCHBBNSA-N 1 0 383.496 3.138 20 5 GGBDRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000112186814 1412090143 /nfs/dbraw/zinc/09/01/43/1412090143.db2.gz AFTFOCMHGYKHRP-UHFFFAOYSA-N 1 0 399.463 3.355 20 5 GGBDRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000112186529 1412090180 /nfs/dbraw/zinc/09/01/80/1412090180.db2.gz ISKVTEOOSSJZPB-UHFFFAOYSA-N 1 0 381.473 3.215 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000112532109 1412163851 /nfs/dbraw/zinc/16/38/51/1412163851.db2.gz NEMQTDQSKJDUDZ-LSDHHAIUSA-N 1 0 380.448 3.474 20 5 GGBDRO CCCC[N@H+](C)CC1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000112918527 1412240054 /nfs/dbraw/zinc/24/00/54/1412240054.db2.gz ARFGQNYMUKZYOJ-UHFFFAOYSA-N 1 0 376.501 3.367 20 5 GGBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113092306 1412261022 /nfs/dbraw/zinc/26/10/22/1412261022.db2.gz KJCKMDLGQQNYPV-UHFFFAOYSA-N 1 0 396.491 3.397 20 5 GGBDRO COc1cc(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000113094497 1412261429 /nfs/dbraw/zinc/26/14/29/1412261429.db2.gz XRZXNSIUYCSXNE-UHFFFAOYSA-N 1 0 383.448 3.340 20 5 GGBDRO CN(C(=O)CCOc1ccccc1[N+](=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000113093474 1412261498 /nfs/dbraw/zinc/26/14/98/1412261498.db2.gz YINLONZSUKSAIU-UHFFFAOYSA-N 1 0 397.475 3.487 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113094204 1412261711 /nfs/dbraw/zinc/26/17/11/1412261711.db2.gz VQUHSQYDGSQPGQ-UHFFFAOYSA-N 1 0 383.448 3.340 20 5 GGBDRO CN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113208372 1412275160 /nfs/dbraw/zinc/27/51/60/1412275160.db2.gz PHGQLGGFLPOMBV-UHFFFAOYSA-N 1 0 393.447 3.208 20 5 GGBDRO C[C@@H]([NH2+]C1(CNC(=O)Cc2ccccc2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000113235028 1412279516 /nfs/dbraw/zinc/27/95/16/1412279516.db2.gz MJAZYOZEZOVLNR-QGZVFWFLSA-N 1 0 397.475 3.154 20 5 GGBDRO C[C@@H]([NH2+]C1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CCOCC1)c1ccccc1 ZINC000113235826 1412280153 /nfs/dbraw/zinc/28/01/53/1412280153.db2.gz YFDCUUJUERWEDF-MRXNPFEDSA-N 1 0 383.448 3.225 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000113900821 1412348124 /nfs/dbraw/zinc/34/81/24/1412348124.db2.gz UIZWDDFRFLSUHL-CVEARBPZSA-N 1 0 375.469 3.330 20 5 GGBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000113945028 1412357291 /nfs/dbraw/zinc/35/72/91/1412357291.db2.gz VPTKTKOMNIFOQA-DOTOQJQBSA-N 1 0 395.525 3.178 20 5 GGBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000113945213 1412357310 /nfs/dbraw/zinc/35/73/10/1412357310.db2.gz VPGBXAJKINVUGO-IRXDYDNUSA-N 1 0 395.525 3.178 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000114192416 1412392149 /nfs/dbraw/zinc/39/21/49/1412392149.db2.gz LNUHECHRYBOUST-HXUWFJFHSA-N 1 0 383.448 3.214 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000114468872 1412439736 /nfs/dbraw/zinc/43/97/36/1412439736.db2.gz ZOGMFOPDAKKDRV-FQEVSTJZSA-N 1 0 383.448 3.214 20 5 GGBDRO O=[N+]([O-])c1cc(C[N@@H+](CCO)[C@@H]2CCCc3ccccc32)c2c(c1)COCO2 ZINC000114468637 1412440087 /nfs/dbraw/zinc/44/00/87/1412440087.db2.gz JGFZICVBBPSPKZ-HXUWFJFHSA-N 1 0 384.432 3.333 20 5 GGBDRO CCCC[N@H+](C)CC1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000114475733 1412440674 /nfs/dbraw/zinc/44/06/74/1412440674.db2.gz GOQOXRZHSOLWHV-FQEVSTJZSA-N 1 0 388.512 3.144 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000114469791 1412441168 /nfs/dbraw/zinc/44/11/68/1412441168.db2.gz SITKWIIIMBNTKW-FQEVSTJZSA-N 1 0 383.448 3.214 20 5 GGBDRO CCCC[N@H+](C)CC1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000114475877 1412441792 /nfs/dbraw/zinc/44/17/92/1412441792.db2.gz LHSUJVKTAPJCCX-UHFFFAOYSA-N 1 0 376.501 3.286 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114481304 1412442666 /nfs/dbraw/zinc/44/26/66/1412442666.db2.gz DWQUDGXOIPHGRF-UHFFFAOYSA-N 1 0 396.491 3.438 20 5 GGBDRO COc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000114644497 1412485122 /nfs/dbraw/zinc/48/51/22/1412485122.db2.gz FQOAUZVRPPSTFM-INIZCTEOSA-N 1 0 399.447 3.006 20 5 GGBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000114748854 1412518057 /nfs/dbraw/zinc/51/80/57/1412518057.db2.gz SDDDLFVIALHSJX-HUUCEWRRSA-N 1 0 396.447 3.399 20 5 GGBDRO CC1CCC([NH+]2CCN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)CC2)CC1 ZINC000115255334 1412622362 /nfs/dbraw/zinc/62/23/62/1412622362.db2.gz ZDCZPIWGYXSDOV-UHFFFAOYSA-N 1 0 397.479 3.117 20 5 GGBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000177270602 1428664452 /nfs/dbraw/zinc/66/44/52/1428664452.db2.gz MLKNUDDSPGDSQL-UHFFFAOYSA-N 1 0 397.479 3.307 20 5 GGBDRO CC1CCC([NH+]2CCN(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)CC1 ZINC000115515061 1412698404 /nfs/dbraw/zinc/69/84/04/1412698404.db2.gz INHYXTAUCNTPHS-UHFFFAOYSA-N 1 0 384.484 3.007 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@H](C)C1 ZINC000115521271 1412700135 /nfs/dbraw/zinc/70/01/35/1412700135.db2.gz DFDYMZWKXZKTTM-ZBFHGGJFSA-N 1 0 390.484 3.028 20 5 GGBDRO CC1CCC([NH+]2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)CC1 ZINC000115568349 1412715704 /nfs/dbraw/zinc/71/57/04/1412715704.db2.gz XSICYMUFTVFCNN-UHFFFAOYSA-N 1 0 375.469 3.158 20 5 GGBDRO COc1ccc(-c2ccc(C[NH2+]CCOC[C@H]3CCCO3)o2)c([N+](=O)[O-])c1 ZINC000115624792 1412736788 /nfs/dbraw/zinc/73/67/88/1412736788.db2.gz NTAYUCMVMMPBMS-MRXNPFEDSA-N 1 0 376.409 3.149 20 5 GGBDRO O=C(CCc1ccccc1)N1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000177288752 1428673060 /nfs/dbraw/zinc/67/30/60/1428673060.db2.gz ALXRWOPAIUWTLT-UHFFFAOYSA-N 1 0 397.475 3.141 20 5 GGBDRO O=C(CCc1ccccc1)N1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000177289577 1428673583 /nfs/dbraw/zinc/67/35/83/1428673583.db2.gz NBXSJOJBLSAEMS-UHFFFAOYSA-N 1 0 397.475 3.141 20 5 GGBDRO O=C(CCc1ccccc1)N1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000177283853 1428670197 /nfs/dbraw/zinc/67/01/97/1428670197.db2.gz XQESJWVTRUDBNC-UHFFFAOYSA-N 1 0 381.476 3.304 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000115865653 1412803858 /nfs/dbraw/zinc/80/38/58/1412803858.db2.gz DRLVEOXYEQDPCT-UHFFFAOYSA-N 1 0 383.448 3.306 20 5 GGBDRO C[C@H]1CCC[C@](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)([NH+](C)C)C1 ZINC000115916237 1412814932 /nfs/dbraw/zinc/81/49/32/1412814932.db2.gz QPICDCLWWPJAGS-JXFKEZNVSA-N 1 0 376.501 3.414 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1OC ZINC000116125673 1412833949 /nfs/dbraw/zinc/83/39/49/1412833949.db2.gz OXHUWCUNKOSIBX-KRWDZBQOSA-N 1 0 381.473 3.098 20 5 GGBDRO C[NH+](C)CC[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(C)(C)C ZINC000116130107 1412834662 /nfs/dbraw/zinc/83/46/62/1412834662.db2.gz GCRYKJZWSPQITL-SFHVURJKSA-N 1 0 376.501 3.291 20 5 GGBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000116215809 1412843465 /nfs/dbraw/zinc/84/34/65/1412843465.db2.gz KYOWOFHTCIARFD-MRXNPFEDSA-N 1 0 382.464 3.349 20 5 GGBDRO O=[N+]([O-])c1cccc(CN2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000116287284 1412847664 /nfs/dbraw/zinc/84/76/64/1412847664.db2.gz MNNZSZDGTMHZDU-FQEVSTJZSA-N 1 0 395.507 3.024 20 5 GGBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000116357832 1412852429 /nfs/dbraw/zinc/85/24/29/1412852429.db2.gz BFVSYJHNHVSATC-HNNXBMFYSA-N 1 0 389.477 3.099 20 5 GGBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116388914 1412854197 /nfs/dbraw/zinc/85/41/97/1412854197.db2.gz SBRSSLXHSHJMCC-HOTGVXAUSA-N 1 0 380.920 3.239 20 5 GGBDRO C[NH+](C)Cc1cccc(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000116721865 1412905106 /nfs/dbraw/zinc/90/51/06/1412905106.db2.gz DSKWZLLILUMHLS-UHFFFAOYSA-N 1 0 391.855 3.395 20 5 GGBDRO CC(C)(C)[NH+]1CCC(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116731619 1412908207 /nfs/dbraw/zinc/90/82/07/1412908207.db2.gz XRSKDBWKHLRAEP-UHFFFAOYSA-N 1 0 383.876 3.396 20 5 GGBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116738715 1412911875 /nfs/dbraw/zinc/91/18/75/1412911875.db2.gz VJZAIOJMMJBVHH-AWEZNQCLSA-N 1 0 383.876 3.254 20 5 GGBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000116754564 1412915943 /nfs/dbraw/zinc/91/59/43/1412915943.db2.gz RPEVBQNAZDDQAA-CQSZACIVSA-N 1 0 381.860 3.150 20 5 GGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000177320527 1428687396 /nfs/dbraw/zinc/68/73/96/1428687396.db2.gz QHIZDZYBFFFJFK-KGLIPLIRSA-N 1 0 385.411 3.263 20 5 GGBDRO Cc1ccccc1N1CC[NH+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000117333892 1413026353 /nfs/dbraw/zinc/02/63/53/1413026353.db2.gz TUAKGWGJOJVQNM-UHFFFAOYSA-N 1 0 396.447 3.023 20 5 GGBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CCOc1ccccc1F ZINC000117334263 1413026832 /nfs/dbraw/zinc/02/68/32/1413026832.db2.gz OYQCNGLTAKZKPN-UHFFFAOYSA-N 1 0 389.383 3.043 20 5 GGBDRO C[N@H+](CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000117582896 1413054227 /nfs/dbraw/zinc/05/42/27/1413054227.db2.gz YNIXXHPSPJOYFY-UHFFFAOYSA-N 1 0 375.856 3.429 20 5 GGBDRO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1ccccc1 ZINC000117660872 1413062105 /nfs/dbraw/zinc/06/21/05/1413062105.db2.gz XRTTXXVEXMPGSK-AWEZNQCLSA-N 1 0 375.856 3.427 20 5 GGBDRO C[NH+](C)CCOc1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000117784854 1413078353 /nfs/dbraw/zinc/07/83/53/1413078353.db2.gz ZISMTVOWTHGEHQ-UHFFFAOYSA-N 1 0 391.855 3.048 20 5 GGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccc(-n4ccnc4)nc3)CC2)cc1 ZINC000177353476 1428702623 /nfs/dbraw/zinc/70/26/23/1428702623.db2.gz DUOXWWGVXLKQOW-UHFFFAOYSA-N 1 0 379.420 3.219 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN([C@@H](C)c2cccnc2)CC1 ZINC000118836821 1413240329 /nfs/dbraw/zinc/24/03/29/1413240329.db2.gz NOIALQQYSLXIKJ-KRWDZBQOSA-N 1 0 397.479 3.006 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN([C@H](C)c2cccnc2)CC1 ZINC000118836823 1413240643 /nfs/dbraw/zinc/24/06/43/1413240643.db2.gz NOIALQQYSLXIKJ-QGZVFWFLSA-N 1 0 397.479 3.006 20 5 GGBDRO O=C(CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccccc1Cl ZINC000118866459 1413253068 /nfs/dbraw/zinc/25/30/68/1413253068.db2.gz ROTYVRBTEWRZRV-CYBMUJFWSA-N 1 0 389.843 3.158 20 5 GGBDRO Cc1ccc([C@H](C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])N2CCOCC2)o1 ZINC000119014889 1413304801 /nfs/dbraw/zinc/30/48/01/1413304801.db2.gz MAHALKFENIJDNK-JXFKEZNVSA-N 1 0 387.480 3.480 20 5 GGBDRO C[NH+](C)Cc1ccc(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000119040220 1413313580 /nfs/dbraw/zinc/31/35/80/1413313580.db2.gz PTVOMVIOHVPMLO-UHFFFAOYSA-N 1 0 384.480 3.479 20 5 GGBDRO Cc1ccc([C@@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[NH+](C)C)cc1 ZINC000119233961 1413384184 /nfs/dbraw/zinc/38/41/84/1413384184.db2.gz CDYCXOPFCGOQLN-HXUWFJFHSA-N 1 0 380.448 3.346 20 5 GGBDRO COC(=O)[C@H](C)[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000177411754 1428724698 /nfs/dbraw/zinc/72/46/98/1428724698.db2.gz BGMCBLBTWPUJNC-FOIQADDNSA-N 1 0 399.447 3.372 20 5 GGBDRO CCOC(=O)c1ccnc(NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000119293500 1413402090 /nfs/dbraw/zinc/40/20/90/1413402090.db2.gz DRFYLUSUHSHWFX-AWEZNQCLSA-N 1 0 399.451 3.199 20 5 GGBDRO O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cs1 ZINC000119370881 1413427029 /nfs/dbraw/zinc/42/70/29/1413427029.db2.gz FDDIGZKLKIEYOO-UHFFFAOYSA-N 1 0 395.506 3.121 20 5 GGBDRO C[C@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[N@H+](C)Cc1ccccc1 ZINC000119573942 1413489973 /nfs/dbraw/zinc/48/99/73/1413489973.db2.gz UWQOBDLCMGKCNZ-MRXNPFEDSA-N 1 0 382.464 3.183 20 5 GGBDRO C[C@@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C(C)(C)C[NH+](C)C ZINC000119646066 1413514177 /nfs/dbraw/zinc/51/41/77/1413514177.db2.gz ZYBCHBFZKGDKKR-OAHLLOKOSA-N 1 0 392.500 3.124 20 5 GGBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000177430147 1428733868 /nfs/dbraw/zinc/73/38/68/1428733868.db2.gz BDQGBORKTZVGOM-UHFFFAOYSA-N 1 0 390.440 3.338 20 5 GGBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000119719057 1413544387 /nfs/dbraw/zinc/54/43/87/1413544387.db2.gz ZHQCPJPCKODTBF-CQSZACIVSA-N 1 0 383.876 3.111 20 5 GGBDRO COc1cc(C[N@H+](C)C[C@H]2CCCOC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000119756879 1413557195 /nfs/dbraw/zinc/55/71/95/1413557195.db2.gz DHVSZKJZDCXBCJ-GFCCVEGCSA-N 1 0 392.374 3.403 20 5 GGBDRO COc1ccc([C@@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C(C)C)cc1 ZINC000119770256 1413562864 /nfs/dbraw/zinc/56/28/64/1413562864.db2.gz ZMKZIETTXDIYEJ-NRFANRHFSA-N 1 0 383.448 3.479 20 5 GGBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000119769916 1413562936 /nfs/dbraw/zinc/56/29/36/1413562936.db2.gz QXWVCYAVESSIER-KGLIPLIRSA-N 1 0 383.876 3.110 20 5 GGBDRO C[C@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000119775569 1413564331 /nfs/dbraw/zinc/56/43/31/1413564331.db2.gz AVBNICNIMKOANL-CYBMUJFWSA-N 1 0 395.506 3.160 20 5 GGBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000119775433 1413564675 /nfs/dbraw/zinc/56/46/75/1413564675.db2.gz AVBNICNIMKOANL-ZDUSSCGKSA-N 1 0 395.506 3.160 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000177440196 1428737352 /nfs/dbraw/zinc/73/73/52/1428737352.db2.gz MDHKJINLNOMRMR-OAHLLOKOSA-N 1 0 376.482 3.494 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000119851179 1413592916 /nfs/dbraw/zinc/59/29/16/1413592916.db2.gz HLJGSNOLIDMAGY-BEFAXECRSA-N 1 0 390.443 3.393 20 5 GGBDRO CCCC[NH+]1CCC(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000119915771 1413615222 /nfs/dbraw/zinc/61/52/22/1413615222.db2.gz XVDMJPKLFUCSNF-UHFFFAOYSA-N 1 0 376.501 3.481 20 5 GGBDRO CCC[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC[N@@H+]1CCOC ZINC000119937044 1413623959 /nfs/dbraw/zinc/62/39/59/1413623959.db2.gz DXJGDIKGTHGMCH-MRXNPFEDSA-N 1 0 378.473 3.176 20 5 GGBDRO CC[NH+]1CCN(Cc2ccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000119944334 1413627347 /nfs/dbraw/zinc/62/73/47/1413627347.db2.gz YBRPCZOAAAILLT-UHFFFAOYSA-N 1 0 396.491 3.304 20 5 GGBDRO COc1ccc([C@@H](CCO)[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000120190887 1413724299 /nfs/dbraw/zinc/72/42/99/1413724299.db2.gz FHIWVZAHMGOINM-OAQYLSRUSA-N 1 0 385.464 3.286 20 5 GGBDRO CNC(=O)C(C)(C)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000120339649 1413794273 /nfs/dbraw/zinc/79/42/73/1413794273.db2.gz NXQSSEDICNUHFD-UHFFFAOYSA-N 1 0 375.400 3.388 20 5 GGBDRO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000177473358 1428756240 /nfs/dbraw/zinc/75/62/40/1428756240.db2.gz KRTXCRQRMSJVGV-WBVHZDCISA-N 1 0 382.464 3.268 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000120419323 1413813606 /nfs/dbraw/zinc/81/36/06/1413813606.db2.gz KENPVHVYPQAQBX-UTKZUKDTSA-N 1 0 396.491 3.347 20 5 GGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000120470637 1413825256 /nfs/dbraw/zinc/82/52/56/1413825256.db2.gz MDUUEISPNPNSKX-PXAZEXFGSA-N 1 0 377.828 3.289 20 5 GGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000120470809 1413825344 /nfs/dbraw/zinc/82/53/44/1413825344.db2.gz MDUUEISPNPNSKX-YVEFUNNKSA-N 1 0 377.828 3.289 20 5 GGBDRO C[C@@H]1C[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000177475864 1428758282 /nfs/dbraw/zinc/75/82/82/1428758282.db2.gz MHKXQAQDILHDJO-AEFFLSMTSA-N 1 0 382.464 3.176 20 5 GGBDRO O=C(NCC[N@@H+]1CCc2ccccc2C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000120556612 1413842819 /nfs/dbraw/zinc/84/28/19/1413842819.db2.gz ZKFVEBYDHUYOCK-UHFFFAOYSA-N 1 0 394.475 3.327 20 5 GGBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000120596970 1413851189 /nfs/dbraw/zinc/85/11/89/1413851189.db2.gz QACFZLZBZZLARE-NVXWUHKLSA-N 1 0 396.875 3.138 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)c1 ZINC000120625684 1413858781 /nfs/dbraw/zinc/85/87/81/1413858781.db2.gz ALLFLCNMIHXJPD-QGZVFWFLSA-N 1 0 396.447 3.090 20 5 GGBDRO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000120751345 1413892214 /nfs/dbraw/zinc/89/22/14/1413892214.db2.gz SCKPOZMACAEGOT-UHFFFAOYSA-N 1 0 397.475 3.370 20 5 GGBDRO C[NH+](C)CCC1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000120873707 1413933488 /nfs/dbraw/zinc/93/34/88/1413933488.db2.gz YJFAARYHNCMUKG-UHFFFAOYSA-N 1 0 376.501 3.291 20 5 GGBDRO CC[NH+](CC)[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])c(C)c1)c1ccco1 ZINC000121007387 1413975193 /nfs/dbraw/zinc/97/51/93/1413975193.db2.gz PFGVHVQGXGRPNY-KRWDZBQOSA-N 1 0 375.425 3.074 20 5 GGBDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000121058406 1413991581 /nfs/dbraw/zinc/99/15/81/1413991581.db2.gz GOIVSTKAFKTSFY-ICSRJNTNSA-N 1 0 381.432 3.117 20 5 GGBDRO CC(C)[C@H](CO)[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000121085674 1414002308 /nfs/dbraw/zinc/00/23/08/1414002308.db2.gz GUCOQXQCGNUSNG-NRFANRHFSA-N 1 0 397.475 3.003 20 5 GGBDRO CC(C)[C@@H](CO)[N@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000121125897 1414016791 /nfs/dbraw/zinc/01/67/91/1414016791.db2.gz WOJKFIFWTUOHQM-HXUWFJFHSA-N 1 0 386.448 3.480 20 5 GGBDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000121141271 1414022244 /nfs/dbraw/zinc/02/22/44/1414022244.db2.gz WEKLAIOVGFCWDT-GOEBONIOSA-N 1 0 387.484 3.227 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000121163823 1414029455 /nfs/dbraw/zinc/02/94/55/1414029455.db2.gz VEPFPKCYIXNQIF-KGLIPLIRSA-N 1 0 377.466 3.257 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000121163957 1414030260 /nfs/dbraw/zinc/03/02/60/1414030260.db2.gz VEPFPKCYIXNQIF-UONOGXRCSA-N 1 0 377.466 3.257 20 5 GGBDRO CCN(CC)C(=O)C1([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCCCC1 ZINC000121167090 1414030467 /nfs/dbraw/zinc/03/04/67/1414030467.db2.gz RBKQTSVOKFNHCO-UHFFFAOYSA-N 1 0 390.484 3.003 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000121176010 1414033785 /nfs/dbraw/zinc/03/37/85/1414033785.db2.gz LCERUYYOYFZQSO-INIZCTEOSA-N 1 0 393.447 3.351 20 5 GGBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCN(CCc2ccccc2)CC1 ZINC000121232889 1414052147 /nfs/dbraw/zinc/05/21/47/1414052147.db2.gz DEYLKQSLGINDTD-UHFFFAOYSA-N 1 0 390.443 3.144 20 5 GGBDRO CCN(C[C@@H]1CC[N@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1)CC(F)(F)F ZINC000121239378 1414054800 /nfs/dbraw/zinc/05/48/00/1414054800.db2.gz GZZOKPQDTIQZID-AWEZNQCLSA-N 1 0 399.417 3.417 20 5 GGBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000121245327 1414057023 /nfs/dbraw/zinc/05/70/23/1414057023.db2.gz QMEYBMSDIFWQLN-ZDUSSCGKSA-N 1 0 395.843 3.199 20 5 GGBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000121245500 1414057046 /nfs/dbraw/zinc/05/70/46/1414057046.db2.gz QMEYBMSDIFWQLN-CYBMUJFWSA-N 1 0 395.843 3.199 20 5 GGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)nc1 ZINC000121332696 1414085743 /nfs/dbraw/zinc/08/57/43/1414085743.db2.gz SCYXPPOBODYQQZ-XLIONFOSSA-N 1 0 398.463 3.234 20 5 GGBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000121359893 1414094446 /nfs/dbraw/zinc/09/44/46/1414094446.db2.gz YWXGUWOCDBUFIY-MRXNPFEDSA-N 1 0 397.479 3.057 20 5 GGBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000121359716 1414094484 /nfs/dbraw/zinc/09/44/84/1414094484.db2.gz YWXGUWOCDBUFIY-INIZCTEOSA-N 1 0 397.479 3.057 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(CC[NH+](C)C)Cc2cccs2)c1C ZINC000121369238 1414097610 /nfs/dbraw/zinc/09/76/10/1414097610.db2.gz ZGKGKJKCCCWPON-UHFFFAOYSA-N 1 0 397.522 3.026 20 5 GGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000177532843 1428784313 /nfs/dbraw/zinc/78/43/13/1428784313.db2.gz KURCYJMWYBQYQJ-GFCCVEGCSA-N 1 0 386.399 3.392 20 5 GGBDRO O=[N+]([O-])c1ccc(OCCCN2CCOC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000121731628 1414239035 /nfs/dbraw/zinc/23/90/35/1414239035.db2.gz PTCUVLZAPZXFBF-WMZOPIPTSA-N 1 0 392.477 3.250 20 5 GGBDRO O=[N+]([O-])c1ccc(OCCCN2CCOC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000121731493 1414239099 /nfs/dbraw/zinc/23/90/99/1414239099.db2.gz PTCUVLZAPZXFBF-FUHWJXTLSA-N 1 0 392.477 3.250 20 5 GGBDRO O=[N+]([O-])c1ccc(OCCCN2CCOC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000121731332 1414239164 /nfs/dbraw/zinc/23/91/64/1414239164.db2.gz PTCUVLZAPZXFBF-AEFFLSMTSA-N 1 0 392.477 3.250 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121823884 1414269983 /nfs/dbraw/zinc/26/99/83/1414269983.db2.gz VXTXTGMTFIKYOZ-UHFFFAOYSA-N 1 0 388.512 3.430 20 5 GGBDRO CCOc1ccc(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)cc1[N+](=O)[O-] ZINC000121900427 1414299326 /nfs/dbraw/zinc/29/93/26/1414299326.db2.gz KTPHHQPRBLNXCR-UHFFFAOYSA-N 1 0 375.400 3.124 20 5 GGBDRO C[NH+](C)Cc1ccc(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1F ZINC000121953677 1414321209 /nfs/dbraw/zinc/32/12/09/1414321209.db2.gz OSKLFDOTQLSZJG-UHFFFAOYSA-N 1 0 384.411 3.136 20 5 GGBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000121964027 1414324958 /nfs/dbraw/zinc/32/49/58/1414324958.db2.gz LZLZARCDFMGMOB-FZMZJTMJSA-N 1 0 388.390 3.144 20 5 GGBDRO CCC[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@@H+]1CCOC ZINC000122034910 1414344803 /nfs/dbraw/zinc/34/48/03/1414344803.db2.gz UDPPPORRRJIHBC-IBGZPJMESA-N 1 0 388.468 3.183 20 5 GGBDRO CCc1nc(C)c([C@@H](C)[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000122075622 1414356485 /nfs/dbraw/zinc/35/64/85/1414356485.db2.gz BYYGHRIKRNRLRX-HIFRSBDPSA-N 1 0 379.482 3.355 20 5 GGBDRO C[N@H+](CCCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)Cc1ccccc1 ZINC000122266890 1414406034 /nfs/dbraw/zinc/40/60/34/1414406034.db2.gz QFAWNXQWRAOGIA-UHFFFAOYSA-N 1 0 393.447 3.032 20 5 GGBDRO CCOc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1OCC ZINC000122277349 1414408932 /nfs/dbraw/zinc/40/89/32/1414408932.db2.gz ULPZHJXVKXREDF-MRXNPFEDSA-N 1 0 386.452 3.474 20 5 GGBDRO COc1ccc(OCC[N@@H+]2CCC[C@H](c3nncn3C(C)C)C2)c([N+](=O)[O-])c1 ZINC000122337722 1414427795 /nfs/dbraw/zinc/42/77/95/1414427795.db2.gz MHGJMUXGYFHLBP-HNNXBMFYSA-N 1 0 389.456 3.034 20 5 GGBDRO Cc1ccc([C@@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)[NH+](C)C)cc1 ZINC000122356150 1414432979 /nfs/dbraw/zinc/43/29/79/1414432979.db2.gz LQZSUEBEIHBIOQ-HXUWFJFHSA-N 1 0 393.447 3.122 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000122424277 1414455565 /nfs/dbraw/zinc/45/55/65/1414455565.db2.gz PYKATUMCRDQBCQ-UHFFFAOYSA-N 1 0 397.479 3.237 20 5 GGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccco1 ZINC000122443990 1414462055 /nfs/dbraw/zinc/46/20/55/1414462055.db2.gz ZSSXZEFCFKMCEL-SFHVURJKSA-N 1 0 397.435 3.186 20 5 GGBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000122497974 1414482314 /nfs/dbraw/zinc/48/23/14/1414482314.db2.gz PUXXEHVASVGTIV-IYBDPMFKSA-N 1 0 380.920 3.239 20 5 GGBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000122531745 1414491628 /nfs/dbraw/zinc/49/16/28/1414491628.db2.gz YJFKJDRXZQHNCE-KRWDZBQOSA-N 1 0 398.419 3.378 20 5 GGBDRO COc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2Cl)[NH+](C)C)cc1OC ZINC000122571497 1414504317 /nfs/dbraw/zinc/50/43/17/1414504317.db2.gz LMYGANNBWQTTIE-CQSZACIVSA-N 1 0 380.832 3.375 20 5 GGBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000122604732 1414513861 /nfs/dbraw/zinc/51/38/61/1414513861.db2.gz POIRJIWCYYCWSX-UHFFFAOYSA-N 1 0 397.460 3.272 20 5 GGBDRO COCCCOC1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000122738980 1414553236 /nfs/dbraw/zinc/55/32/36/1414553236.db2.gz IKSVBSXNHYSBOK-UHFFFAOYSA-N 1 0 389.452 3.310 20 5 GGBDRO CCC[C@@H]([NH2+]C1CCN(S(=O)(=O)CCC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000122911665 1414595114 /nfs/dbraw/zinc/59/51/14/1414595114.db2.gz NMWDUNRGESFIAI-GOSISDBHSA-N 1 0 383.514 3.230 20 5 GGBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]CC2(CO)COC2)cc1 ZINC000123014293 1414619929 /nfs/dbraw/zinc/61/99/29/1414619929.db2.gz OXXRKZITGCHEOC-UHFFFAOYSA-N 1 0 378.812 3.139 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000123032987 1414623793 /nfs/dbraw/zinc/62/37/93/1414623793.db2.gz PNFLNITURUPFCX-KRWDZBQOSA-N 1 0 398.463 3.290 20 5 GGBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000123188356 1414664118 /nfs/dbraw/zinc/66/41/18/1414664118.db2.gz RXZJEHFVGZAXNQ-SFHVURJKSA-N 1 0 382.420 3.165 20 5 GGBDRO C[NH+](C)CCCC1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000123295210 1414689850 /nfs/dbraw/zinc/68/98/50/1414689850.db2.gz DYTYRILUCKVSGJ-UHFFFAOYSA-N 1 0 382.892 3.241 20 5 GGBDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000123341121 1414700182 /nfs/dbraw/zinc/70/01/82/1414700182.db2.gz HTFMDMUZTWXYBJ-UHFFFAOYSA-N 1 0 382.464 3.306 20 5 GGBDRO CN(C)CC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1 ZINC000177683275 1428832938 /nfs/dbraw/zinc/83/29/38/1428832938.db2.gz AVDXOSTWUWKMMB-UHFFFAOYSA-N 1 0 376.800 3.001 20 5 GGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000123566192 1414776759 /nfs/dbraw/zinc/77/67/59/1414776759.db2.gz OQTYOSOATOSSSY-UHFFFAOYSA-N 1 0 397.522 3.237 20 5 GGBDRO Cc1c(NC(=O)[C@@H](C)N2CCC(CCC[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000123581570 1414782802 /nfs/dbraw/zinc/78/28/02/1414782802.db2.gz METJUNKXOJLFIS-MRXNPFEDSA-N 1 0 376.501 3.284 20 5 GGBDRO CNC(=O)c1cccc(CC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000123587597 1414784892 /nfs/dbraw/zinc/78/48/92/1414784892.db2.gz GHCPKPTXAWVSSC-UHFFFAOYSA-N 1 0 396.472 3.410 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000123623392 1414798760 /nfs/dbraw/zinc/79/87/60/1414798760.db2.gz XZLZNEARUORUGE-IAGOWNOFSA-N 1 0 393.509 3.218 20 5 GGBDRO Cc1sc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000123672209 1414807171 /nfs/dbraw/zinc/80/71/71/1414807171.db2.gz BNSIMKIBLJFYCM-UHFFFAOYSA-N 1 0 397.522 3.026 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCCOC[C@@H]3CCOC3)cs2)c1 ZINC000123688421 1414810118 /nfs/dbraw/zinc/81/01/18/1414810118.db2.gz LNSYBUJYUSJDHO-AWEZNQCLSA-N 1 0 377.466 3.251 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCCOC[C@H]3CCOC3)cs2)c1 ZINC000123688653 1414810271 /nfs/dbraw/zinc/81/02/71/1414810271.db2.gz LNSYBUJYUSJDHO-CQSZACIVSA-N 1 0 377.466 3.251 20 5 GGBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000123709040 1414813074 /nfs/dbraw/zinc/81/30/74/1414813074.db2.gz VXDBCCHGASECCK-HUUCEWRRSA-N 1 0 396.451 3.394 20 5 GGBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000123746629 1414819415 /nfs/dbraw/zinc/81/94/15/1414819415.db2.gz RDMCBQICZIVIST-GOSISDBHSA-N 1 0 382.464 3.425 20 5 GGBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000123749793 1414819795 /nfs/dbraw/zinc/81/97/95/1414819795.db2.gz UBKFBUYWIVHRAX-IBGZPJMESA-N 1 0 382.464 3.045 20 5 GGBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c1 ZINC000124093352 1414884306 /nfs/dbraw/zinc/88/43/06/1414884306.db2.gz YLUDRHUWUXQVMI-LJQANCHMSA-N 1 0 394.410 3.311 20 5 GGBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c1 ZINC000124093121 1414884317 /nfs/dbraw/zinc/88/43/17/1414884317.db2.gz YLUDRHUWUXQVMI-IBGZPJMESA-N 1 0 394.410 3.311 20 5 GGBDRO Cc1c(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000124232513 1414915203 /nfs/dbraw/zinc/91/52/03/1414915203.db2.gz ITLRERBHOSHBIN-HNNXBMFYSA-N 1 0 392.456 3.218 20 5 GGBDRO Cc1c(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000124232680 1414915372 /nfs/dbraw/zinc/91/53/72/1414915372.db2.gz ITLRERBHOSHBIN-OAHLLOKOSA-N 1 0 392.456 3.218 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000124299463 1414932889 /nfs/dbraw/zinc/93/28/89/1414932889.db2.gz UGFUSULSPFAFEM-QGZVFWFLSA-N 1 0 383.448 3.497 20 5 GGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000124330914 1414941371 /nfs/dbraw/zinc/94/13/71/1414941371.db2.gz PKRBUEWVWHGJIG-ZDUSSCGKSA-N 1 0 389.905 3.052 20 5 GGBDRO O=c1cc(CN2CC[NH+](C3CCOCC3)CC2)c2c(ccc3ccccc32)o1 ZINC000177750960 1428850067 /nfs/dbraw/zinc/85/00/67/1428850067.db2.gz OMOAHSGQKWERKU-UHFFFAOYSA-N 1 0 378.472 3.243 20 5 GGBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000124616914 1415006628 /nfs/dbraw/zinc/00/66/28/1415006628.db2.gz GULKJUNFBHMWDY-UXHICEINSA-N 1 0 388.512 3.004 20 5 GGBDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000124777256 1415042124 /nfs/dbraw/zinc/04/21/24/1415042124.db2.gz ACJDGPALLNWFJK-UHFFFAOYSA-N 1 0 383.901 3.340 20 5 GGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000177799113 1428860707 /nfs/dbraw/zinc/86/07/07/1428860707.db2.gz BYDAFJVQBFDZSY-CABCVRRESA-N 1 0 381.860 3.102 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(F)c1 ZINC000124804216 1415047669 /nfs/dbraw/zinc/04/76/69/1415047669.db2.gz JZPMLSKVEAEKNN-LJQANCHMSA-N 1 0 384.411 3.177 20 5 GGBDRO CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000124805734 1415048247 /nfs/dbraw/zinc/04/82/47/1415048247.db2.gz MWHXJCPOAJYSOE-HOTGVXAUSA-N 1 0 394.541 3.066 20 5 GGBDRO CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000124805492 1415048295 /nfs/dbraw/zinc/04/82/95/1415048295.db2.gz MWHXJCPOAJYSOE-CVEARBPZSA-N 1 0 394.541 3.066 20 5 GGBDRO C[N@H+](CCCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Cc1ccccc1 ZINC000124921789 1415073594 /nfs/dbraw/zinc/07/35/94/1415073594.db2.gz JOGBTBISGBRAEN-UHFFFAOYSA-N 1 0 380.448 3.257 20 5 GGBDRO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000125036835 1415096706 /nfs/dbraw/zinc/09/67/06/1415096706.db2.gz VHGQFCBGERLHMG-KRWDZBQOSA-N 1 0 382.464 3.321 20 5 GGBDRO Cc1ccc([C@@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[NH+]2CCCC2)o1 ZINC000125167815 1415122980 /nfs/dbraw/zinc/12/29/80/1415122980.db2.gz AOMQCSSJILUABV-LJQANCHMSA-N 1 0 396.447 3.473 20 5 GGBDRO COC(=O)c1ccc(C[N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000125187391 1415126492 /nfs/dbraw/zinc/12/64/92/1415126492.db2.gz ADNZTHFADIQSFD-UHFFFAOYSA-N 1 0 385.420 3.150 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccc(F)cc1 ZINC000125231793 1415135281 /nfs/dbraw/zinc/13/52/81/1415135281.db2.gz XGFLDPKVPAJGGU-GOSISDBHSA-N 1 0 382.395 3.315 20 5 GGBDRO COc1ccc(CCC[N@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000125269533 1415148167 /nfs/dbraw/zinc/14/81/67/1415148167.db2.gz JVGXCQHHSAYTCB-UHFFFAOYSA-N 1 0 381.436 3.384 20 5 GGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000177822662 1428865199 /nfs/dbraw/zinc/86/51/99/1428865199.db2.gz DMFKDNICWXOKPQ-OLZOCXBDSA-N 1 0 379.482 3.024 20 5 GGBDRO CC[NH+](CC)[C@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000125435248 1415197134 /nfs/dbraw/zinc/19/71/34/1415197134.db2.gz ZYEPVGSYJGDKJX-PXNSSMCTSA-N 1 0 397.479 3.086 20 5 GGBDRO CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000125435839 1415197534 /nfs/dbraw/zinc/19/75/34/1415197534.db2.gz ZYEPVGSYJGDKJX-YLJYHZDGSA-N 1 0 397.479 3.086 20 5 GGBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1 ZINC000125809812 1415286882 /nfs/dbraw/zinc/28/68/82/1415286882.db2.gz LTDDKQRBNAUMLJ-IUODEOHRSA-N 1 0 382.363 3.287 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000177919164 1428891715 /nfs/dbraw/zinc/89/17/15/1428891715.db2.gz SUEORJBYUIFPQG-QKLQHJQFSA-N 1 0 386.496 3.038 20 5 GGBDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)cc([N+](=O)[O-])c1 ZINC000125841469 1415294514 /nfs/dbraw/zinc/29/45/14/1415294514.db2.gz JGBJKNXFSPFIHG-UHFFFAOYSA-N 1 0 377.391 3.385 20 5 GGBDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)cc([N+](=O)[O-])c1 ZINC000125856102 1415298262 /nfs/dbraw/zinc/29/82/62/1415298262.db2.gz JNNLEAJQPKOMCJ-UHFFFAOYSA-N 1 0 377.391 3.385 20 5 GGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC(=O)Nc1ccc(Cl)cc1 ZINC000177934517 1428894766 /nfs/dbraw/zinc/89/47/66/1428894766.db2.gz LEOMJPMFCRKCKY-GFCCVEGCSA-N 1 0 390.827 3.194 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)cc1[N+](=O)[O-] ZINC000126155607 1415372025 /nfs/dbraw/zinc/37/20/25/1415372025.db2.gz PTPDUZYKPBEMBF-INIZCTEOSA-N 1 0 397.475 3.454 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000126163440 1415373481 /nfs/dbraw/zinc/37/34/81/1415373481.db2.gz WGKQFSJFQSADJF-INIZCTEOSA-N 1 0 397.475 3.454 20 5 GGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000126162862 1415373997 /nfs/dbraw/zinc/37/39/97/1415373997.db2.gz VUGKYACVFFXUGK-UHFFFAOYSA-N 1 0 384.480 3.431 20 5 GGBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000126238545 1415391365 /nfs/dbraw/zinc/39/13/65/1415391365.db2.gz YOUCAAQONDFFDN-INIZCTEOSA-N 1 0 399.495 3.181 20 5 GGBDRO CN(C(=O)CNc1ccccc1[N+](=O)[O-])c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126392106 1415435343 /nfs/dbraw/zinc/43/53/43/1415435343.db2.gz GBMZKKBVFRFTAN-UHFFFAOYSA-N 1 0 398.463 3.144 20 5 GGBDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000126407124 1415442791 /nfs/dbraw/zinc/44/27/91/1415442791.db2.gz OEYKFEXOYMRWSQ-UHFFFAOYSA-N 1 0 386.408 3.015 20 5 GGBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000126468910 1415462268 /nfs/dbraw/zinc/46/22/68/1415462268.db2.gz ITAXORGEMGAIKW-HXUWFJFHSA-N 1 0 382.464 3.274 20 5 GGBDRO C[C@H]1C[NH2+]CCN1C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000126475029 1415464523 /nfs/dbraw/zinc/46/45/23/1415464523.db2.gz CWESWNQERNGVBC-ZDUSSCGKSA-N 1 0 388.855 3.294 20 5 GGBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126480061 1415465992 /nfs/dbraw/zinc/46/59/92/1415465992.db2.gz JCEXCKPYOWVYHJ-OXQOHEQNSA-N 1 0 398.507 3.284 20 5 GGBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126480722 1415466027 /nfs/dbraw/zinc/46/60/27/1415466027.db2.gz JCEXCKPYOWVYHJ-JXFKEZNVSA-N 1 0 398.507 3.284 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000126675359 1415523871 /nfs/dbraw/zinc/52/38/71/1415523871.db2.gz OTDQIMBVFOXENR-UHFFFAOYSA-N 1 0 389.402 3.150 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126674403 1415523921 /nfs/dbraw/zinc/52/39/21/1415523921.db2.gz IWDIHHIUMSSCFX-KDOFPFPSSA-N 1 0 377.872 3.266 20 5 GGBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000126674883 1415524084 /nfs/dbraw/zinc/52/40/84/1415524084.db2.gz FGRHUENUWZVCKX-INIZCTEOSA-N 1 0 386.477 3.419 20 5 GGBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126728218 1415541235 /nfs/dbraw/zinc/54/12/35/1415541235.db2.gz YUNHTAWCVITMAO-JXFKEZNVSA-N 1 0 386.496 3.262 20 5 GGBDRO O=C(NC[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000178045043 1428954031 /nfs/dbraw/zinc/95/40/31/1428954031.db2.gz BMAGMNOLCBVDFD-QGZVFWFLSA-N 1 0 383.448 3.116 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000126893071 1415597673 /nfs/dbraw/zinc/59/76/73/1415597673.db2.gz LVHFVFGOIXTRID-RDJZCZTQSA-N 1 0 397.431 3.355 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 ZINC000126920956 1415609881 /nfs/dbraw/zinc/60/98/81/1415609881.db2.gz FKYGDCCINSGTOO-GJZGRUSLSA-N 1 0 399.447 3.465 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000126920726 1415610057 /nfs/dbraw/zinc/61/00/57/1415610057.db2.gz FKYGDCCINSGTOO-GASCZTMLSA-N 1 0 399.447 3.465 20 5 GGBDRO COc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000178054212 1428957811 /nfs/dbraw/zinc/95/78/11/1428957811.db2.gz OWKWVQMHTXSSDS-QGZVFWFLSA-N 1 0 383.448 3.245 20 5 GGBDRO C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[N@@H+]1Cc1ccccc1 ZINC000127056787 1415649903 /nfs/dbraw/zinc/64/99/03/1415649903.db2.gz DEEODHARPYWTLG-CRAIPNDOSA-N 1 0 392.459 3.398 20 5 GGBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000127157399 1415674394 /nfs/dbraw/zinc/67/43/94/1415674394.db2.gz ZZMXZYVLCQAGFV-UHFFFAOYSA-N 1 0 399.495 3.182 20 5 GGBDRO O=C1NCCN1C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000127665208 1415829258 /nfs/dbraw/zinc/82/92/58/1415829258.db2.gz OLPBBJFNQYQOEI-UHFFFAOYSA-N 1 0 386.477 3.313 20 5 GGBDRO COc1cc(C(=O)N[C@@H]2CC[NH2+]C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000127767956 1415846968 /nfs/dbraw/zinc/84/69/68/1415846968.db2.gz HFUXLQHAGYJTEU-CYBMUJFWSA-N 1 0 391.811 3.141 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000127874199 1415867484 /nfs/dbraw/zinc/86/74/84/1415867484.db2.gz MOXVDVWAWQKZSA-UHFFFAOYSA-N 1 0 386.452 3.474 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000178241845 1429029059 /nfs/dbraw/zinc/02/90/59/1429029059.db2.gz YZIMGKBWVPYXDC-IRXDYDNUSA-N 1 0 389.496 3.255 20 5 GGBDRO Cc1cccc(C(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000178246424 1429031285 /nfs/dbraw/zinc/03/12/85/1429031285.db2.gz CIAWPSMLYOQRNE-IRXDYDNUSA-N 1 0 389.496 3.255 20 5 GGBDRO Cc1cc(C(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000178242553 1429029627 /nfs/dbraw/zinc/02/96/27/1429029627.db2.gz PIDFOMSQYVDNSA-CALCHBBNSA-N 1 0 389.496 3.255 20 5 GGBDRO Cc1cc(C(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000178242579 1429029774 /nfs/dbraw/zinc/02/97/74/1429029774.db2.gz PIDFOMSQYVDNSA-IRXDYDNUSA-N 1 0 389.496 3.255 20 5 GGBDRO Cc1cc(C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000178242567 1429029855 /nfs/dbraw/zinc/02/98/55/1429029855.db2.gz PIDFOMSQYVDNSA-IAGOWNOFSA-N 1 0 389.496 3.255 20 5 GGBDRO Cc1c(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000128252037 1415948710 /nfs/dbraw/zinc/94/87/10/1415948710.db2.gz USSQDBAPPHBZHC-OXJNMPFZSA-N 1 0 381.476 3.473 20 5 GGBDRO O=C(CC[N@@H+](Cc1ccco1)C[C@H]1CCCO1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128357715 1415970162 /nfs/dbraw/zinc/97/01/62/1415970162.db2.gz ZGRVUQYAHQARMM-MRXNPFEDSA-N 1 0 391.399 3.337 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000178249448 1429033339 /nfs/dbraw/zinc/03/33/39/1429033339.db2.gz ZOJLPLLZHGJHTK-IAGOWNOFSA-N 1 0 389.496 3.255 20 5 GGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000128444898 1415988406 /nfs/dbraw/zinc/98/84/06/1415988406.db2.gz CQJLHWXTVOCGNY-UHFFFAOYSA-N 1 0 395.525 3.326 20 5 GGBDRO Cc1sc(C(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000178254610 1429034317 /nfs/dbraw/zinc/03/43/17/1429034317.db2.gz ABTODIHISFRIHK-KBPBESRZSA-N 1 0 395.525 3.316 20 5 GGBDRO Cc1c(C(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000178260539 1429035728 /nfs/dbraw/zinc/03/57/28/1429035728.db2.gz GIKVDISNPOXBLD-IYBDPMFKSA-N 1 0 389.496 3.255 20 5 GGBDRO C[NH+](C)CCC1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000128500727 1416001032 /nfs/dbraw/zinc/00/10/32/1416001032.db2.gz NSCBQJTTZLJYES-UHFFFAOYSA-N 1 0 391.515 3.345 20 5 GGBDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)C[C@@H](C)O1 ZINC000178261377 1429036805 /nfs/dbraw/zinc/03/68/05/1429036805.db2.gz IJKZCHCLHHOEGL-HUUCEWRRSA-N 1 0 393.459 3.085 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000128520565 1416005357 /nfs/dbraw/zinc/00/53/57/1416005357.db2.gz OEQATMCQVHNFQS-UHFFFAOYSA-N 1 0 376.388 3.126 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)N2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000128549771 1416011000 /nfs/dbraw/zinc/01/10/00/1416011000.db2.gz INYDBCNXPYFAJS-SFHVURJKSA-N 1 0 396.491 3.293 20 5 GGBDRO Cc1c([C@@H](C)[NH2+]CCC(=O)N2CCN(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000128565464 1416014881 /nfs/dbraw/zinc/01/48/81/1416014881.db2.gz CUSUTZAHPFNZKF-GOSISDBHSA-N 1 0 396.491 3.293 20 5 GGBDRO O=C(CC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128899247 1416095793 /nfs/dbraw/zinc/09/57/93/1416095793.db2.gz VRKNXALNLLOBEW-CXAGYDPISA-N 1 0 391.399 3.244 20 5 GGBDRO Cn1cc(CCC[NH+]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cn1 ZINC000129232080 1416176414 /nfs/dbraw/zinc/17/64/14/1416176414.db2.gz UOTFRORKEUOOTQ-UHFFFAOYSA-N 1 0 397.401 3.102 20 5 GGBDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000129285261 1416185004 /nfs/dbraw/zinc/18/50/04/1416185004.db2.gz BFVRWJJYOJMYAT-UHFFFAOYSA-N 1 0 377.485 3.114 20 5 GGBDRO O=C(CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129302485 1416187680 /nfs/dbraw/zinc/18/76/80/1416187680.db2.gz PRKSYYMSNIVSDP-AUUYWEPGSA-N 1 0 390.459 3.011 20 5 GGBDRO O=C(CCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129302726 1416187868 /nfs/dbraw/zinc/18/78/68/1416187868.db2.gz PRKSYYMSNIVSDP-KUHUBIRLSA-N 1 0 390.459 3.011 20 5 GGBDRO C[N@@H+]1CCC[C@@H]1CCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000178440063 1429077527 /nfs/dbraw/zinc/07/75/27/1429077527.db2.gz YBPQFIREQRZKQZ-OAHLLOKOSA-N 1 0 386.418 3.220 20 5 GGBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000129658226 1416244460 /nfs/dbraw/zinc/24/44/60/1416244460.db2.gz SHGLFTBCRKFXNS-JWTNVVGKSA-N 1 0 380.448 3.220 20 5 GGBDRO C[C@H](CCO)[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccccc1 ZINC000129672315 1416246250 /nfs/dbraw/zinc/24/62/50/1416246250.db2.gz DLNZAYFLVMNRQT-OAHLLOKOSA-N 1 0 389.427 3.336 20 5 GGBDRO COc1cc(C[NH2+][C@@H]2C=C[C@H](CO)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000129677046 1416247179 /nfs/dbraw/zinc/24/71/79/1416247179.db2.gz FPKQUFHFLAKOSE-FUHWJXTLSA-N 1 0 384.432 3.209 20 5 GGBDRO COc1ccc(C[NH2+][C@@H]2C=C[C@H](CO)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000129723410 1416254171 /nfs/dbraw/zinc/25/41/71/1416254171.db2.gz VATKZWBLUZAFBB-ZWKOTPCHSA-N 1 0 384.432 3.209 20 5 GGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000129898464 1416281765 /nfs/dbraw/zinc/28/17/65/1416281765.db2.gz DLHPNJSRAUFNJK-UHFFFAOYSA-N 1 0 390.443 3.483 20 5 GGBDRO Cc1ccc(NC(=O)C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000129901096 1416282357 /nfs/dbraw/zinc/28/23/57/1416282357.db2.gz YXKDVUWNDFQSOX-OAHLLOKOSA-N 1 0 398.463 3.087 20 5 GGBDRO Cc1cc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)ccc1[N+](=O)[O-] ZINC000129957628 1416290903 /nfs/dbraw/zinc/29/09/03/1416290903.db2.gz YEIXZYMDQRUWEN-UHFFFAOYSA-N 1 0 383.448 3.360 20 5 GGBDRO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000130108027 1416319509 /nfs/dbraw/zinc/31/95/09/1416319509.db2.gz SHZIHAXJGOGJGZ-OAHLLOKOSA-N 1 0 376.434 3.335 20 5 GGBDRO COc1ccccc1CC(=O)N1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000130155478 1416329306 /nfs/dbraw/zinc/32/93/06/1416329306.db2.gz GXZBUHCOVOEAHP-INIZCTEOSA-N 1 0 397.475 3.488 20 5 GGBDRO O=C(c1ccco1)N1CCC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000130207900 1416339930 /nfs/dbraw/zinc/33/99/30/1416339930.db2.gz SGPJBMWAPAWLOE-SFHVURJKSA-N 1 0 383.448 3.403 20 5 GGBDRO Cc1ccc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)c(OCC[NH+](C)C)c1 ZINC000130210923 1416340071 /nfs/dbraw/zinc/34/00/71/1416340071.db2.gz SUNSDAIFDNZINX-UHFFFAOYSA-N 1 0 386.452 3.208 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)NC[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-])c1ccccn1 ZINC000130351929 1416363206 /nfs/dbraw/zinc/36/32/06/1416363206.db2.gz KTIQNXDUVHJESU-ZBFHGGJFSA-N 1 0 383.452 3.035 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)NC[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-])c1ccccn1 ZINC000130352317 1416363314 /nfs/dbraw/zinc/36/33/14/1416363314.db2.gz KTIQNXDUVHJESU-GDBMZVCRSA-N 1 0 383.452 3.035 20 5 GGBDRO CCc1ccc([C@H](COC)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)o1 ZINC000130412931 1416373908 /nfs/dbraw/zinc/37/39/08/1416373908.db2.gz FMLXTKIOUKRAKF-INIZCTEOSA-N 1 0 379.388 3.195 20 5 GGBDRO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000130741229 1416439403 /nfs/dbraw/zinc/43/94/03/1416439403.db2.gz HJPQULZVMMSHJD-UHFFFAOYSA-N 1 0 391.493 3.056 20 5 GGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000130743420 1416439919 /nfs/dbraw/zinc/43/99/19/1416439919.db2.gz JZJLFZIQJOFQIR-IAGOWNOFSA-N 1 0 399.495 3.268 20 5 GGBDRO CCCc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000130743019 1416439992 /nfs/dbraw/zinc/43/99/92/1416439992.db2.gz MLIXRJARWCRGTE-NVXWUHKLSA-N 1 0 399.495 3.396 20 5 GGBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000131021891 1416497526 /nfs/dbraw/zinc/49/75/26/1416497526.db2.gz UKLVOCPIYLSLEO-KUHUBIRLSA-N 1 0 399.447 3.034 20 5 GGBDRO Cc1[nH]c2ccccc2c1C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000131288799 1416535422 /nfs/dbraw/zinc/53/54/22/1416535422.db2.gz GTTFSONYXLXUTE-UHFFFAOYSA-N 1 0 380.448 3.426 20 5 GGBDRO O=[N+]([O-])c1ccc2c(c1)CN(C[C@@H](O)COCc1ccc(Cl)cc1)CC2 ZINC000131311746 1416538588 /nfs/dbraw/zinc/53/85/88/1416538588.db2.gz RKSPNBDFDPQANR-LJQANCHMSA-N 1 0 376.840 3.184 20 5 GGBDRO [NH3+]C[C@H]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000178569574 1429109491 /nfs/dbraw/zinc/10/94/91/1429109491.db2.gz WPXFJWQUBBJPQB-GFCCVEGCSA-N 1 0 375.812 3.461 20 5 GGBDRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H]2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000131764816 1416615543 /nfs/dbraw/zinc/61/55/43/1416615543.db2.gz URFFCTVEZGXXOT-KRWDZBQOSA-N 1 0 389.477 3.030 20 5 GGBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000131895982 1416644540 /nfs/dbraw/zinc/64/45/40/1416644540.db2.gz NWKKCEJNVUGDMO-HNNXBMFYSA-N 1 0 383.452 3.015 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000131976206 1416664298 /nfs/dbraw/zinc/66/42/98/1416664298.db2.gz JHCXXAAOHAVBQS-MRXNPFEDSA-N 1 0 383.448 3.340 20 5 GGBDRO COc1cc(OC)c(OC)cc1C[N@H+](CCn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000132068467 1416687376 /nfs/dbraw/zinc/68/73/76/1416687376.db2.gz KEEOCFRNOYZWDA-UHFFFAOYSA-N 1 0 392.456 3.118 20 5 GGBDRO CSc1ccc(C(=O)c2ccccc2C(=O)NCC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000178624726 1429124405 /nfs/dbraw/zinc/12/44/05/1429124405.db2.gz WBEQUJSEVQGACO-LBPRGKRZSA-N 1 0 387.461 3.015 20 5 GGBDRO COc1cccc([C@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000132395795 1416751509 /nfs/dbraw/zinc/75/15/09/1416751509.db2.gz BMSSALJUSVEEMJ-IBGZPJMESA-N 1 0 387.411 3.309 20 5 GGBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000132414694 1416755670 /nfs/dbraw/zinc/75/56/70/1416755670.db2.gz CWBMFIGLDUDBSG-HNNXBMFYSA-N 1 0 383.452 3.015 20 5 GGBDRO C[C@H]1C[C@@H](N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000132486975 1416771076 /nfs/dbraw/zinc/77/10/76/1416771076.db2.gz YRWHQBQIGICZDU-PXNSSMCTSA-N 1 0 397.475 3.485 20 5 GGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000132499853 1416773427 /nfs/dbraw/zinc/77/34/27/1416773427.db2.gz NSAORSGDQWAJQH-NVXWUHKLSA-N 1 0 391.493 3.186 20 5 GGBDRO C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000132501061 1416773814 /nfs/dbraw/zinc/77/38/14/1416773814.db2.gz WXCMTIWGSDNTLC-AEFFLSMTSA-N 1 0 399.495 3.038 20 5 GGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000132519344 1416776611 /nfs/dbraw/zinc/77/66/11/1416776611.db2.gz DVYMLUNGWOSEII-UHFFFAOYSA-N 1 0 377.391 3.480 20 5 GGBDRO C[C@@H]1C[C@H](N(C)C(=O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000132524455 1416778407 /nfs/dbraw/zinc/77/84/07/1416778407.db2.gz VWBWEUADDBFZEV-IEBWSBKVSA-N 1 0 397.475 3.485 20 5 GGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000132541257 1416782075 /nfs/dbraw/zinc/78/20/75/1416782075.db2.gz HMVBZCJASLXAJO-SFHVURJKSA-N 1 0 399.472 3.054 20 5 GGBDRO CCCCNC(=O)C1([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CCCCC1 ZINC000132834106 1416820778 /nfs/dbraw/zinc/82/07/78/1416820778.db2.gz PTGDOWLUUAPPAR-UHFFFAOYSA-N 1 0 390.484 3.051 20 5 GGBDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000132836858 1416821173 /nfs/dbraw/zinc/82/11/73/1416821173.db2.gz TVVVZHNVJHNKBM-UHFFFAOYSA-N 1 0 389.427 3.385 20 5 GGBDRO CN(C)[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Cc1ccccc1 ZINC000133000540 1416840444 /nfs/dbraw/zinc/84/04/44/1416840444.db2.gz MDBDDWGGMCPCRN-QFIPXVFZSA-N 1 0 382.508 3.326 20 5 GGBDRO CCOC(=O)c1ccnc(NC2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000133117645 1416853695 /nfs/dbraw/zinc/85/36/95/1416853695.db2.gz YPWCJZBWPBXBHU-UHFFFAOYSA-N 1 0 384.436 3.243 20 5 GGBDRO CCOC(=O)c1ccnc(NC[C@H](c2cccc(F)c2)[NH+](C)C)c1[N+](=O)[O-] ZINC000133144607 1416856702 /nfs/dbraw/zinc/85/67/02/1416856702.db2.gz GSIWHONRYDCKTH-OAHLLOKOSA-N 1 0 376.388 3.020 20 5 GGBDRO COCCC(=O)N1CCC([NH2+]Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000133252411 1416870532 /nfs/dbraw/zinc/87/05/32/1416870532.db2.gz FHKHCLQXWOWIHJ-UHFFFAOYSA-N 1 0 394.471 3.063 20 5 GGBDRO COC(=O)c1ccc(CNC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000178679437 1429139165 /nfs/dbraw/zinc/13/91/65/1429139165.db2.gz FNKQUOKOANDBIS-CABCVRRESA-N 1 0 399.447 3.045 20 5 GGBDRO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2=O)c1 ZINC000178681396 1429139236 /nfs/dbraw/zinc/13/92/36/1429139236.db2.gz IVXOQCPKQMULIK-KUHUBIRLSA-N 1 0 399.447 3.377 20 5 GGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000178681053 1429139380 /nfs/dbraw/zinc/13/93/80/1429139380.db2.gz POCIORVXODDFAT-KGLIPLIRSA-N 1 0 385.420 3.352 20 5 GGBDRO O=C(c1ccoc1)N1CCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000133368203 1416883055 /nfs/dbraw/zinc/88/30/55/1416883055.db2.gz GIDOHIWEIUYEBV-UHFFFAOYSA-N 1 0 398.463 3.051 20 5 GGBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1S(C)(=O)=O ZINC000178685310 1429140668 /nfs/dbraw/zinc/14/06/68/1429140668.db2.gz KXOOCGGAJKDDSR-QWHCGFSZSA-N 1 0 378.450 3.419 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)C1CC1 ZINC000133635424 1416927171 /nfs/dbraw/zinc/92/71/71/1416927171.db2.gz FDUDKZVQKVGIIA-DNVCBOLYSA-N 1 0 392.402 3.224 20 5 GGBDRO COc1cccc([C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)N(C)C)c1 ZINC000133775240 1416961087 /nfs/dbraw/zinc/96/10/87/1416961087.db2.gz WBFWOERYDQOVHP-JOCHJYFZSA-N 1 0 398.507 3.465 20 5 GGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000133839986 1416974486 /nfs/dbraw/zinc/97/44/86/1416974486.db2.gz MMRLOLZWLYAWRP-CQSZACIVSA-N 1 0 377.466 3.004 20 5 GGBDRO CCOC(=O)c1ccnc(NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000133911384 1416993127 /nfs/dbraw/zinc/99/31/27/1416993127.db2.gz OHKAAIHXKHVSAP-HNNXBMFYSA-N 1 0 388.424 3.317 20 5 GGBDRO Cc1ccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c(OCC[NH+](C)C)c1 ZINC000134074462 1417018392 /nfs/dbraw/zinc/01/83/92/1417018392.db2.gz UOSGQGHDDHOWSU-UHFFFAOYSA-N 1 0 398.463 3.434 20 5 GGBDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000134474605 1417074493 /nfs/dbraw/zinc/07/44/93/1417074493.db2.gz QYYQPZLZKMBSMR-HUUCEWRRSA-N 1 0 393.459 3.085 20 5 GGBDRO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000134531538 1417083004 /nfs/dbraw/zinc/08/30/04/1417083004.db2.gz QSNXROUKYBHWQA-QGZVFWFLSA-N 1 0 382.464 3.463 20 5 GGBDRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000134630278 1417101413 /nfs/dbraw/zinc/10/14/13/1417101413.db2.gz YPXVGXGUAYSPAT-LSDHHAIUSA-N 1 0 379.457 3.351 20 5 GGBDRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000134651696 1417106151 /nfs/dbraw/zinc/10/61/51/1417106151.db2.gz HQZVNJPTXPUBPK-GJZGRUSLSA-N 1 0 379.457 3.351 20 5 GGBDRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000178729800 1429153258 /nfs/dbraw/zinc/15/32/58/1429153258.db2.gz DZGCBXMIQUMLTE-CYBMUJFWSA-N 1 0 393.465 3.216 20 5 GGBDRO O=C(NC[C@H]1CCC[NH2+]1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000178749461 1429160354 /nfs/dbraw/zinc/16/03/54/1429160354.db2.gz SMQCTVBZLDQUGP-OAHLLOKOSA-N 1 0 388.855 3.342 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134934014 1417147803 /nfs/dbraw/zinc/14/78/03/1417147803.db2.gz OTWWRNBFUXHJMY-UZLBHIALSA-N 1 0 386.496 3.181 20 5 GGBDRO C[N@H+](CCCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CCCCC1 ZINC000134961580 1417152495 /nfs/dbraw/zinc/15/24/95/1417152495.db2.gz URHKCKWBJZUQTA-UHFFFAOYSA-N 1 0 385.468 3.165 20 5 GGBDRO O=C(CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1ccc2c(c1)OCO2 ZINC000135219113 1417189999 /nfs/dbraw/zinc/18/99/99/1417189999.db2.gz JIKOAPLSJMPFKC-UHFFFAOYSA-N 1 0 383.404 3.317 20 5 GGBDRO Cc1cccc([C@@H](O)C[N@H+](CCn2cc([N+](=O)[O-])cn2)Cc2ccccc2)c1 ZINC000135493299 1417228026 /nfs/dbraw/zinc/22/80/26/1417228026.db2.gz FKTHNOADQSVYGY-NRFANRHFSA-N 1 0 380.448 3.336 20 5 GGBDRO Cc1cccc([C@H](O)C[N@H+](CCn2cc([N+](=O)[O-])cn2)Cc2ccccc2)c1 ZINC000135493281 1417228159 /nfs/dbraw/zinc/22/81/59/1417228159.db2.gz FKTHNOADQSVYGY-OAQYLSRUSA-N 1 0 380.448 3.336 20 5 GGBDRO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+](C)C[C@@H]1CCOC1 ZINC000178786082 1429169621 /nfs/dbraw/zinc/16/96/21/1429169621.db2.gz SWHXPWKIBKATQY-STQMWFEESA-N 1 0 390.465 3.014 20 5 GGBDRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000135632986 1417250171 /nfs/dbraw/zinc/25/01/71/1417250171.db2.gz UJOHREOGABBTDS-UHFFFAOYSA-N 1 0 389.839 3.457 20 5 GGBDRO CC(C)(C)[NH2+]CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000136033874 1417287198 /nfs/dbraw/zinc/28/71/98/1417287198.db2.gz JGJCQOWTXSLAQK-UHFFFAOYSA-N 1 0 378.654 3.129 20 5 GGBDRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000136060549 1417288953 /nfs/dbraw/zinc/28/89/53/1417288953.db2.gz YOPOPLDYBJAKLP-CQSZACIVSA-N 1 0 387.440 3.013 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000136095331 1417291575 /nfs/dbraw/zinc/29/15/75/1417291575.db2.gz MASQFYXXGZRFCL-INIZCTEOSA-N 1 0 385.468 3.165 20 5 GGBDRO C[NH+](C)Cc1ccc(CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1F ZINC000136169670 1417297581 /nfs/dbraw/zinc/29/75/81/1417297581.db2.gz FTCLDTFRGYPUDX-UHFFFAOYSA-N 1 0 386.427 3.063 20 5 GGBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[NH+]1CCOCC1 ZINC000136228146 1417302792 /nfs/dbraw/zinc/30/27/92/1417302792.db2.gz CHSBZHFXMCRPIF-UHFFFAOYSA-N 1 0 395.525 3.185 20 5 GGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000136494869 1417320978 /nfs/dbraw/zinc/32/09/78/1417320978.db2.gz WAWLVFKTJNCXEB-HNNXBMFYSA-N 1 0 384.354 3.434 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000136492229 1417321099 /nfs/dbraw/zinc/32/10/99/1417321099.db2.gz JQUAYXXBTOWPPJ-CQSZACIVSA-N 1 0 384.354 3.434 20 5 GGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000136497668 1417321633 /nfs/dbraw/zinc/32/16/33/1417321633.db2.gz KMKWRIDTVDAQDJ-HNNXBMFYSA-N 1 0 384.354 3.434 20 5 GGBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000178805743 1429175586 /nfs/dbraw/zinc/17/55/86/1429175586.db2.gz HIOFGMLWIBELHH-HUUCEWRRSA-N 1 0 397.479 3.362 20 5 GGBDRO C[C@H]1C[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000137447825 1417385774 /nfs/dbraw/zinc/38/57/74/1417385774.db2.gz RNTYKRNOSFFSQL-FUHWJXTLSA-N 1 0 383.448 3.143 20 5 GGBDRO O=c1cc(CN2CC[NH+](C[C@H]3CCOC3)CC2)c2c(ccc3ccccc32)o1 ZINC000178827716 1429185075 /nfs/dbraw/zinc/18/50/75/1429185075.db2.gz DPZGRAHZFJVIEZ-QGZVFWFLSA-N 1 0 378.472 3.100 20 5 GGBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000138210401 1417407445 /nfs/dbraw/zinc/40/74/45/1417407445.db2.gz WQOARBVHABOYKL-UHFFFAOYSA-N 1 0 387.392 3.425 20 5 GGBDRO COCC[NH+]1CCC(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000138559624 1417425165 /nfs/dbraw/zinc/42/51/65/1417425165.db2.gz GUTAEBQAJKWYHM-UHFFFAOYSA-N 1 0 398.463 3.179 20 5 GGBDRO COCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 ZINC000138626276 1417430097 /nfs/dbraw/zinc/43/00/97/1417430097.db2.gz AAVWOPQJZAOPHJ-UHFFFAOYSA-N 1 0 399.447 3.228 20 5 GGBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000139187664 1417451535 /nfs/dbraw/zinc/45/15/35/1417451535.db2.gz RRZOEDFBZXLEAC-WMZOPIPTSA-N 1 0 383.448 3.315 20 5 GGBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1C ZINC000139254346 1417454007 /nfs/dbraw/zinc/45/40/07/1417454007.db2.gz OZTGDWMQQGJNRW-HLLBOEOZSA-N 1 0 395.525 3.238 20 5 GGBDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)n1 ZINC000140212691 1417492510 /nfs/dbraw/zinc/49/25/10/1417492510.db2.gz PHVAFVYGWLEQAI-KRWDZBQOSA-N 1 0 382.420 3.433 20 5 GGBDRO CC(C)(C)OC(=O)[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000178838022 1429189263 /nfs/dbraw/zinc/18/92/63/1429189263.db2.gz VBNBNZXPMFYKPH-HNNXBMFYSA-N 1 0 387.436 3.456 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCC([C@@H](O)C(F)(F)F)CC3)o2)c1 ZINC000140900401 1417521077 /nfs/dbraw/zinc/52/10/77/1417521077.db2.gz OOIKKDCXDGPYHE-QGZVFWFLSA-N 1 0 399.369 3.428 20 5 GGBDRO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178861529 1429200700 /nfs/dbraw/zinc/20/07/00/1429200700.db2.gz HCTSIHRTOCEMIU-RDTXWAMCSA-N 1 0 393.484 3.253 20 5 GGBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000178864143 1429201387 /nfs/dbraw/zinc/20/13/87/1429201387.db2.gz GTYIQCFHGVPSCZ-HRCADAONSA-N 1 0 388.512 3.277 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000145666497 1417694996 /nfs/dbraw/zinc/69/49/96/1417694996.db2.gz DVVQHVCYORUTJZ-UHFFFAOYSA-N 1 0 389.477 3.307 20 5 GGBDRO CNc1ccc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1[N+](=O)[O-] ZINC000146043659 1417708170 /nfs/dbraw/zinc/70/81/70/1417708170.db2.gz GUOVDSMNTYPHTD-UHFFFAOYSA-N 1 0 386.477 3.438 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000146998104 1417736376 /nfs/dbraw/zinc/73/63/76/1417736376.db2.gz BVALBHSLDXMZJR-NRFANRHFSA-N 1 0 397.475 3.416 20 5 GGBDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000147395602 1417746647 /nfs/dbraw/zinc/74/66/47/1417746647.db2.gz AYXFGRWRSMQWPD-UHFFFAOYSA-N 1 0 386.477 3.287 20 5 GGBDRO CCCN(C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000178885375 1429210792 /nfs/dbraw/zinc/21/07/92/1429210792.db2.gz PJWJNNFWLWIUHL-NVXWUHKLSA-N 1 0 397.479 3.377 20 5 GGBDRO CCCN(C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000178885366 1429210838 /nfs/dbraw/zinc/21/08/38/1429210838.db2.gz PJWJNNFWLWIUHL-RDJZCZTQSA-N 1 0 397.479 3.377 20 5 GGBDRO CN(C(=O)c1csc([N+](=O)[O-])c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000178877036 1429207950 /nfs/dbraw/zinc/20/79/50/1429207950.db2.gz YLZZOMVEMZIXRI-SJORKVTESA-N 1 0 394.541 3.066 20 5 GGBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150744729 1417796738 /nfs/dbraw/zinc/79/67/38/1417796738.db2.gz IQYMHTZTBKAFCH-INIZCTEOSA-N 1 0 395.887 3.494 20 5 GGBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150811085 1417811781 /nfs/dbraw/zinc/81/17/81/1417811781.db2.gz CUIBSSPFIAQMPP-SFHVURJKSA-N 1 0 386.496 3.286 20 5 GGBDRO O=C(c1cc(N2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000150884213 1417827834 /nfs/dbraw/zinc/82/78/34/1417827834.db2.gz KVSXXKLYSDMJSH-QGZVFWFLSA-N 1 0 386.496 3.286 20 5 GGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CCC(=O)OC(C)(C)C ZINC000150937525 1417839276 /nfs/dbraw/zinc/83/92/76/1417839276.db2.gz DWYPGXHCRIJHIP-NSHDSACASA-N 1 0 385.848 3.239 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000150940280 1417840153 /nfs/dbraw/zinc/84/01/53/1417840153.db2.gz OJHDSFFLJFNRJX-HZPDHXFCSA-N 1 0 397.475 3.490 20 5 GGBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000150951261 1417842585 /nfs/dbraw/zinc/84/25/85/1417842585.db2.gz MAQWKHNGHMGMDV-IAGOWNOFSA-N 1 0 381.476 3.410 20 5 GGBDRO COc1cc(C(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000150990894 1417850794 /nfs/dbraw/zinc/85/07/94/1417850794.db2.gz SMHAZXHKKFLZGK-HZPDHXFCSA-N 1 0 397.475 3.490 20 5 GGBDRO COc1cc(C(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000150990844 1417850921 /nfs/dbraw/zinc/85/09/21/1417850921.db2.gz SMHAZXHKKFLZGK-HOTGVXAUSA-N 1 0 397.475 3.490 20 5 GGBDRO C[NH+](C)CCn1ccc2ccc(NC(=O)COc3cccc([N+](=O)[O-])c3)cc21 ZINC000150994867 1417851609 /nfs/dbraw/zinc/85/16/09/1417851609.db2.gz ZIEOHXNWXCNOPB-UHFFFAOYSA-N 1 0 382.420 3.129 20 5 GGBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)C1 ZINC000151024345 1417857617 /nfs/dbraw/zinc/85/76/17/1417857617.db2.gz PLXFRANSMQAGQN-AWEZNQCLSA-N 1 0 385.420 3.220 20 5 GGBDRO Cc1cc(C(=O)Nc2ccc(C(=O)OC3CC[NH2+]CC3)cc2)cc([N+](=O)[O-])c1 ZINC000151139954 1417880564 /nfs/dbraw/zinc/88/05/64/1417880564.db2.gz YWIGYHGLAIWMRM-UHFFFAOYSA-N 1 0 383.404 3.064 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000151205300 1417893514 /nfs/dbraw/zinc/89/35/14/1417893514.db2.gz FNLVEVFOCVBVQP-UHFFFAOYSA-N 1 0 383.404 3.064 20 5 GGBDRO COc1ccccc1[C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000151226118 1417897711 /nfs/dbraw/zinc/89/77/11/1417897711.db2.gz QQRYEVCHONAJRL-HXUWFJFHSA-N 1 0 397.475 3.489 20 5 GGBDRO O=C(Nc1cccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1)c1ccccc1Cl ZINC000151250253 1417903772 /nfs/dbraw/zinc/90/37/72/1417903772.db2.gz FWMBAPHWHGPZRF-UHFFFAOYSA-N 1 0 399.838 3.487 20 5 GGBDRO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000151254346 1417904871 /nfs/dbraw/zinc/90/48/71/1417904871.db2.gz HWVNPYHIKJSECS-UHFFFAOYSA-N 1 0 395.250 3.382 20 5 GGBDRO COc1cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)ccc1OCc1cccs1 ZINC000151262261 1417906908 /nfs/dbraw/zinc/90/69/08/1417906908.db2.gz XFJSMUYGQYUPRR-UHFFFAOYSA-N 1 0 388.449 3.230 20 5 GGBDRO Cc1ccc(-n2cc(C[NH2+]CCn3cc([N+](=O)[O-])cn3)c(C(C)(C)C)n2)cc1 ZINC000151270193 1417909678 /nfs/dbraw/zinc/90/96/78/1417909678.db2.gz JFGDVHLRDSTWRI-UHFFFAOYSA-N 1 0 382.468 3.373 20 5 GGBDRO CSc1ccc(C(=O)c2ccccc2C(=O)NCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000151501171 1418004818 /nfs/dbraw/zinc/00/48/18/1418004818.db2.gz ZZIUNLCZZIVHMX-UHFFFAOYSA-N 1 0 399.472 3.030 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000151673116 1418057430 /nfs/dbraw/zinc/05/74/30/1418057430.db2.gz FKEGJDOOBHNHLF-UHFFFAOYSA-N 1 0 389.477 3.194 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000151684730 1418060449 /nfs/dbraw/zinc/06/04/49/1418060449.db2.gz ZLJKNDFCKCZGFV-QAPCUYQASA-N 1 0 387.436 3.413 20 5 GGBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000151725077 1418071707 /nfs/dbraw/zinc/07/17/07/1418071707.db2.gz KWSFNGYHZUMZQX-HXUWFJFHSA-N 1 0 381.476 3.208 20 5 GGBDRO CN(C(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1)[C@H]1CCC[N@H+](C)C1 ZINC000151761441 1418080756 /nfs/dbraw/zinc/08/07/56/1418080756.db2.gz FDOAWMFSQHZWFK-KRWDZBQOSA-N 1 0 396.447 3.013 20 5 GGBDRO CN(C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000151762233 1418081333 /nfs/dbraw/zinc/08/13/33/1418081333.db2.gz YFDIMEGKHAEDME-LJQANCHMSA-N 1 0 396.447 3.013 20 5 GGBDRO CCCC[N@H+](C)CC1CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000151802635 1418090641 /nfs/dbraw/zinc/09/06/41/1418090641.db2.gz HYODMOOCROHVLH-UHFFFAOYSA-N 1 0 386.500 3.255 20 5 GGBDRO C[NH+]1CCC(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)CC1 ZINC000151953018 1418102400 /nfs/dbraw/zinc/10/24/00/1418102400.db2.gz QILOOXRGZXAVCK-UHFFFAOYSA-N 1 0 390.665 3.082 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000152024644 1418123949 /nfs/dbraw/zinc/12/39/49/1418123949.db2.gz PXLKANMXQXBMEV-JKSUJKDBSA-N 1 0 388.468 3.047 20 5 GGBDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000152031847 1418125861 /nfs/dbraw/zinc/12/58/61/1418125861.db2.gz ZBBYUBUXNPTSCV-UHFFFAOYSA-N 1 0 395.463 3.468 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000152033063 1418126488 /nfs/dbraw/zinc/12/64/88/1418126488.db2.gz KYCGOKKFIJSONR-ZWKOTPCHSA-N 1 0 398.511 3.397 20 5 GGBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)COc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000178990970 1429236289 /nfs/dbraw/zinc/23/62/89/1429236289.db2.gz REHBLWMKDXBNMP-UHFFFAOYSA-N 1 0 397.475 3.371 20 5 GGBDRO Cn1cc(C[NH2+]CCOc2ncccc2Cl)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000152070175 1418136912 /nfs/dbraw/zinc/13/69/12/1418136912.db2.gz DRFWOYZQJFTGRX-UHFFFAOYSA-N 1 0 387.827 3.212 20 5 GGBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C[C@@]2(O)CCOC2)cc1 ZINC000179025261 1429244984 /nfs/dbraw/zinc/24/49/84/1429244984.db2.gz BHEKEJLMKZRKMC-SFHVURJKSA-N 1 0 378.812 3.282 20 5 GGBDRO C[C@@H](C[NH3+])N(C)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000179193224 1429290725 /nfs/dbraw/zinc/29/07/25/1429290725.db2.gz FARPJTSFOBHBNJ-LBPRGKRZSA-N 1 0 376.844 3.280 20 5 GGBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1OCC(=O)N(C)C ZINC000179320413 1429327963 /nfs/dbraw/zinc/32/79/63/1429327963.db2.gz RFJWGYGOQYJJOC-UHFFFAOYSA-N 1 0 385.464 3.472 20 5 GGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H](O)CN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000179485553 1429390150 /nfs/dbraw/zinc/39/01/50/1429390150.db2.gz NJLBNYJUCQWLCW-VDGAXYAQSA-N 1 0 399.491 3.280 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179516243 1429405264 /nfs/dbraw/zinc/40/52/64/1429405264.db2.gz RMGKEOFZLRSING-HNNXBMFYSA-N 1 0 398.467 3.107 20 5 GGBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2ccccc2C[NH+]2CCCC2)s1 ZINC000179564025 1429435867 /nfs/dbraw/zinc/43/58/67/1429435867.db2.gz MTKMKRZOQCFGEC-UHFFFAOYSA-N 1 0 395.506 3.268 20 5 GGBDRO O=C1CCCN1C[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000179568352 1429440486 /nfs/dbraw/zinc/44/04/86/1429440486.db2.gz YVUKDICJDPIOBT-FQEVSTJZSA-N 1 0 383.448 3.317 20 5 GGBDRO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccc(OC(F)F)c1 ZINC000179578976 1429449355 /nfs/dbraw/zinc/44/93/55/1429449355.db2.gz UXFADTBVYCBYAP-LBPRGKRZSA-N 1 0 391.374 3.436 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000179582517 1429452218 /nfs/dbraw/zinc/45/22/18/1429452218.db2.gz RTQSBRSXEKAUTH-NSHDSACASA-N 1 0 395.362 3.494 20 5 GGBDRO C[C@H](CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000179601107 1429464679 /nfs/dbraw/zinc/46/46/79/1429464679.db2.gz VWWWGJSEBKTGCC-CYBMUJFWSA-N 1 0 397.522 3.382 20 5 GGBDRO COc1cc(C)c([C@H](C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1OC ZINC000179626839 1429477416 /nfs/dbraw/zinc/47/74/16/1429477416.db2.gz IVVUWOXCVIUYSJ-AWEZNQCLSA-N 1 0 399.447 3.160 20 5 GGBDRO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000179665959 1429497770 /nfs/dbraw/zinc/49/77/70/1429497770.db2.gz HSTNTFSUKFBPIG-WBVHZDCISA-N 1 0 396.875 3.191 20 5 GGBDRO COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000179665969 1429497918 /nfs/dbraw/zinc/49/79/18/1429497918.db2.gz HSTNTFSUKFBPIG-NVXWUHKLSA-N 1 0 396.875 3.191 20 5 GGBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(OCc2ccccn2)c1 ZINC000179686167 1429507064 /nfs/dbraw/zinc/50/70/64/1429507064.db2.gz AVPFUSYIINHVMB-INIZCTEOSA-N 1 0 394.431 3.081 20 5 GGBDRO COc1ccc([C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)[NH+]2CCCCC2)cc1 ZINC000152318408 1422070905 /nfs/dbraw/zinc/07/09/05/1422070905.db2.gz GJUAPAIYWQCRCU-OAQYLSRUSA-N 1 0 397.475 3.489 20 5 GGBDRO CC(C)CC[NH+]1CCC(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000152332961 1422074914 /nfs/dbraw/zinc/07/49/14/1422074914.db2.gz KOJBLYNIAAUNHY-UHFFFAOYSA-N 1 0 399.495 3.268 20 5 GGBDRO O=C(Nc1ccc(F)cc1)C1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000152348157 1422079635 /nfs/dbraw/zinc/07/96/35/1422079635.db2.gz HYOHWNQDXGPZMN-UHFFFAOYSA-N 1 0 397.410 3.392 20 5 GGBDRO C[C@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000179731568 1429527105 /nfs/dbraw/zinc/52/71/05/1429527105.db2.gz QPWUQDRNNUYLBL-RBZFPXEDSA-N 1 0 397.431 3.434 20 5 GGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000152619172 1422170450 /nfs/dbraw/zinc/17/04/50/1422170450.db2.gz MICNXMQYAWSUPZ-OAHLLOKOSA-N 1 0 391.855 3.201 20 5 GGBDRO O=C(CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000179752599 1429539207 /nfs/dbraw/zinc/53/92/07/1429539207.db2.gz LBDWBEIQQSVCEA-OAQYLSRUSA-N 1 0 397.431 3.436 20 5 GGBDRO CCOc1ccc([C@H](C)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000152855210 1422272531 /nfs/dbraw/zinc/27/25/31/1422272531.db2.gz QIYRDECOVJOJIL-OXJNMPFZSA-N 1 0 399.491 3.063 20 5 GGBDRO CCOc1ccc([C@@H](C)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000152855102 1422272943 /nfs/dbraw/zinc/27/29/43/1422272943.db2.gz QIYRDECOVJOJIL-OXQOHEQNSA-N 1 0 399.491 3.063 20 5 GGBDRO C[C@@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000179760113 1429545169 /nfs/dbraw/zinc/54/51/69/1429545169.db2.gz XUHAFJMSTPVXLL-XCLFUZPHSA-N 1 0 397.431 3.434 20 5 GGBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c1 ZINC000153053370 1422340767 /nfs/dbraw/zinc/34/07/67/1422340767.db2.gz IIDXOTTZCRXIRW-LXZKKBNFSA-N 1 0 398.385 3.097 20 5 GGBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)c1 ZINC000153053263 1422340803 /nfs/dbraw/zinc/34/08/03/1422340803.db2.gz IIDXOTTZCRXIRW-QRTARXTBSA-N 1 0 398.385 3.097 20 5 GGBDRO C[C@@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000179767733 1429550380 /nfs/dbraw/zinc/55/03/80/1429550380.db2.gz IVCJCRLWOAQSQQ-OAHLLOKOSA-N 1 0 382.464 3.465 20 5 GGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000153170136 1422380558 /nfs/dbraw/zinc/38/05/58/1422380558.db2.gz BKXUEMGLUUOSSP-BBRMVZONSA-N 1 0 378.400 3.223 20 5 GGBDRO CCOCCCNC(=O)C1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000153199608 1422390436 /nfs/dbraw/zinc/39/04/36/1422390436.db2.gz HYFFPXZYGLPXQA-UHFFFAOYSA-N 1 0 391.512 3.473 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCN(Cc4ccncc4)CC3)o2)c1 ZINC000153243682 1422414496 /nfs/dbraw/zinc/41/44/96/1422414496.db2.gz PFOXVOLOGARPNZ-UHFFFAOYSA-N 1 0 393.447 3.005 20 5 GGBDRO Cn1cc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c(-c2ccccc2)n1 ZINC000179781076 1429559636 /nfs/dbraw/zinc/55/96/36/1429559636.db2.gz BRXKRNXYPGNINB-UHFFFAOYSA-N 1 0 377.448 3.318 20 5 GGBDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000153352787 1422487426 /nfs/dbraw/zinc/48/74/26/1422487426.db2.gz CQYAHIKVQBNORV-UHFFFAOYSA-N 1 0 377.828 3.158 20 5 GGBDRO CSc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000153357782 1422490373 /nfs/dbraw/zinc/49/03/73/1422490373.db2.gz KGNKXMGYQWEWSB-HOCLYGCPSA-N 1 0 375.494 3.406 20 5 GGBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153365592 1422497093 /nfs/dbraw/zinc/49/70/93/1422497093.db2.gz QTMAFSYKEVUPFM-DNVCBOLYSA-N 1 0 384.480 3.258 20 5 GGBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000153365834 1422497598 /nfs/dbraw/zinc/49/75/98/1422497598.db2.gz QTMAFSYKEVUPFM-HNAYVOBHSA-N 1 0 384.480 3.258 20 5 GGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000153633682 1422662024 /nfs/dbraw/zinc/66/20/24/1422662024.db2.gz LQPBCOANBVOFLY-TZMCWYRMSA-N 1 0 396.390 3.362 20 5 GGBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000153664517 1422688788 /nfs/dbraw/zinc/68/87/88/1422688788.db2.gz VFBDYMKWPGSBKH-IRXDYDNUSA-N 1 0 388.512 3.421 20 5 GGBDRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000153670292 1422694854 /nfs/dbraw/zinc/69/48/54/1422694854.db2.gz CXPSTYABLIROFF-LJQANCHMSA-N 1 0 398.463 3.483 20 5 GGBDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000153700994 1422709558 /nfs/dbraw/zinc/70/95/58/1422709558.db2.gz NHBPOHWHGNKKGM-UHFFFAOYSA-N 1 0 397.903 3.459 20 5 GGBDRO O=C(NC1CC1)c1ccc(C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000153706984 1422713320 /nfs/dbraw/zinc/71/33/20/1422713320.db2.gz UNKPNNRLHBGMJD-OAQYLSRUSA-N 1 0 395.459 3.185 20 5 GGBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](Cc1ccccc1)c1ccccc1F ZINC000179807273 1429580612 /nfs/dbraw/zinc/58/06/12/1429580612.db2.gz FDPWUBZCOLLWPM-FQEVSTJZSA-N 1 0 381.407 3.469 20 5 GGBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)[C@@H]3CCC[N@H+](C)C3)cc2[N+](=O)[O-])C1 ZINC000153746095 1422734808 /nfs/dbraw/zinc/73/48/08/1422734808.db2.gz JXVKBGOUONZAMG-JFIYKMOQSA-N 1 0 388.512 3.243 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)NCC[NH2+]C(C)(C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000153821968 1422780429 /nfs/dbraw/zinc/78/04/29/1422780429.db2.gz MPCVOSRDCZTXBI-AWEZNQCLSA-N 1 0 385.468 3.281 20 5 GGBDRO CCOc1ccc([C@H](C)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000153875906 1422803473 /nfs/dbraw/zinc/80/34/73/1422803473.db2.gz HGRURWMDAVWDCQ-HOTGVXAUSA-N 1 0 377.485 3.145 20 5 GGBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000153956537 1422816714 /nfs/dbraw/zinc/81/67/14/1422816714.db2.gz QRHLMBIQGLDOLI-UHFFFAOYSA-N 1 0 375.469 3.088 20 5 GGBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000154015494 1422825803 /nfs/dbraw/zinc/82/58/03/1422825803.db2.gz KTVNNCKTAAXSNK-UHFFFAOYSA-N 1 0 390.440 3.231 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@H](Oc4ccncc4)C3)o2)c1 ZINC000154019802 1422826823 /nfs/dbraw/zinc/82/68/23/1422826823.db2.gz ISZKHDPJCYEZGJ-SFHVURJKSA-N 1 0 380.404 3.341 20 5 GGBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000154027593 1422828328 /nfs/dbraw/zinc/82/83/28/1422828328.db2.gz GSIMZWOVJWQHCA-UHFFFAOYSA-N 1 0 375.469 3.088 20 5 GGBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000154085181 1422837926 /nfs/dbraw/zinc/83/79/26/1422837926.db2.gz JWURMVMERXTYLA-KBXCAEBGSA-N 1 0 375.494 3.162 20 5 GGBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000154089872 1422838976 /nfs/dbraw/zinc/83/89/76/1422838976.db2.gz CNOOVZBRTFLCCX-HOTGVXAUSA-N 1 0 386.496 3.493 20 5 GGBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000154137643 1422845438 /nfs/dbraw/zinc/84/54/38/1422845438.db2.gz HVLNDUWNXYRQSG-UHFFFAOYSA-N 1 0 375.469 3.088 20 5 GGBDRO O=C(NCc1ccc(-n2ccnc2)c(F)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000154160547 1422848491 /nfs/dbraw/zinc/84/84/91/1422848491.db2.gz YDPBUKNLRBKTMD-UHFFFAOYSA-N 1 0 395.394 3.188 20 5 GGBDRO CC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccc(OC)cc1 ZINC000154170057 1422849956 /nfs/dbraw/zinc/84/99/56/1422849956.db2.gz UQVZXXLCBUGTSI-UHFFFAOYSA-N 1 0 387.436 3.463 20 5 GGBDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000154350039 1422876743 /nfs/dbraw/zinc/87/67/43/1422876743.db2.gz IMKRAQLBDGQIGM-UHFFFAOYSA-N 1 0 386.427 3.046 20 5 GGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](Cc2ccccc2)C[C@H](O)c2ccco2)c1 ZINC000154429418 1422887721 /nfs/dbraw/zinc/88/77/21/1422887721.db2.gz ZIGLMIYXPXMUIE-PMACEKPBSA-N 1 0 382.416 3.457 20 5 GGBDRO O=C(NC[C@H]1CCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1 ZINC000154482978 1422894956 /nfs/dbraw/zinc/89/49/56/1422894956.db2.gz IHLMQIXLSIQVBF-UXHICEINSA-N 1 0 398.463 3.304 20 5 GGBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000154501463 1422897485 /nfs/dbraw/zinc/89/74/85/1422897485.db2.gz XGIZCDBKWPALQR-UHFFFAOYSA-N 1 0 386.496 3.286 20 5 GGBDRO C[NH+](C)Cc1ccc(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1F ZINC000154569455 1422937018 /nfs/dbraw/zinc/93/70/18/1422937018.db2.gz UXVSQZQEKLZRSF-UHFFFAOYSA-N 1 0 388.443 3.304 20 5 GGBDRO C[NH2+]C[C@H](C)CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000154641160 1422977284 /nfs/dbraw/zinc/97/72/84/1422977284.db2.gz HGCFEPZICVFQDD-ZDUSSCGKSA-N 1 0 390.871 3.446 20 5 GGBDRO COc1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000179841032 1429605307 /nfs/dbraw/zinc/60/53/07/1429605307.db2.gz MMIOFNORSWCTPV-HNNXBMFYSA-N 1 0 399.447 3.463 20 5 GGBDRO CC1CC[NH+](C[C@@H]2CCCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)CC1 ZINC000154732977 1423014723 /nfs/dbraw/zinc/01/47/23/1423014723.db2.gz ZGUURIRIZQLBIV-KRWDZBQOSA-N 1 0 389.496 3.405 20 5 GGBDRO Cc1ccc([C@@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)[NH+]2CCCC2)o1 ZINC000154818328 1423043777 /nfs/dbraw/zinc/04/37/77/1423043777.db2.gz FLSSZRFOEIYMEY-LJQANCHMSA-N 1 0 398.463 3.401 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000179857607 1429611916 /nfs/dbraw/zinc/61/19/16/1429611916.db2.gz TWILEJFWWPYQDR-MSOLQXFVSA-N 1 0 389.496 3.018 20 5 GGBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(N2CCCC2=O)c1 ZINC000155109130 1423170451 /nfs/dbraw/zinc/17/04/51/1423170451.db2.gz MAVRBYLEWCLRGJ-CQSZACIVSA-N 1 0 382.420 3.011 20 5 GGBDRO C[C@@H](CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000155144981 1423194174 /nfs/dbraw/zinc/19/41/74/1423194174.db2.gz XZIWMBUSUISEQT-NSHDSACASA-N 1 0 385.262 3.211 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000155147150 1423195804 /nfs/dbraw/zinc/19/58/04/1423195804.db2.gz GFPNZFZEJKXAOO-SFHVURJKSA-N 1 0 388.512 3.430 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(OCCN3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000155164147 1423204781 /nfs/dbraw/zinc/20/47/81/1423204781.db2.gz AXYIHPDLYBLCBX-SFHVURJKSA-N 1 0 399.491 3.465 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cccc(OCCN2CCOCC2)c1 ZINC000155168950 1423208186 /nfs/dbraw/zinc/20/81/86/1423208186.db2.gz APOGINGEFWSVAB-GOSISDBHSA-N 1 0 399.491 3.465 20 5 GGBDRO Cn1cc(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000155210172 1423247343 /nfs/dbraw/zinc/24/73/43/1423247343.db2.gz OUCWJBXBDVFILP-OAQYLSRUSA-N 1 0 391.475 3.484 20 5 GGBDRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000155210240 1423247633 /nfs/dbraw/zinc/24/76/33/1423247633.db2.gz IHJIBMWQXUZTST-UHFFFAOYSA-N 1 0 387.278 3.409 20 5 GGBDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000155224234 1423256200 /nfs/dbraw/zinc/25/62/00/1423256200.db2.gz UQORNSAUAWQJCH-LLVKDONJSA-N 1 0 385.262 3.211 20 5 GGBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000155287173 1423301344 /nfs/dbraw/zinc/30/13/44/1423301344.db2.gz LOSMYOUFNVIINF-UHFFFAOYSA-N 1 0 391.497 3.353 20 5 GGBDRO COc1ccc([C@H]2CC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)C2)cc1 ZINC000155339543 1423323267 /nfs/dbraw/zinc/32/32/67/1423323267.db2.gz AEEXMABKEZXMQE-INIZCTEOSA-N 1 0 399.447 3.430 20 5 GGBDRO COc1ccc([C@H]2CC[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)C2)cc1 ZINC000155339776 1423323398 /nfs/dbraw/zinc/32/33/98/1423323398.db2.gz ACEVOKBZHKGFCL-INIZCTEOSA-N 1 0 399.447 3.430 20 5 GGBDRO Cc1cc(F)cc(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000155483700 1423381859 /nfs/dbraw/zinc/38/18/59/1423381859.db2.gz BVFCBKARLZFMTP-CQSZACIVSA-N 1 0 386.427 3.393 20 5 GGBDRO CC[NH+](CC)[C@@H]1CCN(Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000179915536 1429638175 /nfs/dbraw/zinc/63/81/75/1429638175.db2.gz GJSMLKNYAUNUGV-CQSZACIVSA-N 1 0 387.427 3.163 20 5 GGBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](CNC(C)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000155567697 1423423115 /nfs/dbraw/zinc/42/31/15/1423423115.db2.gz MOQOCTLRXGWXBT-HNNXBMFYSA-N 1 0 387.436 3.212 20 5 GGBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000155626795 1423454615 /nfs/dbraw/zinc/45/46/15/1423454615.db2.gz UHOOKEFIBBPOAD-MOEXGYKKSA-N 1 0 380.448 3.345 20 5 GGBDRO COc1cc(C[N@H+](C[C@H]2CCOC2)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179924843 1429643928 /nfs/dbraw/zinc/64/39/28/1429643928.db2.gz ZQCVWSMBHCBFSC-GFCCVEGCSA-N 1 0 386.395 3.248 20 5 GGBDRO Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)c(OCC[NH+](C)C)c1 ZINC000155826388 1423550275 /nfs/dbraw/zinc/55/02/75/1423550275.db2.gz CEKHCRCLDZXMEF-UHFFFAOYSA-N 1 0 375.400 3.164 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000155922628 1423595646 /nfs/dbraw/zinc/59/56/46/1423595646.db2.gz YPUGLUMDRGFOMW-IBGZPJMESA-N 1 0 383.448 3.115 20 5 GGBDRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000179944905 1429655726 /nfs/dbraw/zinc/65/57/26/1429655726.db2.gz UTXUSCKZRBPFBC-LJQANCHMSA-N 1 0 388.489 3.499 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000155950515 1423607101 /nfs/dbraw/zinc/60/71/01/1423607101.db2.gz PYBGGLFBANRBTL-FQEVSTJZSA-N 1 0 383.448 3.115 20 5 GGBDRO O=[N+]([O-])c1cc(C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)c2c(c1)COCO2 ZINC000156022180 1423637664 /nfs/dbraw/zinc/63/76/64/1423637664.db2.gz LJXCQWUWXKHDOZ-FQEVSTJZSA-N 1 0 384.432 3.234 20 5 GGBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000156171112 1423705494 /nfs/dbraw/zinc/70/54/94/1423705494.db2.gz IWBARZBKPNJDBM-INMHGKMJSA-N 1 0 397.479 3.362 20 5 GGBDRO Cc1cccn2cc(CC[NH2+][C@@H](C)CC(=O)Nc3cccc([N+](=O)[O-])c3)nc12 ZINC000156311232 1423772282 /nfs/dbraw/zinc/77/22/82/1423772282.db2.gz OMMSLHJDWLVYEU-HNNXBMFYSA-N 1 0 381.436 3.100 20 5 GGBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000156331243 1423783846 /nfs/dbraw/zinc/78/38/46/1423783846.db2.gz RCDHIPPXWVXUAM-NWDGAFQWSA-N 1 0 388.390 3.001 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(F)cc1 ZINC000156410330 1423806967 /nfs/dbraw/zinc/80/69/67/1423806967.db2.gz ZAXAGSJFSWPTGU-LJQANCHMSA-N 1 0 384.411 3.177 20 5 GGBDRO NC(=O)[C@H]1CC[N@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000157074785 1423917702 /nfs/dbraw/zinc/91/77/02/1423917702.db2.gz SPZFBOJVILNEGF-ZDUSSCGKSA-N 1 0 375.812 3.348 20 5 GGBDRO NC(=O)[C@@H]1CC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000157156715 1423939789 /nfs/dbraw/zinc/93/97/89/1423939789.db2.gz FILAFOVVDSJYCX-CYBMUJFWSA-N 1 0 375.812 3.348 20 5 GGBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000157212898 1423957390 /nfs/dbraw/zinc/95/73/90/1423957390.db2.gz JZGBMXOOVNACFJ-XLIONFOSSA-N 1 0 389.499 3.097 20 5 GGBDRO O=[N+]([O-])c1cnn(CCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000157316185 1423982728 /nfs/dbraw/zinc/98/27/28/1423982728.db2.gz INNOWSDCGCPOOM-UHFFFAOYSA-N 1 0 391.475 3.199 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000157570167 1424040334 /nfs/dbraw/zinc/04/03/34/1424040334.db2.gz ONWBKVRNVLNWHL-CQSZACIVSA-N 1 0 392.475 3.433 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000180016181 1429693336 /nfs/dbraw/zinc/69/33/36/1429693336.db2.gz ZHHBHZOGUNDQFP-HNNXBMFYSA-N 1 0 383.514 3.004 20 5 GGBDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000180016168 1429693422 /nfs/dbraw/zinc/69/34/22/1429693422.db2.gz ZHHBHZOGUNDQFP-OAHLLOKOSA-N 1 0 383.514 3.004 20 5 GGBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CCc3nc(-c4ccccc4)no3)CC2)c1 ZINC000157586050 1424043359 /nfs/dbraw/zinc/04/33/59/1424043359.db2.gz ZWYHUUOKRLWCLZ-UHFFFAOYSA-N 1 0 379.420 3.010 20 5 GGBDRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)ccc2NC1=O ZINC000180017516 1429694863 /nfs/dbraw/zinc/69/48/63/1429694863.db2.gz FAHHUWCKNIMYBW-OCBCSQNSSA-N 1 0 385.420 3.089 20 5 GGBDRO C[C@@H]1CN(c2ccc(C[NH2+][C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)cn2)CCO1 ZINC000157690151 1424065278 /nfs/dbraw/zinc/06/52/78/1424065278.db2.gz HRGNSDNDASCLFO-UZLBHIALSA-N 1 0 396.491 3.326 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C)C1 ZINC000157822659 1424096495 /nfs/dbraw/zinc/09/64/95/1424096495.db2.gz NNLXLLIZVPZHKV-CZUORRHYSA-N 1 0 383.876 3.115 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000157943856 1424126095 /nfs/dbraw/zinc/12/60/95/1424126095.db2.gz BWQWNVCEYBZKTI-HNNXBMFYSA-N 1 0 399.447 3.430 20 5 GGBDRO COc1ccccc1[C@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000158049364 1424148630 /nfs/dbraw/zinc/14/86/30/1424148630.db2.gz KFFFHTICELWCOY-HNAYVOBHSA-N 1 0 381.432 3.198 20 5 GGBDRO [NH3+][C@H]1CCCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000158101953 1424168570 /nfs/dbraw/zinc/16/85/70/1424168570.db2.gz WANLGIFLRQQRBN-HNNXBMFYSA-N 1 0 388.855 3.424 20 5 GGBDRO CCOC(=O)c1cc(NCC2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC000180046395 1429712033 /nfs/dbraw/zinc/71/20/33/1429712033.db2.gz FVRZNDKILBPSKL-UHFFFAOYSA-N 1 0 384.436 3.495 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CCN(c4ncccn4)CC3)s2)cc1 ZINC000158803073 1424346258 /nfs/dbraw/zinc/34/62/58/1424346258.db2.gz QCNQLYCALJAMMC-UHFFFAOYSA-N 1 0 381.461 3.436 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000158952340 1424380073 /nfs/dbraw/zinc/38/00/73/1424380073.db2.gz WVJPDYUSHCNRGY-UHFFFAOYSA-N 1 0 395.525 3.180 20 5 GGBDRO Cc1ccc(S(=O)(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000158954858 1424380951 /nfs/dbraw/zinc/38/09/51/1424380951.db2.gz RKGLKMACCMIACP-UHFFFAOYSA-N 1 0 395.525 3.180 20 5 GGBDRO CCOC(=O)CC1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000159039057 1424402122 /nfs/dbraw/zinc/40/21/22/1424402122.db2.gz VKSOUTNVKZIASP-UHFFFAOYSA-N 1 0 386.452 3.161 20 5 GGBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000159085219 1424413535 /nfs/dbraw/zinc/41/35/35/1424413535.db2.gz HUKIQODKVYRJKI-YESZJQIVSA-N 1 0 388.512 3.149 20 5 GGBDRO O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000159378304 1424498071 /nfs/dbraw/zinc/49/80/71/1424498071.db2.gz JSASVCUCLIFUIS-OAQYLSRUSA-N 1 0 380.448 3.033 20 5 GGBDRO COc1ccc([C@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000159490929 1424507004 /nfs/dbraw/zinc/50/70/04/1424507004.db2.gz ZLDAMQPNDJHUCV-IBGZPJMESA-N 1 0 387.411 3.309 20 5 GGBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000159517216 1424510150 /nfs/dbraw/zinc/51/01/50/1424510150.db2.gz VMGGVHZMUSMEEH-UHFFFAOYSA-N 1 0 382.464 3.145 20 5 GGBDRO COc1cccc([C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2C)[NH+]2CCCC2)c1 ZINC000159673283 1424523279 /nfs/dbraw/zinc/52/32/79/1424523279.db2.gz CHVRHXQYKUAXOJ-OAQYLSRUSA-N 1 0 397.475 3.408 20 5 GGBDRO CC[NH+](CC)Cc1cccc(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC000159905222 1424551625 /nfs/dbraw/zinc/55/16/25/1424551625.db2.gz CPAVMNRMKSWNRP-UHFFFAOYSA-N 1 0 384.480 3.479 20 5 GGBDRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000160087845 1424573063 /nfs/dbraw/zinc/57/30/63/1424573063.db2.gz NZESIILOVDEASN-MRXNPFEDSA-N 1 0 397.475 3.290 20 5 GGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1ccsc1 ZINC000160152695 1424580497 /nfs/dbraw/zinc/58/04/97/1424580497.db2.gz COVUBFCYVUJXFQ-INIZCTEOSA-N 1 0 377.466 3.478 20 5 GGBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000160707401 1424628916 /nfs/dbraw/zinc/62/89/16/1424628916.db2.gz KULJCDACCXPGEO-CQSZACIVSA-N 1 0 375.812 3.474 20 5 GGBDRO [NH3+][C@@H](CCC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000160910874 1424644217 /nfs/dbraw/zinc/64/42/17/1424644217.db2.gz CFCBQWNYNKGMBO-FQEVSTJZSA-N 1 0 383.448 3.445 20 5 GGBDRO C[C@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000160914204 1424644437 /nfs/dbraw/zinc/64/44/37/1424644437.db2.gz UDQRSGUFSBGKAM-MGPUTAFESA-N 1 0 383.448 3.301 20 5 GGBDRO [NH3+][C@@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1cccc(Cl)c1 ZINC000160921928 1424644919 /nfs/dbraw/zinc/64/49/19/1424644919.db2.gz HYURPRZYULCMCK-GOSISDBHSA-N 1 0 389.839 3.318 20 5 GGBDRO CC1CC[NH+](C2CCC(NS(=O)(=O)c3cccc(F)c3[N+](=O)[O-])CC2)CC1 ZINC000160962316 1424647822 /nfs/dbraw/zinc/64/78/22/1424647822.db2.gz QDDZRMHJKNAFBR-UHFFFAOYSA-N 1 0 399.488 3.055 20 5 GGBDRO CCCN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000161087047 1424657261 /nfs/dbraw/zinc/65/72/61/1424657261.db2.gz FFNBJOJTRWBSEG-INIZCTEOSA-N 1 0 378.450 3.254 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c1 ZINC000161483222 1424694644 /nfs/dbraw/zinc/69/46/44/1424694644.db2.gz YKLXESAZMFUBIF-UHFFFAOYSA-N 1 0 375.469 3.376 20 5 GGBDRO CC1CC[NH+](C2CCC(NC(=O)COc3ccc([N+](=O)[O-])c(F)c3)CC2)CC1 ZINC000161548368 1424706483 /nfs/dbraw/zinc/70/64/83/1424706483.db2.gz BQNUSXCMRBJOCH-UHFFFAOYSA-N 1 0 393.459 3.272 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000161554444 1424709375 /nfs/dbraw/zinc/70/93/75/1424709375.db2.gz DHUUEZOXTOTWHG-UONOGXRCSA-N 1 0 377.466 3.257 20 5 GGBDRO CC1CC[NH+](C2CCC(NC(=O)COc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000161594483 1424719798 /nfs/dbraw/zinc/71/97/98/1424719798.db2.gz SNKPJTYGTPMLGJ-UHFFFAOYSA-N 1 0 375.469 3.133 20 5 GGBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000161632893 1424730151 /nfs/dbraw/zinc/73/01/51/1424730151.db2.gz BEBOWMKPSKDUPM-MRXNPFEDSA-N 1 0 398.463 3.009 20 5 GGBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)[C@H]1CN(C)CCO1 ZINC000161727285 1424751531 /nfs/dbraw/zinc/75/15/31/1424751531.db2.gz KHAKZGFJRWECBO-CXAGYDPISA-N 1 0 393.509 3.078 20 5 GGBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)[C@H]1CN(C)CCO1 ZINC000161727157 1424751638 /nfs/dbraw/zinc/75/16/38/1424751638.db2.gz KHAKZGFJRWECBO-SUMWQHHRSA-N 1 0 393.509 3.078 20 5 GGBDRO CC(C)[C@@H](CCO)[NH2+][C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000161919481 1424796720 /nfs/dbraw/zinc/79/67/20/1424796720.db2.gz SYXZNTORDSMJIO-IUODEOHRSA-N 1 0 392.481 3.042 20 5 GGBDRO COC(=O)c1cc([N+](=O)[O-])c(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000161927937 1424799081 /nfs/dbraw/zinc/79/90/81/1424799081.db2.gz GMOLWRMLRRDTNR-WBMJQRKESA-N 1 0 393.871 3.488 20 5 GGBDRO C[NH+](C)CCN(Cc1ccccc1F)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000161968200 1424804531 /nfs/dbraw/zinc/80/45/31/1424804531.db2.gz SSGUMIGLOMBCPQ-UHFFFAOYSA-N 1 0 386.427 3.187 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2OCCN2CCOCC2)cc1[N+](=O)[O-] ZINC000162024167 1424809582 /nfs/dbraw/zinc/80/95/82/1424809582.db2.gz HLERCXFXEPELLN-SFHVURJKSA-N 1 0 399.491 3.465 20 5 GGBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000162044206 1424811390 /nfs/dbraw/zinc/81/13/90/1424811390.db2.gz NHGOTOFVEUICEO-CQSZACIVSA-N 1 0 388.493 3.426 20 5 GGBDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000162500241 1424859429 /nfs/dbraw/zinc/85/94/29/1424859429.db2.gz LKPSWHBFAZTSIP-SFHVURJKSA-N 1 0 392.843 3.079 20 5 GGBDRO COCC[N@H+](C)CCCC1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000162561413 1424866062 /nfs/dbraw/zinc/86/60/62/1424866062.db2.gz JPBOERFRWKXMPB-UHFFFAOYSA-N 1 0 380.445 3.078 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(OC(C)(C)C)CC1 ZINC000162598063 1424870292 /nfs/dbraw/zinc/87/02/92/1424870292.db2.gz OKBWXZAQNHLAEF-UHFFFAOYSA-N 1 0 379.457 3.212 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000163050470 1424931217 /nfs/dbraw/zinc/93/12/17/1424931217.db2.gz PJHUYDWYOBPDLS-WWGRRREGSA-N 1 0 385.420 3.085 20 5 GGBDRO CC(C)OC(=O)C[C@@H](NC(=O)C[C@H]([NH3+])c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000163339078 1424981433 /nfs/dbraw/zinc/98/14/33/1424981433.db2.gz SXFZPAIFXHLLPI-ZWKOTPCHSA-N 1 0 399.447 3.184 20 5 GGBDRO CC(C)OC(=O)C[C@@H](NC(=O)C[C@@H]([NH3+])c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000163339347 1424981938 /nfs/dbraw/zinc/98/19/38/1424981938.db2.gz SXFZPAIFXHLLPI-QZTJIDSGSA-N 1 0 399.447 3.184 20 5 GGBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000163514303 1425010669 /nfs/dbraw/zinc/01/06/69/1425010669.db2.gz UEXATDFBWCTPHB-HOTGVXAUSA-N 1 0 380.920 3.239 20 5 GGBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@@H]21 ZINC000163565450 1425018456 /nfs/dbraw/zinc/01/84/56/1425018456.db2.gz JSWNKIMHCFMCDW-RISCZKNCSA-N 1 0 384.383 3.144 20 5 GGBDRO CCOC[C@H]1CCC[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000180158835 1429771841 /nfs/dbraw/zinc/77/18/41/1429771841.db2.gz DPGURNCAWMEAKR-ZDUSSCGKSA-N 1 0 388.411 3.496 20 5 GGBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 ZINC000163873928 1425053058 /nfs/dbraw/zinc/05/30/58/1425053058.db2.gz MKLIHWMMMBPFNS-UHFFFAOYSA-N 1 0 382.464 3.375 20 5 GGBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000164136607 1425079780 /nfs/dbraw/zinc/07/97/80/1425079780.db2.gz LFPNGYASDDCBET-QGZVFWFLSA-N 1 0 382.464 3.231 20 5 GGBDRO Cc1c(CC(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000164180729 1425084560 /nfs/dbraw/zinc/08/45/60/1425084560.db2.gz LKPIXTCKKSHVOM-UHFFFAOYSA-N 1 0 396.491 3.006 20 5 GGBDRO Cc1ccc([C@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)N2CCOCC2)o1 ZINC000164606573 1425128487 /nfs/dbraw/zinc/12/84/87/1425128487.db2.gz BXLNNHNYTPMFHF-CTNGQTDRSA-N 1 0 399.491 3.480 20 5 GGBDRO Cc1nn(CN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000164806196 1425143792 /nfs/dbraw/zinc/14/37/92/1425143792.db2.gz GWNWQIUEOYCHQR-UXHICEINSA-N 1 0 383.496 3.352 20 5 GGBDRO Cc1nn(CN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000164806067 1425144023 /nfs/dbraw/zinc/14/40/23/1425144023.db2.gz GWNWQIUEOYCHQR-WOJBJXKFSA-N 1 0 383.496 3.352 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000165671345 1425191421 /nfs/dbraw/zinc/19/14/21/1425191421.db2.gz BWEIMXVLCAFVLW-UHFFFAOYSA-N 1 0 388.512 3.430 20 5 GGBDRO Cc1cc(N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)nc2ccccc12 ZINC000170503243 1425263543 /nfs/dbraw/zinc/26/35/43/1425263543.db2.gz UNPUMQRIDDWPFA-UHFFFAOYSA-N 1 0 376.416 3.414 20 5 GGBDRO Cc1ccc([C@@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000170633704 1425267727 /nfs/dbraw/zinc/26/77/27/1425267727.db2.gz HSCJXJBBFVGACE-QGZVFWFLSA-N 1 0 387.436 3.218 20 5 GGBDRO C[NH+](C)CCOc1ccccc1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000170640054 1425271493 /nfs/dbraw/zinc/27/14/93/1425271493.db2.gz MFQBTRDERLIUGJ-UHFFFAOYSA-N 1 0 384.436 3.032 20 5 GGBDRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000170647307 1425274181 /nfs/dbraw/zinc/27/41/81/1425274181.db2.gz XJGWMKKMROTBGX-HNNXBMFYSA-N 1 0 379.457 3.210 20 5 GGBDRO CC(C)(O)C[NH+]1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000170686152 1425298444 /nfs/dbraw/zinc/29/84/44/1425298444.db2.gz XRUXCPQBSCFZBQ-UHFFFAOYSA-N 1 0 381.782 3.160 20 5 GGBDRO Cc1cc(C(=O)NC2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)c(C)o1 ZINC000170775641 1425336383 /nfs/dbraw/zinc/33/63/83/1425336383.db2.gz WWCDEJFTHPCUMK-UHFFFAOYSA-N 1 0 387.436 3.078 20 5 GGBDRO Cc1cc(C(=O)NC2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)c(C)o1 ZINC000170775508 1425336962 /nfs/dbraw/zinc/33/69/62/1425336962.db2.gz QYCWPWZVZXXONX-UHFFFAOYSA-N 1 0 387.436 3.078 20 5 GGBDRO COc1ccc(CC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1F ZINC000170874376 1425376761 /nfs/dbraw/zinc/37/67/61/1425376761.db2.gz CNNFVLUUCOAXRO-UHFFFAOYSA-N 1 0 384.411 3.475 20 5 GGBDRO O=C(NCC1CC1)[C@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000170912989 1425388548 /nfs/dbraw/zinc/38/85/48/1425388548.db2.gz MHKZUGFJZFOINH-KRWDZBQOSA-N 1 0 398.463 3.031 20 5 GGBDRO COc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000170917622 1425390201 /nfs/dbraw/zinc/39/02/01/1425390201.db2.gz IRBKNYTYNNQMGD-OAHLLOKOSA-N 1 0 379.457 3.292 20 5 GGBDRO CN(C[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000170919384 1425392504 /nfs/dbraw/zinc/39/25/04/1425392504.db2.gz UOMAHVOSLANGFT-OAHLLOKOSA-N 1 0 379.457 3.162 20 5 GGBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc4ccccc4c4cccnc34)C2)CC1 ZINC000170949968 1425411157 /nfs/dbraw/zinc/41/11/57/1425411157.db2.gz STSRWBBXIDGGNU-LJQANCHMSA-N 1 0 388.515 3.240 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000171356388 1425636401 /nfs/dbraw/zinc/63/64/01/1425636401.db2.gz CNPHGRVMYUFSEZ-INIZCTEOSA-N 1 0 388.424 3.463 20 5 GGBDRO CCc1n[nH]c(C(=O)NC[C@H](c2ccccc2Cl)[NH+](CC)CC)c1[N+](=O)[O-] ZINC000171397384 1425661612 /nfs/dbraw/zinc/66/16/12/1425661612.db2.gz KTAXZHJFFJXFGK-OAHLLOKOSA-N 1 0 393.875 3.347 20 5 GGBDRO CCc1n[nH]c(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000171399656 1425662249 /nfs/dbraw/zinc/66/22/49/1425662249.db2.gz ANADUEYFEUJLAK-CQSZACIVSA-N 1 0 385.468 3.042 20 5 GGBDRO CCc1n[nH]c(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000171399798 1425662407 /nfs/dbraw/zinc/66/24/07/1425662407.db2.gz HMGFTQSMNNIPIN-AWEZNQCLSA-N 1 0 385.468 3.042 20 5 GGBDRO CCc1n[nH]c(C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000171400013 1425663102 /nfs/dbraw/zinc/66/31/02/1425663102.db2.gz MZTGMMXOGKMFKL-HUUCEWRRSA-N 1 0 399.495 3.288 20 5 GGBDRO CC[C@@H]([NH2+]CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000171974384 1425865448 /nfs/dbraw/zinc/86/54/48/1425865448.db2.gz OWICIGGXFKVYSE-MRXNPFEDSA-N 1 0 377.466 3.151 20 5 GGBDRO CC[NH+](CC)CCCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000171980032 1425866474 /nfs/dbraw/zinc/86/64/74/1425866474.db2.gz SQZXXXPVWRHGTA-UHFFFAOYSA-N 1 0 376.501 3.437 20 5 GGBDRO CC[NH+](CC)CCCCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000171980238 1425866497 /nfs/dbraw/zinc/86/64/97/1425866497.db2.gz UPAGLRBKKJAFHG-UHFFFAOYSA-N 1 0 379.504 3.393 20 5 GGBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000171979351 1425866712 /nfs/dbraw/zinc/86/67/12/1425866712.db2.gz JCJTXAIRDOPHEY-KRWDZBQOSA-N 1 0 376.504 3.144 20 5 GGBDRO Cn1cc(C[NH2+]CCc2ccc3c(c2)CCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000172015469 1425874181 /nfs/dbraw/zinc/87/41/81/1425874181.db2.gz CYQGHPZSSURFKS-UHFFFAOYSA-N 1 0 378.432 3.263 20 5 GGBDRO CC(C)C[N@@H+]1CCO[C@@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000172112268 1425899457 /nfs/dbraw/zinc/89/94/57/1425899457.db2.gz DIJDXGMEIGIYOO-SFHVURJKSA-N 1 0 390.509 3.165 20 5 GGBDRO CCOc1ccccc1C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000172168430 1425930594 /nfs/dbraw/zinc/93/05/94/1425930594.db2.gz SQTIDDKXFSLHFE-UHFFFAOYSA-N 1 0 387.436 3.463 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000172201087 1425944874 /nfs/dbraw/zinc/94/48/74/1425944874.db2.gz QNMBGBCQPINLHX-UHFFFAOYSA-N 1 0 399.451 3.308 20 5 GGBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000172204360 1425946348 /nfs/dbraw/zinc/94/63/48/1425946348.db2.gz GHOXCWFLTBUJER-IBGZPJMESA-N 1 0 382.464 3.401 20 5 GGBDRO CN(C(=O)NCc1cccc([N+](=O)[O-])c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000172256515 1425970177 /nfs/dbraw/zinc/97/01/77/1425970177.db2.gz AOTJXJAYELOQQZ-UHFFFAOYSA-N 1 0 382.464 3.401 20 5 GGBDRO CC[NH+](CC)[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000172710505 1426153989 /nfs/dbraw/zinc/15/39/89/1426153989.db2.gz SCCYEZICOSPYEM-HXUWFJFHSA-N 1 0 385.464 3.345 20 5 GGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000172841439 1426214972 /nfs/dbraw/zinc/21/49/72/1426214972.db2.gz FBEAAVBTKOEHNA-GOSISDBHSA-N 1 0 391.515 3.488 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1SC ZINC000172843774 1426216326 /nfs/dbraw/zinc/21/63/26/1426216326.db2.gz VIAILLDZEKYVRX-ZDUSSCGKSA-N 1 0 381.498 3.272 20 5 GGBDRO COc1cccc([C@@H](CNC(=O)c2cc(C)ccc2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000172956552 1426283133 /nfs/dbraw/zinc/28/31/33/1426283133.db2.gz LSSWNCLRZKEDHL-HXUWFJFHSA-N 1 0 383.448 3.479 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC[C@@H](COCc4ccccc4)C3)n2)c1 ZINC000172970739 1426288713 /nfs/dbraw/zinc/28/87/13/1426288713.db2.gz ZTTMRRMMEYVYIP-GOSISDBHSA-N 1 0 393.447 3.350 20 5 GGBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000173023063 1426311844 /nfs/dbraw/zinc/31/18/44/1426311844.db2.gz UQXBXCGHOKEUBH-UHFFFAOYSA-N 1 0 377.510 3.005 20 5 GGBDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)Cc3cccc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000173075164 1426332232 /nfs/dbraw/zinc/33/22/32/1426332232.db2.gz DFYLZJWVIHWIKS-CALCHBBNSA-N 1 0 397.475 3.063 20 5 GGBDRO CN(CC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000173132690 1426355775 /nfs/dbraw/zinc/35/57/75/1426355775.db2.gz KHQTWTISNFTPNV-QGZVFWFLSA-N 1 0 388.493 3.046 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(-n2cccn2)c1 ZINC000173198729 1426388313 /nfs/dbraw/zinc/38/83/13/1426388313.db2.gz LLJAJBBGVBEPBN-CABCVRRESA-N 1 0 379.420 3.458 20 5 GGBDRO C[C@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000173198719 1426388555 /nfs/dbraw/zinc/38/85/55/1426388555.db2.gz LLJAJBBGVBEPBN-GJZGRUSLSA-N 1 0 379.420 3.458 20 5 GGBDRO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(-n2cccn2)c1 ZINC000173206019 1426393277 /nfs/dbraw/zinc/39/32/77/1426393277.db2.gz LSKNQSJBQCCKRA-YWZLYKJASA-N 1 0 391.431 3.237 20 5 GGBDRO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(-n2cccn2)c1 ZINC000173206034 1426393477 /nfs/dbraw/zinc/39/34/77/1426393477.db2.gz LSKNQSJBQCCKRA-QRWLVFNGSA-N 1 0 391.431 3.237 20 5 GGBDRO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000173264388 1426442359 /nfs/dbraw/zinc/44/23/59/1426442359.db2.gz YCYCEVBAIIEWSU-GOSISDBHSA-N 1 0 386.496 3.189 20 5 GGBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])c1 ZINC000173296960 1426478623 /nfs/dbraw/zinc/47/86/23/1426478623.db2.gz WSOSKMHXSXQNPK-UHFFFAOYSA-N 1 0 384.480 3.188 20 5 GGBDRO C[C@H]([NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173334879 1426516400 /nfs/dbraw/zinc/51/64/00/1426516400.db2.gz KCJCCSKJFROVGC-HNNXBMFYSA-N 1 0 383.448 3.146 20 5 GGBDRO COc1ccc(OCC[NH2+]C2(c3ccc(F)cc3)CCOCC2)c([N+](=O)[O-])c1 ZINC000173352314 1426529055 /nfs/dbraw/zinc/52/90/55/1426529055.db2.gz WEJRWTUFYGPFIK-UHFFFAOYSA-N 1 0 390.411 3.417 20 5 GGBDRO CC(C)CNC(=O)c1cccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000173467922 1426643115 /nfs/dbraw/zinc/64/31/15/1426643115.db2.gz DGLCYMKIRIUOSQ-SFHVURJKSA-N 1 0 397.479 3.062 20 5 GGBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000173514931 1426685221 /nfs/dbraw/zinc/68/52/21/1426685221.db2.gz FTUDISFAQFZLGM-SFHVURJKSA-N 1 0 379.464 3.356 20 5 GGBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000173516252 1426688917 /nfs/dbraw/zinc/68/89/17/1426688917.db2.gz HKTLQWVZTNPFHH-SFHVURJKSA-N 1 0 379.464 3.356 20 5 GGBDRO C[C@@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1Cc1ccccc1 ZINC000173527174 1426701684 /nfs/dbraw/zinc/70/16/84/1426701684.db2.gz FPYIFKGZQCKDGR-OAHLLOKOSA-N 1 0 393.447 3.208 20 5 GGBDRO C[C@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1Cc1ccccc1 ZINC000173527194 1426702049 /nfs/dbraw/zinc/70/20/49/1426702049.db2.gz FPYIFKGZQCKDGR-HNNXBMFYSA-N 1 0 393.447 3.208 20 5 GGBDRO C[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000173530008 1426704589 /nfs/dbraw/zinc/70/45/89/1426704589.db2.gz IKCHISOMCXGQBM-KRWDZBQOSA-N 1 0 383.448 3.097 20 5 GGBDRO C[C@@H]1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[N@@H+]1Cc1ccccc1 ZINC000173532615 1426706919 /nfs/dbraw/zinc/70/69/19/1426706919.db2.gz GFQKCELLIUILMG-MRXNPFEDSA-N 1 0 396.447 3.057 20 5 GGBDRO COc1ccc(OCC[N@@H+](Cc2ccco2)C[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000173565982 1426735099 /nfs/dbraw/zinc/73/50/99/1426735099.db2.gz HKXNIBSPQKCATC-QGZVFWFLSA-N 1 0 376.409 3.256 20 5 GGBDRO C[C@H](CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000173593093 1426756282 /nfs/dbraw/zinc/75/62/82/1426756282.db2.gz CPNGJGKAQJHZBN-OAHLLOKOSA-N 1 0 389.427 3.140 20 5 GGBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173595488 1426760757 /nfs/dbraw/zinc/76/07/57/1426760757.db2.gz DGOLFMFDSJDIBE-HUUCEWRRSA-N 1 0 394.903 3.383 20 5 GGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173601242 1426770107 /nfs/dbraw/zinc/77/01/07/1426770107.db2.gz YXZKBCGIKHQYJV-HUUCEWRRSA-N 1 0 394.903 3.383 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000173612304 1426790112 /nfs/dbraw/zinc/79/01/12/1426790112.db2.gz MOVGRFLRFXHPCJ-UHFFFAOYSA-N 1 0 382.464 3.211 20 5 GGBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173645941 1426808731 /nfs/dbraw/zinc/80/87/31/1426808731.db2.gz HBBJVQPIOOLUIO-FQEVSTJZSA-N 1 0 382.464 3.045 20 5 GGBDRO O=C(CC[N@@H+]1CC[C@H](COCc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000173651107 1426810540 /nfs/dbraw/zinc/81/05/40/1426810540.db2.gz SAOGXEUIMAHANP-SFHVURJKSA-N 1 0 383.448 3.462 20 5 GGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000173653618 1426811206 /nfs/dbraw/zinc/81/12/06/1426811206.db2.gz RPRCNYTYNSXJIZ-WMZOPIPTSA-N 1 0 383.448 3.461 20 5 GGBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](Cc2ccccc2F)C2CCCCC2)c1 ZINC000173666260 1426814480 /nfs/dbraw/zinc/81/44/80/1426814480.db2.gz BYNGFOGGVXYDDB-SFHVURJKSA-N 1 0 376.432 3.126 20 5 GGBDRO C[C@H]([NH2+]C1(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CCOCC1)c1ccccc1 ZINC000173745898 1426837932 /nfs/dbraw/zinc/83/79/32/1426837932.db2.gz WLHXKFHWCKZIGP-KRWDZBQOSA-N 1 0 397.475 3.154 20 5 GGBDRO COc1ccc(OCCN2CC[NH+](C3CCC(C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000173757585 1426841491 /nfs/dbraw/zinc/84/14/91/1426841491.db2.gz XPJZQAJAKWSKGS-UHFFFAOYSA-N 1 0 377.485 3.179 20 5 GGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000173802305 1426855614 /nfs/dbraw/zinc/85/56/14/1426855614.db2.gz HZZWXCFFFPQSRV-GOSISDBHSA-N 1 0 391.515 3.345 20 5 GGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000173811919 1426858085 /nfs/dbraw/zinc/85/80/85/1426858085.db2.gz CYAVZACGDCJIQD-QGZVFWFLSA-N 1 0 388.512 3.389 20 5 GGBDRO Cc1cccc(N2CC[NH+](CCC(=O)N(C)Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000173898287 1426884496 /nfs/dbraw/zinc/88/44/96/1426884496.db2.gz AURXTWJRPGVVIU-UHFFFAOYSA-N 1 0 396.491 3.074 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173972845 1426917955 /nfs/dbraw/zinc/91/79/55/1426917955.db2.gz JLCNHHORNOCHCP-LJQANCHMSA-N 1 0 396.491 3.296 20 5 GGBDRO O=[N+]([O-])c1ccc(N2CCC(OCC[NH+]3CCCC3)CC2)cc1OC(F)F ZINC000173999219 1426934840 /nfs/dbraw/zinc/93/48/40/1426934840.db2.gz FAQSMUWNCSEEHA-UHFFFAOYSA-N 1 0 385.411 3.277 20 5 GGBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(-n2cccn2)c1 ZINC000174131472 1427015523 /nfs/dbraw/zinc/01/55/23/1427015523.db2.gz RWMLKGJGRZEOCC-CQSZACIVSA-N 1 0 380.404 3.498 20 5 GGBDRO CCc1ccc(C(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000174168921 1427030618 /nfs/dbraw/zinc/03/06/18/1427030618.db2.gz BJAPRWVIPMXBMY-HOTGVXAUSA-N 1 0 389.496 3.119 20 5 GGBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174186117 1427038664 /nfs/dbraw/zinc/03/86/64/1427038664.db2.gz MTLJWTARDUWROG-UHFFFAOYSA-N 1 0 396.875 3.357 20 5 GGBDRO CC[NH+](CC)C[C@@H]1CCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000174211980 1427053247 /nfs/dbraw/zinc/05/32/47/1427053247.db2.gz VJTCIVIXSFPATA-ZDUSSCGKSA-N 1 0 387.427 3.369 20 5 GGBDRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000174376526 1427127866 /nfs/dbraw/zinc/12/78/66/1427127866.db2.gz SEXNJFXUVFQHIL-HUUCEWRRSA-N 1 0 379.420 3.458 20 5 GGBDRO COc1cc(C[NH2+]C[C@H]2CCC[C@H](O)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000174428262 1427152167 /nfs/dbraw/zinc/15/21/67/1427152167.db2.gz APCFCSLJNVUARJ-AAEUAGOBSA-N 1 0 392.374 3.185 20 5 GGBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(-n2cccn2)cc1 ZINC000174435868 1427155816 /nfs/dbraw/zinc/15/58/16/1427155816.db2.gz POFHJQOCSUZBTA-CQSZACIVSA-N 1 0 380.404 3.498 20 5 GGBDRO CS(=O)(=O)C1CCC([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000174459214 1427166522 /nfs/dbraw/zinc/16/65/22/1427166522.db2.gz MAJKORRQOOXOIW-UHFFFAOYSA-N 1 0 395.506 3.164 20 5 GGBDRO O=C1[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCN1c1ccc(OC(F)F)cc1 ZINC000174569294 1427229459 /nfs/dbraw/zinc/22/94/59/1427229459.db2.gz MHYHDEACWBYJQO-KRWDZBQOSA-N 1 0 391.374 3.481 20 5 GGBDRO CC1CCN(c2ccc(C(=O)N3CC[C@@H]4CC[C@H](C3)[N@@H+]4C)cc2[N+](=O)[O-])CC1 ZINC000174632712 1427277461 /nfs/dbraw/zinc/27/74/61/1427277461.db2.gz MJLNVBXEWXTGOZ-ZWKOTPCHSA-N 1 0 386.496 3.140 20 5 GGBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000174658966 1427292917 /nfs/dbraw/zinc/29/29/17/1427292917.db2.gz NQCKOTURVQQJDQ-AEFFLSMTSA-N 1 0 386.496 3.140 20 5 GGBDRO COc1ccc(NC(=O)C[N@H+](C)[C@H]2CCCN(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000174678376 1427304943 /nfs/dbraw/zinc/30/49/43/1427304943.db2.gz ASRINHDMXMMFDS-KRWDZBQOSA-N 1 0 398.463 3.143 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000174680451 1427306425 /nfs/dbraw/zinc/30/64/25/1427306425.db2.gz OLYWRMIKVFWIQS-LJQANCHMSA-N 1 0 382.464 3.443 20 5 GGBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174755658 1427350368 /nfs/dbraw/zinc/35/03/68/1427350368.db2.gz UNDQIJUWARYXJY-UHFFFAOYSA-N 1 0 396.875 3.357 20 5 GGBDRO COc1ccc(NC(=O)CC[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000174802303 1427377036 /nfs/dbraw/zinc/37/70/36/1427377036.db2.gz FZEHQZOMZZEQGR-UHFFFAOYSA-N 1 0 399.447 3.475 20 5 GGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H](O)c3ccc(F)c(F)c3)CC2)cc1 ZINC000174802629 1427377473 /nfs/dbraw/zinc/37/74/73/1427377473.db2.gz PMOPNWCOONJGSX-LJQANCHMSA-N 1 0 378.375 3.450 20 5 GGBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174825004 1427388819 /nfs/dbraw/zinc/38/88/19/1427388819.db2.gz XDZUKJPSGNXQQB-UHFFFAOYSA-N 1 0 379.457 3.305 20 5 GGBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000174833262 1427394047 /nfs/dbraw/zinc/39/40/47/1427394047.db2.gz UNWSLJCZDSTHOT-UHFFFAOYSA-N 1 0 395.809 3.335 20 5 GGBDRO O=[N+]([O-])c1cnn(CC[N@@H+](CCCO)C(c2ccccc2)c2ccccc2)c1 ZINC000174844460 1427402195 /nfs/dbraw/zinc/40/21/95/1427402195.db2.gz VNVYWCPMTNHTMS-UHFFFAOYSA-N 1 0 380.448 3.265 20 5 GGBDRO CN(C(=O)C[N@H+](CCCO)[C@H]1CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000174906120 1427439317 /nfs/dbraw/zinc/43/93/17/1427439317.db2.gz RQDGKFQWVRUYNK-NRFANRHFSA-N 1 0 397.475 3.320 20 5 GGBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000174972160 1427473277 /nfs/dbraw/zinc/47/32/77/1427473277.db2.gz FMNVAKNXVMOYQN-IBGZPJMESA-N 1 0 396.491 3.012 20 5 GGBDRO Cc1csc(C2([NH2+]C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CCCC2)n1 ZINC000175022772 1427505072 /nfs/dbraw/zinc/50/50/72/1427505072.db2.gz GFKMTPKWVQMWAP-OAHLLOKOSA-N 1 0 377.466 3.159 20 5 GGBDRO CSc1ccc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000175119426 1427556994 /nfs/dbraw/zinc/55/69/94/1427556994.db2.gz OSFSFOPRWGQIRJ-UHFFFAOYSA-N 1 0 393.509 3.034 20 5 GGBDRO C[C@@H](CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000175160733 1427574411 /nfs/dbraw/zinc/57/44/11/1427574411.db2.gz LLKFGWWWKDRWPC-HNNXBMFYSA-N 1 0 391.493 3.321 20 5 GGBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000175280713 1427644969 /nfs/dbraw/zinc/64/49/69/1427644969.db2.gz VMQXMHKEBVMXKN-LJQANCHMSA-N 1 0 397.475 3.344 20 5 GGBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000175286162 1427647603 /nfs/dbraw/zinc/64/76/03/1427647603.db2.gz VMJGKYXAZYWAFL-QGZVFWFLSA-N 1 0 382.464 3.161 20 5 GGBDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000175303890 1427663095 /nfs/dbraw/zinc/66/30/95/1427663095.db2.gz MKDBSYUMDPSNBH-UHFFFAOYSA-N 1 0 398.463 3.306 20 5 GGBDRO Cc1ccc(CNC(=O)C2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000175322686 1427677264 /nfs/dbraw/zinc/67/72/64/1427677264.db2.gz CUODREXGKMGNCQ-UHFFFAOYSA-N 1 0 397.475 3.310 20 5 GGBDRO COc1ccc(C[NH+]2CCC(C(=O)NCc3ccc(C)cc3)CC2)cc1[N+](=O)[O-] ZINC000175327186 1427680544 /nfs/dbraw/zinc/68/05/44/1427680544.db2.gz HGYRDTNJDNTSAZ-UHFFFAOYSA-N 1 0 397.475 3.440 20 5 GGBDRO CC(C)(NC(=O)NCC[N@@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000175372562 1427715141 /nfs/dbraw/zinc/71/51/41/1427715141.db2.gz YDDGVGQWOAQZTQ-UHFFFAOYSA-N 1 0 382.464 3.187 20 5 GGBDRO COc1ccc(OCC[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c([N+](=O)[O-])c1 ZINC000175411545 1427739815 /nfs/dbraw/zinc/73/98/15/1427739815.db2.gz OMKYZVHTTNKVRJ-PWFNWSNSSA-N 1 0 392.477 3.413 20 5 GGBDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000175426528 1427748414 /nfs/dbraw/zinc/74/84/14/1427748414.db2.gz OKMXMVMRXTVRHU-APWZRJJASA-N 1 0 382.464 3.447 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000175429660 1427750873 /nfs/dbraw/zinc/75/08/73/1427750873.db2.gz AIRTXODHGUFTPG-UHFFFAOYSA-N 1 0 392.500 3.161 20 5 GGBDRO C[C@H]1C[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000175456724 1427765085 /nfs/dbraw/zinc/76/50/85/1427765085.db2.gz WELHPSFXMHGVGF-QFBILLFUSA-N 1 0 382.464 3.447 20 5 GGBDRO COc1ccc(OCC[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c([N+](=O)[O-])c1 ZINC000175498266 1427790407 /nfs/dbraw/zinc/79/04/07/1427790407.db2.gz DVYVTAOIXYVADP-OAHLLOKOSA-N 1 0 397.435 3.256 20 5 GGBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1 ZINC000175892606 1427955033 /nfs/dbraw/zinc/95/50/33/1427955033.db2.gz NZWZPKIXNJLEJI-UHFFFAOYSA-N 1 0 390.827 3.391 20 5 GGBDRO C[C@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000175977063 1428008905 /nfs/dbraw/zinc/00/89/05/1428008905.db2.gz LYYMGQDFKDOYLL-KRWDZBQOSA-N 1 0 382.464 3.401 20 5 GGBDRO C[C@@H]1C[C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000176108411 1428087402 /nfs/dbraw/zinc/08/74/02/1428087402.db2.gz VAWCBNRQKWZTMR-MJGOQNOKSA-N 1 0 396.491 3.200 20 5 GGBDRO COc1cc(C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000176125514 1428099015 /nfs/dbraw/zinc/09/90/15/1428099015.db2.gz GIEFDOHFOBPAAA-UHFFFAOYSA-N 1 0 383.448 3.340 20 5 GGBDRO Cc1cc(F)cc(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000176224261 1428176630 /nfs/dbraw/zinc/17/66/30/1428176630.db2.gz MSKAOPPPEGDOOQ-QGZVFWFLSA-N 1 0 385.439 3.337 20 5 GGBDRO CC[N@H+](C)C[C@H]1CCN(Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000180225139 1429807323 /nfs/dbraw/zinc/80/73/23/1429807323.db2.gz PKAQDGYNGJJLOO-CYBMUJFWSA-N 1 0 387.427 3.021 20 5 GGBDRO COc1cc(C[N@H+](C)[C@@H](CO)C(C)(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000180240804 1429812323 /nfs/dbraw/zinc/81/23/23/1429812323.db2.gz UNXDKONCRHDJHQ-HNNXBMFYSA-N 1 0 376.400 3.086 20 5 GGBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000180278552 1429822644 /nfs/dbraw/zinc/82/26/44/1429822644.db2.gz RXNCQAXBORDNLB-UHFFFAOYSA-N 1 0 397.479 3.438 20 5 GGBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180301084 1429829878 /nfs/dbraw/zinc/82/98/78/1429829878.db2.gz CGYLWLFZUNHBET-UHFFFAOYSA-N 1 0 395.887 3.213 20 5 GGBDRO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180415567 1429862802 /nfs/dbraw/zinc/86/28/02/1429862802.db2.gz XZGQXFSDHCNMIR-HNNXBMFYSA-N 1 0 399.447 3.065 20 5 GGBDRO CC(C)NC(=O)c1ccccc1NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180424965 1429865850 /nfs/dbraw/zinc/86/58/50/1429865850.db2.gz DSXWQCFVFMJSTG-CQSZACIVSA-N 1 0 384.436 3.022 20 5 GGBDRO C[C@H]([NH2+]CC(=O)NCCc1ccc(OC(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180427940 1429867178 /nfs/dbraw/zinc/86/71/78/1429867178.db2.gz KENVFJQBRVKIEW-ZDUSSCGKSA-N 1 0 393.390 3.206 20 5 GGBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000180444156 1429870990 /nfs/dbraw/zinc/87/09/90/1429870990.db2.gz MGQILPRORSCKNA-UHFFFAOYSA-N 1 0 382.464 3.297 20 5 GGBDRO CC(C)NS(=O)(=O)CC[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000180477957 1429879058 /nfs/dbraw/zinc/87/90/58/1429879058.db2.gz KOQHFBFXJACVCE-CYBMUJFWSA-N 1 0 397.522 3.302 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000180529794 1429891148 /nfs/dbraw/zinc/89/11/48/1429891148.db2.gz RQVUACLGEZDQHW-AEFFLSMTSA-N 1 0 391.512 3.387 20 5 GGBDRO Cc1c(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cccc1[N+](=O)[O-] ZINC000180533039 1429892213 /nfs/dbraw/zinc/89/22/13/1429892213.db2.gz AEJCMLWHRJGFLE-AWEZNQCLSA-N 1 0 377.466 3.004 20 5 GGBDRO CC[C@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc2c(c1)OCCO2 ZINC000180633532 1429945182 /nfs/dbraw/zinc/94/51/82/1429945182.db2.gz JRFXEGSKEFRJGM-INIZCTEOSA-N 1 0 385.420 3.354 20 5 GGBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000180636824 1429947411 /nfs/dbraw/zinc/94/74/11/1429947411.db2.gz NQNPQMSYJBEFKU-CXAGYDPISA-N 1 0 385.420 3.434 20 5 GGBDRO CC[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000180637044 1429947445 /nfs/dbraw/zinc/94/74/45/1429947445.db2.gz WPAAUQYSPTZAQT-QGZVFWFLSA-N 1 0 385.420 3.070 20 5 GGBDRO CC[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000180637023 1429947581 /nfs/dbraw/zinc/94/75/81/1429947581.db2.gz WPAAUQYSPTZAQT-KRWDZBQOSA-N 1 0 385.420 3.070 20 5 GGBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000180703813 1429987774 /nfs/dbraw/zinc/98/77/74/1429987774.db2.gz NIIQYSGHUKVGKG-UHFFFAOYSA-N 1 0 397.431 3.026 20 5 GGBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000180775940 1430033175 /nfs/dbraw/zinc/03/31/75/1430033175.db2.gz LDLUDSKDMWSVJD-UHFFFAOYSA-N 1 0 382.464 3.483 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(F)cc1 ZINC000180803313 1430049680 /nfs/dbraw/zinc/04/96/80/1430049680.db2.gz AGIKLVZEMWHNTM-HNNXBMFYSA-N 1 0 397.353 3.368 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000180828147 1430060180 /nfs/dbraw/zinc/06/01/80/1430060180.db2.gz ZPOCZDCMFNDOIR-AWEZNQCLSA-N 1 0 395.419 3.078 20 5 GGBDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(-n2cccn2)cc1 ZINC000180839123 1430064916 /nfs/dbraw/zinc/06/49/16/1430064916.db2.gz RZQJYZSEJFESLP-OAHLLOKOSA-N 1 0 379.420 3.094 20 5 GGBDRO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(-n2cccn2)cc1 ZINC000180839103 1430065204 /nfs/dbraw/zinc/06/52/04/1430065204.db2.gz RZQJYZSEJFESLP-HNNXBMFYSA-N 1 0 379.420 3.094 20 5 GGBDRO COc1cc(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000180851326 1430070019 /nfs/dbraw/zinc/07/00/19/1430070019.db2.gz DLSBHCXTPAIYDS-CRAIPNDOSA-N 1 0 386.448 3.385 20 5 GGBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180933127 1430122133 /nfs/dbraw/zinc/12/21/33/1430122133.db2.gz KKUBTDKZSIZOQW-OAHLLOKOSA-N 1 0 382.464 3.339 20 5 GGBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000180947477 1430129254 /nfs/dbraw/zinc/12/92/54/1430129254.db2.gz UCTVSKUPQMSQSQ-MRXNPFEDSA-N 1 0 387.461 3.077 20 5 GGBDRO Cc1ccc(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)cc1[N+](=O)[O-] ZINC000180947911 1430130226 /nfs/dbraw/zinc/13/02/26/1430130226.db2.gz IVXWTAGAGZZSEX-MRXNPFEDSA-N 1 0 387.461 3.077 20 5 GGBDRO Cc1cc(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000180952147 1430131894 /nfs/dbraw/zinc/13/18/94/1430131894.db2.gz BSMFYKHJOUSZJR-MRXNPFEDSA-N 1 0 387.461 3.077 20 5 GGBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000180991766 1430156635 /nfs/dbraw/zinc/15/66/35/1430156635.db2.gz XPYSKCNLIJKOOO-UHFFFAOYSA-N 1 0 382.464 3.483 20 5 GGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCc1nc2cc(F)ccc2n1C ZINC000181004838 1430162797 /nfs/dbraw/zinc/16/27/97/1430162797.db2.gz BRBTYHKRGXSNGO-ZDUSSCGKSA-N 1 0 399.426 3.170 20 5 GGBDRO COc1cc(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2)c([N+](=O)[O-])cc1O ZINC000181027249 1430174893 /nfs/dbraw/zinc/17/48/93/1430174893.db2.gz YFUCJHWPEWYKJW-AWEZNQCLSA-N 1 0 377.828 3.331 20 5 GGBDRO COc1cc(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2)c([N+](=O)[O-])cc1O ZINC000181027227 1430174923 /nfs/dbraw/zinc/17/49/23/1430174923.db2.gz YFUCJHWPEWYKJW-CQSZACIVSA-N 1 0 377.828 3.331 20 5 GGBDRO Cc1ccc(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c(C[NH+](C)C)c1 ZINC000181133177 1430221056 /nfs/dbraw/zinc/22/10/56/1430221056.db2.gz OECIXKWVHNIRGK-IBGZPJMESA-N 1 0 382.420 3.097 20 5 GGBDRO O=C1COc2ccccc2N1CCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000181150830 1430228464 /nfs/dbraw/zinc/22/84/64/1430228464.db2.gz KNPWMVWYQGUOPJ-GOSISDBHSA-N 1 0 395.459 3.321 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000181201907 1430246501 /nfs/dbraw/zinc/24/65/01/1430246501.db2.gz MKGGOSVSSAJBOT-BEFAXECRSA-N 1 0 399.447 3.299 20 5 GGBDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3C)C2=O)c1 ZINC000181209008 1430248377 /nfs/dbraw/zinc/24/83/77/1430248377.db2.gz CQJJAUJJSYLCSR-IFXJQAMLSA-N 1 0 399.447 3.377 20 5 GGBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000181246181 1430255826 /nfs/dbraw/zinc/25/58/26/1430255826.db2.gz YATZBLDOCQIUJQ-CQSZACIVSA-N 1 0 397.431 3.279 20 5 GGBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCC3(C)CC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000181290865 1430264148 /nfs/dbraw/zinc/26/41/48/1430264148.db2.gz RORLQYHKVFTBGZ-IYBDPMFKSA-N 1 0 388.512 3.197 20 5 GGBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000181351171 1430279782 /nfs/dbraw/zinc/27/97/82/1430279782.db2.gz OPHCLACZANRGPM-UHFFFAOYSA-N 1 0 398.463 3.054 20 5 GGBDRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181378932 1430284976 /nfs/dbraw/zinc/28/49/76/1430284976.db2.gz SGBLSMWAZKDHIY-UHFFFAOYSA-N 1 0 383.404 3.214 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(N2CCCC2=O)c1 ZINC000181404235 1430289949 /nfs/dbraw/zinc/28/99/49/1430289949.db2.gz DEWYVDFFCALJKR-CABCVRRESA-N 1 0 396.447 3.399 20 5 GGBDRO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(N2CCCC2=O)c1 ZINC000181413030 1430291757 /nfs/dbraw/zinc/29/17/57/1430291757.db2.gz KZAGUTKACTYFOX-HNNXBMFYSA-N 1 0 396.447 3.401 20 5 GGBDRO CCOc1ccc([C@@H](C)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000181413307 1430292182 /nfs/dbraw/zinc/29/21/82/1430292182.db2.gz LXBWOEHWMBTYAU-BPAFIMBUSA-N 1 0 391.512 3.412 20 5 GGBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(N2CCCC2=O)c1 ZINC000181413046 1430292205 /nfs/dbraw/zinc/29/22/05/1430292205.db2.gz KZAGUTKACTYFOX-OAHLLOKOSA-N 1 0 396.447 3.401 20 5 GGBDRO COC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(F)c(F)c1 ZINC000181423871 1430295299 /nfs/dbraw/zinc/29/52/99/1430295299.db2.gz CEOXBDIEXZQXQB-SFHVURJKSA-N 1 0 393.390 3.487 20 5 GGBDRO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000181426502 1430296095 /nfs/dbraw/zinc/29/60/95/1430296095.db2.gz DWYDGFFTIBAHCU-GJZGRUSLSA-N 1 0 396.447 3.399 20 5 GGBDRO C[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181457456 1430304066 /nfs/dbraw/zinc/30/40/66/1430304066.db2.gz NBGFRERBMSWXII-GJZGRUSLSA-N 1 0 384.480 3.388 20 5 GGBDRO CC(C)[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(C(F)(F)F)cc1 ZINC000181511337 1430313232 /nfs/dbraw/zinc/31/32/32/1430313232.db2.gz QKZRXNVYQWHPKO-HZPDHXFCSA-N 1 0 386.374 3.158 20 5 GGBDRO C[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181634191 1430331993 /nfs/dbraw/zinc/33/19/93/1430331993.db2.gz KBDMEZOUWSKBBN-HOTGVXAUSA-N 1 0 397.479 3.163 20 5 GGBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000181642862 1430333401 /nfs/dbraw/zinc/33/34/01/1430333401.db2.gz RAFDKSAHVMBNDP-UONOGXRCSA-N 1 0 390.440 3.194 20 5 GGBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000181642882 1430333412 /nfs/dbraw/zinc/33/34/12/1430333412.db2.gz RAFDKSAHVMBNDP-ZIAGYGMSSA-N 1 0 390.440 3.194 20 5 GGBDRO C[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181655002 1430336110 /nfs/dbraw/zinc/33/61/10/1430336110.db2.gz DTWZJWCXVUPQSE-HZPDHXFCSA-N 1 0 397.479 3.163 20 5 GGBDRO C[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181670927 1430338902 /nfs/dbraw/zinc/33/89/02/1430338902.db2.gz MLTZHFALBYQXAU-HZPDHXFCSA-N 1 0 397.479 3.163 20 5 GGBDRO CC(C)(CCc1ccccc1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181728166 1430348717 /nfs/dbraw/zinc/34/87/17/1430348717.db2.gz PNKBJKPDPUHGRE-UHFFFAOYSA-N 1 0 376.478 3.370 20 5 GGBDRO CC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)c1cccc(S(N)(=O)=O)c1 ZINC000181746976 1430351907 /nfs/dbraw/zinc/35/19/07/1430351907.db2.gz AGQXILVNOFPVSV-FZKQIMNGSA-N 1 0 377.466 3.353 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NC[C@H]2CCN(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000181808527 1430364945 /nfs/dbraw/zinc/36/49/45/1430364945.db2.gz BIQGQYPTMZJWED-ZWKOTPCHSA-N 1 0 396.491 3.197 20 5 GGBDRO COC(=O)c1ccccc1N(C)C(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181817872 1430366387 /nfs/dbraw/zinc/36/63/87/1430366387.db2.gz DTEWKAICCMRGSU-AWEZNQCLSA-N 1 0 385.420 3.003 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000181822773 1430367656 /nfs/dbraw/zinc/36/76/56/1430367656.db2.gz ZJVQRHWIJAVDGA-ZDUSSCGKSA-N 1 0 393.390 3.472 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000181833298 1430369220 /nfs/dbraw/zinc/36/92/20/1430369220.db2.gz LCKHFJRTLYZSDG-INIZCTEOSA-N 1 0 398.463 3.029 20 5 GGBDRO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccc(N2CCCC2)c1 ZINC000181872874 1430375231 /nfs/dbraw/zinc/37/52/31/1430375231.db2.gz HGUUGPJQIJEHAT-INIZCTEOSA-N 1 0 394.475 3.435 20 5 GGBDRO Cc1ccc(OC2CC[NH+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000181891438 1430378629 /nfs/dbraw/zinc/37/86/29/1430378629.db2.gz WEFQVBAMOZFFOM-QGZVFWFLSA-N 1 0 386.448 3.186 20 5 GGBDRO CC(C)[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000181899059 1430379907 /nfs/dbraw/zinc/37/99/07/1430379907.db2.gz KWUSSBRBMAEMLY-JKSUJKDBSA-N 1 0 386.374 3.158 20 5 GGBDRO CC(C)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000181899044 1430379966 /nfs/dbraw/zinc/37/99/66/1430379966.db2.gz KWUSSBRBMAEMLY-HOTGVXAUSA-N 1 0 386.374 3.158 20 5 GGBDRO CC(C)[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000181899095 1430380048 /nfs/dbraw/zinc/38/00/48/1430380048.db2.gz KWUSSBRBMAEMLY-HZPDHXFCSA-N 1 0 386.374 3.158 20 5 GGBDRO NC(=O)C[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCCCC1 ZINC000182010162 1430395570 /nfs/dbraw/zinc/39/55/70/1430395570.db2.gz GIPPKNZOABLSLC-QGZVFWFLSA-N 1 0 386.452 3.206 20 5 GGBDRO C[C@H]([NH2+][C@@H](CC(N)=O)C1CCCCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000182036044 1430399549 /nfs/dbraw/zinc/39/95/49/1430399549.db2.gz DXUUJCRBJGPBLB-LRDDRELGSA-N 1 0 387.440 3.120 20 5 GGBDRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)O1 ZINC000182036684 1430399700 /nfs/dbraw/zinc/39/97/00/1430399700.db2.gz HXIJLKJCAXXCRK-DYVFJYSZSA-N 1 0 389.477 3.049 20 5 GGBDRO CN(C)C(=O)[C@H]1CC[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)O1 ZINC000182039692 1430400392 /nfs/dbraw/zinc/40/03/92/1430400392.db2.gz DODGLSAFPJVNJN-NVXWUHKLSA-N 1 0 389.477 3.049 20 5 GGBDRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000182064508 1430404702 /nfs/dbraw/zinc/40/47/02/1430404702.db2.gz FGMWBTMFYDOFJZ-UHFFFAOYSA-N 1 0 389.839 3.457 20 5 GGBDRO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000182073201 1430406359 /nfs/dbraw/zinc/40/63/59/1430406359.db2.gz FERSRVQZXSBXFP-UHFFFAOYSA-N 1 0 383.395 3.287 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000182143156 1430419464 /nfs/dbraw/zinc/41/94/64/1430419464.db2.gz IHQOGXZKWUDNSW-SFHVURJKSA-N 1 0 389.427 3.050 20 5 GGBDRO Cc1cccc(NC2CC[NH+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000182186048 1430426401 /nfs/dbraw/zinc/42/64/01/1430426401.db2.gz HARKWEDBDSZSDA-LJQANCHMSA-N 1 0 385.464 3.219 20 5 GGBDRO O=C(C[C@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000182200435 1430428782 /nfs/dbraw/zinc/42/87/82/1430428782.db2.gz OTQDKTGINXAPJT-CABCVRRESA-N 1 0 390.461 3.133 20 5 GGBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000182204766 1430429586 /nfs/dbraw/zinc/42/95/86/1430429586.db2.gz WGPHQMPIXIZMLD-GXTWGEPZSA-N 1 0 382.363 3.287 20 5 GGBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000182205763 1430429764 /nfs/dbraw/zinc/42/97/64/1430429764.db2.gz KERCVIBRDQJBAJ-RDTXWAMCSA-N 1 0 399.447 3.034 20 5 GGBDRO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182222798 1430432573 /nfs/dbraw/zinc/43/25/73/1430432573.db2.gz HKFSPJWXMDHSRR-ZDUSSCGKSA-N 1 0 383.395 3.191 20 5 GGBDRO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182222778 1430432676 /nfs/dbraw/zinc/43/26/76/1430432676.db2.gz HKFSPJWXMDHSRR-CYBMUJFWSA-N 1 0 383.395 3.191 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000182263474 1430439326 /nfs/dbraw/zinc/43/93/26/1430439326.db2.gz FXDJQDPXZWMZOP-RDJZCZTQSA-N 1 0 392.839 3.141 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000182263458 1430439345 /nfs/dbraw/zinc/43/93/45/1430439345.db2.gz FXDJQDPXZWMZOP-WBVHZDCISA-N 1 0 392.839 3.141 20 5 GGBDRO CN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000182265333 1430439659 /nfs/dbraw/zinc/43/96/59/1430439659.db2.gz OUYVBXJUZCSAOD-KRWDZBQOSA-N 1 0 397.431 3.060 20 5 GGBDRO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)Cc1ccc(F)cc1 ZINC000182301139 1430445088 /nfs/dbraw/zinc/44/50/88/1430445088.db2.gz QICGKVJHSGFPQE-UHFFFAOYSA-N 1 0 397.353 3.197 20 5 GGBDRO C[NH+](C)C1CCN(c2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000182367916 1430454093 /nfs/dbraw/zinc/45/40/93/1430454093.db2.gz NYSDAIRFRONQCK-UHFFFAOYSA-N 1 0 382.464 3.306 20 5 GGBDRO COc1ccc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)cc1[N+](=O)[O-] ZINC000182375445 1430455187 /nfs/dbraw/zinc/45/51/87/1430455187.db2.gz AAPJHFDIPYQJGA-UHFFFAOYSA-N 1 0 398.463 3.386 20 5 GGBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)c1ccccc1 ZINC000182410556 1430462743 /nfs/dbraw/zinc/46/27/43/1430462743.db2.gz ACYHTOPYKFGSOP-OAHLLOKOSA-N 1 0 376.478 3.324 20 5 GGBDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000182529564 1430484243 /nfs/dbraw/zinc/48/42/43/1430484243.db2.gz OQECFXUEXAWPCJ-NSHDSACASA-N 1 0 390.827 3.496 20 5 GGBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000182552756 1430490274 /nfs/dbraw/zinc/49/02/74/1430490274.db2.gz NLUCLOIQKNXFBN-UHFFFAOYSA-N 1 0 383.404 3.480 20 5 GGBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182557831 1430491758 /nfs/dbraw/zinc/49/17/58/1430491758.db2.gz KFUCCDVCHXCIPU-OAHLLOKOSA-N 1 0 379.420 3.394 20 5 GGBDRO C[C@@H](C(=O)NCC1([NH+]2CCSCC2)CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000182666612 1430513341 /nfs/dbraw/zinc/51/33/41/1430513341.db2.gz MUCUMCNZYSODBT-CQSZACIVSA-N 1 0 395.500 3.315 20 5 GGBDRO Cc1cc([C@@H](C)[NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c(C)s1 ZINC000182738718 1430530655 /nfs/dbraw/zinc/53/06/55/1430530655.db2.gz WMZUPTYASNTKGQ-SNVBAGLBSA-N 1 0 377.422 3.291 20 5 GGBDRO C[NH+](C)CCCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000182771378 1430536897 /nfs/dbraw/zinc/53/68/97/1430536897.db2.gz YGKVXKXWFKKGEJ-UHFFFAOYSA-N 1 0 385.411 3.390 20 5 GGBDRO C[NH+](C)CCN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1 ZINC000182804702 1430543150 /nfs/dbraw/zinc/54/31/50/1430543150.db2.gz CSABIVZZKFVTBK-UHFFFAOYSA-N 1 0 379.363 3.405 20 5 GGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000182819215 1430546035 /nfs/dbraw/zinc/54/60/35/1430546035.db2.gz DKYRYPYLFBANOW-LSDHHAIUSA-N 1 0 384.358 3.181 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000182881920 1430561326 /nfs/dbraw/zinc/56/13/26/1430561326.db2.gz QUDHYCQTBNGFSG-IBGZPJMESA-N 1 0 398.463 3.182 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000182881893 1430561497 /nfs/dbraw/zinc/56/14/97/1430561497.db2.gz QUDHYCQTBNGFSG-LJQANCHMSA-N 1 0 398.463 3.182 20 5 GGBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1C ZINC000183018738 1430594119 /nfs/dbraw/zinc/59/41/19/1430594119.db2.gz RIZUJNDZRYYUDZ-HOTGVXAUSA-N 1 0 395.525 3.143 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1C ZINC000183020204 1430594609 /nfs/dbraw/zinc/59/46/09/1430594609.db2.gz ZOYMDALDKVWQDJ-HZPDHXFCSA-N 1 0 395.525 3.143 20 5 GGBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1C ZINC000183032245 1430597000 /nfs/dbraw/zinc/59/70/00/1430597000.db2.gz FKETYPYFJGMIMR-JKSUJKDBSA-N 1 0 395.525 3.143 20 5 GGBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183033497 1430597593 /nfs/dbraw/zinc/59/75/93/1430597593.db2.gz SPUXYZIGWOFTBO-HOCLYGCPSA-N 1 0 395.525 3.089 20 5 GGBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183034551 1430597624 /nfs/dbraw/zinc/59/76/24/1430597624.db2.gz CTOLNYVIZPPXEG-JKSUJKDBSA-N 1 0 395.525 3.143 20 5 GGBDRO C[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101278 1430613219 /nfs/dbraw/zinc/61/32/19/1430613219.db2.gz RSBNUFOFWSMULP-CABCVRRESA-N 1 0 375.469 3.204 20 5 GGBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)o1 ZINC000183117554 1430618701 /nfs/dbraw/zinc/61/87/01/1430618701.db2.gz AZVCQUZGSBMJTM-UHFFFAOYSA-N 1 0 397.378 3.302 20 5 GGBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000183382504 1430696560 /nfs/dbraw/zinc/69/65/60/1430696560.db2.gz MWHAFUAEIZAKMG-UHFFFAOYSA-N 1 0 389.477 3.175 20 5 GGBDRO Cc1ccc([C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)N2CCOCC2)o1 ZINC000183411251 1430704372 /nfs/dbraw/zinc/70/43/72/1430704372.db2.gz GYSNCOZWBZJXBX-KRWDZBQOSA-N 1 0 379.844 3.313 20 5 GGBDRO COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000183450318 1430714737 /nfs/dbraw/zinc/71/47/37/1430714737.db2.gz SPWLKAVTBFIYKV-KGLIPLIRSA-N 1 0 385.420 3.449 20 5 GGBDRO COc1cc(F)c([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000183506792 1430730450 /nfs/dbraw/zinc/73/04/50/1430730450.db2.gz JFNYYBPLMITEET-GFCCVEGCSA-N 1 0 391.399 3.431 20 5 GGBDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183548959 1430739985 /nfs/dbraw/zinc/73/99/85/1430739985.db2.gz RCMHIPIWNKKMTP-UHFFFAOYSA-N 1 0 387.440 3.032 20 5 GGBDRO CCCN(C(=O)c1cc([N+](=O)[O-])cnc1N)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183551074 1430740599 /nfs/dbraw/zinc/74/05/99/1430740599.db2.gz YUSQDHLTHAPQQE-QGZVFWFLSA-N 1 0 397.479 3.089 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](c1nc(C)cs1)C1CC1 ZINC000183561853 1430742365 /nfs/dbraw/zinc/74/23/65/1430742365.db2.gz OXZWTJORVANCRO-QGZVFWFLSA-N 1 0 390.465 3.438 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000183583582 1430746945 /nfs/dbraw/zinc/74/69/45/1430746945.db2.gz UAUFSCGOEVEYGD-HNNXBMFYSA-N 1 0 379.420 3.378 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1cccc(-n2cccn2)c1 ZINC000183583600 1430747256 /nfs/dbraw/zinc/74/72/56/1430747256.db2.gz UAUFSCGOEVEYGD-OAHLLOKOSA-N 1 0 379.420 3.378 20 5 GGBDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000183588637 1430748759 /nfs/dbraw/zinc/74/87/59/1430748759.db2.gz JNNRMHJSWXEPOK-QGZVFWFLSA-N 1 0 387.440 3.203 20 5 GGBDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183627499 1430757836 /nfs/dbraw/zinc/75/78/36/1430757836.db2.gz RKLQKPGJGCLSKM-UHFFFAOYSA-N 1 0 377.470 3.427 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183648570 1430763426 /nfs/dbraw/zinc/76/34/26/1430763426.db2.gz OXINTUZGLUMPBO-HNNXBMFYSA-N 1 0 375.473 3.498 20 5 GGBDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000183655244 1430765049 /nfs/dbraw/zinc/76/50/49/1430765049.db2.gz CPFUYPYDKUMTJK-IBGZPJMESA-N 1 0 394.468 3.365 20 5 GGBDRO O=C1c2ccccc2C(=O)N1CCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000183740742 1430784786 /nfs/dbraw/zinc/78/47/86/1430784786.db2.gz ZUHBIEGPHODHLX-UHFFFAOYSA-N 1 0 387.823 3.414 20 5 GGBDRO CC1([C@H]2CCC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)OCCO1 ZINC000183877112 1430807844 /nfs/dbraw/zinc/80/78/44/1430807844.db2.gz NHLVTTKBBPPQLZ-INIZCTEOSA-N 1 0 387.436 3.267 20 5 GGBDRO C[C@H](C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000184066876 1430836960 /nfs/dbraw/zinc/83/69/60/1430836960.db2.gz ZUAUONFKPWUGDK-AVYPCKFXSA-N 1 0 385.439 3.474 20 5 GGBDRO Cc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1NC(=O)CC[NH+](C)C ZINC000184099866 1430841023 /nfs/dbraw/zinc/84/10/23/1430841023.db2.gz RMWMYUONZQRHRG-UHFFFAOYSA-N 1 0 385.424 3.437 20 5 GGBDRO CCOc1cccc(N2CCC(CCC[NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000184146230 1430847128 /nfs/dbraw/zinc/84/71/28/1430847128.db2.gz VFQUYTLNUOAIQI-UHFFFAOYSA-N 1 0 377.485 3.322 20 5 GGBDRO COc1cc(C[NH2+][C@H](C)C[S@@](C)=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000184256512 1430863210 /nfs/dbraw/zinc/86/32/10/1430863210.db2.gz ZQJQPOGUHNUMPS-LOKFHWFJSA-N 1 0 392.477 3.039 20 5 GGBDRO COc1cc(C[NH2+][C@@H](C)C[S@](C)=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000184256459 1430863247 /nfs/dbraw/zinc/86/32/47/1430863247.db2.gz ZQJQPOGUHNUMPS-PWFNWSNSSA-N 1 0 392.477 3.039 20 5 GGBDRO CC[NH+]1CCN(c2cccc(NC(=O)CCNc3ccccc3[N+](=O)[O-])c2)CC1 ZINC000184278236 1430866721 /nfs/dbraw/zinc/86/67/21/1430866721.db2.gz BLUDIVBUZXVTMG-UHFFFAOYSA-N 1 0 397.479 3.177 20 5 GGBDRO COc1ccccc1S(=O)(=O)CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000184304689 1430871047 /nfs/dbraw/zinc/87/10/47/1430871047.db2.gz IWCLONRWARRTIO-CQSZACIVSA-N 1 0 378.450 3.118 20 5 GGBDRO C[NH+](C)[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000184351352 1430876821 /nfs/dbraw/zinc/87/68/21/1430876821.db2.gz ZQRPDYMABGBCAK-MRXNPFEDSA-N 1 0 396.369 3.427 20 5 GGBDRO COc1cc(C[NH2+]CC2(CO)CCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000184359670 1430878022 /nfs/dbraw/zinc/87/80/22/1430878022.db2.gz SQZVPOLAYLVWNF-UHFFFAOYSA-N 1 0 386.448 3.435 20 5 GGBDRO C[NH+](C)CC1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N)cc2)CC1 ZINC000184428056 1430886605 /nfs/dbraw/zinc/88/66/05/1430886605.db2.gz VWZNPZNDFNVAMX-UHFFFAOYSA-N 1 0 397.479 3.207 20 5 GGBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)cccc1[N+](=O)[O-] ZINC000184480929 1430892697 /nfs/dbraw/zinc/89/26/97/1430892697.db2.gz MGLXIRXVPPIKEO-MRXNPFEDSA-N 1 0 391.468 3.286 20 5 GGBDRO Cc1c(-c2cc(C[NH+]3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)on2)cnn1C ZINC000184587718 1430910822 /nfs/dbraw/zinc/91/08/22/1430910822.db2.gz AWFLWWNZRRVQAA-UHFFFAOYSA-N 1 0 397.435 3.335 20 5 GGBDRO CC1CC[NH+](C2CCC(NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000184732477 1430957461 /nfs/dbraw/zinc/95/74/61/1430957461.db2.gz KSGSHAQYFFGZPG-UHFFFAOYSA-N 1 0 395.525 3.057 20 5 GGBDRO CCc1ccc([C@@H](COC)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)o1 ZINC000184832556 1430995914 /nfs/dbraw/zinc/99/59/14/1430995914.db2.gz PFAQKWZDIFWUNK-QGZVFWFLSA-N 1 0 375.425 3.365 20 5 GGBDRO CCc1ccc([C@H](COC)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)o1 ZINC000184863109 1431006206 /nfs/dbraw/zinc/00/62/06/1431006206.db2.gz HMXLQAFIIPJOOX-INIZCTEOSA-N 1 0 391.424 3.065 20 5 GGBDRO COc1cccc([C@H](CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)[NH+](C)C)c1 ZINC000184912298 1431019336 /nfs/dbraw/zinc/01/93/36/1431019336.db2.gz YQJWWTDOOKQUCY-DJJJIMSYSA-N 1 0 389.427 3.265 20 5 GGBDRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000184945676 1431027877 /nfs/dbraw/zinc/02/78/77/1431027877.db2.gz XILVWIHQDFSLOS-MSOLQXFVSA-N 1 0 386.477 3.096 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000184984075 1431036478 /nfs/dbraw/zinc/03/64/78/1431036478.db2.gz HFTYKAXEGNRMKM-UPRAQXHNSA-N 1 0 397.431 3.205 20 5 GGBDRO C[C@H](C(=O)NCc1cccc(OCC[NH+](C)C)c1)c1ccc([N+](=O)[O-])cc1F ZINC000185027204 1431044434 /nfs/dbraw/zinc/04/44/34/1431044434.db2.gz GXEPRDIFJQEWTB-AWEZNQCLSA-N 1 0 389.427 3.094 20 5 GGBDRO C[C@@H](C(=O)NCc1ccc(OCC[NH+](C)C)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000185027105 1431044456 /nfs/dbraw/zinc/04/44/56/1431044456.db2.gz RUPPNMHJSIWMIL-CQSZACIVSA-N 1 0 389.427 3.094 20 5 GGBDRO C[C@@H](C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000185038415 1431046655 /nfs/dbraw/zinc/04/66/55/1431046655.db2.gz ZDKMGQHIMXNGSP-XIKOKIGWSA-N 1 0 377.391 3.396 20 5 GGBDRO C[C@H](C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000185038430 1431046686 /nfs/dbraw/zinc/04/66/86/1431046686.db2.gz ZDKMGQHIMXNGSP-KPZWWZAWSA-N 1 0 377.391 3.396 20 5 GGBDRO C[C@H](C(=O)NCc1ccccc1OCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000185153507 1431073380 /nfs/dbraw/zinc/07/33/80/1431073380.db2.gz UEAMJTDMQGVIRY-AWEZNQCLSA-N 1 0 389.427 3.094 20 5 GGBDRO CC(C)(C)C(=O)N1CCC(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000185182544 1431079077 /nfs/dbraw/zinc/07/90/77/1431079077.db2.gz VMWZIUJZJDTVCQ-UHFFFAOYSA-N 1 0 388.512 3.002 20 5 GGBDRO Cc1c([C@@H](C)[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)cccc1[N+](=O)[O-] ZINC000185300685 1431105368 /nfs/dbraw/zinc/10/53/68/1431105368.db2.gz POVFFFUYRNPOOP-OAHLLOKOSA-N 1 0 389.477 3.294 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)c1 ZINC000185322742 1431113601 /nfs/dbraw/zinc/11/36/01/1431113601.db2.gz TZFFVQDNJSMOQL-DZGCQCFKSA-N 1 0 378.375 3.102 20 5 GGBDRO Cc1c([C@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000185351706 1431123175 /nfs/dbraw/zinc/12/31/75/1431123175.db2.gz GRCZHGVPJRXGIH-PXNSSMCTSA-N 1 0 397.475 3.024 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000185468862 1431152063 /nfs/dbraw/zinc/15/20/63/1431152063.db2.gz JJUSHBZNZOSTML-AWEZNQCLSA-N 1 0 397.357 3.433 20 5 GGBDRO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1COc2ccccc21 ZINC000185550223 1431168844 /nfs/dbraw/zinc/16/88/44/1431168844.db2.gz KVXHFAAVVRZBRY-FZMZJTMJSA-N 1 0 375.812 3.341 20 5 GGBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)[C@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC000185631453 1431188970 /nfs/dbraw/zinc/18/89/70/1431188970.db2.gz JIHFCINSQRODOK-XJKSGUPXSA-N 1 0 385.420 3.086 20 5 GGBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC000185631413 1431189138 /nfs/dbraw/zinc/18/91/38/1431189138.db2.gz JIHFCINSQRODOK-BBRMVZONSA-N 1 0 385.420 3.086 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000185645821 1431194252 /nfs/dbraw/zinc/19/42/52/1431194252.db2.gz WNNOENSVOPXDHR-CJNGLKHVSA-N 1 0 385.420 3.086 20 5 GGBDRO CCOc1cc(NC2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)ncn1 ZINC000185665495 1431200285 /nfs/dbraw/zinc/20/02/85/1431200285.db2.gz MZQVMPLPBJFKLD-FNORWQNLSA-N 1 0 383.452 3.373 20 5 GGBDRO C[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185720138 1431214849 /nfs/dbraw/zinc/21/48/49/1431214849.db2.gz BUGJBKLJDNVZDL-GDBMZVCRSA-N 1 0 385.468 3.387 20 5 GGBDRO C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185752131 1431224471 /nfs/dbraw/zinc/22/44/71/1431224471.db2.gz ZZEQVQWVQMVEND-KGLIPLIRSA-N 1 0 394.903 3.429 20 5 GGBDRO C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185752089 1431224508 /nfs/dbraw/zinc/22/45/08/1431224508.db2.gz ZZEQVQWVQMVEND-ZIAGYGMSSA-N 1 0 394.903 3.429 20 5 GGBDRO COc1cc(C[NH2+]CC2(CO)CCCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000185807573 1431240908 /nfs/dbraw/zinc/24/09/08/1431240908.db2.gz WLEHHQGELPDEQH-UHFFFAOYSA-N 1 0 392.374 3.187 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC2(C[NH+](C)C)CCCC2)cc1SC ZINC000185860717 1431255017 /nfs/dbraw/zinc/25/50/17/1431255017.db2.gz LZBINCSPVIDPNO-UHFFFAOYSA-N 1 0 381.498 3.177 20 5 GGBDRO C[N@@H+]1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccccc1 ZINC000185894291 1431267057 /nfs/dbraw/zinc/26/70/57/1431267057.db2.gz QMNUCOAVUUNCNS-MSOLQXFVSA-N 1 0 388.855 3.493 20 5 GGBDRO COc1ccccc1C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000185904728 1431272720 /nfs/dbraw/zinc/27/27/20/1431272720.db2.gz RAFVRCNMSNTGRP-IBGZPJMESA-N 1 0 385.464 3.423 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000185969048 1431300796 /nfs/dbraw/zinc/30/07/96/1431300796.db2.gz QKLHUUGOEGMBTH-MRXNPFEDSA-N 1 0 395.525 3.260 20 5 GGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000186035795 1431316452 /nfs/dbraw/zinc/31/64/52/1431316452.db2.gz MWHNOEKNTITXGV-OAHLLOKOSA-N 1 0 389.477 3.294 20 5 GGBDRO Cc1c(NC(=O)CC[NH+]2CCC(C(=O)C(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000186060701 1431322037 /nfs/dbraw/zinc/32/20/37/1431322037.db2.gz XDDQBRHWSUSKHM-UHFFFAOYSA-N 1 0 387.358 3.075 20 5 GGBDRO CSc1cccc(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000186114099 1431333530 /nfs/dbraw/zinc/33/35/30/1431333530.db2.gz WNRMCJJYPSBWMX-CQSZACIVSA-N 1 0 385.489 3.493 20 5 GGBDRO Cc1cc(C(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)cc([N+](=O)[O-])c1 ZINC000186262981 1431365587 /nfs/dbraw/zinc/36/55/87/1431365587.db2.gz PTOOMVADSHKLLM-UHFFFAOYSA-N 1 0 384.436 3.354 20 5 GGBDRO Cc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)cc1NC(=O)CC[NH+](C)C ZINC000186265440 1431366331 /nfs/dbraw/zinc/36/63/31/1431366331.db2.gz CQTNBOPNHFJGHP-UHFFFAOYSA-N 1 0 398.463 3.283 20 5 GGBDRO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1NC(=O)CC[NH+](C)C ZINC000186268200 1431367181 /nfs/dbraw/zinc/36/71/81/1431367181.db2.gz YOKICNIPSOOTLE-UHFFFAOYSA-N 1 0 376.438 3.107 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)NCC3=CC[NH2+]CC3)cc2[N+](=O)[O-])n1 ZINC000186324867 1431382746 /nfs/dbraw/zinc/38/27/46/1431382746.db2.gz ISMDDTXJFDIBFR-UHFFFAOYSA-N 1 0 390.490 3.160 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCCO[C@@H]1CC(C)C ZINC000186399406 1431401405 /nfs/dbraw/zinc/40/14/05/1431401405.db2.gz GTGRRPDKURPBLT-MAUKXSAKSA-N 1 0 379.457 3.115 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCCO[C@@H]1CC(C)C ZINC000186399364 1431401534 /nfs/dbraw/zinc/40/15/34/1431401534.db2.gz GTGRRPDKURPBLT-CRAIPNDOSA-N 1 0 379.457 3.115 20 5 GGBDRO CNC(=O)c1ccc(NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000186417143 1431410266 /nfs/dbraw/zinc/41/02/66/1431410266.db2.gz YDOPJZYPYOJASN-HXUWFJFHSA-N 1 0 382.464 3.277 20 5 GGBDRO C[N@H+](Cc1ccccc1)[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])C1CC1 ZINC000186417028 1431410837 /nfs/dbraw/zinc/41/08/37/1431410837.db2.gz JBDDBYSADJFVLH-FQEVSTJZSA-N 1 0 393.447 3.154 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)C1CC1 ZINC000186434724 1431418876 /nfs/dbraw/zinc/41/88/76/1431418876.db2.gz BZVKMGBGYQUIRY-SFHVURJKSA-N 1 0 393.447 3.403 20 5 GGBDRO CCOc1ccc(C(=O)N(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000186565077 1431455260 /nfs/dbraw/zinc/45/52/60/1431455260.db2.gz RHNGWDHEPLGTCO-SFHVURJKSA-N 1 0 398.463 3.173 20 5 GGBDRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1(C)C ZINC000186576763 1431458855 /nfs/dbraw/zinc/45/88/55/1431458855.db2.gz JIFKJGWFGVPINE-VQIMIIECSA-N 1 0 391.493 3.374 20 5 GGBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186584589 1431461143 /nfs/dbraw/zinc/46/11/43/1431461143.db2.gz HZCXVIXRVINRPC-GNISGLHKSA-N 1 0 380.448 3.174 20 5 GGBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186590906 1431462326 /nfs/dbraw/zinc/46/23/26/1431462326.db2.gz LRQYEGZTKAJEHY-INIZCTEOSA-N 1 0 388.855 3.428 20 5 GGBDRO CCc1ccc(C(=O)N(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000186609707 1431467793 /nfs/dbraw/zinc/46/77/93/1431467793.db2.gz LPCXCLCHGAOPBJ-IBGZPJMESA-N 1 0 382.464 3.337 20 5 GGBDRO CCOC(=O)C[C@@](C)([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000186672577 1431487809 /nfs/dbraw/zinc/48/78/09/1431487809.db2.gz LVWDPIFAKVSJRD-QGZVFWFLSA-N 1 0 385.848 3.144 20 5 GGBDRO CCOC(=O)C[C@](C)([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000186674898 1431489116 /nfs/dbraw/zinc/48/91/16/1431489116.db2.gz ABYYEJIBQDFPDM-SFHVURJKSA-N 1 0 376.413 3.102 20 5 GGBDRO CSc1cccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)c1[N+](=O)[O-] ZINC000186802938 1431521007 /nfs/dbraw/zinc/52/10/07/1431521007.db2.gz IGIKRPGMKQYRKF-UHFFFAOYSA-N 1 0 377.466 3.422 20 5 GGBDRO C[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187213847 1431651109 /nfs/dbraw/zinc/65/11/09/1431651109.db2.gz RNYVRGJYTUPICP-YWZLYKJASA-N 1 0 393.447 3.202 20 5 GGBDRO COc1cc(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000187253937 1431667471 /nfs/dbraw/zinc/66/74/71/1431667471.db2.gz FPQDCIPPECOQIF-YJYMSZOUSA-N 1 0 387.436 3.033 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)c1 ZINC000187327839 1431698398 /nfs/dbraw/zinc/69/83/98/1431698398.db2.gz UDUOBAGKONULGX-LJQANCHMSA-N 1 0 385.464 3.490 20 5 GGBDRO C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@@H+]1Cc1ccccc1 ZINC000187359518 1431708057 /nfs/dbraw/zinc/70/80/57/1431708057.db2.gz ONGULKCDTUZNHO-NVXWUHKLSA-N 1 0 382.464 3.302 20 5 GGBDRO COc1cc(C(=O)NC(C)(C)CC[NH+]2CCCCCC2)c([N+](=O)[O-])cc1OC ZINC000187379047 1431713801 /nfs/dbraw/zinc/71/38/01/1431713801.db2.gz CIRHCEWAUUEDRS-UHFFFAOYSA-N 1 0 393.484 3.387 20 5 GGBDRO Cn1nc(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)c2ccccc21 ZINC000187390032 1431716846 /nfs/dbraw/zinc/71/68/46/1431716846.db2.gz DYMFEYSVXMJKPK-UHFFFAOYSA-N 1 0 376.363 3.415 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000187788786 1431812624 /nfs/dbraw/zinc/81/26/24/1431812624.db2.gz XNQAPAODLNQRRV-UHFFFAOYSA-N 1 0 382.464 3.309 20 5 GGBDRO CSc1cccc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)c1[N+](=O)[O-] ZINC000188163214 1431855222 /nfs/dbraw/zinc/85/52/22/1431855222.db2.gz RALGDKVVMKOWSY-UHFFFAOYSA-N 1 0 386.477 3.106 20 5 GGBDRO CSc1cccc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000188182091 1431857787 /nfs/dbraw/zinc/85/77/87/1431857787.db2.gz WFKNCITXIVQBDZ-UHFFFAOYSA-N 1 0 393.509 3.034 20 5 GGBDRO CSc1cccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000188246648 1431865424 /nfs/dbraw/zinc/86/54/24/1431865424.db2.gz KHCPVHUVFFCYCW-XJKSGUPXSA-N 1 0 375.494 3.406 20 5 GGBDRO CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188288540 1431870045 /nfs/dbraw/zinc/87/00/45/1431870045.db2.gz BUJXTBCOYZRMKL-HXUWFJFHSA-N 1 0 389.883 3.317 20 5 GGBDRO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000188325005 1431873372 /nfs/dbraw/zinc/87/33/72/1431873372.db2.gz VEHXEXZCWVAVLV-HNNXBMFYSA-N 1 0 389.477 3.328 20 5 GGBDRO CC[NH+](CC)Cc1ccc(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])cc1 ZINC000188378434 1431878973 /nfs/dbraw/zinc/87/89/73/1431878973.db2.gz VWPBJAPFNYDMOH-UHFFFAOYSA-N 1 0 385.420 3.267 20 5 GGBDRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000188482751 1431887937 /nfs/dbraw/zinc/88/79/37/1431887937.db2.gz UFUIUXIYYMMRJO-UHFFFAOYSA-N 1 0 384.436 3.001 20 5 GGBDRO COc1cc(C[NH2+]C[C@H]2CC[C@H](O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000188855625 1431998644 /nfs/dbraw/zinc/99/86/44/1431998644.db2.gz LENRBGOLEDHALG-LPHOPBHVSA-N 1 0 386.448 3.433 20 5 GGBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000188980482 1432020995 /nfs/dbraw/zinc/02/09/95/1432020995.db2.gz XJMCWFIFUPLIKE-MLGOLLRUSA-N 1 0 395.793 3.402 20 5 GGBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000188996247 1432024378 /nfs/dbraw/zinc/02/43/78/1432024378.db2.gz HOWVWZOHXLGAIB-VQIMIIECSA-N 1 0 389.402 3.068 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000189026564 1432029370 /nfs/dbraw/zinc/02/93/70/1432029370.db2.gz RCTJASODZMLOAM-CRAIPNDOSA-N 1 0 375.375 3.057 20 5 GGBDRO COc1cc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000189076198 1432040366 /nfs/dbraw/zinc/04/03/66/1432040366.db2.gz PKPRCEVQLJXIBW-QGZVFWFLSA-N 1 0 375.400 3.084 20 5 GGBDRO O=C1c2ccccc2C(=O)N1C1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000189147970 1432052545 /nfs/dbraw/zinc/05/25/45/1432052545.db2.gz RSSOMTZERHMQMN-UHFFFAOYSA-N 1 0 393.443 3.334 20 5 GGBDRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2cccs2)cc([N+](=O)[O-])c1C ZINC000189149968 1432052989 /nfs/dbraw/zinc/05/29/89/1432052989.db2.gz KTVRSDOWLBRFPR-UHFFFAOYSA-N 1 0 377.466 3.177 20 5 GGBDRO C[N@H+](CCn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)Cc1ccc(F)cc1 ZINC000189264575 1432074350 /nfs/dbraw/zinc/07/43/50/1432074350.db2.gz YHZCJHLHTLOXFM-UHFFFAOYSA-N 1 0 382.395 3.090 20 5 GGBDRO CCCN(CCC[NH+](C)C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000189270274 1432075343 /nfs/dbraw/zinc/07/53/43/1432075343.db2.gz CCSZUOQKWUMKKF-UHFFFAOYSA-N 1 0 379.504 3.345 20 5 GGBDRO CC[NH+](CC)CCCC1CCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000189382372 1432096360 /nfs/dbraw/zinc/09/63/60/1432096360.db2.gz ZBITXDXLVXPDKD-UHFFFAOYSA-N 1 0 378.473 3.115 20 5 GGBDRO COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(OC)c2)[NH+](C)C)cc1OC ZINC000189405741 1432099968 /nfs/dbraw/zinc/09/99/68/1432099968.db2.gz UKEREIQZGRMUCE-MRXNPFEDSA-N 1 0 375.425 3.335 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000189461304 1432119650 /nfs/dbraw/zinc/11/96/50/1432119650.db2.gz CIBPSAQBYCEGTM-UHFFFAOYSA-N 1 0 375.391 3.357 20 5 GGBDRO CC[C@](C)(O)C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000189731926 1432217409 /nfs/dbraw/zinc/21/74/09/1432217409.db2.gz XKGBXKBJZPLIRH-QFIPXVFZSA-N 1 0 397.475 3.147 20 5 GGBDRO CC[C@@](C)(O)C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000189731945 1432217468 /nfs/dbraw/zinc/21/74/68/1432217468.db2.gz XKGBXKBJZPLIRH-JOCHJYFZSA-N 1 0 397.475 3.147 20 5 GGBDRO O=C1[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCN1Cc1ccc(F)cc1F ZINC000189800827 1432238991 /nfs/dbraw/zinc/23/89/91/1432238991.db2.gz IBBAKYHVTQXJHQ-GOSISDBHSA-N 1 0 375.375 3.154 20 5 GGBDRO C[C@H](O)C[NH+]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000189849160 1432252806 /nfs/dbraw/zinc/25/28/06/1432252806.db2.gz DTLMIZZOEUPBER-ZDUSSCGKSA-N 1 0 379.844 3.007 20 5 GGBDRO CC(C)CC[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000189916683 1432272530 /nfs/dbraw/zinc/27/25/30/1432272530.db2.gz MZBXAJFQFGIOIH-UHFFFAOYSA-N 1 0 383.514 3.168 20 5 GGBDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000189968330 1432292817 /nfs/dbraw/zinc/29/28/17/1432292817.db2.gz DFEPKVHFTLLTJT-DGCLKSJQSA-N 1 0 392.374 3.185 20 5 GGBDRO CCOC(=O)[C@](C)(C[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000189982564 1432298601 /nfs/dbraw/zinc/29/86/01/1432298601.db2.gz LEMDUSSTJZIRLY-QVKFZJNVSA-N 1 0 399.447 3.032 20 5 GGBDRO CCOC(=O)[C@@](C)(C[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000189987348 1432300123 /nfs/dbraw/zinc/30/01/23/1432300123.db2.gz NNYGLQKROZVUPP-VFNWGFHPSA-N 1 0 399.447 3.032 20 5 GGBDRO CCOC(=O)[C@](C)(C[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000189988783 1432300642 /nfs/dbraw/zinc/30/06/42/1432300642.db2.gz QPKMIHNZSJZPBU-QVKFZJNVSA-N 1 0 399.447 3.032 20 5 GGBDRO CC(C)OCC[NH+]1CCC(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000189998738 1432302149 /nfs/dbraw/zinc/30/21/49/1432302149.db2.gz RNVAGOIXRJBXCD-UHFFFAOYSA-N 1 0 377.485 3.337 20 5 GGBDRO Cc1ccc(C)c(S(=O)(=O)NC2CC[NH+](C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000190043544 1432309982 /nfs/dbraw/zinc/30/99/82/1432309982.db2.gz VYCMFVCHDZTOFJ-UHFFFAOYSA-N 1 0 395.525 3.287 20 5 GGBDRO CC(C)c1ccc(C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000190045507 1432310243 /nfs/dbraw/zinc/31/02/43/1432310243.db2.gz PGPFJPWJFMADTG-HZPDHXFCSA-N 1 0 377.485 3.337 20 5 GGBDRO CC(C)c1ccc(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000190045493 1432310251 /nfs/dbraw/zinc/31/02/51/1432310251.db2.gz PGPFJPWJFMADTG-HOTGVXAUSA-N 1 0 377.485 3.337 20 5 GGBDRO COc1cc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000190048603 1432310847 /nfs/dbraw/zinc/31/08/47/1432310847.db2.gz ZGEMIKISANKVDJ-KXBFYZLASA-N 1 0 386.448 3.385 20 5 GGBDRO COc1cc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc([N+](=O)[O-])c1C ZINC000190107842 1432321046 /nfs/dbraw/zinc/32/10/46/1432321046.db2.gz MRQAEPNSTBUDER-HUUCEWRRSA-N 1 0 375.469 3.295 20 5 GGBDRO CC[NH+](CC)[C@H](CNc1ncc(C(=O)OC)cc1[N+](=O)[O-])c1ccsc1 ZINC000190167509 1432331898 /nfs/dbraw/zinc/33/18/98/1432331898.db2.gz GOOQABCSDXSGCW-OAHLLOKOSA-N 1 0 378.454 3.333 20 5 GGBDRO CC(C)c1ccc(C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000190343629 1432364743 /nfs/dbraw/zinc/36/47/43/1432364743.db2.gz UDKJJUHRKGHQRX-RBUKOAKNSA-N 1 0 397.475 3.083 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(c1ccccc1)C1CC[NH+](C)CC1 ZINC000190384848 1432371343 /nfs/dbraw/zinc/37/13/43/1432371343.db2.gz OYTQBDAGTZEDER-UHFFFAOYSA-N 1 0 389.477 3.193 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(c1ccccc1)C1CC[NH+](C)CC1 ZINC000190387466 1432371694 /nfs/dbraw/zinc/37/16/94/1432371694.db2.gz VUFHJPDDOQPQML-UHFFFAOYSA-N 1 0 389.477 3.193 20 5 GGBDRO CC(C)c1ccc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000190488094 1432391066 /nfs/dbraw/zinc/39/10/66/1432391066.db2.gz RWVXNPFDPBOLAH-IBGZPJMESA-N 1 0 397.475 3.215 20 5 GGBDRO O=C(CC[NH+]1CCC(Oc2ccc(F)nc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000190509065 1432394896 /nfs/dbraw/zinc/39/48/96/1432394896.db2.gz DXUIGULUPMXANY-UHFFFAOYSA-N 1 0 388.399 3.001 20 5 GGBDRO CC(C)c1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cc1[N+](=O)[O-] ZINC000190511758 1432395229 /nfs/dbraw/zinc/39/52/29/1432395229.db2.gz FKVWRRHPFFZKPI-UHFFFAOYSA-N 1 0 383.452 3.117 20 5 GGBDRO CC[NH+](CC)Cc1ccc(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)cc1 ZINC000190558337 1432406269 /nfs/dbraw/zinc/40/62/69/1432406269.db2.gz GRUKOLHMOUYFON-UHFFFAOYSA-N 1 0 394.435 3.270 20 5 GGBDRO O=C(CC[NH+]1CCC(Oc2ccc(F)nc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000190562711 1432407363 /nfs/dbraw/zinc/40/73/63/1432407363.db2.gz HCNTWFFNJXADRU-UHFFFAOYSA-N 1 0 388.399 3.001 20 5 GGBDRO COc1cc(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)cc([N+](=O)[O-])c1C ZINC000190967694 1432539962 /nfs/dbraw/zinc/53/99/62/1432539962.db2.gz HOVZVHINAZYEDO-KRWDZBQOSA-N 1 0 387.436 3.380 20 5 GGBDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H]2CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000191185617 1432585245 /nfs/dbraw/zinc/58/52/45/1432585245.db2.gz XQILRWSSLRIHCA-DNVCBOLYSA-N 1 0 386.448 3.385 20 5 GGBDRO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000191186999 1432585797 /nfs/dbraw/zinc/58/57/97/1432585797.db2.gz XYSDQRBWBSIEMJ-ALKREAHSSA-N 1 0 385.420 3.066 20 5 GGBDRO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000191186966 1432586144 /nfs/dbraw/zinc/58/61/44/1432586144.db2.gz XYSDQRBWBSIEMJ-OGWOLHLISA-N 1 0 385.420 3.066 20 5 GGBDRO COc1cc(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc([N+](=O)[O-])c1C ZINC000191245510 1432603563 /nfs/dbraw/zinc/60/35/63/1432603563.db2.gz NPXIEPBOQFRTFS-SFHVURJKSA-N 1 0 397.475 3.206 20 5 GGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000191325220 1432632733 /nfs/dbraw/zinc/63/27/33/1432632733.db2.gz MILJFBRYMZSRTN-MJGOQNOKSA-N 1 0 390.484 3.101 20 5 GGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000191325251 1432632861 /nfs/dbraw/zinc/63/28/61/1432632861.db2.gz MILJFBRYMZSRTN-IEBWSBKVSA-N 1 0 390.484 3.101 20 5 GGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000191366219 1432642589 /nfs/dbraw/zinc/64/25/89/1432642589.db2.gz WRGYTADEXTZGGY-UHFFFAOYSA-N 1 0 386.452 3.474 20 5 GGBDRO CCC1(CC)[C@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@H]1OC ZINC000191379437 1432646177 /nfs/dbraw/zinc/64/61/77/1432646177.db2.gz GTKKXFLTQYKEEX-IAGOWNOFSA-N 1 0 379.457 3.115 20 5 GGBDRO COC[C@H](Cc1ccccc1)[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000191472164 1432667324 /nfs/dbraw/zinc/66/73/24/1432667324.db2.gz BYQLXHOFVMRERV-SFHVURJKSA-N 1 0 385.464 3.421 20 5 GGBDRO CCCn1ccnc1CCC[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000191517669 1432677526 /nfs/dbraw/zinc/67/75/26/1432677526.db2.gz GVAYXUNIIDETBY-UHFFFAOYSA-N 1 0 384.440 3.316 20 5 GGBDRO O=C(C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000191888369 1432747788 /nfs/dbraw/zinc/74/77/88/1432747788.db2.gz MAWLDUIQFZGAPC-HZPDHXFCSA-N 1 0 397.431 3.263 20 5 GGBDRO O=C(C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000191888357 1432748015 /nfs/dbraw/zinc/74/80/15/1432748015.db2.gz MAWLDUIQFZGAPC-JKSUJKDBSA-N 1 0 397.431 3.263 20 5 GGBDRO O=C(C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000192024398 1432780864 /nfs/dbraw/zinc/78/08/64/1432780864.db2.gz YREHWXIKDJQNGB-CRAIPNDOSA-N 1 0 375.812 3.307 20 5 GGBDRO CN(C(=O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000192024008 1432780867 /nfs/dbraw/zinc/78/08/67/1432780867.db2.gz MZGGJJUFUUPMOA-IEBWSBKVSA-N 1 0 389.839 3.331 20 5 GGBDRO NC(=O)c1ccc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 ZINC000192093481 1432797191 /nfs/dbraw/zinc/79/71/91/1432797191.db2.gz CXVWGRFYCYDBTP-DOTOQJQBSA-N 1 0 393.802 3.106 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192111468 1432799879 /nfs/dbraw/zinc/79/98/79/1432799879.db2.gz QKJQKPPZFNXCDP-PKOBYXMFSA-N 1 0 391.374 3.240 20 5 GGBDRO Cc1cc(C)c(S(=O)(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000192135203 1432804363 /nfs/dbraw/zinc/80/43/63/1432804363.db2.gz DYQBISTXIPZYDF-HZPDHXFCSA-N 1 0 395.525 3.143 20 5 GGBDRO COc1ccc(OCC[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000192137940 1432804920 /nfs/dbraw/zinc/80/49/20/1432804920.db2.gz KIISGCHAVAKKJR-VQIMIIECSA-N 1 0 394.374 3.380 20 5 GGBDRO COc1ccc(OCC[NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000192137958 1432805043 /nfs/dbraw/zinc/80/50/43/1432805043.db2.gz KIISGCHAVAKKJR-LPHOPBHVSA-N 1 0 394.374 3.380 20 5 GGBDRO COc1c(C)cnc(CN2CCC(N(C)c3ncc([N+](=O)[O-])s3)CC2)c1C ZINC000192450509 1432846186 /nfs/dbraw/zinc/84/61/86/1432846186.db2.gz OOXMHXLYJAJMSR-UHFFFAOYSA-N 1 0 391.497 3.173 20 5 GGBDRO COc1cccc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000192468173 1432848400 /nfs/dbraw/zinc/84/84/00/1432848400.db2.gz WRZRKRYZBMLKCO-CQSZACIVSA-N 1 0 389.477 3.307 20 5 GGBDRO COc1cc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c([N+](=O)[O-])cc1OC ZINC000192475169 1432849243 /nfs/dbraw/zinc/84/92/43/1432849243.db2.gz QRXZJTIZHSNQFZ-UHFFFAOYSA-N 1 0 399.447 3.138 20 5 GGBDRO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000192490242 1432850331 /nfs/dbraw/zinc/85/03/31/1432850331.db2.gz UNGXYZMXENWVRW-HUUCEWRRSA-N 1 0 387.484 3.341 20 5 GGBDRO CC(C)CCSc1ccc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000192505644 1432852485 /nfs/dbraw/zinc/85/24/85/1432852485.db2.gz NHYKUADSLZGLJQ-IYBDPMFKSA-N 1 0 377.510 3.367 20 5 GGBDRO COc1cccc(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1[N+](=O)[O-] ZINC000192518419 1432853934 /nfs/dbraw/zinc/85/39/34/1432853934.db2.gz BTPOWIBTMPXZRU-INIZCTEOSA-N 1 0 375.469 3.332 20 5 GGBDRO COc1cccc(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1[N+](=O)[O-] ZINC000192518405 1432854018 /nfs/dbraw/zinc/85/40/18/1432854018.db2.gz BTPOWIBTMPXZRU-MRXNPFEDSA-N 1 0 375.469 3.332 20 5 GGBDRO COc1cccc(C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000192657681 1432872144 /nfs/dbraw/zinc/87/21/44/1432872144.db2.gz BZWLUHCNDYMDES-INIZCTEOSA-N 1 0 383.448 3.340 20 5 GGBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000192660631 1432872293 /nfs/dbraw/zinc/87/22/93/1432872293.db2.gz KPUZPJWMCXIJLA-DHZHZOJOSA-N 1 0 379.460 3.431 20 5 GGBDRO COc1cccc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c1[N+](=O)[O-] ZINC000192691966 1432875920 /nfs/dbraw/zinc/87/59/20/1432875920.db2.gz CXHBMAIQKRNSEF-UHFFFAOYSA-N 1 0 399.447 3.060 20 5 GGBDRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192719362 1432879509 /nfs/dbraw/zinc/87/95/09/1432879509.db2.gz SZGWBKLFSCXQNK-IBGZPJMESA-N 1 0 389.477 3.012 20 5 GGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)CCC2 ZINC000192835741 1432896707 /nfs/dbraw/zinc/89/67/07/1432896707.db2.gz IKDKBZRALFGGTM-IFXJQAMLSA-N 1 0 378.375 3.280 20 5 GGBDRO C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000192865806 1432900768 /nfs/dbraw/zinc/90/07/68/1432900768.db2.gz JVAYPUSDIALLMX-BLLLJJGKSA-N 1 0 397.884 3.218 20 5 GGBDRO COc1cc(CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000192918038 1432907526 /nfs/dbraw/zinc/90/75/26/1432907526.db2.gz WMURWTFGSYXMNA-KRWDZBQOSA-N 1 0 385.464 3.224 20 5 GGBDRO CCOC(=O)c1ccnc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192959191 1432913410 /nfs/dbraw/zinc/91/34/10/1432913410.db2.gz IMFZZIASKSQIFA-INIZCTEOSA-N 1 0 384.436 3.101 20 5 GGBDRO COc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)C2=O)cc1 ZINC000192998914 1432919584 /nfs/dbraw/zinc/91/95/84/1432919584.db2.gz KFAOYBCLYYMFQK-NHCUHLMSSA-N 1 0 395.459 3.372 20 5 GGBDRO COc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)C2=O)cc1 ZINC000192998895 1432919661 /nfs/dbraw/zinc/91/96/61/1432919661.db2.gz KFAOYBCLYYMFQK-RTWAWAEBSA-N 1 0 395.459 3.372 20 5 GGBDRO COc1ccc([C@@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C2CC2)cc1 ZINC000193342901 1432982770 /nfs/dbraw/zinc/98/27/70/1432982770.db2.gz KOGYENUJPOCWHQ-NRFANRHFSA-N 1 0 381.432 3.233 20 5 GGBDRO COc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000193344617 1432983172 /nfs/dbraw/zinc/98/31/72/1432983172.db2.gz LKUHCYDGFHSIQR-HXUWFJFHSA-N 1 0 385.420 3.291 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000193400334 1432991453 /nfs/dbraw/zinc/99/14/53/1432991453.db2.gz IXRSMFMEGPCEAT-LJQANCHMSA-N 1 0 398.463 3.240 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000193400782 1432991528 /nfs/dbraw/zinc/99/15/28/1432991528.db2.gz WJFIOGYAJVIXQD-UHFFFAOYSA-N 1 0 378.473 3.057 20 5 GGBDRO CNC(=O)c1ccc(NC2CC[NH+](CCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000193518344 1433012848 /nfs/dbraw/zinc/01/28/48/1433012848.db2.gz ZKABQQFLABGXHN-UHFFFAOYSA-N 1 0 382.464 3.073 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N[C@@H]3CCC[NH2+][C@@H]3C)cc2[N+](=O)[O-])n1 ZINC000193586595 1433024184 /nfs/dbraw/zinc/02/41/84/1433024184.db2.gz GHQZHJQGOLZQRM-DGCLKSJQSA-N 1 0 392.506 3.381 20 5 GGBDRO O=C(Nc1ccccc1O)C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000193613176 1433029123 /nfs/dbraw/zinc/02/91/23/1433029123.db2.gz HRABNKIWNHPPKG-UHFFFAOYSA-N 1 0 399.447 3.420 20 5 GGBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000193695492 1433042377 /nfs/dbraw/zinc/04/23/77/1433042377.db2.gz HEYDSRVBCJFUSQ-UHFFFAOYSA-N 1 0 398.891 3.013 20 5 GGBDRO CCOC(=O)c1ccnc(SCC[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000193744331 1433050868 /nfs/dbraw/zinc/05/08/68/1433050868.db2.gz GXWUHTPEIZHJKF-UHFFFAOYSA-N 1 0 375.450 3.391 20 5 GGBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193774440 1433056843 /nfs/dbraw/zinc/05/68/43/1433056843.db2.gz HVDVFHVXTYTNJZ-KRWDZBQOSA-N 1 0 385.489 3.325 20 5 GGBDRO C[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000193798596 1433062118 /nfs/dbraw/zinc/06/21/18/1433062118.db2.gz DPOICAHTPMGWOZ-RDJZCZTQSA-N 1 0 385.439 3.476 20 5 GGBDRO COc1ccc([C@H](CNC(=O)c2cccc(OC)c2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000193836553 1433069452 /nfs/dbraw/zinc/06/94/52/1433069452.db2.gz GIWVHDBBEUGEEG-SFHVURJKSA-N 1 0 399.447 3.179 20 5 GGBDRO Cc1c(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193839842 1433070480 /nfs/dbraw/zinc/07/04/80/1433070480.db2.gz XVFYRKFPBUHHCP-INIZCTEOSA-N 1 0 398.419 3.063 20 5 GGBDRO Cc1c(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193839858 1433070594 /nfs/dbraw/zinc/07/05/94/1433070594.db2.gz XVFYRKFPBUHHCP-MRXNPFEDSA-N 1 0 398.419 3.063 20 5 GGBDRO C[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[N@@H+]1CCc2sccc2C1 ZINC000193854475 1433073642 /nfs/dbraw/zinc/07/36/42/1433073642.db2.gz GSSZMGQWBITBJA-GFCCVEGCSA-N 1 0 386.477 3.400 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000193947275 1433090385 /nfs/dbraw/zinc/09/03/85/1433090385.db2.gz BFQICYKCJMBSFO-HOTGVXAUSA-N 1 0 392.500 3.161 20 5 GGBDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1O2 ZINC000193956588 1433092033 /nfs/dbraw/zinc/09/20/33/1433092033.db2.gz VMNALMGKNKPGNK-SFHVURJKSA-N 1 0 395.459 3.242 20 5 GGBDRO COc1cc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000193999155 1433098542 /nfs/dbraw/zinc/09/85/42/1433098542.db2.gz MLDWUXZDGPMTFE-NSHDSACASA-N 1 0 382.367 3.308 20 5 GGBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000194029430 1433103768 /nfs/dbraw/zinc/10/37/68/1433103768.db2.gz ZDLWJZDSKROUDL-LBPRGKRZSA-N 1 0 390.362 3.209 20 5 GGBDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1O2 ZINC000194035091 1433104903 /nfs/dbraw/zinc/10/49/03/1433104903.db2.gz FGQIXIYZHPKRAT-HNNXBMFYSA-N 1 0 387.461 3.374 20 5 GGBDRO CSc1ccc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000194321242 1433160857 /nfs/dbraw/zinc/16/08/57/1433160857.db2.gz KORLBFRWYYDQFE-MRXNPFEDSA-N 1 0 377.441 3.489 20 5 GGBDRO COc1cccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)c1[N+](=O)[O-] ZINC000194325354 1433161712 /nfs/dbraw/zinc/16/17/12/1433161712.db2.gz NAMLGQRIENMOJL-INIZCTEOSA-N 1 0 375.469 3.378 20 5 GGBDRO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000194337078 1433163557 /nfs/dbraw/zinc/16/35/57/1433163557.db2.gz ZXTYGEOOKDFMHQ-UHFFFAOYSA-N 1 0 395.456 3.054 20 5 GGBDRO C[C@@H](NC(=O)NCc1ccc(OCC[NH+](C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000194431132 1433176868 /nfs/dbraw/zinc/17/68/68/1433176868.db2.gz LRQABDNGARRXHN-OAHLLOKOSA-N 1 0 386.452 3.096 20 5 GGBDRO COc1cccc(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000194442641 1433179013 /nfs/dbraw/zinc/17/90/13/1433179013.db2.gz MHZPUMRXPHUUHX-INIZCTEOSA-N 1 0 383.448 3.340 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000194459870 1433181614 /nfs/dbraw/zinc/18/16/14/1433181614.db2.gz GSQOGASKIQYVSI-UHFFFAOYSA-N 1 0 396.491 3.235 20 5 GGBDRO C[NH+]1CCC(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC000194513067 1433190650 /nfs/dbraw/zinc/19/06/50/1433190650.db2.gz ZQKHSZVWINVNHF-UHFFFAOYSA-N 1 0 383.448 3.245 20 5 GGBDRO C[C@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000194554222 1433196364 /nfs/dbraw/zinc/19/63/64/1433196364.db2.gz LZMAXLGDUZDQIV-OAHLLOKOSA-N 1 0 383.448 3.386 20 5 GGBDRO COc1cccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000194614663 1433205491 /nfs/dbraw/zinc/20/54/91/1433205491.db2.gz FZSSTOZQZNWWRB-WBVHZDCISA-N 1 0 383.448 3.386 20 5 GGBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194751471 1433224578 /nfs/dbraw/zinc/22/45/78/1433224578.db2.gz AIOGJNYEZUAZRH-LJQANCHMSA-N 1 0 396.491 3.425 20 5 GGBDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000194764808 1433227142 /nfs/dbraw/zinc/22/71/42/1433227142.db2.gz JVYHBNZIRVGBNR-HNNXBMFYSA-N 1 0 391.493 3.476 20 5 GGBDRO C[NH+](C)Cc1cccc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000194794581 1433234151 /nfs/dbraw/zinc/23/41/51/1433234151.db2.gz FBVBIYBNUVKQAH-UHFFFAOYSA-N 1 0 383.452 3.011 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000194809202 1433237294 /nfs/dbraw/zinc/23/72/94/1433237294.db2.gz KPIQPODMJODGKR-CALCHBBNSA-N 1 0 389.496 3.255 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000194809236 1433237530 /nfs/dbraw/zinc/23/75/30/1433237530.db2.gz KPIQPODMJODGKR-IRXDYDNUSA-N 1 0 389.496 3.255 20 5 GGBDRO COc1cccc(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000194814489 1433238741 /nfs/dbraw/zinc/23/87/41/1433238741.db2.gz WOGXIFFNWZMMGH-UHFFFAOYSA-N 1 0 398.463 3.377 20 5 GGBDRO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000194853461 1433248911 /nfs/dbraw/zinc/24/89/11/1433248911.db2.gz MRTYPXHIRRUAKJ-YWZLYKJASA-N 1 0 391.468 3.141 20 5 GGBDRO CCOC(=O)[C@]1(C(C)C)CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000194853448 1433248921 /nfs/dbraw/zinc/24/89/21/1433248921.db2.gz MRTYPXHIRRUAKJ-MGPUTAFESA-N 1 0 391.468 3.141 20 5 GGBDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000194865322 1433251710 /nfs/dbraw/zinc/25/17/10/1433251710.db2.gz WFKIROIJAINAOG-HXUWFJFHSA-N 1 0 391.468 3.143 20 5 GGBDRO COc1cccc(C2CC[NH+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000194877430 1433254372 /nfs/dbraw/zinc/25/43/72/1433254372.db2.gz CAFIXURZTVXRIJ-IBGZPJMESA-N 1 0 386.448 3.223 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000195266388 1433313435 /nfs/dbraw/zinc/31/34/35/1433313435.db2.gz SQVWLDNMJKVUMN-GOSISDBHSA-N 1 0 386.452 3.014 20 5 GGBDRO COc1cc(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000195268203 1433313635 /nfs/dbraw/zinc/31/36/35/1433313635.db2.gz VTAFZYIMDBPJJG-UHFFFAOYSA-N 1 0 383.448 3.170 20 5 GGBDRO CCOc1cc(NC(=O)C2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])cc1OCC ZINC000195318896 1433318690 /nfs/dbraw/zinc/31/86/90/1433318690.db2.gz IRMPWNUVQAATQF-UHFFFAOYSA-N 1 0 377.441 3.205 20 5 GGBDRO Cc1c(C(=O)NC2CC[NH+](C(C)(C)C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000195351275 1433321708 /nfs/dbraw/zinc/32/17/08/1433321708.db2.gz FTIXTSJRHKJOOL-UHFFFAOYSA-N 1 0 378.429 3.113 20 5 GGBDRO COc1cc(C[NH2+]CCc2nccs2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000195422805 1433328145 /nfs/dbraw/zinc/32/81/45/1433328145.db2.gz HCZQDDUEPOOPQF-UHFFFAOYSA-N 1 0 391.371 3.333 20 5 GGBDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccccc1O2 ZINC000195475804 1433334666 /nfs/dbraw/zinc/33/46/66/1433334666.db2.gz WYHQOSVLFKIKQR-QGZVFWFLSA-N 1 0 399.422 3.452 20 5 GGBDRO Cc1cc(C(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc([N+](=O)[O-])c1 ZINC000195694066 1433344956 /nfs/dbraw/zinc/34/49/56/1433344956.db2.gz BILGSYQHMLHVMK-CALCHBBNSA-N 1 0 397.475 3.442 20 5 GGBDRO C[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000226491432 1433368660 /nfs/dbraw/zinc/36/86/60/1433368660.db2.gz HDOXYJVTSFWKGJ-QZTJIDSGSA-N 1 0 391.515 3.391 20 5 GGBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000227413614 1433369795 /nfs/dbraw/zinc/36/97/95/1433369795.db2.gz SJLLPGBNVQMVMG-MSOLQXFVSA-N 1 0 391.515 3.391 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000228169736 1433370948 /nfs/dbraw/zinc/37/09/48/1433370948.db2.gz VREBHNUHJDBLKK-CTNGQTDRSA-N 1 0 386.448 3.016 20 5 GGBDRO CC[NH+]1CCC(NCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000236856943 1433381144 /nfs/dbraw/zinc/38/11/44/1433381144.db2.gz SMBJXRRTQBAOSK-UHFFFAOYSA-N 1 0 391.390 3.118 20 5 GGBDRO CN(C)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000237022642 1433386037 /nfs/dbraw/zinc/38/60/37/1433386037.db2.gz LBIUTFAXBUCXGZ-NRFANRHFSA-N 1 0 393.491 3.258 20 5 GGBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000237073063 1433387869 /nfs/dbraw/zinc/38/78/69/1433387869.db2.gz OHANLQQDIMZPED-HZPDHXFCSA-N 1 0 397.479 3.235 20 5 GGBDRO C[NH2+]CC1CCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000237082844 1433388361 /nfs/dbraw/zinc/38/83/61/1433388361.db2.gz IDNBSRVJIKOUBI-HNNXBMFYSA-N 1 0 397.479 3.235 20 5 GGBDRO COc1cc(C(=O)N(C)[C@@H](C)C[NH3+])ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000237083023 1433388394 /nfs/dbraw/zinc/38/83/94/1433388394.db2.gz VFYOKLILLXBIMJ-NSHDSACASA-N 1 0 393.827 3.468 20 5 GGBDRO C[NH2+]CC1CCN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000237082003 1433388469 /nfs/dbraw/zinc/38/84/69/1433388469.db2.gz VNPHKQINCWZTJR-IYBDPMFKSA-N 1 0 388.512 3.149 20 5 GGBDRO COCC[NH+]1CCC(NCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000237125554 1433389913 /nfs/dbraw/zinc/38/99/13/1433389913.db2.gz KVUSEXUHKQFIPR-UHFFFAOYSA-N 1 0 389.452 3.064 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC[NH2+]C2CCCCCC2)cc1SC ZINC000237121285 1433390115 /nfs/dbraw/zinc/39/01/15/1433390115.db2.gz RQNBWLZSNQBVDS-UHFFFAOYSA-N 1 0 381.498 3.368 20 5 GGBDRO CN(C)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000237167779 1433391386 /nfs/dbraw/zinc/39/13/86/1433391386.db2.gz CXBRGIXZEPTZJI-KRWDZBQOSA-N 1 0 385.493 3.449 20 5 GGBDRO COc1cc(C[NH2+]CCOc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1O ZINC000237183576 1433391716 /nfs/dbraw/zinc/39/17/16/1433391716.db2.gz XFQSRYGRWQYSPV-UHFFFAOYSA-N 1 0 386.326 3.496 20 5 GGBDRO C[NH2+]Cc1cccc(NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000237216777 1433392732 /nfs/dbraw/zinc/39/27/32/1433392732.db2.gz BQDQTEHNJAMAHG-UHFFFAOYSA-N 1 0 375.450 3.195 20 5 GGBDRO COc1ccc(CSCC(=O)NCC2([NH3+])CCCCCC2)cc1[N+](=O)[O-] ZINC000237215267 1433392929 /nfs/dbraw/zinc/39/29/29/1433392929.db2.gz CUGBZBXXSHIBFI-UHFFFAOYSA-N 1 0 381.498 3.005 20 5 GGBDRO COCCOc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000237209940 1433392956 /nfs/dbraw/zinc/39/29/56/1433392956.db2.gz IUIAJDNQQGMQRZ-UHFFFAOYSA-N 1 0 396.447 3.310 20 5 GGBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000237256358 1433394406 /nfs/dbraw/zinc/39/44/06/1433394406.db2.gz OHANLQQDIMZPED-HOTGVXAUSA-N 1 0 397.479 3.235 20 5 GGBDRO CSc1ccc(C(=O)c2ccccc2C(=O)NCCCC[NH3+])cc1[N+](=O)[O-] ZINC000237313522 1433396837 /nfs/dbraw/zinc/39/68/37/1433396837.db2.gz LQQPHCAEPXQQIK-UHFFFAOYSA-N 1 0 387.461 3.016 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N3C[C@@H](C)[NH2+]C[C@@H]3C)cc2[N+](=O)[O-])n1 ZINC000237359370 1433399071 /nfs/dbraw/zinc/39/90/71/1433399071.db2.gz BCLNKRZKBZGJSK-PWSUYJOCSA-N 1 0 392.506 3.333 20 5 GGBDRO COc1ccc(OC)c(CC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000237375808 1433399562 /nfs/dbraw/zinc/39/95/62/1433399562.db2.gz WVNRXEZYGIVBNT-UHFFFAOYSA-N 1 0 396.447 3.345 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N3CC[C@@H]([NH3+])C[C@H]3C)cc2[N+](=O)[O-])n1 ZINC000237420119 1433402113 /nfs/dbraw/zinc/40/21/13/1433402113.db2.gz LRWNENGZNQXFRV-DGCLKSJQSA-N 1 0 392.506 3.463 20 5 GGBDRO COc1cc(C[NH2+]C[C@@H](C(C)C)N2CCc3ccccc3C2)c([N+](=O)[O-])cc1O ZINC000237421999 1433402561 /nfs/dbraw/zinc/40/25/61/1433402561.db2.gz ZUJLDTHJVBJROC-FQEVSTJZSA-N 1 0 399.491 3.482 20 5 GGBDRO C[C@@H]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000237437097 1433403367 /nfs/dbraw/zinc/40/33/67/1433403367.db2.gz ABJMARWMVOPVGP-QRWLVFNGSA-N 1 0 382.464 3.406 20 5 GGBDRO COc1cc(C[NH2+]C[C@H](C(C)C)N2CCc3ccccc3C2)c([N+](=O)[O-])cc1O ZINC000237447570 1433403762 /nfs/dbraw/zinc/40/37/62/1433403762.db2.gz ZUJLDTHJVBJROC-HXUWFJFHSA-N 1 0 399.491 3.482 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@@H](C[NH3+])C2)cc1 ZINC000237455126 1433403917 /nfs/dbraw/zinc/40/39/17/1433403917.db2.gz GCUCRINEQKBLPL-AWEZNQCLSA-N 1 0 385.420 3.207 20 5 GGBDRO C[C@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000237548923 1433408794 /nfs/dbraw/zinc/40/87/94/1433408794.db2.gz IGUSIAOZGCRMMG-HOTGVXAUSA-N 1 0 383.448 3.134 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000237569964 1433410300 /nfs/dbraw/zinc/41/03/00/1433410300.db2.gz ZKVWFJAGJPBTTC-UHFFFAOYSA-N 1 0 383.404 3.064 20 5 GGBDRO Cc1nn(Cc2ccc(C(=O)N[C@@H](C[NH3+])C3CCCCC3)cc2)c(C)c1[N+](=O)[O-] ZINC000237638698 1433414073 /nfs/dbraw/zinc/41/40/73/1433414073.db2.gz HEPPYCZPNJZKRU-IBGZPJMESA-N 1 0 399.495 3.094 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)NC[C@@H]3CCCC[NH2+]3)cc2[N+](=O)[O-])n1 ZINC000237649264 1433414883 /nfs/dbraw/zinc/41/48/83/1433414883.db2.gz DSMJSRPTSOJOEJ-ZDUSSCGKSA-N 1 0 392.506 3.383 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N[C@@](C)(C[NH3+])C3CC3)cc2[N+](=O)[O-])n1 ZINC000237649614 1433415052 /nfs/dbraw/zinc/41/50/52/1433415052.db2.gz OBTXBMPRYNYMGV-KRWDZBQOSA-N 1 0 392.506 3.368 20 5 GGBDRO O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000237690652 1433416947 /nfs/dbraw/zinc/41/69/47/1433416947.db2.gz RTDBJIJNXHNUJL-LBPRGKRZSA-N 1 0 393.802 3.405 20 5 GGBDRO C[C@H]1C[C@H](C)C[NH+](CCCNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000237706237 1433418265 /nfs/dbraw/zinc/41/82/65/1433418265.db2.gz XKKNNBNVTQFGCN-IRXDYDNUSA-N 1 0 385.512 3.453 20 5 GGBDRO Cc1sc(C(=O)Nc2cccc(C(=O)OC3CC[NH2+]CC3)c2)cc1[N+](=O)[O-] ZINC000237724622 1433419171 /nfs/dbraw/zinc/41/91/71/1433419171.db2.gz KLFXRVCVQNAOTK-UHFFFAOYSA-N 1 0 389.433 3.126 20 5 GGBDRO Cc1sc(C(=O)Nc2ccccc2C(=O)OC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000237724212 1433419177 /nfs/dbraw/zinc/41/91/77/1433419177.db2.gz DPQZYIDJRGZGCA-UHFFFAOYSA-N 1 0 389.433 3.126 20 5 GGBDRO O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCC[NH2+]CC1 ZINC000237772178 1433422663 /nfs/dbraw/zinc/42/26/63/1433422663.db2.gz FCLRZUAIQLJVSY-UHFFFAOYSA-N 1 0 375.812 3.476 20 5 GGBDRO Cn1cc(C[NH2+]Cc2ccc(N3CCCC3)nc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237775700 1433423362 /nfs/dbraw/zinc/42/33/62/1433423362.db2.gz CZAKAGGKHJNSIJ-UHFFFAOYSA-N 1 0 392.463 3.280 20 5 GGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)cs1 ZINC000237785122 1433423771 /nfs/dbraw/zinc/42/37/71/1433423771.db2.gz WILAHNHRGHMKDG-MRXNPFEDSA-N 1 0 381.885 3.473 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000237794696 1433424644 /nfs/dbraw/zinc/42/46/44/1433424644.db2.gz WJTDYEGMXJBBQN-IBGZPJMESA-N 1 0 375.856 3.411 20 5 GGBDRO [NH3+]C1CCC(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CC1 ZINC000237818765 1433425997 /nfs/dbraw/zinc/42/59/97/1433425997.db2.gz GDAUWFINKGIYIP-UHFFFAOYSA-N 1 0 398.250 3.087 20 5 GGBDRO [NH3+]C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CCCCC1 ZINC000237882671 1433431012 /nfs/dbraw/zinc/43/10/12/1433431012.db2.gz UVGWJHCDKOIQOT-IBGZPJMESA-N 1 0 377.488 3.179 20 5 GGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)ccc1Oc1ccc(F)cc1 ZINC000237881416 1433431024 /nfs/dbraw/zinc/43/10/24/1433431024.db2.gz OKJLTRFIIYPOOK-AWEZNQCLSA-N 1 0 394.424 3.051 20 5 GGBDRO O=C(NCC[C@H]1CCC[NH2+]C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000237882182 1433431146 /nfs/dbraw/zinc/43/11/46/1433431146.db2.gz BSXJRJPAQRGHNF-QGZVFWFLSA-N 1 0 382.464 3.326 20 5 GGBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000237974482 1433437745 /nfs/dbraw/zinc/43/77/45/1433437745.db2.gz CYOJGWJIUREPBZ-YPMHNXCESA-N 1 0 388.390 3.049 20 5 GGBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000238019275 1433439471 /nfs/dbraw/zinc/43/94/71/1433439471.db2.gz GCXILWHNLJTFRX-QZTJIDSGSA-N 1 0 382.464 3.454 20 5 GGBDRO [NH3+][C@@H](CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000238041224 1433440805 /nfs/dbraw/zinc/44/08/05/1433440805.db2.gz MQYRYLHBVWIDFQ-INIZCTEOSA-N 1 0 388.855 3.327 20 5 GGBDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000238050476 1433441128 /nfs/dbraw/zinc/44/11/28/1433441128.db2.gz SVOGRERSMWQECJ-OAHLLOKOSA-N 1 0 388.855 3.424 20 5 GGBDRO [NH3+]CCCCNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000238052847 1433441163 /nfs/dbraw/zinc/44/11/63/1433441163.db2.gz HOUHRFUAGKDVPY-UHFFFAOYSA-N 1 0 376.844 3.329 20 5 GGBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000238146708 1433444197 /nfs/dbraw/zinc/44/41/97/1433444197.db2.gz BSXJRJPAQRGHNF-KRWDZBQOSA-N 1 0 382.464 3.326 20 5 GGBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000245426073 1433465734 /nfs/dbraw/zinc/46/57/34/1433465734.db2.gz FPRZUGREWPWMDL-YPMHNXCESA-N 1 0 384.383 3.287 20 5 GGBDRO Cc1cccc(C)c1NC(=O)[C@H](C)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245445307 1433469175 /nfs/dbraw/zinc/46/91/75/1433469175.db2.gz KGLAKKMNOMHJOR-JKSUJKDBSA-N 1 0 383.452 3.120 20 5 GGBDRO CC[NH+](CC)C[C@@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000245455311 1433471112 /nfs/dbraw/zinc/47/11/12/1433471112.db2.gz SKTRKPFYLDQEGK-KGLIPLIRSA-N 1 0 382.892 3.239 20 5 GGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245466409 1433474059 /nfs/dbraw/zinc/47/40/59/1433474059.db2.gz YXZKBCGIKHQYJV-GJZGRUSLSA-N 1 0 394.903 3.383 20 5 GGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H](O)CN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000245596685 1433489209 /nfs/dbraw/zinc/48/92/09/1433489209.db2.gz NJLBNYJUCQWLCW-PWIZWCRZSA-N 1 0 399.491 3.280 20 5 GGBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245679432 1433498469 /nfs/dbraw/zinc/49/84/69/1433498469.db2.gz GULKJUNFBHMWDY-WOJBJXKFSA-N 1 0 388.512 3.004 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000245679487 1433498499 /nfs/dbraw/zinc/49/84/99/1433498499.db2.gz MEEMGNUJLJUHAU-LSDHHAIUSA-N 1 0 395.525 3.184 20 5 GGBDRO CN1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245702971 1433502430 /nfs/dbraw/zinc/50/24/30/1433502430.db2.gz NPPODXSCPIOPMJ-MEDUHNTESA-N 1 0 381.791 3.403 20 5 GGBDRO COc1cc2c(c(C[N@@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)c1)O[C@@H](C)C2 ZINC000245716265 1433505043 /nfs/dbraw/zinc/50/50/43/1433505043.db2.gz HAFDWKMUZVHWTE-XJKSGUPXSA-N 1 0 384.436 3.008 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2noc(CN(C[C@H]3CCCO3)[C@H]3CCSC3)n2)cc1 ZINC000245878412 1433532539 /nfs/dbraw/zinc/53/25/39/1433532539.db2.gz MZEAATCVDRRUFV-JKSUJKDBSA-N 1 0 390.465 3.131 20 5 GGBDRO COc1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000245898634 1433536966 /nfs/dbraw/zinc/53/69/66/1433536966.db2.gz DHVRTEAAFKPXOL-DZGCQCFKSA-N 1 0 399.438 3.163 20 5 GGBDRO COc1ccc([C@H]2CC[N@@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)cc1 ZINC000246018434 1433558400 /nfs/dbraw/zinc/55/84/00/1433558400.db2.gz KJJHHYVHWIVHOL-JXFKEZNVSA-N 1 0 381.432 3.198 20 5 GGBDRO O=C(NC[C@H]1CCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1 ZINC000246245129 1433586001 /nfs/dbraw/zinc/58/60/01/1433586001.db2.gz IHLMQIXLSIQVBF-WOJBJXKFSA-N 1 0 398.463 3.304 20 5 GGBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000246256946 1433586982 /nfs/dbraw/zinc/58/69/82/1433586982.db2.gz KLLRJNSRSFJSTA-LPHOPBHVSA-N 1 0 386.496 3.141 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000246270380 1433588260 /nfs/dbraw/zinc/58/82/60/1433588260.db2.gz AVWKEWIMWUMHSG-IAGOWNOFSA-N 1 0 388.512 3.387 20 5 GGBDRO O=C(CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000246280661 1433589204 /nfs/dbraw/zinc/58/92/04/1433589204.db2.gz AWVYBDOIXFTDCX-GUYCJALGSA-N 1 0 392.887 3.135 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246285120 1433589824 /nfs/dbraw/zinc/58/98/24/1433589824.db2.gz CQFCUFXIEJZSCM-IAGOWNOFSA-N 1 0 395.525 3.178 20 5 GGBDRO COc1cc(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000246314369 1433593535 /nfs/dbraw/zinc/59/35/35/1433593535.db2.gz GJWUNCHZJNMSOU-JKSUJKDBSA-N 1 0 375.469 3.330 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000246333751 1433596437 /nfs/dbraw/zinc/59/64/37/1433596437.db2.gz IKDHZCDOJZWGES-HUUCEWRRSA-N 1 0 399.488 3.009 20 5 GGBDRO COc1cccc(C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]2CCCO2)c1 ZINC000246365596 1433601637 /nfs/dbraw/zinc/60/16/37/1433601637.db2.gz XUZOAHAJICEMPT-NHCUHLMSSA-N 1 0 386.448 3.318 20 5 GGBDRO COc1ccc(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000246377446 1433603392 /nfs/dbraw/zinc/60/33/92/1433603392.db2.gz MJFJGMNTMFWYTJ-HZPDHXFCSA-N 1 0 375.469 3.330 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000246393424 1433606293 /nfs/dbraw/zinc/60/62/93/1433606293.db2.gz SNCHGJPYICDTJS-RDJZCZTQSA-N 1 0 392.500 3.470 20 5 GGBDRO CCOc1ccc([C@H](C)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000246403258 1433607406 /nfs/dbraw/zinc/60/74/06/1433607406.db2.gz LXBWOEHWMBTYAU-QKYXUNIQSA-N 1 0 391.512 3.412 20 5 GGBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000246535478 1433626700 /nfs/dbraw/zinc/62/67/00/1433626700.db2.gz JOSJGTVTQDXKFQ-YRNRMSPPSA-N 1 0 386.496 3.179 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246688530 1433650270 /nfs/dbraw/zinc/65/02/70/1433650270.db2.gz CWIFBTIQEPDIBV-XJKSGUPXSA-N 1 0 383.876 3.115 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@@H](C)C1 ZINC000246692339 1433650776 /nfs/dbraw/zinc/65/07/76/1433650776.db2.gz DFDYMZWKXZKTTM-GOEBONIOSA-N 1 0 390.484 3.028 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000246778494 1433664807 /nfs/dbraw/zinc/66/48/07/1433664807.db2.gz PWAQZBHNQJUQJY-NRFANRHFSA-N 1 0 396.491 3.012 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C1 ZINC000246909976 1433685846 /nfs/dbraw/zinc/68/58/46/1433685846.db2.gz VSZBXVLYUKIAFS-SUMWQHHRSA-N 1 0 383.876 3.115 20 5 GGBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)[C@H]3CCC[N@H+](C)C3)cc2[N+](=O)[O-])C1 ZINC000247356300 1433712886 /nfs/dbraw/zinc/71/28/86/1433712886.db2.gz JXVKBGOUONZAMG-JZXOWHBKSA-N 1 0 388.512 3.243 20 5 GGBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000247379248 1433715297 /nfs/dbraw/zinc/71/52/97/1433715297.db2.gz LARWHKBKBFRXKF-YPGOJHLTSA-N 1 0 381.476 3.410 20 5 GGBDRO Cc1nc2c(s1)[C@@H]([N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC000247414013 1433719355 /nfs/dbraw/zinc/71/93/55/1433719355.db2.gz CSWQRZHCTSQXKN-PBHICJAKSA-N 1 0 377.466 3.109 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000247673929 1433746197 /nfs/dbraw/zinc/74/61/97/1433746197.db2.gz YWVZKKYRFAULQB-JIPZTSHUSA-N 1 0 397.475 3.490 20 5 GGBDRO Nc1c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000248064549 1433767504 /nfs/dbraw/zinc/76/75/04/1433767504.db2.gz MCFQRRYDAMJVRS-IEBWSBKVSA-N 1 0 394.475 3.304 20 5 GGBDRO CCc1nc2c(s1)[C@H]([N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC000248197652 1433779502 /nfs/dbraw/zinc/77/95/02/1433779502.db2.gz LYCHQLJDDNAEKZ-RHSMWYFYSA-N 1 0 391.493 3.363 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000248374853 1433789723 /nfs/dbraw/zinc/78/97/23/1433789723.db2.gz UORUJLIVLQPWPC-MOPGFXCFSA-N 1 0 386.448 3.016 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000248428972 1433802024 /nfs/dbraw/zinc/80/20/24/1433802024.db2.gz PVTSYCZBCRSKQG-IAGOWNOFSA-N 1 0 395.525 3.011 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000248459475 1433804683 /nfs/dbraw/zinc/80/46/83/1433804683.db2.gz NRDAINNVWJBENU-HZPDHXFCSA-N 1 0 397.431 3.355 20 5 GGBDRO O=C(C[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000248461051 1433804687 /nfs/dbraw/zinc/80/46/87/1433804687.db2.gz OTQDKTGINXAPJT-GJZGRUSLSA-N 1 0 390.461 3.133 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000248469133 1433805368 /nfs/dbraw/zinc/80/53/68/1433805368.db2.gz UNZSRMYIEGTGEX-LSDHHAIUSA-N 1 0 392.839 3.141 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)[C@@H](C)C1 ZINC000248635745 1433812906 /nfs/dbraw/zinc/81/29/06/1433812906.db2.gz KFTZXCWGWVRGOO-DLBZAZTESA-N 1 0 392.500 3.470 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000248773744 1433821769 /nfs/dbraw/zinc/82/17/69/1433821769.db2.gz HLJGSNOLIDMAGY-HNAYVOBHSA-N 1 0 390.443 3.393 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000248773734 1433821800 /nfs/dbraw/zinc/82/18/00/1433821800.db2.gz HLJGSNOLIDMAGY-DNVCBOLYSA-N 1 0 390.443 3.393 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000248820238 1433823848 /nfs/dbraw/zinc/82/38/48/1433823848.db2.gz LGYYYXNCDQSWFV-SJKOYZFVSA-N 1 0 375.375 3.123 20 5 GGBDRO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000248886139 1433827789 /nfs/dbraw/zinc/82/77/89/1433827789.db2.gz XYSDQRBWBSIEMJ-QOKNQOGYSA-N 1 0 385.420 3.066 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000248917240 1433829449 /nfs/dbraw/zinc/82/94/49/1433829449.db2.gz WFLKUNMDTOCCLN-IFXJQAMLSA-N 1 0 387.867 3.427 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000248958617 1433830647 /nfs/dbraw/zinc/83/06/47/1433830647.db2.gz FTKCASWKMIUHBL-YJBOKZPZSA-N 1 0 378.473 3.162 20 5 GGBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248963892 1433830921 /nfs/dbraw/zinc/83/09/21/1433830921.db2.gz GWAVNGCJXSZBOV-DYESRHJHSA-N 1 0 394.475 3.304 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)c1 ZINC000249035691 1433832777 /nfs/dbraw/zinc/83/27/77/1433832777.db2.gz TZFFVQDNJSMOQL-HIFRSBDPSA-N 1 0 378.375 3.102 20 5 GGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[C@@H](O)CN1Cc1ccccc1)CCC2 ZINC000249058487 1433833450 /nfs/dbraw/zinc/83/34/50/1433833450.db2.gz ZJXHBGKDASIBIE-TUNNFDKTSA-N 1 0 381.476 3.197 20 5 GGBDRO C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCC[C@H]2c2ccccc2)C1=O ZINC000249122432 1433836235 /nfs/dbraw/zinc/83/62/35/1433836235.db2.gz XOCDLXAWUBDFNJ-RXVVDRJESA-N 1 0 394.431 3.156 20 5 GGBDRO COc1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000252802581 1433864936 /nfs/dbraw/zinc/86/49/36/1433864936.db2.gz PIBHSSLIFQAVLV-YOEHRIQHSA-N 1 0 375.469 3.061 20 5 GGBDRO C[C@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000253548864 1433868993 /nfs/dbraw/zinc/86/89/93/1433868993.db2.gz FNSQABDSTOLDDA-OWCLPIDISA-N 1 0 375.469 3.226 20 5 GGBDRO C[N@H+](CCN1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1)Cc1ccccc1 ZINC000255081324 1433876021 /nfs/dbraw/zinc/87/60/21/1433876021.db2.gz NJEJZYVNPPAXDN-XFFZJAGNSA-N 1 0 394.519 3.358 20 5 GGBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000255134530 1433877180 /nfs/dbraw/zinc/87/71/80/1433877180.db2.gz BFTLQOHDLQUBMV-UITAMQMPSA-N 1 0 379.460 3.385 20 5 GGBDRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000261608135 1433897223 /nfs/dbraw/zinc/89/72/23/1433897223.db2.gz BLMIQKQMSRVZJD-IBGZPJMESA-N 1 0 383.448 3.099 20 5 GGBDRO [NH3+]C1(c2noc(CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)CCCC1 ZINC000261791593 1433904119 /nfs/dbraw/zinc/90/41/19/1433904119.db2.gz OOZNXHOTXZRULB-UHFFFAOYSA-N 1 0 385.346 3.379 20 5 GGBDRO CC1CCN(c2ccc(C(=O)N3CCC4(CC[NH2+]C4)CC3)cc2[N+](=O)[O-])CC1 ZINC000261795466 1433904491 /nfs/dbraw/zinc/90/44/91/1433904491.db2.gz MFUUQKBOPYFODS-UHFFFAOYSA-N 1 0 386.496 3.047 20 5 GGBDRO [NH3+]CCN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CCc1ccccc1 ZINC000261812786 1433905036 /nfs/dbraw/zinc/90/50/36/1433905036.db2.gz STRXWEZRMRUAHA-UHFFFAOYSA-N 1 0 380.448 3.296 20 5 GGBDRO C[NH2+][C@H](C)Cc1noc(-c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)n1 ZINC000261846057 1433906703 /nfs/dbraw/zinc/90/67/03/1433906703.db2.gz SKMFOZMWOOOMKM-MRVPVSSYSA-N 1 0 397.222 3.288 20 5 GGBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261889174 1433909986 /nfs/dbraw/zinc/90/99/86/1433909986.db2.gz ZMGNYODHAKVEMD-YLQAJVPDSA-N 1 0 388.855 3.002 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000261889186 1433910132 /nfs/dbraw/zinc/91/01/32/1433910132.db2.gz ZMILVTQUHYOOOD-IBGZPJMESA-N 1 0 386.427 3.017 20 5 GGBDRO COc1ccc(CN2CC[C@](C)(C[NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000261918120 1433912371 /nfs/dbraw/zinc/91/23/71/1433912371.db2.gz YIUBMAAESQKDGW-OAQYLSRUSA-N 1 0 385.464 3.353 20 5 GGBDRO Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000261921315 1433913138 /nfs/dbraw/zinc/91/31/38/1433913138.db2.gz BRNSCYKRDHEBAJ-KRWDZBQOSA-N 1 0 383.477 3.203 20 5 GGBDRO [NH3+][C@H](CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000261939239 1433914310 /nfs/dbraw/zinc/91/43/10/1433914310.db2.gz MQYRYLHBVWIDFQ-MRXNPFEDSA-N 1 0 388.855 3.327 20 5 GGBDRO COc1ccc(-c2ccc(CN3CC[NH2+]C[C@H]3c3ccncc3)o2)c([N+](=O)[O-])c1 ZINC000261949849 1433915600 /nfs/dbraw/zinc/91/56/00/1433915600.db2.gz FUDLFPBYJFWYSA-FQEVSTJZSA-N 1 0 394.431 3.405 20 5 GGBDRO COc1cc(CN2CC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000261951993 1433916036 /nfs/dbraw/zinc/91/60/36/1433916036.db2.gz GCCJQYQQIMSYGD-JOCHJYFZSA-N 1 0 397.475 3.368 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CC[NH2+]C[C@@H]3c3ccncc3)cs2)c1 ZINC000262013619 1433922121 /nfs/dbraw/zinc/92/21/21/1433922121.db2.gz MMQQTCFSTNPGLK-GOSISDBHSA-N 1 0 381.461 3.260 20 5 GGBDRO COc1cc(CN2CC[C@]3(CC[NH2+]C3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000262098580 1433926920 /nfs/dbraw/zinc/92/69/20/1433926920.db2.gz VJOSTVJMJUWXMQ-QFIPXVFZSA-N 1 0 397.475 3.368 20 5 GGBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000262464948 1433940088 /nfs/dbraw/zinc/94/00/88/1433940088.db2.gz XSEXXERDQHWIAZ-KRWDZBQOSA-N 1 0 386.477 3.023 20 5 GGBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2[N+](=O)[O-])C1 ZINC000262518664 1433942336 /nfs/dbraw/zinc/94/23/36/1433942336.db2.gz WGAOPVUKBDFJEZ-KSTANIPCSA-N 1 0 386.496 3.090 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)NC2CCC([NH3+])CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000262548665 1433943396 /nfs/dbraw/zinc/94/33/96/1433943396.db2.gz OIIFYTKMAAUIIE-JEYLPNPQSA-N 1 0 383.452 3.163 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N(C)CC(C)(C)C[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000262572705 1433944069 /nfs/dbraw/zinc/94/40/69/1433944069.db2.gz BZPGVLZVSROQAF-AWEZNQCLSA-N 1 0 385.468 3.220 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000262588298 1433945053 /nfs/dbraw/zinc/94/50/53/1433945053.db2.gz PYVJEELOXJYAOL-YSVLISHTSA-N 1 0 383.452 3.020 20 5 GGBDRO CCCC[C@H](C[NH3+])NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000262593681 1433945364 /nfs/dbraw/zinc/94/53/64/1433945364.db2.gz HGOYPJZQCSEUMP-GOEBONIOSA-N 1 0 385.468 3.410 20 5 GGBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000262613080 1433946495 /nfs/dbraw/zinc/94/64/95/1433946495.db2.gz ZDIVERDJLVOODJ-GOEBONIOSA-N 1 0 385.468 3.266 20 5 GGBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000262637583 1433947458 /nfs/dbraw/zinc/94/74/58/1433947458.db2.gz QFGXRXCJMQIBFO-VBKZILBWSA-N 1 0 385.468 3.266 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N[C@](C)(C[NH3+])C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000262653845 1433948005 /nfs/dbraw/zinc/94/80/05/1433948005.db2.gz ZDBVMZRBOGRSSZ-RNODOKPDSA-N 1 0 383.452 3.020 20 5 GGBDRO CCC([NH3+])(CC)CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000262652282 1433948222 /nfs/dbraw/zinc/94/82/22/1433948222.db2.gz VSPDZLSCPOAVHX-AWEZNQCLSA-N 1 0 385.468 3.410 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)N[C@](C)(C[NH3+])C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000262653847 1433948244 /nfs/dbraw/zinc/94/82/44/1433948244.db2.gz ZDBVMZRBOGRSSZ-ZUOKHONESA-N 1 0 383.452 3.020 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N3CC[NH2+][C@@H](C)[C@H]3C)cc2[N+](=O)[O-])n1 ZINC000262691795 1433950002 /nfs/dbraw/zinc/95/00/02/1433950002.db2.gz AAANGWBCYJQCSV-NWDGAFQWSA-N 1 0 392.506 3.333 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000262939017 1433968810 /nfs/dbraw/zinc/96/88/10/1433968810.db2.gz UIWUUEBEKMOZQP-KBPBESRZSA-N 1 0 385.420 3.266 20 5 GGBDRO Cc1cc(NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000263565291 1434013433 /nfs/dbraw/zinc/01/34/33/1434013433.db2.gz VNFZBOMQLLUQFA-UHFFFAOYSA-N 1 0 384.436 3.191 20 5 GGBDRO Cc1nn(CCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c(C)c1[N+](=O)[O-] ZINC000263678148 1434019347 /nfs/dbraw/zinc/01/93/47/1434019347.db2.gz NZGFXMRKQRYPGS-UHFFFAOYSA-N 1 0 399.495 3.101 20 5 GGBDRO Cn1cc(C[NH2+]Cc2ccnc(N3CCCC3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000263783995 1434033551 /nfs/dbraw/zinc/03/35/51/1434033551.db2.gz GDVBNFZRZHBPRF-UHFFFAOYSA-N 1 0 392.463 3.280 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000264139440 1434075139 /nfs/dbraw/zinc/07/51/39/1434075139.db2.gz JSBMRKKFEQAFLP-RDJZCZTQSA-N 1 0 397.479 3.329 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1SC ZINC000264168702 1434077720 /nfs/dbraw/zinc/07/77/20/1434077720.db2.gz PAXRSZLGGQXTHS-OLZOCXBDSA-N 1 0 381.498 3.176 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1SC ZINC000264168706 1434077826 /nfs/dbraw/zinc/07/78/26/1434077826.db2.gz PAXRSZLGGQXTHS-STQMWFEESA-N 1 0 381.498 3.176 20 5 GGBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264450508 1434114532 /nfs/dbraw/zinc/11/45/32/1434114532.db2.gz GNIWPQWLCGRORS-CYBMUJFWSA-N 1 0 384.383 3.288 20 5 GGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264546332 1434126451 /nfs/dbraw/zinc/12/64/51/1434126451.db2.gz BXFGWFZRQPIDLT-HIFRSBDPSA-N 1 0 380.876 3.135 20 5 GGBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264587541 1434131444 /nfs/dbraw/zinc/13/14/44/1434131444.db2.gz VNRBXWKYIRXDDM-MRXNPFEDSA-N 1 0 386.477 3.419 20 5 GGBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264587539 1434131622 /nfs/dbraw/zinc/13/16/22/1434131622.db2.gz VNRBXWKYIRXDDM-INIZCTEOSA-N 1 0 386.477 3.419 20 5 GGBDRO CC[N@@H+]1CCCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000264602790 1434133390 /nfs/dbraw/zinc/13/33/90/1434133390.db2.gz FDYQDPRXIRPFBD-MRXNPFEDSA-N 1 0 397.479 3.331 20 5 GGBDRO CCCc1[nH]nc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1[N+](=O)[O-] ZINC000264703046 1434146126 /nfs/dbraw/zinc/14/61/26/1434146126.db2.gz XAYFLSZOENKRLN-UHFFFAOYSA-N 1 0 389.481 3.072 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@@H]3[C@@H](O)C(F)(F)F)o2)c1 ZINC000264753359 1434151834 /nfs/dbraw/zinc/15/18/34/1434151834.db2.gz XCQZHQLCXKRQDV-CZUORRHYSA-N 1 0 385.342 3.180 20 5 GGBDRO C[NH+](C)CCOc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000264929438 1434165430 /nfs/dbraw/zinc/16/54/30/1434165430.db2.gz OOVPOOFZOZBAGF-UHFFFAOYSA-N 1 0 377.828 3.119 20 5 GGBDRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000264961976 1434168229 /nfs/dbraw/zinc/16/82/29/1434168229.db2.gz ZTCMSIJZBDQUFW-CABCVRRESA-N 1 0 385.468 3.233 20 5 GGBDRO COc1ccc(CNC(=O)c2oc3ccccc3c2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000265027814 1434176161 /nfs/dbraw/zinc/17/61/61/1434176161.db2.gz FEPIZNPMUZSFKG-UHFFFAOYSA-N 1 0 383.404 3.341 20 5 GGBDRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000265180314 1434195249 /nfs/dbraw/zinc/19/52/49/1434195249.db2.gz MYZTVRRFPACBMS-CABCVRRESA-N 1 0 388.493 3.455 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000265211573 1434200418 /nfs/dbraw/zinc/20/04/18/1434200418.db2.gz RNNMGFFOPOQPHQ-LSDHHAIUSA-N 1 0 396.447 3.399 20 5 GGBDRO COc1ccc(NC(=O)CC[NH2+]C(C)(C)c2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000265467867 1434237110 /nfs/dbraw/zinc/23/71/10/1434237110.db2.gz YZOVBKMJEKZCAK-UHFFFAOYSA-N 1 0 378.454 3.222 20 5 GGBDRO Cc1cc(NC2CC[NH+](C[C@H]3CCOC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000265485563 1434238700 /nfs/dbraw/zinc/23/87/00/1434238700.db2.gz IYUCWYDWVOIIPV-MRXNPFEDSA-N 1 0 397.479 3.273 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](O)C3CCOCC3)o2)c(Cl)c1 ZINC000265594168 1434249027 /nfs/dbraw/zinc/24/90/27/1434249027.db2.gz KWTZVGDDSUZTIM-QGZVFWFLSA-N 1 0 380.828 3.385 20 5 GGBDRO O=C(c1cc(N2CCC[N@@H+](C3CCCC3)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000265606729 1434250092 /nfs/dbraw/zinc/25/00/92/1434250092.db2.gz UEQRTAKZOILDTR-UHFFFAOYSA-N 1 0 386.496 3.286 20 5 GGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c2ccncc21 ZINC000265755991 1434262804 /nfs/dbraw/zinc/26/28/04/1434262804.db2.gz DUNIYYZUSVDABZ-YLJYHZDGSA-N 1 0 392.459 3.438 20 5 GGBDRO COc1cc(C(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)cc([N+](=O)[O-])c1OC ZINC000265858010 1434273488 /nfs/dbraw/zinc/27/34/88/1434273488.db2.gz CIJZCCLOTXJWMK-MRXNPFEDSA-N 1 0 397.431 3.237 20 5 GGBDRO O=C(Nc1ccc(O)cc1)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000265990473 1434293522 /nfs/dbraw/zinc/29/35/22/1434293522.db2.gz JHIJKGLDNATPDH-UHFFFAOYSA-N 1 0 385.420 3.030 20 5 GGBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000266131247 1434305841 /nfs/dbraw/zinc/30/58/41/1434305841.db2.gz OKZIKOSNBBYSFA-KRWDZBQOSA-N 1 0 386.408 3.393 20 5 GGBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000266295715 1434317299 /nfs/dbraw/zinc/31/72/99/1434317299.db2.gz HYCPYQUDAKEAFT-AWEZNQCLSA-N 1 0 383.876 3.207 20 5 GGBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000266315838 1434319469 /nfs/dbraw/zinc/31/94/69/1434319469.db2.gz QNZLKDCTWOGBGN-KRWDZBQOSA-N 1 0 388.512 3.389 20 5 GGBDRO CN1CCC([NH+]2CCC(Nc3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)CC1 ZINC000266386513 1434328674 /nfs/dbraw/zinc/32/86/74/1434328674.db2.gz NLUHNLMTKCSSAO-UHFFFAOYSA-N 1 0 384.427 3.167 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000267298739 1434420523 /nfs/dbraw/zinc/42/05/23/1434420523.db2.gz UCRSLNACCKOYGY-IERDGZPVSA-N 1 0 397.475 3.462 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000267395282 1434428954 /nfs/dbraw/zinc/42/89/54/1434428954.db2.gz IQTQXHFJYUQRBD-FUHWJXTLSA-N 1 0 383.448 3.000 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000267395279 1434429007 /nfs/dbraw/zinc/42/90/07/1434429007.db2.gz IQTQXHFJYUQRBD-AEFFLSMTSA-N 1 0 383.448 3.000 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000267408372 1434429905 /nfs/dbraw/zinc/42/99/05/1434429905.db2.gz HNANDLMOLUOOFD-KGLIPLIRSA-N 1 0 377.466 3.257 20 5 GGBDRO Cc1ccc([C@@H](C)NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000267731881 1434459274 /nfs/dbraw/zinc/45/92/74/1434459274.db2.gz NFEPLGKZEZXZIT-MRXNPFEDSA-N 1 0 397.479 3.323 20 5 GGBDRO COc1cc(C[NH2+]CCc2ccncc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000268623468 1434541103 /nfs/dbraw/zinc/54/11/03/1434541103.db2.gz BXMZIWKZCJQTSS-UHFFFAOYSA-N 1 0 385.342 3.272 20 5 GGBDRO COc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)cc1[N+](=O)[O-] ZINC000268808000 1434559922 /nfs/dbraw/zinc/55/99/22/1434559922.db2.gz IIQQZNNTGZWUFZ-NSHDSACASA-N 1 0 378.816 3.159 20 5 GGBDRO CC[C@H]([NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000268828085 1434561974 /nfs/dbraw/zinc/56/19/74/1434561974.db2.gz QDNHLYTWNCSDKF-NRFANRHFSA-N 1 0 396.491 3.223 20 5 GGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1[N+](=O)[O-] ZINC000268829422 1434562167 /nfs/dbraw/zinc/56/21/67/1434562167.db2.gz QGZWQNGVPYWUFJ-QGZVFWFLSA-N 1 0 396.491 3.142 20 5 GGBDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000268920945 1434571289 /nfs/dbraw/zinc/57/12/89/1434571289.db2.gz URFOSIHMKBOETN-KUHUBIRLSA-N 1 0 380.448 3.392 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000269003555 1434580536 /nfs/dbraw/zinc/58/05/36/1434580536.db2.gz VKDYCZLCNTZMQR-AEFFLSMTSA-N 1 0 382.464 3.034 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000269003558 1434580549 /nfs/dbraw/zinc/58/05/49/1434580549.db2.gz VKDYCZLCNTZMQR-WMZOPIPTSA-N 1 0 382.464 3.034 20 5 GGBDRO COc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)cn2)cc1[N+](=O)[O-] ZINC000269156604 1434599007 /nfs/dbraw/zinc/59/90/07/1434599007.db2.gz RYIRWWAMTGCCBM-UHFFFAOYSA-N 1 0 385.468 3.141 20 5 GGBDRO C[C@@H](NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000269199414 1434605946 /nfs/dbraw/zinc/60/59/46/1434605946.db2.gz MHBZICLURPNYNK-HLLBOEOZSA-N 1 0 397.479 3.281 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000269243300 1434612991 /nfs/dbraw/zinc/61/29/91/1434612991.db2.gz DCZIKSKBLQVCER-ZVZYQTTQSA-N 1 0 397.479 3.410 20 5 GGBDRO CC(C)c1n[nH]c(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000269337602 1434626967 /nfs/dbraw/zinc/62/69/67/1434626967.db2.gz GXQSPHCHAJNZBT-UHFFFAOYSA-N 1 0 385.468 3.083 20 5 GGBDRO CC(C)c1[nH]nc(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000269340736 1434627712 /nfs/dbraw/zinc/62/77/12/1434627712.db2.gz HOLKPOGTDDQTLJ-UHFFFAOYSA-N 1 0 375.429 3.024 20 5 GGBDRO CC(C)[NH+]1CCC(N2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)CC1 ZINC000269357700 1434630229 /nfs/dbraw/zinc/63/02/29/1434630229.db2.gz URNSFCVUMUXWKQ-UHFFFAOYSA-N 1 0 383.496 3.138 20 5 GGBDRO CC(C)c1n[nH]c(C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000269393437 1434636853 /nfs/dbraw/zinc/63/68/53/1434636853.db2.gz MJGRHJDDPOVBPB-UHFFFAOYSA-N 1 0 399.495 3.426 20 5 GGBDRO CC(C)c1n[nH]c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000269419608 1434642463 /nfs/dbraw/zinc/64/24/63/1434642463.db2.gz XDDSJQLJEJFBRT-LBPRGKRZSA-N 1 0 377.470 3.070 20 5 GGBDRO CC(C)c1[nH]nc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1[N+](=O)[O-] ZINC000269436865 1434645859 /nfs/dbraw/zinc/64/58/59/1434645859.db2.gz OPZQJYLKGASOIE-UHFFFAOYSA-N 1 0 389.481 3.242 20 5 GGBDRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)nc2)C1 ZINC000269440671 1434646345 /nfs/dbraw/zinc/64/63/45/1434646345.db2.gz QKIVTJIGSULJCF-MRXNPFEDSA-N 1 0 395.419 3.129 20 5 GGBDRO CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000269456171 1434648616 /nfs/dbraw/zinc/64/86/16/1434648616.db2.gz HARBAGRSRYXTBD-GDBMZVCRSA-N 1 0 385.468 3.082 20 5 GGBDRO CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000269456174 1434648664 /nfs/dbraw/zinc/64/86/64/1434648664.db2.gz HARBAGRSRYXTBD-GOEBONIOSA-N 1 0 385.468 3.082 20 5 GGBDRO CC(C)c1n[nH]c(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000269458549 1434649122 /nfs/dbraw/zinc/64/91/22/1434649122.db2.gz SCFQZGNNYVODKJ-CYBMUJFWSA-N 1 0 391.497 3.145 20 5 GGBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000269461808 1434649404 /nfs/dbraw/zinc/64/94/04/1434649404.db2.gz YEGGXRAOBRRVMK-PBHICJAKSA-N 1 0 386.452 3.005 20 5 GGBDRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])nc2)C1 ZINC000269466516 1434650092 /nfs/dbraw/zinc/65/00/92/1434650092.db2.gz XPALHRUFJVISMH-CYBMUJFWSA-N 1 0 389.843 3.036 20 5 GGBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269472720 1434650814 /nfs/dbraw/zinc/65/08/14/1434650814.db2.gz JCFMLQCVWWHLHM-QGZVFWFLSA-N 1 0 399.495 3.426 20 5 GGBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000269587805 1434661557 /nfs/dbraw/zinc/66/15/57/1434661557.db2.gz BYHMSMNHYHFFIY-INIZCTEOSA-N 1 0 397.479 3.057 20 5 GGBDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000270111331 1434704186 /nfs/dbraw/zinc/70/41/86/1434704186.db2.gz DGTVIRPTDRYBPL-KRWDZBQOSA-N 1 0 393.447 3.016 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000270787979 1434774877 /nfs/dbraw/zinc/77/48/77/1434774877.db2.gz AFVBMVGQYRODCF-HNNXBMFYSA-N 1 0 383.514 3.039 20 5 GGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCOC)C1 ZINC000270833798 1434779764 /nfs/dbraw/zinc/77/97/64/1434779764.db2.gz SSAFIFKKAMVANV-HNNXBMFYSA-N 1 0 395.525 3.137 20 5 GGBDRO C[NH+](C)CCCC1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000271017022 1434796016 /nfs/dbraw/zinc/79/60/16/1434796016.db2.gz YQYYLEBRVLQUJY-UHFFFAOYSA-N 1 0 376.457 3.110 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000271035997 1434797670 /nfs/dbraw/zinc/79/76/70/1434797670.db2.gz PYSMADKGLLTHBI-UHFFFAOYSA-N 1 0 395.525 3.137 20 5 GGBDRO C[NH2+]CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)CC1 ZINC000271194712 1434807463 /nfs/dbraw/zinc/80/74/63/1434807463.db2.gz ALSGTTHXRAKPCX-UHFFFAOYSA-N 1 0 388.512 3.293 20 5 GGBDRO COc1cc(C[NH2+]C[C@@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000271337292 1434817171 /nfs/dbraw/zinc/81/71/71/1434817171.db2.gz GGLXFFDTASJHMI-NWDGAFQWSA-N 1 0 392.374 3.449 20 5 GGBDRO COc1cc(C[NH2+]C[C@H]2CCO[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000271337290 1434817228 /nfs/dbraw/zinc/81/72/28/1434817228.db2.gz GGLXFFDTASJHMI-NEPJUHHUSA-N 1 0 392.374 3.449 20 5 GGBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000271346240 1434817980 /nfs/dbraw/zinc/81/79/80/1434817980.db2.gz CJEISEYKTNLZDX-UHFFFAOYSA-N 1 0 399.495 3.403 20 5 GGBDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000271455597 1434826215 /nfs/dbraw/zinc/82/62/15/1434826215.db2.gz JAUJWYCAQIXPEU-CQSZACIVSA-N 1 0 378.450 3.118 20 5 GGBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(N2CCOC2=O)c1 ZINC000271640193 1434841139 /nfs/dbraw/zinc/84/11/39/1434841139.db2.gz ARRMPQCDKJKOQT-AWEZNQCLSA-N 1 0 398.419 3.231 20 5 GGBDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000271690409 1434844549 /nfs/dbraw/zinc/84/45/49/1434844549.db2.gz OERXYTAMRZOJPE-UHFFFAOYSA-N 1 0 379.420 3.118 20 5 GGBDRO CNC(=O)c1ccc(Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)c([N+](=O)[O-])c1 ZINC000271707177 1434845311 /nfs/dbraw/zinc/84/53/11/1434845311.db2.gz OQCFOTGWTLDQQD-UHFFFAOYSA-N 1 0 397.479 3.228 20 5 GGBDRO Cc1c(NC(=O)CC[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000271785862 1434850395 /nfs/dbraw/zinc/85/03/95/1434850395.db2.gz HSQJPKULECSHQB-LOKFHWFJSA-N 1 0 389.477 3.320 20 5 GGBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000271785867 1434850488 /nfs/dbraw/zinc/85/04/88/1434850488.db2.gz HSQJPKULECSHQB-PWFNWSNSSA-N 1 0 389.477 3.320 20 5 GGBDRO Cc1c(NC(=O)CC[NH2+][C@H](C)c2ccc3c(c2)CC(=O)N3C)cccc1[N+](=O)[O-] ZINC000271799458 1434851356 /nfs/dbraw/zinc/85/13/56/1434851356.db2.gz JRBDDBCFGMZFEU-CQSZACIVSA-N 1 0 396.447 3.102 20 5 GGBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000271799052 1434851392 /nfs/dbraw/zinc/85/13/92/1434851392.db2.gz KVNVGEUWXRSHDC-SRGMZFCMSA-N 1 0 375.450 3.012 20 5 GGBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC000271799058 1434851393 /nfs/dbraw/zinc/85/13/93/1434851393.db2.gz KVNVGEUWXRSHDC-ZBSNKRKSSA-N 1 0 375.450 3.012 20 5 GGBDRO C[C@H]([NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000271821359 1434852598 /nfs/dbraw/zinc/85/25/98/1434852598.db2.gz PEAWVZYPBMLFPA-VXLFJPSPSA-N 1 0 375.450 3.010 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000271865594 1434855743 /nfs/dbraw/zinc/85/57/43/1434855743.db2.gz UZONHWVWUVIEMU-CQSZACIVSA-N 1 0 396.447 3.102 20 5 GGBDRO CCC[C@H]([NH2+]C[C@](O)(c1nccn1C)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000272000569 1434864874 /nfs/dbraw/zinc/86/48/74/1434864874.db2.gz AHRBNAUHWQGPHF-HOCLYGCPSA-N 1 0 386.374 3.209 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N3CC[C@H]([C@@H](C)[NH3+])C3)cc2[N+](=O)[O-])n1 ZINC000272197301 1434877474 /nfs/dbraw/zinc/87/74/74/1434877474.db2.gz GAYKUYCEDHALCZ-YPMHNXCESA-N 1 0 392.506 3.320 20 5 GGBDRO CC(C)c1n[nH]c(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000272214193 1434878580 /nfs/dbraw/zinc/87/85/80/1434878580.db2.gz AUBWZKUYMPIDPR-GOEBONIOSA-N 1 0 385.468 3.082 20 5 GGBDRO Cc1nn(C)c(C(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000272269785 1434882960 /nfs/dbraw/zinc/88/29/60/1434882960.db2.gz RQNQSYDDIOPSDN-PBHICJAKSA-N 1 0 387.484 3.132 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272363794 1434890564 /nfs/dbraw/zinc/89/05/64/1434890564.db2.gz SMYSYRBZAQFZAB-NVXWUHKLSA-N 1 0 383.448 3.244 20 5 GGBDRO COc1cc(C[NH2+]CCCc2c[nH]nc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272397230 1434893770 /nfs/dbraw/zinc/89/37/70/1434893770.db2.gz JNFWWWOWJKBVOT-UHFFFAOYSA-N 1 0 384.383 3.001 20 5 GGBDRO COc1cc(C[NH2+][C@H]2CCOC3(CCC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272433975 1434896038 /nfs/dbraw/zinc/89/60/38/1434896038.db2.gz NQIPFKZCRHXYQG-ZDUSSCGKSA-N 1 0 386.395 3.439 20 5 GGBDRO CCC[N@@H+]1CC[C@H](CNCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000272454659 1434897552 /nfs/dbraw/zinc/89/75/52/1434897552.db2.gz QBZGKJSEFDSLNF-CYBMUJFWSA-N 1 0 387.427 3.069 20 5 GGBDRO Cn1ccnc1[C@@H](NC[C@H](c1cccc(F)c1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000272483131 1434899628 /nfs/dbraw/zinc/89/96/28/1434899628.db2.gz CIJRMBLQPWWVKH-UXHICEINSA-N 1 0 397.454 3.449 20 5 GGBDRO Cn1ccnc1[C@H](NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000272509209 1434902049 /nfs/dbraw/zinc/90/20/49/1434902049.db2.gz IRZKZFGTGBGECK-WOJBJXKFSA-N 1 0 397.454 3.449 20 5 GGBDRO Cn1ccnc1[C@@H](NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000272509202 1434902169 /nfs/dbraw/zinc/90/21/69/1434902169.db2.gz IRZKZFGTGBGECK-PMACEKPBSA-N 1 0 397.454 3.449 20 5 GGBDRO Cn1ccnc1[C@H](NC1CC[NH+](C2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272514122 1434902800 /nfs/dbraw/zinc/90/28/00/1434902800.db2.gz JSRBWTLBSJVRSN-HXUWFJFHSA-N 1 0 383.496 3.414 20 5 GGBDRO COc1cc(CNC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272523961 1434904010 /nfs/dbraw/zinc/90/40/10/1434904010.db2.gz YOZIAHBYNVRMCG-UHFFFAOYSA-N 1 0 399.438 3.211 20 5 GGBDRO Cn1ccnc1[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272575043 1434909614 /nfs/dbraw/zinc/90/96/14/1434909614.db2.gz WXTBKAICAVWYNQ-PZJWPPBQSA-N 1 0 391.475 3.282 20 5 GGBDRO COc1cc(C[N@H+](C)CCCn2ccnc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272590305 1434911522 /nfs/dbraw/zinc/91/15/22/1434911522.db2.gz MRZCSCJLNTUKHP-UHFFFAOYSA-N 1 0 398.410 3.274 20 5 GGBDRO C[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272651365 1434919859 /nfs/dbraw/zinc/91/98/59/1434919859.db2.gz FDABZNBNQZCDRP-RDJZCZTQSA-N 1 0 384.480 3.319 20 5 GGBDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3c(N)cccc3[N+](=O)[O-])cc2)C1 ZINC000272696598 1434923889 /nfs/dbraw/zinc/92/38/89/1434923889.db2.gz VHSKGEQXTOCLNG-CQSZACIVSA-N 1 0 384.436 3.150 20 5 GGBDRO COc1ccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000272782500 1434930814 /nfs/dbraw/zinc/93/08/14/1434930814.db2.gz FDIFTNLISTVHLO-KBPBESRZSA-N 1 0 376.457 3.378 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)NCC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000273026428 1434951924 /nfs/dbraw/zinc/95/19/24/1434951924.db2.gz RHWYYVGVZNPDPX-OAHLLOKOSA-N 1 0 397.479 3.282 20 5 GGBDRO CC(C)N1CC[NH+](C2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000273054742 1434955666 /nfs/dbraw/zinc/95/56/66/1434955666.db2.gz ZCFQLLJDJPCVMA-UHFFFAOYSA-N 1 0 380.920 3.239 20 5 GGBDRO COc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1OC ZINC000273123426 1434964017 /nfs/dbraw/zinc/96/40/17/1434964017.db2.gz HSLJOXFFXMQTSH-LSDHHAIUSA-N 1 0 390.436 3.011 20 5 GGBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000273388862 1434985544 /nfs/dbraw/zinc/98/55/44/1434985544.db2.gz CVGHITDIHXBGOY-ZDUSSCGKSA-N 1 0 382.892 3.162 20 5 GGBDRO C[NH+](C)CCOc1ccccc1-c1noc(COc2cccc([N+](=O)[O-])c2)n1 ZINC000273744963 1435010175 /nfs/dbraw/zinc/01/01/75/1435010175.db2.gz BPAQOJUNZKTSMH-UHFFFAOYSA-N 1 0 384.392 3.164 20 5 GGBDRO C[NH+](C)CCOc1ccccc1-c1noc(CNc2ccccc2[N+](=O)[O-])n1 ZINC000273852100 1435021596 /nfs/dbraw/zinc/02/15/96/1435021596.db2.gz LJVUKLOBHUSCEY-UHFFFAOYSA-N 1 0 383.408 3.197 20 5 GGBDRO CC(C)OCC[NH+]1CCC(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273854747 1435022080 /nfs/dbraw/zinc/02/20/80/1435022080.db2.gz MPLFVGUYNHYUFY-UHFFFAOYSA-N 1 0 395.475 3.017 20 5 GGBDRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000273909223 1435027578 /nfs/dbraw/zinc/02/75/78/1435027578.db2.gz GXJUHZJKMULBQG-UHFFFAOYSA-N 1 0 389.402 3.310 20 5 GGBDRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3cc(F)c([N+](=O)[O-])cc3F)cc2)CC1 ZINC000273945983 1435030935 /nfs/dbraw/zinc/03/09/35/1435030935.db2.gz NGKBBOBVSQLZBL-UHFFFAOYSA-N 1 0 390.390 3.267 20 5 GGBDRO O=[N+]([O-])c1cc(-c2nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)cc(C(F)(F)F)c1 ZINC000274084287 1435042312 /nfs/dbraw/zinc/04/23/12/1435042312.db2.gz TVLLVKQASNHFOB-DGCLKSJQSA-N 1 0 384.314 3.199 20 5 GGBDRO O=[N+]([O-])c1cc(-c2nc([C@H]3C[N@@H+]4CCC[C@H]4CO3)no2)cc(C(F)(F)F)c1 ZINC000274084291 1435042318 /nfs/dbraw/zinc/04/23/18/1435042318.db2.gz TVLLVKQASNHFOB-WCQYABFASA-N 1 0 384.314 3.199 20 5 GGBDRO COc1cc(C[NH2+][C@H]2CCO[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000274296536 1435058986 /nfs/dbraw/zinc/05/89/86/1435058986.db2.gz RGKNPDZDNMFSLT-DZGCQCFKSA-N 1 0 386.395 3.295 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000274801310 1435093746 /nfs/dbraw/zinc/09/37/46/1435093746.db2.gz FKGQPWFRXKJNMU-DYESRHJHSA-N 1 0 396.491 3.058 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000274801317 1435093772 /nfs/dbraw/zinc/09/37/72/1435093772.db2.gz FKGQPWFRXKJNMU-UTKZUKDTSA-N 1 0 396.491 3.058 20 5 GGBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(c3nnc4n3CCCC4)CC2)cc1 ZINC000274996213 1435108493 /nfs/dbraw/zinc/10/84/93/1435108493.db2.gz OWWCWQWIZXZMTK-UHFFFAOYSA-N 1 0 385.468 3.171 20 5 GGBDRO CC(C)(C)OC(=O)C1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000275513143 1435144637 /nfs/dbraw/zinc/14/46/37/1435144637.db2.gz TZMJJTJRJMSSQP-UHFFFAOYSA-N 1 0 395.431 3.116 20 5 GGBDRO C[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccc([S@@](C)=O)cc1 ZINC000275628279 1435154132 /nfs/dbraw/zinc/15/41/32/1435154132.db2.gz PRLNDIXXSIWLOV-KHXSAUHESA-N 1 0 393.440 3.151 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2CC[NH+](C)C)cc1OC ZINC000275649419 1435156369 /nfs/dbraw/zinc/15/63/69/1435156369.db2.gz PFECDGANOOQFMA-UHFFFAOYSA-N 1 0 387.436 3.359 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CCn1cncn1)c1ccc(C)cc1 ZINC000275665651 1435158031 /nfs/dbraw/zinc/15/80/31/1435158031.db2.gz BWNNQORQYMYAOU-IBGZPJMESA-N 1 0 381.436 3.425 20 5 GGBDRO COCCOCCOCC[N@H+](C)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000276273934 1435201497 /nfs/dbraw/zinc/20/14/97/1435201497.db2.gz QNOFAIMOOYXINA-UHFFFAOYSA-N 1 0 385.460 3.058 20 5 GGBDRO CC(C)(CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C[NH+]1CCCC1 ZINC000276753472 1435230013 /nfs/dbraw/zinc/23/00/13/1435230013.db2.gz QFFNCRBTYYUGAW-UHFFFAOYSA-N 1 0 388.512 3.049 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276892105 1435240589 /nfs/dbraw/zinc/24/05/89/1435240589.db2.gz CKPDQEFECCTEJC-KRWDZBQOSA-N 1 0 383.448 3.198 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276892108 1435240628 /nfs/dbraw/zinc/24/06/28/1435240628.db2.gz CKPDQEFECCTEJC-QGZVFWFLSA-N 1 0 383.448 3.198 20 5 GGBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)ccc1[N+](=O)[O-] ZINC000276931041 1435244272 /nfs/dbraw/zinc/24/42/72/1435244272.db2.gz QTNJFLWSIBGWLK-MRXNPFEDSA-N 1 0 381.436 3.416 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000276977405 1435249020 /nfs/dbraw/zinc/24/90/20/1435249020.db2.gz AYFNGVJXJFWPQF-UHFFFAOYSA-N 1 0 395.459 3.266 20 5 GGBDRO COc1cc(C(=O)N2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)cc([N+](=O)[O-])c1C ZINC000277038072 1435254955 /nfs/dbraw/zinc/25/49/55/1435254955.db2.gz LUYPKTGMSKSCKV-MRXNPFEDSA-N 1 0 398.463 3.383 20 5 GGBDRO COc1cc(CN2CCC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000277103491 1435262100 /nfs/dbraw/zinc/26/21/00/1435262100.db2.gz GRHSJTXRUDKYSC-AWEZNQCLSA-N 1 0 387.427 3.163 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C1CCN(c2cccnn2)CC1 ZINC000277186602 1435275848 /nfs/dbraw/zinc/27/58/48/1435275848.db2.gz UKGAIQTVGQWQAX-LPHOPBHVSA-N 1 0 381.480 3.355 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]C1CCN(c2cccnn2)CC1 ZINC000277186607 1435275941 /nfs/dbraw/zinc/27/59/41/1435275941.db2.gz UKGAIQTVGQWQAX-VQIMIIECSA-N 1 0 381.480 3.355 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C1CCN(c2cccnn2)CC1 ZINC000277186604 1435276001 /nfs/dbraw/zinc/27/60/01/1435276001.db2.gz UKGAIQTVGQWQAX-QFBILLFUSA-N 1 0 381.480 3.355 20 5 GGBDRO Cc1noc(C[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 ZINC000277229710 1435281779 /nfs/dbraw/zinc/28/17/79/1435281779.db2.gz GPHSVRBTMXWJGP-SCLBCKFNSA-N 1 0 395.419 3.187 20 5 GGBDRO O=C(CC[NH+]1CCC(Oc2ncccc2F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000278060882 1435355155 /nfs/dbraw/zinc/35/51/55/1435355155.db2.gz FJKPLLUIDXSVHD-UHFFFAOYSA-N 1 0 388.399 3.001 20 5 GGBDRO O=C(c1cccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1)N1CCOCC1 ZINC000278175680 1435366497 /nfs/dbraw/zinc/36/64/97/1435366497.db2.gz CWXMSPCRHWTQJN-NRFANRHFSA-N 1 0 395.459 3.234 20 5 GGBDRO Cn1cc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000278342379 1435381809 /nfs/dbraw/zinc/38/18/09/1435381809.db2.gz HTTLVPRSEUDECH-SUMWQHHRSA-N 1 0 398.385 3.131 20 5 GGBDRO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000278520011 1435396854 /nfs/dbraw/zinc/39/68/54/1435396854.db2.gz SILUQLRKLCLEQU-SNVBAGLBSA-N 1 0 378.301 3.094 20 5 GGBDRO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000278520007 1435396903 /nfs/dbraw/zinc/39/69/03/1435396903.db2.gz SILUQLRKLCLEQU-JTQLQIEISA-N 1 0 378.301 3.094 20 5 GGBDRO COCC[NH+]1CCC(Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278522983 1435397084 /nfs/dbraw/zinc/39/70/84/1435397084.db2.gz SOXFIJXBVICKNP-UHFFFAOYSA-N 1 0 398.332 3.167 20 5 GGBDRO CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000278725403 1435417520 /nfs/dbraw/zinc/41/75/20/1435417520.db2.gz MJZGXGQTDCZLFP-SFHVURJKSA-N 1 0 395.525 3.155 20 5 GGBDRO CC(C)c1ccc(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000278833965 1435428728 /nfs/dbraw/zinc/42/87/28/1435428728.db2.gz JZFHSQKUYSCUOE-HNNXBMFYSA-N 1 0 375.469 3.044 20 5 GGBDRO O=C1[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCN1Cc1ccccn1 ZINC000278863155 1435432518 /nfs/dbraw/zinc/43/25/18/1435432518.db2.gz WLPBXHLBNVSPDV-WOJBJXKFSA-N 1 0 380.448 3.148 20 5 GGBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)c1 ZINC000278906935 1435438360 /nfs/dbraw/zinc/43/83/60/1435438360.db2.gz SIAPWPLQHFGLJX-UHFFFAOYSA-N 1 0 392.459 3.442 20 5 GGBDRO CC1(C)C[C@@H]([NH2+]Cc2cccnc2N2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000279102382 1435460451 /nfs/dbraw/zinc/46/04/51/1435460451.db2.gz OJVCZXZPSZIDOL-LJQANCHMSA-N 1 0 382.464 3.339 20 5 GGBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000279248160 1435476861 /nfs/dbraw/zinc/47/68/61/1435476861.db2.gz RIHGZXVMMDJMED-UHFFFAOYSA-N 1 0 392.456 3.020 20 5 GGBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC1CC[NH+](C2CCCC2)CC1 ZINC000279319028 1435485950 /nfs/dbraw/zinc/48/59/50/1435485950.db2.gz PCIMKTPKBLMFAU-UHFFFAOYSA-N 1 0 383.851 3.453 20 5 GGBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000279744708 1435537538 /nfs/dbraw/zinc/53/75/38/1435537538.db2.gz PKJUHGCQJPVJRD-UHFFFAOYSA-N 1 0 398.463 3.306 20 5 GGBDRO C[C@H]1OCC[C@@]12C[N@H+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)C[C@@H](C)O2 ZINC000279787399 1435543244 /nfs/dbraw/zinc/54/32/44/1435543244.db2.gz OALHQKCJIIKVJM-STXHMFSFSA-N 1 0 387.436 3.061 20 5 GGBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000279998048 1435574483 /nfs/dbraw/zinc/57/44/83/1435574483.db2.gz KXVYOWYZRBBISG-CABCVRRESA-N 1 0 375.469 3.376 20 5 GGBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000280219195 1435611337 /nfs/dbraw/zinc/61/13/37/1435611337.db2.gz QTYCVVSROQUJIR-AWEZNQCLSA-N 1 0 383.851 3.407 20 5 GGBDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000280267373 1435621565 /nfs/dbraw/zinc/62/15/65/1435621565.db2.gz ZKYHSVTUVCKPNJ-UHFFFAOYSA-N 1 0 397.479 3.207 20 5 GGBDRO CC1(C)C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@]2(CCOC2)O1 ZINC000280524075 1435673298 /nfs/dbraw/zinc/67/32/98/1435673298.db2.gz OKWFRNSBUOENPZ-HXUWFJFHSA-N 1 0 387.436 3.062 20 5 GGBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000280761479 1435715824 /nfs/dbraw/zinc/71/58/24/1435715824.db2.gz BAFKDJCCIPOVPD-SFHVURJKSA-N 1 0 397.475 3.288 20 5 GGBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000280761476 1435716103 /nfs/dbraw/zinc/71/61/03/1435716103.db2.gz BAFKDJCCIPOVPD-GOSISDBHSA-N 1 0 397.475 3.288 20 5 GGBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](c2cccs2)[NH+]2CCCC2)n1 ZINC000280960721 1435747873 /nfs/dbraw/zinc/74/78/73/1435747873.db2.gz KVHSASVSEXIWPJ-CQSZACIVSA-N 1 0 376.438 3.087 20 5 GGBDRO COc1cc(C[N@@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000281083817 1435770850 /nfs/dbraw/zinc/77/08/50/1435770850.db2.gz JNTOCGSIHRSEQK-HNNXBMFYSA-N 1 0 399.447 3.097 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000281083708 1435771054 /nfs/dbraw/zinc/77/10/54/1435771054.db2.gz GHHAKKCONLLMIN-UHFFFAOYSA-N 1 0 375.469 3.149 20 5 GGBDRO COc1cc(C(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000281098354 1435773434 /nfs/dbraw/zinc/77/34/34/1435773434.db2.gz TWAFLMJFBNTXKH-SJLPKXTDSA-N 1 0 381.432 3.360 20 5 GGBDRO Cc1cc(OCC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000281115142 1435777388 /nfs/dbraw/zinc/77/73/88/1435777388.db2.gz NNJHDFDCQNGWEH-CVEARBPZSA-N 1 0 375.469 3.051 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)NC2(C[NH+](C)C)CCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000281161715 1435786931 /nfs/dbraw/zinc/78/69/31/1435786931.db2.gz WVPXEMUUPLFAMF-HNNXBMFYSA-N 1 0 397.479 3.377 20 5 GGBDRO O=c1[nH]c(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)nc2ccc([N+](=O)[O-])cc21 ZINC000281242077 1435800437 /nfs/dbraw/zinc/80/04/37/1435800437.db2.gz TXWUTQHJOKTXPY-INIZCTEOSA-N 1 0 393.447 3.220 20 5 GGBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000281561037 1435813496 /nfs/dbraw/zinc/81/34/96/1435813496.db2.gz YFANBBRJZMLRNU-BTWZCHHXSA-N 1 0 375.469 3.183 20 5 GGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000281561045 1435813583 /nfs/dbraw/zinc/81/35/83/1435813583.db2.gz YFANBBRJZMLRNU-JBFGMIDGSA-N 1 0 375.469 3.183 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N2CCC[C@@H](CC[NH3+])C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000281873674 1435825028 /nfs/dbraw/zinc/82/50/28/1435825028.db2.gz FMGSRYABRVIYQE-HOTGVXAUSA-N 1 0 397.479 3.364 20 5 GGBDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000282402399 1435845882 /nfs/dbraw/zinc/84/58/82/1435845882.db2.gz FKOFHKAJJCKTQZ-SJORKVTESA-N 1 0 393.484 3.253 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000282747597 1435858818 /nfs/dbraw/zinc/85/88/18/1435858818.db2.gz BTFCGGOSJLDQMP-SFHVURJKSA-N 1 0 375.400 3.165 20 5 GGBDRO CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000282817757 1435861457 /nfs/dbraw/zinc/86/14/57/1435861457.db2.gz ALVWFJOBLPNLBX-UHFFFAOYSA-N 1 0 386.500 3.476 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000282995886 1435869427 /nfs/dbraw/zinc/86/94/27/1435869427.db2.gz COVDBTZTPAQYCN-LSDHHAIUSA-N 1 0 375.469 3.376 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000282995875 1435869441 /nfs/dbraw/zinc/86/94/41/1435869441.db2.gz COVDBTZTPAQYCN-GJZGRUSLSA-N 1 0 375.469 3.376 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000283026663 1435871089 /nfs/dbraw/zinc/87/10/89/1435871089.db2.gz PXCKOSIIMZVNLC-QGZVFWFLSA-N 1 0 384.436 3.390 20 5 GGBDRO CC(C)c1n[nH]c(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000283087723 1435873789 /nfs/dbraw/zinc/87/37/89/1435873789.db2.gz YSQODJGMGOXVBY-ZDUSSCGKSA-N 1 0 379.848 3.127 20 5 GGBDRO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283270085 1435882234 /nfs/dbraw/zinc/88/22/34/1435882234.db2.gz LEWKFLZHYJONKL-LOKFHWFJSA-N 1 0 389.477 3.354 20 5 GGBDRO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283270091 1435882252 /nfs/dbraw/zinc/88/22/52/1435882252.db2.gz LEWKFLZHYJONKL-PWFNWSNSSA-N 1 0 389.477 3.354 20 5 GGBDRO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283270082 1435882260 /nfs/dbraw/zinc/88/22/60/1435882260.db2.gz LEWKFLZHYJONKL-ASHKIFAZSA-N 1 0 389.477 3.354 20 5 GGBDRO CC(=O)c1cc(NCc2ccccc2C[NH+]2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000283733884 1435912785 /nfs/dbraw/zinc/91/27/85/1435912785.db2.gz IDGOPUZQRPDWKD-UHFFFAOYSA-N 1 0 383.448 3.366 20 5 GGBDRO CC(=O)c1cc(NCc2cccc(OCCN3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000283788086 1435923537 /nfs/dbraw/zinc/92/35/37/1435923537.db2.gz RKUXYIDMZHEYQW-UHFFFAOYSA-N 1 0 399.447 3.121 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000283890881 1435945682 /nfs/dbraw/zinc/94/56/82/1435945682.db2.gz IUPHKLVLIHQNRF-ZIAGYGMSSA-N 1 0 378.448 3.043 20 5 GGBDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284252081 1436007292 /nfs/dbraw/zinc/00/72/92/1436007292.db2.gz RIGZZQGJKUWOKF-STQMWFEESA-N 1 0 377.466 3.382 20 5 GGBDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284252068 1436007347 /nfs/dbraw/zinc/00/73/47/1436007347.db2.gz RIGZZQGJKUWOKF-OLZOCXBDSA-N 1 0 377.466 3.382 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000284298712 1436010913 /nfs/dbraw/zinc/01/09/13/1436010913.db2.gz GOHCRCMJDYSBCF-AWEZNQCLSA-N 1 0 392.475 3.433 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000284389377 1436018163 /nfs/dbraw/zinc/01/81/63/1436018163.db2.gz MQAGPBXPDPAKLW-OAHLLOKOSA-N 1 0 398.463 3.344 20 5 GGBDRO COc1ccc(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1[N+](=O)[O-] ZINC000284400267 1436018862 /nfs/dbraw/zinc/01/88/62/1436018862.db2.gz HHAJSKDLWUJIHZ-UHFFFAOYSA-N 1 0 399.447 3.006 20 5 GGBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000284403576 1436019175 /nfs/dbraw/zinc/01/91/75/1436019175.db2.gz NMDYBZKQIZQZOP-UHFFFAOYSA-N 1 0 378.448 3.044 20 5 GGBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000284489036 1436025504 /nfs/dbraw/zinc/02/55/04/1436025504.db2.gz VENBMFWCSKZZGP-HXUWFJFHSA-N 1 0 396.447 3.046 20 5 GGBDRO CN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000284519719 1436027726 /nfs/dbraw/zinc/02/77/26/1436027726.db2.gz WDBXUBLGKIUKNW-OAHLLOKOSA-N 1 0 386.427 3.053 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000284719389 1436043046 /nfs/dbraw/zinc/04/30/46/1436043046.db2.gz JHONHEHATTTWPC-HXUWFJFHSA-N 1 0 396.491 3.091 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000284739441 1436045037 /nfs/dbraw/zinc/04/50/37/1436045037.db2.gz BDFXYTAWINIVBQ-UHFFFAOYSA-N 1 0 383.448 3.306 20 5 GGBDRO O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CC[C@H]3[NH2+]CC[C@H]32)c(Cl)nn1 ZINC001164411994 718877580 /nfs/dbraw/zinc/87/75/80/718877580.db2.gz SQARHMMTHOPZDE-IUODEOHRSA-N 1 0 395.797 3.191 20 5 GGBDRO [NH3+][C@@]12C[C@@H]1CCN(C(F)(F)c1cc(-c3cccc([N+](=O)[O-])c3)nnc1Cl)C2 ZINC001164420286 718897298 /nfs/dbraw/zinc/89/72/98/718897298.db2.gz KZGROTOIIQHVIE-MEDUHNTESA-N 1 0 395.797 3.178 20 5 GGBDRO Cc1nc(Cl)nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC001164628395 719054234 /nfs/dbraw/zinc/05/42/34/719054234.db2.gz YJMDNHAOHVIFOE-HZPDHXFCSA-N 1 0 387.871 3.447 20 5 GGBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164629103 719062767 /nfs/dbraw/zinc/06/27/67/719062767.db2.gz VQCVZRHANGPMEN-HZPDHXFCSA-N 1 0 387.871 3.447 20 5 GGBDRO CCOc1nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ccc1[N+](=O)[O-] ZINC001164631607 719090295 /nfs/dbraw/zinc/09/02/95/719090295.db2.gz YRVBSZSXIAPZAD-HKUYNNGSSA-N 1 0 382.464 3.489 20 5 GGBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164698934 719886836 /nfs/dbraw/zinc/88/68/36/719886836.db2.gz GFUACEHRMJJQHI-UHFFFAOYSA-N 1 0 388.493 3.231 20 5 GGBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)cc(C)c1[N+](=O)[O-])C2 ZINC001164811031 720096536 /nfs/dbraw/zinc/09/65/36/720096536.db2.gz NGDVLZJWGNEEKZ-HNAYVOBHSA-N 1 0 394.903 3.136 20 5 GGBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)c(C)cc1[N+](=O)[O-])C2 ZINC001164809199 720098656 /nfs/dbraw/zinc/09/86/56/720098656.db2.gz IYBMYJQJFIXSRK-DNVCBOLYSA-N 1 0 394.903 3.136 20 5 GGBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc3ccc([N+](=O)[O-])cc3n1)C2 ZINC001164811375 720099290 /nfs/dbraw/zinc/09/92/90/720099290.db2.gz ODJQAXKABPBYLG-AVRDEDQJSA-N 1 0 396.491 3.328 20 5 GGBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc([N+](=O)[O-])c3ccccc31)C2 ZINC001164812511 720106505 /nfs/dbraw/zinc/10/65/05/720106505.db2.gz OYDIIUBWNXPGFX-VGOFRKELSA-N 1 0 396.491 3.328 20 5 GGBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc3cccc([N+](=O)[O-])c3n1)C2 ZINC001164812526 720109594 /nfs/dbraw/zinc/10/95/94/720109594.db2.gz PBPRUDTXPUYGAE-GCJKJVERSA-N 1 0 396.491 3.328 20 5 GGBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3ccccc3cc1[N+](=O)[O-])C2 ZINC001164815845 720142803 /nfs/dbraw/zinc/14/28/03/720142803.db2.gz WKRXWTOFAQXKEB-AVRDEDQJSA-N 1 0 396.491 3.328 20 5 GGBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc3ccc([N+](=O)[O-])cc31)C2 ZINC001164818530 720155685 /nfs/dbraw/zinc/15/56/85/720155685.db2.gz TVJLVKNWLIZETP-GCJKJVERSA-N 1 0 396.491 3.328 20 5 GGBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc3cc([N+](=O)[O-])ccc31)C2 ZINC001164814166 720198937 /nfs/dbraw/zinc/19/89/37/720198937.db2.gz TYIATTGCPQCMGO-PGRDOPGGSA-N 1 0 396.491 3.328 20 5 GGBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c2ccccc21 ZINC001164726973 720374090 /nfs/dbraw/zinc/37/40/90/720374090.db2.gz QAOUONJCMRSQMT-MOPGFXCFSA-N 1 0 375.432 3.391 20 5 GGBDRO O=[N+]([O-])c1cccc2ccc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc21 ZINC001164727772 720376028 /nfs/dbraw/zinc/37/60/28/720376028.db2.gz RJHLVMZPYVMZOB-ZWKOTPCHSA-N 1 0 375.432 3.391 20 5 GGBDRO CC(C)Oc1nc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)ccc1[N+](=O)[O-] ZINC001164729387 720452808 /nfs/dbraw/zinc/45/28/08/720452808.db2.gz HIVLYFZJJWIOTK-DLBZAZTESA-N 1 0 383.452 3.025 20 5 GGBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164724376 720479718 /nfs/dbraw/zinc/47/97/18/720479718.db2.gz FRWFWXZZBKQENO-VQTJNVASSA-N 1 0 375.432 3.391 20 5 GGBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nccc(Cl)c1[N+](=O)[O-])[C@@H]2C ZINC001164853990 720923936 /nfs/dbraw/zinc/92/39/36/720923936.db2.gz DNBLGHYCVYAKMY-GFCCVEGCSA-N 1 0 378.864 3.261 20 5 GGBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cnc3cc([N+](=O)[O-])ccc3n1)[C@H]2C ZINC001164856172 720937231 /nfs/dbraw/zinc/93/72/31/720937231.db2.gz CCSWJOKIELQDOD-AWEZNQCLSA-N 1 0 395.467 3.156 20 5 GGBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc3[nH]cc([N+](=O)[O-])c3n1)[C@H]2C ZINC001164862381 720973625 /nfs/dbraw/zinc/97/36/25/720973625.db2.gz SEMWNOXLCVTDOQ-ZDUSSCGKSA-N 1 0 383.456 3.089 20 5 GGBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncnc3cccc([N+](=O)[O-])c31)[C@H]2C ZINC001164858836 721016774 /nfs/dbraw/zinc/01/67/74/721016774.db2.gz HTCFDEYUOHWQQR-AWEZNQCLSA-N 1 0 395.467 3.156 20 5 GGBDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc([N+](=O)[O-])cc1F)CC2 ZINC001164792956 721493238 /nfs/dbraw/zinc/49/32/38/721493238.db2.gz WGSSFBATKGGVET-UHFFFAOYSA-N 1 0 385.443 3.405 20 5 GGBDRO COc1cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)ncc1[N+](=O)[O-] ZINC001164792294 721494220 /nfs/dbraw/zinc/49/42/20/721494220.db2.gz NEMRPGLOGFQMTB-UHFFFAOYSA-N 1 0 397.479 3.274 20 5 GGBDRO O=[N+]([O-])c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)c1 ZINC001164901068 721511737 /nfs/dbraw/zinc/51/17/37/721511737.db2.gz WHNLTSUTKORLOK-ZBFHGGJFSA-N 1 0 392.818 3.124 20 5 GGBDRO O=[N+]([O-])c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)c1 ZINC001164901067 721511936 /nfs/dbraw/zinc/51/19/36/721511936.db2.gz WHNLTSUTKORLOK-HOCLYGCPSA-N 1 0 392.818 3.124 20 5 GGBDRO O=[N+]([O-])c1cc(Cl)cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164905237 721526635 /nfs/dbraw/zinc/52/66/35/721526635.db2.gz HDNTUIXHYNHLTC-GOEBONIOSA-N 1 0 392.818 3.124 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164909256 721539289 /nfs/dbraw/zinc/53/92/89/721539289.db2.gz RAXGBYJLIRLXNW-SJLPKXTDSA-N 1 0 386.427 3.088 20 5 GGBDRO O=[N+]([O-])c1cccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905502 721693258 /nfs/dbraw/zinc/69/32/58/721693258.db2.gz JOWBPULBEIFZCM-SFHVURJKSA-N 1 0 389.406 3.123 20 5 GGBDRO Cc1cnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001165025027 721801338 /nfs/dbraw/zinc/80/13/38/721801338.db2.gz NECKKPJDXWRPSA-YTQUADARSA-N 1 0 381.480 3.430 20 5 GGBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(F)cc3[N+](=O)[O-])C[C@H]21 ZINC001165025853 721805073 /nfs/dbraw/zinc/80/50/73/721805073.db2.gz POPAOAZGCXDZAE-BMGDILEWSA-N 1 0 385.443 3.261 20 5 GGBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3F)C[C@H]21 ZINC001165026901 721808363 /nfs/dbraw/zinc/80/83/63/721808363.db2.gz SDKGJJOZFQGTSR-LSBZLQRGSA-N 1 0 385.443 3.261 20 5 GGBDRO COc1cnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001165025228 721810308 /nfs/dbraw/zinc/81/03/08/721810308.db2.gz MARZHHPBAHIPAH-ZYSHUDEJSA-N 1 0 397.479 3.130 20 5 GGBDRO COc1cnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001165025225 721810331 /nfs/dbraw/zinc/81/03/31/721810331.db2.gz MARZHHPBAHIPAH-SNRMKQJTSA-N 1 0 397.479 3.130 20 5 GGBDRO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC[NH+](C2CCCC2)CC1 ZINC001165031629 721860106 /nfs/dbraw/zinc/86/01/06/721860106.db2.gz FIYFDGRXCMTGMG-UHFFFAOYSA-N 1 0 379.770 3.122 20 5 GGBDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001164929546 721888637 /nfs/dbraw/zinc/88/86/37/721888637.db2.gz BQMQHYSOYKTWGO-HOTGVXAUSA-N 1 0 389.887 3.011 20 5 GGBDRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001164933314 721888714 /nfs/dbraw/zinc/88/87/14/721888714.db2.gz LZNHAJLRIHGMTR-MSOLQXFVSA-N 1 0 399.470 3.011 20 5 GGBDRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001164933316 721888911 /nfs/dbraw/zinc/88/89/11/721888911.db2.gz LZNHAJLRIHGMTR-ROUUACIJSA-N 1 0 399.470 3.011 20 5 GGBDRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001164933315 721888987 /nfs/dbraw/zinc/88/89/87/721888987.db2.gz LZNHAJLRIHGMTR-QZTJIDSGSA-N 1 0 399.470 3.011 20 5 GGBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cccc([N+](=O)[O-])n4)CC3)C2)cc1 ZINC001164939321 721922606 /nfs/dbraw/zinc/92/26/06/721922606.db2.gz IKYQYFKYDWLZNV-UHFFFAOYSA-N 1 0 382.464 3.170 20 5 GGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)nc1-c1ccc(F)cc1 ZINC000619526964 721925132 /nfs/dbraw/zinc/92/51/32/721925132.db2.gz IVAIOKSCTAOXQP-QGZVFWFLSA-N 1 0 386.427 3.097 20 5 GGBDRO O=[N+]([O-])c1cccc2ccc(N3CC[NH+](CCOc4ccccc4)CC3)nc21 ZINC001165044882 721955696 /nfs/dbraw/zinc/95/56/96/721955696.db2.gz RCMKOYGQAOMHGV-UHFFFAOYSA-N 1 0 378.432 3.344 20 5 GGBDRO COc1cc2ncnc(N3CCCC[C@@H]3CC[NH+]3CCCC3)c2cc1[N+](=O)[O-] ZINC001165049416 721970828 /nfs/dbraw/zinc/97/08/28/721970828.db2.gz SNSBCNJOWMJRNZ-OAHLLOKOSA-N 1 0 385.468 3.391 20 5 GGBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165050088 721973035 /nfs/dbraw/zinc/97/30/35/721973035.db2.gz SZVIBCQJFHAOGD-OAHLLOKOSA-N 1 0 376.457 3.011 20 5 GGBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165050087 721973122 /nfs/dbraw/zinc/97/31/22/721973122.db2.gz SZVIBCQJFHAOGD-HNNXBMFYSA-N 1 0 376.457 3.011 20 5 GGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3ccccn3)CC2)nc1-c1ccccc1 ZINC001165055645 722019676 /nfs/dbraw/zinc/01/96/76/722019676.db2.gz RXFGCAFVEFBEQD-UHFFFAOYSA-N 1 0 389.459 3.417 20 5 GGBDRO O=[N+]([O-])c1c(Cl)ccc2nc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)ccc21 ZINC001164967104 722073183 /nfs/dbraw/zinc/07/31/83/722073183.db2.gz IIKKKLGUEGNGPQ-OKILXGFUSA-N 1 0 388.855 3.096 20 5 GGBDRO COc1cc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)ncc1[N+](=O)[O-] ZINC001164993265 722197567 /nfs/dbraw/zinc/19/75/67/722197567.db2.gz DSARUYFIEHUQPS-FQEVSTJZSA-N 1 0 386.427 3.382 20 5 GGBDRO CCC[C@H]([NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000825242358 947131663 /nfs/dbraw/zinc/13/16/63/947131663.db2.gz PCIVUTJNFXZIAN-KRWDZBQOSA-N 1 0 382.424 3.415 20 5 GGBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2cc(F)c(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001575516980 949223328 /nfs/dbraw/zinc/22/33/28/949223328.db2.gz SHMJSYQTDKGGQX-GXTWGEPZSA-N 1 0 397.414 3.161 20 5 GGBDRO O=C([O-])C[C@H]1CCC[N@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001606094601 973260898 /nfs/dbraw/zinc/26/08/98/973260898.db2.gz AGIIZXCFSUXFMW-LJQANCHMSA-N 1 0 389.496 3.036 20 5 GGBDRO C[C@@H]1CC[N@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)[C@@H](C(=O)[O-])C1 ZINC001594419005 999563600 /nfs/dbraw/zinc/56/36/00/999563600.db2.gz MZWVNZAMZFHVBS-OXQOHEQNSA-N 1 0 389.496 3.034 20 5 GGBDRO C[C@H]1CC[N@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)[C@H](C(=O)[O-])C1 ZINC001594419003 999563774 /nfs/dbraw/zinc/56/37/74/999563774.db2.gz MZWVNZAMZFHVBS-JXFKEZNVSA-N 1 0 389.496 3.034 20 5 GGBDRO COc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000609707706 1126100603 /nfs/dbraw/zinc/10/06/03/1126100603.db2.gz UPTXYXSILSLWRO-PBHICJAKSA-N 1 0 384.354 3.228 20 5 GGBDRO COc1cc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000008935821 221064754 /nfs/dbraw/zinc/06/47/54/221064754.db2.gz AMUKDHXQVYEQOH-UHFFFAOYSA-N 1 0 399.447 3.138 20 5 GGBDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000014651461 221314347 /nfs/dbraw/zinc/31/43/47/221314347.db2.gz DUWLINNHJYVGOU-UHFFFAOYSA-N 1 0 395.463 3.269 20 5 GGBDRO CS[C@H]1CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000089314158 222327591 /nfs/dbraw/zinc/32/75/91/222327591.db2.gz QIRNWTDYQGLUQH-MOPGFXCFSA-N 1 0 385.489 3.308 20 5 GGBDRO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1([NH+]2CCOCC2)CCCC1 ZINC000079064588 222302263 /nfs/dbraw/zinc/30/22/63/222302263.db2.gz OXHHZILPMNFPPW-ZDUSSCGKSA-N 1 0 396.875 3.403 20 5 GGBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccc2c(c1)OCO2 ZINC000096012924 222370851 /nfs/dbraw/zinc/37/08/51/222370851.db2.gz ONCMFHBHQYGXRR-UHFFFAOYSA-N 1 0 389.383 3.313 20 5 GGBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000119652766 564281956 /nfs/dbraw/zinc/28/19/56/564281956.db2.gz ZNKHJPXCOYJHNS-NWDGAFQWSA-N 1 0 384.274 3.208 20 5 GGBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000119702753 564283818 /nfs/dbraw/zinc/28/38/18/564283818.db2.gz WWIZOSORXTZUEP-GFCCVEGCSA-N 1 0 384.274 3.065 20 5 GGBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCCC[C@H]1c1ncc[nH]1 ZINC000120294605 564313735 /nfs/dbraw/zinc/31/37/35/564313735.db2.gz FMAFRDWNQMVVEM-ZDUSSCGKSA-N 1 0 379.214 3.448 20 5 GGBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000120933744 564344483 /nfs/dbraw/zinc/34/44/83/564344483.db2.gz POTIUTAZGOAQJZ-CYBMUJFWSA-N 1 0 382.258 3.104 20 5 GGBDRO C[N@@H+](Cc1ccc(Br)cc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026712836 564348663 /nfs/dbraw/zinc/34/86/63/564348663.db2.gz AIVWQZUPCMDUFK-MRXNPFEDSA-N 1 0 395.253 3.229 20 5 GGBDRO Cc1c(Cl)cc(S(=O)(=O)NCC(C)(C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000026885577 564351483 /nfs/dbraw/zinc/35/14/83/564351483.db2.gz JJFFSDMTWFPENR-UHFFFAOYSA-N 1 0 389.905 3.099 20 5 GGBDRO CN1CC[NH+](CC2CCN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000122252140 564405971 /nfs/dbraw/zinc/40/59/71/564405971.db2.gz DGDRXBJEZZCVEC-UHFFFAOYSA-N 1 0 387.311 3.365 20 5 GGBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000122633729 564421073 /nfs/dbraw/zinc/42/10/73/564421073.db2.gz YGGMPORXBVGXCW-LBPRGKRZSA-N 1 0 384.274 3.352 20 5 GGBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000122767978 564426679 /nfs/dbraw/zinc/42/66/79/564426679.db2.gz APNUNXRIHQLYIY-LBPRGKRZSA-N 1 0 384.274 3.161 20 5 GGBDRO Cc1sc(S(=O)(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000124966885 564498970 /nfs/dbraw/zinc/49/89/70/564498970.db2.gz SVHTUMNOVPUXPN-UHFFFAOYSA-N 1 0 387.527 3.040 20 5 GGBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H](CO)c1cccc(Br)c1 ZINC000125544331 564517532 /nfs/dbraw/zinc/51/75/32/564517532.db2.gz VLJOMODSXKTYEC-INIZCTEOSA-N 1 0 395.253 3.402 20 5 GGBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000125811664 564527881 /nfs/dbraw/zinc/52/78/81/564527881.db2.gz RTQDCPMTXPQVNP-CYBMUJFWSA-N 1 0 398.301 3.470 20 5 GGBDRO CSCC[C@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000126313232 564545041 /nfs/dbraw/zinc/54/50/41/564545041.db2.gz KHJODYGSLQVZBB-JTQLQIEISA-N 1 0 390.303 3.369 20 5 GGBDRO Cc1c(Br)cc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000127119872 564574407 /nfs/dbraw/zinc/57/44/07/564574407.db2.gz GXESDTFPXPPGHJ-BXKDBHETSA-N 1 0 382.258 3.021 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000127772628 564595525 /nfs/dbraw/zinc/59/55/25/564595525.db2.gz QIAYVXVQDUBIHB-DOMZBBRYSA-N 1 0 396.285 3.222 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000127914237 564600930 /nfs/dbraw/zinc/60/09/30/564600930.db2.gz PZSBCGUWKPUQTB-DOMZBBRYSA-N 1 0 396.285 3.222 20 5 GGBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000129808004 564660958 /nfs/dbraw/zinc/66/09/58/564660958.db2.gz CINAHKCYQAQUME-ZDUSSCGKSA-N 1 0 398.301 3.136 20 5 GGBDRO Cc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2Br)cc1[N+](=O)[O-] ZINC000130976892 564697354 /nfs/dbraw/zinc/69/73/54/564697354.db2.gz VUSYNXDQRCSDNY-CQSZACIVSA-N 1 0 395.253 3.195 20 5 GGBDRO Cc1ccc(C[NH2+]C[C@H](O)COc2ccccc2Br)cc1[N+](=O)[O-] ZINC000130976688 564697714 /nfs/dbraw/zinc/69/77/14/564697714.db2.gz VUSYNXDQRCSDNY-AWEZNQCLSA-N 1 0 395.253 3.195 20 5 GGBDRO C[C@H](CCS(C)(=O)=O)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000134586473 564808057 /nfs/dbraw/zinc/80/80/57/564808057.db2.gz KXLDDPRFCXWCBZ-LLVKDONJSA-N 1 0 386.857 3.421 20 5 GGBDRO COC[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000069912478 564847399 /nfs/dbraw/zinc/84/73/99/564847399.db2.gz AOOGBZQGFOIHLJ-INIZCTEOSA-N 1 0 399.241 3.104 20 5 GGBDRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1csc([N+](=O)[O-])c1 ZINC000138676580 564866949 /nfs/dbraw/zinc/86/69/49/564866949.db2.gz YNQVFDHDTOGLPN-UHFFFAOYSA-N 1 0 377.491 3.500 20 5 GGBDRO C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[NH2+]1 ZINC000092454984 564877245 /nfs/dbraw/zinc/87/72/45/564877245.db2.gz VIQGLECKGSYBMN-NSHDSACASA-N 1 0 380.242 3.411 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H](CO)C3)o2)c(Br)c1 ZINC000092764002 564881466 /nfs/dbraw/zinc/88/14/66/564881466.db2.gz KCDRFPFKZHUFRL-LLVKDONJSA-N 1 0 381.226 3.432 20 5 GGBDRO CC(C)(C)N(CCS(C)(=O)=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000093815065 564890625 /nfs/dbraw/zinc/89/06/25/564890625.db2.gz GDTAQIPUARICTI-UHFFFAOYSA-N 1 0 393.303 3.002 20 5 GGBDRO CC(C)[N@@H+]1CC[C@H](CNc2ccc(I)cc2[N+](=O)[O-])C1 ZINC000096482954 564902012 /nfs/dbraw/zinc/90/20/12/564902012.db2.gz GQGLFSZDPUOZRI-LLVKDONJSA-N 1 0 389.237 3.342 20 5 GGBDRO C[C@@H]1C[C@H](Nc2ccc(I)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000097635711 564909446 /nfs/dbraw/zinc/90/94/46/564909446.db2.gz IYBHEEIKIATDLX-MWLCHTKSSA-N 1 0 375.210 3.094 20 5 GGBDRO C[C@H]1C[C@@H](Nc2ccc(I)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000097635714 564910144 /nfs/dbraw/zinc/91/01/44/564910144.db2.gz IYBHEEIKIATDLX-ONGXEEELSA-N 1 0 375.210 3.094 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000151485773 564922606 /nfs/dbraw/zinc/92/26/06/564922606.db2.gz RIZJQXZSGUZCQO-CYBMUJFWSA-N 1 0 398.301 3.281 20 5 GGBDRO COc1ccc(OCC[N@H+](C)Cc2cc(Br)cn2C)c([N+](=O)[O-])c1 ZINC000151592458 564928412 /nfs/dbraw/zinc/92/84/12/564928412.db2.gz FZKFCPVEQJVNES-UHFFFAOYSA-N 1 0 398.257 3.215 20 5 GGBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000153906275 565016763 /nfs/dbraw/zinc/01/67/63/565016763.db2.gz JMXVALUAOLPNEL-OAHLLOKOSA-N 1 0 396.285 3.448 20 5 GGBDRO C[N@@H+](Cc1ccccc1)C[C@H](O)COc1c(Br)cccc1[N+](=O)[O-] ZINC000154006346 565021889 /nfs/dbraw/zinc/02/18/89/565021889.db2.gz FQTGJXPHZUSGTB-AWEZNQCLSA-N 1 0 395.253 3.229 20 5 GGBDRO C[NH2+]C[C@@H](C)CNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000154634453 565047448 /nfs/dbraw/zinc/04/74/48/565047448.db2.gz LMZKYKUTXXHOAD-SNVBAGLBSA-N 1 0 380.495 3.096 20 5 GGBDRO CC1(C)CC(NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC(C)(C)[NH2+]1 ZINC000154916153 565056583 /nfs/dbraw/zinc/05/65/83/565056583.db2.gz ZSWAXPTXOGMBEL-UHFFFAOYSA-N 1 0 384.274 3.396 20 5 GGBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000155116220 565062156 /nfs/dbraw/zinc/06/21/56/565062156.db2.gz QRSYVPOGDJBQRN-LBPRGKRZSA-N 1 0 383.246 3.059 20 5 GGBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC(n2ccnc2)CC1 ZINC000155137099 565062605 /nfs/dbraw/zinc/06/26/05/565062605.db2.gz KQNIWZOJIGLXNN-UHFFFAOYSA-N 1 0 394.229 3.423 20 5 GGBDRO Cc1ccc(C[NH2+]CCNC(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000113354426 565069404 /nfs/dbraw/zinc/06/94/04/565069404.db2.gz SJOLONWKKCPQEX-UHFFFAOYSA-N 1 0 392.253 3.185 20 5 GGBDRO C[NH+](C)[C@]1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCSC1 ZINC000267108258 565105308 /nfs/dbraw/zinc/10/53/08/565105308.db2.gz QNCQEBIQIOFCKB-KRWDZBQOSA-N 1 0 378.523 3.245 20 5 GGBDRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000267435978 565116408 /nfs/dbraw/zinc/11/64/08/565116408.db2.gz AAIRZMMVGHUZDL-UHFFFAOYSA-N 1 0 396.285 3.494 20 5 GGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000267562940 565122272 /nfs/dbraw/zinc/12/22/72/565122272.db2.gz HJBHMYMTLORVKQ-OLZOCXBDSA-N 1 0 382.258 3.056 20 5 GGBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000267909408 565135290 /nfs/dbraw/zinc/13/52/90/565135290.db2.gz DCUAXDPKSOHYEF-LLVKDONJSA-N 1 0 388.237 3.053 20 5 GGBDRO O=C(NCCCCC[NH+]1CCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000293847368 565187557 /nfs/dbraw/zinc/18/75/57/565187557.db2.gz FZGLFTVQHIIGIY-UHFFFAOYSA-N 1 0 384.274 3.353 20 5 GGBDRO C[NH+](C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)c1 ZINC000159340495 565203137 /nfs/dbraw/zinc/20/31/37/565203137.db2.gz KUCGQDAFELENOK-UHFFFAOYSA-N 1 0 392.253 3.349 20 5 GGBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Br)C2)CC1 ZINC000270066927 565208033 /nfs/dbraw/zinc/20/80/33/565208033.db2.gz CDLXSESISOZYAI-CYBMUJFWSA-N 1 0 396.285 3.161 20 5 GGBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C2)CC1 ZINC000270077228 565208127 /nfs/dbraw/zinc/20/81/27/565208127.db2.gz HZAFNLJEECCAOA-ZDUSSCGKSA-N 1 0 396.285 3.161 20 5 GGBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000270951288 565233732 /nfs/dbraw/zinc/23/37/32/565233732.db2.gz DWQVZGNZCSBRRL-LLVKDONJSA-N 1 0 384.274 3.160 20 5 GGBDRO COc1ccc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000270960954 565233785 /nfs/dbraw/zinc/23/37/85/565233785.db2.gz AQGWJGIAOQOZPP-AWEZNQCLSA-N 1 0 381.226 3.189 20 5 GGBDRO C[NH+](C)CC1(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CCCC1 ZINC000186193934 565245875 /nfs/dbraw/zinc/24/58/75/565245875.db2.gz CTWNHTRCFGLGIC-UHFFFAOYSA-N 1 0 384.274 3.209 20 5 GGBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[NH+](C2CCCC2)CC1 ZINC000160811867 565261035 /nfs/dbraw/zinc/26/10/35/565261035.db2.gz REEXCZSUCBRHOO-UHFFFAOYSA-N 1 0 382.258 3.058 20 5 GGBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H](O)c1ccccc1Br ZINC000295433895 565265666 /nfs/dbraw/zinc/26/56/66/565265666.db2.gz VZTVRDMECBDQDJ-IAGOWNOFSA-N 1 0 395.253 3.056 20 5 GGBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H](O)c1ccccc1Br ZINC000295433893 565265924 /nfs/dbraw/zinc/26/59/24/565265924.db2.gz VZTVRDMECBDQDJ-DLBZAZTESA-N 1 0 395.253 3.056 20 5 GGBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000272157605 565279410 /nfs/dbraw/zinc/27/94/10/565279410.db2.gz HGUPGTBKZKMUGP-NSHDSACASA-N 1 0 384.274 3.160 20 5 GGBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000272157604 565279597 /nfs/dbraw/zinc/27/95/97/565279597.db2.gz HGUPGTBKZKMUGP-LLVKDONJSA-N 1 0 384.274 3.160 20 5 GGBDRO COc1cc(C[NH2+]CC2CCSCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272525862 565289974 /nfs/dbraw/zinc/28/99/74/565289974.db2.gz YXHNMXBMAOQNLE-UHFFFAOYSA-N 1 0 376.425 3.480 20 5 GGBDRO O=[N+]([O-])c1cc(Br)cnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000161912269 565297680 /nfs/dbraw/zinc/29/76/80/565297680.db2.gz MLDGEIWFFXQTOP-RISCZKNCSA-N 1 0 381.274 3.205 20 5 GGBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3nc(C(F)(F)F)cs3)CC2)c1 ZINC000296348244 565313238 /nfs/dbraw/zinc/31/32/38/565313238.db2.gz QGNFDTJYWBKULS-UHFFFAOYSA-N 1 0 375.376 3.146 20 5 GGBDRO CCc1nc(C)c([C@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000273495107 565322331 /nfs/dbraw/zinc/32/23/31/565322331.db2.gz XQEGQJNZXSZJAN-NSHDSACASA-N 1 0 383.495 3.047 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000163107773 565336047 /nfs/dbraw/zinc/33/60/47/565336047.db2.gz RVFCKJJEJOTTMC-UHFFFAOYSA-N 1 0 396.285 3.366 20 5 GGBDRO CCC[NH+]1CCC(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CC1 ZINC000163110898 565336626 /nfs/dbraw/zinc/33/66/26/565336626.db2.gz WMMPQSHZZXMXEN-UHFFFAOYSA-N 1 0 384.274 3.270 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297204814 565362274 /nfs/dbraw/zinc/36/22/74/565362274.db2.gz YRBWEZPRTQXZNH-YOGCLGLASA-N 1 0 382.258 3.021 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000375042802 565365386 /nfs/dbraw/zinc/36/53/86/565365386.db2.gz NBPOOJCTDOFKCY-NWDGAFQWSA-N 1 0 382.258 3.022 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000297306274 565366801 /nfs/dbraw/zinc/36/68/01/565366801.db2.gz YFVFSKAOKPKTND-UHFFFAOYSA-N 1 0 396.285 3.412 20 5 GGBDRO COc1cccc([C@H](CNc2ncc(Br)cc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000301090378 565463292 /nfs/dbraw/zinc/46/32/92/565463292.db2.gz NIPOOYJIEZDMES-HNNXBMFYSA-N 1 0 395.257 3.476 20 5 GGBDRO C[NH+](C)[C@H](CNc1ncc(Br)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000301683497 565504751 /nfs/dbraw/zinc/50/47/51/565504751.db2.gz KMXGXUKXCJDCPN-AWEZNQCLSA-N 1 0 379.258 3.337 20 5 GGBDRO COc1cccc([C@H](CNc2c(Br)cncc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000301836839 565513440 /nfs/dbraw/zinc/51/34/40/565513440.db2.gz MEMGUCZAGWCRHS-AWEZNQCLSA-N 1 0 395.257 3.476 20 5 GGBDRO C[C@@H]1C[NH+](CCCCNc2c(Br)cncc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000301901625 565517375 /nfs/dbraw/zinc/51/73/75/565517375.db2.gz VSHRTDQRYNOHBG-VXGBXAGGSA-N 1 0 387.278 3.054 20 5 GGBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(NC2CCC([NH+]3CCCCC3)CC2)s1 ZINC000301917264 565517877 /nfs/dbraw/zinc/51/78/77/565517877.db2.gz AUJJUGBFZORZHF-UHFFFAOYSA-N 1 0 387.527 3.269 20 5 GGBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000277982392 565532780 /nfs/dbraw/zinc/53/27/80/565532780.db2.gz ACKHTMLQLQRODL-SECBINFHSA-N 1 0 390.303 3.221 20 5 GGBDRO C[C@@H]1C[NH+](C[C@H]2CCCN2c2ccc(Br)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000302402616 565540917 /nfs/dbraw/zinc/54/09/17/565540917.db2.gz FVDKWBQSTYENNG-UMVBOHGHSA-N 1 0 398.301 3.435 20 5 GGBDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2c2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000302402614 565541043 /nfs/dbraw/zinc/54/10/43/565541043.db2.gz FVDKWBQSTYENNG-GUTXKFCHSA-N 1 0 398.301 3.435 20 5 GGBDRO C[C@H](O)C[N@@H+]1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000302384267 565541218 /nfs/dbraw/zinc/54/12/18/565541218.db2.gz AJJQWTHUBSWNPD-UWVGGRQHSA-N 1 0 381.782 3.158 20 5 GGBDRO C[C@@H](O)C[N@@H+]1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000302384270 565541394 /nfs/dbraw/zinc/54/13/94/565541394.db2.gz AJJQWTHUBSWNPD-VHSXEESVSA-N 1 0 381.782 3.158 20 5 GGBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2sc(Br)cc2[N+](=O)[O-])C1 ZINC000278129513 565542106 /nfs/dbraw/zinc/54/21/06/565542106.db2.gz MPOALYXJAHKUAH-BDAKNGLRSA-N 1 0 376.276 3.021 20 5 GGBDRO CC[NH+]1CCN([C@H](C)CNc2cc(C)c([N+](=O)[O-])cc2Br)CC1 ZINC000302664753 565548429 /nfs/dbraw/zinc/54/84/29/565548429.db2.gz JANBQOTZKMZBPB-CYBMUJFWSA-N 1 0 385.306 3.104 20 5 GGBDRO Cc1cc(NCCCn2cc(Br)cn2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000392695553 565565783 /nfs/dbraw/zinc/56/57/83/565565783.db2.gz BXXRPVKWXZZVRR-UHFFFAOYSA-N 1 0 390.241 3.335 20 5 GGBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000173593581 565569858 /nfs/dbraw/zinc/56/98/58/565569858.db2.gz GKKKWUNJXZXXSU-GFCCVEGCSA-N 1 0 384.274 3.161 20 5 GGBDRO O=[N+]([O-])c1cc(Br)cnc1NC1CC[NH+](Cc2cccnc2)CC1 ZINC000278696775 565572761 /nfs/dbraw/zinc/57/27/61/565572761.db2.gz MMSKUMJYJUUGMG-UHFFFAOYSA-N 1 0 392.257 3.224 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000408005677 565590996 /nfs/dbraw/zinc/59/09/96/565590996.db2.gz RVCMRUMVTKLNOA-WBMJQRKESA-N 1 0 396.285 3.222 20 5 GGBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000408356546 565606403 /nfs/dbraw/zinc/60/64/03/565606403.db2.gz ZPFNYGSZOREDFX-GFCCVEGCSA-N 1 0 384.274 3.047 20 5 GGBDRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279430470 565612410 /nfs/dbraw/zinc/61/24/10/565612410.db2.gz GOHFQEJHQMNQOY-ZIAGYGMSSA-N 1 0 380.388 3.059 20 5 GGBDRO C[C@@H]1CN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000323365725 565613890 /nfs/dbraw/zinc/61/38/90/565613890.db2.gz YLFKGXRHSWDAEW-QLJPJBMISA-N 1 0 379.258 3.327 20 5 GGBDRO CC(C)[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174740411 565654807 /nfs/dbraw/zinc/65/48/07/565654807.db2.gz VOXSDSBPLKWKIL-CQSZACIVSA-N 1 0 387.267 3.370 20 5 GGBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000175017686 565673951 /nfs/dbraw/zinc/67/39/51/565673951.db2.gz PSCSGWZJINIEBC-DGCLKSJQSA-N 1 0 382.258 3.056 20 5 GGBDRO C[C@H](CCNC(=O)c1cccc([N+](=O)[O-])c1Br)[NH+]1CCCCC1 ZINC000192380965 565683068 /nfs/dbraw/zinc/68/30/68/565683068.db2.gz ZMLIRGYVWVRNGL-GFCCVEGCSA-N 1 0 384.274 3.352 20 5 GGBDRO Cc1c(NC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc(Br)cc1[N+](=O)[O-] ZINC000280740084 565692793 /nfs/dbraw/zinc/69/27/93/565692793.db2.gz LKPGMXVWVJFXMO-IAQYHMDHSA-N 1 0 397.273 3.224 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000175516035 565704263 /nfs/dbraw/zinc/70/42/63/565704263.db2.gz PWKCEAABIIAZKN-MRXNPFEDSA-N 1 0 392.253 3.390 20 5 GGBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C1 ZINC000330473084 565707481 /nfs/dbraw/zinc/70/74/81/565707481.db2.gz PXTTUBFARYHHEV-LBPRGKRZSA-N 1 0 384.274 3.222 20 5 GGBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000330573630 565712337 /nfs/dbraw/zinc/71/23/37/565712337.db2.gz ZHHTYQPNATWJKY-GFCCVEGCSA-N 1 0 398.301 3.089 20 5 GGBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000175653540 565713744 /nfs/dbraw/zinc/71/37/44/565713744.db2.gz BVLOZIBATFFFNF-UHFFFAOYSA-N 1 0 379.507 3.339 20 5 GGBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)C2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000330621916 565714079 /nfs/dbraw/zinc/71/40/79/565714079.db2.gz NBEVOCZNAAFSDC-UHFFFAOYSA-N 1 0 389.905 3.050 20 5 GGBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000175657392 565714590 /nfs/dbraw/zinc/71/45/90/565714590.db2.gz NNKDJNBOHWADFC-UHFFFAOYSA-N 1 0 381.885 3.443 20 5 GGBDRO Cn1c(Sc2ccc([N+](=O)[O-])cc2Br)nnc1C1CC[NH2+]CC1 ZINC000281189388 565716995 /nfs/dbraw/zinc/71/69/95/565716995.db2.gz MKLIGGNNJVJBLE-UHFFFAOYSA-N 1 0 398.286 3.104 20 5 GGBDRO O=C(CCN1CCSC[C@@H]1c1nccs1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411550021 565735945 /nfs/dbraw/zinc/73/59/45/565735945.db2.gz IUWRRFKTOLDBPB-CQSZACIVSA-N 1 0 378.479 3.170 20 5 GGBDRO C[NH+](C)CC[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(C)(C)C ZINC000175979105 565738879 /nfs/dbraw/zinc/73/88/79/565738879.db2.gz NFGOLXFHLMLVIJ-AWEZNQCLSA-N 1 0 386.290 3.454 20 5 GGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000331146924 565742313 /nfs/dbraw/zinc/74/23/13/565742313.db2.gz AQZXFJPXIGTOKL-ZDUSSCGKSA-N 1 0 384.274 3.304 20 5 GGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000331146922 565742713 /nfs/dbraw/zinc/74/27/13/565742713.db2.gz AQZXFJPXIGTOKL-CYBMUJFWSA-N 1 0 384.274 3.304 20 5 GGBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000331501442 565763341 /nfs/dbraw/zinc/76/33/41/565763341.db2.gz HHTBJDGNDVDVMZ-JSGCOSHPSA-N 1 0 383.901 3.426 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)NC[C@H](C)[NH+](C)C)cc2[N+](=O)[O-])n1 ZINC000412384491 565786572 /nfs/dbraw/zinc/78/65/72/565786572.db2.gz QKXAFFYTKCXJTL-NSHDSACASA-N 1 0 380.495 3.191 20 5 GGBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000331948034 565795502 /nfs/dbraw/zinc/79/55/02/565795502.db2.gz OEJCXHJETFFGMD-LBPRGKRZSA-N 1 0 382.258 3.104 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000332209768 565815927 /nfs/dbraw/zinc/81/59/27/565815927.db2.gz RYAWIEFBFOOUOP-SMDDNHRTSA-N 1 0 396.285 3.365 20 5 GGBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000332220180 565818081 /nfs/dbraw/zinc/81/80/81/565818081.db2.gz VOUFOUMJJUHDSP-AWEZNQCLSA-N 1 0 383.901 3.427 20 5 GGBDRO C[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000176986024 565820657 /nfs/dbraw/zinc/82/06/57/565820657.db2.gz LTGSVXVZXRBKMS-NEPJUHHUSA-N 1 0 384.274 3.208 20 5 GGBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000177056952 565825133 /nfs/dbraw/zinc/82/51/33/565825133.db2.gz OSTHSYJYAZXVIF-GFCCVEGCSA-N 1 0 384.274 3.208 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000332308317 565827721 /nfs/dbraw/zinc/82/77/21/565827721.db2.gz MATLBPRZWLVUOF-LSDHHAIUSA-N 1 0 382.258 3.022 20 5 GGBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000332332775 565830151 /nfs/dbraw/zinc/83/01/51/565830151.db2.gz PNOCYIVOOZLZKR-CYBMUJFWSA-N 1 0 382.258 3.058 20 5 GGBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000332496228 565840300 /nfs/dbraw/zinc/84/03/00/565840300.db2.gz BVULCPCLHYJHGU-DGCLKSJQSA-N 1 0 382.258 3.056 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000332533193 565842617 /nfs/dbraw/zinc/84/26/17/565842617.db2.gz SWEVTBGIYIXMPM-FZMZJTMJSA-N 1 0 396.285 3.365 20 5 GGBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000332595749 565846099 /nfs/dbraw/zinc/84/60/99/565846099.db2.gz GQMLTZGJCUSYAB-QWHCGFSZSA-N 1 0 382.258 3.056 20 5 GGBDRO Cc1c(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000332598536 565846259 /nfs/dbraw/zinc/84/62/59/565846259.db2.gz MNNCPHJQWONDPD-CYBMUJFWSA-N 1 0 397.273 3.368 20 5 GGBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C1 ZINC000284456222 565853757 /nfs/dbraw/zinc/85/37/57/565853757.db2.gz WDRZQNCDJZCXGD-GFCCVEGCSA-N 1 0 384.274 3.080 20 5 GGBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000195021387 565854577 /nfs/dbraw/zinc/85/45/77/565854577.db2.gz YOZWBSJBMQDALA-SNVBAGLBSA-N 1 0 378.226 3.307 20 5 GGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C1 ZINC000284491237 565856646 /nfs/dbraw/zinc/85/66/46/565856646.db2.gz YMVOKAARNUDHIK-ZDUSSCGKSA-N 1 0 398.301 3.470 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000284719301 565866937 /nfs/dbraw/zinc/86/69/37/565866937.db2.gz OZTRLMDCNVGHMV-GFCCVEGCSA-N 1 0 384.274 3.222 20 5 GGBDRO C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284907667 565876376 /nfs/dbraw/zinc/87/63/76/565876376.db2.gz CNIKOZNCBPTPQJ-JTQLQIEISA-N 1 0 383.857 3.085 20 5 GGBDRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000414147346 565898807 /nfs/dbraw/zinc/89/88/07/565898807.db2.gz RIYLALAXQPSTSY-NEPJUHHUSA-N 1 0 380.242 3.258 20 5 GGBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000178475807 565920237 /nfs/dbraw/zinc/92/02/37/565920237.db2.gz NLVVFBLMANNHJK-AWEZNQCLSA-N 1 0 382.258 3.058 20 5 GGBDRO Cc1c(Br)cc(C(=O)NC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000178741667 565934929 /nfs/dbraw/zinc/93/49/29/565934929.db2.gz ANLQLQUKZITOCB-UHFFFAOYSA-N 1 0 396.285 3.270 20 5 GGBDRO O=C(NCC[NH2+]C1CCCCCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000236567436 565938283 /nfs/dbraw/zinc/93/82/83/565938283.db2.gz CLENSWZWIJFMPH-UHFFFAOYSA-N 1 0 384.274 3.400 20 5 GGBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000236630392 565941259 /nfs/dbraw/zinc/94/12/59/565941259.db2.gz YYQMTMJBTKHEMC-UHFFFAOYSA-N 1 0 392.253 3.267 20 5 GGBDRO O=C(NCC[NH2+]C1CCCCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000236608236 565941561 /nfs/dbraw/zinc/94/15/61/565941561.db2.gz UVQFANKTHQSZJO-UHFFFAOYSA-N 1 0 384.274 3.400 20 5 GGBDRO C[C@@H]1C[C@H](C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)[C@@H](C)O1 ZINC000414523605 565945581 /nfs/dbraw/zinc/94/55/81/565945581.db2.gz YNRKDLXKECVBQE-CKYFFXLPSA-N 1 0 390.221 3.103 20 5 GGBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)[C@H](C)O1 ZINC000414523608 565945639 /nfs/dbraw/zinc/94/56/39/565945639.db2.gz YNRKDLXKECVBQE-SCVCMEIPSA-N 1 0 390.221 3.103 20 5 GGBDRO CN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286298169 565953178 /nfs/dbraw/zinc/95/31/78/565953178.db2.gz SHSHFVUPVMYVQV-PBWFPOADSA-N 1 0 383.901 3.424 20 5 GGBDRO CS(=O)(=O)CC[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000237309157 565956291 /nfs/dbraw/zinc/95/62/91/565956291.db2.gz KUKPVTDHNDESBB-UHFFFAOYSA-N 1 0 384.841 3.175 20 5 GGBDRO [NH3+]C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C1CC1 ZINC000414812217 565962477 /nfs/dbraw/zinc/96/24/77/565962477.db2.gz XFVXZXYAHKUNKU-HNNXBMFYSA-N 1 0 380.242 3.444 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CCC[NH2+]C3)o2)c(Br)c1 ZINC000414864851 565964343 /nfs/dbraw/zinc/96/43/43/565964343.db2.gz KHRITZSGYUYAPI-LLVKDONJSA-N 1 0 380.242 3.459 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N3CCC[C@H]3C[NH3+])cc2[N+](=O)[O-])n1 ZINC000237648654 565965975 /nfs/dbraw/zinc/96/59/75/565965975.db2.gz XESMHNVOXQBUMK-LBPRGKRZSA-N 1 0 378.479 3.074 20 5 GGBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCCCC[NH+]2CCCCC2)s1 ZINC000179591506 565991564 /nfs/dbraw/zinc/99/15/64/565991564.db2.gz URBNBQLSUMLUIE-UHFFFAOYSA-N 1 0 375.516 3.128 20 5 GGBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000245697349 566001938 /nfs/dbraw/zinc/00/19/38/566001938.db2.gz SJWZFPYGVXNAPB-KGLIPLIRSA-N 1 0 382.258 3.056 20 5 GGBDRO Cc1c(NC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc(Br)cc1[N+](=O)[O-] ZINC000415652609 566011150 /nfs/dbraw/zinc/01/11/50/566011150.db2.gz HOLOXXCDLBCIPL-GXTWGEPZSA-N 1 0 397.273 3.175 20 5 GGBDRO Cc1c(NC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000415655488 566011959 /nfs/dbraw/zinc/01/19/59/566011959.db2.gz KIQVUGNZTXYWFP-CABZTGNLSA-N 1 0 385.262 3.257 20 5 GGBDRO Cc1c(NC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415662883 566012384 /nfs/dbraw/zinc/01/23/84/566012384.db2.gz RSMQRUNOQVKAQV-ZYHUDNBSSA-N 1 0 385.262 3.305 20 5 GGBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000287415930 566016666 /nfs/dbraw/zinc/01/66/66/566016666.db2.gz ZTFOCUQBAUOWRK-IAQYHMDHSA-N 1 0 382.258 3.056 20 5 GGBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)[N@@H+]1CCC[C@H](C)C1 ZINC000246176201 566019606 /nfs/dbraw/zinc/01/96/06/566019606.db2.gz JPMGXJBQGHBSJU-NWDGAFQWSA-N 1 0 384.274 3.208 20 5 GGBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000246265520 566024217 /nfs/dbraw/zinc/02/42/17/566024217.db2.gz ZNKHJPXCOYJHNS-NEPJUHHUSA-N 1 0 384.274 3.208 20 5 GGBDRO O=[N+]([O-])c1cnc(NCC2CCN(c3cc[nH+]cc3)CC2)c(Br)c1 ZINC000180045066 566027885 /nfs/dbraw/zinc/02/78/85/566027885.db2.gz QPNLVNHHDCURSB-UHFFFAOYSA-N 1 0 392.257 3.476 20 5 GGBDRO O=[N+]([O-])c1cc(Br)cnc1NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180045107 566027957 /nfs/dbraw/zinc/02/79/57/566027957.db2.gz HJHJUNRJWQTQHU-UHFFFAOYSA-N 1 0 392.257 3.476 20 5 GGBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)C(C)(C)C[NH+]1CCCC1 ZINC000416097064 566034295 /nfs/dbraw/zinc/03/42/95/566034295.db2.gz FEGYRHQXJVGHER-UHFFFAOYSA-N 1 0 398.301 3.233 20 5 GGBDRO CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C(C)(C)C[NH+]1CCCC1 ZINC000416105462 566034412 /nfs/dbraw/zinc/03/44/12/566034412.db2.gz KYWBQPZZLYHELZ-UHFFFAOYSA-N 1 0 384.274 3.304 20 5 GGBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000247069373 566051717 /nfs/dbraw/zinc/05/17/17/566051717.db2.gz PREDRLWEQMGKDG-XQQFMLRXSA-N 1 0 398.301 3.454 20 5 GGBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000180393242 566060642 /nfs/dbraw/zinc/06/06/42/566060642.db2.gz BRILQCXBVQZAEC-MLGOLLRUSA-N 1 0 395.253 3.448 20 5 GGBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180434498 566062952 /nfs/dbraw/zinc/06/29/52/566062952.db2.gz ZMDJCDOADFHJOZ-BLLLJJGKSA-N 1 0 395.253 3.448 20 5 GGBDRO C[N@@H+]1CCCC12CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)CC2 ZINC000364913414 566076008 /nfs/dbraw/zinc/07/60/08/566076008.db2.gz CQSGPAWENPOKQW-UHFFFAOYSA-N 1 0 382.258 3.058 20 5 GGBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000248461513 566078748 /nfs/dbraw/zinc/07/87/48/566078748.db2.gz VBGLXWNRGSNQOF-GXTWGEPZSA-N 1 0 383.901 3.283 20 5 GGBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000289540240 566127721 /nfs/dbraw/zinc/12/77/21/566127721.db2.gz DZHYWFQTADFHFA-WCQYABFASA-N 1 0 382.258 3.056 20 5 GGBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000181361102 566136048 /nfs/dbraw/zinc/13/60/48/566136048.db2.gz SGUNENLMDAABAH-SWLSCSKDSA-N 1 0 395.253 3.448 20 5 GGBDRO CC[NH+]1CCN([C@H]2CCN(Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)CC1 ZINC000289750846 566138793 /nfs/dbraw/zinc/13/87/93/566138793.db2.gz IVQNECZHLPDJLR-HNNXBMFYSA-N 1 0 387.311 3.113 20 5 GGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)c1 ZINC000262173031 566148529 /nfs/dbraw/zinc/14/85/29/566148529.db2.gz AXXGPMLSZBBPKJ-UHFFFAOYSA-N 1 0 378.479 3.493 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCCS(=O)(=O)C3)s2)cc1 ZINC000290106083 566157475 /nfs/dbraw/zinc/15/74/75/566157475.db2.gz KQFGHLXZELNVCP-ZDUSSCGKSA-N 1 0 380.491 3.238 20 5 GGBDRO C[NH+]1CCC2(CCCN2C(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000366775739 566169689 /nfs/dbraw/zinc/16/96/89/566169689.db2.gz WPXNYJZBWMXTPC-UHFFFAOYSA-N 1 0 382.258 3.058 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2nccn2C)C1 ZINC000366930335 566176861 /nfs/dbraw/zinc/17/68/61/566176861.db2.gz AMLWBUVHPRVZRY-NSHDSACASA-N 1 0 393.241 3.029 20 5 GGBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000182090218 566181707 /nfs/dbraw/zinc/18/17/07/566181707.db2.gz MBDWWMXDLVABJQ-GFCCVEGCSA-N 1 0 397.273 3.307 20 5 GGBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000182175896 566188063 /nfs/dbraw/zinc/18/80/63/566188063.db2.gz ILONNGMKUFBYSX-DOMZBBRYSA-N 1 0 395.253 3.448 20 5 GGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000290909423 566195877 /nfs/dbraw/zinc/19/58/77/566195877.db2.gz PAGHLGYJHIKDRV-LBPRGKRZSA-N 1 0 388.295 3.492 20 5 GGBDRO Cn1c(Sc2ccc(Br)cc2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000265386407 566236680 /nfs/dbraw/zinc/23/66/80/566236680.db2.gz DZSDCUWMRUSMID-SECBINFHSA-N 1 0 398.286 3.104 20 5 GGBDRO Cn1c(Sc2ccc(Br)cc2[N+](=O)[O-])nnc1C1CC[NH2+]CC1 ZINC000265482283 566237669 /nfs/dbraw/zinc/23/76/69/566237669.db2.gz SUPAIJGQSHYAKE-UHFFFAOYSA-N 1 0 398.286 3.104 20 5 GGBDRO C[C@@H](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[NH+]1CCCCC1 ZINC000183135178 566239105 /nfs/dbraw/zinc/23/91/05/566239105.db2.gz DBDAEYKHFRLZPD-ZDUSSCGKSA-N 1 0 398.301 3.281 20 5 GGBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)c1 ZINC000481749683 566250703 /nfs/dbraw/zinc/25/07/03/566250703.db2.gz XBGWZVDONDVWON-OAHLLOKOSA-N 1 0 383.221 3.434 20 5 GGBDRO C[NH+](C)Cc1ccc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1Cl ZINC000481865753 566257685 /nfs/dbraw/zinc/25/76/85/566257685.db2.gz MIVKXURNGGEDGO-UHFFFAOYSA-N 1 0 383.857 3.252 20 5 GGBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000599391166 566262099 /nfs/dbraw/zinc/26/20/99/566262099.db2.gz NTCZUQZEQLCQLL-LBPRGKRZSA-N 1 0 382.258 3.058 20 5 GGBDRO CCCC[NH+]1CCC(NC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599417849 566264026 /nfs/dbraw/zinc/26/40/26/566264026.db2.gz XHQRIGTYTRXXEL-UHFFFAOYSA-N 1 0 384.274 3.352 20 5 GGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](Sc3ccc(Br)cc3)C2)n1 ZINC000599526491 566272651 /nfs/dbraw/zinc/27/26/51/566272651.db2.gz MZKJAFGATPQLFM-CQSZACIVSA-N 1 0 397.298 3.420 20 5 GGBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cc(F)c(Br)cc1F ZINC000599542532 566273480 /nfs/dbraw/zinc/27/34/80/566273480.db2.gz VKUCDEILEQZYNY-MRVPVSSYSA-N 1 0 375.173 3.183 20 5 GGBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000599601091 566279196 /nfs/dbraw/zinc/27/91/96/566279196.db2.gz QTWDVRIJQPQESR-ZDUSSCGKSA-N 1 0 396.285 3.305 20 5 GGBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599620075 566280372 /nfs/dbraw/zinc/28/03/72/566280372.db2.gz ZSWWZDMYHPFSKG-CYBMUJFWSA-N 1 0 396.285 3.161 20 5 GGBDRO O=[N+]([O-])c1ccc(Cc2noc(C34CCC[NH+]3CCC4)n2)c(Br)c1 ZINC000420487598 566284200 /nfs/dbraw/zinc/28/42/00/566284200.db2.gz LVZUUQXFMGKUFI-UHFFFAOYSA-N 1 0 393.241 3.416 20 5 GGBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599709695 566289900 /nfs/dbraw/zinc/28/99/00/566289900.db2.gz VMUFMRDQEPYTSV-ZDUSSCGKSA-N 1 0 398.301 3.455 20 5 GGBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3c(Br)cccc3[N+](=O)[O-])C2)CC1 ZINC000599723838 566291424 /nfs/dbraw/zinc/29/14/24/566291424.db2.gz PPMWEPSOSWNIFG-ZDUSSCGKSA-N 1 0 396.285 3.161 20 5 GGBDRO C[NH+](C)CC1(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])CCCC1 ZINC000599758681 566292628 /nfs/dbraw/zinc/29/26/28/566292628.db2.gz OETHMLLUGCTZET-UHFFFAOYSA-N 1 0 384.274 3.209 20 5 GGBDRO CC(C)(CNC(=O)c1c(Br)cccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000599821643 566297855 /nfs/dbraw/zinc/29/78/55/566297855.db2.gz ISHMZRZPRKCOFE-UHFFFAOYSA-N 1 0 384.274 3.209 20 5 GGBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599849691 566299470 /nfs/dbraw/zinc/29/94/70/566299470.db2.gz KVAQFAWPJROLDG-ZDUSSCGKSA-N 1 0 384.274 3.208 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCn1cc(Br)ccc1=O ZINC000556455249 566303617 /nfs/dbraw/zinc/30/36/17/566303617.db2.gz FNEQCWXYGLHQLL-LBPRGKRZSA-N 1 0 380.242 3.178 20 5 GGBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599933159 566304104 /nfs/dbraw/zinc/30/41/04/566304104.db2.gz CZMAROTWWOUWEU-NEPJUHHUSA-N 1 0 382.258 3.056 20 5 GGBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599933160 566304632 /nfs/dbraw/zinc/30/46/32/566304632.db2.gz CZMAROTWWOUWEU-NWDGAFQWSA-N 1 0 382.258 3.056 20 5 GGBDRO C[C@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000599966119 566306122 /nfs/dbraw/zinc/30/61/22/566306122.db2.gz NSOCFCJFEJSCRH-GFCCVEGCSA-N 1 0 396.285 3.304 20 5 GGBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000600099383 566314463 /nfs/dbraw/zinc/31/44/63/566314463.db2.gz OBLLPWYQXYZEMN-LBPRGKRZSA-N 1 0 384.274 3.208 20 5 GGBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1c(Br)cccc1[N+](=O)[O-] ZINC000600085398 566314631 /nfs/dbraw/zinc/31/46/31/566314631.db2.gz LGNUKNJQMJOGAR-CHWSQXEVSA-N 1 0 382.258 3.104 20 5 GGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC000576164253 566321251 /nfs/dbraw/zinc/32/12/51/566321251.db2.gz QMBCLXWYZLTCJP-CQSZACIVSA-N 1 0 386.539 3.413 20 5 GGBDRO Cc1c(Br)cc(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000509635516 566322534 /nfs/dbraw/zinc/32/25/34/566322534.db2.gz AXEMKELNRMEYIX-LLVKDONJSA-N 1 0 384.274 3.127 20 5 GGBDRO Cc1c(Br)cc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000509666536 566326449 /nfs/dbraw/zinc/32/64/49/566326449.db2.gz KRQDVPRXPYITBL-NSHDSACASA-N 1 0 384.274 3.270 20 5 GGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2Cc2ccccc2Br)c1 ZINC000420959355 566331465 /nfs/dbraw/zinc/33/14/65/566331465.db2.gz FHSGRXFGGPARBA-CQSZACIVSA-N 1 0 379.258 3.261 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2c(Cl)cccc2Cl)c1 ZINC000556860243 566339068 /nfs/dbraw/zinc/33/90/68/566339068.db2.gz ZDLBCTPZLIRTPY-CYBMUJFWSA-N 1 0 385.247 3.474 20 5 GGBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000446273461 566340452 /nfs/dbraw/zinc/34/04/52/566340452.db2.gz AHOVHNCXIFMUCB-GXTWGEPZSA-N 1 0 398.301 3.231 20 5 GGBDRO COc1ccc(OCC[NH2+][C@@H](C)c2ccc(Br)cn2)c([N+](=O)[O-])c1 ZINC000482976419 566347274 /nfs/dbraw/zinc/34/72/74/566347274.db2.gz HSGMWMQHNYPACJ-NSHDSACASA-N 1 0 396.241 3.491 20 5 GGBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000446430675 566348951 /nfs/dbraw/zinc/34/89/51/566348951.db2.gz XCTVQLWTRHUPKG-UHFFFAOYSA-N 1 0 396.241 3.154 20 5 GGBDRO C[C@@H]1C[C@H](Nc2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC[N@@H+]1C ZINC000462875454 566362281 /nfs/dbraw/zinc/36/22/81/566362281.db2.gz MFUMJLXTTWRLLY-ZYHUDNBSSA-N 1 0 379.258 3.222 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](O)C3CC3)o2)c(Br)c1 ZINC000510276420 566372154 /nfs/dbraw/zinc/37/21/54/566372154.db2.gz AEFYCBUGVVNZKH-OAHLLOKOSA-N 1 0 381.226 3.478 20 5 GGBDRO Cc1c(Br)cc(C(=O)NCC[N@@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000510481156 566386769 /nfs/dbraw/zinc/38/67/69/566386769.db2.gz WFADVKBJWQFVHY-UHFFFAOYSA-N 1 0 384.274 3.270 20 5 GGBDRO C[C@H](O)C[NH+]1CCC(CN(C)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000557574349 566397758 /nfs/dbraw/zinc/39/77/58/566397758.db2.gz AWQSMQPAVCFSBX-NSHDSACASA-N 1 0 376.284 3.431 20 5 GGBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000601428706 566406132 /nfs/dbraw/zinc/40/61/32/566406132.db2.gz PIMMYCXLGPSNOI-UHFFFAOYSA-N 1 0 396.296 3.006 20 5 GGBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2(c3c(Cl)cccc3Cl)CCC2)c1 ZINC000447393790 566407326 /nfs/dbraw/zinc/40/73/26/566407326.db2.gz KMOXLCFIBZQCEE-GFCCVEGCSA-N 1 0 385.251 3.128 20 5 GGBDRO C[N@H+](CCc1cccc(Br)c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000463426895 566411286 /nfs/dbraw/zinc/41/12/86/566411286.db2.gz CVXPZBVSPFVLKW-UHFFFAOYSA-N 1 0 392.253 3.131 20 5 GGBDRO CCN(CC)C(=O)CCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602515175 566475152 /nfs/dbraw/zinc/47/51/52/566475152.db2.gz NRDULWXRTSVOMY-UHFFFAOYSA-N 1 0 378.292 3.157 20 5 GGBDRO O=C(CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)NCc1ccccc1 ZINC000602529269 566475753 /nfs/dbraw/zinc/47/57/53/566475753.db2.gz ANDYGERCRJOCTM-UHFFFAOYSA-N 1 0 398.282 3.215 20 5 GGBDRO O=[N+]([O-])c1sc(C[NH2+]CCCOC[C@@H]2CCCO2)cc1Br ZINC000602514670 566476296 /nfs/dbraw/zinc/47/62/96/566476296.db2.gz UHXNMEZMGTUIOZ-JTQLQIEISA-N 1 0 379.276 3.094 20 5 GGBDRO COc1cc(CC[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)ccc1O ZINC000602546207 566478390 /nfs/dbraw/zinc/47/83/90/566478390.db2.gz HFWFTDUZMKQAFS-UHFFFAOYSA-N 1 0 387.255 3.465 20 5 GGBDRO O=C(CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)N1CCCCCC1 ZINC000602585045 566479335 /nfs/dbraw/zinc/47/93/35/566479335.db2.gz BTAWTWWNJUEISK-UHFFFAOYSA-N 1 0 390.303 3.301 20 5 GGBDRO O=[N+]([O-])c1sc(C[NH2+][C@H]2CC[C@@](O)(C(F)(F)F)C2)cc1Br ZINC000602670186 566485044 /nfs/dbraw/zinc/48/50/44/566485044.db2.gz BRWNNMHXQXBJQI-WKEGUHRASA-N 1 0 389.193 3.354 20 5 GGBDRO CC(C)(C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C1(O)CCOCC1 ZINC000602697104 566487306 /nfs/dbraw/zinc/48/73/06/566487306.db2.gz UYKURQXCNRNSHP-UHFFFAOYSA-N 1 0 393.303 3.076 20 5 GGBDRO COC1([C@@H](C)[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCOCC1 ZINC000602693220 566487515 /nfs/dbraw/zinc/48/75/15/566487515.db2.gz DEKHMODOVCHSJK-SECBINFHSA-N 1 0 379.276 3.093 20 5 GGBDRO O=[N+]([O-])c1sc(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)cc1Br ZINC000602684821 566488202 /nfs/dbraw/zinc/48/82/02/566488202.db2.gz IZEZJQCVQVNSOV-AAEUAGOBSA-N 1 0 375.288 3.306 20 5 GGBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)cc1Br ZINC000602684822 566488368 /nfs/dbraw/zinc/48/83/68/566488368.db2.gz IZEZJQCVQVNSOV-DGCLKSJQSA-N 1 0 375.288 3.306 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCCS(=O)(=O)C3)o2)c(Cl)c1 ZINC000538414427 566511171 /nfs/dbraw/zinc/51/11/71/566511171.db2.gz HZLVIBQYDKBGKU-NSHDSACASA-N 1 0 384.841 3.175 20 5 GGBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC2(CC[NH2+]CC2)CC1 ZINC000578435000 566522392 /nfs/dbraw/zinc/52/23/92/566522392.db2.gz DFDBFBDTSXNZPI-UHFFFAOYSA-N 1 0 383.901 3.333 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2cc(F)ccc2Br)c1 ZINC000559071775 566525193 /nfs/dbraw/zinc/52/51/93/566525193.db2.gz HUZALBUPTOEUAC-AWEZNQCLSA-N 1 0 399.216 3.026 20 5 GGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000449098241 566528922 /nfs/dbraw/zinc/52/89/22/566528922.db2.gz IEBQSQACFKEZOA-CYBMUJFWSA-N 1 0 382.869 3.243 20 5 GGBDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000578682181 566544143 /nfs/dbraw/zinc/54/41/43/566544143.db2.gz GCBKJEGPGAXDRV-PRHODGIISA-N 1 0 378.235 3.041 20 5 GGBDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000578682180 566544217 /nfs/dbraw/zinc/54/42/17/566544217.db2.gz GCBKJEGPGAXDRV-PELKAZGASA-N 1 0 378.235 3.041 20 5 GGBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[NH+](CC2CC2)CC1 ZINC000603870642 566544316 /nfs/dbraw/zinc/54/43/16/566544316.db2.gz OKNWTQAYRIIXJG-UHFFFAOYSA-N 1 0 391.269 3.438 20 5 GGBDRO C[C@H]1CSC[C@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000578682182 566544419 /nfs/dbraw/zinc/54/44/19/566544419.db2.gz GCBKJEGPGAXDRV-QPUJVOFHSA-N 1 0 378.235 3.041 20 5 GGBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000603864649 566544550 /nfs/dbraw/zinc/54/45/50/566544550.db2.gz GKFAQIIHZVDCBR-STQMWFEESA-N 1 0 391.269 3.366 20 5 GGBDRO C[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000604016317 566550880 /nfs/dbraw/zinc/55/08/80/566550880.db2.gz PDOYDJABRMZJPF-MRXNPFEDSA-N 1 0 395.253 3.229 20 5 GGBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C1 ZINC000559553081 566557648 /nfs/dbraw/zinc/55/76/48/566557648.db2.gz YTPJRBGKCHWEOP-LBPRGKRZSA-N 1 0 384.274 3.127 20 5 GGBDRO Cc1c(Cl)cc(S(=O)(=O)NCC2([NH+](C)C)CCCCC2)cc1[N+](=O)[O-] ZINC000604468088 566565779 /nfs/dbraw/zinc/56/57/79/566565779.db2.gz FWJRLNAZRVZSJF-UHFFFAOYSA-N 1 0 389.905 3.099 20 5 GGBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C[C@@H]1C ZINC000579137092 566584091 /nfs/dbraw/zinc/58/40/91/566584091.db2.gz BHLDUVOZYGVAPD-QWRGUYRKSA-N 1 0 384.274 3.220 20 5 GGBDRO CO[C@H]([C@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000449628374 566585716 /nfs/dbraw/zinc/58/57/16/566585716.db2.gz IKMWLCDIXACJHZ-LKFCYVNXSA-N 1 0 390.221 3.103 20 5 GGBDRO CC(C)(O)C(C)(C)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000449728147 566597744 /nfs/dbraw/zinc/59/77/44/566597744.db2.gz TZQWUBHHOLXYIP-UHFFFAOYSA-N 1 0 392.237 3.086 20 5 GGBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)NC ZINC000449775497 566600529 /nfs/dbraw/zinc/60/05/29/566600529.db2.gz NFECIMVXRZRUSS-CQSZACIVSA-N 1 0 396.241 3.232 20 5 GGBDRO Cc1cncc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)c1 ZINC000579411828 566606590 /nfs/dbraw/zinc/60/65/90/566606590.db2.gz BEXWZBOTMLOOBJ-UHFFFAOYSA-N 1 0 383.189 3.193 20 5 GGBDRO NC(=O)C[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C1CCCCC1 ZINC000425436129 566643437 /nfs/dbraw/zinc/64/34/37/566643437.db2.gz VLCMQMSUZKGXCQ-CQSZACIVSA-N 1 0 384.274 3.271 20 5 GGBDRO Cc1sc(S(=O)(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000467405625 566645176 /nfs/dbraw/zinc/64/51/76/566645176.db2.gz QRCGAGVPHRCOEV-CHWSQXEVSA-N 1 0 389.543 3.001 20 5 GGBDRO CC(C)[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C(C)(C)O ZINC000579896319 566647552 /nfs/dbraw/zinc/64/75/52/566647552.db2.gz KJUXRZICGGSQLD-ZDUSSCGKSA-N 1 0 392.237 3.085 20 5 GGBDRO CN(C)C(=O)C1([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CCCCC1 ZINC000425491070 566649218 /nfs/dbraw/zinc/64/92/18/566649218.db2.gz LRMWZIYXVKVMED-UHFFFAOYSA-N 1 0 384.274 3.238 20 5 GGBDRO C[C@@H](C[C@H]1CCCO1)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000514636225 566658859 /nfs/dbraw/zinc/65/88/59/566658859.db2.gz SJAHDVDKUNHSPF-IINYFYTJSA-N 1 0 390.221 3.247 20 5 GGBDRO CC(C)[NH+](CCCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC000467779659 566665737 /nfs/dbraw/zinc/66/57/37/566665737.db2.gz DJICXLLJXLQECY-UHFFFAOYSA-N 1 0 377.894 3.035 20 5 GGBDRO [NH3+]CCCN(CC1CCCC1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000514858270 566675223 /nfs/dbraw/zinc/67/52/23/566675223.db2.gz SALVVOFIMIXBAG-UHFFFAOYSA-N 1 0 384.274 3.339 20 5 GGBDRO CSC1(CNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC[NH+](C)CC1 ZINC000450530627 566680837 /nfs/dbraw/zinc/68/08/37/566680837.db2.gz DUKCEAUAWAJDMN-UHFFFAOYSA-N 1 0 378.523 3.380 20 5 GGBDRO C[C@@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000561335120 566695979 /nfs/dbraw/zinc/69/59/79/566695979.db2.gz LKXQTZZOVDPVKI-DOMZBBRYSA-N 1 0 387.311 3.364 20 5 GGBDRO CC[N@@H+]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000561358612 566698487 /nfs/dbraw/zinc/69/84/87/566698487.db2.gz IXYJZNMKQYTTRD-NSHDSACASA-N 1 0 379.258 3.436 20 5 GGBDRO CN(CCC[N@H+](C)Cc1ccco1)c1c(Br)cncc1[N+](=O)[O-] ZINC000561434706 566704587 /nfs/dbraw/zinc/70/45/87/566704587.db2.gz GATYSUJCOIOYDR-UHFFFAOYSA-N 1 0 383.246 3.304 20 5 GGBDRO Cc1cc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])ccc1Br ZINC000515347449 566706417 /nfs/dbraw/zinc/70/64/17/566706417.db2.gz GXXIYYAVXMWJQI-CQSZACIVSA-N 1 0 395.253 3.195 20 5 GGBDRO C[N@@H+](Cc1cccc(Br)c1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541280779 566711114 /nfs/dbraw/zinc/71/11/14/566711114.db2.gz KBXFPGWICCTEDI-HNNXBMFYSA-N 1 0 395.253 3.229 20 5 GGBDRO CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515415913 566711666 /nfs/dbraw/zinc/71/16/66/566711666.db2.gz XWOFUOUAEVAKFQ-HIFRSBDPSA-N 1 0 387.267 3.070 20 5 GGBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[NH+]2CCC1CC2 ZINC000468594476 566713494 /nfs/dbraw/zinc/71/34/94/566713494.db2.gz FYANCRUAKNAURF-UHFFFAOYSA-N 1 0 377.242 3.190 20 5 GGBDRO CCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000561563970 566721796 /nfs/dbraw/zinc/72/17/96/566721796.db2.gz UZLCXMYETDOXBN-UHFFFAOYSA-N 1 0 389.905 3.135 20 5 GGBDRO Cc1c(Br)c(N2CC[C@H](C3CC[NH+](C)CC3)C2)ncc1[N+](=O)[O-] ZINC000541575990 566734775 /nfs/dbraw/zinc/73/47/75/566734775.db2.gz OYBRAQWYXSBEJA-ZDUSSCGKSA-N 1 0 383.290 3.229 20 5 GGBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000451102873 566758629 /nfs/dbraw/zinc/75/86/29/566758629.db2.gz FMSNNGIZCXZEGS-BLLLJJGKSA-N 1 0 395.253 3.448 20 5 GGBDRO CCCC[N@H+](C)CCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000562067962 566762649 /nfs/dbraw/zinc/76/26/49/566762649.db2.gz CDIRNYZXYQFDQA-UHFFFAOYSA-N 1 0 391.253 3.021 20 5 GGBDRO CC[NH+](CC)C[C@@H](C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000516516020 566765598 /nfs/dbraw/zinc/76/55/98/566765598.db2.gz DLBWNYINBCPUMT-LLVKDONJSA-N 1 0 391.253 3.019 20 5 GGBDRO CC(C)[N@@H+]1CC[C@@H](CNc2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000609560675 566770230 /nfs/dbraw/zinc/77/02/30/566770230.db2.gz JLBXMPJFHHCYRB-LBPRGKRZSA-N 1 0 393.285 3.470 20 5 GGBDRO C[C@@H]1CC([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000516606634 566772523 /nfs/dbraw/zinc/77/25/23/566772523.db2.gz OKGHSCHXEJFFBK-NXEZZACHSA-N 1 0 390.221 3.245 20 5 GGBDRO CS(=O)(=O)c1ccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000469274639 566777978 /nfs/dbraw/zinc/77/79/78/566777978.db2.gz RJNPTLFVYOWSEP-HNNXBMFYSA-N 1 0 380.491 3.171 20 5 GGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CCCCS2(=O)=O)s1 ZINC000542311784 566793093 /nfs/dbraw/zinc/79/30/93/566793093.db2.gz WHUXOYDGVNDJGI-CQSZACIVSA-N 1 0 380.491 3.380 20 5 GGBDRO Cc1c(Br)c(N2CC[C@@H](C[N@H+](C)CC3CC3)C2)ncc1[N+](=O)[O-] ZINC000542507663 566806903 /nfs/dbraw/zinc/80/69/03/566806903.db2.gz SFOISIWBEJBQLO-ZDUSSCGKSA-N 1 0 383.290 3.229 20 5 GGBDRO Cc1ccc(Br)cc1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000517130200 566807326 /nfs/dbraw/zinc/80/73/26/566807326.db2.gz REJTVCNUQNXNGD-OAHLLOKOSA-N 1 0 395.253 3.195 20 5 GGBDRO Cc1ccc(Br)cc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000517130199 566808078 /nfs/dbraw/zinc/80/80/78/566808078.db2.gz REJTVCNUQNXNGD-HNNXBMFYSA-N 1 0 395.253 3.195 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(Br)c(F)c2)c1 ZINC000581997910 566821395 /nfs/dbraw/zinc/82/13/95/566821395.db2.gz JHTRWAQXYZONMA-ZDUSSCGKSA-N 1 0 399.216 3.026 20 5 GGBDRO Cc1c(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)sc2ccc(Cl)cc12 ZINC000582057825 566826629 /nfs/dbraw/zinc/82/66/29/566826629.db2.gz GRXNMZRCQKQINZ-ZDUSSCGKSA-N 1 0 380.857 3.119 20 5 GGBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H](CCO)c1ccccc1Br ZINC000542881582 566833875 /nfs/dbraw/zinc/83/38/75/566833875.db2.gz JUTWREPBFZOILY-OAHLLOKOSA-N 1 0 395.253 3.449 20 5 GGBDRO Cc1cccn2cc(CCNc3ncc([N+](=O)[O-])cc3Br)nc12 ZINC000610512615 566838369 /nfs/dbraw/zinc/83/83/69/566838369.db2.gz XKONWABBJUXVKN-UHFFFAOYSA-N 1 0 376.214 3.363 20 5 GGBDRO Cc1ccc(Br)c(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000563007216 566843308 /nfs/dbraw/zinc/84/33/08/566843308.db2.gz GHYKLTQDLGNBEL-CQSZACIVSA-N 1 0 395.253 3.195 20 5 GGBDRO CSCc1cccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000563013159 566844063 /nfs/dbraw/zinc/84/40/63/566844063.db2.gz GWSWCIIQXXMPDJ-UHFFFAOYSA-N 1 0 380.491 3.021 20 5 GGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)cs1 ZINC000428536107 566853143 /nfs/dbraw/zinc/85/31/43/566853143.db2.gz MEKHYBOKTVKXQM-LBPRGKRZSA-N 1 0 385.283 3.360 20 5 GGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)cc1 ZINC000428532072 566853231 /nfs/dbraw/zinc/85/32/31/566853231.db2.gz GGAISLREZAOTIS-HNNXBMFYSA-N 1 0 379.254 3.298 20 5 GGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)c(F)c1 ZINC000428546244 566857054 /nfs/dbraw/zinc/85/70/54/566857054.db2.gz XDRNFWBZVVWQSW-CYBMUJFWSA-N 1 0 397.244 3.437 20 5 GGBDRO O=[N+]([O-])c1cc(Br)cnc1N1CCC(C[NH+]2CCCCC2)CC1 ZINC000610769823 566861508 /nfs/dbraw/zinc/86/15/08/566861508.db2.gz LWWYLGJWSAAKJA-UHFFFAOYSA-N 1 0 383.290 3.455 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CCCCS3(=O)=O)s2)cc1 ZINC000543241045 566865219 /nfs/dbraw/zinc/86/52/19/566865219.db2.gz YXARTUADRJUQNR-MRXNPFEDSA-N 1 0 380.491 3.380 20 5 GGBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccc(C(F)(F)F)s2)cc1 ZINC000428863263 566886315 /nfs/dbraw/zinc/88/63/15/566886315.db2.gz XNCSBGNITCZMSO-UHFFFAOYSA-N 1 0 394.396 3.239 20 5 GGBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000429005256 566898068 /nfs/dbraw/zinc/89/80/68/566898068.db2.gz RTQVUINIEQQJII-INIZCTEOSA-N 1 0 399.216 3.198 20 5 GGBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000518658824 566898465 /nfs/dbraw/zinc/89/84/65/566898465.db2.gz UILINFKHJKYDMH-GFCCVEGCSA-N 1 0 389.905 3.037 20 5 GGBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000429038544 566904807 /nfs/dbraw/zinc/90/48/07/566904807.db2.gz WZIPWDIBFWFHBU-CQSZACIVSA-N 1 0 399.216 3.198 20 5 GGBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCOCC2CCC2)c1 ZINC000582934531 566907035 /nfs/dbraw/zinc/90/70/35/566907035.db2.gz VQUOWWZUBFLSMS-UHFFFAOYSA-N 1 0 390.221 3.106 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@@H]4C[NH2+]C[C@H]4C3)o2)c(Br)c1 ZINC000611287849 566907856 /nfs/dbraw/zinc/90/78/56/566907856.db2.gz WTOHPEGWKZRJPJ-RYUDHWBXSA-N 1 0 392.253 3.269 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)NC[C@H]([NH3+])C(C)C)cc2[N+](=O)[O-])n1 ZINC000429172524 566913372 /nfs/dbraw/zinc/91/33/72/566913372.db2.gz REHXXZYBELLDGL-LBPRGKRZSA-N 1 0 380.495 3.224 20 5 GGBDRO CC(C)(CCCO)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000563756740 566915387 /nfs/dbraw/zinc/91/53/87/566915387.db2.gz SFIXWWIVZZXHSJ-UHFFFAOYSA-N 1 0 392.237 3.088 20 5 GGBDRO CC1(C)Cc2ccc(Br)cc2[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000429293832 566920844 /nfs/dbraw/zinc/92/08/44/566920844.db2.gz MJIBHVNXIJBCEH-HNNXBMFYSA-N 1 0 379.258 3.467 20 5 GGBDRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000452101344 566934684 /nfs/dbraw/zinc/93/46/84/566934684.db2.gz GFICPBKVZNDBGS-LLVKDONJSA-N 1 0 396.296 3.005 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N[C@H](C)C[C@H](C)[NH3+])cc2[N+](=O)[O-])n1 ZINC000564087305 566944055 /nfs/dbraw/zinc/94/40/55/566944055.db2.gz MNCGWFQGRNTTKF-VHSXEESVSA-N 1 0 380.495 3.367 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000452175157 566948027 /nfs/dbraw/zinc/94/80/27/566948027.db2.gz SBHDAVPJYZRXRD-NSHDSACASA-N 1 0 396.285 3.222 20 5 GGBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2CCCSC2)c1 ZINC000583593475 566966597 /nfs/dbraw/zinc/96/65/97/566966597.db2.gz BMFLENLGBWBHKK-NSHDSACASA-N 1 0 378.235 3.185 20 5 GGBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000519767114 566966598 /nfs/dbraw/zinc/96/65/98/566966598.db2.gz GDTUOVICLUHGQY-QWHCGFSZSA-N 1 0 383.901 3.188 20 5 GGBDRO CC[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000564390278 566970341 /nfs/dbraw/zinc/97/03/41/566970341.db2.gz LANQNFLTRQCDSE-KBPBESRZSA-N 1 0 390.221 3.247 20 5 GGBDRO C[NH+](C)C1(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCCCC1 ZINC000429978543 566972301 /nfs/dbraw/zinc/97/23/01/566972301.db2.gz ZPLVRCNQZQIRJU-UHFFFAOYSA-N 1 0 384.274 3.352 20 5 GGBDRO CC(C)OCCCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000564408089 566973070 /nfs/dbraw/zinc/97/30/70/566973070.db2.gz UFGHLWGLQJUOJR-UHFFFAOYSA-N 1 0 392.237 3.494 20 5 GGBDRO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000564409819 566974630 /nfs/dbraw/zinc/97/46/30/566974630.db2.gz CFDYLMKDMNMBQI-RISCZKNCSA-N 1 0 390.221 3.104 20 5 GGBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000431326702 567075437 /nfs/dbraw/zinc/07/54/37/567075437.db2.gz NSOBKBPDXLFRLF-CYBMUJFWSA-N 1 0 396.285 3.161 20 5 GGBDRO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431507084 567086449 /nfs/dbraw/zinc/08/64/49/567086449.db2.gz RDQVTKSHPRKCER-OAHLLOKOSA-N 1 0 396.285 3.352 20 5 GGBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCc3c2cccc3Cl)cc1 ZINC000565677876 567089391 /nfs/dbraw/zinc/08/93/91/567089391.db2.gz KZBRIVFXUWVRJH-QGZVFWFLSA-N 1 0 380.853 3.299 20 5 GGBDRO C[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000431641684 567099304 /nfs/dbraw/zinc/09/93/04/567099304.db2.gz WQBBYTSTIYAHIE-NEPJUHHUSA-N 1 0 384.274 3.350 20 5 GGBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431954739 567120169 /nfs/dbraw/zinc/12/01/69/567120169.db2.gz ZMCCAVYTOGQHBO-AWEZNQCLSA-N 1 0 384.274 3.352 20 5 GGBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCC(F)(F)CC1 ZINC000474055452 567129375 /nfs/dbraw/zinc/12/93/75/567129375.db2.gz PGVHUNJTGTXSLQ-GFCCVEGCSA-N 1 0 376.425 3.172 20 5 GGBDRO Cc1c(Br)cc(C(=O)NCC[N@H+]2CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000546577864 567139486 /nfs/dbraw/zinc/13/94/86/567139486.db2.gz WOUXPAJBASPHHQ-UHFFFAOYSA-N 1 0 382.258 3.048 20 5 GGBDRO CNC(=O)[C@H](CCSC)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000588931874 567146071 /nfs/dbraw/zinc/14/60/71/567146071.db2.gz BFLNOQYEYWPMAZ-AWEZNQCLSA-N 1 0 379.507 3.281 20 5 GGBDRO CC[NH+](CC)CCSCC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498159612 567156199 /nfs/dbraw/zinc/15/61/99/567156199.db2.gz QONGASFHFBZGHS-QGZVFWFLSA-N 1 0 383.539 3.244 20 5 GGBDRO CCC[C@@H](CCO)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000566531859 567165286 /nfs/dbraw/zinc/16/52/86/567165286.db2.gz GJJBWDOKFUHNGF-NSHDSACASA-N 1 0 392.237 3.088 20 5 GGBDRO COC(=O)COc1ccc(C[NH2+]CCc2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC000474343731 567160305 /nfs/dbraw/zinc/16/03/05/567160305.db2.gz DVTUGKYTAQNLBC-UHFFFAOYSA-N 1 0 384.841 3.194 20 5 GGBDRO C[C@@H](C[C@@H]1CCOC1)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589314601 567174441 /nfs/dbraw/zinc/17/44/41/567174441.db2.gz FJLVATFDOICVLH-QWRGUYRKSA-N 1 0 390.221 3.104 20 5 GGBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cc(C(F)(F)F)ccc2Br)c1 ZINC000589315654 567175140 /nfs/dbraw/zinc/17/51/40/567175140.db2.gz LOXGFSUHBYWFAM-UHFFFAOYSA-N 1 0 393.163 3.362 20 5 GGBDRO C[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000589316928 567175463 /nfs/dbraw/zinc/17/54/63/567175463.db2.gz XSGVPKICHLZQGG-HZMBPMFUSA-N 1 0 390.221 3.247 20 5 GGBDRO C[N@@H+]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000432753780 567186331 /nfs/dbraw/zinc/18/63/31/567186331.db2.gz WRONRBNZSMLPQL-UHFFFAOYSA-N 1 0 396.285 3.448 20 5 GGBDRO C[NH+](C)C1(CNc2ncc(Br)cc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000474786857 567199007 /nfs/dbraw/zinc/19/90/07/567199007.db2.gz WXRQKMWIYFFIKE-UHFFFAOYSA-N 1 0 391.269 3.263 20 5 GGBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000590536883 567230756 /nfs/dbraw/zinc/23/07/56/567230756.db2.gz CMTMBWAIPWVGHX-LBPRGKRZSA-N 1 0 384.274 3.222 20 5 GGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](CCO)c2ccccc2Br)cc1 ZINC000567303608 567234603 /nfs/dbraw/zinc/23/46/03/567234603.db2.gz ZHTJOKJJWHLHDO-KRWDZBQOSA-N 1 0 395.253 3.449 20 5 GGBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000547788904 567247147 /nfs/dbraw/zinc/24/71/47/567247147.db2.gz ZJSNUKCPTOAGFS-CQSZACIVSA-N 1 0 389.283 3.256 20 5 GGBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000547788903 567247226 /nfs/dbraw/zinc/24/72/26/567247226.db2.gz ZJSNUKCPTOAGFS-AWEZNQCLSA-N 1 0 389.283 3.256 20 5 GGBDRO C[NH+](C)CCOc1cnccc1CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000567511243 567253391 /nfs/dbraw/zinc/25/33/91/567253391.db2.gz KWUYKLJQZNOOTD-UHFFFAOYSA-N 1 0 395.257 3.305 20 5 GGBDRO Cc1cccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1Br ZINC000567701639 567269001 /nfs/dbraw/zinc/26/90/01/567269001.db2.gz HHEDRPRZIPDFBW-AWEZNQCLSA-N 1 0 395.253 3.195 20 5 GGBDRO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000567795714 567278433 /nfs/dbraw/zinc/27/84/33/567278433.db2.gz KASYVMZZQXUVTF-CQSZACIVSA-N 1 0 390.221 3.200 20 5 GGBDRO C[N@@H+]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000433966429 567285652 /nfs/dbraw/zinc/28/56/52/567285652.db2.gz HZZJILPJKDCCMO-UHFFFAOYSA-N 1 0 396.285 3.448 20 5 GGBDRO O=[N+]([O-])c1cc(Br)ccc1CN1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000591840790 567300966 /nfs/dbraw/zinc/30/09/66/567300966.db2.gz PZRIWPPTYNKAGS-INIZCTEOSA-N 1 0 398.301 3.044 20 5 GGBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434443188 567308414 /nfs/dbraw/zinc/30/84/14/567308414.db2.gz VLHDUJBCCKCTCF-CQSZACIVSA-N 1 0 383.901 3.473 20 5 GGBDRO O=[N+]([O-])c1cncc(Br)c1NCc1ccccc1C[NH+]1CCCC1 ZINC000500263337 567310650 /nfs/dbraw/zinc/31/06/50/567310650.db2.gz SJQPBKFFLDHMFV-UHFFFAOYSA-N 1 0 391.269 3.382 20 5 GGBDRO COc1ccc(C[C@@](C)([NH3+])CNc2ncc(Br)cc2[N+](=O)[O-])cc1 ZINC000500274721 567311152 /nfs/dbraw/zinc/31/11/52/567311152.db2.gz LPFWCNGGSLXQPG-MRXNPFEDSA-N 1 0 395.257 3.133 20 5 GGBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592254579 567324631 /nfs/dbraw/zinc/32/46/31/567324631.db2.gz HLJGZOCOGNGZTB-OLZOCXBDSA-N 1 0 396.285 3.209 20 5 GGBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592254797 567325094 /nfs/dbraw/zinc/32/50/94/567325094.db2.gz JPLFYORFJVPRAZ-QWHCGFSZSA-N 1 0 396.285 3.209 20 5 GGBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592256356 567326225 /nfs/dbraw/zinc/32/62/25/567326225.db2.gz YFHRZMKOQWPMIX-OLZOCXBDSA-N 1 0 396.285 3.209 20 5 GGBDRO CCCN(C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000592829770 567368458 /nfs/dbraw/zinc/36/84/58/567368458.db2.gz YJBXERFDNANUSQ-ZDUSSCGKSA-N 1 0 384.274 3.222 20 5 GGBDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000593070490 567383724 /nfs/dbraw/zinc/38/37/24/567383724.db2.gz QTFJSJCWEYQNEJ-ZIAGYGMSSA-N 1 0 390.221 3.247 20 5 GGBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CC1 ZINC000456523680 567388799 /nfs/dbraw/zinc/38/87/99/567388799.db2.gz FOIXZFGFNPGSIF-NSHDSACASA-N 1 0 384.274 3.222 20 5 GGBDRO C[NH+](C)[C@@H]1CCCN(c2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000549566000 567399184 /nfs/dbraw/zinc/39/91/84/567399184.db2.gz ZLZYVXOHSMKVLP-GFCCVEGCSA-N 1 0 389.237 3.120 20 5 GGBDRO C[C@@H](COCC1CC1)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000593682537 567434747 /nfs/dbraw/zinc/43/47/47/567434747.db2.gz SQMKHXRIQZNYJA-JTQLQIEISA-N 1 0 390.221 3.104 20 5 GGBDRO C[C@H]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593730281 567437891 /nfs/dbraw/zinc/43/78/91/567437891.db2.gz HFAZWXBABGRSAJ-CABZTGNLSA-N 1 0 396.296 3.040 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000550291416 567438940 /nfs/dbraw/zinc/43/89/40/567438940.db2.gz BLYAIUBHZYGMAP-CYBMUJFWSA-N 1 0 386.290 3.372 20 5 GGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)COc2ccccc2Br)c(F)c1 ZINC000478203523 567441863 /nfs/dbraw/zinc/44/18/63/567441863.db2.gz IYPAMXRAQFXBBV-ZDUSSCGKSA-N 1 0 399.216 3.026 20 5 GGBDRO Cc1c(Br)cc(C(=O)N(C)CC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000593883453 567444545 /nfs/dbraw/zinc/44/45/45/567444545.db2.gz ONZUUVGEGDRVHP-UHFFFAOYSA-N 1 0 384.274 3.224 20 5 GGBDRO Cc1c(Br)cc(C(=O)NCCCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000457172183 567446989 /nfs/dbraw/zinc/44/69/89/567446989.db2.gz TXGOBNMWWSCCJG-UHFFFAOYSA-N 1 0 384.274 3.270 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594198081 567464197 /nfs/dbraw/zinc/46/41/97/567464197.db2.gz RITLCQDSGSSYAW-JKSUJKDBSA-N 1 0 396.285 3.412 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594197876 567464350 /nfs/dbraw/zinc/46/43/50/567464350.db2.gz RITLCQDSGSSYAW-CVEARBPZSA-N 1 0 396.285 3.412 20 5 GGBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1sc(Br)cc1[N+](=O)[O-] ZINC000594195939 567465072 /nfs/dbraw/zinc/46/50/72/567465072.db2.gz JEHQNAHIHQTDME-VHSXEESVSA-N 1 0 388.287 3.166 20 5 GGBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(Br)cc1[N+](=O)[O-] ZINC000594196071 567465420 /nfs/dbraw/zinc/46/54/20/567465420.db2.gz KPGRPXRUPKUQDF-KBPBESRZSA-N 1 0 382.258 3.104 20 5 GGBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594198080 567465464 /nfs/dbraw/zinc/46/54/64/567465464.db2.gz RITLCQDSGSSYAW-HZPDHXFCSA-N 1 0 396.285 3.412 20 5 GGBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000594389889 567472495 /nfs/dbraw/zinc/47/24/95/567472495.db2.gz PQJMJLHQRKAGIR-UHFFFAOYSA-N 1 0 384.274 3.304 20 5 GGBDRO C[C@@H](Cc1ccccn1)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000594517616 567483988 /nfs/dbraw/zinc/48/39/88/567483988.db2.gz KSEKFCGQXPHHCR-NSHDSACASA-N 1 0 397.216 3.315 20 5 GGBDRO COc1ccc(C[NH2+]Cc2cccc(I)c2)cc1[N+](=O)[O-] ZINC000551185059 567485933 /nfs/dbraw/zinc/48/59/33/567485933.db2.gz MTKFYQLSZRMZNJ-UHFFFAOYSA-N 1 0 398.200 3.498 20 5 GGBDRO Cc1ccc(SCC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000570479592 567488749 /nfs/dbraw/zinc/48/87/49/567488749.db2.gz JTPLIFGQGKXXSL-UHFFFAOYSA-N 1 0 380.491 3.059 20 5 GGBDRO CCC[C@@]1([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCOC1 ZINC000570487826 567489302 /nfs/dbraw/zinc/48/93/02/567489302.db2.gz XREJOOCMLRSHOU-CQSZACIVSA-N 1 0 390.221 3.248 20 5 GGBDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]1OC(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000503526111 567491354 /nfs/dbraw/zinc/49/13/54/567491354.db2.gz MMDJPAOGQHSFSF-BZHVJNSISA-N 1 0 377.775 3.325 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[NH2+]C2(CCCCC2)C1 ZINC000594629038 567492350 /nfs/dbraw/zinc/49/23/50/567492350.db2.gz XOAONYYUVGPFIR-UHFFFAOYSA-N 1 0 396.285 3.035 20 5 GGBDRO Cn1ccnc1N1CCC(Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000503562704 567493824 /nfs/dbraw/zinc/49/38/24/567493824.db2.gz MAJUIDZUGZLDKZ-UHFFFAOYSA-N 1 0 380.246 3.172 20 5 GGBDRO CC(C)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000570564527 567495972 /nfs/dbraw/zinc/49/59/72/567495972.db2.gz SXKALBRMFATWMV-CYBMUJFWSA-N 1 0 387.267 3.026 20 5 GGBDRO CS[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000437928858 567514834 /nfs/dbraw/zinc/51/48/34/567514834.db2.gz GKCJZPQEQCUUPF-CABCVRRESA-N 1 0 384.889 3.292 20 5 GGBDRO CC(C)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1c(Cl)cccc1Cl ZINC000570920232 567523560 /nfs/dbraw/zinc/52/35/60/567523560.db2.gz DXIOJWPPJBZNPW-GFCCVEGCSA-N 1 0 387.267 3.026 20 5 GGBDRO CC(C)(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1c(Cl)cccc1Cl ZINC000570920234 567523916 /nfs/dbraw/zinc/52/39/16/567523916.db2.gz DXIOJWPPJBZNPW-LBPRGKRZSA-N 1 0 387.267 3.026 20 5 GGBDRO C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000594960739 567529581 /nfs/dbraw/zinc/52/95/81/567529581.db2.gz KODNXWRRQPVJON-CCLKGCNTSA-N 1 0 379.507 3.498 20 5 GGBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000458198256 567530084 /nfs/dbraw/zinc/53/00/84/567530084.db2.gz GYDYLEFQMMMDHH-UHFFFAOYSA-N 1 0 379.507 3.339 20 5 GGBDRO C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000594960744 567530325 /nfs/dbraw/zinc/53/03/25/567530325.db2.gz KODNXWRRQPVJON-RMKYTRAYSA-N 1 0 379.507 3.498 20 5 GGBDRO C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000595346948 567556278 /nfs/dbraw/zinc/55/62/78/567556278.db2.gz YYMMTYUPKYEOEH-NSHDSACASA-N 1 0 396.296 3.006 20 5 GGBDRO CO[C@@H]1C[C@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1(C)C ZINC000571452152 567563937 /nfs/dbraw/zinc/56/39/37/567563937.db2.gz OJSIRCHMJGAZSY-QWHCGFSZSA-N 1 0 390.221 3.103 20 5 GGBDRO O=[N+]([O-])c1cc(Br)ccc1CN1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000595471710 567566324 /nfs/dbraw/zinc/56/63/24/567566324.db2.gz DHSXARMFVYRNPY-MRXNPFEDSA-N 1 0 398.301 3.044 20 5 GGBDRO C[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1cc[nH]c(=O)c1 ZINC000571534656 567570286 /nfs/dbraw/zinc/57/02/86/567570286.db2.gz WLBDKWMTRZNGDY-SECBINFHSA-N 1 0 399.188 3.151 20 5 GGBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@H](C1CC1)C1(CO)CCOCC1 ZINC000595587988 567572458 /nfs/dbraw/zinc/57/24/58/567572458.db2.gz JYWYKUYQBRDAEP-MRXNPFEDSA-N 1 0 399.285 3.015 20 5 GGBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H](C1CC1)C1(CO)CCOCC1 ZINC000595587987 567572718 /nfs/dbraw/zinc/57/27/18/567572718.db2.gz JYWYKUYQBRDAEP-INIZCTEOSA-N 1 0 399.285 3.015 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000552337687 567579107 /nfs/dbraw/zinc/57/91/07/567579107.db2.gz XQAHDRLFHJGDJB-SMDDNHRTSA-N 1 0 396.285 3.365 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000552337686 567579278 /nfs/dbraw/zinc/57/92/78/567579278.db2.gz XQAHDRLFHJGDJB-RISCZKNCSA-N 1 0 396.285 3.365 20 5 GGBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000505663255 567589652 /nfs/dbraw/zinc/58/96/52/567589652.db2.gz YHLYOZMTQHBFFM-KRWDZBQOSA-N 1 0 383.901 3.285 20 5 GGBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595935889 567594888 /nfs/dbraw/zinc/59/48/88/567594888.db2.gz JBZBCMKYIGIVLL-ZDUSSCGKSA-N 1 0 396.285 3.209 20 5 GGBDRO CCN1CC[NH+](C[C@@H](C)CNc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596081625 567606833 /nfs/dbraw/zinc/60/68/33/567606833.db2.gz IIIUXAZJXCXSHG-ZDUSSCGKSA-N 1 0 385.306 3.043 20 5 GGBDRO O=[N+]([O-])c1cccc(Br)c1NCC1([NH+]2CCCC2)CCOCC1 ZINC000596113994 567610360 /nfs/dbraw/zinc/61/03/60/567610360.db2.gz GVEPVWIISPCJAP-UHFFFAOYSA-N 1 0 384.274 3.414 20 5 GGBDRO O=[N+]([O-])c1cncc(Cl)c1Sc1nnc([C@@H]2CCC[NH2+]C2)n1C1CC1 ZINC000596131296 567611964 /nfs/dbraw/zinc/61/19/64/567611964.db2.gz LIWQVOBFALJAGA-SECBINFHSA-N 1 0 380.861 3.188 20 5 GGBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)N(C)C ZINC000530967571 567634134 /nfs/dbraw/zinc/63/41/34/567634134.db2.gz BGGAMSQCPYNBDM-SNVBAGLBSA-N 1 0 396.241 3.184 20 5 GGBDRO Cc1c(Br)c(NC[C@H]2CCC[N@H+](CC3CC3)C2)ncc1[N+](=O)[O-] ZINC000596569711 567641799 /nfs/dbraw/zinc/64/17/99/567641799.db2.gz CUJDUVDCCPFXGI-CYBMUJFWSA-N 1 0 383.290 3.017 20 5 GGBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000506944501 567650562 /nfs/dbraw/zinc/65/05/62/567650562.db2.gz LSBVNBIPNODXJY-UHFFFAOYSA-N 1 0 381.782 3.339 20 5 GGBDRO C[C@H]1CSCCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000572608023 567652174 /nfs/dbraw/zinc/65/21/74/567652174.db2.gz QTMFCSOHPGOMRL-VIFPVBQESA-N 1 0 378.235 3.137 20 5 GGBDRO CCC[NH+]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC000506995703 567653063 /nfs/dbraw/zinc/65/30/63/567653063.db2.gz UIIOKDPSLVBIJD-UHFFFAOYSA-N 1 0 379.258 3.438 20 5 GGBDRO CO[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000459756290 567658684 /nfs/dbraw/zinc/65/86/84/567658684.db2.gz NXOCCTUHEOUDRV-GOEBONIOSA-N 1 0 397.225 3.121 20 5 GGBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000553693566 567676453 /nfs/dbraw/zinc/67/64/53/567676453.db2.gz DJCDMVXDTMIQMX-LBPRGKRZSA-N 1 0 384.274 3.270 20 5 GGBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000554128688 567711130 /nfs/dbraw/zinc/71/11/30/567711130.db2.gz QFZDRTPXSUIFFU-ZOWXZIJZSA-N 1 0 396.285 3.160 20 5 GGBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000554128686 567711601 /nfs/dbraw/zinc/71/16/01/567711601.db2.gz QFZDRTPXSUIFFU-SLEUVZQESA-N 1 0 396.285 3.160 20 5 GGBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000597709742 567712344 /nfs/dbraw/zinc/71/23/44/567712344.db2.gz AUXTUXZOPZFWLB-KRWDZBQOSA-N 1 0 383.901 3.285 20 5 GGBDRO Cc1c(Br)cc(C(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000597710448 567712931 /nfs/dbraw/zinc/71/29/31/567712931.db2.gz MKIGARQAIZCMQA-KRWDZBQOSA-N 1 0 396.285 3.224 20 5 GGBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000597860974 567720775 /nfs/dbraw/zinc/72/07/75/567720775.db2.gz QMWDJDGGBLHTOB-NSHDSACASA-N 1 0 384.274 3.208 20 5 GGBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000597860973 567721242 /nfs/dbraw/zinc/72/12/42/567721242.db2.gz QMWDJDGGBLHTOB-LLVKDONJSA-N 1 0 384.274 3.208 20 5 GGBDRO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000598220550 567748011 /nfs/dbraw/zinc/74/80/11/567748011.db2.gz QMRCCCWBXFYZPY-ZDUSSCGKSA-N 1 0 396.285 3.494 20 5 GGBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000598260347 567752350 /nfs/dbraw/zinc/75/23/50/567752350.db2.gz AZZSVTCOLJVEDD-GFCCVEGCSA-N 1 0 384.274 3.208 20 5 GGBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000443504574 567764493 /nfs/dbraw/zinc/76/44/93/567764493.db2.gz YCYXAHNVLMIKHG-WDEREUQCSA-N 1 0 379.258 3.434 20 5 GGBDRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000598542007 567775121 /nfs/dbraw/zinc/77/51/21/567775121.db2.gz QAWYQUMJAYQJEC-UHFFFAOYSA-N 1 0 396.285 3.209 20 5 GGBDRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000598561338 567776562 /nfs/dbraw/zinc/77/65/62/567776562.db2.gz PUWAIYBCPDQGAB-ZDUSSCGKSA-N 1 0 396.285 3.209 20 5 GGBDRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000598562991 567776671 /nfs/dbraw/zinc/77/66/71/567776671.db2.gz YOXWCOWALBDOPA-ZDUSSCGKSA-N 1 0 396.285 3.209 20 5 GGBDRO C[C@@H](SCC[NH+](C)C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000533807054 567788717 /nfs/dbraw/zinc/78/87/17/567788717.db2.gz PGHUHBRCCHVSKD-LLVKDONJSA-N 1 0 380.495 3.340 20 5 GGBDRO CC(C)C[NH+]1CCC(NC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599186338 567809415 /nfs/dbraw/zinc/80/94/15/567809415.db2.gz YYJXNJMDWXYNSF-UHFFFAOYSA-N 1 0 384.274 3.208 20 5 GGBDRO C[C@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000599184163 567809452 /nfs/dbraw/zinc/80/94/52/567809452.db2.gz IUNLGKRMGNDVLL-GFCCVEGCSA-N 1 0 384.274 3.208 20 5 GGBDRO C[C@@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000599184165 567809476 /nfs/dbraw/zinc/80/94/76/567809476.db2.gz IUNLGKRMGNDVLL-LBPRGKRZSA-N 1 0 384.274 3.208 20 5 GGBDRO CCC(CC)[C@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000012561768 570866226 /nfs/dbraw/zinc/86/62/26/570866226.db2.gz FIVLSSMMUUMKDC-SFHVURJKSA-N 1 0 383.514 3.311 20 5 GGBDRO CC[NH+]1CCN(Cc2ccccc2CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000032916246 570927799 /nfs/dbraw/zinc/92/77/99/570927799.db2.gz CVDUVOIRVPCMHU-UHFFFAOYSA-N 1 0 399.451 3.253 20 5 GGBDRO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736205786 599168432 /nfs/dbraw/zinc/16/84/32/599168432.db2.gz ZDMKXFZQXBJCFI-AWEZNQCLSA-N 1 0 393.451 3.412 20 5 GGBDRO CC[NH+](CC)Cc1ccccc1CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821198867 599327223 /nfs/dbraw/zinc/32/72/23/599327223.db2.gz XADMPFSMZGLPHE-UHFFFAOYSA-N 1 0 381.440 3.229 20 5 GGBDRO C[N@@H+]1CCC[C@H](CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000821623493 599581686 /nfs/dbraw/zinc/58/16/86/599581686.db2.gz MBRYVEQOBQKTGK-CXAGYDPISA-N 1 0 399.480 3.331 20 5 GGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000820571124 599635985 /nfs/dbraw/zinc/63/59/85/599635985.db2.gz WAUYYZLYPZKAOT-OAHLLOKOSA-N 1 0 393.451 3.048 20 5 GGBDRO C[C@@H]1C[C@@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000820669138 606199361 /nfs/dbraw/zinc/19/93/61/606199361.db2.gz YWQMNHCEGRZQAP-PBHICJAKSA-N 1 0 393.451 3.240 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000826500185 607817355 /nfs/dbraw/zinc/81/73/55/607817355.db2.gz NWAAUFOUCOHMDF-FZKQIMNGSA-N 1 0 396.426 3.415 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000826500434 608285133 /nfs/dbraw/zinc/28/51/33/608285133.db2.gz YHVPNKQQHUWGNB-SCLBCKFNSA-N 1 0 396.426 3.415 20 5 GGBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826498139 608462875 /nfs/dbraw/zinc/46/28/75/608462875.db2.gz IQQYUKUCWFZOCF-UHFFFAOYSA-N 1 0 376.420 3.107 20 5 GGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000824332931 608485853 /nfs/dbraw/zinc/48/58/53/608485853.db2.gz AYHDWRAIKZEUSH-ZDUSSCGKSA-N 1 0 382.424 3.413 20 5 GGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825127807 608493125 /nfs/dbraw/zinc/49/31/25/608493125.db2.gz OLPWBQYPYXSERX-OAHLLOKOSA-N 1 0 384.465 3.435 20 5 GGBDRO Cn1cc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000052958247 1406243381 /nfs/dbraw/zinc/24/33/81/1406243381.db2.gz BZJLWQUYCJSASJ-MRXNPFEDSA-N 1 0 399.476 3.090 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000053233889 1406337573 /nfs/dbraw/zinc/33/75/73/1406337573.db2.gz VREBHNUHJDBLKK-PZJWPPBQSA-N 1 0 386.448 3.016 20 5 GGBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000053370959 1406379655 /nfs/dbraw/zinc/37/96/55/1406379655.db2.gz FABZLMFLBNAASY-MRXNPFEDSA-N 1 0 385.468 3.022 20 5 GGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000053417532 1406388827 /nfs/dbraw/zinc/38/88/27/1406388827.db2.gz VGKVPFIEDJDNIB-IAGOWNOFSA-N 1 0 399.495 3.268 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(OCC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)c1 ZINC000053542930 1406436160 /nfs/dbraw/zinc/43/61/60/1406436160.db2.gz LUKFQNATHGJDAD-UHFFFAOYSA-N 1 0 397.475 3.325 20 5 GGBDRO CNC(=O)c1ccc(NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000053550367 1406439430 /nfs/dbraw/zinc/43/94/30/1406439430.db2.gz MLXKZUGLUNAWNR-IBGZPJMESA-N 1 0 398.463 3.212 20 5 GGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000053812673 1406521638 /nfs/dbraw/zinc/52/16/38/1406521638.db2.gz TWAASDTZOPUHBQ-HZPDHXFCSA-N 1 0 399.495 3.093 20 5 GGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000053812671 1406521670 /nfs/dbraw/zinc/52/16/70/1406521670.db2.gz TWAASDTZOPUHBQ-IYBDPMFKSA-N 1 0 399.495 3.093 20 5 GGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000053990705 1406578719 /nfs/dbraw/zinc/57/87/19/1406578719.db2.gz WMPSTLGDTMXJSN-UHFFFAOYSA-N 1 0 386.477 3.106 20 5 GGBDRO COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)[NH+]2CCCC2)cc1 ZINC000054057128 1406605080 /nfs/dbraw/zinc/60/50/80/1406605080.db2.gz SYZGKKVOGCQDOZ-LJQANCHMSA-N 1 0 387.411 3.309 20 5 GGBDRO C[C@H]1CCC[C@](CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)([NH+](C)C)C1 ZINC000054140772 1406629991 /nfs/dbraw/zinc/62/99/91/1406629991.db2.gz SEGCESNBYQIMDR-BTYIYWSLSA-N 1 0 399.495 3.236 20 5 GGBDRO C[N@H+](CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Cc1ccccc1 ZINC000054281504 1406676660 /nfs/dbraw/zinc/67/66/60/1406676660.db2.gz GQNTUJKUVRQAPC-UHFFFAOYSA-N 1 0 399.494 3.403 20 5 GGBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000054286993 1406681926 /nfs/dbraw/zinc/68/19/26/1406681926.db2.gz MSIKBOVLIARODN-MRXNPFEDSA-N 1 0 388.512 3.435 20 5 GGBDRO CCOc1cc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000054286729 1406681974 /nfs/dbraw/zinc/68/19/74/1406681974.db2.gz JHMMGFJLNNVJFP-AWEZNQCLSA-N 1 0 393.484 3.242 20 5 GGBDRO CC(C)NC(=O)c1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000054359409 1406700322 /nfs/dbraw/zinc/70/03/22/1406700322.db2.gz WVOKEQJBXAILNO-SFHVURJKSA-N 1 0 382.464 3.419 20 5 GGBDRO O=C(NC1CC1)c1ccc(NC[C@H](c2ccco2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000054359278 1406700377 /nfs/dbraw/zinc/70/03/77/1406700377.db2.gz QRSBJGBSJKLYOI-GOSISDBHSA-N 1 0 384.436 3.329 20 5 GGBDRO CC(=O)Nc1cccc2c1CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C2 ZINC000054389915 1406714976 /nfs/dbraw/zinc/71/49/76/1406714976.db2.gz VYNIHVVQEHMMCS-UHFFFAOYSA-N 1 0 396.447 3.249 20 5 GGBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000054646401 1406795286 /nfs/dbraw/zinc/79/52/86/1406795286.db2.gz GJVFBFIWTTYXKQ-UHFFFAOYSA-N 1 0 382.464 3.233 20 5 GGBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000054718266 1406812080 /nfs/dbraw/zinc/81/20/80/1406812080.db2.gz BBHSJZBDCAQTTJ-LPHOPBHVSA-N 1 0 397.479 3.141 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000055245565 1406911499 /nfs/dbraw/zinc/91/14/99/1406911499.db2.gz YTXJGVBOBYELQO-UHFFFAOYSA-N 1 0 395.525 3.180 20 5 GGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000055402638 1406949205 /nfs/dbraw/zinc/94/92/05/1406949205.db2.gz FDQKGKNSCUYMLR-IAGOWNOFSA-N 1 0 388.512 3.048 20 5 GGBDRO O=C(CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccc(Cl)cc1 ZINC000004182317 1398382651 /nfs/dbraw/zinc/38/26/51/1398382651.db2.gz YFBHWMCZWBXWBH-UHFFFAOYSA-N 1 0 388.855 3.399 20 5 GGBDRO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000007875030 1398763653 /nfs/dbraw/zinc/76/36/53/1398763653.db2.gz XOGZMOFCJAITFK-UHFFFAOYSA-N 1 0 383.404 3.174 20 5 GGBDRO CCOc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000008367132 1398826866 /nfs/dbraw/zinc/82/68/66/1398826866.db2.gz CTYGHSSOIWVPKT-INIZCTEOSA-N 1 0 399.447 3.006 20 5 GGBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000009982532 1398872341 /nfs/dbraw/zinc/87/23/41/1398872341.db2.gz HOUKQQNLEABWRQ-UHFFFAOYSA-N 1 0 386.408 3.063 20 5 GGBDRO CSc1ccc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000010138930 1398877253 /nfs/dbraw/zinc/87/72/53/1398877253.db2.gz FJBRNIAQJTVGFM-MRXNPFEDSA-N 1 0 377.441 3.489 20 5 GGBDRO CSc1ccc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000010138923 1398877265 /nfs/dbraw/zinc/87/72/65/1398877265.db2.gz FJBRNIAQJTVGFM-INIZCTEOSA-N 1 0 377.441 3.489 20 5 GGBDRO COc1cccc([C@H](CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000010139115 1398877269 /nfs/dbraw/zinc/87/72/69/1398877269.db2.gz HARDCVONZVTZRN-KRWDZBQOSA-N 1 0 389.477 3.358 20 5 GGBDRO C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000010450926 1398893402 /nfs/dbraw/zinc/89/34/02/1398893402.db2.gz YPJSXYLPPQSRDB-MRXNPFEDSA-N 1 0 383.448 3.143 20 5 GGBDRO CC[NH+]1CCN(c2ccc(NC(=O)CCNc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000010895131 1398929718 /nfs/dbraw/zinc/92/97/18/1398929718.db2.gz ISDPFDPJPHCLIJ-UHFFFAOYSA-N 1 0 397.479 3.177 20 5 GGBDRO CC(C)[NH+](CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(C)C ZINC000011595315 1398997871 /nfs/dbraw/zinc/99/78/71/1398997871.db2.gz MGHLLAIEHVABOF-UHFFFAOYSA-N 1 0 376.501 3.046 20 5 GGBDRO CC(C)(CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[NH+]1CCCCC1 ZINC000011594703 1398997942 /nfs/dbraw/zinc/99/79/42/1398997942.db2.gz FZDSAKVUYNLBNB-UHFFFAOYSA-N 1 0 388.512 3.192 20 5 GGBDRO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000012284436 1399036530 /nfs/dbraw/zinc/03/65/30/1399036530.db2.gz OPVVJUJIYHTTFI-OAHLLOKOSA-N 1 0 397.431 3.312 20 5 GGBDRO O=[N+]([O-])c1cnn(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000014195018 1399092186 /nfs/dbraw/zinc/09/21/86/1399092186.db2.gz GVGFRNNOEPTTRZ-UHFFFAOYSA-N 1 0 377.448 3.156 20 5 GGBDRO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000015359615 1399156810 /nfs/dbraw/zinc/15/68/10/1399156810.db2.gz XPUHMQBVHXWSIN-UHFFFAOYSA-N 1 0 391.493 3.224 20 5 GGBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000015564719 1399171943 /nfs/dbraw/zinc/17/19/43/1399171943.db2.gz IBRLNKVHMZRIEA-UHFFFAOYSA-N 1 0 385.489 3.468 20 5 GGBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000015636261 1399180103 /nfs/dbraw/zinc/18/01/03/1399180103.db2.gz LIUTUZOMXMNGBB-UHFFFAOYSA-N 1 0 386.408 3.275 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000016259073 1399224913 /nfs/dbraw/zinc/22/49/13/1399224913.db2.gz ZLPOPXXVKSPZTC-SFHVURJKSA-N 1 0 382.464 3.072 20 5 GGBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000016507533 1399246353 /nfs/dbraw/zinc/24/63/53/1399246353.db2.gz CBADZXNULWNAJJ-UHFFFAOYSA-N 1 0 383.448 3.276 20 5 GGBDRO NC(=O)c1ccc(COC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c([N+](=O)[O-])c1 ZINC000016551052 1399248284 /nfs/dbraw/zinc/24/82/84/1399248284.db2.gz DXELKTCGRWMBFX-UHFFFAOYSA-N 1 0 397.431 3.037 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000016599260 1399251529 /nfs/dbraw/zinc/25/15/29/1399251529.db2.gz SJKIJXHYRDBICG-NRFANRHFSA-N 1 0 396.491 3.230 20 5 GGBDRO COc1cccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)[NH+]2CCCC2)c1 ZINC000017909204 1399294362 /nfs/dbraw/zinc/29/43/62/1399294362.db2.gz JEFNWDFJIUEFDZ-FQEVSTJZSA-N 1 0 383.448 3.479 20 5 GGBDRO COc1ccc([C@H](CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000017911577 1399294839 /nfs/dbraw/zinc/29/48/39/1399294839.db2.gz FTYJNAHNOPPYHF-IBGZPJMESA-N 1 0 399.447 3.179 20 5 GGBDRO COc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC)[NH+]2CCCC2)cc1 ZINC000017911768 1399295163 /nfs/dbraw/zinc/29/51/63/1399295163.db2.gz ZQBOUYGXPDOGEU-LJQANCHMSA-N 1 0 399.447 3.179 20 5 GGBDRO COc1cccc([C@@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000018016950 1399296496 /nfs/dbraw/zinc/29/64/96/1399296496.db2.gz MJSXETDASMUVLP-HXUWFJFHSA-N 1 0 398.463 3.210 20 5 GGBDRO CC[NH+]1CCN(c2ccc(NC(=O)COc3ccc([N+](=O)[O-])c(C)c3)cc2)CC1 ZINC000021481591 1399384855 /nfs/dbraw/zinc/38/48/55/1399384855.db2.gz WIKZWXORMVURAT-UHFFFAOYSA-N 1 0 398.463 3.063 20 5 GGBDRO CC[NH+](CC)[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000022700561 1399492885 /nfs/dbraw/zinc/49/28/85/1399492885.db2.gz QUKIGFBWPWHPQC-HXUWFJFHSA-N 1 0 385.464 3.345 20 5 GGBDRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000023015795 1399525493 /nfs/dbraw/zinc/52/54/93/1399525493.db2.gz IEGPIUDZBRXCLO-UHFFFAOYSA-N 1 0 388.855 3.285 20 5 GGBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC)Cc1ccccc1 ZINC000023197458 1399538291 /nfs/dbraw/zinc/53/82/91/1399538291.db2.gz MYJWOUAOUKWVLM-SFHVURJKSA-N 1 0 385.464 3.286 20 5 GGBDRO COc1ccccc1[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000023713937 1399580789 /nfs/dbraw/zinc/58/07/89/1399580789.db2.gz QIZXHUHRABBIJW-IBGZPJMESA-N 1 0 383.448 3.099 20 5 GGBDRO COc1ccccc1[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000023713935 1399580959 /nfs/dbraw/zinc/58/09/59/1399580959.db2.gz QIZXHUHRABBIJW-LJQANCHMSA-N 1 0 383.448 3.099 20 5 GGBDRO Cc1nn(CN2CC[NH+](Cc3cccc4ccccc43)CC2)c(C)c1[N+](=O)[O-] ZINC000023851617 1399586765 /nfs/dbraw/zinc/58/67/65/1399586765.db2.gz IGIGFYKQTVDUOT-UHFFFAOYSA-N 1 0 379.464 3.337 20 5 GGBDRO O=[N+]([O-])c1ccc(NCCN2CC[NH+](Cc3ccccc3)CC2)c2ccncc21 ZINC000024153131 1399606715 /nfs/dbraw/zinc/60/67/15/1399606715.db2.gz SNBZGQXUTSCUFO-UHFFFAOYSA-N 1 0 391.475 3.373 20 5 GGBDRO CCOc1cc(C(=O)NCC2([NH+](C)C)CCCCCC2)c([N+](=O)[O-])cc1OC ZINC000025443619 1399809221 /nfs/dbraw/zinc/80/92/21/1399809221.db2.gz YSMVUYZIGNDGEA-UHFFFAOYSA-N 1 0 393.484 3.387 20 5 GGBDRO CNc1ccc(C(=O)NC[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000025535306 1399817848 /nfs/dbraw/zinc/81/78/48/1399817848.db2.gz VYFXNMIRFBSJQA-NRFANRHFSA-N 1 0 396.491 3.449 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1OC ZINC000025813508 1399838230 /nfs/dbraw/zinc/83/82/30/1399838230.db2.gz XTBDZOUZFHESCG-OAHLLOKOSA-N 1 0 393.465 3.096 20 5 GGBDRO CC(C)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000025917294 1399845972 /nfs/dbraw/zinc/84/59/72/1399845972.db2.gz NHYZLHUNCNIQLX-NRFANRHFSA-N 1 0 381.476 3.336 20 5 GGBDRO C[C@@H]1C[NH+](CCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@@H](C)O1 ZINC000025973283 1399850618 /nfs/dbraw/zinc/85/06/18/1399850618.db2.gz OLZKLFTVRFIXCL-CHWSQXEVSA-N 1 0 377.466 3.039 20 5 GGBDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c(OC)c1 ZINC000026225085 1399870900 /nfs/dbraw/zinc/87/09/00/1399870900.db2.gz QCEUAMJVFXXJRX-UHFFFAOYSA-N 1 0 387.436 3.381 20 5 GGBDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000026225035 1399871173 /nfs/dbraw/zinc/87/11/73/1399871173.db2.gz JRTFBYKGVDLHGN-UHFFFAOYSA-N 1 0 387.436 3.381 20 5 GGBDRO COC(=O)c1ccc(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000026321636 1399878021 /nfs/dbraw/zinc/87/80/21/1399878021.db2.gz PYUXJBUEVOUQNX-UHFFFAOYSA-N 1 0 385.420 3.150 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000026338591 1399879490 /nfs/dbraw/zinc/87/94/90/1399879490.db2.gz VQYGBXQXQFCOBP-UHFFFAOYSA-N 1 0 398.463 3.063 20 5 GGBDRO Cc1cccc(N2CC[NH+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000026338614 1399879626 /nfs/dbraw/zinc/87/96/26/1399879626.db2.gz ZKJSCDSUHWEHBJ-UHFFFAOYSA-N 1 0 382.464 3.362 20 5 GGBDRO COc1ccc(NC(=O)CC[N@H+](C)CCOc2ccccc2F)c([N+](=O)[O-])c1 ZINC000026337141 1399879703 /nfs/dbraw/zinc/87/97/03/1399879703.db2.gz UROYWNFMJUXVOJ-UHFFFAOYSA-N 1 0 391.399 3.082 20 5 GGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCOc3ccc(Cl)cc3)CC2)cn1 ZINC000026488815 1399895362 /nfs/dbraw/zinc/89/53/62/1399895362.db2.gz BIWNAYYDRFYCGH-UHFFFAOYSA-N 1 0 376.844 3.234 20 5 GGBDRO CCNc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc1[N+](=O)[O-] ZINC000026567279 1399899916 /nfs/dbraw/zinc/89/99/16/1399899916.db2.gz YGTUVBWKCDFBEZ-UHFFFAOYSA-N 1 0 397.479 3.339 20 5 GGBDRO C[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026712802 1399924663 /nfs/dbraw/zinc/92/46/63/1399924663.db2.gz HGGFPNXVXJSDCU-OAHLLOKOSA-N 1 0 382.363 3.068 20 5 GGBDRO C[C@@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000026730065 1399926402 /nfs/dbraw/zinc/92/64/02/1399926402.db2.gz BYFLXRYMQYLDOJ-HNNXBMFYSA-N 1 0 394.475 3.346 20 5 GGBDRO Cc1ccccc1C[NH+]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000026762535 1399931213 /nfs/dbraw/zinc/93/12/13/1399931213.db2.gz NPMZYWZLQCLARH-SFHVURJKSA-N 1 0 396.491 3.356 20 5 GGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000026856996 1399942123 /nfs/dbraw/zinc/94/21/23/1399942123.db2.gz VZQSVUHTMUATBI-UHFFFAOYSA-N 1 0 386.477 3.321 20 5 GGBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000027360259 1400025522 /nfs/dbraw/zinc/02/55/22/1400025522.db2.gz MVAMYNZGZIQKPA-UHFFFAOYSA-N 1 0 397.479 3.102 20 5 GGBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000055758878 1407076646 /nfs/dbraw/zinc/07/66/46/1407076646.db2.gz RMKWTPIYOLREFK-OWCLPIDISA-N 1 0 399.495 3.092 20 5 GGBDRO COc1ccccc1[C@@H](CNC(=O)c1ccc(C)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000027569766 1400059115 /nfs/dbraw/zinc/05/91/15/1400059115.db2.gz DCABCWVSPYBZSR-LJQANCHMSA-N 1 0 383.448 3.479 20 5 GGBDRO COc1cccc([C@@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000028749842 1400191620 /nfs/dbraw/zinc/19/16/20/1400191620.db2.gz VJJALRGGRLPTTD-HXUWFJFHSA-N 1 0 398.463 3.210 20 5 GGBDRO COc1ccccc1[C@@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[NH+](C)C ZINC000028749803 1400191670 /nfs/dbraw/zinc/19/16/70/1400191670.db2.gz DYVJMNKBPFMQBP-LJQANCHMSA-N 1 0 398.463 3.210 20 5 GGBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1OC(F)F ZINC000028922054 1400211728 /nfs/dbraw/zinc/21/17/28/1400211728.db2.gz LYKWUCNPANLCSQ-JSGCOSHPSA-N 1 0 382.363 3.287 20 5 GGBDRO CC(=O)c1ccc(NCCCN2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000029170778 1400252827 /nfs/dbraw/zinc/25/28/27/1400252827.db2.gz RDAKSUBMGCSNKO-UHFFFAOYSA-N 1 0 396.491 3.417 20 5 GGBDRO COc1ccc(C(=O)NC[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000029173790 1400253945 /nfs/dbraw/zinc/25/39/45/1400253945.db2.gz MLEHTPSMSNTFGA-FQEVSTJZSA-N 1 0 397.475 3.416 20 5 GGBDRO CC[NH+](CC)Cc1ccc(CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])cc1 ZINC000029187426 1400255785 /nfs/dbraw/zinc/25/57/85/1400255785.db2.gz MMJBDYWZNHFCRT-UHFFFAOYSA-N 1 0 381.436 3.285 20 5 GGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCOc3ccccc3)CC2)c2ncccc12 ZINC000029871580 1400369370 /nfs/dbraw/zinc/36/93/70/1400369370.db2.gz IIDRRYMODQBKJV-UHFFFAOYSA-N 1 0 378.432 3.344 20 5 GGBDRO C[C@H]1CCCN(C(=O)C2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000055902841 1407126436 /nfs/dbraw/zinc/12/64/36/1407126436.db2.gz DXIJCZXKZSMFER-KRWDZBQOSA-N 1 0 389.496 3.334 20 5 GGBDRO CCCCN(C)C(=O)C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055904719 1407127091 /nfs/dbraw/zinc/12/70/91/1407127091.db2.gz MCLXSIUXEYGCEG-UHFFFAOYSA-N 1 0 377.485 3.334 20 5 GGBDRO CCOc1cc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000056043169 1407181026 /nfs/dbraw/zinc/18/10/26/1407181026.db2.gz OMQICNJDFPJWSP-UHFFFAOYSA-N 1 0 393.484 3.196 20 5 GGBDRO CC[NH+](CC)Cc1cccc(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000056101501 1407204051 /nfs/dbraw/zinc/20/40/51/1407204051.db2.gz BSQMYAPDHFVZHW-UHFFFAOYSA-N 1 0 391.493 3.056 20 5 GGBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000056196443 1407247356 /nfs/dbraw/zinc/24/73/56/1407247356.db2.gz AZKXSVKJBSLXRZ-KBPBESRZSA-N 1 0 385.420 3.434 20 5 GGBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000056196084 1407247449 /nfs/dbraw/zinc/24/74/49/1407247449.db2.gz WUTKOLALIBIZBK-HZPDHXFCSA-N 1 0 398.463 3.109 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1OC ZINC000056362125 1407310632 /nfs/dbraw/zinc/31/06/32/1407310632.db2.gz FSMDRBSFBRJXNO-SOUVJXGZSA-N 1 0 393.484 3.098 20 5 GGBDRO C[C@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000056382870 1407316061 /nfs/dbraw/zinc/31/60/61/1407316061.db2.gz VLKFQUKAQOYHPE-CVEARBPZSA-N 1 0 382.464 3.402 20 5 GGBDRO C[C@@H](NC(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000056406687 1407322561 /nfs/dbraw/zinc/32/25/61/1407322561.db2.gz HNQIYZONJWTBBB-OAHLLOKOSA-N 1 0 383.452 3.015 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000043121823 1403712497 /nfs/dbraw/zinc/71/24/97/1403712497.db2.gz MIFZSGCTMMIVBE-AWEZNQCLSA-N 1 0 384.436 3.172 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000043122352 1403712962 /nfs/dbraw/zinc/71/29/62/1403712962.db2.gz YLIKKWNEOGWEQP-UHFFFAOYSA-N 1 0 394.497 3.087 20 5 GGBDRO Cc1c(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)cccc1[N+](=O)[O-] ZINC000043346367 1403750772 /nfs/dbraw/zinc/75/07/72/1403750772.db2.gz AWQHGCPMQSPBTI-UHFFFAOYSA-N 1 0 378.498 3.386 20 5 GGBDRO CC1CC[NH+](Cc2ccc(CNC(=O)c3ccc(N)c([N+](=O)[O-])c3)cc2)CC1 ZINC000043730713 1403809006 /nfs/dbraw/zinc/80/90/06/1403809006.db2.gz APRLWZUKQPEADH-UHFFFAOYSA-N 1 0 382.464 3.339 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000043750172 1403811372 /nfs/dbraw/zinc/81/13/72/1403811372.db2.gz BGCXFDAAUFTZHG-UHFFFAOYSA-N 1 0 383.448 3.170 20 5 GGBDRO COc1ccc([C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000044307826 1403917453 /nfs/dbraw/zinc/91/74/53/1403917453.db2.gz INNBVWPYUVDJRP-MRXNPFEDSA-N 1 0 375.450 3.232 20 5 GGBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000044653543 1403976067 /nfs/dbraw/zinc/97/60/67/1403976067.db2.gz SBQIJTKWISIXJU-UHFFFAOYSA-N 1 0 381.436 3.243 20 5 GGBDRO C[NH+](C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000044770361 1403997739 /nfs/dbraw/zinc/99/77/39/1403997739.db2.gz NTVBFXNETQHDEE-UHFFFAOYSA-N 1 0 397.884 3.001 20 5 GGBDRO COc1cccc([C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)[NH+]2CCCC2)c1 ZINC000044834987 1404009475 /nfs/dbraw/zinc/00/94/75/1404009475.db2.gz KQPIAKQESCILMY-MRXNPFEDSA-N 1 0 375.450 3.232 20 5 GGBDRO CCOc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000045498859 1404132959 /nfs/dbraw/zinc/13/29/59/1404132959.db2.gz YMNUWGUYVZACBF-HNNXBMFYSA-N 1 0 383.448 3.170 20 5 GGBDRO COc1ccc(C[N@@H+]2CCCN(C(=O)NCc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000045622370 1404164492 /nfs/dbraw/zinc/16/44/92/1404164492.db2.gz GIYCWNCPMLCAHV-UHFFFAOYSA-N 1 0 398.463 3.021 20 5 GGBDRO Cc1c(NC(=O)CCN2CC[NH+](Cc3cccs3)CC2)cccc1[N+](=O)[O-] ZINC000045799619 1404207891 /nfs/dbraw/zinc/20/78/91/1404207891.db2.gz GEHJMTYUMAVRLO-UHFFFAOYSA-N 1 0 388.493 3.111 20 5 GGBDRO Cc1ccccc1C[NH+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000045799587 1404207971 /nfs/dbraw/zinc/20/79/71/1404207971.db2.gz IGIGOGGQXFUQJI-UHFFFAOYSA-N 1 0 396.491 3.358 20 5 GGBDRO Cc1cccc(C[NH+]2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000045799545 1404208044 /nfs/dbraw/zinc/20/80/44/1404208044.db2.gz VXTMIDKAOJNQDA-UHFFFAOYSA-N 1 0 382.464 3.050 20 5 GGBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NCc1ccccc1C[NH+]1CCCC1 ZINC000045851655 1404224837 /nfs/dbraw/zinc/22/48/37/1404224837.db2.gz GLVIRNPHSTYJAD-UHFFFAOYSA-N 1 0 382.464 3.309 20 5 GGBDRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000045941510 1404248469 /nfs/dbraw/zinc/24/84/69/1404248469.db2.gz ZEEDCBDTBIPTJG-UHFFFAOYSA-N 1 0 386.408 3.255 20 5 GGBDRO CC[NH+](CC)Cc1cccc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000046016205 1404272813 /nfs/dbraw/zinc/27/28/13/1404272813.db2.gz XXHCVBCICAWGFL-UHFFFAOYSA-N 1 0 398.463 3.195 20 5 GGBDRO O=C(CC[NH+]1CCC(C(=O)Nc2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000046561153 1404481835 /nfs/dbraw/zinc/48/18/35/1404481835.db2.gz RIHCFKPNZUFROK-UHFFFAOYSA-N 1 0 396.447 3.274 20 5 GGBDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000046624197 1404516861 /nfs/dbraw/zinc/51/68/61/1404516861.db2.gz CYCXDITXUQVFSZ-HOTGVXAUSA-N 1 0 383.448 3.134 20 5 GGBDRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000046721873 1404567753 /nfs/dbraw/zinc/56/77/53/1404567753.db2.gz PZTGACUXYVYSBG-UHFFFAOYSA-N 1 0 398.463 3.388 20 5 GGBDRO CC[C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000046768699 1404583394 /nfs/dbraw/zinc/58/33/94/1404583394.db2.gz SSUCRSMVONTEHO-LJQANCHMSA-N 1 0 396.491 3.350 20 5 GGBDRO C[NH+](C)C1(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCCCCC1 ZINC000046916746 1404632262 /nfs/dbraw/zinc/63/22/62/1404632262.db2.gz ZTGNNKMEKGLIND-UHFFFAOYSA-N 1 0 385.468 3.165 20 5 GGBDRO CCOc1ccc(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000047038721 1404684706 /nfs/dbraw/zinc/68/47/06/1404684706.db2.gz BKOYLEWBTLRKCG-HOTGVXAUSA-N 1 0 377.485 3.481 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc1OC ZINC000046989659 1404663564 /nfs/dbraw/zinc/66/35/64/1404663564.db2.gz AKESWGUYUDNLGK-OAHLLOKOSA-N 1 0 393.484 3.387 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCCCC[NH+]2CCC(C)CC2)cc1OC ZINC000047016789 1404676195 /nfs/dbraw/zinc/67/61/95/1404676195.db2.gz CBZABHHXKLDEMR-UHFFFAOYSA-N 1 0 393.484 3.244 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCC[NH+](C)C)Cc1ccccc1 ZINC000047031849 1404680619 /nfs/dbraw/zinc/68/06/19/1404680619.db2.gz CCLITGRSUUSBPC-UHFFFAOYSA-N 1 0 391.493 3.046 20 5 GGBDRO C[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000047119475 1404712773 /nfs/dbraw/zinc/71/27/73/1404712773.db2.gz HDOXYJVTSFWKGJ-MSOLQXFVSA-N 1 0 391.515 3.391 20 5 GGBDRO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000047322949 1404805852 /nfs/dbraw/zinc/80/58/52/1404805852.db2.gz XYFVWKUHOMITOE-UHFFFAOYSA-N 1 0 397.479 3.319 20 5 GGBDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000047330215 1404807757 /nfs/dbraw/zinc/80/77/57/1404807757.db2.gz LRQZPGZAVLGOEF-UHFFFAOYSA-N 1 0 398.463 3.227 20 5 GGBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000047338573 1404811022 /nfs/dbraw/zinc/81/10/22/1404811022.db2.gz OURUPCDPSUNITC-UHFFFAOYSA-N 1 0 389.843 3.429 20 5 GGBDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC000047587759 1404873788 /nfs/dbraw/zinc/87/37/88/1404873788.db2.gz KVUPAZKCJAPQIO-IRXDYDNUSA-N 1 0 397.475 3.063 20 5 GGBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000047609281 1404879134 /nfs/dbraw/zinc/87/91/34/1404879134.db2.gz MVBIUCJEPNHXKL-QGZVFWFLSA-N 1 0 387.436 3.300 20 5 GGBDRO C[NH+](C)CCOc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000047673063 1404890829 /nfs/dbraw/zinc/89/08/29/1404890829.db2.gz SVFXZZJRGFWKRK-UHFFFAOYSA-N 1 0 377.828 3.119 20 5 GGBDRO O=C(CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)Nc1cccc(Cl)c1 ZINC000047745589 1404918061 /nfs/dbraw/zinc/91/80/61/1404918061.db2.gz MZHLLWDQJGKHKO-UHFFFAOYSA-N 1 0 388.855 3.399 20 5 GGBDRO C[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C[NH+]1CCCC1 ZINC000047920164 1404996709 /nfs/dbraw/zinc/99/67/09/1404996709.db2.gz XPRARURFRUDLPJ-QGZVFWFLSA-N 1 0 377.488 3.003 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000048039682 1405029998 /nfs/dbraw/zinc/02/99/98/1405029998.db2.gz LFTHLUIQLDMDMU-UHFFFAOYSA-N 1 0 390.415 3.338 20 5 GGBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000048315630 1405141018 /nfs/dbraw/zinc/14/10/18/1405141018.db2.gz KMIMWBMBOWVDOF-UHFFFAOYSA-N 1 0 393.447 3.389 20 5 GGBDRO CC(C)(C)c1ccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000048480845 1405201173 /nfs/dbraw/zinc/20/11/73/1405201173.db2.gz BRENXAYIKMXLBM-UHFFFAOYSA-N 1 0 389.496 3.077 20 5 GGBDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000173475834 1426649050 /nfs/dbraw/zinc/64/90/50/1426649050.db2.gz PRWRNMKJSMBKBX-HXUWFJFHSA-N 1 0 382.464 3.461 20 5 GGBDRO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132839 1405728177 /nfs/dbraw/zinc/72/81/77/1405728177.db2.gz TUKBBMCSVHFRJO-AZUAARDMSA-N 1 0 383.448 3.293 20 5 GGBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000051468857 1405816144 /nfs/dbraw/zinc/81/61/44/1405816144.db2.gz YYXDVXUVTXTEBY-UHFFFAOYSA-N 1 0 376.482 3.378 20 5 GGBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000051469679 1405816218 /nfs/dbraw/zinc/81/62/18/1405816218.db2.gz ROXFPKYKYLNKOY-INIZCTEOSA-N 1 0 386.477 3.419 20 5 GGBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000051469681 1405816513 /nfs/dbraw/zinc/81/65/13/1405816513.db2.gz VWDCNGZYKNSULP-INIZCTEOSA-N 1 0 386.477 3.419 20 5 GGBDRO CS(=O)(=O)c1ccc(N2CCC(C[NH+]3CCCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000052074321 1405924281 /nfs/dbraw/zinc/92/42/81/1405924281.db2.gz SXPLCRGUGKFYQD-UHFFFAOYSA-N 1 0 395.525 3.091 20 5 GGBDRO C[NH+](C)[C@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000052486087 1406062741 /nfs/dbraw/zinc/06/27/41/1406062741.db2.gz QBUUGYFKOCZCAU-LJQANCHMSA-N 1 0 386.427 3.341 20 5 GGBDRO C[C@@H](CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000052641348 1406102757 /nfs/dbraw/zinc/10/27/57/1406102757.db2.gz MOUDGYREQHQHHK-LBPRGKRZSA-N 1 0 388.390 3.016 20 5 GGBDRO COc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000052641801 1406103443 /nfs/dbraw/zinc/10/34/43/1406103443.db2.gz SYQRIPGJNTXHAM-UHFFFAOYSA-N 1 0 399.447 3.463 20 5 GGBDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3csc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000052690525 1406123877 /nfs/dbraw/zinc/12/38/77/1406123877.db2.gz SDCDZYFOTMHSDV-OKILXGFUSA-N 1 0 389.477 3.196 20 5 GGBDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176315519 1428239815 /nfs/dbraw/zinc/23/98/15/1428239815.db2.gz KOBJYVYHWFSZNU-UHFFFAOYSA-N 1 0 386.477 3.287 20 5 GGBDRO COc1ccc(C[N@@H+]2CCCN(C(=O)NCc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000057005562 1407498057 /nfs/dbraw/zinc/49/80/57/1407498057.db2.gz VSHPSRYLFOAWGL-UHFFFAOYSA-N 1 0 398.463 3.021 20 5 GGBDRO C[NH+]1CCN(Cc2cccc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)c2)CC1 ZINC000057055003 1407510587 /nfs/dbraw/zinc/51/05/87/1407510587.db2.gz WVVOABFAZIQUPO-UHFFFAOYSA-N 1 0 393.447 3.076 20 5 GGBDRO CN1CC[NH+](CC2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 ZINC000057151579 1407536436 /nfs/dbraw/zinc/53/64/36/1407536436.db2.gz FMAVLVGGHVNEOD-UHFFFAOYSA-N 1 0 386.418 3.077 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000057554834 1407647907 /nfs/dbraw/zinc/64/79/07/1407647907.db2.gz ZRJJOYQMYAAXKO-GDBMZVCRSA-N 1 0 395.463 3.129 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000057554836 1407648234 /nfs/dbraw/zinc/64/82/34/1407648234.db2.gz ZRJJOYQMYAAXKO-HOCLYGCPSA-N 1 0 395.463 3.129 20 5 GGBDRO C[C@H](CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000057702356 1407692328 /nfs/dbraw/zinc/69/23/28/1407692328.db2.gz WFYCZIZPABDCRM-HUUCEWRRSA-N 1 0 397.479 3.375 20 5 GGBDRO CCc1cc(Nc2cnn(CC[NH+](C)C)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000057854443 1407739260 /nfs/dbraw/zinc/73/92/60/1407739260.db2.gz ITUAHAANMNDEIF-UHFFFAOYSA-N 1 0 381.440 3.116 20 5 GGBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000058263132 1407804039 /nfs/dbraw/zinc/80/40/39/1407804039.db2.gz XJSXQZQWTFZJSM-CQSZACIVSA-N 1 0 395.887 3.492 20 5 GGBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@H](c1ccccc1)[NH+](C)C ZINC000058541008 1407842536 /nfs/dbraw/zinc/84/25/36/1407842536.db2.gz JWAHHMXMZQZCAV-MRXNPFEDSA-N 1 0 388.380 3.004 20 5 GGBDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccccc1 ZINC000058560931 1407844642 /nfs/dbraw/zinc/84/46/42/1407844642.db2.gz DWOJIUMQLIQSPH-SFHVURJKSA-N 1 0 391.493 3.265 20 5 GGBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000058965988 1407906281 /nfs/dbraw/zinc/90/62/81/1407906281.db2.gz MFGNONBOEYMMQC-UHFFFAOYSA-N 1 0 397.475 3.453 20 5 GGBDRO CC[NH+]1CCN([C@@H](C)CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000059389339 1407921606 /nfs/dbraw/zinc/92/16/06/1407921606.db2.gz OAICARARYHTBQG-KRWDZBQOSA-N 1 0 396.491 3.264 20 5 GGBDRO C[C@@H]1CCC[C@](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000059922062 1407929765 /nfs/dbraw/zinc/92/97/65/1407929765.db2.gz GEFSIFULQKOZPW-IERDGZPVSA-N 1 0 388.512 3.435 20 5 GGBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@H]1COc2ccccc2O1 ZINC000060089799 1407936886 /nfs/dbraw/zinc/93/68/86/1407936886.db2.gz GJCFKOGIGYCDFM-KRWDZBQOSA-N 1 0 399.447 3.394 20 5 GGBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C[C@@H]1COc2ccccc2O1 ZINC000060089801 1407937123 /nfs/dbraw/zinc/93/71/23/1407937123.db2.gz JEXQRPVLNGUVIJ-MRXNPFEDSA-N 1 0 399.447 3.394 20 5 GGBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C[C@H]1COc2ccccc2O1 ZINC000060089803 1407937143 /nfs/dbraw/zinc/93/71/43/1407937143.db2.gz JEXQRPVLNGUVIJ-INIZCTEOSA-N 1 0 399.447 3.394 20 5 GGBDRO CCC[NH+]1CCC(N(C)C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000060559024 1408002169 /nfs/dbraw/zinc/00/21/69/1408002169.db2.gz FLMASXCCIXYEKP-UHFFFAOYSA-N 1 0 391.515 3.488 20 5 GGBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+][C@@H]2CCS(=O)(=O)C2)cc1 ZINC000061002656 1408063448 /nfs/dbraw/zinc/06/34/48/1408063448.db2.gz TZWLPRDLZLIBGL-CQSZACIVSA-N 1 0 396.852 3.317 20 5 GGBDRO O=C(CNc1ccccc1[N+](=O)[O-])Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000061571404 1408149107 /nfs/dbraw/zinc/14/91/07/1408149107.db2.gz XVASFWCWCZGOOT-UHFFFAOYSA-N 1 0 386.477 3.194 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000062229468 1408222251 /nfs/dbraw/zinc/22/22/51/1408222251.db2.gz KRYPLIAHOLLOML-QGZVFWFLSA-N 1 0 383.448 3.245 20 5 GGBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000062231596 1408222971 /nfs/dbraw/zinc/22/29/71/1408222971.db2.gz BEJBWWCTXYKSHT-SFHVURJKSA-N 1 0 383.448 3.002 20 5 GGBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1)CC(F)(F)F ZINC000176406235 1428305506 /nfs/dbraw/zinc/30/55/06/1428305506.db2.gz QKNGRASDKOUQFH-AWEZNQCLSA-N 1 0 375.391 3.310 20 5 GGBDRO CCN(C[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1)CC(F)(F)F ZINC000176408814 1428307487 /nfs/dbraw/zinc/30/74/87/1428307487.db2.gz SDMHQUGXRNILIB-AWEZNQCLSA-N 1 0 375.391 3.180 20 5 GGBDRO COc1ccc(C[NH+]2CCC(CNc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)cc1 ZINC000063282560 1408328212 /nfs/dbraw/zinc/32/82/12/1408328212.db2.gz PBWVPDHDSFITOP-UHFFFAOYSA-N 1 0 398.463 3.026 20 5 GGBDRO CS(=O)(=O)c1ccc(NC2CC[NH+](CC3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000063282617 1408328353 /nfs/dbraw/zinc/32/83/53/1408328353.db2.gz GPBYGUIBLPYEAU-UHFFFAOYSA-N 1 0 381.498 3.065 20 5 GGBDRO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063463856 1408358689 /nfs/dbraw/zinc/35/86/89/1408358689.db2.gz KFLUSLLHBRLSTJ-GOSISDBHSA-N 1 0 382.464 3.306 20 5 GGBDRO Cc1c(NC(=O)CC[N@@H+](C)C[C@@H]2COc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000063482470 1408361606 /nfs/dbraw/zinc/36/16/06/1408361606.db2.gz XLLUJEYEPYYWFO-OAHLLOKOSA-N 1 0 385.420 3.004 20 5 GGBDRO Cc1ccc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000063560997 1408371332 /nfs/dbraw/zinc/37/13/32/1408371332.db2.gz UFJMCYNAHWUWPF-CALCHBBNSA-N 1 0 397.475 3.442 20 5 GGBDRO C[C@@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000063733292 1408398478 /nfs/dbraw/zinc/39/84/78/1408398478.db2.gz SLLXROZSVCRDTF-INIZCTEOSA-N 1 0 382.464 3.421 20 5 GGBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000063745839 1408400147 /nfs/dbraw/zinc/40/01/47/1408400147.db2.gz BIQHNFBBACESDV-UHFFFAOYSA-N 1 0 375.469 3.088 20 5 GGBDRO Cc1c(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000063758934 1408402395 /nfs/dbraw/zinc/40/23/95/1408402395.db2.gz VAXHLDVHTVAFGN-OKILXGFUSA-N 1 0 392.456 3.299 20 5 GGBDRO O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CC[NH+](CC2CC2)CC1 ZINC000063779496 1408409139 /nfs/dbraw/zinc/40/91/39/1408409139.db2.gz OZXQZDXQAUHDIW-UHFFFAOYSA-N 1 0 394.475 3.375 20 5 GGBDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000176426643 1428316511 /nfs/dbraw/zinc/31/65/11/1428316511.db2.gz LERZRONANLNUOT-AWEZNQCLSA-N 1 0 376.482 3.491 20 5 GGBDRO CCC[NH+]1CCC(N(C)C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000064310157 1408532157 /nfs/dbraw/zinc/53/21/57/1408532157.db2.gz XQNOGIXNYFVWNY-UHFFFAOYSA-N 1 0 395.525 3.169 20 5 GGBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000064420204 1408551416 /nfs/dbraw/zinc/55/14/16/1408551416.db2.gz AZZOZCMXSOYBKX-ABAIWWIYSA-N 1 0 397.884 3.496 20 5 GGBDRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000064521111 1408573103 /nfs/dbraw/zinc/57/31/03/1408573103.db2.gz MFDPPRSMYXNFQN-CYBMUJFWSA-N 1 0 377.441 3.437 20 5 GGBDRO CNC(=O)c1ccc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c([N+](=O)[O-])c1 ZINC000064550803 1408576185 /nfs/dbraw/zinc/57/61/85/1408576185.db2.gz QSKNKSDLXJOEAZ-CQSZACIVSA-N 1 0 388.493 3.340 20 5 GGBDRO O=c1[nH]cnc2cc(NC[C@H]3CCC[N@H+](Cc4cccs4)C3)c([N+](=O)[O-])cc12 ZINC000064550885 1408576598 /nfs/dbraw/zinc/57/65/98/1408576598.db2.gz MYWXMDRMUBXFIY-CYBMUJFWSA-N 1 0 399.476 3.217 20 5 GGBDRO CCc1cc(N2CCN(c3cc[nH+]cc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064905123 1408626964 /nfs/dbraw/zinc/62/69/64/1408626964.db2.gz ZGMJCDXZMAIXDF-UHFFFAOYSA-N 1 0 390.447 3.336 20 5 GGBDRO CNC(=O)c1ccc(NC[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000064905824 1408627058 /nfs/dbraw/zinc/62/70/58/1408627058.db2.gz UBPFBVOIKBGXEW-OAQYLSRUSA-N 1 0 396.491 3.449 20 5 GGBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1C ZINC000064965178 1408632801 /nfs/dbraw/zinc/63/28/01/1408632801.db2.gz IUZVLVRHYWXASX-ZDUSSCGKSA-N 1 0 383.514 3.000 20 5 GGBDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000064995460 1408634833 /nfs/dbraw/zinc/63/48/33/1408634833.db2.gz XJNFBKDSVVMCMQ-SJORKVTESA-N 1 0 377.485 3.381 20 5 GGBDRO CC[NH+](CC)CCn1ccc2cc(NC(=O)CCn3cc([N+](=O)[O-])cn3)ccc21 ZINC000065316516 1408660813 /nfs/dbraw/zinc/66/08/13/1408660813.db2.gz LSVAPTKCSPYIAY-UHFFFAOYSA-N 1 0 398.467 3.117 20 5 GGBDRO C[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[NH+]1CCC(C)CC1 ZINC000065413688 1408666142 /nfs/dbraw/zinc/66/61/42/1408666142.db2.gz RXWHDTQDPNDQGP-LBPRGKRZSA-N 1 0 386.399 3.438 20 5 GGBDRO C[N@H+](CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)Cc1ccccc1 ZINC000065450267 1408671211 /nfs/dbraw/zinc/67/12/11/1408671211.db2.gz MVTGBCJVYRADPL-UHFFFAOYSA-N 1 0 394.378 3.450 20 5 GGBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000065716620 1408717067 /nfs/dbraw/zinc/71/70/67/1408717067.db2.gz CMTBQNWIFJWLKW-IBGZPJMESA-N 1 0 396.447 3.486 20 5 GGBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000065716981 1408717222 /nfs/dbraw/zinc/71/72/22/1408717222.db2.gz MJBGXRNWWWWOAD-SFHVURJKSA-N 1 0 382.420 3.096 20 5 GGBDRO CCNc1ccc(C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000065747956 1408723251 /nfs/dbraw/zinc/72/32/51/1408723251.db2.gz ODNRPQPWDZTFSE-UHFFFAOYSA-N 1 0 399.451 3.169 20 5 GGBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000065748015 1408723340 /nfs/dbraw/zinc/72/33/40/1408723340.db2.gz WYGGCKZDZVSCJG-UHFFFAOYSA-N 1 0 390.827 3.391 20 5 GGBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[NH+](CC2CCCCC2)CC1 ZINC000065756525 1408724621 /nfs/dbraw/zinc/72/46/21/1408724621.db2.gz AFUWGFQCOBLKRZ-UHFFFAOYSA-N 1 0 384.480 3.274 20 5 GGBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000065843364 1408740856 /nfs/dbraw/zinc/74/08/56/1408740856.db2.gz DFXCSDMGYDYQPP-UHFFFAOYSA-N 1 0 392.459 3.462 20 5 GGBDRO CC[NH+]1CCN(c2ccc(NC(=O)CNc3ccccc3[N+](=O)[O-])c(C)c2)CC1 ZINC000065858048 1408743091 /nfs/dbraw/zinc/74/30/91/1408743091.db2.gz OFHBCHKLGVHVEQ-UHFFFAOYSA-N 1 0 397.479 3.096 20 5 GGBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000065876479 1408746769 /nfs/dbraw/zinc/74/67/69/1408746769.db2.gz OSJWUYGUZZWFCU-UHFFFAOYSA-N 1 0 399.495 3.181 20 5 GGBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000065881046 1408747290 /nfs/dbraw/zinc/74/72/90/1408747290.db2.gz LQQXXLBNLHSNNS-GOSISDBHSA-N 1 0 385.439 3.305 20 5 GGBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000065881233 1408747530 /nfs/dbraw/zinc/74/75/30/1408747530.db2.gz ZMBSYSVNNCTYQM-UHFFFAOYSA-N 1 0 393.447 3.162 20 5 GGBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000065897322 1408749478 /nfs/dbraw/zinc/74/94/78/1408749478.db2.gz YYBIAMOQGGMDAD-UHFFFAOYSA-N 1 0 382.464 3.035 20 5 GGBDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000065936770 1408757611 /nfs/dbraw/zinc/75/76/11/1408757611.db2.gz JGWHYVNYBLWWFG-UHFFFAOYSA-N 1 0 391.855 3.217 20 5 GGBDRO O=C(C[N@H+](C1CC1)[C@@H]1CCc2ccccc21)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000065951637 1408761394 /nfs/dbraw/zinc/76/13/94/1408761394.db2.gz PDOWUMYGJRHRQR-QGZVFWFLSA-N 1 0 395.415 3.414 20 5 GGBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)CC[N@H+](C)C2CCCCC2)c1C ZINC000065971428 1408765108 /nfs/dbraw/zinc/76/51/08/1408765108.db2.gz ZCWBAQDMEBTPIW-UHFFFAOYSA-N 1 0 383.514 3.097 20 5 GGBDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000065972233 1408765196 /nfs/dbraw/zinc/76/51/96/1408765196.db2.gz MWRSLPWIISXJGU-UHFFFAOYSA-N 1 0 397.884 3.001 20 5 GGBDRO CC[NH+](CC)Cc1cccc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000066021227 1408775130 /nfs/dbraw/zinc/77/51/30/1408775130.db2.gz QSDOOIBGRBWABU-UHFFFAOYSA-N 1 0 387.436 3.463 20 5 GGBDRO O=C(COc1ccccc1[N+](=O)[O-])OCC1CC[NH+](Cc2ccccc2)CC1 ZINC000066543212 1408854834 /nfs/dbraw/zinc/85/48/34/1408854834.db2.gz OKNDPZISWPUVMT-UHFFFAOYSA-N 1 0 384.432 3.429 20 5 GGBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066602712 1408864684 /nfs/dbraw/zinc/86/46/84/1408864684.db2.gz DFUAAUNJMMFCHJ-UHFFFAOYSA-N 1 0 399.447 3.138 20 5 GGBDRO CC[NH+]1CCC(n2nccc2NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000066662966 1408879103 /nfs/dbraw/zinc/87/91/03/1408879103.db2.gz RYHCPPKROSEIMK-UHFFFAOYSA-N 1 0 396.451 3.042 20 5 GGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000066726599 1408894806 /nfs/dbraw/zinc/89/48/06/1408894806.db2.gz RWIZCACQCVOLSJ-UHFFFAOYSA-N 1 0 399.447 3.090 20 5 GGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000066726784 1408894832 /nfs/dbraw/zinc/89/48/32/1408894832.db2.gz ZQPNQJNRNCHTIJ-UHFFFAOYSA-N 1 0 399.447 3.105 20 5 GGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000066726335 1408894928 /nfs/dbraw/zinc/89/49/28/1408894928.db2.gz GOWTWJVQKCQKBU-UHFFFAOYSA-N 1 0 386.408 3.227 20 5 GGBDRO CNC(=O)c1ccc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000066812928 1408919493 /nfs/dbraw/zinc/91/94/93/1408919493.db2.gz OVHHKXINGSUTBY-UHFFFAOYSA-N 1 0 396.491 3.303 20 5 GGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000066935418 1408957276 /nfs/dbraw/zinc/95/72/76/1408957276.db2.gz CYDFGQNNRADRLX-UHFFFAOYSA-N 1 0 391.493 3.176 20 5 GGBDRO C[C@H]1C[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000176581064 1428370180 /nfs/dbraw/zinc/37/01/80/1428370180.db2.gz VBFOWXZMOOGGIH-WMZOPIPTSA-N 1 0 383.448 3.143 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000067162739 1409028644 /nfs/dbraw/zinc/02/86/44/1409028644.db2.gz FZXKDNVFFIMMNK-IRXDYDNUSA-N 1 0 397.475 3.442 20 5 GGBDRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000067203586 1409040451 /nfs/dbraw/zinc/04/04/51/1409040451.db2.gz IKDMJLVKMXEXHM-GOSISDBHSA-N 1 0 394.475 3.328 20 5 GGBDRO CC(C)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 ZINC000067265330 1409058346 /nfs/dbraw/zinc/05/83/46/1409058346.db2.gz XAMBVGYAQSBLEC-UHFFFAOYSA-N 1 0 388.512 3.435 20 5 GGBDRO C[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[NH+]1CCC(C)CC1 ZINC000067271538 1409060208 /nfs/dbraw/zinc/06/02/08/1409060208.db2.gz SUSNAFRPWOFGEV-SFHVURJKSA-N 1 0 391.515 3.391 20 5 GGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccco1 ZINC000067274788 1409061362 /nfs/dbraw/zinc/06/13/62/1409061362.db2.gz FKYPXHARGVNBSS-SFHVURJKSA-N 1 0 397.435 3.186 20 5 GGBDRO CC[NH+](CC)[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000067276546 1409061428 /nfs/dbraw/zinc/06/14/28/1409061428.db2.gz NDQJVODTTNNUHG-MRXNPFEDSA-N 1 0 377.466 3.479 20 5 GGBDRO COc1ccc([C@H]2CC[N@@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)cc1 ZINC000067379020 1409093385 /nfs/dbraw/zinc/09/33/85/1409093385.db2.gz KJJHHYVHWIVHOL-OXJNMPFZSA-N 1 0 381.432 3.198 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000067382987 1409095826 /nfs/dbraw/zinc/09/58/26/1409095826.db2.gz YZPVADSZYXPBES-OAHLLOKOSA-N 1 0 385.468 3.236 20 5 GGBDRO COc1cc(C)c([C@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000067452353 1409122496 /nfs/dbraw/zinc/12/24/96/1409122496.db2.gz YLXJGMKYFALFHX-KBXCAEBGSA-N 1 0 399.447 3.377 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2c3ccc(C)cc3[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000067543625 1409154055 /nfs/dbraw/zinc/15/40/55/1409154055.db2.gz RXVRLHCHQLBBFX-HKUYNNGSSA-N 1 0 381.432 3.360 20 5 GGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000067593557 1409179357 /nfs/dbraw/zinc/17/93/57/1409179357.db2.gz MWBXUGIGUYRZET-INIZCTEOSA-N 1 0 390.396 3.217 20 5 GGBDRO Cc1c(NC(=O)[C@@H](C)N2CC[NH+](CC3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000067648712 1409197845 /nfs/dbraw/zinc/19/78/45/1409197845.db2.gz HKNABYCNGCIOHW-QGZVFWFLSA-N 1 0 388.512 3.428 20 5 GGBDRO CC[N@H+](C)Cc1cccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000067716794 1409213936 /nfs/dbraw/zinc/21/39/36/1409213936.db2.gz HFVJGHVDOKUOCZ-UHFFFAOYSA-N 1 0 397.884 3.178 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)c1 ZINC000067752827 1409221719 /nfs/dbraw/zinc/22/17/19/1409221719.db2.gz ZBHHFPBCSLAZPQ-UHFFFAOYSA-N 1 0 398.463 3.386 20 5 GGBDRO O=C(NCc1ccccc1[N+](=O)[O-])NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000067771905 1409226657 /nfs/dbraw/zinc/22/66/57/1409226657.db2.gz IXJZHXVIBWUAKB-UHFFFAOYSA-N 1 0 382.464 3.306 20 5 GGBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000067812827 1409236885 /nfs/dbraw/zinc/23/68/85/1409236885.db2.gz MJBGXRNWWWWOAD-GOSISDBHSA-N 1 0 382.420 3.096 20 5 GGBDRO COc1ccc(CC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000067818776 1409237575 /nfs/dbraw/zinc/23/75/75/1409237575.db2.gz VRXRYDLZEUVGSA-YJBOKZPZSA-N 1 0 383.448 3.098 20 5 GGBDRO COc1ccc(CC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000067901730 1409252820 /nfs/dbraw/zinc/25/28/20/1409252820.db2.gz TXQLCPMRQBUAFH-INIZCTEOSA-N 1 0 389.477 3.161 20 5 GGBDRO COc1ccc(CC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000067907161 1409253486 /nfs/dbraw/zinc/25/34/86/1409253486.db2.gz VMPIQCMCRHYZFU-HZPDHXFCSA-N 1 0 377.485 3.020 20 5 GGBDRO COc1ccc(CC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000067910063 1409253785 /nfs/dbraw/zinc/25/37/85/1409253785.db2.gz NFWSDBKDOXJUEO-UHFFFAOYSA-N 1 0 389.496 3.261 20 5 GGBDRO COc1ccc(CC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000067907038 1409253827 /nfs/dbraw/zinc/25/38/27/1409253827.db2.gz LNDAVJJMDJZNCA-GOSISDBHSA-N 1 0 377.485 3.019 20 5 GGBDRO COc1ccc(CC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000067910784 1409254117 /nfs/dbraw/zinc/25/41/17/1409254117.db2.gz SVNVKNKKFXCAQV-GJZGRUSLSA-N 1 0 377.485 3.019 20 5 GGBDRO COc1ccc(CC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000067912610 1409254136 /nfs/dbraw/zinc/25/41/36/1409254136.db2.gz FOMQIPZHWDTRET-UHFFFAOYSA-N 1 0 397.475 3.174 20 5 GGBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000068084986 1409295760 /nfs/dbraw/zinc/29/57/60/1409295760.db2.gz WCJXJJWMLZIPSH-CYBMUJFWSA-N 1 0 378.429 3.196 20 5 GGBDRO Cc1c(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000068085493 1409295786 /nfs/dbraw/zinc/29/57/86/1409295786.db2.gz VAXHLDVHTVAFGN-ZIAGYGMSSA-N 1 0 392.456 3.299 20 5 GGBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000068131890 1409310465 /nfs/dbraw/zinc/31/04/65/1409310465.db2.gz JUFSREYQFYNZIR-GDBMZVCRSA-N 1 0 395.887 3.492 20 5 GGBDRO O=Cc1ccc(OCC(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c([N+](=O)[O-])c1 ZINC000068306063 1409358721 /nfs/dbraw/zinc/35/87/21/1409358721.db2.gz DUHNDFQKDQYVGZ-UHFFFAOYSA-N 1 0 397.431 3.063 20 5 GGBDRO CCCC[NH+]1CCC(NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000068450284 1409406499 /nfs/dbraw/zinc/40/64/99/1409406499.db2.gz JLKYIMNPEWXQKS-UHFFFAOYSA-N 1 0 395.525 3.217 20 5 GGBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)o1 ZINC000068467700 1409411657 /nfs/dbraw/zinc/41/16/57/1409411657.db2.gz YHYJWECCELXBEG-UHFFFAOYSA-N 1 0 384.436 3.041 20 5 GGBDRO COc1ccc([C@@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)[NH+]2CCCC2)cc1 ZINC000068509753 1409422055 /nfs/dbraw/zinc/42/20/55/1409422055.db2.gz ZVODKNURJUUKTQ-LJQANCHMSA-N 1 0 398.463 3.061 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000068555199 1409437720 /nfs/dbraw/zinc/43/77/20/1409437720.db2.gz GVFSVTHXXWWNAG-HOTGVXAUSA-N 1 0 390.484 3.256 20 5 GGBDRO CC(C)[N@@H+]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000068781360 1409491090 /nfs/dbraw/zinc/49/10/90/1409491090.db2.gz ATBVZKMESZSXCV-UHFFFAOYSA-N 1 0 377.488 3.097 20 5 GGBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000068872117 1409512576 /nfs/dbraw/zinc/51/25/76/1409512576.db2.gz NJFRPLMGZDVNNC-UHFFFAOYSA-N 1 0 375.469 3.279 20 5 GGBDRO O=C(CCN1CCC[N@H+](Cc2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000068967074 1409535236 /nfs/dbraw/zinc/53/52/36/1409535236.db2.gz ZWTBDWBPNWHADA-UHFFFAOYSA-N 1 0 382.464 3.131 20 5 GGBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000069043479 1409551314 /nfs/dbraw/zinc/55/13/14/1409551314.db2.gz QCAODPHPQBUTJX-UHFFFAOYSA-N 1 0 376.501 3.149 20 5 GGBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000176698327 1428416729 /nfs/dbraw/zinc/41/67/29/1428416729.db2.gz BIRLVSFXLZDNNV-BZUAXINKSA-N 1 0 395.525 3.081 20 5 GGBDRO Cc1c(C(=O)NCCC[N@@H+](C)C2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000069500058 1409644336 /nfs/dbraw/zinc/64/43/36/1409644336.db2.gz IQFLLWSPYPPJMR-UHFFFAOYSA-N 1 0 378.429 3.196 20 5 GGBDRO CC[NH+]1CCC(n2nccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000069898578 1409721580 /nfs/dbraw/zinc/72/15/80/1409721580.db2.gz WKSRZKKUPXHOQO-UHFFFAOYSA-N 1 0 377.832 3.354 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1cccs1 ZINC000070690545 1409752240 /nfs/dbraw/zinc/75/22/40/1409752240.db2.gz WELATUJBTQVLHC-QGZVFWFLSA-N 1 0 388.493 3.289 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1OC ZINC000070977713 1409810092 /nfs/dbraw/zinc/81/00/92/1409810092.db2.gz PPHQYHXJIZDHBJ-KRWDZBQOSA-N 1 0 387.436 3.035 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cc1SC ZINC000071027542 1409814345 /nfs/dbraw/zinc/81/43/45/1409814345.db2.gz DYYBKORGGKESDJ-UHFFFAOYSA-N 1 0 385.405 3.158 20 5 GGBDRO COc1ccc(CSCC(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cc1[N+](=O)[O-] ZINC000071028021 1409814421 /nfs/dbraw/zinc/81/44/21/1409814421.db2.gz HBPSOKSMALWLCA-UHFFFAOYSA-N 1 0 399.432 3.056 20 5 GGBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000176720906 1428433345 /nfs/dbraw/zinc/43/33/45/1428433345.db2.gz LXEUSRWTJPEBPG-WMLDXEAASA-N 1 0 398.419 3.286 20 5 GGBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CNC[C@@H](O)C[NH+]2CCCC2)o1 ZINC000072058803 1409842964 /nfs/dbraw/zinc/84/29/64/1409842964.db2.gz POUOZUYOFMYFGV-CQSZACIVSA-N 1 0 379.844 3.055 20 5 GGBDRO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3n[nH]c(C)c3[N+](=O)[O-])ccc21 ZINC000072061778 1409843327 /nfs/dbraw/zinc/84/33/27/1409843327.db2.gz OORWGDLWZNZZQJ-UHFFFAOYSA-N 1 0 384.440 3.175 20 5 GGBDRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000072100305 1409848991 /nfs/dbraw/zinc/84/89/91/1409848991.db2.gz ZXEJYGTZVDCFKH-UHFFFAOYSA-N 1 0 390.440 3.422 20 5 GGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000072620816 1409851739 /nfs/dbraw/zinc/85/17/39/1409851739.db2.gz SKELCDLXHDJZTA-INIZCTEOSA-N 1 0 376.501 3.435 20 5 GGBDRO COc1ccc(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000072809264 1409853606 /nfs/dbraw/zinc/85/36/06/1409853606.db2.gz MJFJGMNTMFWYTJ-HOTGVXAUSA-N 1 0 375.469 3.330 20 5 GGBDRO C[C@H](CNC(=O)c1cc2ccccc2c2cccnc12)C[NH+]1CCN(C)CC1 ZINC000074137861 1409869279 /nfs/dbraw/zinc/86/92/79/1409869279.db2.gz VSMXVLPPOUNQER-QGZVFWFLSA-N 1 0 376.504 3.001 20 5 GGBDRO Cc1n[nH]c(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000078720410 1409934040 /nfs/dbraw/zinc/93/40/40/1409934040.db2.gz KYAUGOGGXCVMMZ-UHFFFAOYSA-N 1 0 393.447 3.285 20 5 GGBDRO COC(=O)c1ccc(C[N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000091829159 1410084473 /nfs/dbraw/zinc/08/44/73/1410084473.db2.gz JUAQASJVPSKMLM-UHFFFAOYSA-N 1 0 394.431 3.414 20 5 GGBDRO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000092188417 1410117878 /nfs/dbraw/zinc/11/78/78/1410117878.db2.gz CJGMPAZZMAOBFC-MRXNPFEDSA-N 1 0 386.477 3.313 20 5 GGBDRO Cn1cc(CN2CCC[C@@H]2C[NH+]2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092218643 1410120386 /nfs/dbraw/zinc/12/03/86/1410120386.db2.gz AXVZZIOHHBOUJI-HXUWFJFHSA-N 1 0 383.496 3.446 20 5 GGBDRO CCOc1cc(N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000092642467 1410180893 /nfs/dbraw/zinc/18/08/93/1410180893.db2.gz JOEVIXLWCKAPBE-HOTGVXAUSA-N 1 0 377.485 3.319 20 5 GGBDRO COc1cc(CN2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000092938526 1410210604 /nfs/dbraw/zinc/21/06/04/1410210604.db2.gz IKRAICPSLUANHG-ZDUSSCGKSA-N 1 0 391.390 3.071 20 5 GGBDRO Cc1ccc(Sc2ccc(C[N@H+](CCO)CCCO)cc2[N+](=O)[O-])cc1 ZINC000093323879 1410234820 /nfs/dbraw/zinc/23/48/20/1410234820.db2.gz RMMLXJQKFMCMNV-UHFFFAOYSA-N 1 0 376.478 3.231 20 5 GGBDRO COC[C@H]1CCC[N@H+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000093337721 1410235346 /nfs/dbraw/zinc/23/53/46/1410235346.db2.gz CIKOTGXKORFBMT-LBPRGKRZSA-N 1 0 392.374 3.403 20 5 GGBDRO COC(=O)CCC1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000093341400 1410237392 /nfs/dbraw/zinc/23/73/92/1410237392.db2.gz IKVPFGDQCXYZIC-UHFFFAOYSA-N 1 0 386.452 3.161 20 5 GGBDRO COc1cc(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000093482642 1410248072 /nfs/dbraw/zinc/24/80/72/1410248072.db2.gz FXBDGYYJCBCZBV-YPMHNXCESA-N 1 0 392.374 3.280 20 5 GGBDRO COc1cc(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000093482644 1410248449 /nfs/dbraw/zinc/24/84/49/1410248449.db2.gz FXBDGYYJCBCZBV-DGCLKSJQSA-N 1 0 392.374 3.280 20 5 GGBDRO Cc1ncc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1-c1ccccc1 ZINC000093534448 1410250974 /nfs/dbraw/zinc/25/09/74/1410250974.db2.gz UYVTWGDEHCKILJ-MRXNPFEDSA-N 1 0 378.436 3.170 20 5 GGBDRO COc1nc2ccccc2cc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534352 1410251046 /nfs/dbraw/zinc/25/10/46/1410251046.db2.gz YLLYNKLYCYXMSB-MRXNPFEDSA-N 1 0 379.420 3.233 20 5 GGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(OCC(F)F)cc3)C2)nc1 ZINC000093534310 1410251085 /nfs/dbraw/zinc/25/10/85/1410251085.db2.gz DPWHGUZBLCBZCH-CQSZACIVSA-N 1 0 378.379 3.320 20 5 GGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(OCC(F)F)cc3)C2)nc1 ZINC000093534309 1410251126 /nfs/dbraw/zinc/25/11/26/1410251126.db2.gz DPWHGUZBLCBZCH-AWEZNQCLSA-N 1 0 378.379 3.320 20 5 GGBDRO COCCCOc1cccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000093534890 1410251949 /nfs/dbraw/zinc/25/19/49/1410251949.db2.gz ZZNWIEUOPKKLPC-KRWDZBQOSA-N 1 0 386.452 3.092 20 5 GGBDRO Cn1cc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093683373 1410259421 /nfs/dbraw/zinc/25/94/21/1410259421.db2.gz CYGDJNNFZCGLMO-KRWDZBQOSA-N 1 0 383.496 3.303 20 5 GGBDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000093899389 1410280086 /nfs/dbraw/zinc/28/00/86/1410280086.db2.gz FLZVZBATDJMJFI-ZDUSSCGKSA-N 1 0 375.400 3.340 20 5 GGBDRO CC[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)N1CCOCC1 ZINC000176804528 1428471462 /nfs/dbraw/zinc/47/14/62/1428471462.db2.gz RSLDYLXBFBGNIC-KRWDZBQOSA-N 1 0 389.477 3.050 20 5 GGBDRO CN(CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000094122651 1410305482 /nfs/dbraw/zinc/30/54/82/1410305482.db2.gz AQMATLQOZBOGQF-UHFFFAOYSA-N 1 0 382.464 3.308 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000094130264 1410306584 /nfs/dbraw/zinc/30/65/84/1410306584.db2.gz BIJUQUVEWBAIDQ-UHFFFAOYSA-N 1 0 389.496 3.285 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+](CCc3ccccc3)[C@@H]3CCOC3)n2)cc1 ZINC000176806237 1428472624 /nfs/dbraw/zinc/47/26/24/1428472624.db2.gz JPFQICDFPDMGFO-HXUWFJFHSA-N 1 0 393.447 3.144 20 5 GGBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000097253011 1410360650 /nfs/dbraw/zinc/36/06/50/1410360650.db2.gz ZUSBOCVGNKJBMD-GASCZTMLSA-N 1 0 377.485 3.121 20 5 GGBDRO C[NH+](C)CC1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3N)cc2)CC1 ZINC000176816341 1428479176 /nfs/dbraw/zinc/47/91/76/1428479176.db2.gz FPCKZUGLEFTGAK-UHFFFAOYSA-N 1 0 397.479 3.207 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N3CCC[N@@H+](C)CC3)cc2[N+](=O)[O-])n1 ZINC000097617270 1410384982 /nfs/dbraw/zinc/38/49/82/1410384982.db2.gz MZDBHSOBHNJPJB-UHFFFAOYSA-N 1 0 392.506 3.289 20 5 GGBDRO Cc1nn(C)c(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000098098845 1410414984 /nfs/dbraw/zinc/41/49/84/1410414984.db2.gz FXISXNAAJAAMIE-HUUCEWRRSA-N 1 0 399.495 3.045 20 5 GGBDRO C[NH+]1CCC(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000101522907 1410447421 /nfs/dbraw/zinc/44/74/21/1410447421.db2.gz HBBLKEDNGQZXFR-UHFFFAOYSA-N 1 0 382.464 3.279 20 5 GGBDRO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000101920257 1410523871 /nfs/dbraw/zinc/52/38/71/1410523871.db2.gz BPVBRRCVBHKPBB-MRXNPFEDSA-N 1 0 388.399 3.009 20 5 GGBDRO CCS(=O)(=O)N(C)CCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000102422523 1410625663 /nfs/dbraw/zinc/62/56/63/1410625663.db2.gz PIQLSZDLZSJWGZ-UHFFFAOYSA-N 1 0 397.522 3.085 20 5 GGBDRO CC1CCN(c2ccc(C(=O)NCCC3CC[NH+](C)CC3)cc2[N+](=O)[O-])CC1 ZINC000102640937 1410683667 /nfs/dbraw/zinc/68/36/67/1410683667.db2.gz LYTXICCAZUIZSJ-UHFFFAOYSA-N 1 0 388.512 3.293 20 5 GGBDRO Cc1c(C(=O)Nc2ccc(CC[NH+](C)C)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000102731348 1410715880 /nfs/dbraw/zinc/71/58/80/1410715880.db2.gz DLQJGWKFPWZWJM-UHFFFAOYSA-N 1 0 386.408 3.476 20 5 GGBDRO COCCC[N@@H+]1Cc2cccc(N[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)c2C1 ZINC000102779352 1410748539 /nfs/dbraw/zinc/74/85/39/1410748539.db2.gz JZFVRVQVTKSRTR-OAHLLOKOSA-N 1 0 398.463 3.386 20 5 GGBDRO C[NH+](C)CCCOc1ccc(CNc2nc3sccn3c2[N+](=O)[O-])cc1 ZINC000103135209 1410830456 /nfs/dbraw/zinc/83/04/56/1410830456.db2.gz ACYZNWDNCKIGKU-UHFFFAOYSA-N 1 0 375.454 3.247 20 5 GGBDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1C ZINC000103145496 1410832032 /nfs/dbraw/zinc/83/20/32/1410832032.db2.gz IZDQJKXRRHCURA-UHFFFAOYSA-N 1 0 387.436 3.381 20 5 GGBDRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000103251813 1410840797 /nfs/dbraw/zinc/84/07/97/1410840797.db2.gz GULRWEWJARKEGD-UHFFFAOYSA-N 1 0 399.407 3.261 20 5 GGBDRO CC(C)([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(Cl)cc1 ZINC000103482114 1410862581 /nfs/dbraw/zinc/86/25/81/1410862581.db2.gz JDCRNWJADJOPAX-UHFFFAOYSA-N 1 0 391.811 3.440 20 5 GGBDRO CC(C)CN(CC[NH+](C)C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000104528964 1410898728 /nfs/dbraw/zinc/89/87/28/1410898728.db2.gz AZIPBSFPPGOWMR-UHFFFAOYSA-N 1 0 379.504 3.201 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCN(c4ccccc4O)CC3)o2)c1 ZINC000104661503 1410922143 /nfs/dbraw/zinc/92/21/43/1410922143.db2.gz RNYYOKDVGDDXNH-UHFFFAOYSA-N 1 0 394.431 3.320 20 5 GGBDRO CCOC(=O)N[C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104674330 1410924812 /nfs/dbraw/zinc/92/48/12/1410924812.db2.gz DSXIYIMVIPMRCP-OAHLLOKOSA-N 1 0 388.424 3.003 20 5 GGBDRO CCCNC(=O)[C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104680175 1410926687 /nfs/dbraw/zinc/92/66/87/1410926687.db2.gz HGSUXRNXBOYIDJ-MRXNPFEDSA-N 1 0 386.452 3.031 20 5 GGBDRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000104855608 1410980813 /nfs/dbraw/zinc/98/08/13/1410980813.db2.gz GHYUHCBUZPTSLM-UHFFFAOYSA-N 1 0 386.427 3.019 20 5 GGBDRO CC[C@H](N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1nc(C)cs1 ZINC000105407451 1411063816 /nfs/dbraw/zinc/06/38/16/1411063816.db2.gz GVNATDIDIYJBHP-AAEUAGOBSA-N 1 0 378.454 3.436 20 5 GGBDRO COc1ccc(C[NH2+]CCc2nc(C)no2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000105469744 1411069834 /nfs/dbraw/zinc/06/98/34/1411069834.db2.gz GGWAOJRDDWGNPI-UHFFFAOYSA-N 1 0 398.419 3.206 20 5 GGBDRO CN1CCO[C@H](C[NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000105471698 1411070278 /nfs/dbraw/zinc/07/02/78/1411070278.db2.gz NXRAGTUWWYOEEE-OAHLLOKOSA-N 1 0 391.855 3.461 20 5 GGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](c2cccc(Cl)c2)N2CCOCC2)cc1 ZINC000105486039 1411071342 /nfs/dbraw/zinc/07/13/42/1411071342.db2.gz BHQWUFLSTKLFRG-LJQANCHMSA-N 1 0 375.856 3.411 20 5 GGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](c2cccc(Cl)c2)N2CCOCC2)cs1 ZINC000105485913 1411071480 /nfs/dbraw/zinc/07/14/80/1411071480.db2.gz DZLOWUAJOTZHLK-INIZCTEOSA-N 1 0 381.885 3.473 20 5 GGBDRO COc1cccc([C@H](CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000105597693 1411090138 /nfs/dbraw/zinc/09/01/38/1411090138.db2.gz MMKCERGXDCAGEO-SFHVURJKSA-N 1 0 389.477 3.358 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000105717725 1411111238 /nfs/dbraw/zinc/11/12/38/1411111238.db2.gz YOMLEMXJVRTOLK-UHFFFAOYSA-N 1 0 397.479 3.469 20 5 GGBDRO CN(CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000176988425 1428542777 /nfs/dbraw/zinc/54/27/77/1428542777.db2.gz FZBFHBYBXLRKGT-UHFFFAOYSA-N 1 0 397.454 3.356 20 5 GGBDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)Cc3ccccc3[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000106083667 1411166151 /nfs/dbraw/zinc/16/61/51/1411166151.db2.gz RENZEUBDDDGDCA-IAGOWNOFSA-N 1 0 397.475 3.063 20 5 GGBDRO Cn1cc(CNC2CC[NH+](C3CCCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000176992269 1428544231 /nfs/dbraw/zinc/54/42/31/1428544231.db2.gz SMZOFQAXFVCKAV-UHFFFAOYSA-N 1 0 383.496 3.492 20 5 GGBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@H]([NH+](C)C)C3)cc2[N+](=O)[O-])C1 ZINC000106363504 1411207313 /nfs/dbraw/zinc/20/73/13/1411207313.db2.gz OFKVABRJHCSBLD-NUJGCVRESA-N 1 0 388.512 3.243 20 5 GGBDRO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1ccc([N+](=O)[O-])o1 ZINC000106829689 1411307998 /nfs/dbraw/zinc/30/79/98/1411307998.db2.gz BRFJAYLJNCIKAL-UHFFFAOYSA-N 1 0 377.828 3.483 20 5 GGBDRO C[NH+](C)CCCOc1ccc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1 ZINC000107194864 1411349834 /nfs/dbraw/zinc/34/98/34/1411349834.db2.gz DOKLUSGYPCNKQR-UHFFFAOYSA-N 1 0 379.363 3.456 20 5 GGBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000107637909 1411394526 /nfs/dbraw/zinc/39/45/26/1411394526.db2.gz HXBQAOJGVHSKLV-HNNXBMFYSA-N 1 0 382.464 3.339 20 5 GGBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000107637905 1411394736 /nfs/dbraw/zinc/39/47/36/1411394736.db2.gz HXBQAOJGVHSKLV-OAHLLOKOSA-N 1 0 382.464 3.339 20 5 GGBDRO O=[N+]([O-])c1c(NCCN2CC[NH+](Cc3ccccc3)CC2)ccc2ncccc21 ZINC000108098588 1411438220 /nfs/dbraw/zinc/43/82/20/1411438220.db2.gz WUGLZGBZSJTTNF-UHFFFAOYSA-N 1 0 391.475 3.373 20 5 GGBDRO CC1CCN(c2ccc(C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)cc2[N+](=O)[O-])CC1 ZINC000108305382 1411469688 /nfs/dbraw/zinc/46/96/88/1411469688.db2.gz MLQPKEPOJIDJDC-GOSISDBHSA-N 1 0 386.496 3.045 20 5 GGBDRO CCCO[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000108394259 1411488323 /nfs/dbraw/zinc/48/83/23/1411488323.db2.gz RERYWFJYEJUCMS-INIZCTEOSA-N 1 0 379.457 3.213 20 5 GGBDRO CCCO[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000108394256 1411488821 /nfs/dbraw/zinc/48/88/21/1411488821.db2.gz RERYWFJYEJUCMS-MRXNPFEDSA-N 1 0 379.457 3.213 20 5 GGBDRO Cc1cc(C(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)ccc1[N+](=O)[O-] ZINC000109049054 1411670864 /nfs/dbraw/zinc/67/08/64/1411670864.db2.gz KVNPOOVTEVYPSN-INIZCTEOSA-N 1 0 383.448 3.054 20 5 GGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H](c4nnc5ccccn54)C3)nc2c1 ZINC000177091935 1428585599 /nfs/dbraw/zinc/58/55/99/1428585599.db2.gz DDJVLZUEIXZKQK-ZDUSSCGKSA-N 1 0 378.392 3.158 20 5 GGBDRO O=C1[C@@H]([NH+]2CCC(c3ccc(O)cc3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109130691 1411691427 /nfs/dbraw/zinc/69/14/27/1411691427.db2.gz NFEKSTVDBXUXAP-FQEVSTJZSA-N 1 0 381.432 3.285 20 5 GGBDRO COc1ccc([C@@H]([NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C2CC2)cc1 ZINC000109147300 1411694448 /nfs/dbraw/zinc/69/44/48/1411694448.db2.gz PNTOCIGWBNWJBZ-PMACEKPBSA-N 1 0 381.432 3.450 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000109188949 1411708035 /nfs/dbraw/zinc/70/80/35/1411708035.db2.gz KBRPXAVCYWTWTD-UHFFFAOYSA-N 1 0 398.463 3.386 20 5 GGBDRO CCOc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+](CC)CC)cc1[N+](=O)[O-] ZINC000109301724 1411735719 /nfs/dbraw/zinc/73/57/19/1411735719.db2.gz GLAKMSZDEWKZNQ-INIZCTEOSA-N 1 0 375.425 3.399 20 5 GGBDRO CC(C)C[NH+]1CCC(Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC1 ZINC000109305880 1411737823 /nfs/dbraw/zinc/73/78/23/1411737823.db2.gz VDYULQQEFIMKPM-UHFFFAOYSA-N 1 0 385.468 3.092 20 5 GGBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000109312936 1411738589 /nfs/dbraw/zinc/73/85/89/1411738589.db2.gz CCPCLFUHNATFHR-GOSISDBHSA-N 1 0 398.463 3.125 20 5 GGBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000109312941 1411738606 /nfs/dbraw/zinc/73/86/06/1411738606.db2.gz CCPCLFUHNATFHR-SFHVURJKSA-N 1 0 398.463 3.125 20 5 GGBDRO C[NH+](C)CCCOC1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000177097994 1428587401 /nfs/dbraw/zinc/58/74/01/1428587401.db2.gz DFPMHYQBLVBHRS-UHFFFAOYSA-N 1 0 391.512 3.465 20 5 GGBDRO CCCNC(=O)C1([NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCCCC1 ZINC000177120477 1428593702 /nfs/dbraw/zinc/59/37/02/1428593702.db2.gz NWFLUZCEQFWHSG-UHFFFAOYSA-N 1 0 396.875 3.005 20 5 GGBDRO COc1ccc(OC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)c([N+](=O)[O-])c1 ZINC000109477389 1411771743 /nfs/dbraw/zinc/77/17/43/1411771743.db2.gz ULVXSXSNNURGHJ-UHFFFAOYSA-N 1 0 399.447 3.353 20 5 GGBDRO O=[N+]([O-])c1cnn(CCc2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)c1 ZINC000109569890 1411789356 /nfs/dbraw/zinc/78/93/56/1411789356.db2.gz OPUCAAYPCFIDEL-UHFFFAOYSA-N 1 0 382.424 3.070 20 5 GGBDRO Cc1nn(C)c(-c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)c1[N+](=O)[O-] ZINC000109569758 1411789423 /nfs/dbraw/zinc/78/94/23/1411789423.db2.gz CUJMPEABROJDIS-UHFFFAOYSA-N 1 0 382.424 3.340 20 5 GGBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000110199149 1411837054 /nfs/dbraw/zinc/83/70/54/1411837054.db2.gz OYSPJAXFIOOKJI-UHFFFAOYSA-N 1 0 381.476 3.304 20 5 GGBDRO Cc1c(C(=O)NCCCCC[NH+]2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000110438703 1411850877 /nfs/dbraw/zinc/85/08/77/1411850877.db2.gz LGFRBQWSYCUTLT-UHFFFAOYSA-N 1 0 378.429 3.197 20 5 GGBDRO O=C(NCCCCC[NH+]1CCCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000110437236 1411850925 /nfs/dbraw/zinc/85/09/25/1411850925.db2.gz CHHPOQDFKBCYEC-UHFFFAOYSA-N 1 0 385.468 3.167 20 5 GGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)cc1 ZINC000110442018 1411851177 /nfs/dbraw/zinc/85/11/77/1411851177.db2.gz LAWZNZQJJQANDN-UHFFFAOYSA-N 1 0 379.420 3.462 20 5 GGBDRO C[NH+](C)CCCOc1cccc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000110488372 1411852554 /nfs/dbraw/zinc/85/25/54/1411852554.db2.gz PBDJIKLOHGBFII-UHFFFAOYSA-N 1 0 391.399 3.082 20 5 GGBDRO CC[N@@H+]1CCCN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000110815352 1411871769 /nfs/dbraw/zinc/87/17/69/1411871769.db2.gz HKPAWPVZGZQRCC-CALCHBBNSA-N 1 0 388.512 3.245 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000110880763 1411875354 /nfs/dbraw/zinc/87/53/54/1411875354.db2.gz JIDYCWDBTHWYTG-MRXNPFEDSA-N 1 0 384.436 3.118 20 5 GGBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000111048534 1411884280 /nfs/dbraw/zinc/88/42/80/1411884280.db2.gz VHSLKCXFQSUESV-HNNXBMFYSA-N 1 0 391.493 3.311 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000111048952 1411884530 /nfs/dbraw/zinc/88/45/30/1411884530.db2.gz LLGWICWVOYBUGO-HNNXBMFYSA-N 1 0 391.493 3.311 20 5 GGBDRO CC[NH+](CC)[C@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000111071026 1411885881 /nfs/dbraw/zinc/88/58/81/1411885881.db2.gz QJXRJDVFVGGLQV-NRFANRHFSA-N 1 0 396.491 3.327 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCCN1C(=O)c2ccccc2C1=O ZINC000111394089 1411939399 /nfs/dbraw/zinc/93/93/99/1411939399.db2.gz WKKCNXLUPCGGGH-UHFFFAOYSA-N 1 0 397.431 3.160 20 5 GGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CNCC2([NH+]3CCCCC3)CCOCC2)c1 ZINC000111403759 1411942656 /nfs/dbraw/zinc/94/26/56/1411942656.db2.gz XHJLDQAHHDVQRL-UHFFFAOYSA-N 1 0 399.438 3.321 20 5 GGBDRO C[C@H]1C[C@H](NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177177729 1428616658 /nfs/dbraw/zinc/61/66/58/1428616658.db2.gz GJJUVGXSOODECT-RDJZCZTQSA-N 1 0 386.496 3.186 20 5 GGBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000112532111 1412164285 /nfs/dbraw/zinc/16/42/85/1412164285.db2.gz NEMQTDQSKJDUDZ-HUUCEWRRSA-N 1 0 380.448 3.474 20 5 GGBDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)cc1 ZINC000112644974 1412186042 /nfs/dbraw/zinc/18/60/42/1412186042.db2.gz SUXDZIRLMINBRI-UHFFFAOYSA-N 1 0 386.452 3.458 20 5 GGBDRO CC(C)C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H](O)c1ccc(F)cc1 ZINC000112656144 1412187808 /nfs/dbraw/zinc/18/78/08/1412187808.db2.gz SZRHOTKDNPLBMK-IBGZPJMESA-N 1 0 389.427 3.364 20 5 GGBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000112918545 1412240272 /nfs/dbraw/zinc/24/02/72/1412240272.db2.gz VVNHTKJINSPXKT-UHFFFAOYSA-N 1 0 399.495 3.365 20 5 GGBDRO CN(C(=O)COc1ccc([N+](=O)[O-])cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113092765 1412260665 /nfs/dbraw/zinc/26/06/65/1412260665.db2.gz GFNKMWRLECUVEA-UHFFFAOYSA-N 1 0 383.448 3.097 20 5 GGBDRO CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113092704 1412260998 /nfs/dbraw/zinc/26/09/98/1412260998.db2.gz CEALKTGLVIXEBP-UHFFFAOYSA-N 1 0 398.419 3.240 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000113899669 1412347417 /nfs/dbraw/zinc/34/74/17/1412347417.db2.gz AVWKEWIMWUMHSG-IRXDYDNUSA-N 1 0 388.512 3.387 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000113901311 1412347683 /nfs/dbraw/zinc/34/76/83/1412347683.db2.gz WPHGZRBARYYATI-CABCVRRESA-N 1 0 390.440 3.230 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000113901115 1412347687 /nfs/dbraw/zinc/34/76/87/1412347687.db2.gz LHPAZSQKPPKSAX-IRXDYDNUSA-N 1 0 375.469 3.087 20 5 GGBDRO Cc1ccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c(C[NH+](C)C)c1 ZINC000113912645 1412350935 /nfs/dbraw/zinc/35/09/35/1412350935.db2.gz ZDVJLNOCDGZBFB-UHFFFAOYSA-N 1 0 379.420 3.403 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000113933953 1412354387 /nfs/dbraw/zinc/35/43/87/1412354387.db2.gz LLJNJOLSCIWFGD-ROUUACIJSA-N 1 0 388.512 3.428 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000113934720 1412354887 /nfs/dbraw/zinc/35/48/87/1412354887.db2.gz QGDSOFKVRGTEQL-QZTJIDSGSA-N 1 0 388.512 3.144 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000113945136 1412357258 /nfs/dbraw/zinc/35/72/58/1412357258.db2.gz ICENINURMDFYAZ-IRXDYDNUSA-N 1 0 395.525 3.178 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000113945037 1412357467 /nfs/dbraw/zinc/35/74/67/1412357467.db2.gz VPACJRGINARQHY-GJZGRUSLSA-N 1 0 399.488 3.009 20 5 GGBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000113945111 1412357506 /nfs/dbraw/zinc/35/75/06/1412357506.db2.gz ZLGDSYUYGQRFTQ-DLBZAZTESA-N 1 0 395.525 3.178 20 5 GGBDRO Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c(C[NH+](C)C)c1 ZINC000114054132 1412377972 /nfs/dbraw/zinc/37/79/72/1412377972.db2.gz BXUXHLZQFBSJGI-UHFFFAOYSA-N 1 0 377.466 3.382 20 5 GGBDRO CC(C)C[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[NH+](C)C ZINC000114140442 1412383031 /nfs/dbraw/zinc/38/30/31/1412383031.db2.gz GLQXCJNAKFYDSB-QGZVFWFLSA-N 1 0 379.504 3.247 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000114192044 1412391678 /nfs/dbraw/zinc/39/16/78/1412391678.db2.gz ONDPVGRYZUZYGQ-HXUWFJFHSA-N 1 0 383.448 3.214 20 5 GGBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC1CC[NH+](C2CCCCC2)CC1 ZINC000177242234 1428646857 /nfs/dbraw/zinc/64/68/57/1428646857.db2.gz RYXUMSJBQBQLLD-UHFFFAOYSA-N 1 0 375.469 3.277 20 5 GGBDRO O=[N+]([O-])c1cc(C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)c2c(c1)COCO2 ZINC000114469498 1412441194 /nfs/dbraw/zinc/44/11/94/1412441194.db2.gz ATTAQINQXMVVND-HXUWFJFHSA-N 1 0 384.432 3.333 20 5 GGBDRO Cc1c(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000114643896 1412485069 /nfs/dbraw/zinc/48/50/69/1412485069.db2.gz KQBOVWYVVUVVLT-MRXNPFEDSA-N 1 0 398.419 3.206 20 5 GGBDRO COc1ccc(CN(C)C2CC[NH+](CCc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000177255283 1428655516 /nfs/dbraw/zinc/65/55/16/1428655516.db2.gz VFMYQTJYGPYQIZ-UHFFFAOYSA-N 1 0 384.480 3.137 20 5 GGBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CCN(CCc2ccccn2)CC1 ZINC000177259212 1428657258 /nfs/dbraw/zinc/65/72/58/1428657258.db2.gz MOFWAANTFZCSJY-UHFFFAOYSA-N 1 0 398.507 3.398 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000115271032 1412627289 /nfs/dbraw/zinc/62/72/89/1412627289.db2.gz OMMSDZCEEXIQPU-CZUORRHYSA-N 1 0 383.876 3.115 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(SC)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000115271010 1412627543 /nfs/dbraw/zinc/62/75/43/1412627543.db2.gz AYEAJAZNCCREHW-PBHICJAKSA-N 1 0 395.525 3.184 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000115271085 1412627976 /nfs/dbraw/zinc/62/79/76/1412627976.db2.gz KDUJUICTMNRYEX-CXAGYDPISA-N 1 0 383.876 3.115 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000115274834 1412630533 /nfs/dbraw/zinc/63/05/33/1412630533.db2.gz GAPYSZJXOQJEHY-CZUORRHYSA-N 1 0 383.876 3.115 20 5 GGBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000115487503 1412690149 /nfs/dbraw/zinc/69/01/49/1412690149.db2.gz VRSCJMPEQVDSJY-UHFFFAOYSA-N 1 0 397.479 3.096 20 5 GGBDRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000115512600 1412698439 /nfs/dbraw/zinc/69/84/39/1412698439.db2.gz APSIRNXWKUKNKS-NVXWUHKLSA-N 1 0 394.431 3.199 20 5 GGBDRO Cc1c(NC(=O)[C@H](C)N2CC[NH+](C3CCC(C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000115566886 1412714085 /nfs/dbraw/zinc/71/40/85/1412714085.db2.gz MWWKRQLEFVZAJT-NXYGQSRBSA-N 1 0 388.512 3.427 20 5 GGBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCN(c2ccccc2)C1=O ZINC000115571061 1412715097 /nfs/dbraw/zinc/71/50/97/1412715097.db2.gz IKLMOGZFPYDIIC-IBGZPJMESA-N 1 0 396.447 3.051 20 5 GGBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115571059 1412715182 /nfs/dbraw/zinc/71/51/82/1412715182.db2.gz IKLMOGZFPYDIIC-LJQANCHMSA-N 1 0 396.447 3.051 20 5 GGBDRO COc1ccc(-c2ccc(C[NH2+]CCOC[C@@H]3CCCO3)o2)c([N+](=O)[O-])c1 ZINC000115624788 1412736423 /nfs/dbraw/zinc/73/64/23/1412736423.db2.gz NTAYUCMVMMPBMS-INIZCTEOSA-N 1 0 376.409 3.149 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000115745304 1412776762 /nfs/dbraw/zinc/77/67/62/1412776762.db2.gz SQYDISFUVSHYNY-WBVHZDCISA-N 1 0 378.473 3.162 20 5 GGBDRO CCOc1cc(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000115904829 1412813757 /nfs/dbraw/zinc/81/37/57/1412813757.db2.gz VSTUMLZDYICGDB-VLIAUNLRSA-N 1 0 393.484 3.242 20 5 GGBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000177301836 1428678729 /nfs/dbraw/zinc/67/87/29/1428678729.db2.gz NGCGNQUPCFIZHI-UHFFFAOYSA-N 1 0 379.420 3.403 20 5 GGBDRO C[NH+](C)CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)C(C)(C)C ZINC000116128632 1412834657 /nfs/dbraw/zinc/83/46/57/1412834657.db2.gz OYGRFVWXDLUWRA-AWEZNQCLSA-N 1 0 386.290 3.454 20 5 GGBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000116215807 1412843412 /nfs/dbraw/zinc/84/34/12/1412843412.db2.gz KYOWOFHTCIARFD-INIZCTEOSA-N 1 0 382.464 3.349 20 5 GGBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000116216030 1412843803 /nfs/dbraw/zinc/84/38/03/1412843803.db2.gz ZYRZSCFNJFRRPX-ZDUSSCGKSA-N 1 0 386.427 3.272 20 5 GGBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000177306265 1428680959 /nfs/dbraw/zinc/68/09/59/1428680959.db2.gz BKIUGGOOONFWFU-UHFFFAOYSA-N 1 0 380.404 3.059 20 5 GGBDRO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000116363544 1412852873 /nfs/dbraw/zinc/85/28/73/1412852873.db2.gz YVLDCJCQUMXRHF-AEFFLSMTSA-N 1 0 399.495 3.168 20 5 GGBDRO Cc1c(C(=O)Nc2cc(C[NH+](C)C)ccc2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000177309614 1428681610 /nfs/dbraw/zinc/68/16/10/1428681610.db2.gz KVPANIRBZHRTOP-UHFFFAOYSA-N 1 0 394.435 3.106 20 5 GGBDRO CCCC[NH+]1CCC(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116758031 1412917014 /nfs/dbraw/zinc/91/70/14/1412917014.db2.gz LYOUZISZBNHPPI-UHFFFAOYSA-N 1 0 383.876 3.398 20 5 GGBDRO C[NH+](C)CCOc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1Cl ZINC000116816045 1412928913 /nfs/dbraw/zinc/92/89/13/1412928913.db2.gz UOMHMYLFHSDPMN-UHFFFAOYSA-N 1 0 393.827 3.206 20 5 GGBDRO C[NH+](C)CCOc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000116817328 1412930624 /nfs/dbraw/zinc/93/06/24/1412930624.db2.gz QCPXZJACTXVMNA-UHFFFAOYSA-N 1 0 393.827 3.206 20 5 GGBDRO C[S@@](=O)CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000116919909 1412955310 /nfs/dbraw/zinc/95/53/10/1412955310.db2.gz DZJJWHHSLHOXHM-NDEPHWFRSA-N 1 0 398.488 3.306 20 5 GGBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000177324978 1428690466 /nfs/dbraw/zinc/69/04/66/1428690466.db2.gz APLYLVLOUJCZCB-UHFFFAOYSA-N 1 0 379.420 3.403 20 5 GGBDRO C[N@H+](CCCOc1ccccc1)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117335391 1413026437 /nfs/dbraw/zinc/02/64/37/1413026437.db2.gz CHWNIKRXYLVEJQ-UHFFFAOYSA-N 1 0 385.420 3.294 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000117601636 1413055548 /nfs/dbraw/zinc/05/55/48/1413055548.db2.gz XOGRWHFUMYOZOB-UHFFFAOYSA-N 1 0 387.867 3.355 20 5 GGBDRO C[NH+](C)CCOc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000117618068 1413056746 /nfs/dbraw/zinc/05/67/46/1413056746.db2.gz VXPDSXUUNRCXNL-UHFFFAOYSA-N 1 0 377.828 3.370 20 5 GGBDRO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1ccccc1 ZINC000117660875 1413062076 /nfs/dbraw/zinc/06/20/76/1413062076.db2.gz XRTTXXVEXMPGSK-CQSZACIVSA-N 1 0 375.856 3.427 20 5 GGBDRO C[C@@H]1CCC[C@@](CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)([NH+](C)C)C1 ZINC000117704703 1413067849 /nfs/dbraw/zinc/06/78/49/1413067849.db2.gz WDTZWCKNLPZYBR-FOIQADDNSA-N 1 0 385.468 3.021 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000117760720 1413076441 /nfs/dbraw/zinc/07/64/41/1413076441.db2.gz QTLUQBUJPNJXNJ-KRWDZBQOSA-N 1 0 379.819 3.349 20 5 GGBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000117771712 1413077870 /nfs/dbraw/zinc/07/78/70/1413077870.db2.gz CNNRPMWNQHBCRO-UHFFFAOYSA-N 1 0 379.844 3.283 20 5 GGBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000177356308 1428703699 /nfs/dbraw/zinc/70/36/99/1428703699.db2.gz MKACYGBNVQDJKY-UHFFFAOYSA-N 1 0 379.420 3.403 20 5 GGBDRO COc1ccc(C(=O)N2CCC([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)cc1OC ZINC000118452135 1413162006 /nfs/dbraw/zinc/16/20/06/1413162006.db2.gz ADNFASXMIDDDFD-UHFFFAOYSA-N 1 0 399.447 3.006 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177381707 1428712071 /nfs/dbraw/zinc/71/20/71/1428712071.db2.gz YUFJSZJMDANADP-UHFFFAOYSA-N 1 0 390.484 3.200 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C(C)(C)c1nc(C)cs1 ZINC000118849129 1413244913 /nfs/dbraw/zinc/24/49/13/1413244913.db2.gz UCAZEWZVJXIKAP-UHFFFAOYSA-N 1 0 378.454 3.222 20 5 GGBDRO Cc1cc2oc(=O)cc(C[N@@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)c2cc1C ZINC000118866561 1413252746 /nfs/dbraw/zinc/25/27/46/1413252746.db2.gz UTMVWSOQPUQMEP-MRXNPFEDSA-N 1 0 394.431 3.399 20 5 GGBDRO CCc1ccc2c(C[N@@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc(=O)oc2c1 ZINC000118865992 1413253978 /nfs/dbraw/zinc/25/39/78/1413253978.db2.gz IIHBSHNDSRPQDS-MRXNPFEDSA-N 1 0 394.431 3.345 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1Cc2ccccc2N(C)C[C@@H]1C ZINC000177392110 1428715798 /nfs/dbraw/zinc/71/57/98/1428715798.db2.gz MECKCFNZPXHYQL-HNNXBMFYSA-N 1 0 398.463 3.273 20 5 GGBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)[C@@H]1CCC[N@H+](C)C1 ZINC000119129218 1413348342 /nfs/dbraw/zinc/34/83/42/1413348342.db2.gz JBMITMANDOURHT-GOSISDBHSA-N 1 0 382.464 3.373 20 5 GGBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000119347159 1413418947 /nfs/dbraw/zinc/41/89/47/1413418947.db2.gz IMHHUXNLSWYODA-PBHICJAKSA-N 1 0 386.477 3.275 20 5 GGBDRO C[NH+](C)Cc1cccc(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000119381280 1413430115 /nfs/dbraw/zinc/43/01/15/1413430115.db2.gz FWBLMLWYWMSBBS-UHFFFAOYSA-N 1 0 384.480 3.479 20 5 GGBDRO C[C@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C(C)(C)C[NH+](C)C ZINC000119645907 1413514392 /nfs/dbraw/zinc/51/43/92/1413514392.db2.gz ZYBCHBFZKGDKKR-HNNXBMFYSA-N 1 0 392.500 3.124 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000119657335 1413518611 /nfs/dbraw/zinc/51/86/11/1413518611.db2.gz WFLKUNMDTOCCLN-LIRRHRJNSA-N 1 0 387.867 3.427 20 5 GGBDRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000119675832 1413526724 /nfs/dbraw/zinc/52/67/24/1413526724.db2.gz MFDPPRSMYXNFQN-ZDUSSCGKSA-N 1 0 377.441 3.437 20 5 GGBDRO C[C@@H]([NH2+]C(C)(C)CNS(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000119711824 1413541839 /nfs/dbraw/zinc/54/18/39/1413541839.db2.gz KDZLOUSTZDFFCY-GFCCVEGCSA-N 1 0 383.495 3.064 20 5 GGBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000119719225 1413543987 /nfs/dbraw/zinc/54/39/87/1413543987.db2.gz ZHQCPJPCKODTBF-AWEZNQCLSA-N 1 0 383.876 3.111 20 5 GGBDRO COc1cc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000119724374 1413545786 /nfs/dbraw/zinc/54/57/86/1413545786.db2.gz FFWYXAOLAKZIPB-IBGZPJMESA-N 1 0 383.448 3.479 20 5 GGBDRO COc1ccc([C@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C(C)C)cc1 ZINC000119770391 1413562670 /nfs/dbraw/zinc/56/26/70/1413562670.db2.gz ZMKZIETTXDIYEJ-OAQYLSRUSA-N 1 0 383.448 3.479 20 5 GGBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000177442028 1428738181 /nfs/dbraw/zinc/73/81/81/1428738181.db2.gz RSBKJASNMCZJID-SJORKVTESA-N 1 0 377.488 3.144 20 5 GGBDRO O=[N+]([O-])c1cc(C[NH2+]CCCN2CCOCC2)ccc1Oc1ccc(F)cc1 ZINC000119933460 1413622355 /nfs/dbraw/zinc/62/23/55/1413622355.db2.gz VUGOEAOBOXXOOS-UHFFFAOYSA-N 1 0 389.427 3.338 20 5 GGBDRO CSCC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1nnc2ccccn21 ZINC000119944380 1413627129 /nfs/dbraw/zinc/62/71/29/1413627129.db2.gz MVHUXJDAVKRKRR-INIZCTEOSA-N 1 0 387.465 3.100 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000120037820 1413663388 /nfs/dbraw/zinc/66/33/88/1413663388.db2.gz NVNLAUCNGOUGIF-AWEZNQCLSA-N 1 0 393.484 3.242 20 5 GGBDRO CC[NH+](CC)[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000120071154 1413675799 /nfs/dbraw/zinc/67/57/99/1413675799.db2.gz PUWQBUGVLAOPSF-CYBMUJFWSA-N 1 0 399.373 3.150 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000120214493 1413734280 /nfs/dbraw/zinc/73/42/80/1413734280.db2.gz XLJNYPDEXMVINY-GOSISDBHSA-N 1 0 388.512 3.286 20 5 GGBDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000120327345 1413787980 /nfs/dbraw/zinc/78/79/80/1413787980.db2.gz YRLWILQOQUIGGR-ICSRJNTNSA-N 1 0 381.432 3.117 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000120463432 1413823612 /nfs/dbraw/zinc/82/36/12/1413823612.db2.gz JGTKEUTWIJBUQH-LJQANCHMSA-N 1 0 386.427 3.105 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2ncn(CN3CCC[N@H+](CC4CCCCC4)CC3)n2)c1 ZINC000120518073 1413834788 /nfs/dbraw/zinc/83/47/88/1413834788.db2.gz FDDKZAABHZTRBX-UHFFFAOYSA-N 1 0 398.511 3.399 20 5 GGBDRO C[C@@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@@H+]1Cc1ccccc1 ZINC000177477394 1428759158 /nfs/dbraw/zinc/75/91/58/1428759158.db2.gz DGSYRSIRFHHDSC-CZUORRHYSA-N 1 0 386.427 3.099 20 5 GGBDRO C[N@@H+]1CCC[C@@H]1CCN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000120534417 1413838206 /nfs/dbraw/zinc/83/82/06/1413838206.db2.gz BJOFESLUXXPZFX-CQSZACIVSA-N 1 0 386.418 3.220 20 5 GGBDRO C[C@H]1C[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1Cc1ccccc1 ZINC000177479010 1428759637 /nfs/dbraw/zinc/75/96/37/1428759637.db2.gz BYONJOYVAZFEIH-GOEBONIOSA-N 1 0 393.447 3.254 20 5 GGBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000120596874 1413851253 /nfs/dbraw/zinc/85/12/53/1413851253.db2.gz QACFZLZBZZLARE-RDJZCZTQSA-N 1 0 396.875 3.138 20 5 GGBDRO CCO[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1(C)C ZINC000120603240 1413852393 /nfs/dbraw/zinc/85/23/93/1413852393.db2.gz PRWZLCQXPFKMNJ-IRXDYDNUSA-N 1 0 379.457 3.067 20 5 GGBDRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc([N+](=O)[O-])s1 ZINC000120614347 1413855727 /nfs/dbraw/zinc/85/57/27/1413855727.db2.gz VFOZNTOXEUSZCC-UHFFFAOYSA-N 1 0 375.450 3.113 20 5 GGBDRO CN(C(=O)C[NH+]1CCC(c2c[nH]c3ncccc23)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000120617187 1413856810 /nfs/dbraw/zinc/85/68/10/1413856810.db2.gz IVCYINPGORPQRN-UHFFFAOYSA-N 1 0 393.447 3.314 20 5 GGBDRO COc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(C)cn3)CC2)cc1[N+](=O)[O-] ZINC000120638428 1413862632 /nfs/dbraw/zinc/86/26/32/1413862632.db2.gz IYRSXESTKIBNEK-UHFFFAOYSA-N 1 0 384.436 3.158 20 5 GGBDRO CC1CCN(c2ccc(C(=O)N(C)[C@@H]3CC[N@H+](C)C[C@@H]3C)cc2[N+](=O)[O-])CC1 ZINC000120734489 1413888220 /nfs/dbraw/zinc/88/82/20/1413888220.db2.gz WMGHLOLXYUEGFR-FUHWJXTLSA-N 1 0 388.512 3.243 20 5 GGBDRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)cc2)CC1 ZINC000120741940 1413890141 /nfs/dbraw/zinc/89/01/41/1413890141.db2.gz QNUUIZXIKIOCKQ-UHFFFAOYSA-N 1 0 391.431 3.147 20 5 GGBDRO C[C@@H]1C[N@@H+](CCC2CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000177495073 1428768616 /nfs/dbraw/zinc/76/86/16/1428768616.db2.gz RUVNKFUHUMDIIC-IYBDPMFKSA-N 1 0 379.476 3.445 20 5 GGBDRO CCNC(=O)C(C)(C)C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000120959835 1413960494 /nfs/dbraw/zinc/96/04/94/1413960494.db2.gz YSTSSVZENXPYIA-UHFFFAOYSA-N 1 0 375.425 3.115 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000120996256 1413971401 /nfs/dbraw/zinc/97/14/01/1413971401.db2.gz YFSBWVOFGJDQTC-GOSISDBHSA-N 1 0 396.491 3.154 20 5 GGBDRO CC(C)[C@@H](CO)[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccccc1 ZINC000121101592 1414008404 /nfs/dbraw/zinc/00/84/04/1414008404.db2.gz UAIKPTJGPZMXEV-OAQYLSRUSA-N 1 0 397.475 3.003 20 5 GGBDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000121119870 1414014178 /nfs/dbraw/zinc/01/41/78/1414014178.db2.gz SCELCBHKJOBAGF-HOCLYGCPSA-N 1 0 387.484 3.227 20 5 GGBDRO COc1ccc(NC(=O)CC[NH+]2CCC(OC3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000121126900 1414017453 /nfs/dbraw/zinc/01/74/53/1414017453.db2.gz HJDREVYHEYPNLF-UHFFFAOYSA-N 1 0 391.468 3.356 20 5 GGBDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000121141593 1414022173 /nfs/dbraw/zinc/02/21/73/1414022173.db2.gz WEKLAIOVGFCWDT-HOCLYGCPSA-N 1 0 387.484 3.227 20 5 GGBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000121163673 1414029509 /nfs/dbraw/zinc/02/95/09/1414029509.db2.gz VEPFPKCYIXNQIF-KBPBESRZSA-N 1 0 377.466 3.257 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC2CC[NH+](C3CCCCC3)CC2)c1C ZINC000121202183 1414042601 /nfs/dbraw/zinc/04/26/01/1414042601.db2.gz UZBOSHOOPJFURE-UHFFFAOYSA-N 1 0 395.525 3.287 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)CC23CCCCC3)cc1SC ZINC000177515103 1428777878 /nfs/dbraw/zinc/77/78/78/1428777878.db2.gz OHICXQHIJOMCHV-UHFFFAOYSA-N 1 0 393.509 3.416 20 5 GGBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000121264197 1414063874 /nfs/dbraw/zinc/06/38/74/1414063874.db2.gz SRMCQVQNBOSJQB-AWEZNQCLSA-N 1 0 377.466 3.259 20 5 GGBDRO CCCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)CC1 ZINC000121516536 1414158840 /nfs/dbraw/zinc/15/88/40/1414158840.db2.gz HJAKGYJCHDYSEB-UHFFFAOYSA-N 1 0 395.525 3.328 20 5 GGBDRO COc1cccc([C@H](CNc2cc(OC)c(OC)cc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000121528268 1414163302 /nfs/dbraw/zinc/16/33/02/1414163302.db2.gz ACAFCSVRWKLKNL-KRWDZBQOSA-N 1 0 375.425 3.335 20 5 GGBDRO NC(=O)c1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)c([N+](=O)[O-])c1 ZINC000121917617 1414306385 /nfs/dbraw/zinc/30/63/85/1414306385.db2.gz MTOJBWZSUUYTPP-AEFFLSMTSA-N 1 0 387.436 3.155 20 5 GGBDRO NC(=O)c1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)c([N+](=O)[O-])c1 ZINC000121917449 1414306787 /nfs/dbraw/zinc/30/67/87/1414306787.db2.gz MTOJBWZSUUYTPP-SJLPKXTDSA-N 1 0 387.436 3.155 20 5 GGBDRO NC(=O)c1ccc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)c([N+](=O)[O-])c1 ZINC000121917317 1414306942 /nfs/dbraw/zinc/30/69/42/1414306942.db2.gz MTOJBWZSUUYTPP-WMZOPIPTSA-N 1 0 387.436 3.155 20 5 GGBDRO CC[NH+](CC)Cc1cccc(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])c1 ZINC000121934270 1414312681 /nfs/dbraw/zinc/31/26/81/1414312681.db2.gz JVTIYUXSLGPQFD-UHFFFAOYSA-N 1 0 391.493 3.452 20 5 GGBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000121964193 1414325379 /nfs/dbraw/zinc/32/53/79/1414325379.db2.gz LZLZARCDFMGMOB-RISCZKNCSA-N 1 0 388.390 3.144 20 5 GGBDRO CC[NH+](CC)Cc1ccc(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000122011255 1414339578 /nfs/dbraw/zinc/33/95/78/1414339578.db2.gz YILBXJJQTPNTNF-UHFFFAOYSA-N 1 0 389.427 3.271 20 5 GGBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H](c3nncn3C(C)C)C2)c([N+](=O)[O-])c1 ZINC000122337460 1414427768 /nfs/dbraw/zinc/42/77/68/1414427768.db2.gz MHGJMUXGYFHLBP-OAHLLOKOSA-N 1 0 389.456 3.034 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000122362618 1414435327 /nfs/dbraw/zinc/43/53/27/1414435327.db2.gz NGVGTCLMWPWHDK-HNNXBMFYSA-N 1 0 395.525 3.184 20 5 GGBDRO Cc1ccc(NC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000122409003 1414449688 /nfs/dbraw/zinc/44/96/88/1414449688.db2.gz PUBPFTGFXJRYDO-UHFFFAOYSA-N 1 0 397.479 3.237 20 5 GGBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000122498506 1414481890 /nfs/dbraw/zinc/48/18/90/1414481890.db2.gz PUXXEHVASVGTIV-HZPDHXFCSA-N 1 0 380.920 3.239 20 5 GGBDRO CNC(=O)C1CC[NH+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000122526502 1414490589 /nfs/dbraw/zinc/49/05/89/1414490589.db2.gz LRORLDZIVVBGMS-UHFFFAOYSA-N 1 0 382.464 3.321 20 5 GGBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000122545042 1414496414 /nfs/dbraw/zinc/49/64/14/1414496414.db2.gz JNIDRJRGSJBNNA-GJZGRUSLSA-N 1 0 382.464 3.063 20 5 GGBDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000122578146 1414506786 /nfs/dbraw/zinc/50/67/86/1414506786.db2.gz QGSOBKGLUXRFAZ-UHFFFAOYSA-N 1 0 398.463 3.143 20 5 GGBDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccco1 ZINC000122587098 1414508732 /nfs/dbraw/zinc/50/87/32/1414508732.db2.gz CAZNQKHWBFAEKS-SFHVURJKSA-N 1 0 386.452 3.339 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000122865615 1414583813 /nfs/dbraw/zinc/58/38/13/1414583813.db2.gz OZHNHEUNFLOEHB-INIZCTEOSA-N 1 0 376.388 3.167 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000123089354 1414638542 /nfs/dbraw/zinc/63/85/42/1414638542.db2.gz HHDDBHKCMLYTBG-MRXNPFEDSA-N 1 0 388.424 3.463 20 5 GGBDRO COc1ccc(-c2ccc(C[NH2+]CC3(OC)CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000123158077 1414656420 /nfs/dbraw/zinc/65/64/20/1414656420.db2.gz RGWWTCBZCAYPPX-UHFFFAOYSA-N 1 0 376.409 3.149 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000123185302 1414663066 /nfs/dbraw/zinc/66/30/66/1414663066.db2.gz ISTMSCNPTKLDFM-KBPBESRZSA-N 1 0 376.457 3.378 20 5 GGBDRO CC[NH2+]Cc1cccc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1 ZINC000123222140 1414671978 /nfs/dbraw/zinc/67/19/78/1414671978.db2.gz CPWXMBCLGOTJJT-UHFFFAOYSA-N 1 0 398.419 3.031 20 5 GGBDRO C[NH+](C)CCCC1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000123646081 1414802892 /nfs/dbraw/zinc/80/28/92/1414802892.db2.gz KSGLYSZCLKFUMP-UHFFFAOYSA-N 1 0 382.892 3.241 20 5 GGBDRO Cc1c(NC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000123676734 1414807966 /nfs/dbraw/zinc/80/79/66/1414807966.db2.gz GSEZQOQRUBDRLE-UHFFFAOYSA-N 1 0 397.479 3.237 20 5 GGBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000123708797 1414813030 /nfs/dbraw/zinc/81/30/30/1414813030.db2.gz VXDBCCHGASECCK-LSDHHAIUSA-N 1 0 396.451 3.394 20 5 GGBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000123744028 1414818768 /nfs/dbraw/zinc/81/87/68/1414818768.db2.gz UIXPFEVKHZPIPK-LJQANCHMSA-N 1 0 382.464 3.425 20 5 GGBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000123746515 1414819376 /nfs/dbraw/zinc/81/93/76/1414819376.db2.gz GSOYMMKYRJNXTG-UHFFFAOYSA-N 1 0 399.488 3.011 20 5 GGBDRO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000123780269 1414823678 /nfs/dbraw/zinc/82/36/78/1414823678.db2.gz YNNSPUCOJOZXQQ-UHFFFAOYSA-N 1 0 391.493 3.056 20 5 GGBDRO Cn1cc(C[NH2+]C[C@H](O)c2ccccc2Cl)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000123800031 1414826260 /nfs/dbraw/zinc/82/62/60/1414826260.db2.gz YTDIFXGEAUTNOU-SFHVURJKSA-N 1 0 386.839 3.472 20 5 GGBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)n1 ZINC000124129780 1414891277 /nfs/dbraw/zinc/89/12/77/1414891277.db2.gz PRHSIDSYUSNJIV-GOSISDBHSA-N 1 0 394.410 3.311 20 5 GGBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000124178569 1414900925 /nfs/dbraw/zinc/90/09/25/1414900925.db2.gz JDOMDXAGRSIYKR-KRWDZBQOSA-N 1 0 383.448 3.497 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000124220270 1414912100 /nfs/dbraw/zinc/91/21/00/1414912100.db2.gz KRICFXZYTBYHFI-QGZVFWFLSA-N 1 0 383.448 3.497 20 5 GGBDRO COc1cc(C[NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1O ZINC000124227630 1414914063 /nfs/dbraw/zinc/91/40/63/1414914063.db2.gz CJMLSPGTONMHIH-CQSZACIVSA-N 1 0 387.219 3.439 20 5 GGBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000124353186 1414947328 /nfs/dbraw/zinc/94/73/28/1414947328.db2.gz ZIOILRQRPGEHJL-QGZVFWFLSA-N 1 0 388.512 3.293 20 5 GGBDRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000124543432 1414990575 /nfs/dbraw/zinc/99/05/75/1414990575.db2.gz OSFTZZNKAZNINI-UHFFFAOYSA-N 1 0 380.404 3.336 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000124541962 1414990596 /nfs/dbraw/zinc/99/05/96/1414990596.db2.gz SIBDAJZLEIOHCX-HXUWFJFHSA-N 1 0 382.464 3.221 20 5 GGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000177795342 1428860138 /nfs/dbraw/zinc/86/01/38/1428860138.db2.gz LIDAJMRYCSJKAG-MSOLQXFVSA-N 1 0 389.499 3.240 20 5 GGBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000124786539 1415043929 /nfs/dbraw/zinc/04/39/29/1415043929.db2.gz PRUPNLMUFLJKIT-UXHICEINSA-N 1 0 388.512 3.004 20 5 GGBDRO COc1cccc([C@@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[NH+](C)C)c1 ZINC000124814886 1415050846 /nfs/dbraw/zinc/05/08/46/1415050846.db2.gz ZLGYQSIPDHEAAI-HXUWFJFHSA-N 1 0 396.447 3.046 20 5 GGBDRO COCC[N@H+](C)CCCC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000125209347 1415130756 /nfs/dbraw/zinc/13/07/56/1415130756.db2.gz HQZYUQSCLKFOMQ-UHFFFAOYSA-N 1 0 378.473 3.197 20 5 GGBDRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000125384925 1415182590 /nfs/dbraw/zinc/18/25/90/1415182590.db2.gz CWESWNQERNGVBC-CYBMUJFWSA-N 1 0 388.855 3.294 20 5 GGBDRO Cc1ccc([C@@H](C)NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000177856272 1428874589 /nfs/dbraw/zinc/87/45/89/1428874589.db2.gz FECUGJPUSYMNEB-GOSISDBHSA-N 1 0 396.491 3.293 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(OC3CCCCC3)CC2)c1 ZINC000125488444 1415212799 /nfs/dbraw/zinc/21/27/99/1415212799.db2.gz GAAOQUGDGUOBNV-KRWDZBQOSA-N 1 0 378.469 3.148 20 5 GGBDRO CCOC(=O)N[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CC(C)C ZINC000125590222 1415233757 /nfs/dbraw/zinc/23/37/57/1415233757.db2.gz PMFSHWVENUSVHO-QGZVFWFLSA-N 1 0 392.500 3.314 20 5 GGBDRO CS(=O)(=O)Cc1ccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000125680256 1415253175 /nfs/dbraw/zinc/25/31/75/1415253175.db2.gz JRNSWIZKEZKLLM-IBGZPJMESA-N 1 0 388.489 3.250 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000125770345 1415276083 /nfs/dbraw/zinc/27/60/83/1415276083.db2.gz ZSPWCYXSWWDDIM-HNNXBMFYSA-N 1 0 395.525 3.184 20 5 GGBDRO O=[N+]([O-])c1ccn(CCN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)n1 ZINC000125814841 1415288305 /nfs/dbraw/zinc/28/83/05/1415288305.db2.gz VDMMUTUYLGTYNL-UHFFFAOYSA-N 1 0 389.459 3.179 20 5 GGBDRO COc1ccc(CCC[N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000125869435 1415301270 /nfs/dbraw/zinc/30/12/70/1415301270.db2.gz FQFYURYVSRRMJH-UHFFFAOYSA-N 1 0 383.448 3.057 20 5 GGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)c1 ZINC000126070706 1415350693 /nfs/dbraw/zinc/35/06/93/1415350693.db2.gz VCRNVIBHHGLJNS-LJQANCHMSA-N 1 0 375.856 3.411 20 5 GGBDRO Cc1c([C@H](C)[NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)cccc1[N+](=O)[O-] ZINC000126163865 1415374602 /nfs/dbraw/zinc/37/46/02/1415374602.db2.gz UHJHEMLWNVEIQL-INIZCTEOSA-N 1 0 397.475 3.454 20 5 GGBDRO Cc1ccccc1[C@@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000126198468 1415382379 /nfs/dbraw/zinc/38/23/79/1415382379.db2.gz OHEAILDFIOHUBV-FQEVSTJZSA-N 1 0 397.431 3.275 20 5 GGBDRO Cc1c(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000126215473 1415386152 /nfs/dbraw/zinc/38/61/52/1415386152.db2.gz OHLNMZRFGRDQLD-KRWDZBQOSA-N 1 0 378.429 3.052 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000126382936 1415431908 /nfs/dbraw/zinc/43/19/08/1415431908.db2.gz YTICXATZALUELW-MSOLQXFVSA-N 1 0 390.484 3.101 20 5 GGBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126480469 1415465983 /nfs/dbraw/zinc/46/59/83/1415465983.db2.gz JCEXCKPYOWVYHJ-OXJNMPFZSA-N 1 0 398.507 3.284 20 5 GGBDRO CC[NH+]1CCN(c2ccccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000126558662 1415490595 /nfs/dbraw/zinc/49/05/95/1415490595.db2.gz SRROCSPDTDYKPW-UHFFFAOYSA-N 1 0 386.427 3.057 20 5 GGBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000126640666 1415514757 /nfs/dbraw/zinc/51/47/57/1415514757.db2.gz WUWHKJOKMWLBQQ-UHFFFAOYSA-N 1 0 392.459 3.353 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126674149 1415523240 /nfs/dbraw/zinc/52/32/40/1415523240.db2.gz IWDIHHIUMSSCFX-RDTXWAMCSA-N 1 0 377.872 3.266 20 5 GGBDRO CN(C(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126738700 1415543397 /nfs/dbraw/zinc/54/33/97/1415543397.db2.gz XHAPSCPMPOLZRA-UHFFFAOYSA-N 1 0 387.411 3.485 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000126887280 1415595307 /nfs/dbraw/zinc/59/53/07/1415595307.db2.gz OUMWWYYKRUHZCV-UHFFFAOYSA-N 1 0 383.448 3.360 20 5 GGBDRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000126963708 1415619602 /nfs/dbraw/zinc/61/96/02/1415619602.db2.gz PMESHVGCPLJPGR-UHFFFAOYSA-N 1 0 381.860 3.013 20 5 GGBDRO CC(C)(C)OC(=O)NCCCOC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000178067140 1428967049 /nfs/dbraw/zinc/96/70/49/1428967049.db2.gz VJPMMEAMTSLIPA-UHFFFAOYSA-N 1 0 393.484 3.491 20 5 GGBDRO C[C@@H]1C[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[N@@H+]1Cc1ccccc1 ZINC000127056317 1415649483 /nfs/dbraw/zinc/64/94/83/1415649483.db2.gz DEEODHARPYWTLG-QAPCUYQASA-N 1 0 392.459 3.398 20 5 GGBDRO COc1ccc(C[NH+]2CCC(CO)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000127096763 1415660132 /nfs/dbraw/zinc/66/01/32/1415660132.db2.gz WSLZEURSOYXRGY-UHFFFAOYSA-N 1 0 386.448 3.387 20 5 GGBDRO Cc1c(C(=O)N(C)CC[N@H+](C)C2CCCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000127108077 1415661954 /nfs/dbraw/zinc/66/19/54/1415661954.db2.gz KPESTLLLSBQSLL-UHFFFAOYSA-N 1 0 392.456 3.456 20 5 GGBDRO C[C@@H]1CN(Cc2cccc(CNC(=O)CCc3cccc([N+](=O)[O-])c3)c2)CCO1 ZINC000127285508 1415719807 /nfs/dbraw/zinc/71/98/07/1415719807.db2.gz BRGNOIWOVSJXJN-QGZVFWFLSA-N 1 0 397.475 3.065 20 5 GGBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127414497 1415770084 /nfs/dbraw/zinc/77/00/84/1415770084.db2.gz DMOFICBTLOLXFL-CQSZACIVSA-N 1 0 386.477 3.276 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000127571764 1415811970 /nfs/dbraw/zinc/81/19/70/1415811970.db2.gz SWVZJTDDXQBESM-MAUKXSAKSA-N 1 0 398.463 3.066 20 5 GGBDRO O=C1NCCN1C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000127577622 1415813083 /nfs/dbraw/zinc/81/30/83/1415813083.db2.gz ZJCIPUZSSLSJLF-UHFFFAOYSA-N 1 0 386.477 3.313 20 5 GGBDRO CCOC(=O)c1cc(NC2CC[NH+](CCOC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000127597778 1415816427 /nfs/dbraw/zinc/81/64/27/1415816427.db2.gz VLXRHYBUTFAPCK-UHFFFAOYSA-N 1 0 379.457 3.073 20 5 GGBDRO O=C(CC[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000127777028 1415848400 /nfs/dbraw/zinc/84/84/00/1415848400.db2.gz YUAAOBVNOVWZGG-UHFFFAOYSA-N 1 0 397.431 3.224 20 5 GGBDRO COc1ccc(CSCC(=O)Nc2ccc([C@@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000178187296 1429012709 /nfs/dbraw/zinc/01/27/09/1429012709.db2.gz FORXSTBSURMAJH-GFCCVEGCSA-N 1 0 375.450 3.495 20 5 GGBDRO O=C(C[NH2+][C@@H]1CCCC[C@H]1n1cccn1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000128002788 1415890768 /nfs/dbraw/zinc/89/07/68/1415890768.db2.gz VZSGMJCATFEPLM-UKRRQHHQSA-N 1 0 377.832 3.157 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCC(O)(C(F)(F)F)CC3)o2)c1 ZINC000128062820 1415903879 /nfs/dbraw/zinc/90/38/79/1415903879.db2.gz PJWOSTWNSLSYEW-UHFFFAOYSA-N 1 0 385.342 3.182 20 5 GGBDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000178237753 1429027538 /nfs/dbraw/zinc/02/75/38/1429027538.db2.gz OSJQWVCTQAVZNC-OKILXGFUSA-N 1 0 381.498 3.008 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000178239292 1429028016 /nfs/dbraw/zinc/02/80/16/1429028016.db2.gz RDEFUXUSSYCBCX-IAGOWNOFSA-N 1 0 389.496 3.255 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000178239304 1429028238 /nfs/dbraw/zinc/02/82/38/1429028238.db2.gz RDEFUXUSSYCBCX-IRXDYDNUSA-N 1 0 389.496 3.255 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000178241833 1429028557 /nfs/dbraw/zinc/02/85/57/1429028557.db2.gz YZIMGKBWVPYXDC-IAGOWNOFSA-N 1 0 389.496 3.255 20 5 GGBDRO Cc1ccccc1N1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000128193876 1415936162 /nfs/dbraw/zinc/93/61/62/1415936162.db2.gz OPJZEVANZWZZRM-UHFFFAOYSA-N 1 0 386.427 3.193 20 5 GGBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000128209174 1415939729 /nfs/dbraw/zinc/93/97/29/1415939729.db2.gz UYMNAKRMCCFKPC-GOSISDBHSA-N 1 0 389.499 3.099 20 5 GGBDRO Cc1sc(C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000178254596 1429034645 /nfs/dbraw/zinc/03/46/45/1429034645.db2.gz ABTODIHISFRIHK-ZIAGYGMSSA-N 1 0 395.525 3.316 20 5 GGBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000128476447 1415996136 /nfs/dbraw/zinc/99/61/36/1415996136.db2.gz FQNASMGWDCTRLT-UHFFFAOYSA-N 1 0 384.436 3.056 20 5 GGBDRO C[C@H]1C[NH+](CCC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)C[C@H](C)O1 ZINC000178261361 1429036556 /nfs/dbraw/zinc/03/65/56/1429036556.db2.gz IJKZCHCLHHOEGL-GJZGRUSLSA-N 1 0 393.459 3.085 20 5 GGBDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)C[C@H](C)O1 ZINC000178261341 1429036872 /nfs/dbraw/zinc/03/68/72/1429036872.db2.gz IJKZCHCLHHOEGL-GASCZTMLSA-N 1 0 393.459 3.085 20 5 GGBDRO CC[C@@H]([NH2+]CCC(=O)N1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000128595498 1416021586 /nfs/dbraw/zinc/02/15/86/1416021586.db2.gz LSGLUSZSNVGUMZ-OAQYLSRUSA-N 1 0 396.491 3.374 20 5 GGBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)c1 ZINC000128819770 1416076445 /nfs/dbraw/zinc/07/64/45/1416076445.db2.gz GIEGYQFOFLSOAQ-UHFFFAOYSA-N 1 0 398.463 3.054 20 5 GGBDRO CCO[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C12CCC2 ZINC000128928351 1416104461 /nfs/dbraw/zinc/10/44/61/1416104461.db2.gz XTKVWFKVWFCAFK-IAGOWNOFSA-N 1 0 379.432 3.342 20 5 GGBDRO O=C(CCN1CC[NH+](C2CCCCC2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128943661 1416110106 /nfs/dbraw/zinc/11/01/06/1416110106.db2.gz HTIWSUIKLUZZQR-UHFFFAOYSA-N 1 0 378.448 3.013 20 5 GGBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[NH+](CC2CCCCC2)CC1 ZINC000129038598 1416131086 /nfs/dbraw/zinc/13/10/86/1416131086.db2.gz KEBCDYVYVICGLH-UHFFFAOYSA-N 1 0 382.464 3.481 20 5 GGBDRO CC[C@@H](O)C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccccc1 ZINC000129285220 1416185200 /nfs/dbraw/zinc/18/52/00/1416185200.db2.gz PIXGFKDTBYNIDA-QGZVFWFLSA-N 1 0 389.427 3.336 20 5 GGBDRO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H]1CN(C)CCO1 ZINC000129339561 1416193671 /nfs/dbraw/zinc/19/36/71/1416193671.db2.gz IEGIODPSMZDZFV-SGTLLEGYSA-N 1 0 379.844 3.317 20 5 GGBDRO Cc1cc(C(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)cc([N+](=O)[O-])c1 ZINC000129389798 1416201369 /nfs/dbraw/zinc/20/13/69/1416201369.db2.gz YHOVNHANRUFDEG-UHFFFAOYSA-N 1 0 382.464 3.077 20 5 GGBDRO C[C@@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@@H]1CN(C)CCO1 ZINC000129428801 1416207744 /nfs/dbraw/zinc/20/77/44/1416207744.db2.gz UUPDGFLEINUHNA-VLIAUNLRSA-N 1 0 389.427 3.335 20 5 GGBDRO C[C@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@H]1CN(C)CCO1 ZINC000129429032 1416207991 /nfs/dbraw/zinc/20/79/91/1416207991.db2.gz UUPDGFLEINUHNA-VBKZILBWSA-N 1 0 389.427 3.335 20 5 GGBDRO O=c1cc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c2c(ccc3ccccc32)o1 ZINC000129509340 1416220757 /nfs/dbraw/zinc/22/07/57/1416220757.db2.gz YFXCSQKTDLBDKG-QGZVFWFLSA-N 1 0 378.472 3.100 20 5 GGBDRO CC(C)N(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(=O)OC(C)(C)C ZINC000129605598 1416235806 /nfs/dbraw/zinc/23/58/06/1416235806.db2.gz UAXOYPOPLMTQLG-UHFFFAOYSA-N 1 0 383.420 3.115 20 5 GGBDRO C[C@@H]1C[NH+](CCCCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1 ZINC000129642574 1416242005 /nfs/dbraw/zinc/24/20/05/1416242005.db2.gz PSQWJTXFDPPJOI-CHWSQXEVSA-N 1 0 384.864 3.259 20 5 GGBDRO COc1cc(C[NH2+][C@@H]2C=C[C@H](CO)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000129663506 1416244948 /nfs/dbraw/zinc/24/49/48/1416244948.db2.gz DPYCSQXOFXNUGQ-ZWKOTPCHSA-N 1 0 384.432 3.209 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000129908486 1416283094 /nfs/dbraw/zinc/28/30/94/1416283094.db2.gz YLMUUNHZCNXPBS-HNNXBMFYSA-N 1 0 398.463 3.087 20 5 GGBDRO CN(c1ccccc1)c1ccc(C[NH2+]CC2(CO)CCOCC2)cc1[N+](=O)[O-] ZINC000130094571 1416317104 /nfs/dbraw/zinc/31/71/04/1416317104.db2.gz CFNFFVXSGCTEAG-UHFFFAOYSA-N 1 0 385.464 3.241 20 5 GGBDRO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000130099804 1416318005 /nfs/dbraw/zinc/31/80/05/1416318005.db2.gz GXPQSWCFLAQQNU-HNNXBMFYSA-N 1 0 376.434 3.335 20 5 GGBDRO Cc1csc(C2([NH2+]C[C@@H](O)COc3ccccc3[N+](=O)[O-])CCCC2)n1 ZINC000130111379 1416320132 /nfs/dbraw/zinc/32/01/32/1416320132.db2.gz GKJOJXBLRYXSCU-CQSZACIVSA-N 1 0 377.466 3.159 20 5 GGBDRO C[NH+](C)CCOc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000130619110 1416411072 /nfs/dbraw/zinc/41/10/72/1416411072.db2.gz LVEYULDFTPHKDC-UHFFFAOYSA-N 1 0 394.431 3.013 20 5 GGBDRO CCCc1n[nH]c(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000130743244 1416440154 /nfs/dbraw/zinc/44/01/54/1416440154.db2.gz MLIXRJARWCRGTE-WBVHZDCISA-N 1 0 399.495 3.396 20 5 GGBDRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4ccc(C(N)=O)cc4[N+](=O)[O-])C3)nc2c1 ZINC000130781489 1416449222 /nfs/dbraw/zinc/44/92/22/1416449222.db2.gz VIMRAPFQMSWSKE-MRXNPFEDSA-N 1 0 393.447 3.258 20 5 GGBDRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](Cc4ccc(C(N)=O)cc4[N+](=O)[O-])C3)nc2c1 ZINC000130781686 1416449432 /nfs/dbraw/zinc/44/94/32/1416449432.db2.gz VIMRAPFQMSWSKE-INIZCTEOSA-N 1 0 393.447 3.258 20 5 GGBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000130842233 1416464852 /nfs/dbraw/zinc/46/48/52/1416464852.db2.gz UFOZGHPZQMZSQO-QAPCUYQASA-N 1 0 382.464 3.302 20 5 GGBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000131022118 1416497556 /nfs/dbraw/zinc/49/75/56/1416497556.db2.gz UKLVOCPIYLSLEO-IFXJQAMLSA-N 1 0 399.447 3.034 20 5 GGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000131026146 1416497724 /nfs/dbraw/zinc/49/77/24/1416497724.db2.gz CKAZQUVVWWPFDG-UHFFFAOYSA-N 1 0 381.354 3.440 20 5 GGBDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000131124759 1416512965 /nfs/dbraw/zinc/51/29/65/1416512965.db2.gz UMVDMVQNFABWKD-UHFFFAOYSA-N 1 0 377.485 3.114 20 5 GGBDRO COc1cc(C[NH2+]CCc2cccnc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000131334814 1416541551 /nfs/dbraw/zinc/54/15/51/1416541551.db2.gz DFQFNUDIMMQODG-UHFFFAOYSA-N 1 0 385.342 3.272 20 5 GGBDRO C[NH+](C)C[C@](C)(O)CNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000131481334 1416564437 /nfs/dbraw/zinc/56/44/37/1416564437.db2.gz KCTFOUSMKHGTEF-LJQANCHMSA-N 1 0 393.871 3.443 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000131984108 1416666755 /nfs/dbraw/zinc/66/67/55/1416666755.db2.gz KBJNFOCAHPAAFD-MRXNPFEDSA-N 1 0 383.448 3.340 20 5 GGBDRO CCC[C@H]([NH2+]Cc1cccc(S(=O)(=O)NC)c1)c1cccc([N+](=O)[O-])c1 ZINC000132014525 1416674397 /nfs/dbraw/zinc/67/43/97/1416674397.db2.gz VBOFRNMRTNGQMD-SFHVURJKSA-N 1 0 377.466 3.134 20 5 GGBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000132134781 1416704809 /nfs/dbraw/zinc/70/48/09/1416704809.db2.gz XSVOSIYKTNAZSD-APWZRJJASA-N 1 0 399.495 3.001 20 5 GGBDRO COCCC[N@H+](C)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000178613376 1429122449 /nfs/dbraw/zinc/12/24/49/1429122449.db2.gz DMUXWPZBCKOJPM-GFCCVEGCSA-N 1 0 378.454 3.014 20 5 GGBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C ZINC000132279598 1416728246 /nfs/dbraw/zinc/72/82/46/1416728246.db2.gz LLGBBMUZLKZDSG-MRXNPFEDSA-N 1 0 395.525 3.184 20 5 GGBDRO COc1ccc([C@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)N2CCOCC2)cc1 ZINC000178639638 1429127040 /nfs/dbraw/zinc/12/70/40/1429127040.db2.gz KSRLMEWLVWEUGF-IERDGZPVSA-N 1 0 385.464 3.328 20 5 GGBDRO COc1ccc([C@@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)N2CCOCC2)cc1 ZINC000178639671 1429127282 /nfs/dbraw/zinc/12/72/82/1429127282.db2.gz KSRLMEWLVWEUGF-IIBYNOLFSA-N 1 0 385.464 3.328 20 5 GGBDRO C[C@H]1C[C@H](N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000132486617 1416771201 /nfs/dbraw/zinc/77/12/01/1416771201.db2.gz YRWHQBQIGICZDU-FXAWDEMLSA-N 1 0 397.475 3.485 20 5 GGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000132500081 1416773579 /nfs/dbraw/zinc/77/35/79/1416773579.db2.gz NSAORSGDQWAJQH-WBVHZDCISA-N 1 0 391.493 3.186 20 5 GGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000132499666 1416773774 /nfs/dbraw/zinc/77/37/74/1416773774.db2.gz NSAORSGDQWAJQH-RDJZCZTQSA-N 1 0 391.493 3.186 20 5 GGBDRO COCCC[N@H+](C)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000178613364 1429122232 /nfs/dbraw/zinc/12/22/32/1429122232.db2.gz DMUXWPZBCKOJPM-LBPRGKRZSA-N 1 0 378.454 3.014 20 5 GGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000132541471 1416781887 /nfs/dbraw/zinc/78/18/87/1416781887.db2.gz HMVBZCJASLXAJO-GOSISDBHSA-N 1 0 399.472 3.054 20 5 GGBDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178646223 1429128279 /nfs/dbraw/zinc/12/82/79/1429128279.db2.gz MGFWCEZWUUXAFH-HNNXBMFYSA-N 1 0 389.477 3.230 20 5 GGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000132553420 1416783947 /nfs/dbraw/zinc/78/39/47/1416783947.db2.gz DCIJXBNTKIJYEA-LJQANCHMSA-N 1 0 399.472 3.054 20 5 GGBDRO COc1ccc(OC)c(C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C(C)(C)C)c1 ZINC000132594142 1416790212 /nfs/dbraw/zinc/79/02/12/1416790212.db2.gz UGHBCVLLHIPSMJ-UHFFFAOYSA-N 1 0 389.452 3.074 20 5 GGBDRO C[C@H]([NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178650508 1429129097 /nfs/dbraw/zinc/12/90/97/1429129097.db2.gz VBVLXKOBYFKPDB-YWZLYKJASA-N 1 0 383.448 3.354 20 5 GGBDRO C[C@H]([NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178650535 1429129182 /nfs/dbraw/zinc/12/91/82/1429129182.db2.gz VBVLXKOBYFKPDB-MGPUTAFESA-N 1 0 383.448 3.354 20 5 GGBDRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178650134 1429129317 /nfs/dbraw/zinc/12/93/17/1429129317.db2.gz CDAMQDROGYPCNJ-OAHLLOKOSA-N 1 0 391.493 3.475 20 5 GGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000132900658 1416828772 /nfs/dbraw/zinc/82/87/72/1416828772.db2.gz ZAPQBIIWOOOFCM-UHFFFAOYSA-N 1 0 396.422 3.036 20 5 GGBDRO O=C(c1ccoc1)N1CCC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000133225104 1416866740 /nfs/dbraw/zinc/86/67/40/1416866740.db2.gz VNRMMLXQCZGFIL-IBGZPJMESA-N 1 0 383.448 3.403 20 5 GGBDRO COc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)[NH+]2CCCC2)cc1 ZINC000133402891 1416886484 /nfs/dbraw/zinc/88/64/84/1416886484.db2.gz IPYSGPKJQYLDJJ-IBGZPJMESA-N 1 0 399.447 3.179 20 5 GGBDRO CC[C@@H]([NH2+][C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000178671136 1429134842 /nfs/dbraw/zinc/13/48/42/1429134842.db2.gz XUYXUCACUYRHPJ-UXHICEINSA-N 1 0 399.447 3.458 20 5 GGBDRO Cc1c(NC(=O)C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)cccc1[N+](=O)[O-] ZINC000133627499 1416925093 /nfs/dbraw/zinc/92/50/93/1416925093.db2.gz QYTYAFRLLDJPIE-UHFFFAOYSA-N 1 0 396.447 3.117 20 5 GGBDRO O=C(C[N@H+](Cc1ccccc1)CC1(O)CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000134318669 1417054927 /nfs/dbraw/zinc/05/49/27/1417054927.db2.gz JWYNQZIPKWJVAX-UHFFFAOYSA-N 1 0 383.448 3.341 20 5 GGBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000134373689 1417062218 /nfs/dbraw/zinc/06/22/18/1417062218.db2.gz DGVNGACQDIKXQY-IAGOWNOFSA-N 1 0 396.875 3.138 20 5 GGBDRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000134669177 1417110622 /nfs/dbraw/zinc/11/06/22/1417110622.db2.gz YNYMRJXQJABAJI-CABCVRRESA-N 1 0 379.457 3.351 20 5 GGBDRO C[C@@H]1C[NH+](CC2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)C[C@@H](C)O1 ZINC000134766994 1417122662 /nfs/dbraw/zinc/12/26/62/1417122662.db2.gz KSECKVRAHQHCFH-ZIAGYGMSSA-N 1 0 395.887 3.210 20 5 GGBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000134769595 1417122872 /nfs/dbraw/zinc/12/28/72/1417122872.db2.gz IMSHXNUTJSZFNK-GOSISDBHSA-N 1 0 397.479 3.011 20 5 GGBDRO C[C@H]1C[NH+](CC2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000134766978 1417122992 /nfs/dbraw/zinc/12/29/92/1417122992.db2.gz KSECKVRAHQHCFH-KBPBESRZSA-N 1 0 395.887 3.210 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)o2)cc1 ZINC000134861013 1417134961 /nfs/dbraw/zinc/13/49/61/1417134961.db2.gz GIMHMSXPVDQQRR-QAPCUYQASA-N 1 0 383.452 3.094 20 5 GGBDRO Cc1c(NC(=O)CCN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000134877206 1417138309 /nfs/dbraw/zinc/13/83/09/1417138309.db2.gz AYLSQYCDAFCMCR-UZLBHIALSA-N 1 0 386.496 3.181 20 5 GGBDRO O=C(CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000134890447 1417140546 /nfs/dbraw/zinc/14/05/46/1417140546.db2.gz JGDXOQZCMAIYJL-FZKQIMNGSA-N 1 0 392.887 3.135 20 5 GGBDRO O=C(CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000134890476 1417140689 /nfs/dbraw/zinc/14/06/89/1417140689.db2.gz JGDXOQZCMAIYJL-ACJLOTCBSA-N 1 0 392.887 3.135 20 5 GGBDRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000134911141 1417143711 /nfs/dbraw/zinc/14/37/11/1417143711.db2.gz LZNLAFIKTVIPSF-UHFFFAOYSA-N 1 0 397.435 3.063 20 5 GGBDRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000134917344 1417144729 /nfs/dbraw/zinc/14/47/29/1417144729.db2.gz JICHBGJENQYDPT-UHFFFAOYSA-N 1 0 397.435 3.063 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134933990 1417147880 /nfs/dbraw/zinc/14/78/80/1417147880.db2.gz OTWWRNBFUXHJMY-OXQOHEQNSA-N 1 0 386.496 3.181 20 5 GGBDRO C[NH+](C)CCCOc1ccc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)cc1 ZINC000135220761 1417190743 /nfs/dbraw/zinc/19/07/43/1417190743.db2.gz LFTHLQXQGFKESW-UHFFFAOYSA-N 1 0 379.363 3.456 20 5 GGBDRO Cc1cccc([C@H](O)C[N@H+](CCn2ccc([N+](=O)[O-])n2)Cc2ccccc2)c1 ZINC000135493332 1417227922 /nfs/dbraw/zinc/22/79/22/1417227922.db2.gz MBCGORAQOQOWAP-HXUWFJFHSA-N 1 0 380.448 3.336 20 5 GGBDRO Cc1cccc([C@@H](O)C[N@H+](CCn2ccc([N+](=O)[O-])n2)Cc2ccccc2)c1 ZINC000135493353 1417228293 /nfs/dbraw/zinc/22/82/93/1417228293.db2.gz MBCGORAQOQOWAP-FQEVSTJZSA-N 1 0 380.448 3.336 20 5 GGBDRO Cc1cc(S(=O)(=O)N2CCC(CCC[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000178793025 1429171237 /nfs/dbraw/zinc/17/12/37/1429171237.db2.gz JLAYSTNPNDYHTA-UHFFFAOYSA-N 1 0 395.525 3.180 20 5 GGBDRO CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000136060582 1417288849 /nfs/dbraw/zinc/28/88/49/1417288849.db2.gz YOPOPLDYBJAKLP-AWEZNQCLSA-N 1 0 387.440 3.013 20 5 GGBDRO Cc1c(NC(=O)CC[N@@H+](C)Cc2ccc([S@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000178805239 1429175988 /nfs/dbraw/zinc/17/59/88/1429175988.db2.gz MTAJDWKKFHCBFI-MHZLTWQESA-N 1 0 389.477 3.101 20 5 GGBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC([NH+]2CC=CC2)CC1 ZINC000136772601 1417344991 /nfs/dbraw/zinc/34/49/91/1417344991.db2.gz IOXZNTMHRPXLOT-UHFFFAOYSA-N 1 0 382.367 3.064 20 5 GGBDRO CC(C)(C)c1ccc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000136888180 1417352642 /nfs/dbraw/zinc/35/26/42/1417352642.db2.gz TVWPNRFDRNHJKB-HNNXBMFYSA-N 1 0 389.496 3.123 20 5 GGBDRO COc1ccc(C[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1OC(F)F ZINC000136921684 1417355271 /nfs/dbraw/zinc/35/52/71/1417355271.db2.gz MZBWQKNVVVGVCX-HNNXBMFYSA-N 1 0 382.363 3.370 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000137173067 1417372612 /nfs/dbraw/zinc/37/26/12/1417372612.db2.gz GTYPLXZEOASDPM-HNNXBMFYSA-N 1 0 395.525 3.185 20 5 GGBDRO Cc1c(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000137489498 1417388642 /nfs/dbraw/zinc/38/86/42/1417388642.db2.gz DNGHZHKWZXMBSV-CZUORRHYSA-N 1 0 398.419 3.204 20 5 GGBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000137846720 1417397283 /nfs/dbraw/zinc/39/72/83/1417397283.db2.gz QXIYMNNYLDFJQH-DYVFJYSZSA-N 1 0 398.419 3.204 20 5 GGBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000138425348 1417414755 /nfs/dbraw/zinc/41/47/55/1417414755.db2.gz PDTYGOLXWWRLBT-ZDUSSCGKSA-N 1 0 381.860 3.102 20 5 GGBDRO COc1ccc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1[N+](=O)[O-] ZINC000138658009 1417433053 /nfs/dbraw/zinc/43/30/53/1417433053.db2.gz PEJYPIPGGCDFBV-UHFFFAOYSA-N 1 0 387.461 3.405 20 5 GGBDRO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000138979106 1417444590 /nfs/dbraw/zinc/44/45/90/1417444590.db2.gz GISRPNARMIAUKA-CRAIPNDOSA-N 1 0 393.484 3.141 20 5 GGBDRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000140041726 1417486106 /nfs/dbraw/zinc/48/61/06/1417486106.db2.gz RPWUCZZVGLLMJU-ZDUSSCGKSA-N 1 0 399.476 3.175 20 5 GGBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000140175213 1417490703 /nfs/dbraw/zinc/49/07/03/1417490703.db2.gz JAGGNZZYSRLWRA-OAHLLOKOSA-N 1 0 389.477 3.064 20 5 GGBDRO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000178838011 1429189821 /nfs/dbraw/zinc/18/98/21/1429189821.db2.gz VBNBNZXPMFYKPH-OAHLLOKOSA-N 1 0 387.436 3.456 20 5 GGBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000142077851 1417572103 /nfs/dbraw/zinc/57/21/03/1417572103.db2.gz OCLVGELFPGLMFB-GOSISDBHSA-N 1 0 386.496 3.141 20 5 GGBDRO CCC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000178860592 1429199318 /nfs/dbraw/zinc/19/93/18/1429199318.db2.gz AGVMDQSROITWCQ-MSOLQXFVSA-N 1 0 393.484 3.350 20 5 GGBDRO CCC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000178860604 1429199676 /nfs/dbraw/zinc/19/96/76/1429199676.db2.gz AGVMDQSROITWCQ-QZTJIDSGSA-N 1 0 393.484 3.350 20 5 GGBDRO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178861519 1429200348 /nfs/dbraw/zinc/20/03/48/1429200348.db2.gz HCTSIHRTOCEMIU-KBXCAEBGSA-N 1 0 393.484 3.253 20 5 GGBDRO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178861511 1429200747 /nfs/dbraw/zinc/20/07/47/1429200747.db2.gz HCTSIHRTOCEMIU-KDOFPFPSSA-N 1 0 393.484 3.253 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)c1 ZINC000146971122 1417735225 /nfs/dbraw/zinc/73/52/25/1417735225.db2.gz XLASBKBKMPVAMU-UHFFFAOYSA-N 1 0 383.448 3.260 20 5 GGBDRO COc1ccc([C@@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000147201696 1417741159 /nfs/dbraw/zinc/74/11/59/1417741159.db2.gz BQPSLVOXOTVMON-HXUWFJFHSA-N 1 0 383.448 3.479 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1SC ZINC000150737524 1417794979 /nfs/dbraw/zinc/79/49/79/1417794979.db2.gz WWNJLOFSBCVKNS-CQSZACIVSA-N 1 0 393.509 3.416 20 5 GGBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000178887188 1429210989 /nfs/dbraw/zinc/21/09/89/1429210989.db2.gz CPQZPKCUGAOHFN-MRXNPFEDSA-N 1 0 397.479 3.357 20 5 GGBDRO CNC(=O)c1ccc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000150875469 1417825891 /nfs/dbraw/zinc/82/58/91/1417825891.db2.gz CVHGQYFVASGURP-VQIMIIECSA-N 1 0 396.491 3.444 20 5 GGBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000150966485 1417845462 /nfs/dbraw/zinc/84/54/62/1417845462.db2.gz CZZMLVOSOZNVSH-IRXDYDNUSA-N 1 0 397.475 3.246 20 5 GGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)c1 ZINC000151075129 1417867518 /nfs/dbraw/zinc/86/75/18/1417867518.db2.gz ZQJZDCCCXYWQCQ-UHFFFAOYSA-N 1 0 377.466 3.422 20 5 GGBDRO CN(C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C)C1 ZINC000151096277 1417871610 /nfs/dbraw/zinc/87/16/10/1417871610.db2.gz ORXBKVAHLFQGHR-GOSISDBHSA-N 1 0 382.464 3.373 20 5 GGBDRO CN(C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C)C1 ZINC000151096219 1417871637 /nfs/dbraw/zinc/87/16/37/1417871637.db2.gz ORXBKVAHLFQGHR-SFHVURJKSA-N 1 0 382.464 3.373 20 5 GGBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000151203850 1417893677 /nfs/dbraw/zinc/89/36/77/1417893677.db2.gz DAXCSRHHTGTPHW-MRXNPFEDSA-N 1 0 377.460 3.247 20 5 GGBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000151248845 1417903142 /nfs/dbraw/zinc/90/31/42/1417903142.db2.gz PDXRYEYWWBNTHJ-SNVBAGLBSA-N 1 0 390.665 3.225 20 5 GGBDRO COc1ccc(-c2ccc(C[NH2+][C@H](C)CO[C@@H]3CCOC3)o2)c([N+](=O)[O-])c1 ZINC000151252561 1417904434 /nfs/dbraw/zinc/90/44/34/1417904434.db2.gz AJPPJCSOFUBVEM-CZUORRHYSA-N 1 0 376.409 3.147 20 5 GGBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)c1 ZINC000151259030 1417906166 /nfs/dbraw/zinc/90/61/66/1417906166.db2.gz KUEHGMXEIXUNNH-UHFFFAOYSA-N 1 0 380.452 3.120 20 5 GGBDRO COc1cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c(-c2ccccc2)cc1OC ZINC000151258653 1417906472 /nfs/dbraw/zinc/90/64/72/1417906472.db2.gz XJZPKWOVNPFZQM-UHFFFAOYSA-N 1 0 382.420 3.265 20 5 GGBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000151670564 1418056783 /nfs/dbraw/zinc/05/67/83/1418056783.db2.gz XUACTPNJQJNZIA-UHFFFAOYSA-N 1 0 389.477 3.194 20 5 GGBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2cc(F)c([N+](=O)[O-])cc2F)CC1 ZINC000151714828 1418069766 /nfs/dbraw/zinc/06/97/66/1418069766.db2.gz OIXYIEVXCFRIRY-UHFFFAOYSA-N 1 0 379.363 3.203 20 5 GGBDRO CN(C(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000151761517 1418080673 /nfs/dbraw/zinc/08/06/73/1418080673.db2.gz FDOAWMFSQHZWFK-QGZVFWFLSA-N 1 0 396.447 3.013 20 5 GGBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000151983152 1418112503 /nfs/dbraw/zinc/11/25/03/1418112503.db2.gz NYHSOGWKUKSGHT-KRWDZBQOSA-N 1 0 375.400 3.052 20 5 GGBDRO C[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)[N@H+](C)C1CC1 ZINC000152090982 1418142346 /nfs/dbraw/zinc/14/23/46/1418142346.db2.gz PFWQDOBHJUIQLF-QMMMGPOBSA-N 1 0 390.665 3.223 20 5 GGBDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N(C)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000179021703 1429244341 /nfs/dbraw/zinc/24/43/41/1429244341.db2.gz NYXUBARNCOGWLA-UHFFFAOYSA-N 1 0 382.464 3.402 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000179057133 1429251758 /nfs/dbraw/zinc/25/17/58/1429251758.db2.gz BOSFPRVKWOCYID-QGZVFWFLSA-N 1 0 383.448 3.132 20 5 GGBDRO C[C@H](C[NH3+])N(C)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000179193242 1429291000 /nfs/dbraw/zinc/29/10/00/1429291000.db2.gz FARPJTSFOBHBNJ-GFCCVEGCSA-N 1 0 376.844 3.280 20 5 GGBDRO CCCCNC(=O)C1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000179329514 1429330507 /nfs/dbraw/zinc/33/05/07/1429330507.db2.gz KFODKYJAHZAUSO-UHFFFAOYSA-N 1 0 399.495 3.124 20 5 GGBDRO CNC(=O)CC[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000179413090 1429364552 /nfs/dbraw/zinc/36/45/52/1429364552.db2.gz LAUBODCBIREFSQ-UHFFFAOYSA-N 1 0 393.447 3.015 20 5 GGBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)NC1CC[NH+](CC2CC2)CC1 ZINC000179419461 1429367824 /nfs/dbraw/zinc/36/78/24/1429367824.db2.gz LYOLPXZNKUKBCS-UHFFFAOYSA-N 1 0 397.273 3.353 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000179443687 1429378744 /nfs/dbraw/zinc/37/87/44/1429378744.db2.gz HSDNSUZJRWSSRD-UHFFFAOYSA-N 1 0 382.464 3.309 20 5 GGBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000179450577 1429381085 /nfs/dbraw/zinc/38/10/85/1429381085.db2.gz JNMHPXYDOWAMJH-VLIAUNLRSA-N 1 0 382.464 3.094 20 5 GGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1C[C@@H](O)CN1Cc1ccccc1)C1CC1 ZINC000179484953 1429389681 /nfs/dbraw/zinc/38/96/81/1429389681.db2.gz BINPGLYEPCPJJZ-VSKRKVRLSA-N 1 0 395.503 3.141 20 5 GGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H](O)CN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000179485578 1429390200 /nfs/dbraw/zinc/39/02/00/1429390200.db2.gz NJLBNYJUCQWLCW-DBVUQKKJSA-N 1 0 399.491 3.280 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179516257 1429405418 /nfs/dbraw/zinc/40/54/18/1429405418.db2.gz RMGKEOFZLRSING-OAHLLOKOSA-N 1 0 398.467 3.107 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@H](OCCO)C3)o2)c(Cl)c1 ZINC000179570045 1429440056 /nfs/dbraw/zinc/44/00/56/1429440056.db2.gz QZJIAVVHMAKSAY-CQSZACIVSA-N 1 0 380.828 3.482 20 5 GGBDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccc(OC(F)F)c1 ZINC000179586457 1429455238 /nfs/dbraw/zinc/45/52/38/1429455238.db2.gz XZGKPNIMTILMQI-GFCCVEGCSA-N 1 0 391.374 3.436 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000179605012 1429466905 /nfs/dbraw/zinc/46/69/05/1429466905.db2.gz FYOWPXKTWBVRCA-LLVKDONJSA-N 1 0 395.362 3.494 20 5 GGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[NH+](CC3CCOCC3)CC2)o1 ZINC000179625953 1429476493 /nfs/dbraw/zinc/47/64/93/1429476493.db2.gz JXUZWNVGBMBRJU-UHFFFAOYSA-N 1 0 385.464 3.399 20 5 GGBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1 ZINC000179616282 1429472378 /nfs/dbraw/zinc/47/23/78/1429472378.db2.gz HMZCRYTZKSTDHZ-NSHDSACASA-N 1 0 395.362 3.494 20 5 GGBDRO Cn1cc(C[N@H+](C)C[C@H]2COc3ccccc3O2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179633230 1429481444 /nfs/dbraw/zinc/48/14/44/1429481444.db2.gz BWDXDLHBAQXTKU-SFHVURJKSA-N 1 0 394.431 3.267 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179647367 1429488422 /nfs/dbraw/zinc/48/84/22/1429488422.db2.gz YYWYOCUERYQNJA-CQSZACIVSA-N 1 0 399.447 3.112 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000179670230 1429500068 /nfs/dbraw/zinc/50/00/68/1429500068.db2.gz ZSCOOBDMXTZTFC-UHFFFAOYSA-N 1 0 375.812 3.474 20 5 GGBDRO COc1ccc(NC(=O)C[NH2+]C2(c3cccc(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000179679546 1429504073 /nfs/dbraw/zinc/50/40/73/1429504073.db2.gz VZIXCPXYRZVCHQ-UHFFFAOYSA-N 1 0 375.812 3.474 20 5 GGBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000179698931 1429512407 /nfs/dbraw/zinc/51/24/07/1429512407.db2.gz LLRFLCMFGLNVHU-UHFFFAOYSA-N 1 0 397.475 3.071 20 5 GGBDRO COc1cc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)ccc1OCc1ccncc1 ZINC000179699699 1429512804 /nfs/dbraw/zinc/51/28/04/1429512804.db2.gz CXXPNHIJANOTAS-HNNXBMFYSA-N 1 0 397.435 3.125 20 5 GGBDRO COc1cc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)ccc1OCc1ccncc1 ZINC000179699661 1429512901 /nfs/dbraw/zinc/51/29/01/1429512901.db2.gz KOSQRXWJGZGYQI-OAHLLOKOSA-N 1 0 397.435 3.125 20 5 GGBDRO C[C@@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000179742628 1429532496 /nfs/dbraw/zinc/53/24/96/1429532496.db2.gz XEFPWUIVXRIIRR-ZUOKHONESA-N 1 0 397.431 3.434 20 5 GGBDRO C[C@@H](Nc1ccc(C(=O)NCC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000152618760 1422169272 /nfs/dbraw/zinc/16/92/72/1422169272.db2.gz BFHIEUFRAJOWCB-CVEARBPZSA-N 1 0 397.479 3.282 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179748061 1429535907 /nfs/dbraw/zinc/53/59/07/1429535907.db2.gz FSVLKDJRRWQGJG-NRFANRHFSA-N 1 0 397.431 3.354 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179747977 1429536014 /nfs/dbraw/zinc/53/60/14/1429536014.db2.gz FJAMCGZHVXVZOY-OAQYLSRUSA-N 1 0 397.431 3.354 20 5 GGBDRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1[N+](=O)[O-] ZINC000179754371 1429540612 /nfs/dbraw/zinc/54/06/12/1429540612.db2.gz JNKHAQODKJLBID-UHFFFAOYSA-N 1 0 397.431 3.483 20 5 GGBDRO COc1ccccc1COC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000179755533 1429541547 /nfs/dbraw/zinc/54/15/47/1429541547.db2.gz YPODVTHUVYZQLD-HXUWFJFHSA-N 1 0 386.448 3.318 20 5 GGBDRO O=C(N[C@@H]1CCN(c2ccccn2)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000152848274 1422270447 /nfs/dbraw/zinc/27/04/47/1422270447.db2.gz ZJHCVFBXRWTMIV-CYBMUJFWSA-N 1 0 380.326 3.017 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000152898405 1422287908 /nfs/dbraw/zinc/28/79/08/1422287908.db2.gz AWQQQKZTPYZRCF-UHFFFAOYSA-N 1 0 391.468 3.357 20 5 GGBDRO C[C@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000179760069 1429545151 /nfs/dbraw/zinc/54/51/51/1429545151.db2.gz XUHAFJMSTPVXLL-RNODOKPDSA-N 1 0 397.431 3.434 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](CCCO)c1ccccc1 ZINC000179761828 1429545749 /nfs/dbraw/zinc/54/57/49/1429545749.db2.gz VIQDDYWVKHZOGO-QGZVFWFLSA-N 1 0 387.436 3.035 20 5 GGBDRO COc1ccc(-c2ccc(C[NH2+]CCCO[C@@H]3CCOC3)o2)c([N+](=O)[O-])c1 ZINC000152954344 1422306407 /nfs/dbraw/zinc/30/64/07/1422306407.db2.gz VUBTUZVGFLYDME-MRXNPFEDSA-N 1 0 376.409 3.149 20 5 GGBDRO O=C1CCCCN1C1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000153055765 1422341406 /nfs/dbraw/zinc/34/14/06/1422341406.db2.gz RVMRBOOQPDEHMB-UHFFFAOYSA-N 1 0 398.463 3.269 20 5 GGBDRO Cc1ccc(C[NH+]2CCC(C(=O)NCCCOC(C)C)CC2)cc1[N+](=O)[O-] ZINC000153073188 1422347439 /nfs/dbraw/zinc/34/74/39/1422347439.db2.gz RUPFLVZYHXUVQA-UHFFFAOYSA-N 1 0 377.485 3.047 20 5 GGBDRO C[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000153098831 1422355961 /nfs/dbraw/zinc/35/59/61/1422355961.db2.gz HPJUCZIZICJVOJ-CYBMUJFWSA-N 1 0 389.477 3.256 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000153101161 1422356732 /nfs/dbraw/zinc/35/67/32/1422356732.db2.gz LSZVKXHYXFMRGH-AWEZNQCLSA-N 1 0 378.450 3.036 20 5 GGBDRO Cc1ccc([C@@H](C)[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000153101070 1422357216 /nfs/dbraw/zinc/35/72/16/1422357216.db2.gz LSZVKXHYXFMRGH-CQSZACIVSA-N 1 0 378.450 3.036 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOc1ccc(S(C)(=O)=O)cc1 ZINC000153109415 1422359889 /nfs/dbraw/zinc/35/98/89/1422359889.db2.gz QSPUNCQZVXCYGZ-AWEZNQCLSA-N 1 0 378.450 3.036 20 5 GGBDRO COc1cc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c([N+](=O)[O-])cc1OC ZINC000179778275 1429556741 /nfs/dbraw/zinc/55/67/41/1429556741.db2.gz IJVSUNBSZAWHII-CQSZACIVSA-N 1 0 397.435 3.034 20 5 GGBDRO O=C(CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccc2c(c1)OCO2 ZINC000153225139 1422400223 /nfs/dbraw/zinc/40/02/23/1422400223.db2.gz CFMWWWLTSOBKBT-UHFFFAOYSA-N 1 0 383.404 3.317 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000153268934 1422429770 /nfs/dbraw/zinc/42/97/70/1422429770.db2.gz RAAMJWDAVIERIQ-AWEZNQCLSA-N 1 0 393.509 3.080 20 5 GGBDRO COc1ccc(C[N@@H+]2CCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000153308617 1422459382 /nfs/dbraw/zinc/45/93/82/1422459382.db2.gz BDQFKVFSFIDQKS-UHFFFAOYSA-N 1 0 397.475 3.271 20 5 GGBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)c1 ZINC000153352517 1422487581 /nfs/dbraw/zinc/48/75/81/1422487581.db2.gz DHMJMZCEDNNWDB-UHFFFAOYSA-N 1 0 382.420 3.372 20 5 GGBDRO COc1ccc(C[C@@H](C)C[N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000153367857 1422499381 /nfs/dbraw/zinc/49/93/81/1422499381.db2.gz QCVZVQJQPJVCSJ-MRXNPFEDSA-N 1 0 385.464 3.377 20 5 GGBDRO CCOc1ccc([C@H](C)[NH2+]CCCNC(=O)c2cccc(O)c2)cc1[N+](=O)[O-] ZINC000153485560 1422564329 /nfs/dbraw/zinc/56/43/29/1422564329.db2.gz PWQDMOGRBOBFOX-AWEZNQCLSA-N 1 0 387.436 3.170 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N3C[C@H](C)[NH2+][C@@H](C)C3)cc2[N+](=O)[O-])n1 ZINC000153627977 1422658353 /nfs/dbraw/zinc/65/83/53/1422658353.db2.gz UUNCBGJSGHABGC-QWRGUYRKSA-N 1 0 392.506 3.333 20 5 GGBDRO O=C(NC1CC1)c1ccc(C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000153707092 1422713745 /nfs/dbraw/zinc/71/37/45/1422713745.db2.gz UNKPNNRLHBGMJD-NRFANRHFSA-N 1 0 395.459 3.185 20 5 GGBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)[C@@H]3CCC[N@H+](C)C3)cc2[N+](=O)[O-])C1 ZINC000153745899 1422735636 /nfs/dbraw/zinc/73/56/36/1422735636.db2.gz JXVKBGOUONZAMG-SOLBZPMBSA-N 1 0 388.512 3.243 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000153790249 1422759968 /nfs/dbraw/zinc/75/99/68/1422759968.db2.gz HTMGHRURHWZQAC-NVXWUHKLSA-N 1 0 378.473 3.162 20 5 GGBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000153807510 1422769467 /nfs/dbraw/zinc/76/94/67/1422769467.db2.gz LOUWMOFTKUALQO-UHFFFAOYSA-N 1 0 376.844 3.281 20 5 GGBDRO CC[NH+](CC)Cc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000153829449 1422784767 /nfs/dbraw/zinc/78/47/67/1422784767.db2.gz BWNGLPZJOZIKDR-UHFFFAOYSA-N 1 0 393.465 3.246 20 5 GGBDRO CN(C[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1)C(=O)OC(C)(C)C ZINC000153835857 1422789787 /nfs/dbraw/zinc/78/97/87/1422789787.db2.gz YKVUUBKERXIXKS-QAPCUYQASA-N 1 0 393.484 3.207 20 5 GGBDRO CCOc1ccc([C@@H](C)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000153876009 1422803360 /nfs/dbraw/zinc/80/33/60/1422803360.db2.gz HGRURWMDAVWDCQ-HZPDHXFCSA-N 1 0 377.485 3.145 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000153956238 1422816651 /nfs/dbraw/zinc/81/66/51/1422816651.db2.gz YULSOIZJDVMDQD-HNNXBMFYSA-N 1 0 395.525 3.041 20 5 GGBDRO CCO[C@H]1C[C@H]([N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C12CCC2 ZINC000153959279 1422817416 /nfs/dbraw/zinc/81/74/16/1422817416.db2.gz NINHBZNCVKKBRB-ROUUACIJSA-N 1 0 389.452 3.172 20 5 GGBDRO CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1)[N@@H+]1CCc2ccccc2C1 ZINC000153996206 1422822883 /nfs/dbraw/zinc/82/28/83/1422822883.db2.gz NFVACOHMDUJNKQ-GOSISDBHSA-N 1 0 383.448 3.170 20 5 GGBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000154018797 1422826472 /nfs/dbraw/zinc/82/64/72/1422826472.db2.gz JRJXUGALLVUSRK-UHFFFAOYSA-N 1 0 377.466 3.328 20 5 GGBDRO CCO[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C12CCC2 ZINC000154033080 1422829076 /nfs/dbraw/zinc/82/90/76/1422829076.db2.gz RWVWJASDTKKHJH-MSOLQXFVSA-N 1 0 391.468 3.212 20 5 GGBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)C1CC[NH+](C)CC1 ZINC000154067316 1422835219 /nfs/dbraw/zinc/83/52/19/1422835219.db2.gz HFRIVEURLXEOCR-UHFFFAOYSA-N 1 0 382.464 3.373 20 5 GGBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000154085279 1422838013 /nfs/dbraw/zinc/83/80/13/1422838013.db2.gz JWURMVMERXTYLA-KSSFIOAISA-N 1 0 375.494 3.162 20 5 GGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000154089965 1422839031 /nfs/dbraw/zinc/83/90/31/1422839031.db2.gz CNOOVZBRTFLCCX-HZPDHXFCSA-N 1 0 386.496 3.493 20 5 GGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000154089795 1422839105 /nfs/dbraw/zinc/83/91/05/1422839105.db2.gz CNOOVZBRTFLCCX-IYBDPMFKSA-N 1 0 386.496 3.493 20 5 GGBDRO CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000154206982 1422855161 /nfs/dbraw/zinc/85/51/61/1422855161.db2.gz MPEYGCNSPSCWBO-CQSZACIVSA-N 1 0 387.436 3.461 20 5 GGBDRO CCOc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)c([N+](=O)[O-])cc1OC ZINC000154264813 1422863853 /nfs/dbraw/zinc/86/38/53/1422863853.db2.gz UWGJDNHCTZBFQJ-HNNXBMFYSA-N 1 0 393.484 3.242 20 5 GGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000154268126 1422864604 /nfs/dbraw/zinc/86/46/04/1422864604.db2.gz SXGFWSDEVYBWQH-PBHICJAKSA-N 1 0 375.469 3.435 20 5 GGBDRO CN(C)C(=O)COc1ccccc1CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000154290145 1422867593 /nfs/dbraw/zinc/86/75/93/1422867593.db2.gz GLBLHBJPJHTPEB-UHFFFAOYSA-N 1 0 383.448 3.226 20 5 GGBDRO Cc1c(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)cccc1[N+](=O)[O-] ZINC000154392732 1422883034 /nfs/dbraw/zinc/88/30/34/1422883034.db2.gz DSDMSUMAULWIMF-UHFFFAOYSA-N 1 0 383.448 3.360 20 5 GGBDRO CCC[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000154448422 1422889837 /nfs/dbraw/zinc/88/98/37/1422889837.db2.gz DBJNRNPBKLSZNV-RTBURBONSA-N 1 0 379.526 3.234 20 5 GGBDRO CSc1ccc(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)cc1[N+](=O)[O-] ZINC000154583052 1422943601 /nfs/dbraw/zinc/94/36/01/1422943601.db2.gz MQQQOZSNMDBQGM-UHFFFAOYSA-N 1 0 377.441 3.447 20 5 GGBDRO COc1cc(C[N@@H+]2CCC[C@H](CO)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000154618160 1422965404 /nfs/dbraw/zinc/96/54/04/1422965404.db2.gz CBQANILVZWXBEG-SFHVURJKSA-N 1 0 386.448 3.387 20 5 GGBDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154640639 1422977506 /nfs/dbraw/zinc/97/75/06/1422977506.db2.gz VAPLUXGFNXAAAA-HFTRVMKXSA-N 1 0 393.484 3.253 20 5 GGBDRO O=C(c1cc([N+](=O)[O-])ccc1Br)N1CC[NH+](C2CCCCC2)CC1 ZINC000154645061 1422981581 /nfs/dbraw/zinc/98/15/81/1422981581.db2.gz JQQRYORFIKUJNF-UHFFFAOYSA-N 1 0 396.285 3.448 20 5 GGBDRO Cc1ccc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)c(OCC[NH+](C)C)c1 ZINC000154656369 1422987012 /nfs/dbraw/zinc/98/70/12/1422987012.db2.gz RKDJLTQOGDRWOJ-UHFFFAOYSA-N 1 0 386.452 3.208 20 5 GGBDRO CC(C)(CNC(=O)CCc1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000154673218 1422996780 /nfs/dbraw/zinc/99/67/80/1422996780.db2.gz JQZWQAYWLGSWQJ-UHFFFAOYSA-N 1 0 381.476 3.481 20 5 GGBDRO O=C1N(CN2CCCN(c3ccccc3)CC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000154687076 1423001228 /nfs/dbraw/zinc/00/12/28/1423001228.db2.gz ZMUXXZCXUPZPKE-UHFFFAOYSA-N 1 0 395.463 3.007 20 5 GGBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000154805336 1423039525 /nfs/dbraw/zinc/03/95/25/1423039525.db2.gz XMGVFOQFMYWRNP-KSSFIOAISA-N 1 0 380.448 3.232 20 5 GGBDRO O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000154955357 1423090925 /nfs/dbraw/zinc/09/09/25/1423090925.db2.gz XQRKAQQZRNLUKL-UHFFFAOYSA-N 1 0 396.285 3.448 20 5 GGBDRO C[NH+](C)CCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000154974743 1423096841 /nfs/dbraw/zinc/09/68/41/1423096841.db2.gz ZAEFWUZDMNIOPV-UHFFFAOYSA-N 1 0 377.828 3.119 20 5 GGBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000155069286 1423144391 /nfs/dbraw/zinc/14/43/91/1423144391.db2.gz PSIYTLAVTICMLU-UHFFFAOYSA-N 1 0 388.468 3.048 20 5 GGBDRO CN(C(=O)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000155146197 1423195180 /nfs/dbraw/zinc/19/51/80/1423195180.db2.gz RWVJPSXQJSAPJR-SFHVURJKSA-N 1 0 388.512 3.146 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000155146806 1423195762 /nfs/dbraw/zinc/19/57/62/1423195762.db2.gz VRVSHVSMOUEEJG-GOSISDBHSA-N 1 0 388.512 3.430 20 5 GGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(OCCN3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000155164027 1423204558 /nfs/dbraw/zinc/20/45/58/1423204558.db2.gz AXYIHPDLYBLCBX-GOSISDBHSA-N 1 0 399.491 3.465 20 5 GGBDRO Cc1c([C@@H](C)[NH2+]Cc2cccc(OCCN3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000155169170 1423207729 /nfs/dbraw/zinc/20/77/29/1423207729.db2.gz PMYYIIYCEVRZQW-GOSISDBHSA-N 1 0 399.491 3.465 20 5 GGBDRO CN(c1ccccc1)c1ccc(CN(CCO)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000155499561 1423387999 /nfs/dbraw/zinc/38/79/99/1423387999.db2.gz SCAAANSCGRJWPF-UHFFFAOYSA-N 1 0 398.507 3.251 20 5 GGBDRO CN1CCC([N@H+](CCO)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000155499070 1423388154 /nfs/dbraw/zinc/38/81/54/1423388154.db2.gz PKPXBCVFMNUDKR-UHFFFAOYSA-N 1 0 375.494 3.212 20 5 GGBDRO CC[NH+](CC)[C@H]1CCN(Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000179915549 1429638441 /nfs/dbraw/zinc/63/84/41/1429638441.db2.gz GJSMLKNYAUNUGV-AWEZNQCLSA-N 1 0 387.427 3.163 20 5 GGBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)CC[C@@H]21 ZINC000155706383 1423496926 /nfs/dbraw/zinc/49/69/26/1423496926.db2.gz HCOGSXYSBPZVQE-XLIONFOSSA-N 1 0 389.499 3.097 20 5 GGBDRO COc1cc(CN(C)C[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179938698 1429652514 /nfs/dbraw/zinc/65/25/14/1429652514.db2.gz HTELMMWOPUJCRQ-CYBMUJFWSA-N 1 0 387.427 3.021 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2(c3ccc(F)cc3F)CCC2)c1 ZINC000179987973 1429677190 /nfs/dbraw/zinc/67/71/90/1429677190.db2.gz MRRNTAWITVIASZ-OAHLLOKOSA-N 1 0 378.375 3.282 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2(c3ccc(F)cc3F)CCC2)c1 ZINC000179987989 1429677255 /nfs/dbraw/zinc/67/72/55/1429677255.db2.gz MRRNTAWITVIASZ-HNNXBMFYSA-N 1 0 378.375 3.282 20 5 GGBDRO C[C@@H]1C[C@@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000156998795 1423899640 /nfs/dbraw/zinc/89/96/40/1423899640.db2.gz KIAJXVNOVBVEDK-UZLBHIALSA-N 1 0 396.491 3.179 20 5 GGBDRO C[C@H]1C[C@@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000156998904 1423899647 /nfs/dbraw/zinc/89/96/47/1423899647.db2.gz KIAJXVNOVBVEDK-JXFKEZNVSA-N 1 0 396.491 3.179 20 5 GGBDRO NC(=O)[C@@H]1CC[N@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000157074922 1423918095 /nfs/dbraw/zinc/91/80/95/1423918095.db2.gz SPZFBOJVILNEGF-CYBMUJFWSA-N 1 0 375.812 3.348 20 5 GGBDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]CCOc3ccc([N+](=O)[O-])cc3)ccc2NC1=O ZINC000180003832 1429685370 /nfs/dbraw/zinc/68/53/70/1429685370.db2.gz JUNYTWZPNTZURL-UGSOOPFHSA-N 1 0 385.420 3.434 20 5 GGBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC([NH+]2CC=CC2)CC1 ZINC000157396476 1424002276 /nfs/dbraw/zinc/00/22/76/1424002276.db2.gz UBMMTYKWNLVRRA-UHFFFAOYSA-N 1 0 384.358 3.482 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000157569166 1424039416 /nfs/dbraw/zinc/03/94/16/1424039416.db2.gz DCMAUSXGAIKESP-QGZVFWFLSA-N 1 0 389.496 3.477 20 5 GGBDRO CC[C@H]1Oc2cc([C@H](C)[NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)ccc2NC1=O ZINC000180017551 1429694377 /nfs/dbraw/zinc/69/43/77/1429694377.db2.gz FAHHUWCKNIMYBW-UYHISHBKSA-N 1 0 385.420 3.089 20 5 GGBDRO CCCc1n[nH]c(C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000157714026 1424071961 /nfs/dbraw/zinc/07/19/61/1424071961.db2.gz SLRVQXNTOXYRKW-HNNXBMFYSA-N 1 0 391.516 3.387 20 5 GGBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000180021421 1429697162 /nfs/dbraw/zinc/69/71/62/1429697162.db2.gz GROVLUVAWQGQCE-ZDUSSCGKSA-N 1 0 382.420 3.159 20 5 GGBDRO CSc1ccc(C(=O)c2ccccc2C(=O)N2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000157823525 1424096122 /nfs/dbraw/zinc/09/61/22/1424096122.db2.gz KMGSNCBUQKWNJY-AWEZNQCLSA-N 1 0 399.472 3.111 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000157943707 1424125867 /nfs/dbraw/zinc/12/58/67/1424125867.db2.gz BWQWNVCEYBZKTI-OAHLLOKOSA-N 1 0 399.447 3.430 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000158058532 1424152207 /nfs/dbraw/zinc/15/22/07/1424152207.db2.gz KLSGIVGEQGPRIO-SCLBCKFNSA-N 1 0 385.420 3.253 20 5 GGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000158184107 1424188335 /nfs/dbraw/zinc/18/83/35/1424188335.db2.gz CDCBLLQYVTXGJY-KRWDZBQOSA-N 1 0 385.247 3.430 20 5 GGBDRO CC(C)(C)C(=O)N1CCC(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000158596090 1424298425 /nfs/dbraw/zinc/29/84/25/1424298425.db2.gz ZQRQCHFAMGYLNR-UHFFFAOYSA-N 1 0 388.512 3.002 20 5 GGBDRO O=C(CC[N@@H+]1CCO[C@]2(CCc3ccccc32)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000158709666 1424324541 /nfs/dbraw/zinc/32/45/41/1424324541.db2.gz ZENGYOSDZXZTFV-OAQYLSRUSA-N 1 0 381.432 3.097 20 5 GGBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c(F)c1 ZINC000158960093 1424382165 /nfs/dbraw/zinc/38/21/65/1424382165.db2.gz YPDJOWISAPFWDT-UHFFFAOYSA-N 1 0 399.488 3.011 20 5 GGBDRO CC[NH+](CC)Cc1ccc(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)cc1 ZINC000159036489 1424401000 /nfs/dbraw/zinc/40/10/00/1424401000.db2.gz MQDAHDDKCTWDBV-UHFFFAOYSA-N 1 0 384.480 3.479 20 5 GGBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000159085340 1424413889 /nfs/dbraw/zinc/41/38/89/1424413889.db2.gz HUKIQODKVYRJKI-BRWVUGGUSA-N 1 0 388.512 3.149 20 5 GGBDRO CC(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000159422649 1424501540 /nfs/dbraw/zinc/50/15/40/1424501540.db2.gz WQEIJENPEQHDTF-MRXNPFEDSA-N 1 0 383.514 3.012 20 5 GGBDRO COc1ccc([C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000159490802 1424507080 /nfs/dbraw/zinc/50/70/80/1424507080.db2.gz ZLDAMQPNDJHUCV-LJQANCHMSA-N 1 0 387.411 3.309 20 5 GGBDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000159533421 1424511030 /nfs/dbraw/zinc/51/10/30/1424511030.db2.gz LTLZYFXXMZNMFY-UHFFFAOYSA-N 1 0 398.438 3.348 20 5 GGBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000159566880 1424515030 /nfs/dbraw/zinc/51/50/30/1424515030.db2.gz ZIXRQUAMGNFFTM-FQEVSTJZSA-N 1 0 382.464 3.274 20 5 GGBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000159566740 1424515053 /nfs/dbraw/zinc/51/50/53/1424515053.db2.gz ZIXRQUAMGNFFTM-HXUWFJFHSA-N 1 0 382.464 3.274 20 5 GGBDRO CCC[C@H]1CN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC[N@@H+]1CCOC ZINC000159766365 1424532536 /nfs/dbraw/zinc/53/25/36/1424532536.db2.gz JMFVJPCARRLJDY-HNNXBMFYSA-N 1 0 394.497 3.262 20 5 GGBDRO CCN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159778359 1424534093 /nfs/dbraw/zinc/53/40/93/1424534093.db2.gz CLZGZMPHUXIYAO-HXUWFJFHSA-N 1 0 382.464 3.401 20 5 GGBDRO CCCc1n[nH]c(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000160254219 1424590779 /nfs/dbraw/zinc/59/07/79/1424590779.db2.gz MLJPUSCAEQLQLY-UHFFFAOYSA-N 1 0 385.468 3.007 20 5 GGBDRO Cc1cc(S(=O)(=O)NC2CC[NH+](C3CCCCC3)CC2)cc([N+](=O)[O-])c1F ZINC000180104134 1429739825 /nfs/dbraw/zinc/73/98/25/1429739825.db2.gz RZEWMSWGWJSTDM-UHFFFAOYSA-N 1 0 399.488 3.118 20 5 GGBDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000160614284 1424619665 /nfs/dbraw/zinc/61/96/65/1424619665.db2.gz QVCUISLGNOKMQN-HNNXBMFYSA-N 1 0 388.855 3.294 20 5 GGBDRO COc1cc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000160617244 1424620105 /nfs/dbraw/zinc/62/01/05/1424620105.db2.gz CSHWBJFMRQPMHX-UHFFFAOYSA-N 1 0 387.411 3.137 20 5 GGBDRO O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160724219 1424629775 /nfs/dbraw/zinc/62/97/75/1424629775.db2.gz CZZKDQPOUKVBFA-HDICACEKSA-N 1 0 380.448 3.173 20 5 GGBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000160796274 1424635516 /nfs/dbraw/zinc/63/55/16/1424635516.db2.gz DYZKUBQNARIOLH-NXEZZACHSA-N 1 0 398.250 3.087 20 5 GGBDRO COc1cc(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000160857171 1424639948 /nfs/dbraw/zinc/63/99/48/1424639948.db2.gz DBNLFQLILMBTBX-UHFFFAOYSA-N 1 0 375.469 3.332 20 5 GGBDRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160915495 1424644398 /nfs/dbraw/zinc/64/43/98/1424644398.db2.gz JVIOOBQFCQAVJF-OALUTQOASA-N 1 0 375.469 3.262 20 5 GGBDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000161438455 1424689378 /nfs/dbraw/zinc/68/93/78/1424689378.db2.gz MROAZFMHUVSUQP-UONOGXRCSA-N 1 0 377.466 3.223 20 5 GGBDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000161447388 1424690686 /nfs/dbraw/zinc/69/06/86/1424690686.db2.gz VSWGCGOCKVKHDQ-KGLIPLIRSA-N 1 0 377.466 3.223 20 5 GGBDRO CC1CC[NH+](C2CCC(NC(=O)COc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000161464573 1424693678 /nfs/dbraw/zinc/69/36/78/1424693678.db2.gz QWBGPRLKPFCPDW-UHFFFAOYSA-N 1 0 375.469 3.133 20 5 GGBDRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000161506419 1424696715 /nfs/dbraw/zinc/69/67/15/1424696715.db2.gz USMGOXKZMYQJQN-UHFFFAOYSA-N 1 0 391.855 3.461 20 5 GGBDRO CC1CC[NH+](C2CCC(NC(=O)CN(C)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000161595562 1424720552 /nfs/dbraw/zinc/72/05/52/1424720552.db2.gz ASHGGFLVJLPQCC-UHFFFAOYSA-N 1 0 388.512 3.190 20 5 GGBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000161669662 1424737219 /nfs/dbraw/zinc/73/72/19/1424737219.db2.gz YDOWYPIGJLUYJJ-OAHLLOKOSA-N 1 0 389.477 3.489 20 5 GGBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)[C@@H]1CN(C)CCO1 ZINC000161726903 1424752127 /nfs/dbraw/zinc/75/21/27/1424752127.db2.gz KHAKZGFJRWECBO-GUYCJALGSA-N 1 0 393.509 3.078 20 5 GGBDRO CCOC(=O)CC[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000161869284 1424783846 /nfs/dbraw/zinc/78/38/46/1424783846.db2.gz BSNQNFUSKKRTJR-INIZCTEOSA-N 1 0 391.468 3.287 20 5 GGBDRO COC(=O)c1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000161927802 1424799115 /nfs/dbraw/zinc/79/91/15/1424799115.db2.gz GMOLWRMLRRDTNR-MLGOLLRUSA-N 1 0 393.871 3.488 20 5 GGBDRO Cc1c([C@H](C)[NH2+]Cc2ccccc2OCCN2CCOCC2)cccc1[N+](=O)[O-] ZINC000162029036 1424809958 /nfs/dbraw/zinc/80/99/58/1424809958.db2.gz JRMIBAHJVBJKCX-SFHVURJKSA-N 1 0 399.491 3.465 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCC(O)CC2)cc1 ZINC000162269201 1424833133 /nfs/dbraw/zinc/83/31/33/1424833133.db2.gz WSDFFZFQMJADLN-UHFFFAOYSA-N 1 0 378.432 3.404 20 5 GGBDRO C[NH+](C)[C@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)Cc1ccccc1 ZINC000162469410 1424856230 /nfs/dbraw/zinc/85/62/30/1424856230.db2.gz XRGASIOOQNVZMT-NRFANRHFSA-N 1 0 396.491 3.442 20 5 GGBDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000162500381 1424859761 /nfs/dbraw/zinc/85/97/61/1424859761.db2.gz LKPSWHBFAZTSIP-GOSISDBHSA-N 1 0 392.843 3.079 20 5 GGBDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000162528762 1424862402 /nfs/dbraw/zinc/86/24/02/1424862402.db2.gz VBGWIVIRJIQZIZ-GOSISDBHSA-N 1 0 392.843 3.419 20 5 GGBDRO COCC[N@H+](C)CCCC1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000162591797 1424869893 /nfs/dbraw/zinc/86/98/93/1424869893.db2.gz NTMQEWOHUBEKPA-UHFFFAOYSA-N 1 0 377.485 3.372 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000162864531 1424897500 /nfs/dbraw/zinc/89/75/00/1424897500.db2.gz YADRGAITLCKABM-UHFFFAOYSA-N 1 0 397.479 3.237 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000162957150 1424912724 /nfs/dbraw/zinc/91/27/24/1424912724.db2.gz HOFUBIPEKQUDCH-UHFFFAOYSA-N 1 0 390.484 3.260 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000163010131 1424923305 /nfs/dbraw/zinc/92/33/05/1424923305.db2.gz FTKCASWKMIUHBL-QAPCUYQASA-N 1 0 378.473 3.162 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1COc2ccccc21 ZINC000163050691 1424931452 /nfs/dbraw/zinc/93/14/52/1424931452.db2.gz PJHUYDWYOBPDLS-DVOMOZLQSA-N 1 0 385.420 3.085 20 5 GGBDRO CCCN(C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)C1CC[NH2+]CC1 ZINC000163303334 1424976171 /nfs/dbraw/zinc/97/61/71/1424976171.db2.gz YGLGQERQCFLMMF-UHFFFAOYSA-N 1 0 399.495 3.061 20 5 GGBDRO CCC[C@H]1CN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC[N@@H+]1CCOC ZINC000163302913 1424976357 /nfs/dbraw/zinc/97/63/57/1424976357.db2.gz CRCSOLVXFBBLPK-INIZCTEOSA-N 1 0 378.473 3.176 20 5 GGBDRO CC(C)OC(=O)C[C@H](NC(=O)C[C@H]([NH3+])c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000163338946 1424980969 /nfs/dbraw/zinc/98/09/69/1424980969.db2.gz SXFZPAIFXHLLPI-ROUUACIJSA-N 1 0 399.447 3.184 20 5 GGBDRO CC(C)OC(=O)C[C@H](NC(=O)C[C@@H]([NH3+])c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000163339215 1424981475 /nfs/dbraw/zinc/98/14/75/1424981475.db2.gz SXFZPAIFXHLLPI-MSOLQXFVSA-N 1 0 399.447 3.184 20 5 GGBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000163514201 1425011109 /nfs/dbraw/zinc/01/11/09/1425011109.db2.gz UEXATDFBWCTPHB-IYBDPMFKSA-N 1 0 380.920 3.239 20 5 GGBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000163514413 1425011231 /nfs/dbraw/zinc/01/12/31/1425011231.db2.gz UEXATDFBWCTPHB-HZPDHXFCSA-N 1 0 380.920 3.239 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1SC ZINC000163599974 1425023680 /nfs/dbraw/zinc/02/36/80/1425023680.db2.gz ZUVKGWYDBSRXKI-AWEZNQCLSA-N 1 0 395.525 3.423 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1OC ZINC000163649936 1425029323 /nfs/dbraw/zinc/02/93/23/1425029323.db2.gz QBPOLPLXTANXNM-HNNXBMFYSA-N 1 0 393.484 3.100 20 5 GGBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1ccc2c(c1)OCO2 ZINC000164384562 1425105676 /nfs/dbraw/zinc/10/56/76/1425105676.db2.gz AZTPPXUUBFXBFP-UHFFFAOYSA-N 1 0 385.420 3.483 20 5 GGBDRO Cc1cc(C(=O)NC2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)c(C)o1 ZINC000170775524 1425337086 /nfs/dbraw/zinc/33/70/86/1425337086.db2.gz MDWQQNCYFCLGHK-UHFFFAOYSA-N 1 0 387.436 3.078 20 5 GGBDRO Cc1c(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cccc1[N+](=O)[O-] ZINC000170834581 1425361014 /nfs/dbraw/zinc/36/10/14/1425361014.db2.gz WZKZHONLIUPVTA-UHFFFAOYSA-N 1 0 397.431 3.483 20 5 GGBDRO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000170834577 1425361199 /nfs/dbraw/zinc/36/11/99/1425361199.db2.gz UDLQTASIKMBYDE-UHFFFAOYSA-N 1 0 397.431 3.217 20 5 GGBDRO CCCNC(=O)C1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000170908258 1425387379 /nfs/dbraw/zinc/38/73/79/1425387379.db2.gz TZNQGMHGTXKMMF-UHFFFAOYSA-N 1 0 386.452 3.031 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCCN(c4nccs4)CC3)o2)c1 ZINC000170914032 1425388736 /nfs/dbraw/zinc/38/87/36/1425388736.db2.gz FSFYNDNYQSXWKD-UHFFFAOYSA-N 1 0 399.476 3.461 20 5 GGBDRO COc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000170917620 1425390255 /nfs/dbraw/zinc/39/02/55/1425390255.db2.gz IRBKNYTYNNQMGD-HNNXBMFYSA-N 1 0 379.457 3.292 20 5 GGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000171044820 1425452947 /nfs/dbraw/zinc/45/29/47/1425452947.db2.gz PGPMDMKRSMMMQM-UHFFFAOYSA-N 1 0 384.436 3.044 20 5 GGBDRO COCCC[NH+]1CCC(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000171138348 1425502073 /nfs/dbraw/zinc/50/20/73/1425502073.db2.gz GKIDNDXWBNKOOW-UHFFFAOYSA-N 1 0 377.485 3.123 20 5 GGBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000171167761 1425522396 /nfs/dbraw/zinc/52/23/96/1425522396.db2.gz LEQKHSUDKDHESY-UHFFFAOYSA-N 1 0 396.491 3.349 20 5 GGBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000171202620 1425537774 /nfs/dbraw/zinc/53/77/74/1425537774.db2.gz FNHFFEOMVLPMKK-FQEVSTJZSA-N 1 0 397.479 3.186 20 5 GGBDRO Cc1ccc([C@@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000171227231 1425550442 /nfs/dbraw/zinc/55/04/42/1425550442.db2.gz XBOAQICRALBAEE-GOSISDBHSA-N 1 0 386.452 3.475 20 5 GGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(C[NH+]2CCCC2)CC1 ZINC000171388625 1425655882 /nfs/dbraw/zinc/65/58/82/1425655882.db2.gz VJECQTHCTRVYOD-AWEZNQCLSA-N 1 0 394.903 3.383 20 5 GGBDRO CCc1n[nH]c(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000171397362 1425661562 /nfs/dbraw/zinc/66/15/62/1425661562.db2.gz VZUFEMYVSMCLQL-CQSZACIVSA-N 1 0 391.497 3.145 20 5 GGBDRO CCc1n[nH]c(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000171399646 1425662077 /nfs/dbraw/zinc/66/20/77/1425662077.db2.gz ANADUEYFEUJLAK-AWEZNQCLSA-N 1 0 385.468 3.042 20 5 GGBDRO CCc1n[nH]c(C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000171400067 1425663081 /nfs/dbraw/zinc/66/30/81/1425663081.db2.gz LAVLITVULVUEOT-GJZGRUSLSA-N 1 0 399.495 3.288 20 5 GGBDRO CCc1n[nH]c(C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000171400064 1425663103 /nfs/dbraw/zinc/66/31/03/1425663103.db2.gz LAVLITVULVUEOT-GASCZTMLSA-N 1 0 399.495 3.288 20 5 GGBDRO CCc1n[nH]c(C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000171400005 1425663221 /nfs/dbraw/zinc/66/32/21/1425663221.db2.gz MZTGMMXOGKMFKL-GASCZTMLSA-N 1 0 399.495 3.288 20 5 GGBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000171564836 1425738732 /nfs/dbraw/zinc/73/87/32/1425738732.db2.gz LFFTVSOXSBYBAR-HXUWFJFHSA-N 1 0 396.491 3.001 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000171826398 1425829882 /nfs/dbraw/zinc/82/98/82/1425829882.db2.gz TXQHMDJWLUCVNU-UHFFFAOYSA-N 1 0 398.463 3.144 20 5 GGBDRO COc1ccc(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000171826428 1425829982 /nfs/dbraw/zinc/82/99/82/1425829982.db2.gz PUWJGINLLBPJEV-UHFFFAOYSA-N 1 0 398.463 3.144 20 5 GGBDRO COc1cc(C[NH2+]C[C@](C)(O)C(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000171842810 1425833280 /nfs/dbraw/zinc/83/32/80/1425833280.db2.gz AVRVMSLZUALRFB-HNNXBMFYSA-N 1 0 380.363 3.041 20 5 GGBDRO COc1cc(C[NH2+]C[C@@](C)(O)C(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000171842804 1425833333 /nfs/dbraw/zinc/83/33/33/1425833333.db2.gz AVRVMSLZUALRFB-OAHLLOKOSA-N 1 0 380.363 3.041 20 5 GGBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000171979352 1425866610 /nfs/dbraw/zinc/86/66/10/1425866610.db2.gz JCJTXAIRDOPHEY-QGZVFWFLSA-N 1 0 376.504 3.144 20 5 GGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000172020122 1425875761 /nfs/dbraw/zinc/87/57/61/1425875761.db2.gz RBARMSSRJGKEKH-UHFFFAOYSA-N 1 0 391.493 3.176 20 5 GGBDRO NC(=O)c1cccc(CC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000172119532 1425902323 /nfs/dbraw/zinc/90/23/23/1425902323.db2.gz ZCXLMNZZDSWJGB-UHFFFAOYSA-N 1 0 382.445 3.150 20 5 GGBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000172237870 1425960473 /nfs/dbraw/zinc/96/04/73/1425960473.db2.gz GEKLVTZYRVVSSB-HZPDHXFCSA-N 1 0 380.920 3.239 20 5 GGBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000172237865 1425960677 /nfs/dbraw/zinc/96/06/77/1425960677.db2.gz GEKLVTZYRVVSSB-IYBDPMFKSA-N 1 0 380.920 3.239 20 5 GGBDRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000172379692 1426019670 /nfs/dbraw/zinc/01/96/70/1426019670.db2.gz GWYKMCZYWGYYMS-ZDUSSCGKSA-N 1 0 389.477 3.040 20 5 GGBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1OC ZINC000172417252 1426034496 /nfs/dbraw/zinc/03/44/96/1426034496.db2.gz FRADVPJVJDWVIJ-UHFFFAOYSA-N 1 0 391.468 3.093 20 5 GGBDRO CC(C)(C)c1ccc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000172464401 1426050671 /nfs/dbraw/zinc/05/06/71/1426050671.db2.gz FRMYFJSWPVUXIH-UHFFFAOYSA-N 1 0 389.496 3.077 20 5 GGBDRO O=C(CN1CCC[N@@H+](C2CCCC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000172584024 1426098492 /nfs/dbraw/zinc/09/84/92/1426098492.db2.gz ZCPSZTIBYBWAFE-UHFFFAOYSA-N 1 0 380.876 3.137 20 5 GGBDRO O=C(CN1CCC[N@@H+](C2CCCC2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000172585667 1426099268 /nfs/dbraw/zinc/09/92/68/1426099268.db2.gz MOHJAVXEYWNLBS-UHFFFAOYSA-N 1 0 380.876 3.137 20 5 GGBDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])cc1 ZINC000172676325 1426139256 /nfs/dbraw/zinc/13/92/56/1426139256.db2.gz WYGFPEJPHPOGPP-UHFFFAOYSA-N 1 0 398.463 3.227 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1SC ZINC000172707515 1426152778 /nfs/dbraw/zinc/15/27/78/1426152778.db2.gz FGJHUJAFAAZENV-AWEZNQCLSA-N 1 0 393.509 3.273 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1SC ZINC000172707510 1426152904 /nfs/dbraw/zinc/15/29/04/1426152904.db2.gz FGJHUJAFAAZENV-CQSZACIVSA-N 1 0 393.509 3.273 20 5 GGBDRO CCOC(=O)c1ccnc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000172813685 1426201237 /nfs/dbraw/zinc/20/12/37/1426201237.db2.gz LKLIZBMAICICFB-MRXNPFEDSA-N 1 0 398.463 3.267 20 5 GGBDRO COc1ccccc1[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000172953596 1426282613 /nfs/dbraw/zinc/28/26/13/1426282613.db2.gz JWIQYLMIVLCCBJ-LJQANCHMSA-N 1 0 383.448 3.099 20 5 GGBDRO COc1ccccc1[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000172953601 1426282709 /nfs/dbraw/zinc/28/27/09/1426282709.db2.gz JWIQYLMIVLCCBJ-IBGZPJMESA-N 1 0 383.448 3.099 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC[C@H](COCc4ccccc4)C3)n2)c1 ZINC000172970745 1426288459 /nfs/dbraw/zinc/28/84/59/1426288459.db2.gz ZTTMRRMMEYVYIP-SFHVURJKSA-N 1 0 393.447 3.350 20 5 GGBDRO COc1ccccc1[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000173156024 1426369479 /nfs/dbraw/zinc/36/94/79/1426369479.db2.gz ZHJKHTFXULFKPS-HXUWFJFHSA-N 1 0 397.475 3.489 20 5 GGBDRO C[C@@H]([NH2+][C@H](C)c1cccc(-n2cccn2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000173198758 1426388449 /nfs/dbraw/zinc/38/84/49/1426388449.db2.gz LLJAJBBGVBEPBN-HUUCEWRRSA-N 1 0 379.420 3.458 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000173202848 1426391141 /nfs/dbraw/zinc/39/11/41/1426391141.db2.gz SVEGUQSIKGJAMX-LSDHHAIUSA-N 1 0 379.420 3.458 20 5 GGBDRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173350485 1426527717 /nfs/dbraw/zinc/52/77/17/1426527717.db2.gz BSYUHSUAKDVZCM-OAHLLOKOSA-N 1 0 391.493 3.475 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000173450048 1426627778 /nfs/dbraw/zinc/62/77/78/1426627778.db2.gz WGTTXYNIACLEPF-MSOLQXFVSA-N 1 0 388.512 3.144 20 5 GGBDRO CC(C)n1ncc2cc(C[N@@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)cnc21 ZINC000173463363 1426637609 /nfs/dbraw/zinc/63/76/09/1426637609.db2.gz HYPRXUGWLKSHHY-MRXNPFEDSA-N 1 0 381.440 3.002 20 5 GGBDRO CC(C)n1ncc2cc(C[N@@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)cnc21 ZINC000173463350 1426637925 /nfs/dbraw/zinc/63/79/25/1426637925.db2.gz HYPRXUGWLKSHHY-INIZCTEOSA-N 1 0 381.440 3.002 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000173512813 1426683543 /nfs/dbraw/zinc/68/35/43/1426683543.db2.gz HPCQAVAOEHVYMU-INIZCTEOSA-N 1 0 383.448 3.340 20 5 GGBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000173514945 1426684918 /nfs/dbraw/zinc/68/49/18/1426684918.db2.gz FTUDISFAQFZLGM-GOSISDBHSA-N 1 0 379.464 3.356 20 5 GGBDRO C[C@@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000173531107 1426705496 /nfs/dbraw/zinc/70/54/96/1426705496.db2.gz IIYAXFTUVUTOFL-QGZVFWFLSA-N 1 0 383.448 3.097 20 5 GGBDRO O=[N+]([O-])c1cnn(CN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)c1 ZINC000173553583 1426726019 /nfs/dbraw/zinc/72/60/19/1426726019.db2.gz GJOXRADHPOONGM-INIZCTEOSA-N 1 0 397.401 3.135 20 5 GGBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000173584877 1426748178 /nfs/dbraw/zinc/74/81/78/1426748178.db2.gz DGQNXYLSNWSHDL-SFHVURJKSA-N 1 0 391.515 3.345 20 5 GGBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C1 ZINC000173587375 1426751527 /nfs/dbraw/zinc/75/15/27/1426751527.db2.gz FKFYAOJHBVXHRP-ZDUSSCGKSA-N 1 0 381.498 3.129 20 5 GGBDRO C[C@@H](CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000173593076 1426756727 /nfs/dbraw/zinc/75/67/27/1426756727.db2.gz CPNGJGKAQJHZBN-HNNXBMFYSA-N 1 0 389.427 3.140 20 5 GGBDRO CC(C)[NH+](CCCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(C)C ZINC000173615290 1426793854 /nfs/dbraw/zinc/79/38/54/1426793854.db2.gz KNQAHQQXAUTIOG-UHFFFAOYSA-N 1 0 390.528 3.436 20 5 GGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000173651746 1426810669 /nfs/dbraw/zinc/81/06/69/1426810669.db2.gz MTKGJUNTXUAXAC-AEFFLSMTSA-N 1 0 383.448 3.461 20 5 GGBDRO O=C(C[N@@H+]1CC[C@H](COCc2ccccc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000173652238 1426810876 /nfs/dbraw/zinc/81/08/76/1426810876.db2.gz VAOONWKOZYKBFF-SFHVURJKSA-N 1 0 395.459 3.023 20 5 GGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000173653633 1426811194 /nfs/dbraw/zinc/81/11/94/1426811194.db2.gz RPRCNYTYNSXJIZ-AEFFLSMTSA-N 1 0 383.448 3.461 20 5 GGBDRO O=C(CC[N@@H+]1CC[C@@H](COCc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000173657021 1426812283 /nfs/dbraw/zinc/81/22/83/1426812283.db2.gz ZQDOGPOFSVBPDH-GOSISDBHSA-N 1 0 383.448 3.462 20 5 GGBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](Cc2ccccc2Cl)C2CCCC2)c1 ZINC000173664718 1426814199 /nfs/dbraw/zinc/81/41/99/1426814199.db2.gz QBFUOBXATCRVIC-QGZVFWFLSA-N 1 0 378.860 3.250 20 5 GGBDRO COc1cc(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000173704351 1426826845 /nfs/dbraw/zinc/82/68/45/1426826845.db2.gz IOLSTFHWCQGNAC-GOSISDBHSA-N 1 0 383.448 3.340 20 5 GGBDRO COc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000173714110 1426829384 /nfs/dbraw/zinc/82/93/84/1426829384.db2.gz CGEVTKRYUGIEHQ-SFHVURJKSA-N 1 0 383.448 3.340 20 5 GGBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000173783922 1426850135 /nfs/dbraw/zinc/85/01/35/1426850135.db2.gz PWAOPFNIUPXZAG-GOSISDBHSA-N 1 0 396.491 3.303 20 5 GGBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000173783939 1426850327 /nfs/dbraw/zinc/85/03/27/1426850327.db2.gz PWAOPFNIUPXZAG-SFHVURJKSA-N 1 0 396.491 3.303 20 5 GGBDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000173899574 1426885025 /nfs/dbraw/zinc/88/50/25/1426885025.db2.gz MAIPCPNCXFTMMN-PZJWPPBQSA-N 1 0 385.464 3.238 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173978208 1426922698 /nfs/dbraw/zinc/92/26/98/1426922698.db2.gz QGLHBYGYHMYMBM-LJQANCHMSA-N 1 0 396.491 3.296 20 5 GGBDRO C[C@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000173994318 1426931573 /nfs/dbraw/zinc/93/15/73/1426931573.db2.gz ITLVULAOCOJFAE-SFHVURJKSA-N 1 0 396.491 3.154 20 5 GGBDRO C[C@@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000173995751 1426932793 /nfs/dbraw/zinc/93/27/93/1426932793.db2.gz KBEXPMUADMAJBJ-QGZVFWFLSA-N 1 0 382.464 3.130 20 5 GGBDRO Cc1cc(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)c(N)c([N+](=O)[O-])c1 ZINC000174075972 1426989573 /nfs/dbraw/zinc/98/95/73/1426989573.db2.gz RSLJKZSTKTYNLY-UHFFFAOYSA-N 1 0 381.436 3.254 20 5 GGBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000174151221 1427022447 /nfs/dbraw/zinc/02/24/47/1427022447.db2.gz GBDYLFUPXHBXMH-QGZVFWFLSA-N 1 0 377.488 3.097 20 5 GGBDRO CCc1ccc(C(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000174156186 1427024867 /nfs/dbraw/zinc/02/48/67/1427024867.db2.gz XAJFGWRMVOZJSZ-UHFFFAOYSA-N 1 0 396.491 3.331 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000174366007 1427122483 /nfs/dbraw/zinc/12/24/83/1427122483.db2.gz PJGOBNSODNMZJH-CABCVRRESA-N 1 0 379.420 3.458 20 5 GGBDRO CN(CC(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)c1ccccc1[N+](=O)[O-] ZINC000174371630 1427125600 /nfs/dbraw/zinc/12/56/00/1427125600.db2.gz JXKZSPJUKDRXKZ-UHFFFAOYSA-N 1 0 395.463 3.186 20 5 GGBDRO CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174403618 1427142307 /nfs/dbraw/zinc/14/23/07/1427142307.db2.gz RXWWSGCNTIEYOZ-GOSISDBHSA-N 1 0 397.475 3.415 20 5 GGBDRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)nc1 ZINC000174599160 1427250166 /nfs/dbraw/zinc/25/01/66/1427250166.db2.gz LFFMTLKZLXCERJ-MRXNPFEDSA-N 1 0 384.436 3.028 20 5 GGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H](O)COc3ccc(F)cc3)CC2)cc1 ZINC000174802200 1427376988 /nfs/dbraw/zinc/37/69/88/1427376988.db2.gz NXRKIULBQNOLOL-QGZVFWFLSA-N 1 0 390.411 3.017 20 5 GGBDRO Cc1cccc(OC[C@@H](O)C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000174802568 1427377325 /nfs/dbraw/zinc/37/73/25/1427377325.db2.gz AJXFPMGQCZOTJH-SFHVURJKSA-N 1 0 386.448 3.186 20 5 GGBDRO COc1ccc(C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)c2ccc(OC)cc2)cc1 ZINC000174816021 1427384203 /nfs/dbraw/zinc/38/42/03/1427384203.db2.gz UJVKYEKSOLQFLL-OAQYLSRUSA-N 1 0 396.447 3.382 20 5 GGBDRO COc1ccc(C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)c2ccc(OC)cc2)cc1 ZINC000174816010 1427384377 /nfs/dbraw/zinc/38/43/77/1427384377.db2.gz UJVKYEKSOLQFLL-NRFANRHFSA-N 1 0 396.447 3.382 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174931772 1427451104 /nfs/dbraw/zinc/45/11/04/1427451104.db2.gz UHEXRSCMMBMXRK-QGZVFWFLSA-N 1 0 383.448 3.198 20 5 GGBDRO COc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000174943652 1427458535 /nfs/dbraw/zinc/45/85/35/1427458535.db2.gz CNMKIZLPHDNOJZ-KRWDZBQOSA-N 1 0 383.448 3.198 20 5 GGBDRO CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000174946654 1427459747 /nfs/dbraw/zinc/45/97/47/1427459747.db2.gz KBHCTBMTYVRHBU-OAQYLSRUSA-N 1 0 396.491 3.154 20 5 GGBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174945818 1427460087 /nfs/dbraw/zinc/46/00/87/1427460087.db2.gz AHNKYZNXSGKNGQ-GOSISDBHSA-N 1 0 396.491 3.255 20 5 GGBDRO CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000174946673 1427461016 /nfs/dbraw/zinc/46/10/16/1427461016.db2.gz KBHCTBMTYVRHBU-NRFANRHFSA-N 1 0 396.491 3.154 20 5 GGBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000174955871 1427466037 /nfs/dbraw/zinc/46/60/37/1427466037.db2.gz ONRADJXWIKWTKL-CYBMUJFWSA-N 1 0 387.427 3.369 20 5 GGBDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000174997224 1427487129 /nfs/dbraw/zinc/48/71/29/1427487129.db2.gz CPKUQPBVHAHTAI-ORAYPTAESA-N 1 0 385.420 3.068 20 5 GGBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000175024209 1427505665 /nfs/dbraw/zinc/50/56/65/1427505665.db2.gz YFRDHCCXFAYRFS-UHFFFAOYSA-N 1 0 383.448 3.097 20 5 GGBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000175025423 1427506450 /nfs/dbraw/zinc/50/64/50/1427506450.db2.gz ZLXAGJMKMLZVDH-UHFFFAOYSA-N 1 0 382.464 3.130 20 5 GGBDRO C[N@@H+]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000175064344 1427527183 /nfs/dbraw/zinc/52/71/83/1427527183.db2.gz BVIPBDNHPIXWOQ-UHFFFAOYSA-N 1 0 380.876 3.137 20 5 GGBDRO C[NH+]1CCN(Cc2cccc(C(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000175149600 1427569196 /nfs/dbraw/zinc/56/91/96/1427569196.db2.gz JQHCIRMSKBERPN-UHFFFAOYSA-N 1 0 396.491 3.007 20 5 GGBDRO C[C@@H]1CCN(C(=O)NCc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000175172236 1427581116 /nfs/dbraw/zinc/58/11/16/1427581116.db2.gz KODJADVFATWSMB-QGZVFWFLSA-N 1 0 382.464 3.401 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000175280438 1427644841 /nfs/dbraw/zinc/64/48/41/1427644841.db2.gz MAURYLNLIXTFHA-UHFFFAOYSA-N 1 0 398.463 3.182 20 5 GGBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC2CC[NH+](CCC(C)C)CC2)cc1[N+](=O)[O-] ZINC000175282148 1427645653 /nfs/dbraw/zinc/64/56/53/1427645653.db2.gz FLXWEZQSSPJAEV-UHFFFAOYSA-N 1 0 392.456 3.299 20 5 GGBDRO Cc1c(NC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cccc1[N+](=O)[O-] ZINC000175303173 1427661719 /nfs/dbraw/zinc/66/17/19/1427661719.db2.gz UXGIPLJWKYDDAQ-UHFFFAOYSA-N 1 0 398.463 3.182 20 5 GGBDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000175302968 1427662151 /nfs/dbraw/zinc/66/21/51/1427662151.db2.gz VIZVJNMHSRPDFN-UHFFFAOYSA-N 1 0 390.465 3.059 20 5 GGBDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000175304936 1427664610 /nfs/dbraw/zinc/66/46/10/1427664610.db2.gz DZJUPQSLDJZCCP-UHFFFAOYSA-N 1 0 398.463 3.306 20 5 GGBDRO C[C@@H]1C[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000175354186 1427700774 /nfs/dbraw/zinc/70/07/74/1427700774.db2.gz KPHFTWGHBLIURW-VQIMIIECSA-N 1 0 382.464 3.447 20 5 GGBDRO COc1ccc(OCC[N@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)c([N+](=O)[O-])c1 ZINC000175411610 1427739784 /nfs/dbraw/zinc/73/97/84/1427739784.db2.gz OMKYZVHTTNKVRJ-LOKFHWFJSA-N 1 0 392.477 3.413 20 5 GGBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000175416495 1427742772 /nfs/dbraw/zinc/74/27/72/1427742772.db2.gz UDSAKIMECSGAIC-HNNXBMFYSA-N 1 0 389.402 3.467 20 5 GGBDRO C[C@H]1C[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000175426547 1427748119 /nfs/dbraw/zinc/74/81/19/1427748119.db2.gz OKMXMVMRXTVRHU-LPHOPBHVSA-N 1 0 382.464 3.447 20 5 GGBDRO C[C@@H]1C[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000175426489 1427748336 /nfs/dbraw/zinc/74/83/36/1427748336.db2.gz OKMXMVMRXTVRHU-VQIMIIECSA-N 1 0 382.464 3.447 20 5 GGBDRO C[C@@H]1C[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000175456740 1427765110 /nfs/dbraw/zinc/76/51/10/1427765110.db2.gz WELHPSFXMHGVGF-APWZRJJASA-N 1 0 382.464 3.447 20 5 GGBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cnn(-c2ccccc2)c1 ZINC000175510550 1427798110 /nfs/dbraw/zinc/79/81/10/1427798110.db2.gz OLKMBVOBASTTHC-UHFFFAOYSA-N 1 0 379.420 3.241 20 5 GGBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000175652428 1427845468 /nfs/dbraw/zinc/84/54/68/1427845468.db2.gz IAOBHARQVMOFKP-UHFFFAOYSA-N 1 0 399.476 3.046 20 5 GGBDRO CN(CC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000175700924 1427863468 /nfs/dbraw/zinc/86/34/68/1427863468.db2.gz WGXIEEKSRODESY-UHFFFAOYSA-N 1 0 396.491 3.154 20 5 GGBDRO C[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)(C)C[NH+](C)C ZINC000175799100 1427897029 /nfs/dbraw/zinc/89/70/29/1427897029.db2.gz GCTCXJNUPPAUKQ-LBPRGKRZSA-N 1 0 376.482 3.424 20 5 GGBDRO C[NH+]1CCN(Cc2cccc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])c2)CC1 ZINC000175803692 1427898637 /nfs/dbraw/zinc/89/86/37/1427898637.db2.gz LSPFZWUSFPCFIM-UHFFFAOYSA-N 1 0 388.855 3.248 20 5 GGBDRO C[N@@H+]1CCCN(c2ccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000175933368 1427981808 /nfs/dbraw/zinc/98/18/08/1427981808.db2.gz CTSIMGMDOIRRDF-UHFFFAOYSA-N 1 0 382.464 3.308 20 5 GGBDRO C[C@@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000175977042 1428009050 /nfs/dbraw/zinc/00/90/50/1428009050.db2.gz LYYMGQDFKDOYLL-QGZVFWFLSA-N 1 0 382.464 3.401 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)NCC[NH+]3CCCC3)cc2[N+](=O)[O-])n1 ZINC000176007138 1428024076 /nfs/dbraw/zinc/02/40/76/1428024076.db2.gz CRDAWHJUBZDXHB-UHFFFAOYSA-N 1 0 392.506 3.337 20 5 GGBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000176014428 1428027368 /nfs/dbraw/zinc/02/73/68/1428027368.db2.gz XIPFDNVOBPWZIC-UHFFFAOYSA-N 1 0 382.464 3.401 20 5 GGBDRO C[C@H]1C[NH+](CC2CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000176060755 1428059052 /nfs/dbraw/zinc/05/90/52/1428059052.db2.gz PEKKWHPAELXIQE-KBPBESRZSA-N 1 0 395.887 3.210 20 5 GGBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000176125033 1428098248 /nfs/dbraw/zinc/09/82/48/1428098248.db2.gz MHOGTLWMAFJWFR-UHFFFAOYSA-N 1 0 398.419 3.240 20 5 GGBDRO C[C@H]1C[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000176136481 1428109936 /nfs/dbraw/zinc/10/99/36/1428109936.db2.gz MFIBIESFJBOQHQ-WMZOPIPTSA-N 1 0 383.448 3.143 20 5 GGBDRO C[NH+](C)CCOc1ccc(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1 ZINC000176156242 1428124845 /nfs/dbraw/zinc/12/48/45/1428124845.db2.gz PBNOXFUUAMTYKH-UHFFFAOYSA-N 1 0 377.828 3.119 20 5 GGBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)n1 ZINC000176210888 1428169618 /nfs/dbraw/zinc/16/96/18/1428169618.db2.gz NSNQAAPMSDYHMY-UHFFFAOYSA-N 1 0 375.816 3.466 20 5 GGBDRO Cc1cc(F)cc(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000176224246 1428177021 /nfs/dbraw/zinc/17/70/21/1428177021.db2.gz MSKAOPPPEGDOOQ-KRWDZBQOSA-N 1 0 385.439 3.337 20 5 GGBDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176249238 1428194613 /nfs/dbraw/zinc/19/46/13/1428194613.db2.gz SFZTWMUERUQDBK-UHFFFAOYSA-N 1 0 376.844 3.034 20 5 GGBDRO COc1cc(C[N@H+](C)CCC2CCOCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180186384 1429791011 /nfs/dbraw/zinc/79/10/11/1429791011.db2.gz DMEWUGANVFJUJB-UHFFFAOYSA-N 1 0 388.411 3.496 20 5 GGBDRO CC[N@H+](C)C[C@@H]1CCN(Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000180225118 1429807297 /nfs/dbraw/zinc/80/72/97/1429807297.db2.gz PKAQDGYNGJJLOO-ZDUSSCGKSA-N 1 0 387.427 3.021 20 5 GGBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180227826 1429808200 /nfs/dbraw/zinc/80/82/00/1429808200.db2.gz IMWWJVIWRFZIRP-UHFFFAOYSA-N 1 0 393.447 3.046 20 5 GGBDRO CCc1ccc(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000180301367 1429829806 /nfs/dbraw/zinc/82/98/06/1429829806.db2.gz LJTAPDGSGJSIKW-UHFFFAOYSA-N 1 0 389.496 3.122 20 5 GGBDRO C[C@@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000180311245 1429833087 /nfs/dbraw/zinc/83/30/87/1429833087.db2.gz FEWRGKDNAYGBTH-OAHLLOKOSA-N 1 0 383.452 3.267 20 5 GGBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](CCc2ccccc2)c2ccccc2)c1 ZINC000180390745 1429854179 /nfs/dbraw/zinc/85/41/79/1429854179.db2.gz YFDWVLWMYPCTKC-RTWAWAEBSA-N 1 0 380.448 3.116 20 5 GGBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](CCc2ccccc2)c2ccccc2)c1 ZINC000180390708 1429854339 /nfs/dbraw/zinc/85/43/39/1429854339.db2.gz YFDWVLWMYPCTKC-SFTDATJTSA-N 1 0 380.448 3.116 20 5 GGBDRO C[C@@H]([NH2+]CC(=O)Nc1cccc(N2CCCC2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000180392110 1429854556 /nfs/dbraw/zinc/85/45/56/1429854556.db2.gz YZHYLVHJVHHHIR-CQSZACIVSA-N 1 0 382.420 3.011 20 5 GGBDRO C[C@@H](N[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000180399271 1429856900 /nfs/dbraw/zinc/85/69/00/1429856900.db2.gz KRCHYAGLCQXYFI-FUHIMQAGSA-N 1 0 396.491 3.025 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C(C)(C)CN(C)Cc1ccccc1 ZINC000180419233 1429863927 /nfs/dbraw/zinc/86/39/27/1429863927.db2.gz OWNWXSKHHBUTIO-UHFFFAOYSA-N 1 0 384.480 3.342 20 5 GGBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180420331 1429864275 /nfs/dbraw/zinc/86/42/75/1429864275.db2.gz GTHDYLAMUKTBIH-OAHLLOKOSA-N 1 0 396.447 3.401 20 5 GGBDRO COc1ccc(OC)c([C@H](C)NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180427511 1429866766 /nfs/dbraw/zinc/86/67/66/1429866766.db2.gz GXTMGVPHLXGFJC-KBPBESRZSA-N 1 0 387.436 3.140 20 5 GGBDRO CC(C)CNC(=O)c1ccccc1NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180432465 1429868121 /nfs/dbraw/zinc/86/81/21/1429868121.db2.gz LPMGWCPYBAEATH-OAHLLOKOSA-N 1 0 398.463 3.270 20 5 GGBDRO COc1ccc(CN(C(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000180442510 1429870179 /nfs/dbraw/zinc/87/01/79/1429870179.db2.gz ICBORFMHPWJXPS-HNNXBMFYSA-N 1 0 383.448 3.445 20 5 GGBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000180447260 1429871270 /nfs/dbraw/zinc/87/12/70/1429871270.db2.gz RCZLGDINMGHGIT-GFCCVEGCSA-N 1 0 388.380 3.191 20 5 GGBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000180447245 1429871380 /nfs/dbraw/zinc/87/13/80/1429871380.db2.gz RCZLGDINMGHGIT-LBPRGKRZSA-N 1 0 388.380 3.191 20 5 GGBDRO COc1ccc(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC000180448936 1429871824 /nfs/dbraw/zinc/87/18/24/1429871824.db2.gz KKAOJDYCZGYGHB-UHFFFAOYSA-N 1 0 398.463 3.377 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180457736 1429874092 /nfs/dbraw/zinc/87/40/92/1429874092.db2.gz GAIPTNBVLODGRU-LBPRGKRZSA-N 1 0 388.380 3.191 20 5 GGBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2cc(F)c(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000180495381 1429882507 /nfs/dbraw/zinc/88/25/07/1429882507.db2.gz IGMNPXTXNZUODF-UHFFFAOYSA-N 1 0 397.353 3.481 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1c1c(C)n[nH]c1C ZINC000180502074 1429883987 /nfs/dbraw/zinc/88/39/87/1429883987.db2.gz KOLWZBQAFPYPJF-INIZCTEOSA-N 1 0 387.440 3.109 20 5 GGBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000180508104 1429885474 /nfs/dbraw/zinc/88/54/74/1429885474.db2.gz IRVWRUFULVPZLM-ZDUSSCGKSA-N 1 0 385.411 3.438 20 5 GGBDRO COc1cc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000180531299 1429891413 /nfs/dbraw/zinc/89/14/13/1429891413.db2.gz REXRAIRGCUFBEF-FZMZJTMJSA-N 1 0 392.374 3.137 20 5 GGBDRO Cc1c(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cccc1[N+](=O)[O-] ZINC000180533056 1429892064 /nfs/dbraw/zinc/89/20/64/1429892064.db2.gz AEJCMLWHRJGFLE-CQSZACIVSA-N 1 0 377.466 3.004 20 5 GGBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000180604491 1429928352 /nfs/dbraw/zinc/92/83/52/1429928352.db2.gz PTWVYFLHWRAOAX-UHFFFAOYSA-N 1 0 388.855 3.225 20 5 GGBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000180622124 1429937635 /nfs/dbraw/zinc/93/76/35/1429937635.db2.gz QQQATKPZGYKNGM-SUMWQHHRSA-N 1 0 385.420 3.434 20 5 GGBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000180622161 1429937655 /nfs/dbraw/zinc/93/76/55/1429937655.db2.gz QQQATKPZGYKNGM-CXAGYDPISA-N 1 0 385.420 3.434 20 5 GGBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000180622107 1429938045 /nfs/dbraw/zinc/93/80/45/1429938045.db2.gz QQQATKPZGYKNGM-GUYCJALGSA-N 1 0 385.420 3.434 20 5 GGBDRO CC[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc2c(c1)OCCO2 ZINC000180641115 1429949000 /nfs/dbraw/zinc/94/90/00/1429949000.db2.gz DQJCRCOSACVLLZ-QZTJIDSGSA-N 1 0 397.431 3.212 20 5 GGBDRO CC[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc2c(c1)OCCO2 ZINC000180641150 1429949060 /nfs/dbraw/zinc/94/90/60/1429949060.db2.gz DQJCRCOSACVLLZ-MSOLQXFVSA-N 1 0 397.431 3.212 20 5 GGBDRO COC(=O)[C@@H](O)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000180670133 1429966147 /nfs/dbraw/zinc/96/61/47/1429966147.db2.gz GMDPPQUISYPZIE-SFHVURJKSA-N 1 0 390.461 3.069 20 5 GGBDRO O=C1[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000180764236 1430025710 /nfs/dbraw/zinc/02/57/10/1430025710.db2.gz HSKAAHFUKWGRBW-VHDGCEQUSA-N 1 0 385.386 3.059 20 5 GGBDRO C[NH+](C)CC1CCN(c2ccc(NC(=O)c3c(N)cccc3[N+](=O)[O-])cc2)CC1 ZINC000180799945 1430048512 /nfs/dbraw/zinc/04/85/12/1430048512.db2.gz PGLLNGPFTZPXSV-UHFFFAOYSA-N 1 0 397.479 3.207 20 5 GGBDRO COc1cc(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000180850558 1430069564 /nfs/dbraw/zinc/06/95/64/1430069564.db2.gz FWJSPOOFNWWFMJ-DOTOQJQBSA-N 1 0 386.448 3.385 20 5 GGBDRO CC(C)([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(F)c(F)c1 ZINC000180856718 1430072088 /nfs/dbraw/zinc/07/20/88/1430072088.db2.gz ZEBJBHQNFKZWOG-UHFFFAOYSA-N 1 0 393.346 3.065 20 5 GGBDRO COc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000180913400 1430108870 /nfs/dbraw/zinc/10/88/70/1430108870.db2.gz PJAWKOGFCFHSGS-DNVCBOLYSA-N 1 0 383.448 3.364 20 5 GGBDRO CC[C@@H]([NH2+][C@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000180923293 1430117584 /nfs/dbraw/zinc/11/75/84/1430117584.db2.gz DUDLMELTQZDSJO-UXHICEINSA-N 1 0 383.448 3.445 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180933284 1430122030 /nfs/dbraw/zinc/12/20/30/1430122030.db2.gz SAJSITUVZVLSEN-HNNXBMFYSA-N 1 0 382.464 3.481 20 5 GGBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180933140 1430122273 /nfs/dbraw/zinc/12/22/73/1430122273.db2.gz KKUBTDKZSIZOQW-HNNXBMFYSA-N 1 0 382.464 3.339 20 5 GGBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000180944047 1430128185 /nfs/dbraw/zinc/12/81/85/1430128185.db2.gz NXDDVYWPLRDIQO-LBPRGKRZSA-N 1 0 385.342 3.048 20 5 GGBDRO Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)cc1[N+](=O)[O-] ZINC000180947896 1430130141 /nfs/dbraw/zinc/13/01/41/1430130141.db2.gz IVXWTAGAGZZSEX-INIZCTEOSA-N 1 0 387.461 3.077 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000180951272 1430131338 /nfs/dbraw/zinc/13/13/38/1430131338.db2.gz UOSQOIFLUMEUEK-KRWDZBQOSA-N 1 0 387.461 3.077 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3COC4(CCOCC4)O3)s2)cc1 ZINC000181074125 1430198530 /nfs/dbraw/zinc/19/85/30/1430198530.db2.gz VIDMILSXKOVVGM-MRXNPFEDSA-N 1 0 390.461 3.335 20 5 GGBDRO CC(=O)c1ccc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000181135667 1430222270 /nfs/dbraw/zinc/22/22/70/1430222270.db2.gz SCSSPXGIORLYLY-IBGZPJMESA-N 1 0 383.448 3.366 20 5 GGBDRO O=C1COc2ccccc2N1CCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000181150811 1430228409 /nfs/dbraw/zinc/22/84/09/1430228409.db2.gz KNPWMVWYQGUOPJ-SFHVURJKSA-N 1 0 395.459 3.321 20 5 GGBDRO O=C(C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000181209636 1430248381 /nfs/dbraw/zinc/24/83/81/1430248381.db2.gz ZIFNTVYQWXTHMU-JXFKEZNVSA-N 1 0 395.459 3.241 20 5 GGBDRO O=C(C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000181209655 1430248393 /nfs/dbraw/zinc/24/83/93/1430248393.db2.gz ZIFNTVYQWXTHMU-OXQOHEQNSA-N 1 0 395.459 3.241 20 5 GGBDRO O=C(C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000181209676 1430248414 /nfs/dbraw/zinc/24/84/14/1430248414.db2.gz ZIFNTVYQWXTHMU-UZLBHIALSA-N 1 0 395.459 3.241 20 5 GGBDRO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3C)C2=O)c1 ZINC000181209179 1430248569 /nfs/dbraw/zinc/24/85/69/1430248569.db2.gz CQJJAUJJSYLCSR-LIRRHRJNSA-N 1 0 399.447 3.377 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000181210742 1430248687 /nfs/dbraw/zinc/24/86/87/1430248687.db2.gz WSGGLBGZDNEHNB-NBHGPNQESA-N 1 0 386.448 3.092 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000181210778 1430248966 /nfs/dbraw/zinc/24/89/66/1430248966.db2.gz WSGGLBGZDNEHNB-LKUPVBHCSA-N 1 0 386.448 3.092 20 5 GGBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000181215313 1430249424 /nfs/dbraw/zinc/24/94/24/1430249424.db2.gz RNJQSIKICKURPN-MJGOQNOKSA-N 1 0 394.475 3.304 20 5 GGBDRO Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000181221532 1430250828 /nfs/dbraw/zinc/25/08/28/1430250828.db2.gz DOPKCPQCEKSKHQ-UHFFFAOYSA-N 1 0 384.436 3.294 20 5 GGBDRO Cc1cc(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000181245220 1430255811 /nfs/dbraw/zinc/25/58/11/1430255811.db2.gz YHVHKJPHMUQIMZ-UHFFFAOYSA-N 1 0 397.479 3.259 20 5 GGBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCC3(C)CC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000181290883 1430264437 /nfs/dbraw/zinc/26/44/37/1430264437.db2.gz RORLQYHKVFTBGZ-HOTGVXAUSA-N 1 0 388.512 3.197 20 5 GGBDRO C[C@@H]1C[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@@H+]1Cc1ccccc1 ZINC000181305448 1430268726 /nfs/dbraw/zinc/26/87/26/1430268726.db2.gz QUDNLIZJDFYMBA-PBHICJAKSA-N 1 0 397.431 3.106 20 5 GGBDRO CCOc1ccc([C@H](C)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000181413283 1430292136 /nfs/dbraw/zinc/29/21/36/1430292136.db2.gz LXBWOEHWMBTYAU-CVAIRZPRSA-N 1 0 391.512 3.412 20 5 GGBDRO CCOc1ccc([C@@H](C)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000181413264 1430292169 /nfs/dbraw/zinc/29/21/69/1430292169.db2.gz LXBWOEHWMBTYAU-ZTNFWEORSA-N 1 0 391.512 3.412 20 5 GGBDRO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCCC2=O)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000181426566 1430296076 /nfs/dbraw/zinc/29/60/76/1430296076.db2.gz DWYDGFFTIBAHCU-HUUCEWRRSA-N 1 0 396.447 3.399 20 5 GGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181437836 1430298874 /nfs/dbraw/zinc/29/88/74/1430298874.db2.gz SILVPVYCMOFYLB-UHFFFAOYSA-N 1 0 385.420 3.047 20 5 GGBDRO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000181441170 1430299687 /nfs/dbraw/zinc/29/96/87/1430299687.db2.gz MJPSPDKSXHWXGD-GJZGRUSLSA-N 1 0 396.447 3.399 20 5 GGBDRO Cc1cc(NCc2cccnc2N2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181449197 1430301970 /nfs/dbraw/zinc/30/19/70/1430301970.db2.gz XCKYHRZOMWEDMG-UHFFFAOYSA-N 1 0 379.420 3.295 20 5 GGBDRO CCC[C@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000181499120 1430311066 /nfs/dbraw/zinc/31/10/66/1430311066.db2.gz BIHXBHNVIGDKHL-INIZCTEOSA-N 1 0 397.522 3.408 20 5 GGBDRO C[N@@H+](Cc1ccccc1N1CCCC1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181499363 1430311112 /nfs/dbraw/zinc/31/11/12/1430311112.db2.gz UDUAYRIXNBEXSQ-SFHVURJKSA-N 1 0 385.464 3.067 20 5 GGBDRO CC(C)[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(C(F)(F)F)cc1 ZINC000181511297 1430313116 /nfs/dbraw/zinc/31/31/16/1430313116.db2.gz QKZRXNVYQWHPKO-JKSUJKDBSA-N 1 0 386.374 3.158 20 5 GGBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccccc1 ZINC000181517642 1430314062 /nfs/dbraw/zinc/31/40/62/1430314062.db2.gz AXGVDJAKXMYGEL-CYBMUJFWSA-N 1 0 385.420 3.183 20 5 GGBDRO CC[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000181546732 1430318336 /nfs/dbraw/zinc/31/83/36/1430318336.db2.gz GPEWDCBOAIFAFR-SFHVURJKSA-N 1 0 377.466 3.086 20 5 GGBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(OCC2CC2)c(F)c1 ZINC000181570584 1430321998 /nfs/dbraw/zinc/32/19/98/1430321998.db2.gz ZVRABRCKIHNLKS-ZDUSSCGKSA-N 1 0 375.400 3.035 20 5 GGBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](c2nc(C)cs2)C2CC2)c([N+](=O)[O-])c1 ZINC000181615472 1430328379 /nfs/dbraw/zinc/32/83/79/1430328379.db2.gz FGMKEXZFDYJSII-QGZVFWFLSA-N 1 0 390.465 3.438 20 5 GGBDRO C[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181634151 1430331539 /nfs/dbraw/zinc/33/15/39/1430331539.db2.gz KBDMEZOUWSKBBN-JKSUJKDBSA-N 1 0 397.479 3.163 20 5 GGBDRO C[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181634169 1430331573 /nfs/dbraw/zinc/33/15/73/1430331573.db2.gz KBDMEZOUWSKBBN-HZPDHXFCSA-N 1 0 397.479 3.163 20 5 GGBDRO C[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181633967 1430331664 /nfs/dbraw/zinc/33/16/64/1430331664.db2.gz BLOGQIMDTJNTIK-HZPDHXFCSA-N 1 0 397.479 3.163 20 5 GGBDRO C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181653748 1430335736 /nfs/dbraw/zinc/33/57/36/1430335736.db2.gz WHDMYCGIFAXGNK-HUUCEWRRSA-N 1 0 377.510 3.456 20 5 GGBDRO C[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181654985 1430335973 /nfs/dbraw/zinc/33/59/73/1430335973.db2.gz DTWZJWCXVUPQSE-JKSUJKDBSA-N 1 0 397.479 3.163 20 5 GGBDRO C[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181670944 1430338931 /nfs/dbraw/zinc/33/89/31/1430338931.db2.gz MLTZHFALBYQXAU-HOTGVXAUSA-N 1 0 397.479 3.163 20 5 GGBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000181683376 1430341203 /nfs/dbraw/zinc/34/12/03/1430341203.db2.gz AUFRNWJBEZQIBE-MRXNPFEDSA-N 1 0 395.525 3.062 20 5 GGBDRO C[N@@H+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C2(CCCCC2)C1 ZINC000181734623 1430350069 /nfs/dbraw/zinc/35/00/69/1430350069.db2.gz NIMMGBNEFUUHAI-UHFFFAOYSA-N 1 0 378.448 3.013 20 5 GGBDRO C[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(C)(C)c1ccccc1 ZINC000181769794 1430356082 /nfs/dbraw/zinc/35/60/82/1430356082.db2.gz FTZKWMSZSPEXJM-CYBMUJFWSA-N 1 0 385.420 3.218 20 5 GGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000181808470 1430364797 /nfs/dbraw/zinc/36/47/97/1430364797.db2.gz BIQGQYPTMZJWED-MSOLQXFVSA-N 1 0 396.491 3.197 20 5 GGBDRO COC(=O)c1ccccc1N(C)C(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181817850 1430366516 /nfs/dbraw/zinc/36/65/16/1430366516.db2.gz DTEWKAICCMRGSU-CQSZACIVSA-N 1 0 385.420 3.003 20 5 GGBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Oc2ccccc2)cc1 ZINC000181818235 1430366528 /nfs/dbraw/zinc/36/65/28/1430366528.db2.gz KJJXLIRRYYDRII-MAUKXSAKSA-N 1 0 382.420 3.295 20 5 GGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccnn2Cc2cccs2)cc1[N+](=O)[O-] ZINC000181817904 1430366540 /nfs/dbraw/zinc/36/65/40/1430366540.db2.gz GPEVHGYVWQVMAO-CQSZACIVSA-N 1 0 399.476 3.499 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccnn2Cc2cccs2)cc1[N+](=O)[O-] ZINC000181817928 1430366577 /nfs/dbraw/zinc/36/65/77/1430366577.db2.gz GPEVHGYVWQVMAO-AWEZNQCLSA-N 1 0 399.476 3.499 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181819877 1430366784 /nfs/dbraw/zinc/36/67/84/1430366784.db2.gz SLKURSWAPBHJEW-GFCCVEGCSA-N 1 0 388.380 3.109 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCCCOC2CCCCC2)cc1[N+](=O)[O-] ZINC000181819238 1430366797 /nfs/dbraw/zinc/36/67/97/1430366797.db2.gz OCIIULAQJXQERQ-INIZCTEOSA-N 1 0 377.485 3.409 20 5 GGBDRO CC[NH+](CC)CCCC1CCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000181830308 1430368901 /nfs/dbraw/zinc/36/89/01/1430368901.db2.gz ZOHBPDURMGYSLS-UHFFFAOYSA-N 1 0 376.501 3.293 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+]CCOc2cccc(S(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000181837409 1430369875 /nfs/dbraw/zinc/36/98/75/1430369875.db2.gz CZIRPCIXHPSBFQ-AWEZNQCLSA-N 1 0 378.450 3.036 20 5 GGBDRO COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000181838549 1430370349 /nfs/dbraw/zinc/37/03/49/1430370349.db2.gz SQEHNRCXPPOLAX-AWEZNQCLSA-N 1 0 385.420 3.288 20 5 GGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1[N+](=O)[O-] ZINC000181843316 1430370825 /nfs/dbraw/zinc/37/08/25/1430370825.db2.gz SFNVJZOPYIOFKF-CQSZACIVSA-N 1 0 396.447 3.085 20 5 GGBDRO CCOC(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181842863 1430371038 /nfs/dbraw/zinc/37/10/38/1430371038.db2.gz KOXBXPODTDSOPI-CQSZACIVSA-N 1 0 385.420 3.369 20 5 GGBDRO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccc(N2CCCC2)c1 ZINC000181862412 1430373525 /nfs/dbraw/zinc/37/35/25/1430373525.db2.gz ORNWVVZHRRNMHO-INIZCTEOSA-N 1 0 394.475 3.435 20 5 GGBDRO Cc1ccc([C@H]2CSCC[N@@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000181890996 1430378571 /nfs/dbraw/zinc/37/85/71/1430378571.db2.gz IRSPJLDXGNEJQX-PKOBYXMFSA-N 1 0 388.489 3.433 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000181925103 1430384482 /nfs/dbraw/zinc/38/44/82/1430384482.db2.gz UGLUEVAZAAFCSO-SJORKVTESA-N 1 0 388.489 3.449 20 5 GGBDRO CN(C)C(=O)[C@H]1CC[C@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)O1 ZINC000182036703 1430399716 /nfs/dbraw/zinc/39/97/16/1430399716.db2.gz HXIJLKJCAXXCRK-CXAGYDPISA-N 1 0 389.477 3.049 20 5 GGBDRO CN(C)C(=O)[C@H]1CC[C@@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)O1 ZINC000182036743 1430399876 /nfs/dbraw/zinc/39/98/76/1430399876.db2.gz HXIJLKJCAXXCRK-SUMWQHHRSA-N 1 0 389.477 3.049 20 5 GGBDRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)O1 ZINC000182039673 1430400102 /nfs/dbraw/zinc/40/01/02/1430400102.db2.gz DODGLSAFPJVNJN-WBVHZDCISA-N 1 0 389.477 3.049 20 5 GGBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000182065426 1430404690 /nfs/dbraw/zinc/40/46/90/1430404690.db2.gz XCORFPYEGCVWRL-MRXNPFEDSA-N 1 0 393.447 3.031 20 5 GGBDRO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000182071800 1430405993 /nfs/dbraw/zinc/40/59/93/1430405993.db2.gz CMYBXMVMDKQAGV-CYBMUJFWSA-N 1 0 383.395 3.287 20 5 GGBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000182096135 1430411051 /nfs/dbraw/zinc/41/10/51/1430411051.db2.gz BOWMNHCICQDENW-MRXNPFEDSA-N 1 0 393.447 3.031 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000182108079 1430413194 /nfs/dbraw/zinc/41/31/94/1430413194.db2.gz JZKBCBFXILZMGU-OAHLLOKOSA-N 1 0 397.431 3.060 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000182160104 1430422237 /nfs/dbraw/zinc/42/22/37/1430422237.db2.gz LLTNGWOBWJEGTF-MRXNPFEDSA-N 1 0 396.447 3.090 20 5 GGBDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1 ZINC000182178202 1430425104 /nfs/dbraw/zinc/42/51/04/1430425104.db2.gz PBSWMZZSUPDADK-GOSISDBHSA-N 1 0 378.450 3.118 20 5 GGBDRO COc1ccc([C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000182197529 1430428421 /nfs/dbraw/zinc/42/84/21/1430428421.db2.gz MXROVYRVRQBHFS-IBGZPJMESA-N 1 0 392.477 3.364 20 5 GGBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000182204746 1430429466 /nfs/dbraw/zinc/42/94/66/1430429466.db2.gz WGPHQMPIXIZMLD-OCCSQVGLSA-N 1 0 382.363 3.287 20 5 GGBDRO CCc1nc2c(s1)[C@H]([N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC000182205938 1430429939 /nfs/dbraw/zinc/42/99/39/1430429939.db2.gz VGMINFQVEUJBMY-XJKSGUPXSA-N 1 0 391.493 3.363 20 5 GGBDRO C[C@H](CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[NH+]1CCCCC1 ZINC000182226468 1430433036 /nfs/dbraw/zinc/43/30/36/1430433036.db2.gz ZREULJRLWYPMCH-QGZVFWFLSA-N 1 0 388.512 3.192 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000182240469 1430435290 /nfs/dbraw/zinc/43/52/90/1430435290.db2.gz UNZSRMYIEGTGEX-CABCVRRESA-N 1 0 392.839 3.141 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000182240489 1430435344 /nfs/dbraw/zinc/43/53/44/1430435344.db2.gz UNZSRMYIEGTGEX-GJZGRUSLSA-N 1 0 392.839 3.141 20 5 GGBDRO C[C@@H]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@@H+]1Cc1ccccc1 ZINC000182242695 1430435934 /nfs/dbraw/zinc/43/59/34/1430435934.db2.gz UUCPBXKOKOCQBY-OAHLLOKOSA-N 1 0 397.431 3.060 20 5 GGBDRO O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000182293881 1430444060 /nfs/dbraw/zinc/44/40/60/1430444060.db2.gz NJHLSGVCOHFYMP-UHFFFAOYSA-N 1 0 383.448 3.042 20 5 GGBDRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000182381176 1430456035 /nfs/dbraw/zinc/45/60/35/1430456035.db2.gz ULAWAVYSTSOKIY-UHFFFAOYSA-N 1 0 383.514 3.118 20 5 GGBDRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000182381152 1430456239 /nfs/dbraw/zinc/45/62/39/1430456239.db2.gz PDULZLQFTQLMMC-UHFFFAOYSA-N 1 0 383.514 3.118 20 5 GGBDRO CCOc1cccc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000182405829 1430461888 /nfs/dbraw/zinc/46/18/88/1430461888.db2.gz LSQHQBCSSHJLAC-AWEZNQCLSA-N 1 0 378.450 3.118 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000182435431 1430467212 /nfs/dbraw/zinc/46/72/12/1430467212.db2.gz OBOVPRZDCCMZHJ-CQSZACIVSA-N 1 0 378.375 3.282 20 5 GGBDRO CC(C)([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000182439180 1430468039 /nfs/dbraw/zinc/46/80/39/1430468039.db2.gz PBTCFSQUZSSGFH-UHFFFAOYSA-N 1 0 384.404 3.172 20 5 GGBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000182507978 1430479933 /nfs/dbraw/zinc/47/99/33/1430479933.db2.gz MPHZNIIFDOPGAG-JTQLQIEISA-N 1 0 383.326 3.443 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182548803 1430488929 /nfs/dbraw/zinc/48/89/29/1430488929.db2.gz VPTNIECTCSTTMJ-HUUCEWRRSA-N 1 0 390.484 3.056 20 5 GGBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCCC2)c1 ZINC000182562498 1430492729 /nfs/dbraw/zinc/49/27/29/1430492729.db2.gz AGLBHMKUPGUNQP-ZWKOTPCHSA-N 1 0 378.860 3.327 20 5 GGBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000182579291 1430496853 /nfs/dbraw/zinc/49/68/53/1430496853.db2.gz OIGZGTCNIVGZMH-CYBMUJFWSA-N 1 0 385.411 3.294 20 5 GGBDRO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000182582083 1430497171 /nfs/dbraw/zinc/49/71/71/1430497171.db2.gz ZKQKWCLKWVBTPF-BLLLJJGKSA-N 1 0 395.406 3.285 20 5 GGBDRO C[C@H](C(=O)NCC1([NH+]2CCSCC2)CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000182666592 1430513291 /nfs/dbraw/zinc/51/32/91/1430513291.db2.gz MUCUMCNZYSODBT-AWEZNQCLSA-N 1 0 395.500 3.315 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182867446 1430557287 /nfs/dbraw/zinc/55/72/87/1430557287.db2.gz WTBNVXYQYYXQHA-KGLIPLIRSA-N 1 0 376.457 3.378 20 5 GGBDRO Cc1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000182876096 1430559484 /nfs/dbraw/zinc/55/94/84/1430559484.db2.gz OIKVGFFNAJWQSA-IBGZPJMESA-N 1 0 398.463 3.182 20 5 GGBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1C ZINC000183032265 1430597118 /nfs/dbraw/zinc/59/71/18/1430597118.db2.gz FKETYPYFJGMIMR-HZPDHXFCSA-N 1 0 395.525 3.143 20 5 GGBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183034572 1430597336 /nfs/dbraw/zinc/59/73/36/1430597336.db2.gz CTOLNYVIZPPXEG-HZPDHXFCSA-N 1 0 395.525 3.143 20 5 GGBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183033461 1430597446 /nfs/dbraw/zinc/59/74/46/1430597446.db2.gz SPUXYZIGWOFTBO-GOEBONIOSA-N 1 0 395.525 3.089 20 5 GGBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183034590 1430597459 /nfs/dbraw/zinc/59/74/59/1430597459.db2.gz CTOLNYVIZPPXEG-HOTGVXAUSA-N 1 0 395.525 3.143 20 5 GGBDRO CC[NH+](CC)Cc1cccc(NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000183073107 1430606405 /nfs/dbraw/zinc/60/64/05/1430606405.db2.gz BXCLYYDORXXYHK-UHFFFAOYSA-N 1 0 398.463 3.114 20 5 GGBDRO Cn1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C2CCCCC2)n1 ZINC000183087365 1430609864 /nfs/dbraw/zinc/60/98/64/1430609864.db2.gz TZZPHVPRLRPBHW-QGZVFWFLSA-N 1 0 384.484 3.457 20 5 GGBDRO COC(=O)C1(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000183235482 1430656040 /nfs/dbraw/zinc/65/60/40/1430656040.db2.gz FRILGRYJJMHYEU-UHFFFAOYSA-N 1 0 386.452 3.208 20 5 GGBDRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(O)c1)c1ccc([N+](=O)[O-])cc1F ZINC000183319061 1430678159 /nfs/dbraw/zinc/67/81/59/1430678159.db2.gz QIFFUACWGVXCRX-AWEZNQCLSA-N 1 0 389.427 3.133 20 5 GGBDRO Cc1ccc([C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)N2CCOCC2)o1 ZINC000183411232 1430704362 /nfs/dbraw/zinc/70/43/62/1430704362.db2.gz GYSNCOZWBZJXBX-QGZVFWFLSA-N 1 0 379.844 3.313 20 5 GGBDRO O=C(Nc1ccncc1[N+](=O)[O-])NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000183547520 1430739603 /nfs/dbraw/zinc/73/96/03/1430739603.db2.gz FIAXJNSNLUDIPZ-UHFFFAOYSA-N 1 0 389.843 3.429 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000183583537 1430747009 /nfs/dbraw/zinc/74/70/09/1430747009.db2.gz SVAFGJKFTPVHLF-HNNXBMFYSA-N 1 0 379.420 3.378 20 5 GGBDRO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccc(-n2cccn2)c1 ZINC000183584047 1430747482 /nfs/dbraw/zinc/74/74/82/1430747482.db2.gz VHBCBNIBAOPMCV-HNNXBMFYSA-N 1 0 391.431 3.020 20 5 GGBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183597687 1430750645 /nfs/dbraw/zinc/75/06/45/1430750645.db2.gz XYABREJQUHDRRF-HUUCEWRRSA-N 1 0 383.452 3.268 20 5 GGBDRO COc1ccc([C@@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])[NH+]2CCCCC2)cc1 ZINC000183600666 1430751815 /nfs/dbraw/zinc/75/18/15/1430751815.db2.gz QDTCNHMPXUKGOL-GOSISDBHSA-N 1 0 399.451 3.347 20 5 GGBDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000183665020 1430766721 /nfs/dbraw/zinc/76/67/21/1430766721.db2.gz MTZJTKPWOZSYIM-ZWKOTPCHSA-N 1 0 376.428 3.331 20 5 GGBDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000183665037 1430766921 /nfs/dbraw/zinc/76/69/21/1430766921.db2.gz MTZJTKPWOZSYIM-ROUUACIJSA-N 1 0 376.428 3.331 20 5 GGBDRO CN(C(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000183670465 1430768059 /nfs/dbraw/zinc/76/80/59/1430768059.db2.gz JSXXWYIAXQPPOR-PMACEKPBSA-N 1 0 388.512 3.004 20 5 GGBDRO C[NH+](C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)c1cccc(C(F)(F)F)c1 ZINC000183897999 1430810409 /nfs/dbraw/zinc/81/04/09/1430810409.db2.gz HOSBIBWTBOFPTD-HNNXBMFYSA-N 1 0 396.369 3.229 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@@H](C)c1nccs1 ZINC000183975656 1430821412 /nfs/dbraw/zinc/82/14/12/1430821412.db2.gz BHLXZILBPWJHBG-GFCCVEGCSA-N 1 0 378.454 3.124 20 5 GGBDRO CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184182189 1430852074 /nfs/dbraw/zinc/85/20/74/1430852074.db2.gz AZLLHPPRAPJZKJ-KRWDZBQOSA-N 1 0 393.447 3.208 20 5 GGBDRO COc1cc(CN2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c([N+](=O)[O-])cc1F ZINC000184195922 1430854544 /nfs/dbraw/zinc/85/45/44/1430854544.db2.gz UNZPRUQFZAHBFD-HUUCEWRRSA-N 1 0 395.475 3.064 20 5 GGBDRO CN1CC[NH+](CCC(C)(C)NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000184218844 1430858084 /nfs/dbraw/zinc/85/80/84/1430858084.db2.gz ALMVGGRLJYYSBX-UHFFFAOYSA-N 1 0 390.528 3.038 20 5 GGBDRO COc1cc(C[NH2+][C@H](C)C[S@@](C)=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000184264813 1430864736 /nfs/dbraw/zinc/86/47/36/1430864736.db2.gz DTUZXPREBANSIR-LOKFHWFJSA-N 1 0 392.477 3.039 20 5 GGBDRO COc1cc(C[NH2+][C@@H](C)C[S@@](C)=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000184264796 1430864747 /nfs/dbraw/zinc/86/47/47/1430864747.db2.gz DTUZXPREBANSIR-PGGUUEOZSA-N 1 0 392.477 3.039 20 5 GGBDRO CC[NH+]1CCN(c2cccc(NC(=O)CCOc3ccccc3[N+](=O)[O-])c2)CC1 ZINC000184265997 1430864782 /nfs/dbraw/zinc/86/47/82/1430864782.db2.gz QMGDCZYFSRMTBS-UHFFFAOYSA-N 1 0 398.463 3.144 20 5 GGBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000184356627 1430877588 /nfs/dbraw/zinc/87/75/88/1430877588.db2.gz FKLVKHNBCBONQN-INIZCTEOSA-N 1 0 392.843 3.478 20 5 GGBDRO CSCC[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000184597558 1430913597 /nfs/dbraw/zinc/91/35/97/1430913597.db2.gz VXIBSOUUOWOFLH-AWEZNQCLSA-N 1 0 387.465 3.100 20 5 GGBDRO C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000184688664 1430943228 /nfs/dbraw/zinc/94/32/28/1430943228.db2.gz YAQDVRPZIMMPSH-ZDUSSCGKSA-N 1 0 393.440 3.125 20 5 GGBDRO C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000184688683 1430943442 /nfs/dbraw/zinc/94/34/42/1430943442.db2.gz YAQDVRPZIMMPSH-CYBMUJFWSA-N 1 0 393.440 3.125 20 5 GGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000184697863 1430945185 /nfs/dbraw/zinc/94/51/85/1430945185.db2.gz IMSRDIPHGJBACI-GOSISDBHSA-N 1 0 396.491 3.339 20 5 GGBDRO COCCC1(C[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCCCC1 ZINC000184719045 1430952335 /nfs/dbraw/zinc/95/23/35/1430952335.db2.gz DDKVDUMYNKLWLL-SFHVURJKSA-N 1 0 375.469 3.277 20 5 GGBDRO C[C@@H](C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000184770526 1430972374 /nfs/dbraw/zinc/97/23/74/1430972374.db2.gz WEVPDNQVSFOZLM-XIKOKIGWSA-N 1 0 377.391 3.396 20 5 GGBDRO CCc1ccc([C@@H](COC)[NH2+]CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000184807662 1430984260 /nfs/dbraw/zinc/98/42/60/1430984260.db2.gz OISCWVDYZBVKHL-MRXNPFEDSA-N 1 0 391.424 3.065 20 5 GGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000184838296 1430999211 /nfs/dbraw/zinc/99/92/11/1430999211.db2.gz STOLWCMDXJMGNN-SFHVURJKSA-N 1 0 391.512 3.169 20 5 GGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000184843003 1431000451 /nfs/dbraw/zinc/00/04/51/1431000451.db2.gz LDKOEFYSHKQZST-ZIFCJYIRSA-N 1 0 391.512 3.169 20 5 GGBDRO CCc1ccc([C@@H](COC)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)o1 ZINC000184863087 1431006108 /nfs/dbraw/zinc/00/61/08/1431006108.db2.gz HMXLQAFIIPJOOX-MRXNPFEDSA-N 1 0 391.424 3.065 20 5 GGBDRO CC[NH+]1CCN(c2cccc(NC(=O)NCc3cccc([N+](=O)[O-])c3)c2)CC1 ZINC000184885908 1431012561 /nfs/dbraw/zinc/01/25/61/1431012561.db2.gz DVJJGUXCQRGHHT-UHFFFAOYSA-N 1 0 383.452 3.058 20 5 GGBDRO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185026992 1431044476 /nfs/dbraw/zinc/04/44/76/1431044476.db2.gz AUMZLMBTGLCXFE-CQSZACIVSA-N 1 0 386.427 3.013 20 5 GGBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](c2ncc(C)s2)C2CC2)c([N+](=O)[O-])c1 ZINC000185308841 1431108232 /nfs/dbraw/zinc/10/82/32/1431108232.db2.gz FSFFTYVPACWHBX-QGZVFWFLSA-N 1 0 390.465 3.438 20 5 GGBDRO Cc1c([C@@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000185351722 1431123320 /nfs/dbraw/zinc/12/33/20/1431123320.db2.gz GRCZHGVPJRXGIH-YLJYHZDGSA-N 1 0 397.475 3.024 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](c1ncc(C)s1)C1CC1 ZINC000185372887 1431128454 /nfs/dbraw/zinc/12/84/54/1431128454.db2.gz LVLHQPSWQWOFMW-KRWDZBQOSA-N 1 0 390.465 3.438 20 5 GGBDRO C[C@@H](c1ccsc1)N1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000185448580 1431147888 /nfs/dbraw/zinc/14/78/88/1431147888.db2.gz QORSTAFUSCMJPG-HNNXBMFYSA-N 1 0 388.493 3.364 20 5 GGBDRO C[C@H](c1ccsc1)N1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000185448599 1431147914 /nfs/dbraw/zinc/14/79/14/1431147914.db2.gz QORSTAFUSCMJPG-OAHLLOKOSA-N 1 0 388.493 3.364 20 5 GGBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC000185607877 1431182452 /nfs/dbraw/zinc/18/24/52/1431182452.db2.gz PEKSXWKYMSRUDV-HEHGZKQESA-N 1 0 385.420 3.085 20 5 GGBDRO C[C@@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185689806 1431207094 /nfs/dbraw/zinc/20/70/94/1431207094.db2.gz WUILGIXWGOFZKM-ZBFHGGJFSA-N 1 0 385.468 3.387 20 5 GGBDRO Cc1c(NC(=O)[C@H](C)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000185729197 1431217396 /nfs/dbraw/zinc/21/73/96/1431217396.db2.gz YPINAUVXJACSLP-IXDOHACOSA-N 1 0 388.512 3.473 20 5 GGBDRO C[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185754259 1431225527 /nfs/dbraw/zinc/22/55/27/1431225527.db2.gz GTKGXOOJSMHCLI-GOEBONIOSA-N 1 0 385.468 3.387 20 5 GGBDRO C[N@@H+]1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccccc1 ZINC000185894270 1431266846 /nfs/dbraw/zinc/26/68/46/1431266846.db2.gz QMNUCOAVUUNCNS-ROUUACIJSA-N 1 0 388.855 3.493 20 5 GGBDRO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000185931960 1431285617 /nfs/dbraw/zinc/28/56/17/1431285617.db2.gz LJYLDVPIFDHUFX-GOSISDBHSA-N 1 0 375.856 3.257 20 5 GGBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000186031830 1431314929 /nfs/dbraw/zinc/31/49/29/1431314929.db2.gz QKGDBLPMFHJELT-HNNXBMFYSA-N 1 0 389.477 3.294 20 5 GGBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000186031809 1431315155 /nfs/dbraw/zinc/31/51/55/1431315155.db2.gz QKGDBLPMFHJELT-OAHLLOKOSA-N 1 0 389.477 3.294 20 5 GGBDRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000186082551 1431326863 /nfs/dbraw/zinc/32/68/63/1431326863.db2.gz BLWTUTZPCWWQOR-UHFFFAOYSA-N 1 0 383.514 3.118 20 5 GGBDRO C[NH+](C)CC1(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CCCC1 ZINC000186182597 1431348314 /nfs/dbraw/zinc/34/83/14/1431348314.db2.gz SFPSQNLHNVTCBA-UHFFFAOYSA-N 1 0 388.512 3.049 20 5 GGBDRO C[NH+](C)CC1(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCCC1 ZINC000186199938 1431350936 /nfs/dbraw/zinc/35/09/36/1431350936.db2.gz POJCSSBLJHBVFH-UHFFFAOYSA-N 1 0 391.515 3.393 20 5 GGBDRO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1NC(=O)CC[NH+](C)C ZINC000186273178 1431368295 /nfs/dbraw/zinc/36/82/95/1431368295.db2.gz KJESFAJTCGQLLA-UHFFFAOYSA-N 1 0 384.436 3.354 20 5 GGBDRO CCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186298196 1431374891 /nfs/dbraw/zinc/37/48/91/1431374891.db2.gz ZXRTUAVRPUUUJT-GOSISDBHSA-N 1 0 383.448 3.340 20 5 GGBDRO CCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186303896 1431376646 /nfs/dbraw/zinc/37/66/46/1431376646.db2.gz ARHLHFILNDGOSM-QGZVFWFLSA-N 1 0 397.431 3.060 20 5 GGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000186340422 1431387280 /nfs/dbraw/zinc/38/72/80/1431387280.db2.gz OLMJTFBLDCTGBR-NNDYNSRJSA-N 1 0 398.463 3.127 20 5 GGBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2CCCO[C@@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000186386253 1431397703 /nfs/dbraw/zinc/39/77/03/1431397703.db2.gz LNDAQERTKHRSHR-FUHWJXTLSA-N 1 0 379.457 3.115 20 5 GGBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CCCO[C@@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000186386231 1431397860 /nfs/dbraw/zinc/39/78/60/1431397860.db2.gz LNDAQERTKHRSHR-SJLPKXTDSA-N 1 0 379.457 3.115 20 5 GGBDRO CNC(=O)c1ccc(NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000186417126 1431410558 /nfs/dbraw/zinc/41/05/58/1431410558.db2.gz YDOPJZYPYOJASN-FQEVSTJZSA-N 1 0 382.464 3.277 20 5 GGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc(COc2ccccc2)n[nH]1 ZINC000186426424 1431415396 /nfs/dbraw/zinc/41/53/96/1431415396.db2.gz YCPFXRXDWHGONM-OAHLLOKOSA-N 1 0 381.436 3.403 20 5 GGBDRO Cn1cc(C[N@@H+]2CCSC3(CCOCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000186481804 1431431984 /nfs/dbraw/zinc/43/19/84/1431431984.db2.gz YXHGQLVHLMWOSK-UHFFFAOYSA-N 1 0 388.493 3.093 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186599020 1431464711 /nfs/dbraw/zinc/46/47/11/1431464711.db2.gz INGSBSSHTURLLL-OAQYLSRUSA-N 1 0 397.431 3.063 20 5 GGBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186601653 1431465696 /nfs/dbraw/zinc/46/56/96/1431465696.db2.gz GHVJSLFGRWLERA-LJQANCHMSA-N 1 0 382.464 3.093 20 5 GGBDRO CCc1ccc(C(=O)N(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000186609686 1431467917 /nfs/dbraw/zinc/46/79/17/1431467917.db2.gz LPCXCLCHGAOPBJ-LJQANCHMSA-N 1 0 382.464 3.337 20 5 GGBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@]3(C2)OCc2ccccc23)cccc1[N+](=O)[O-] ZINC000186635463 1431475982 /nfs/dbraw/zinc/47/59/82/1431475982.db2.gz YRHWJEZDWMHFSO-OAQYLSRUSA-N 1 0 381.432 3.363 20 5 GGBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186838048 1431534230 /nfs/dbraw/zinc/53/42/30/1431534230.db2.gz RHADDJWTEJMVFN-ZDUSSCGKSA-N 1 0 390.465 3.304 20 5 GGBDRO CC(C)(CC[NH+]1CCCCCC1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000186902604 1431560423 /nfs/dbraw/zinc/56/04/23/1431560423.db2.gz RZOOZCJYWAXOHC-UHFFFAOYSA-N 1 0 383.514 3.059 20 5 GGBDRO C[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@H](c1ccccc1)[NH+](C)C ZINC000187213883 1431651378 /nfs/dbraw/zinc/65/13/78/1431651378.db2.gz RNYVRGJYTUPICP-FOIQADDNSA-N 1 0 393.447 3.202 20 5 GGBDRO C[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H](c1ccccc1)[NH+](C)C ZINC000187233399 1431658855 /nfs/dbraw/zinc/65/88/55/1431658855.db2.gz CYHXSGIMCIJZSS-LHSJRXKWSA-N 1 0 380.448 3.426 20 5 GGBDRO C[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187241837 1431662053 /nfs/dbraw/zinc/66/20/53/1431662053.db2.gz RYVNTRQFZFBEEN-YWZLYKJASA-N 1 0 393.447 3.202 20 5 GGBDRO C[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@H](c1ccccc1)[NH+](C)C ZINC000187241881 1431662210 /nfs/dbraw/zinc/66/22/10/1431662210.db2.gz RYVNTRQFZFBEEN-MGPUTAFESA-N 1 0 393.447 3.202 20 5 GGBDRO COc1cc(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000187253972 1431667505 /nfs/dbraw/zinc/66/75/05/1431667505.db2.gz FPQDCIPPECOQIF-BFUOFWGJSA-N 1 0 387.436 3.033 20 5 GGBDRO C[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187264224 1431672465 /nfs/dbraw/zinc/67/24/65/1431672465.db2.gz CVBHPGQVMFADHV-YWZLYKJASA-N 1 0 393.447 3.202 20 5 GGBDRO C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@@H+]1Cc1ccccc1 ZINC000187359541 1431707928 /nfs/dbraw/zinc/70/79/28/1431707928.db2.gz ONGULKCDTUZNHO-DOTOQJQBSA-N 1 0 382.464 3.302 20 5 GGBDRO COc1cc(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000187612772 1431779249 /nfs/dbraw/zinc/77/92/49/1431779249.db2.gz HBAOXQXGGMZALP-LJQANCHMSA-N 1 0 383.448 3.244 20 5 GGBDRO CC(C)c1ccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000188126492 1431850185 /nfs/dbraw/zinc/85/01/85/1431850185.db2.gz YWIMGOUCSZWTEO-QUCCMNQESA-N 1 0 389.496 3.216 20 5 GGBDRO CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188288566 1431870073 /nfs/dbraw/zinc/87/00/73/1431870073.db2.gz BUJXTBCOYZRMKL-FQEVSTJZSA-N 1 0 389.883 3.317 20 5 GGBDRO Cc1c(NC(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000188370100 1431877981 /nfs/dbraw/zinc/87/79/81/1431877981.db2.gz JBTWBNMOMOCINJ-NRFANRHFSA-N 1 0 398.463 3.004 20 5 GGBDRO C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[NH2+]1 ZINC000188379305 1431879177 /nfs/dbraw/zinc/87/91/77/1431879177.db2.gz HUOPNHDTEVECPQ-GFCCVEGCSA-N 1 0 375.812 3.474 20 5 GGBDRO COc1cc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc([N+](=O)[O-])c1C ZINC000188607039 1431899568 /nfs/dbraw/zinc/89/95/68/1431899568.db2.gz GXTMKIGFWWJXMF-UHFFFAOYSA-N 1 0 397.475 3.349 20 5 GGBDRO COc1cc(C[NH2+]C[C@H]2CC[C@H](O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000188808486 1431983681 /nfs/dbraw/zinc/98/36/81/1431983681.db2.gz UBZMZAVWSQCGRA-WMZOPIPTSA-N 1 0 386.448 3.433 20 5 GGBDRO COc1cc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000188808511 1431984001 /nfs/dbraw/zinc/98/40/01/1431984001.db2.gz UBZMZAVWSQCGRA-SJLPKXTDSA-N 1 0 386.448 3.433 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000188822595 1431990474 /nfs/dbraw/zinc/99/04/74/1431990474.db2.gz YUZZCAHMZJXVRF-UHFFFAOYSA-N 1 0 398.463 3.182 20 5 GGBDRO O=C(CCN1CCC[N@@H+](C2CCCC2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000189029342 1432030148 /nfs/dbraw/zinc/03/01/48/1432030148.db2.gz BEGNZNLISCRRRP-UHFFFAOYSA-N 1 0 378.448 3.013 20 5 GGBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000189406209 1432099661 /nfs/dbraw/zinc/09/96/61/1432099661.db2.gz ZJSLWLODMQKCGQ-SFHVURJKSA-N 1 0 389.452 3.473 20 5 GGBDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1ccccc1 ZINC000189575249 1432164447 /nfs/dbraw/zinc/16/44/47/1432164447.db2.gz HMRNHLVIULKQIZ-GOSISDBHSA-N 1 0 391.493 3.493 20 5 GGBDRO CC(C)OC(=O)C[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000189582228 1432166536 /nfs/dbraw/zinc/16/65/36/1432166536.db2.gz SSRRUPULBWNJHT-CQSZACIVSA-N 1 0 395.431 3.116 20 5 GGBDRO O=C(CC[N@@H+]1CC[C@@]2(C1)OCc1ccccc12)Nc1cc([N+](=O)[O-])ccc1F ZINC000189587207 1432168770 /nfs/dbraw/zinc/16/87/70/1432168770.db2.gz RJHLOFUJNXPKKN-FQEVSTJZSA-N 1 0 385.395 3.194 20 5 GGBDRO CC[NH+](CC)Cc1ccc(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)cc1 ZINC000189591869 1432169391 /nfs/dbraw/zinc/16/93/91/1432169391.db2.gz FJKRPLVYCLMDFI-UHFFFAOYSA-N 1 0 391.493 3.452 20 5 GGBDRO COc1cc(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000189627195 1432183538 /nfs/dbraw/zinc/18/35/38/1432183538.db2.gz QMZDFNVXMLMJKO-WBMJQRKESA-N 1 0 392.374 3.185 20 5 GGBDRO COc1cc(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000189627215 1432183715 /nfs/dbraw/zinc/18/37/15/1432183715.db2.gz QMZDFNVXMLMJKO-MLGOLLRUSA-N 1 0 392.374 3.185 20 5 GGBDRO COc1cc(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)cc([N+](=O)[O-])c1C ZINC000189687715 1432204600 /nfs/dbraw/zinc/20/46/00/1432204600.db2.gz GCXLBVRWCNMGIM-OAHLLOKOSA-N 1 0 398.463 3.262 20 5 GGBDRO CC(C)c1ccc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)cc1[N+](=O)[O-] ZINC000189785192 1432234656 /nfs/dbraw/zinc/23/46/56/1432234656.db2.gz VQEYEZCWGIYSRX-UHFFFAOYSA-N 1 0 389.496 3.483 20 5 GGBDRO O=C1[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCN1Cc1ccc(F)cc1F ZINC000189800844 1432239058 /nfs/dbraw/zinc/23/90/58/1432239058.db2.gz IBBAKYHVTQXJHQ-SFHVURJKSA-N 1 0 375.375 3.154 20 5 GGBDRO CCOC(=O)[C@@](C)(C[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000189982508 1432299012 /nfs/dbraw/zinc/29/90/12/1432299012.db2.gz LEMDUSSTJZIRLY-BTYIYWSLSA-N 1 0 399.447 3.032 20 5 GGBDRO CCOC(=O)[C@](C)(C[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000189987364 1432300171 /nfs/dbraw/zinc/30/01/71/1432300171.db2.gz NNYGLQKROZVUPP-QVKFZJNVSA-N 1 0 399.447 3.032 20 5 GGBDRO CCOC(=O)[C@@](C)(C[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000189988725 1432300556 /nfs/dbraw/zinc/30/05/56/1432300556.db2.gz QPKMIHNZSJZPBU-BTYIYWSLSA-N 1 0 399.447 3.032 20 5 GGBDRO CCOC(=O)[C@](C)(C[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000189988747 1432300736 /nfs/dbraw/zinc/30/07/36/1432300736.db2.gz QPKMIHNZSJZPBU-YCRPNKLZSA-N 1 0 399.447 3.032 20 5 GGBDRO CC(C)c1ccc(C(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000190045477 1432310259 /nfs/dbraw/zinc/31/02/59/1432310259.db2.gz PGPFJPWJFMADTG-IYBDPMFKSA-N 1 0 377.485 3.337 20 5 GGBDRO COc1cc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000190048586 1432311046 /nfs/dbraw/zinc/31/10/46/1432311046.db2.gz ZGEMIKISANKVDJ-BEFAXECRSA-N 1 0 386.448 3.385 20 5 GGBDRO COc1cc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc([N+](=O)[O-])c1C ZINC000190107826 1432321028 /nfs/dbraw/zinc/32/10/28/1432321028.db2.gz MRQAEPNSTBUDER-LSDHHAIUSA-N 1 0 375.469 3.295 20 5 GGBDRO COc1ccc(C[NH2+]Cc2ccc(C)nc2-n2cc(Cl)cn2)cc1[N+](=O)[O-] ZINC000190308979 1432357756 /nfs/dbraw/zinc/35/77/56/1432357756.db2.gz UGWJTSLJPGTMDF-UHFFFAOYSA-N 1 0 387.827 3.436 20 5 GGBDRO CN(C/C=C/c1ccccc1[N+](=O)[O-])C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190313512 1432358634 /nfs/dbraw/zinc/35/86/34/1432358634.db2.gz QDHKBKNNBUWCAB-ICKBMGCOSA-N 1 0 381.476 3.177 20 5 GGBDRO CC(C)c1ccc(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000190343648 1432364911 /nfs/dbraw/zinc/36/49/11/1432364911.db2.gz UDKJJUHRKGHQRX-RTBURBONSA-N 1 0 397.475 3.083 20 5 GGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000190409671 1432376062 /nfs/dbraw/zinc/37/60/62/1432376062.db2.gz NPNNAWGAZNUSBQ-INIZCTEOSA-N 1 0 375.425 3.318 20 5 GGBDRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000190422124 1432378783 /nfs/dbraw/zinc/37/87/83/1432378783.db2.gz SEQNZHBUYJONOL-IBGZPJMESA-N 1 0 384.436 3.007 20 5 GGBDRO Cc1ccc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000190839910 1432503555 /nfs/dbraw/zinc/50/35/55/1432503555.db2.gz IDKKLZGGBDTTFC-LJQANCHMSA-N 1 0 398.463 3.316 20 5 GGBDRO COc1cc(C[N@H+](C)CC2CC(O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000191166076 1432580951 /nfs/dbraw/zinc/58/09/51/1432580951.db2.gz LLAMFAUGUUDBIX-UHFFFAOYSA-N 1 0 386.448 3.385 20 5 GGBDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@H]2CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000191185633 1432585539 /nfs/dbraw/zinc/58/55/39/1432585539.db2.gz XQILRWSSLRIHCA-HNAYVOBHSA-N 1 0 386.448 3.385 20 5 GGBDRO Cn1cc([C@H]2CSCC[N@@H+]2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cn1 ZINC000191214706 1432593949 /nfs/dbraw/zinc/59/39/49/1432593949.db2.gz SNWJDRBYFRSKTA-QGZVFWFLSA-N 1 0 399.476 3.316 20 5 GGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000191325267 1432633030 /nfs/dbraw/zinc/63/30/30/1432633030.db2.gz MILJFBRYMZSRTN-PKOBYXMFSA-N 1 0 390.484 3.101 20 5 GGBDRO CCC1(CC)[C@@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1OC ZINC000191372047 1432644403 /nfs/dbraw/zinc/64/44/03/1432644403.db2.gz FOLXFFBXSWYSSH-IRXDYDNUSA-N 1 0 379.457 3.115 20 5 GGBDRO COC[C@@H](Cc1ccccc1)[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000191472184 1432667643 /nfs/dbraw/zinc/66/76/43/1432667643.db2.gz BYQLXHOFVMRERV-GOSISDBHSA-N 1 0 385.464 3.421 20 5 GGBDRO CCCn1ccnc1CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000191490996 1432671070 /nfs/dbraw/zinc/67/10/70/1432671070.db2.gz PXQNHLPVLUORLR-INIZCTEOSA-N 1 0 387.484 3.401 20 5 GGBDRO CCCn1ccnc1CCC[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000191496508 1432672310 /nfs/dbraw/zinc/67/23/10/1432672310.db2.gz HPKNJEUWKKLXIP-UHFFFAOYSA-N 1 0 384.440 3.316 20 5 GGBDRO COc1cc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc([N+](=O)[O-])c1C ZINC000191577268 1432686463 /nfs/dbraw/zinc/68/64/63/1432686463.db2.gz CCRBPNUDWVWSGT-UHFFFAOYSA-N 1 0 383.448 3.260 20 5 GGBDRO COc1cc(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)cc([N+](=O)[O-])c1C ZINC000191595006 1432688613 /nfs/dbraw/zinc/68/86/13/1432688613.db2.gz VLKIQLWDYMQEHG-UHFFFAOYSA-N 1 0 387.436 3.495 20 5 GGBDRO CCOc1ccc([C@@H](C)[NH2+]CCN2CCc3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000191621702 1432694292 /nfs/dbraw/zinc/69/42/92/1432694292.db2.gz RACMCZIBHUMXGC-OAHLLOKOSA-N 1 0 383.448 3.343 20 5 GGBDRO O=C1c2ccccc2CCN1CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000191625836 1432695364 /nfs/dbraw/zinc/69/53/64/1432695364.db2.gz YNKPNWMGDMUBAW-HXUWFJFHSA-N 1 0 379.460 3.204 20 5 GGBDRO COc1ccc(NC(=O)CC[NH+]2CCC(c3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000191665068 1432702491 /nfs/dbraw/zinc/70/24/91/1432702491.db2.gz GMPSLUVELYKCEY-UHFFFAOYSA-N 1 0 384.436 3.207 20 5 GGBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1 ZINC000191689157 1432706926 /nfs/dbraw/zinc/70/69/26/1432706926.db2.gz XOOMILDYLPXRTD-UHFFFAOYSA-N 1 0 377.485 3.496 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191936427 1432760277 /nfs/dbraw/zinc/76/02/77/1432760277.db2.gz LYHOGGIWSHCMQX-IBGZPJMESA-N 1 0 398.463 3.316 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(c1ccccc1)C1CC[NH+](C)CC1 ZINC000191945008 1432762708 /nfs/dbraw/zinc/76/27/08/1432762708.db2.gz RTPVHUDPDAQHLX-UHFFFAOYSA-N 1 0 389.477 3.193 20 5 GGBDRO Cc1cc(S(=O)(=O)N(c2ccccc2)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000191945380 1432762969 /nfs/dbraw/zinc/76/29/69/1432762969.db2.gz IAASYTHXBMGPPF-UHFFFAOYSA-N 1 0 389.477 3.193 20 5 GGBDRO O=C(C[NH2+][C@@H]1CCO[C@H]1c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000191946895 1432763385 /nfs/dbraw/zinc/76/33/85/1432763385.db2.gz ZKXZYNDEFHOKEO-QAPCUYQASA-N 1 0 375.812 3.307 20 5 GGBDRO COc1cccc(CN(CC[NH+](C)C)C(=O)Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000191954700 1432766019 /nfs/dbraw/zinc/76/60/19/1432766019.db2.gz HUSUIDRMPZVWQG-UHFFFAOYSA-N 1 0 385.464 3.045 20 5 GGBDRO Cc1cc(C)c(S(=O)(=O)N(CC[NH+](C)C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000192017827 1432780064 /nfs/dbraw/zinc/78/00/64/1432780064.db2.gz ZELFLRGJNKCLKM-UHFFFAOYSA-N 1 0 397.522 3.026 20 5 GGBDRO CN(C(=O)C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000192024028 1432781036 /nfs/dbraw/zinc/78/10/36/1432781036.db2.gz MZGGJJUFUUPMOA-HKUYNNGSSA-N 1 0 389.839 3.331 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 ZINC000192057916 1432789588 /nfs/dbraw/zinc/78/95/88/1432789588.db2.gz IHRZIXDNSCXELZ-BHIYHBOVSA-N 1 0 392.839 3.108 20 5 GGBDRO O=C(C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000192075576 1432793620 /nfs/dbraw/zinc/79/36/20/1432793620.db2.gz IMUWACAMHUJLMU-MAUKXSAKSA-N 1 0 393.802 3.446 20 5 GGBDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192111729 1432799952 /nfs/dbraw/zinc/79/99/52/1432799952.db2.gz WLXCBPBOGGTIJT-SDDDUWNISA-N 1 0 391.374 3.320 20 5 GGBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000192135199 1432804372 /nfs/dbraw/zinc/80/43/72/1432804372.db2.gz DYQBISTXIPZYDF-JKSUJKDBSA-N 1 0 395.525 3.143 20 5 GGBDRO COc1ccc(OCC[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000192137947 1432804978 /nfs/dbraw/zinc/80/49/78/1432804978.db2.gz KIISGCHAVAKKJR-QFBILLFUSA-N 1 0 394.374 3.380 20 5 GGBDRO COc1ccc(OCC[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000192137952 1432805052 /nfs/dbraw/zinc/80/50/52/1432805052.db2.gz KIISGCHAVAKKJR-APWZRJJASA-N 1 0 394.374 3.380 20 5 GGBDRO O=C(CC[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000192140080 1432805692 /nfs/dbraw/zinc/80/56/92/1432805692.db2.gz KFOMFEHHXXHLEP-APWZRJJASA-N 1 0 391.374 3.321 20 5 GGBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192226837 1432819492 /nfs/dbraw/zinc/81/94/92/1432819492.db2.gz VAOBWVYQYRCXKZ-FQEVSTJZSA-N 1 0 385.464 3.444 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192368483 1432837748 /nfs/dbraw/zinc/83/77/48/1432837748.db2.gz XKUNNSFGFRQKAQ-INIZCTEOSA-N 1 0 385.420 3.305 20 5 GGBDRO COc1cccc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000192466292 1432848097 /nfs/dbraw/zinc/84/80/97/1432848097.db2.gz BXILSGKDSKUXEM-SFHVURJKSA-N 1 0 383.448 3.479 20 5 GGBDRO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000192490258 1432850372 /nfs/dbraw/zinc/85/03/72/1432850372.db2.gz UNGXYZMXENWVRW-GJZGRUSLSA-N 1 0 387.484 3.341 20 5 GGBDRO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000192501737 1432851989 /nfs/dbraw/zinc/85/19/89/1432851989.db2.gz CCNIGMVIPZXBHZ-HUUCEWRRSA-N 1 0 387.484 3.341 20 5 GGBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000192595008 1432863959 /nfs/dbraw/zinc/86/39/59/1432863959.db2.gz UJPRLDKFRIGHSV-HNNXBMFYSA-N 1 0 387.484 3.432 20 5 GGBDRO CN(C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000192603946 1432865036 /nfs/dbraw/zinc/86/50/36/1432865036.db2.gz VBNLHBZBQSIMIG-QGZVFWFLSA-N 1 0 383.448 3.340 20 5 GGBDRO CN(C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000192603930 1432865129 /nfs/dbraw/zinc/86/51/29/1432865129.db2.gz VBNLHBZBQSIMIG-KRWDZBQOSA-N 1 0 383.448 3.340 20 5 GGBDRO COc1cccc(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000192657668 1432872108 /nfs/dbraw/zinc/87/21/08/1432872108.db2.gz BZWLUHCNDYMDES-MRXNPFEDSA-N 1 0 383.448 3.340 20 5 GGBDRO CCC(CC)(C[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)OC ZINC000192700327 1432876971 /nfs/dbraw/zinc/87/69/71/1432876971.db2.gz OAZTUTNAEVPZBT-NSHDSACASA-N 1 0 385.848 3.144 20 5 GGBDRO CCC(CC)(C[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)OC ZINC000192699921 1432876973 /nfs/dbraw/zinc/87/69/73/1432876973.db2.gz KSYXAPJYTOAXHT-LBPRGKRZSA-N 1 0 376.413 3.275 20 5 GGBDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192725506 1432880441 /nfs/dbraw/zinc/88/04/41/1432880441.db2.gz SYRKSIFHBJUEMR-BFUOFWGJSA-N 1 0 389.477 3.231 20 5 GGBDRO O=C1[C@H]([NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000192761069 1432886139 /nfs/dbraw/zinc/88/61/39/1432886139.db2.gz ZRCTWNCKYUXNIJ-ZLGUVYLKSA-N 1 0 395.459 3.458 20 5 GGBDRO O=C1[C@H]([NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000192761113 1432886141 /nfs/dbraw/zinc/88/61/41/1432886141.db2.gz ZRCTWNCKYUXNIJ-HBGVWJBISA-N 1 0 395.459 3.458 20 5 GGBDRO O=C1[C@H]([NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000192761097 1432886165 /nfs/dbraw/zinc/88/61/65/1432886165.db2.gz ZRCTWNCKYUXNIJ-MAODMQOUSA-N 1 0 395.459 3.458 20 5 GGBDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192811100 1432893498 /nfs/dbraw/zinc/89/34/98/1432893498.db2.gz RSBOFJYSGZVSPE-BFUOFWGJSA-N 1 0 389.477 3.231 20 5 GGBDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192811115 1432893639 /nfs/dbraw/zinc/89/36/39/1432893639.db2.gz RSBOFJYSGZVSPE-DJJJIMSYSA-N 1 0 389.477 3.231 20 5 GGBDRO C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000192865818 1432900793 /nfs/dbraw/zinc/90/07/93/1432900793.db2.gz JVAYPUSDIALLMX-MLGOLLRUSA-N 1 0 397.884 3.218 20 5 GGBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1[N+](=O)[O-] ZINC000192896766 1432904537 /nfs/dbraw/zinc/90/45/37/1432904537.db2.gz PQBUYBOHKFYFBR-UHFFFAOYSA-N 1 0 398.419 3.337 20 5 GGBDRO COc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[NH+](C)C)cc1OC ZINC000192905843 1432905612 /nfs/dbraw/zinc/90/56/12/1432905612.db2.gz AHTLZNSQJULUHY-INIZCTEOSA-N 1 0 390.396 3.235 20 5 GGBDRO COc1ccc([C@H](CNC(=O)c2c(C)cccc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000192907519 1432905708 /nfs/dbraw/zinc/90/57/08/1432905708.db2.gz JLBAWCFSBNDATN-IBGZPJMESA-N 1 0 383.448 3.479 20 5 GGBDRO COc1ccccc1[C@@H](CNC(=O)c1c(C)cccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000192912669 1432906443 /nfs/dbraw/zinc/90/64/43/1432906443.db2.gz PEOQMRKZWQCBAE-GOSISDBHSA-N 1 0 383.448 3.479 20 5 GGBDRO O=C(NCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1c(F)cccc1F ZINC000192991702 1432918494 /nfs/dbraw/zinc/91/84/94/1432918494.db2.gz GURSKNLCRMRXFY-QGZVFWFLSA-N 1 0 375.375 3.270 20 5 GGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[C@@H](O)CN1Cc1ccccc1)CCC2 ZINC000193056948 1432929444 /nfs/dbraw/zinc/92/94/44/1432929444.db2.gz ZJXHBGKDASIBIE-KCZVDYSFSA-N 1 0 381.476 3.197 20 5 GGBDRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000193108396 1432937212 /nfs/dbraw/zinc/93/72/12/1432937212.db2.gz YQXCUSGWJOQUOB-IBGZPJMESA-N 1 0 395.525 3.012 20 5 GGBDRO COc1ccc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000193193839 1432955672 /nfs/dbraw/zinc/95/56/72/1432955672.db2.gz LYVZMXOWPURYLL-UHFFFAOYSA-N 1 0 383.448 3.040 20 5 GGBDRO COc1ccc([C@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C2CC2)cc1 ZINC000193354091 1432984895 /nfs/dbraw/zinc/98/48/95/1432984895.db2.gz ICUQRHJMSUVNTE-OAQYLSRUSA-N 1 0 381.432 3.233 20 5 GGBDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1O2 ZINC000193521217 1433013477 /nfs/dbraw/zinc/01/34/77/1433013477.db2.gz NIDHPHZMJIFELY-SFHVURJKSA-N 1 0 399.422 3.452 20 5 GGBDRO COc1cccc([C@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[NH+](C)C)c1 ZINC000193599104 1433026377 /nfs/dbraw/zinc/02/63/77/1433026377.db2.gz NIXRUWJIHQYLQQ-IBGZPJMESA-N 1 0 384.436 3.203 20 5 GGBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)NC1CC[NH+](CC2CC2)CC1 ZINC000193668300 1433037327 /nfs/dbraw/zinc/03/73/27/1433037327.db2.gz WMGBXQUXCGMTCH-UHFFFAOYSA-N 1 0 384.383 3.192 20 5 GGBDRO Cc1cc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000193746284 1433051194 /nfs/dbraw/zinc/05/11/94/1433051194.db2.gz VFCVSSMGPXVNSD-IBGZPJMESA-N 1 0 398.463 3.182 20 5 GGBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000193791568 1433060378 /nfs/dbraw/zinc/06/03/78/1433060378.db2.gz FDZSXGQJDLKBHD-KRWDZBQOSA-N 1 0 394.475 3.421 20 5 GGBDRO C[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000193798625 1433061917 /nfs/dbraw/zinc/06/19/17/1433061917.db2.gz DPOICAHTPMGWOZ-DOTOQJQBSA-N 1 0 385.439 3.476 20 5 GGBDRO C[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000193798611 1433061967 /nfs/dbraw/zinc/06/19/67/1433061967.db2.gz DPOICAHTPMGWOZ-WBVHZDCISA-N 1 0 385.439 3.476 20 5 GGBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193801769 1433062769 /nfs/dbraw/zinc/06/27/69/1433062769.db2.gz GDHFHQAOQHWXOV-GOSISDBHSA-N 1 0 382.464 3.035 20 5 GGBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193801789 1433062791 /nfs/dbraw/zinc/06/27/91/1433062791.db2.gz GDHFHQAOQHWXOV-SFHVURJKSA-N 1 0 382.464 3.035 20 5 GGBDRO C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[N@@H+]1CCc2ccccc2C1 ZINC000193838392 1433070250 /nfs/dbraw/zinc/07/02/50/1433070250.db2.gz BPYMYUMYXYBOFY-AWEZNQCLSA-N 1 0 380.448 3.338 20 5 GGBDRO C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[N@@H+]1CCc2sccc2C1 ZINC000193854460 1433073789 /nfs/dbraw/zinc/07/37/89/1433073789.db2.gz GSSZMGQWBITBJA-LBPRGKRZSA-N 1 0 386.477 3.400 20 5 GGBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)COc2cccc([N+](=O)[O-])c2C)CC1 ZINC000193894927 1433079652 /nfs/dbraw/zinc/07/96/52/1433079652.db2.gz YEOSEPIIFUZOKC-UHFFFAOYSA-N 1 0 397.475 3.371 20 5 GGBDRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000193944347 1433089951 /nfs/dbraw/zinc/08/99/51/1433089951.db2.gz LGBHYUZNDGRIFX-OAHLLOKOSA-N 1 0 398.463 3.253 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000193946162 1433090077 /nfs/dbraw/zinc/09/00/77/1433090077.db2.gz KBKGTMWWZAZXPR-GOSISDBHSA-N 1 0 398.463 3.067 20 5 GGBDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1O2 ZINC000193953408 1433091544 /nfs/dbraw/zinc/09/15/44/1433091544.db2.gz OSVOFUCZPPOGEJ-GOSISDBHSA-N 1 0 381.432 3.313 20 5 GGBDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1O2 ZINC000193953242 1433091580 /nfs/dbraw/zinc/09/15/80/1433091580.db2.gz SQGJCSCKZLQBNU-CQSZACIVSA-N 1 0 387.461 3.374 20 5 GGBDRO CSc1ccc(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000193965301 1433093548 /nfs/dbraw/zinc/09/35/48/1433093548.db2.gz MADFERDVGPOZJV-UHFFFAOYSA-N 1 0 389.477 3.187 20 5 GGBDRO COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000194055804 1433108952 /nfs/dbraw/zinc/10/89/52/1433108952.db2.gz XORROKAXRUUPGF-ZIAGYGMSSA-N 1 0 385.420 3.368 20 5 GGBDRO COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000194055821 1433109014 /nfs/dbraw/zinc/10/90/14/1433109014.db2.gz XORROKAXRUUPGF-KGLIPLIRSA-N 1 0 385.420 3.368 20 5 GGBDRO C[C@H](NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000194058923 1433109599 /nfs/dbraw/zinc/10/95/99/1433109599.db2.gz OMLQTQFUCSGZOO-FUHWJXTLSA-N 1 0 382.464 3.477 20 5 GGBDRO C[C@H](NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000194058886 1433109632 /nfs/dbraw/zinc/10/96/32/1433109632.db2.gz OMLQTQFUCSGZOO-WMZOPIPTSA-N 1 0 382.464 3.477 20 5 GGBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC1CC[NH+](CC2CC2)CC1 ZINC000194238317 1433146027 /nfs/dbraw/zinc/14/60/27/1433146027.db2.gz CCTMUEINWZADNW-UHFFFAOYSA-N 1 0 389.499 3.145 20 5 GGBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000194352018 1433165661 /nfs/dbraw/zinc/16/56/61/1433165661.db2.gz SEKYXDXSBAGJPJ-KRWDZBQOSA-N 1 0 395.459 3.388 20 5 GGBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000194352952 1433165909 /nfs/dbraw/zinc/16/59/09/1433165909.db2.gz QPKDUPBYYQIXEP-UHFFFAOYSA-N 1 0 399.488 3.011 20 5 GGBDRO COc1cccc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000194354438 1433166058 /nfs/dbraw/zinc/16/60/58/1433166058.db2.gz XUXFAXFVOSUEMN-UHFFFAOYSA-N 1 0 393.390 3.086 20 5 GGBDRO C[C@H](NC(=O)NCc1ccc(OCC[NH+](C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000194431118 1433176915 /nfs/dbraw/zinc/17/69/15/1433176915.db2.gz LRQABDNGARRXHN-HNNXBMFYSA-N 1 0 386.452 3.096 20 5 GGBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000194530741 1433193180 /nfs/dbraw/zinc/19/31/80/1433193180.db2.gz APYANNAUMWKNCO-IBGZPJMESA-N 1 0 397.475 3.310 20 5 GGBDRO COc1cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000194535244 1433193733 /nfs/dbraw/zinc/19/37/33/1433193733.db2.gz CSQNKJZCWHMVRL-KDURUIRLSA-N 1 0 397.475 3.176 20 5 GGBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000194546869 1433195586 /nfs/dbraw/zinc/19/55/86/1433195586.db2.gz OSIZAWMYWFXYAM-KRWDZBQOSA-N 1 0 383.448 3.340 20 5 GGBDRO C[C@@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000194554210 1433196368 /nfs/dbraw/zinc/19/63/68/1433196368.db2.gz LZMAXLGDUZDQIV-HNNXBMFYSA-N 1 0 383.448 3.386 20 5 GGBDRO COc1cccc(C(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000194699878 1433217220 /nfs/dbraw/zinc/21/72/20/1433217220.db2.gz CPUUKQNOITXEFV-HOTGVXAUSA-N 1 0 397.475 3.490 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)NC[C@H]3CCC[N@H+]3C)cc2[N+](=O)[O-])n1 ZINC000194745465 1433223345 /nfs/dbraw/zinc/22/33/45/1433223345.db2.gz NPOPVRTUFZTMTA-CYBMUJFWSA-N 1 0 392.506 3.335 20 5 GGBDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000194873133 1433253703 /nfs/dbraw/zinc/25/37/03/1433253703.db2.gz WUPGFMHHINRWFA-FQEVSTJZSA-N 1 0 391.468 3.143 20 5 GGBDRO CCC[C@@]1(COC)CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000194939536 1433268896 /nfs/dbraw/zinc/26/88/96/1433268896.db2.gz BLESQLFRQQDMHJ-IBGZPJMESA-N 1 0 379.457 3.213 20 5 GGBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000195138609 1433297980 /nfs/dbraw/zinc/29/79/80/1433297980.db2.gz DEYDVLQOAYKOPO-UHFFFAOYSA-N 1 0 388.855 3.225 20 5 GGBDRO COc1ccccc1[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)[NH+]1CCCCC1 ZINC000195155282 1433300500 /nfs/dbraw/zinc/30/05/00/1433300500.db2.gz OLAYNDDZBVOUFJ-IBGZPJMESA-N 1 0 398.463 3.143 20 5 GGBDRO COCc1cc([N+](=O)[O-])ccc1NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000195271403 1433314096 /nfs/dbraw/zinc/31/40/96/1433314096.db2.gz CNLINPCGLXDMJW-HXUWFJFHSA-N 1 0 385.464 3.310 20 5 GGBDRO COc1cc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000195279477 1433314540 /nfs/dbraw/zinc/31/45/40/1433314540.db2.gz LBRMYNJPBHSNFJ-UHFFFAOYSA-N 1 0 383.448 3.040 20 5 GGBDRO CC(C)[NH+]1CCN(c2ccc(C(=O)NCc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000195356706 1433322225 /nfs/dbraw/zinc/32/22/25/1433322225.db2.gz MNLUECJMZJUZNN-UHFFFAOYSA-N 1 0 382.464 3.055 20 5 GGBDRO CCc1cc(NC[C@H]2C[N@H+](CC(C)C)CCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000195607711 1433341430 /nfs/dbraw/zinc/34/14/30/1433341430.db2.gz JWXIKWHERNDZJH-IBGZPJMESA-N 1 0 399.495 3.383 20 5 GGBDRO CC[NH+](CC)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000198116051 1433347384 /nfs/dbraw/zinc/34/73/84/1433347384.db2.gz HQNZKDPNAQQFBS-HXUWFJFHSA-N 1 0 385.464 3.345 20 5 GGBDRO C[C@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000226492808 1433368736 /nfs/dbraw/zinc/36/87/36/1433368736.db2.gz SQPDOVVKKYOJGP-IAGOWNOFSA-N 1 0 388.512 3.048 20 5 GGBDRO CC(=O)NCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236650019 1433375316 /nfs/dbraw/zinc/37/53/16/1433375316.db2.gz SEUPSVAQONNUEL-UHFFFAOYSA-N 1 0 393.447 3.063 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000236840385 1433380637 /nfs/dbraw/zinc/38/06/37/1433380637.db2.gz IZJOCFDJYLGULV-UHFFFAOYSA-N 1 0 377.485 3.118 20 5 GGBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000237073032 1433387849 /nfs/dbraw/zinc/38/78/49/1433387849.db2.gz OHANLQQDIMZPED-JKSUJKDBSA-N 1 0 397.479 3.235 20 5 GGBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000237072638 1433387945 /nfs/dbraw/zinc/38/79/45/1433387945.db2.gz JZRWYNWLBCVDQJ-QGZVFWFLSA-N 1 0 382.464 3.279 20 5 GGBDRO COc1cc(C(=O)NC[C@@H](C)C[NH3+])ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000237087742 1433388415 /nfs/dbraw/zinc/38/84/15/1433388415.db2.gz UMKHBEYVMCZRMW-NSHDSACASA-N 1 0 393.827 3.374 20 5 GGBDRO COc1cc(CNC2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237111805 1433389536 /nfs/dbraw/zinc/38/95/36/1433389536.db2.gz QSTWEMGISZYGJF-UHFFFAOYSA-N 1 0 385.464 3.366 20 5 GGBDRO COc1ccc(CC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000237257799 1433394773 /nfs/dbraw/zinc/39/47/73/1433394773.db2.gz XNLGXKKQBWCBDU-UHFFFAOYSA-N 1 0 396.447 3.345 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N3C[C@@H](C)[NH2+]C[C@H]3C)cc2[N+](=O)[O-])n1 ZINC000237359395 1433398940 /nfs/dbraw/zinc/39/89/40/1433398940.db2.gz BCLNKRZKBZGJSK-ZYHUDNBSSA-N 1 0 392.506 3.333 20 5 GGBDRO CSc1ccc(C(=O)c2ccccc2C(=O)NC[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000237382668 1433399749 /nfs/dbraw/zinc/39/97/49/1433399749.db2.gz WHRJFMRFUBHSIR-INIZCTEOSA-N 1 0 399.472 3.015 20 5 GGBDRO COc1cc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)c([N+](=O)[O-])cc1OC ZINC000237426788 1433402527 /nfs/dbraw/zinc/40/25/27/1433402527.db2.gz XSXMYRWHJHOEES-MRXNPFEDSA-N 1 0 375.425 3.132 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000237437509 1433403318 /nfs/dbraw/zinc/40/33/18/1433403318.db2.gz OMYJNDNUTSFKNE-SIFCLUCFSA-N 1 0 397.479 3.362 20 5 GGBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CC(=O)N(C(C)(C)C)C3)o2)c([N+](=O)[O-])c1 ZINC000237440683 1433403344 /nfs/dbraw/zinc/40/33/44/1433403344.db2.gz GWAQULKCGGQTLC-CYBMUJFWSA-N 1 0 387.436 3.352 20 5 GGBDRO COc1cc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)c([N+](=O)[O-])cc1OC ZINC000237451138 1433403566 /nfs/dbraw/zinc/40/35/66/1433403566.db2.gz XSXMYRWHJHOEES-INIZCTEOSA-N 1 0 375.425 3.132 20 5 GGBDRO COc1cc(C[NH2+]C[C@@H](c2ccc(C)o2)N2CCCC2)c([N+](=O)[O-])cc1OC ZINC000237450455 1433403625 /nfs/dbraw/zinc/40/36/25/1433403625.db2.gz PQINSFQHEWSHHF-KRWDZBQOSA-N 1 0 389.452 3.440 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000237455837 1433404004 /nfs/dbraw/zinc/40/40/04/1433404004.db2.gz OCYSISJUSWYVBA-CQSZACIVSA-N 1 0 385.420 3.125 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-])c1ccccn1 ZINC000237522302 1433407568 /nfs/dbraw/zinc/40/75/68/1433407568.db2.gz GCTXMCYSVPUOLG-DZKIICNBSA-N 1 0 383.452 3.115 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000237537326 1433408510 /nfs/dbraw/zinc/40/85/10/1433408510.db2.gz FNELLCJYQITJBJ-HOCLYGCPSA-N 1 0 383.452 3.116 20 5 GGBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000237560766 1433409641 /nfs/dbraw/zinc/40/96/41/1433409641.db2.gz WWXBTSLJIAPILI-UIBIWLFHSA-N 1 0 388.512 3.419 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-])c1ccccn1 ZINC000237621777 1433413072 /nfs/dbraw/zinc/41/30/72/1433413072.db2.gz GCTXMCYSVPUOLG-OFQRWUPVSA-N 1 0 383.452 3.115 20 5 GGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)cs1 ZINC000237645763 1433414643 /nfs/dbraw/zinc/41/46/43/1433414643.db2.gz ZPVMWIQGMZCCRH-MRXNPFEDSA-N 1 0 381.885 3.473 20 5 GGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)cs1 ZINC000237651587 1433414888 /nfs/dbraw/zinc/41/48/88/1433414888.db2.gz ZPVMWIQGMZCCRH-INIZCTEOSA-N 1 0 381.885 3.473 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N3CCC(C[NH3+])CC3)cc2[N+](=O)[O-])n1 ZINC000237648392 1433414967 /nfs/dbraw/zinc/41/49/67/1433414967.db2.gz GFTXNJCKOIMXHR-UHFFFAOYSA-N 1 0 392.506 3.322 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N[C@](C)(C[NH3+])C3CC3)cc2[N+](=O)[O-])n1 ZINC000237649752 1433414977 /nfs/dbraw/zinc/41/49/77/1433414977.db2.gz OBTXBMPRYNYMGV-QGZVFWFLSA-N 1 0 392.506 3.368 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)NC[C@H]3CCC[NH2+]C3)cc2[N+](=O)[O-])n1 ZINC000237649422 1433415036 /nfs/dbraw/zinc/41/50/36/1433415036.db2.gz BFBJQIMSPJPGBN-LBPRGKRZSA-N 1 0 392.506 3.240 20 5 GGBDRO C[C@H](CN1CCOCC1)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000237668737 1433415754 /nfs/dbraw/zinc/41/57/54/1433415754.db2.gz XYPYSQUJGOVUTJ-OAHLLOKOSA-N 1 0 389.427 3.337 20 5 GGBDRO [NH3+]C[C@@H](NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000237794330 1433424585 /nfs/dbraw/zinc/42/45/85/1433424585.db2.gz MIJSZIHCQORKAJ-QGZVFWFLSA-N 1 0 388.855 3.327 20 5 GGBDRO Cc1ccc([C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)N2CCOCC2)o1 ZINC000237883985 1433431532 /nfs/dbraw/zinc/43/15/32/1433431532.db2.gz OXOJMKDEVFAUJN-QGZVFWFLSA-N 1 0 379.844 3.313 20 5 GGBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC([NH2+]CC2CC2)CC1 ZINC000238150588 1433444310 /nfs/dbraw/zinc/44/43/10/1433444310.db2.gz ORFJNLQSELHDTJ-UHFFFAOYSA-N 1 0 389.499 3.145 20 5 GGBDRO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000245449480 1433470124 /nfs/dbraw/zinc/47/01/24/1433470124.db2.gz NSVFDUYCQDSNHP-LEWJYISDSA-N 1 0 398.438 3.403 20 5 GGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245466208 1433473982 /nfs/dbraw/zinc/47/39/82/1433473982.db2.gz YXZKBCGIKHQYJV-CABCVRRESA-N 1 0 394.903 3.383 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000245535434 1433482247 /nfs/dbraw/zinc/48/22/47/1433482247.db2.gz WQQIBRYLEBPOQU-HUUCEWRRSA-N 1 0 389.452 3.050 20 5 GGBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000245741079 1433509255 /nfs/dbraw/zinc/50/92/55/1433509255.db2.gz RNJQSIKICKURPN-IEBWSBKVSA-N 1 0 394.475 3.304 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)C1 ZINC000245789721 1433518084 /nfs/dbraw/zinc/51/80/84/1433518084.db2.gz NNLXLLIZVPZHKV-BBRMVZONSA-N 1 0 383.876 3.115 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000245916613 1433541776 /nfs/dbraw/zinc/54/17/76/1433541776.db2.gz WSGGLBGZDNEHNB-OZOXKJRCSA-N 1 0 386.448 3.092 20 5 GGBDRO CCC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000246196097 1433580950 /nfs/dbraw/zinc/58/09/50/1433580950.db2.gz AGVMDQSROITWCQ-ZWKOTPCHSA-N 1 0 393.484 3.350 20 5 GGBDRO C[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1CNC(=O)OC(C)(C)C ZINC000246217361 1433582903 /nfs/dbraw/zinc/58/29/03/1433582903.db2.gz CZPSRBNIJAPAGA-JLSDUUJJSA-N 1 0 393.484 3.253 20 5 GGBDRO C[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1CNC(=O)OC(C)(C)C ZINC000246217354 1433582943 /nfs/dbraw/zinc/58/29/43/1433582943.db2.gz CZPSRBNIJAPAGA-FHLIZLRMSA-N 1 0 393.484 3.253 20 5 GGBDRO C[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000246217367 1433582988 /nfs/dbraw/zinc/58/29/88/1433582988.db2.gz CZPSRBNIJAPAGA-ZTFGCOKTSA-N 1 0 393.484 3.253 20 5 GGBDRO O=C(NC[C@@H]1CCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1 ZINC000246245123 1433585988 /nfs/dbraw/zinc/58/59/88/1433585988.db2.gz IHLMQIXLSIQVBF-VQTJNVASSA-N 1 0 398.463 3.304 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246332957 1433596308 /nfs/dbraw/zinc/59/63/08/1433596308.db2.gz ICENINURMDFYAZ-IAGOWNOFSA-N 1 0 395.525 3.178 20 5 GGBDRO COc1cccc(C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]2CCCO2)c1 ZINC000246364326 1433600945 /nfs/dbraw/zinc/60/09/45/1433600945.db2.gz XUZOAHAJICEMPT-LEWJYISDSA-N 1 0 386.448 3.318 20 5 GGBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000246367192 1433601397 /nfs/dbraw/zinc/60/13/97/1433601397.db2.gz LHPAZSQKPPKSAX-DLBZAZTESA-N 1 0 375.469 3.087 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000246370630 1433601894 /nfs/dbraw/zinc/60/18/94/1433601894.db2.gz LQTBZRBLZJTMGE-HUUCEWRRSA-N 1 0 399.488 3.009 20 5 GGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)c1 ZINC000246378582 1433603324 /nfs/dbraw/zinc/60/33/24/1433603324.db2.gz ZIGLMIYXPXMUIE-VQTJNVASSA-N 1 0 382.416 3.457 20 5 GGBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000246403947 1433607829 /nfs/dbraw/zinc/60/78/29/1433607829.db2.gz RASWRODRBIWTGB-UWJYYQICSA-N 1 0 396.491 3.467 20 5 GGBDRO O=C(C[C@@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000246429290 1433611770 /nfs/dbraw/zinc/61/17/70/1433611770.db2.gz DAGVWTIZERDOAD-HOCLYGCPSA-N 1 0 390.461 3.133 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)o2)cc1 ZINC000246477608 1433618816 /nfs/dbraw/zinc/61/88/16/1433618816.db2.gz GIMHMSXPVDQQRR-MAUKXSAKSA-N 1 0 383.452 3.094 20 5 GGBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000246524425 1433625257 /nfs/dbraw/zinc/62/52/57/1433625257.db2.gz CGBMJXHJXHYDOJ-SJLPKXTDSA-N 1 0 395.525 3.011 20 5 GGBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000246535458 1433626796 /nfs/dbraw/zinc/62/67/96/1433626796.db2.gz JOSJGTVTQDXKFQ-FTRWYGJKSA-N 1 0 386.496 3.179 20 5 GGBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000246541481 1433628003 /nfs/dbraw/zinc/62/80/03/1433628003.db2.gz GLMSBTZRRVMYTH-WMLDXEAASA-N 1 0 386.477 3.275 20 5 GGBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000246590866 1433636314 /nfs/dbraw/zinc/63/63/14/1433636314.db2.gz IMHHUXNLSWYODA-YOEHRIQHSA-N 1 0 386.477 3.275 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(SC)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246666070 1433647069 /nfs/dbraw/zinc/64/70/69/1433647069.db2.gz AYEAJAZNCCREHW-WMLDXEAASA-N 1 0 395.525 3.184 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246716152 1433654535 /nfs/dbraw/zinc/65/45/35/1433654535.db2.gz GAPYSZJXOQJEHY-BBRMVZONSA-N 1 0 383.876 3.115 20 5 GGBDRO CCCN(C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000246741743 1433658501 /nfs/dbraw/zinc/65/85/01/1433658501.db2.gz GWBKZDRQXAKBOD-NUJGCVRESA-N 1 0 388.512 3.291 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000246759523 1433661125 /nfs/dbraw/zinc/66/11/25/1433661125.db2.gz KDUJUICTMNRYEX-SUMWQHHRSA-N 1 0 383.876 3.115 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000246759508 1433661156 /nfs/dbraw/zinc/66/11/56/1433661156.db2.gz KDUJUICTMNRYEX-GUYCJALGSA-N 1 0 383.876 3.115 20 5 GGBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2)cc1 ZINC000246796814 1433668501 /nfs/dbraw/zinc/66/85/01/1433668501.db2.gz MPLSCPMXUKBRAY-YJBOKZPZSA-N 1 0 383.452 3.094 20 5 GGBDRO COc1cc(C[N@H+](C)C[C@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000246815231 1433672804 /nfs/dbraw/zinc/67/28/04/1433672804.db2.gz REXRAIRGCUFBEF-BXUZGUMPSA-N 1 0 392.374 3.137 20 5 GGBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000247204640 1433690573 /nfs/dbraw/zinc/69/05/73/1433690573.db2.gz CDSULLUPYGZRSG-QZTJIDSGSA-N 1 0 378.860 3.423 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000247284330 1433699975 /nfs/dbraw/zinc/69/99/75/1433699975.db2.gz SQYDISFUVSHYNY-DOTOQJQBSA-N 1 0 378.473 3.162 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247336901 1433709062 /nfs/dbraw/zinc/70/90/62/1433709062.db2.gz YUKHRPUFFSVDLM-FCEWJHQRSA-N 1 0 392.500 3.092 20 5 GGBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000247342624 1433710233 /nfs/dbraw/zinc/71/02/33/1433710233.db2.gz JNIDRJRGSJBNNA-QVDMIQRCSA-N 1 0 382.464 3.063 20 5 GGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000247442363 1433722665 /nfs/dbraw/zinc/72/26/65/1433722665.db2.gz OJHDSFFLJFNRJX-JIPZTSHUSA-N 1 0 397.475 3.490 20 5 GGBDRO CCC1(CC)[C@H]([NH2+][C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1OC ZINC000247970814 1433759868 /nfs/dbraw/zinc/75/98/68/1433759868.db2.gz JFYNJBLVXFYPEN-JLZZUVOBSA-N 1 0 379.457 3.114 20 5 GGBDRO CCC1(CC)[C@H]([NH2+][C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@H]1OC ZINC000247970809 1433759993 /nfs/dbraw/zinc/75/99/93/1433759993.db2.gz JFYNJBLVXFYPEN-CSMYWGQOSA-N 1 0 379.457 3.114 20 5 GGBDRO Nc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000247966340 1433760066 /nfs/dbraw/zinc/76/00/66/1433760066.db2.gz GVUINDNAZXSLTE-AZUAARDMSA-N 1 0 394.475 3.304 20 5 GGBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)CC[C@H]21 ZINC000248179095 1433777737 /nfs/dbraw/zinc/77/77/37/1433777737.db2.gz WCFSFRJNFOGHJU-RHSMWYFYSA-N 1 0 386.477 3.275 20 5 GGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC000248400725 1433797104 /nfs/dbraw/zinc/79/71/04/1433797104.db2.gz YCBPREUIYTWGLC-XYJFISCASA-N 1 0 391.512 3.168 20 5 GGBDRO Cc1ccc([C@H]2CSCC[N@@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000248450651 1433803755 /nfs/dbraw/zinc/80/37/55/1433803755.db2.gz IRSPJLDXGNEJQX-IEBWSBKVSA-N 1 0 388.489 3.433 20 5 GGBDRO Cc1nc2c(s1)[C@@H]([N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC000248464020 1433805123 /nfs/dbraw/zinc/80/51/23/1433805123.db2.gz QXQSWMVRUPETKI-CJNGLKHVSA-N 1 0 377.466 3.109 20 5 GGBDRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000248472261 1433805233 /nfs/dbraw/zinc/80/52/33/1433805233.db2.gz WDIJZRQIJZIKPH-MOPGFXCFSA-N 1 0 385.464 3.238 20 5 GGBDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000248472262 1433805290 /nfs/dbraw/zinc/80/52/90/1433805290.db2.gz WDIJZRQIJZIKPH-RTBURBONSA-N 1 0 385.464 3.238 20 5 GGBDRO C[N@@H+]1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccccc1 ZINC000248628250 1433812366 /nfs/dbraw/zinc/81/23/66/1433812366.db2.gz QMNUCOAVUUNCNS-ZWKOTPCHSA-N 1 0 388.855 3.493 20 5 GGBDRO CCc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000248736804 1433818878 /nfs/dbraw/zinc/81/88/78/1433818878.db2.gz BTJTWHJRCSDLOX-GOEBONIOSA-N 1 0 385.468 3.005 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000248823579 1433824144 /nfs/dbraw/zinc/82/41/44/1433824144.db2.gz LQHPBRNHGVOHNP-YCRPNKLZSA-N 1 0 392.459 3.255 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000248877497 1433827255 /nfs/dbraw/zinc/82/72/55/1433827255.db2.gz RHJIMXSZVDERKV-FUHWJXTLSA-N 1 0 383.448 3.000 20 5 GGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000248916174 1433829520 /nfs/dbraw/zinc/82/95/20/1433829520.db2.gz WCCWTUDVLXQJJG-VQIMIIECSA-N 1 0 382.464 3.257 20 5 GGBDRO C[C@H](NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000248929925 1433829668 /nfs/dbraw/zinc/82/96/68/1433829668.db2.gz XQLUJQJNGIZZPB-TWOQFEAHSA-N 1 0 382.464 3.476 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000248999815 1433831883 /nfs/dbraw/zinc/83/18/83/1433831883.db2.gz IHRZIXDNSCXELZ-QRQLOZEOSA-N 1 0 392.839 3.108 20 5 GGBDRO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000249078870 1433834180 /nfs/dbraw/zinc/83/41/80/1433834180.db2.gz RHTLRSDHMDYPKB-NBHSMZAVSA-N 1 0 391.374 3.320 20 5 GGBDRO NC(=O)c1ccc(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000253615114 1433870632 /nfs/dbraw/zinc/87/06/32/1433870632.db2.gz ONEVOCCIGFTTJV-UHFFFAOYSA-N 1 0 388.855 3.424 20 5 GGBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000255766375 1433889192 /nfs/dbraw/zinc/88/91/92/1433889192.db2.gz DOKLCBABFZUQRU-UTCJRWHESA-N 1 0 387.402 3.195 20 5 GGBDRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000261442577 1433896303 /nfs/dbraw/zinc/89/63/03/1433896303.db2.gz YSFBZFLCGRKBCR-OWCLPIDISA-N 1 0 376.501 3.147 20 5 GGBDRO CCOc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000261618478 1433897408 /nfs/dbraw/zinc/89/74/08/1433897408.db2.gz BZDPFKMLLIMGDX-KRWDZBQOSA-N 1 0 389.839 3.434 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000261667350 1433898471 /nfs/dbraw/zinc/89/84/71/1433898471.db2.gz ITYRAJOTQNPFNZ-GOSISDBHSA-N 1 0 388.855 3.142 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000261675974 1433898924 /nfs/dbraw/zinc/89/89/24/1433898924.db2.gz GPKFESBPJGWKEY-QGZVFWFLSA-N 1 0 388.855 3.142 20 5 GGBDRO COc1cc(CN2CC[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000261718477 1433899845 /nfs/dbraw/zinc/89/98/45/1433899845.db2.gz JECMWPNIGQWWGS-NRFANRHFSA-N 1 0 385.464 3.353 20 5 GGBDRO COc1cc(CN2CC[C@@](C)(C[NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000261739271 1433900776 /nfs/dbraw/zinc/90/07/76/1433900776.db2.gz KKSGQDGBCIPNJA-NRFANRHFSA-N 1 0 385.464 3.353 20 5 GGBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261754677 1433901514 /nfs/dbraw/zinc/90/15/14/1433901514.db2.gz PPSJEJXGFAMPGJ-LLVKDONJSA-N 1 0 375.425 3.499 20 5 GGBDRO C[NH2+][C@@H](C)Cc1noc(-c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)n1 ZINC000261846058 1433906843 /nfs/dbraw/zinc/90/68/43/1433906843.db2.gz SKMFOZMWOOOMKM-QMMMGPOBSA-N 1 0 397.222 3.288 20 5 GGBDRO COc1cc(C(=O)N2CC[NH2+]C[C@H]2c2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000261965398 1433916912 /nfs/dbraw/zinc/91/69/12/1433916912.db2.gz LGRFVWARHMVXRW-INIZCTEOSA-N 1 0 375.812 3.044 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000261981563 1433919053 /nfs/dbraw/zinc/91/90/53/1433919053.db2.gz OEAGTGRKCUFPAQ-ZIAGYGMSSA-N 1 0 385.420 3.205 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000262004848 1433921347 /nfs/dbraw/zinc/92/13/47/1433921347.db2.gz NTSRIEYXRKRLQJ-FQEVSTJZSA-N 1 0 385.420 3.207 20 5 GGBDRO C[NH2+][C@H]1CCCN(Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000262034373 1433923859 /nfs/dbraw/zinc/92/38/59/1433923859.db2.gz OJLNJJCWVPCFSI-SFHVURJKSA-N 1 0 385.464 3.366 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N3CC[C@](C)(C[NH3+])C3)cc2[N+](=O)[O-])n1 ZINC000262078685 1433925981 /nfs/dbraw/zinc/92/59/81/1433925981.db2.gz SYACTOUXHLOPJR-QGZVFWFLSA-N 1 0 392.506 3.322 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000262179403 1433929753 /nfs/dbraw/zinc/92/97/53/1433929753.db2.gz IMLWPBLEMAODSW-QGZVFWFLSA-N 1 0 388.855 3.142 20 5 GGBDRO O=C(NC1CC[NH2+]CC1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000262493896 1433941454 /nfs/dbraw/zinc/94/14/54/1433941454.db2.gz BFEZXTQGMULVSJ-UHFFFAOYSA-N 1 0 388.855 3.342 20 5 GGBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2[N+](=O)[O-])C1 ZINC000262518666 1433942204 /nfs/dbraw/zinc/94/22/04/1433942204.db2.gz WGAOPVUKBDFJEZ-SUQXETJPSA-N 1 0 386.496 3.090 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000262588291 1433944956 /nfs/dbraw/zinc/94/49/56/1433944956.db2.gz PYVJEELOXJYAOL-JLJPHGGASA-N 1 0 383.452 3.020 20 5 GGBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000262613081 1433946426 /nfs/dbraw/zinc/94/64/26/1433946426.db2.gz ZDIVERDJLVOODJ-HOCLYGCPSA-N 1 0 385.468 3.266 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-])c1ccccn1 ZINC000262626816 1433946837 /nfs/dbraw/zinc/94/68/37/1433946837.db2.gz KWSMLTZHNRTEHC-UAGQMJEPSA-N 1 0 395.463 3.129 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N3CC[NH2+][C@@H](C)[C@@H]3C)cc2[N+](=O)[O-])n1 ZINC000262691797 1433950536 /nfs/dbraw/zinc/95/05/36/1433950536.db2.gz AAANGWBCYJQCSV-RYUDHWBXSA-N 1 0 392.506 3.333 20 5 GGBDRO Nc1c(C(=O)N(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000262866646 1433962691 /nfs/dbraw/zinc/96/26/91/1433962691.db2.gz CEOMCYONIPNGIS-MRXNPFEDSA-N 1 0 386.477 3.023 20 5 GGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262899955 1433965386 /nfs/dbraw/zinc/96/53/86/1433965386.db2.gz IAAPBKHCOMSGSQ-GOSISDBHSA-N 1 0 385.489 3.370 20 5 GGBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000262939018 1433968541 /nfs/dbraw/zinc/96/85/41/1433968541.db2.gz UIWUUEBEKMOZQP-KGLIPLIRSA-N 1 0 385.420 3.266 20 5 GGBDRO CN(C)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000263771368 1434031639 /nfs/dbraw/zinc/03/16/39/1434031639.db2.gz CWLJKCVGLIEQNG-SFHVURJKSA-N 1 0 385.493 3.449 20 5 GGBDRO COCCOc1ccccc1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000263780494 1434032962 /nfs/dbraw/zinc/03/29/62/1434032962.db2.gz FQJPCZDJRDHFIX-UHFFFAOYSA-N 1 0 396.447 3.310 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000263886512 1434045651 /nfs/dbraw/zinc/04/56/51/1434045651.db2.gz PLNUCPAACIEOGW-UHFFFAOYSA-N 1 0 391.468 3.286 20 5 GGBDRO CN(C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000263891754 1434046350 /nfs/dbraw/zinc/04/63/50/1434046350.db2.gz AZNMQIKLVRJZQO-UHFFFAOYSA-N 1 0 383.452 3.161 20 5 GGBDRO Cc1c(NC(=O)CC[NH+]2CCC(C(=O)OC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000263900772 1434047298 /nfs/dbraw/zinc/04/72/98/1434047298.db2.gz ZQJSJGWWUCAFBE-UHFFFAOYSA-N 1 0 391.468 3.286 20 5 GGBDRO C[NH+]1CCC(Nc2ccccc2NC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000263942645 1434051487 /nfs/dbraw/zinc/05/14/87/1434051487.db2.gz VFUVURAQBJVZGR-UHFFFAOYSA-N 1 0 384.436 3.118 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000264139431 1434075020 /nfs/dbraw/zinc/07/50/20/1434075020.db2.gz JSBMRKKFEQAFLP-DOTOQJQBSA-N 1 0 397.479 3.329 20 5 GGBDRO O=C(NCCCCCCC[NH+]1CCCC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000264148540 1434075972 /nfs/dbraw/zinc/07/59/72/1434075972.db2.gz HLFKCANGWAOYKG-UHFFFAOYSA-N 1 0 391.468 3.142 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1SC ZINC000264240261 1434086187 /nfs/dbraw/zinc/08/61/87/1434086187.db2.gz ZEKQBWUKIJWLDY-UHFFFAOYSA-N 1 0 393.509 3.416 20 5 GGBDRO CS(=O)(=O)c1ccc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c([N+](=O)[O-])c1 ZINC000264325817 1434097626 /nfs/dbraw/zinc/09/76/26/1434097626.db2.gz RLWLNEIRAUMWGY-INIZCTEOSA-N 1 0 395.525 3.091 20 5 GGBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264586641 1434131270 /nfs/dbraw/zinc/13/12/70/1434131270.db2.gz KSDAROOKVUEQBV-GOSISDBHSA-N 1 0 389.499 3.242 20 5 GGBDRO C[NH+](C)C1(CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCCCCC1 ZINC000264625511 1434136582 /nfs/dbraw/zinc/13/65/82/1434136582.db2.gz MQNWQPOXOZSCBI-UHFFFAOYSA-N 1 0 386.452 3.233 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@H]3[C@@H](O)C(F)(F)F)o2)c1 ZINC000264753362 1434151860 /nfs/dbraw/zinc/15/18/60/1434151860.db2.gz XCQZHQLCXKRQDV-XJKSGUPXSA-N 1 0 385.342 3.180 20 5 GGBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000264907029 1434163848 /nfs/dbraw/zinc/16/38/48/1434163848.db2.gz DFHHEDKFZWIYBQ-UHFFFAOYSA-N 1 0 383.448 3.210 20 5 GGBDRO CCN(CC)C(=O)CCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264948658 1434167015 /nfs/dbraw/zinc/16/70/15/1434167015.db2.gz JPXKJLIIHDUZRU-UHFFFAOYSA-N 1 0 376.482 3.457 20 5 GGBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000264961980 1434168320 /nfs/dbraw/zinc/16/83/20/1434168320.db2.gz ZTCMSIJZBDQUFW-GJZGRUSLSA-N 1 0 385.468 3.233 20 5 GGBDRO CC[NH+]1CCC(n2nccc2NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000265011022 1434174318 /nfs/dbraw/zinc/17/43/18/1434174318.db2.gz QELYIJLWRQWDJC-UHFFFAOYSA-N 1 0 382.424 3.182 20 5 GGBDRO C[NH+](C)C1(CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CCOCC1 ZINC000265064046 1434180291 /nfs/dbraw/zinc/18/02/91/1434180291.db2.gz NTLXGEDVYNPLPE-UHFFFAOYSA-N 1 0 392.334 3.045 20 5 GGBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC([NH+]2CCCCC2)CC1 ZINC000265277474 1434211366 /nfs/dbraw/zinc/21/13/66/1434211366.db2.gz QHUFBEVIGSUYCY-UHFFFAOYSA-N 1 0 395.887 3.494 20 5 GGBDRO CC(=O)c1ccc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)c([N+](=O)[O-])c1 ZINC000265371307 1434225708 /nfs/dbraw/zinc/22/57/08/1434225708.db2.gz AMDSARNGQDPKDP-ZDUSSCGKSA-N 1 0 387.465 3.342 20 5 GGBDRO CC(=O)c1ccc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)c([N+](=O)[O-])c1 ZINC000265371305 1434225878 /nfs/dbraw/zinc/22/58/78/1434225878.db2.gz AMDSARNGQDPKDP-CYBMUJFWSA-N 1 0 387.465 3.342 20 5 GGBDRO Cn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000265386368 1434227909 /nfs/dbraw/zinc/22/79/09/1434227909.db2.gz DXKSGKNEGLPYGU-VIFPVBQESA-N 1 0 387.387 3.360 20 5 GGBDRO CC(C)n1c(Sc2nc3sccn3c2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000265435133 1434234314 /nfs/dbraw/zinc/23/43/14/1434234314.db2.gz GPUBDPQPMLPOGF-SNVBAGLBSA-N 1 0 393.498 3.095 20 5 GGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000265619857 1434250881 /nfs/dbraw/zinc/25/08/81/1434250881.db2.gz AULNQDIGDMHBSC-KRWDZBQOSA-N 1 0 394.431 3.000 20 5 GGBDRO O=C(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000265735135 1434261244 /nfs/dbraw/zinc/26/12/44/1434261244.db2.gz DAMXDCZWFONMAD-UHFFFAOYSA-N 1 0 393.440 3.069 20 5 GGBDRO COc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(O)cc3)CC2)cc1[N+](=O)[O-] ZINC000265975763 1434291038 /nfs/dbraw/zinc/29/10/38/1434291038.db2.gz BKRZZWFJCFHAHR-UHFFFAOYSA-N 1 0 385.420 3.160 20 5 GGBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)c1cccs1 ZINC000266085039 1434302310 /nfs/dbraw/zinc/30/23/10/1434302310.db2.gz CEFQYQUXLYKJJF-HNNXBMFYSA-N 1 0 376.438 3.328 20 5 GGBDRO CCC[C@H](CCO)C[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000266273178 1434315343 /nfs/dbraw/zinc/31/53/43/1434315343.db2.gz CMYTXPGAYBTRNQ-GFCCVEGCSA-N 1 0 394.390 3.433 20 5 GGBDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000266280048 1434315937 /nfs/dbraw/zinc/31/59/37/1434315937.db2.gz FYNUQMXHSBVLDB-OBJOEFQTSA-N 1 0 390.465 3.060 20 5 GGBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CCc2sccc2C1 ZINC000266431244 1434335682 /nfs/dbraw/zinc/33/56/82/1434335682.db2.gz UHDIAXKRBZICMJ-UHFFFAOYSA-N 1 0 388.449 3.083 20 5 GGBDRO COc1ccc(OCC[NH+]2CCC(c3noc(C(C)C)n3)CC2)c([N+](=O)[O-])c1 ZINC000266522378 1434346356 /nfs/dbraw/zinc/34/63/56/1434346356.db2.gz IVXADPQFGWXZBL-UHFFFAOYSA-N 1 0 390.440 3.368 20 5 GGBDRO CC(=O)N1CCN(c2ccccc2C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000266907714 1434387533 /nfs/dbraw/zinc/38/75/33/1434387533.db2.gz VLQJZQNRUDELQO-MRXNPFEDSA-N 1 0 382.464 3.114 20 5 GGBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000267019842 1434399445 /nfs/dbraw/zinc/39/94/45/1434399445.db2.gz CADKZKMGVGVYHU-CYBMUJFWSA-N 1 0 395.419 3.197 20 5 GGBDRO COc1cc(-c2nc(-c3ccc(C[NH+](C)C)cc3)no2)cc([N+](=O)[O-])c1OC ZINC000267079158 1434405903 /nfs/dbraw/zinc/40/59/03/1434405903.db2.gz PTMQRXOYUMANAR-UHFFFAOYSA-N 1 0 384.392 3.391 20 5 GGBDRO COc1cc(OCc2nc(-c3ccc(C[NH+](C)C)cc3)no2)ccc1[N+](=O)[O-] ZINC000267096500 1434407170 /nfs/dbraw/zinc/40/71/70/1434407170.db2.gz UTWLLBKJLPPNDU-UHFFFAOYSA-N 1 0 384.392 3.294 20 5 GGBDRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000267134556 1434409686 /nfs/dbraw/zinc/40/96/86/1434409686.db2.gz GEBLFHJRTCPKGL-UHFFFAOYSA-N 1 0 380.404 3.130 20 5 GGBDRO Cc1ccc(NC(=O)C(=O)NCCCCCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000267343326 1434424460 /nfs/dbraw/zinc/42/44/60/1434424460.db2.gz IWCMKOLGSNNXTM-UHFFFAOYSA-N 1 0 390.484 3.004 20 5 GGBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@H](C)C1 ZINC000267442413 1434433657 /nfs/dbraw/zinc/43/36/57/1434433657.db2.gz CIUYJZURIFGLMS-CJNGLKHVSA-N 1 0 383.876 3.115 20 5 GGBDRO Cn1cc([C@H]2CN(Cc3cc(=O)oc4ccc5ccccc5c34)CCO2)cn1 ZINC000267626924 1434450972 /nfs/dbraw/zinc/45/09/72/1434450972.db2.gz RRVCLXJZDXTJHT-HXUWFJFHSA-N 1 0 375.428 3.253 20 5 GGBDRO Cc1ccc([C@H](C)NC(=O)N2CCC(OCCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000268013404 1434486888 /nfs/dbraw/zinc/48/68/88/1434486888.db2.gz KDTAYSAXSDQMKY-INIZCTEOSA-N 1 0 392.500 3.107 20 5 GGBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NC1CC[NH+](C2CCCC2)CC1 ZINC000268151205 1434498032 /nfs/dbraw/zinc/49/80/32/1434498032.db2.gz WPITVGAJNFJSRO-UHFFFAOYSA-N 1 0 380.876 3.454 20 5 GGBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000268285831 1434508554 /nfs/dbraw/zinc/50/85/54/1434508554.db2.gz YXLLPXPRPMNGBT-GOSISDBHSA-N 1 0 391.515 3.249 20 5 GGBDRO CC1(C2CC[NH+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)OCCO1 ZINC000268486575 1434526686 /nfs/dbraw/zinc/52/66/86/1434526686.db2.gz QFVGPHKSIUNBNF-UHFFFAOYSA-N 1 0 387.436 3.267 20 5 GGBDRO CC[C@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000268780794 1434556538 /nfs/dbraw/zinc/55/65/38/1434556538.db2.gz AHHWIYLSBWATFL-FQEVSTJZSA-N 1 0 383.448 3.308 20 5 GGBDRO COc1cccc(OC)c1OC[C@@H](O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000268831550 1434562283 /nfs/dbraw/zinc/56/22/83/1434562283.db2.gz KNNXFXRSVAWMPB-ZBFHGGJFSA-N 1 0 390.436 3.011 20 5 GGBDRO CS(=O)(=O)Nc1ccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000268857949 1434565104 /nfs/dbraw/zinc/56/51/04/1434565104.db2.gz VABVKWHAZWBDAB-GOSISDBHSA-N 1 0 389.477 3.077 20 5 GGBDRO CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000268897542 1434568791 /nfs/dbraw/zinc/56/87/91/1434568791.db2.gz ZIYXZGOEEMKGOU-KRWDZBQOSA-N 1 0 396.491 3.423 20 5 GGBDRO CC[C@H]([NH2+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000268939459 1434573342 /nfs/dbraw/zinc/57/33/42/1434573342.db2.gz ZSUSFSJVRBNXDI-ICSRJNTNSA-N 1 0 380.448 3.474 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000269003556 1434580555 /nfs/dbraw/zinc/58/05/55/1434580555.db2.gz VKDYCZLCNTZMQR-FUHWJXTLSA-N 1 0 382.464 3.034 20 5 GGBDRO Cc1csc(Sc2ccc(C(=O)N3CC[C@@H]([NH3+])[C@H](C)C3)cc2[N+](=O)[O-])n1 ZINC000269173465 1434601352 /nfs/dbraw/zinc/60/13/52/1434601352.db2.gz AWESXDAMLCMBDF-ZWNOBZJWSA-N 1 0 392.506 3.320 20 5 GGBDRO COc1cc(C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc([N+](=O)[O-])c1OC ZINC000269185905 1434603900 /nfs/dbraw/zinc/60/39/00/1434603900.db2.gz STBZLRXRRGTNRV-MRXNPFEDSA-N 1 0 387.436 3.165 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000269199417 1434606311 /nfs/dbraw/zinc/60/63/11/1434606311.db2.gz MHBZICLURPNYNK-YQQAZPJKSA-N 1 0 397.479 3.281 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000269243293 1434612940 /nfs/dbraw/zinc/61/29/40/1434612940.db2.gz DCZIKSKBLQVCER-QILLFSRXSA-N 1 0 397.479 3.410 20 5 GGBDRO COCc1cc([N+](=O)[O-])ccc1NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000269370258 1434632616 /nfs/dbraw/zinc/63/26/16/1434632616.db2.gz RTXDOFJOBGMLFO-UHFFFAOYSA-N 1 0 385.464 3.310 20 5 GGBDRO CC(C)c1n[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000269456182 1434648562 /nfs/dbraw/zinc/64/85/62/1434648562.db2.gz HARBAGRSRYXTBD-ZBFHGGJFSA-N 1 0 385.468 3.082 20 5 GGBDRO CC(C)c1n[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000269456179 1434648680 /nfs/dbraw/zinc/64/86/80/1434648680.db2.gz HARBAGRSRYXTBD-HOCLYGCPSA-N 1 0 385.468 3.082 20 5 GGBDRO Cc1c(CC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)cccc1[N+](=O)[O-] ZINC000269647981 1434666671 /nfs/dbraw/zinc/66/66/71/1434666671.db2.gz ZVZYAPIJFCLVCS-UHFFFAOYSA-N 1 0 397.479 3.010 20 5 GGBDRO COc1cc([C@@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000269692287 1434669536 /nfs/dbraw/zinc/66/95/36/1434669536.db2.gz VKLZTFUJIHJDCE-WBMJQRKESA-N 1 0 376.409 3.005 20 5 GGBDRO COc1cc([C@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000269692284 1434669558 /nfs/dbraw/zinc/66/95/58/1434669558.db2.gz VKLZTFUJIHJDCE-LRDDRELGSA-N 1 0 376.409 3.005 20 5 GGBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000270045754 1434696219 /nfs/dbraw/zinc/69/62/19/1434696219.db2.gz TUZPHBWCRMGDAT-PBXWNFIWSA-N 1 0 379.844 3.122 20 5 GGBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000270045759 1434696234 /nfs/dbraw/zinc/69/62/34/1434696234.db2.gz TUZPHBWCRMGDAT-SPGJAERMSA-N 1 0 379.844 3.122 20 5 GGBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000270045750 1434696280 /nfs/dbraw/zinc/69/62/80/1434696280.db2.gz TUZPHBWCRMGDAT-GDJRKYJOSA-N 1 0 379.844 3.122 20 5 GGBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)C2)CC1 ZINC000270055669 1434697380 /nfs/dbraw/zinc/69/73/80/1434697380.db2.gz DFWGUHWGLFHIEY-CQSZACIVSA-N 1 0 380.876 3.122 20 5 GGBDRO C[NH+]1CCC([C@H]2CCN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000270074811 1434699505 /nfs/dbraw/zinc/69/95/05/1434699505.db2.gz HLFBEJYSAMUUBT-HNNXBMFYSA-N 1 0 395.887 3.207 20 5 GGBDRO Cc1c(C(=O)Nc2cc(C)cc(C[NH+](C)C)c2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000270351792 1434725596 /nfs/dbraw/zinc/72/55/96/1434725596.db2.gz CKGNOQBULXNIHC-UHFFFAOYSA-N 1 0 394.435 3.106 20 5 GGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c2c(c1)COCO2 ZINC000270464295 1434735539 /nfs/dbraw/zinc/73/55/39/1434735539.db2.gz MMMAAACTWQJZPW-QGZVFWFLSA-N 1 0 394.431 3.476 20 5 GGBDRO CC(C)N1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)CC1 ZINC000270478323 1434737099 /nfs/dbraw/zinc/73/70/99/1434737099.db2.gz OTKCPWZDOYCINY-UHFFFAOYSA-N 1 0 383.496 3.138 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000270609443 1434749858 /nfs/dbraw/zinc/74/98/58/1434749858.db2.gz NXIYDKGJMMLLJV-UHFFFAOYSA-N 1 0 383.514 3.182 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCN(c4cncc(F)c4)CC3)o2)c1 ZINC000270901451 1434786416 /nfs/dbraw/zinc/78/64/16/1434786416.db2.gz MPEBZLNOISWMHN-UHFFFAOYSA-N 1 0 397.410 3.149 20 5 GGBDRO COCC[N@H+](C)CCCC1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000270957818 1434790775 /nfs/dbraw/zinc/79/07/75/1434790775.db2.gz NRMIDQOJQPSBBY-UHFFFAOYSA-N 1 0 391.512 3.124 20 5 GGBDRO Cn1cc(CN2CCC([NH+]3CCCCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000271029913 1434797114 /nfs/dbraw/zinc/79/71/14/1434797114.db2.gz GMQHFFXHEMHLHJ-UHFFFAOYSA-N 1 0 383.496 3.446 20 5 GGBDRO CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000271118164 1434803039 /nfs/dbraw/zinc/80/30/39/1434803039.db2.gz CYKUMEVMEQLSSJ-SFHVURJKSA-N 1 0 392.452 3.089 20 5 GGBDRO CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000271118160 1434803075 /nfs/dbraw/zinc/80/30/75/1434803075.db2.gz CYKUMEVMEQLSSJ-GOSISDBHSA-N 1 0 392.452 3.089 20 5 GGBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000271137531 1434804192 /nfs/dbraw/zinc/80/41/92/1434804192.db2.gz NMIAPSNDIOUBFF-CYBMUJFWSA-N 1 0 393.465 3.216 20 5 GGBDRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000271411301 1434822844 /nfs/dbraw/zinc/82/28/44/1434822844.db2.gz AQDRYXQUFMEIOQ-CQSZACIVSA-N 1 0 377.466 3.250 20 5 GGBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000271470367 1434827350 /nfs/dbraw/zinc/82/73/50/1434827350.db2.gz SJYYVODRBOEELF-UHFFFAOYSA-N 1 0 397.435 3.275 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000271759642 1434848424 /nfs/dbraw/zinc/84/84/24/1434848424.db2.gz CJQDROHAQHOBBK-UONOGXRCSA-N 1 0 398.419 3.229 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000271786852 1434850668 /nfs/dbraw/zinc/85/06/68/1434850668.db2.gz JCNYGLGNTMLAES-UONOGXRCSA-N 1 0 398.419 3.229 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000271803567 1434851772 /nfs/dbraw/zinc/85/17/72/1434851772.db2.gz LTKZNHUENUWMNS-LOKFHWFJSA-N 1 0 389.477 3.320 20 5 GGBDRO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCOC2=O)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000271821853 1434852769 /nfs/dbraw/zinc/85/27/69/1434852769.db2.gz QGVKXVXZLJTBNK-ZIAGYGMSSA-N 1 0 398.419 3.229 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000271834074 1434853588 /nfs/dbraw/zinc/85/35/88/1434853588.db2.gz SKKAEGVEAPWDBO-UONOGXRCSA-N 1 0 398.419 3.229 20 5 GGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(N2CCOC2=O)c1 ZINC000271848193 1434854523 /nfs/dbraw/zinc/85/45/23/1434854523.db2.gz VZWUKLAJBWEPSF-KGLIPLIRSA-N 1 0 398.419 3.229 20 5 GGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000271855558 1434855102 /nfs/dbraw/zinc/85/51/02/1434855102.db2.gz XSDCLYFDYVKMTA-AWEZNQCLSA-N 1 0 398.419 3.149 20 5 GGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000271865593 1434855736 /nfs/dbraw/zinc/85/57/36/1434855736.db2.gz UZONHWVWUVIEMU-AWEZNQCLSA-N 1 0 396.447 3.102 20 5 GGBDRO Cc1nn(C)c(C(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000272269787 1434882969 /nfs/dbraw/zinc/88/29/69/1434882969.db2.gz RQNQSYDDIOPSDN-RHSMWYFYSA-N 1 0 387.484 3.132 20 5 GGBDRO COc1cc(C[NH2+]CCc2ccncc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272353650 1434889704 /nfs/dbraw/zinc/88/97/04/1434889704.db2.gz DOZOMFWRNGBKMS-UHFFFAOYSA-N 1 0 381.379 3.283 20 5 GGBDRO C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272386279 1434892839 /nfs/dbraw/zinc/89/28/39/1434892839.db2.gz WCLAUXRZUQNJQE-WMZOPIPTSA-N 1 0 383.448 3.000 20 5 GGBDRO COc1cc(C[NH2+]C[C@H](CO)c2ccccc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272465992 1434898193 /nfs/dbraw/zinc/89/81/93/1434898193.db2.gz RIQWHNSMUJPHJP-OAHLLOKOSA-N 1 0 396.390 3.113 20 5 GGBDRO Cn1ccnc1[C@H](NCC[N@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000272480061 1434899204 /nfs/dbraw/zinc/89/92/04/1434899204.db2.gz CAUCIEJIDSWJSV-HXUWFJFHSA-N 1 0 379.464 3.139 20 5 GGBDRO Cn1ccnc1[C@@H](NCC[N@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000272480055 1434899272 /nfs/dbraw/zinc/89/92/72/1434899272.db2.gz CAUCIEJIDSWJSV-FQEVSTJZSA-N 1 0 379.464 3.139 20 5 GGBDRO Cn1ccnc1[C@@H](NC[C@@H](c1cccc(F)c1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000272483128 1434899615 /nfs/dbraw/zinc/89/96/15/1434899615.db2.gz CIJRMBLQPWWVKH-PMACEKPBSA-N 1 0 397.454 3.449 20 5 GGBDRO CC(C)C[N@@H+]1CCC[C@H](CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272494710 1434900516 /nfs/dbraw/zinc/90/05/16/1434900516.db2.gz FOKRHMSECGXPNW-YLJYHZDGSA-N 1 0 385.512 3.375 20 5 GGBDRO COc1cc(CNC2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272529033 1434904530 /nfs/dbraw/zinc/90/45/30/1434904530.db2.gz ZGYAKUNXZWEQTP-UHFFFAOYSA-N 1 0 387.427 3.210 20 5 GGBDRO COc1cc(C[NH2+]CCCc2nccs2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272571837 1434909097 /nfs/dbraw/zinc/90/90/97/1434909097.db2.gz FVRQAFOYWOUFCQ-UHFFFAOYSA-N 1 0 387.408 3.426 20 5 GGBDRO Cn1ccnc1[C@@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272575028 1434909461 /nfs/dbraw/zinc/90/94/61/1434909461.db2.gz WXTBKAICAVWYNQ-CTNGQTDRSA-N 1 0 391.475 3.282 20 5 GGBDRO Cn1ccnc1[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272575050 1434909657 /nfs/dbraw/zinc/90/96/57/1434909657.db2.gz WXTBKAICAVWYNQ-TZIWHRDSSA-N 1 0 391.475 3.282 20 5 GGBDRO Cn1ccnc1[C@H](NC[C@@H](c1cccs1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000272587010 1434911172 /nfs/dbraw/zinc/91/11/72/1434911172.db2.gz ZLASKEBDHYXQAQ-FUHWJXTLSA-N 1 0 385.493 3.372 20 5 GGBDRO Cn1ccnc1[C@@H](NC[C@@H](c1cccs1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000272587018 1434911339 /nfs/dbraw/zinc/91/13/39/1434911339.db2.gz ZLASKEBDHYXQAQ-WMZOPIPTSA-N 1 0 385.493 3.372 20 5 GGBDRO C[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272732687 1434926646 /nfs/dbraw/zinc/92/66/46/1434926646.db2.gz BXOGCAHBQWVBLU-ZIAGYGMSSA-N 1 0 381.498 3.063 20 5 GGBDRO COc1ccc(NC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000272786225 1434930860 /nfs/dbraw/zinc/93/08/60/1434930860.db2.gz FUARTXPKIPOCMO-AWEZNQCLSA-N 1 0 399.451 3.346 20 5 GGBDRO COc1ccc(NC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000272786232 1434930906 /nfs/dbraw/zinc/93/09/06/1434930906.db2.gz FUARTXPKIPOCMO-CQSZACIVSA-N 1 0 399.451 3.346 20 5 GGBDRO Cc1cc(N2CCC[C@@H](c3nnc4n3CCC4)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272882500 1434938369 /nfs/dbraw/zinc/93/83/69/1434938369.db2.gz VTFBIRITBLITOT-CQSZACIVSA-N 1 0 378.436 3.373 20 5 GGBDRO COc1cc(C[NH+]2CCC(CCCO)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272910156 1434940357 /nfs/dbraw/zinc/94/03/57/1434940357.db2.gz HGSXDYYJAWWSJJ-UHFFFAOYSA-N 1 0 388.411 3.232 20 5 GGBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000272942499 1434942953 /nfs/dbraw/zinc/94/29/53/1434942953.db2.gz LFOTVMXFUWNOQN-IVAFGUPBSA-N 1 0 389.477 3.318 20 5 GGBDRO O=C(NC[C@@H]1CC[NH2+]C1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000273001905 1434948975 /nfs/dbraw/zinc/94/89/75/1434948975.db2.gz HPBOWSMTVVGEGF-GFCCVEGCSA-N 1 0 375.812 3.380 20 5 GGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000273005746 1434949150 /nfs/dbraw/zinc/94/91/50/1434949150.db2.gz IGMGWRPOGBDEJT-INIZCTEOSA-N 1 0 378.469 3.148 20 5 GGBDRO CC(C)N1CCc2nc(NC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])sc2C1 ZINC000273081846 1434958722 /nfs/dbraw/zinc/95/87/22/1434958722.db2.gz XVPUKQSSZUUZRU-UHFFFAOYSA-N 1 0 382.392 3.348 20 5 GGBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2CC(c3cccc(F)c3)C2)cc1 ZINC000273500108 1434992730 /nfs/dbraw/zinc/99/27/30/1434992730.db2.gz PFEYTPFFPYHAFC-UHFFFAOYSA-N 1 0 378.425 3.043 20 5 GGBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000273520192 1434994354 /nfs/dbraw/zinc/99/43/54/1434994354.db2.gz QJPMWBQXUINKKE-YXJHDRRASA-N 1 0 393.484 3.253 20 5 GGBDRO C[C@@H]1C[NH+](CCCCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000273856584 1435022174 /nfs/dbraw/zinc/02/21/74/1435022174.db2.gz MVPRWAIHGVVYQR-HUUCEWRRSA-N 1 0 395.475 3.017 20 5 GGBDRO O=[N+]([O-])c1ccc(Cc2noc([C@@H]3CCC[N@H+](Cc4ccccc4)C3)n2)nc1 ZINC000274104545 1435044178 /nfs/dbraw/zinc/04/41/78/1435044178.db2.gz YVKQZSCJTQOOIB-MRXNPFEDSA-N 1 0 379.420 3.343 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCc3cn4c(n3)SCC4)cs2)c1 ZINC000274271214 1435056790 /nfs/dbraw/zinc/05/67/90/1435056790.db2.gz RBBOYYKXLQBVMN-UHFFFAOYSA-N 1 0 387.490 3.353 20 5 GGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000274801321 1435093707 /nfs/dbraw/zinc/09/37/07/1435093707.db2.gz FKGQPWFRXKJNMU-UWJYYQICSA-N 1 0 396.491 3.058 20 5 GGBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000275488848 1435142910 /nfs/dbraw/zinc/14/29/10/1435142910.db2.gz KEPDPZLFGCAXHG-LBPRGKRZSA-N 1 0 385.414 3.396 20 5 GGBDRO Cn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cn1 ZINC000275574783 1435149740 /nfs/dbraw/zinc/14/97/40/1435149740.db2.gz ORCISMLVSPFYPF-ZWKOTPCHSA-N 1 0 399.476 3.462 20 5 GGBDRO C[NH+](C)CCc1ccccc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000275729727 1435163408 /nfs/dbraw/zinc/16/34/08/1435163408.db2.gz XFPRNVIWQOKLQN-UHFFFAOYSA-N 1 0 397.479 3.053 20 5 GGBDRO CC(C)c1ccc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1[N+](=O)[O-] ZINC000275905381 1435178832 /nfs/dbraw/zinc/17/88/32/1435178832.db2.gz SJLDZYKRMZDDMD-UHFFFAOYSA-N 1 0 375.469 3.093 20 5 GGBDRO CS[C@@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@@H]1[NH+](C)C ZINC000275910268 1435179217 /nfs/dbraw/zinc/17/92/17/1435179217.db2.gz DJNQHIHMZONKTR-RBUKOAKNSA-N 1 0 381.501 3.211 20 5 GGBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000276166955 1435195088 /nfs/dbraw/zinc/19/50/88/1435195088.db2.gz FKYMRNYOBZUHCR-UHFFFAOYSA-N 1 0 389.399 3.009 20 5 GGBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000276326818 1435204867 /nfs/dbraw/zinc/20/48/67/1435204867.db2.gz QQOJLIYNQCKZPW-KGLIPLIRSA-N 1 0 381.498 3.063 20 5 GGBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000276326812 1435204873 /nfs/dbraw/zinc/20/48/73/1435204873.db2.gz QQOJLIYNQCKZPW-KBPBESRZSA-N 1 0 381.498 3.063 20 5 GGBDRO CC(=O)N(C[C@@H]1CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000276669464 1435223954 /nfs/dbraw/zinc/22/39/54/1435223954.db2.gz ZDEGSXJJYAQXNH-IBGZPJMESA-N 1 0 398.463 3.268 20 5 GGBDRO CCOc1cc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)ccc1[N+](=O)[O-] ZINC000276931035 1435244237 /nfs/dbraw/zinc/24/42/37/1435244237.db2.gz QTNJFLWSIBGWLK-INIZCTEOSA-N 1 0 381.436 3.416 20 5 GGBDRO Cc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000276956824 1435246957 /nfs/dbraw/zinc/24/69/57/1435246957.db2.gz OVABHTTZAAFLIO-OXJNMPFZSA-N 1 0 399.495 3.115 20 5 GGBDRO COc1cc(C(=O)N2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)cc([N+](=O)[O-])c1C ZINC000277038064 1435255050 /nfs/dbraw/zinc/25/50/50/1435255050.db2.gz LUYPKTGMSKSCKV-INIZCTEOSA-N 1 0 398.463 3.383 20 5 GGBDRO COc1cc(CN2CCC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000277103497 1435262175 /nfs/dbraw/zinc/26/21/75/1435262175.db2.gz GRHSJTXRUDKYSC-CQSZACIVSA-N 1 0 387.427 3.163 20 5 GGBDRO CC[C@@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000277152358 1435269416 /nfs/dbraw/zinc/26/94/16/1435269416.db2.gz DXGZHPQMVXITOV-QGZVFWFLSA-N 1 0 383.514 3.228 20 5 GGBDRO Cc1ccc([C@H](C)[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000277196292 1435276932 /nfs/dbraw/zinc/27/69/32/1435276932.db2.gz JBDLTBWYFQTLEU-AWEZNQCLSA-N 1 0 383.514 3.147 20 5 GGBDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000277196295 1435276984 /nfs/dbraw/zinc/27/69/84/1435276984.db2.gz JBDLTBWYFQTLEU-CQSZACIVSA-N 1 0 383.514 3.147 20 5 GGBDRO CCC[NH+]1CCC(N(C)C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)CC1 ZINC000277274606 1435287841 /nfs/dbraw/zinc/28/78/41/1435287841.db2.gz RUWMZAPCEXYSDX-UHFFFAOYSA-N 1 0 392.456 3.028 20 5 GGBDRO Cc1c([C@H](C)[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000277289098 1435289846 /nfs/dbraw/zinc/28/98/46/1435289846.db2.gz UAWQVTNRJBSWNY-AWEZNQCLSA-N 1 0 383.514 3.147 20 5 GGBDRO Cc1c([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000277289100 1435289945 /nfs/dbraw/zinc/28/99/45/1435289945.db2.gz UAWQVTNRJBSWNY-CQSZACIVSA-N 1 0 383.514 3.147 20 5 GGBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000277325963 1435294074 /nfs/dbraw/zinc/29/40/74/1435294074.db2.gz WYLJKYSHSYSANU-UHFFFAOYSA-N 1 0 398.463 3.377 20 5 GGBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277417755 1435303230 /nfs/dbraw/zinc/30/32/30/1435303230.db2.gz CQKXUFVQDJZEMC-INIZCTEOSA-N 1 0 393.509 3.080 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@H]([C@H](O)C(F)(F)F)C3)o2)c1 ZINC000277624821 1435317166 /nfs/dbraw/zinc/31/71/66/1435317166.db2.gz ASCRXTCETRCOAP-GUYCJALGSA-N 1 0 399.369 3.428 20 5 GGBDRO O=C(CC[NH+]1CCC(CO)(Cc2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000277812147 1435332879 /nfs/dbraw/zinc/33/28/79/1435332879.db2.gz QGFIMPGZENOMFG-UHFFFAOYSA-N 1 0 397.475 3.241 20 5 GGBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1SC ZINC000277978920 1435347563 /nfs/dbraw/zinc/34/75/63/1435347563.db2.gz QLLGMTPNPGGSAP-ZDUSSCGKSA-N 1 0 379.482 3.072 20 5 GGBDRO C[C@@H]1C[N@H+](CCCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCO1 ZINC000278005625 1435349560 /nfs/dbraw/zinc/34/95/60/1435349560.db2.gz VMVOTFJSYKNJLA-OAHLLOKOSA-N 1 0 390.509 3.309 20 5 GGBDRO Cn1nccc1N1CCC[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000278106522 1435360053 /nfs/dbraw/zinc/36/00/53/1435360053.db2.gz AVKITHUJJWUTPN-HNNXBMFYSA-N 1 0 398.492 3.210 20 5 GGBDRO CCOC(=O)N1CCC([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000278307002 1435377993 /nfs/dbraw/zinc/37/79/93/1435377993.db2.gz APIQLOYGJBFKRQ-UHFFFAOYSA-N 1 0 375.347 3.324 20 5 GGBDRO Cn1cc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000278342377 1435381718 /nfs/dbraw/zinc/38/17/18/1435381718.db2.gz HTTLVPRSEUDECH-GUYCJALGSA-N 1 0 398.385 3.131 20 5 GGBDRO O=[N+]([O-])c1ccn(CC[NH2+]C2(c3cccc(C(F)(F)F)c3)CCOCC2)n1 ZINC000278410943 1435388599 /nfs/dbraw/zinc/38/85/99/1435388599.db2.gz XRPIZJNQWJTDCM-UHFFFAOYSA-N 1 0 384.358 3.106 20 5 GGBDRO Cc1cnccc1OC1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000278527839 1435397402 /nfs/dbraw/zinc/39/74/02/1435397402.db2.gz DOTINIUCNIWKCQ-UHFFFAOYSA-N 1 0 398.463 3.479 20 5 GGBDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278649941 1435410202 /nfs/dbraw/zinc/41/02/02/1435410202.db2.gz JQRPIBBBRNXKOU-ZDUSSCGKSA-N 1 0 389.456 3.350 20 5 GGBDRO COc1cc(C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c([N+](=O)[O-])cc1OC ZINC000278691360 1435414267 /nfs/dbraw/zinc/41/42/67/1435414267.db2.gz IXOTXMQJYHTKCH-HNNXBMFYSA-N 1 0 384.791 3.228 20 5 GGBDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000278729233 1435418154 /nfs/dbraw/zinc/41/81/54/1435418154.db2.gz RVAAKTHGBQFNQD-UHFFFAOYSA-N 1 0 377.485 3.114 20 5 GGBDRO Cn1cc([C@@H]2C[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C[C@H]2CO)cn1 ZINC000278813298 1435426054 /nfs/dbraw/zinc/42/60/54/1435426054.db2.gz YWONNGNPIMQYDM-LPHOPBHVSA-N 1 0 398.488 3.265 20 5 GGBDRO Cc1nn(C)c2ncc(C[NH2+]Cc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cc12 ZINC000278816058 1435426444 /nfs/dbraw/zinc/42/64/44/1435426444.db2.gz SWJFARHSVWWSSH-UHFFFAOYSA-N 1 0 379.342 3.494 20 5 GGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000278871532 1435433455 /nfs/dbraw/zinc/43/34/55/1435433455.db2.gz XWAUATGEBRBWDQ-UHFFFAOYSA-N 1 0 383.448 3.360 20 5 GGBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)nc2)c2cc([N+](=O)[O-])ccc21 ZINC000278997751 1435450528 /nfs/dbraw/zinc/45/05/28/1435450528.db2.gz FLTLCPYNMYFLQX-LJQANCHMSA-N 1 0 382.464 3.339 20 5 GGBDRO COc1cc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)ccc1OCCO ZINC000279033289 1435454292 /nfs/dbraw/zinc/45/42/92/1435454292.db2.gz ISNQKDUZSRLCAU-GOSISDBHSA-N 1 0 386.448 3.487 20 5 GGBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000279139806 1435464448 /nfs/dbraw/zinc/46/44/48/1435464448.db2.gz RUJHOWZZPBYYQR-UXHICEINSA-N 1 0 394.475 3.493 20 5 GGBDRO O=C(C[N@H+](Cc1ccc(F)cc1)C1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000279330195 1435487163 /nfs/dbraw/zinc/48/71/63/1435487163.db2.gz TVURVULWYULIEX-UHFFFAOYSA-N 1 0 387.411 3.354 20 5 GGBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000279335650 1435487768 /nfs/dbraw/zinc/48/77/68/1435487768.db2.gz PEKHPFFSAUBMQR-UHFFFAOYSA-N 1 0 398.463 3.388 20 5 GGBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000279582402 1435515591 /nfs/dbraw/zinc/51/55/91/1435515591.db2.gz CLWBYDSWFGZSBB-UHFFFAOYSA-N 1 0 397.475 3.430 20 5 GGBDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000279588159 1435516401 /nfs/dbraw/zinc/51/64/01/1435516401.db2.gz ALQYYIDEKQDZDK-UHFFFAOYSA-N 1 0 397.479 3.207 20 5 GGBDRO C[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC2(CCOCC2)O1 ZINC000279925561 1435564333 /nfs/dbraw/zinc/56/43/33/1435564333.db2.gz WMRAKEKPLUXVEK-OAHLLOKOSA-N 1 0 387.436 3.062 20 5 GGBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000279998075 1435574317 /nfs/dbraw/zinc/57/43/17/1435574317.db2.gz KXVYOWYZRBBISG-LSDHHAIUSA-N 1 0 375.469 3.376 20 5 GGBDRO Cc1nc2ccccc2n1C1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000280164161 1435602103 /nfs/dbraw/zinc/60/21/03/1435602103.db2.gz FLLOGBNPLVMPDN-UHFFFAOYSA-N 1 0 393.447 3.189 20 5 GGBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC([NH+]2CCCCC2)CC1 ZINC000280272924 1435623168 /nfs/dbraw/zinc/62/31/68/1435623168.db2.gz VDOWJOBGWJDAKT-UHFFFAOYSA-N 1 0 383.851 3.407 20 5 GGBDRO Cc1ccc([C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280689874 1435704339 /nfs/dbraw/zinc/70/43/39/1435704339.db2.gz BBJWLMNQWODLDQ-BEFAXECRSA-N 1 0 376.478 3.210 20 5 GGBDRO CN(C(=O)[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1)c1ccccc1 ZINC000280709073 1435707588 /nfs/dbraw/zinc/70/75/88/1435707588.db2.gz HJSMNVWJEUTAAG-AWEZNQCLSA-N 1 0 380.404 3.221 20 5 GGBDRO Cc1ccc([C@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])[C@@H](C)S(C)(=O)=O)cc1 ZINC000280817457 1435725502 /nfs/dbraw/zinc/72/55/02/1435725502.db2.gz NANLKICSBSQPFV-DNVCBOLYSA-N 1 0 392.477 3.046 20 5 GGBDRO COc1cc(C[N@@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000281083821 1435771128 /nfs/dbraw/zinc/77/11/28/1435771128.db2.gz JNTOCGSIHRSEQK-OAHLLOKOSA-N 1 0 399.447 3.097 20 5 GGBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000281103105 1435775169 /nfs/dbraw/zinc/77/51/69/1435775169.db2.gz VOBHAVVBXUJADP-MRXNPFEDSA-N 1 0 398.463 3.376 20 5 GGBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000281103098 1435775270 /nfs/dbraw/zinc/77/52/70/1435775270.db2.gz VOBHAVVBXUJADP-INIZCTEOSA-N 1 0 398.463 3.376 20 5 GGBDRO Cc1cc(OCC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000281115146 1435777565 /nfs/dbraw/zinc/77/75/65/1435777565.db2.gz NNJHDFDCQNGWEH-HZPDHXFCSA-N 1 0 375.469 3.051 20 5 GGBDRO CN(CCC[NH+]1CCCC1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000281153762 1435785386 /nfs/dbraw/zinc/78/53/86/1435785386.db2.gz DEXOMNZFIYKVTF-UHFFFAOYSA-N 1 0 388.390 3.241 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+][C@]3(CO)CCOc4ccccc43)o2)c1 ZINC000281446627 1435809296 /nfs/dbraw/zinc/80/92/96/1435809296.db2.gz AAFLBSMXCCCXJE-NRFANRHFSA-N 1 0 395.415 3.052 20 5 GGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CCN(c2nccs2)CC1 ZINC000281711903 1435819284 /nfs/dbraw/zinc/81/92/84/1435819284.db2.gz UBWJOBLVDDQTFR-CYBMUJFWSA-N 1 0 389.481 3.027 20 5 GGBDRO C[C@H](Nc1ccc(C(=O)N2CCC[C@H](CC[NH3+])C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000281873684 1435825037 /nfs/dbraw/zinc/82/50/37/1435825037.db2.gz FMGSRYABRVIYQE-JKSUJKDBSA-N 1 0 397.479 3.364 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000282032798 1435831871 /nfs/dbraw/zinc/83/18/71/1435831871.db2.gz TWYUARQRCLYIPQ-OAHLLOKOSA-N 1 0 376.457 3.189 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000282053153 1435832795 /nfs/dbraw/zinc/83/27/95/1435832795.db2.gz VKOAGCUFCVYQOM-HNNXBMFYSA-N 1 0 376.457 3.333 20 5 GGBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000282455794 1435847795 /nfs/dbraw/zinc/84/77/95/1435847795.db2.gz JHEOOIVKRTUUDE-HXUWFJFHSA-N 1 0 396.491 3.084 20 5 GGBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000282455788 1435847889 /nfs/dbraw/zinc/84/78/89/1435847889.db2.gz JHEOOIVKRTUUDE-FQEVSTJZSA-N 1 0 396.491 3.084 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c1 ZINC000282667818 1435855689 /nfs/dbraw/zinc/85/56/89/1435855689.db2.gz ONVZNNNMIFUOGD-UHFFFAOYSA-N 1 0 387.436 3.323 20 5 GGBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000282747352 1435858882 /nfs/dbraw/zinc/85/88/82/1435858882.db2.gz YNFMXOPZBUVYOQ-MRXNPFEDSA-N 1 0 376.482 3.143 20 5 GGBDRO CC(C)c1n[nH]c(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000283087717 1435873831 /nfs/dbraw/zinc/87/38/31/1435873831.db2.gz YSQODJGMGOXVBY-CYBMUJFWSA-N 1 0 379.848 3.127 20 5 GGBDRO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283270089 1435882202 /nfs/dbraw/zinc/88/22/02/1435882202.db2.gz LEWKFLZHYJONKL-PGGUUEOZSA-N 1 0 389.477 3.354 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)c1 ZINC000283355547 1435885842 /nfs/dbraw/zinc/88/58/42/1435885842.db2.gz ZLNLAKZHJAPNPU-OAHLLOKOSA-N 1 0 398.463 3.464 20 5 GGBDRO C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283690442 1435905039 /nfs/dbraw/zinc/90/50/39/1435905039.db2.gz ADMPNNHFSMXTTE-ZDUSSCGKSA-N 1 0 386.427 3.272 20 5 GGBDRO CC(=O)c1cc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000283734016 1435913022 /nfs/dbraw/zinc/91/30/22/1435913022.db2.gz IDWXKYFNVZPTON-GASCZTMLSA-N 1 0 375.469 3.123 20 5 GGBDRO Cc1cc(F)c(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000283846625 1435935502 /nfs/dbraw/zinc/93/55/02/1435935502.db2.gz HMAWYOFWSBZSRM-UHFFFAOYSA-N 1 0 387.415 3.223 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000283915669 1435951316 /nfs/dbraw/zinc/95/13/16/1435951316.db2.gz JUETYTZHUOZUEZ-GOSISDBHSA-N 1 0 397.475 3.288 20 5 GGBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000283915678 1435952108 /nfs/dbraw/zinc/95/21/08/1435952108.db2.gz JUETYTZHUOZUEZ-SFHVURJKSA-N 1 0 397.475 3.288 20 5 GGBDRO CSc1nnc(CCC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)n1CC(C)C ZINC000284204045 1436003719 /nfs/dbraw/zinc/00/37/19/1436003719.db2.gz SIXRTLLHPXSCEU-ZDUSSCGKSA-N 1 0 392.529 3.430 20 5 GGBDRO C[C@@H]([NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284217940 1436004662 /nfs/dbraw/zinc/00/46/62/1436004662.db2.gz TVUPSJSYWALLDN-HZPDHXFCSA-N 1 0 384.480 3.249 20 5 GGBDRO C[C@H]([NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284217937 1436004676 /nfs/dbraw/zinc/00/46/76/1436004676.db2.gz TVUPSJSYWALLDN-HOTGVXAUSA-N 1 0 384.480 3.249 20 5 GGBDRO Cc1cccc(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1[N+](=O)[O-] ZINC000284382334 1436017456 /nfs/dbraw/zinc/01/74/56/1436017456.db2.gz GBOVHTCMSPXGRZ-UHFFFAOYSA-N 1 0 383.448 3.306 20 5 GGBDRO Cc1c(CC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cccc1[N+](=O)[O-] ZINC000284673874 1436039220 /nfs/dbraw/zinc/03/92/20/1436039220.db2.gz XLLVUADKHZLMJN-UHFFFAOYSA-N 1 0 397.475 3.235 20 5 GGBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@H]4[NH2+]CC[C@H]43)c(Cl)nn2)c1 ZINC001164411156 718877260 /nfs/dbraw/zinc/87/72/60/718877260.db2.gz NEVYRWBTYIRDTA-UKRRQHHQSA-N 1 0 395.797 3.191 20 5 GGBDRO O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3[NH2+]CC[C@@H]32)c(Cl)nn1 ZINC001164411996 718877653 /nfs/dbraw/zinc/87/76/53/718877653.db2.gz SQARHMMTHOPZDE-WFASDCNBSA-N 1 0 395.797 3.191 20 5 GGBDRO [NH3+][C@@]12C[C@@H]1CCN(C(F)(F)c1cc(-c3ccc([N+](=O)[O-])cc3)nnc1Cl)C2 ZINC001164422166 718897296 /nfs/dbraw/zinc/89/72/96/718897296.db2.gz UMAJAIWWLZSEMZ-MEDUHNTESA-N 1 0 395.797 3.178 20 5 GGBDRO O=[N+]([O-])c1ccc(C(F)(F)N2C[C@H]3[NH2+]Cc4ccccc4[C@H]3C2)nc1Cl ZINC001164423650 718941163 /nfs/dbraw/zinc/94/11/63/718941163.db2.gz JCUVPGXOTKTIPY-CHWSQXEVSA-N 1 0 380.782 3.264 20 5 GGBDRO Cc1nc(Cl)nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC001164628398 719054388 /nfs/dbraw/zinc/05/43/88/719054388.db2.gz YJMDNHAOHVIFOE-JKSUJKDBSA-N 1 0 387.871 3.447 20 5 GGBDRO Cc1nc(Cl)nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC001164628392 719054403 /nfs/dbraw/zinc/05/44/03/719054403.db2.gz YJMDNHAOHVIFOE-HOTGVXAUSA-N 1 0 387.871 3.447 20 5 GGBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164629102 719063427 /nfs/dbraw/zinc/06/34/27/719063427.db2.gz VQCVZRHANGPMEN-HOTGVXAUSA-N 1 0 387.871 3.447 20 5 GGBDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncc([N+](=O)[O-])c(C)n2)CC3)cs1 ZINC001164691202 719815910 /nfs/dbraw/zinc/81/59/10/719815910.db2.gz AYWSMHMDDXYPDU-UHFFFAOYSA-N 1 0 388.497 3.093 20 5 GGBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc(C)c1[N+](=O)[O-])C2 ZINC001164811029 720097356 /nfs/dbraw/zinc/09/73/56/720097356.db2.gz NGDVLZJWGNEEKZ-BEFAXECRSA-N 1 0 394.903 3.136 20 5 GGBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc3ccc([N+](=O)[O-])cc3n1)C2 ZINC001164811376 720099053 /nfs/dbraw/zinc/09/90/53/720099053.db2.gz ODJQAXKABPBYLG-GCJKJVERSA-N 1 0 396.491 3.328 20 5 GGBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc3cccc([N+](=O)[O-])c3n1)C2 ZINC001164812528 720109200 /nfs/dbraw/zinc/10/92/00/720109200.db2.gz PBPRUDTXPUYGAE-XMSQKQJNSA-N 1 0 396.491 3.328 20 5 GGBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc3ccc([N+](=O)[O-])cc31)C2 ZINC001164818529 720155602 /nfs/dbraw/zinc/15/56/02/720155602.db2.gz TVJLVKNWLIZETP-AVRDEDQJSA-N 1 0 396.491 3.328 20 5 GGBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2c1 ZINC001164725695 720424229 /nfs/dbraw/zinc/42/42/29/720424229.db2.gz AQHYXTOWNKXUAS-PMACEKPBSA-N 1 0 375.432 3.391 20 5 GGBDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC001164734908 720533200 /nfs/dbraw/zinc/53/32/00/720533200.db2.gz LFELSUVLQDBGIR-INIZCTEOSA-N 1 0 392.463 3.051 20 5 GGBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164839174 720555807 /nfs/dbraw/zinc/55/58/07/720555807.db2.gz PSJJIQSDWPDJKG-CEXWTWQISA-N 1 0 398.511 3.181 20 5 GGBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncc(Cl)cc1[N+](=O)[O-])[C@H]2C ZINC001164858339 720924322 /nfs/dbraw/zinc/92/43/22/720924322.db2.gz MUJHTNLPNNTARY-LBPRGKRZSA-N 1 0 378.864 3.261 20 5 GGBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cnc3ccc([N+](=O)[O-])cc3n1)[C@@H]2C ZINC001164863702 720932437 /nfs/dbraw/zinc/93/24/37/720932437.db2.gz YSEOYENDBYSCNK-CQSZACIVSA-N 1 0 395.467 3.156 20 5 GGBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(Cl)cc([N+](=O)[O-])n1)[C@@H]2C ZINC001164860051 720949297 /nfs/dbraw/zinc/94/92/97/720949297.db2.gz PMJPUZUAFTXQHM-GFCCVEGCSA-N 1 0 378.864 3.261 20 5 GGBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncnc3cc([N+](=O)[O-])ccc31)[C@@H]2C ZINC001164860521 720954200 /nfs/dbraw/zinc/95/42/00/720954200.db2.gz QLXJUPQKJQPTDL-CQSZACIVSA-N 1 0 395.467 3.156 20 5 GGBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncnc3ccc([N+](=O)[O-])cc31)[C@@H]2C ZINC001164860451 720954212 /nfs/dbraw/zinc/95/42/12/720954212.db2.gz PUPKRULICZWQSC-CQSZACIVSA-N 1 0 395.467 3.156 20 5 GGBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncnc3cc([N+](=O)[O-])ccc31)[C@H]2C ZINC001164860519 720954251 /nfs/dbraw/zinc/95/42/51/720954251.db2.gz QLXJUPQKJQPTDL-AWEZNQCLSA-N 1 0 395.467 3.156 20 5 GGBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164896284 721512192 /nfs/dbraw/zinc/51/21/92/721512192.db2.gz AMYLWLMBOISGNN-ZBFHGGJFSA-N 1 0 392.818 3.124 20 5 GGBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165023995 721800842 /nfs/dbraw/zinc/80/08/42/721800842.db2.gz KPIIEKGOSAEMLG-PWIZWCRZSA-N 1 0 381.480 3.430 20 5 GGBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC001165025856 721805013 /nfs/dbraw/zinc/80/50/13/721805013.db2.gz POPAOAZGCXDZAE-JCGIZDLHSA-N 1 0 385.443 3.261 20 5 GGBDRO COc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001165026308 721805114 /nfs/dbraw/zinc/80/51/14/721805114.db2.gz QORJOLYBMHSSCZ-CGTJXYLNSA-N 1 0 397.479 3.130 20 5 GGBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(F)cc3[N+](=O)[O-])C[C@H]21 ZINC001165025857 721805182 /nfs/dbraw/zinc/80/51/82/721805182.db2.gz POPAOAZGCXDZAE-ZTFGCOKTSA-N 1 0 385.443 3.261 20 5 GGBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC001165026903 721808595 /nfs/dbraw/zinc/80/85/95/721808595.db2.gz SDKGJJOZFQGTSR-UCLAIMLFSA-N 1 0 385.443 3.261 20 5 GGBDRO COc1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)ncc1[N+](=O)[O-] ZINC001165028258 721809312 /nfs/dbraw/zinc/80/93/12/721809312.db2.gz WTDIABOSZJUGJD-SZMVWBNQSA-N 1 0 397.479 3.130 20 5 GGBDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cccc([N+](=O)[O-])n2)CC1 ZINC001165021305 721839037 /nfs/dbraw/zinc/83/90/37/721839037.db2.gz LDQYLAOWCHJSRL-UHFFFAOYSA-N 1 0 386.452 3.108 20 5 GGBDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001164928842 721860141 /nfs/dbraw/zinc/86/01/41/721860141.db2.gz OPQUSQPPVMGIGZ-JKSUJKDBSA-N 1 0 389.887 3.011 20 5 GGBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncc([N+](=O)[O-])cc4C)CC3)C2)cc1 ZINC001164938809 721921286 /nfs/dbraw/zinc/92/12/86/721921286.db2.gz RPTGQXRMZQTWAY-UHFFFAOYSA-N 1 0 396.491 3.478 20 5 GGBDRO CN(CC1CC[NH+](C)CC1)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC001165045094 721938489 /nfs/dbraw/zinc/93/84/89/721938489.db2.gz SMGXVUVSBCUUSM-UHFFFAOYSA-N 1 0 375.860 3.483 20 5 GGBDRO C[NH+](C)CC1CCN(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)CC1 ZINC001165042513 721950610 /nfs/dbraw/zinc/95/06/10/721950610.db2.gz NRJDWGKBNQUHIB-UHFFFAOYSA-N 1 0 375.860 3.483 20 5 GGBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[NH+](CCOc4ccccc4)CC3)c2c1 ZINC001165043934 721959003 /nfs/dbraw/zinc/95/90/03/721959003.db2.gz AHYQKDUGSXCXCQ-UHFFFAOYSA-N 1 0 378.432 3.344 20 5 GGBDRO CC[NH+](CC)C1CCN(c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])CC1 ZINC001165052937 722005968 /nfs/dbraw/zinc/00/59/68/722005968.db2.gz GSKMGKZPUKYHJR-UHFFFAOYSA-N 1 0 381.786 3.368 20 5 GGBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967574 722071308 /nfs/dbraw/zinc/07/13/08/722071308.db2.gz QHKQUJJPMUYHFX-OKILXGFUSA-N 1 0 388.855 3.096 20 5 GGBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c2c1 ZINC001164967833 722075692 /nfs/dbraw/zinc/07/56/92/722075692.db2.gz YSNMOUILLKNOSS-GASCZTMLSA-N 1 0 388.855 3.096 20 5 GGBDRO COc1cnc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c([N+](=O)[O-])c1 ZINC001164993884 722198393 /nfs/dbraw/zinc/19/83/93/722198393.db2.gz INQWTMFBODEQDG-FQEVSTJZSA-N 1 0 386.427 3.382 20 5 GGBDRO