smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1cnc(SCc2nc3ccccc3c3ccccc23)[n-]1 ZINC000519616665 1026910704 /nfs/dbraw/zinc/91/07/04/1026910704.db2.gz FLVHDVLPRZEZLJ-UHFFFAOYSA-N -1 3 349.415 4.190 20 5 EIBDHM C[C@@H]1C[C@@H]1[C@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000596137566 1035825581 /nfs/dbraw/zinc/82/55/81/1035825581.db2.gz MGSRYYIJCRVQBI-LJWDBELGSA-N -1 3 333.775 4.158 20 5 EIBDHM CC(C)(C)c1ccc([N-]C(=O)c2ocnc2C(F)F)cc1[N+](=O)[O-] ZINC000599916364 1037235187 /nfs/dbraw/zinc/23/51/87/1037235187.db2.gz ILUZXMWBBLWFAU-UHFFFAOYSA-N -1 3 339.298 4.070 20 5 EIBDHM CCCc1cc(=O)[n-]c(C(=Cc2ccc([N+](=O)[O-])cc2F)CC)n1 ZINC000435335868 1040292102 /nfs/dbraw/zinc/29/21/02/1040292102.db2.gz LFCWUJGXHQDBLJ-FLIBITNWSA-N -1 3 331.347 4.133 20 5 EIBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1ccc(Oc2ccccc2)o1 ZINC000482543240 1040341310 /nfs/dbraw/zinc/34/13/10/1040341310.db2.gz MYDAEAQQTBECAF-UHFFFAOYSA-N -1 3 342.282 4.372 20 5 EIBDHM O=[N+]([O-])c1ccc2nc(/C=C\c3c(F)ccc([O-])c3F)ccc2c1 ZINC000480021135 1040868549 /nfs/dbraw/zinc/86/85/49/1040868549.db2.gz NPQZHMQYNQEJON-HYXAFXHYSA-N -1 3 328.274 4.297 20 5 EIBDHM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000462781357 1040918830 /nfs/dbraw/zinc/91/88/30/1040918830.db2.gz RVKYNYCOIOUOLZ-GFCCVEGCSA-N -1 3 348.786 4.161 20 5 EIBDHM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)[N-]c1cc(F)cc(F)c1F ZINC000554364205 1041041641 /nfs/dbraw/zinc/04/16/41/1041041641.db2.gz SLGCJJPBVFNYOR-UHFFFAOYSA-N -1 3 344.676 4.226 20 5 EIBDHM O=[N+]([O-])c1ccc(/C(=C/c2ccc([O-])c(F)c2)c2ccncc2)cc1 ZINC000436532607 1041317727 /nfs/dbraw/zinc/31/77/27/1041317727.db2.gz VYPPJKRBGCLJLG-BOPFTXTBSA-N -1 3 336.322 4.423 20 5 EIBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1ccc(C(F)(F)F)s1 ZINC000808012187 1047583438 /nfs/dbraw/zinc/58/34/38/1047583438.db2.gz LHFFHCPEQBYFHJ-UHFFFAOYSA-N -1 3 334.250 4.067 20 5 EIBDHM O=C([N-]c1cccc([N+](=O)[O-])c1Cl)c1cc(-c2ccccc2)on1 ZINC000813246191 1049727691 /nfs/dbraw/zinc/72/76/91/1049727691.db2.gz AXIPXCMBTJAFMH-UHFFFAOYSA-N -1 3 343.726 4.156 20 5 EIBDHM O=c1[n-]ccc(NCc2cccc(Oc3ccccc3)c2)c1[N+](=O)[O-] ZINC001184847523 1052109048 /nfs/dbraw/zinc/10/90/48/1052109048.db2.gz LOKAVOUUBQNUMM-UHFFFAOYSA-N -1 3 337.335 4.100 20 5 EIBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(-c3ccc(Cl)cc3)no2)c1 ZINC001199801612 1054472999 /nfs/dbraw/zinc/47/29/99/1054472999.db2.gz FIQZWKWDDMWZFS-UHFFFAOYSA-N -1 3 331.715 4.352 20 5 EIBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(Br)c(F)c2F)c1 ZINC001201224417 1054731992 /nfs/dbraw/zinc/73/19/92/1054731992.db2.gz NHKBEVHYBRWFJF-UHFFFAOYSA-N -1 3 345.099 4.085 20 5 EIBDHM CC(C)c1ccc(C(=O)Nc2c([O-])cccc2Cl)cc1[N+](=O)[O-] ZINC000580009678 1021108678 /nfs/dbraw/zinc/10/86/78/1021108678.db2.gz MPUTXNUQELEJQE-UHFFFAOYSA-N -1 3 334.759 4.330 20 5 EIBDHM CC(C)(C)[C@H]1CCc2nc([N-]C(=O)c3ccc([N+](=O)[O-])o3)sc2C1 ZINC000480119526 1027059296 /nfs/dbraw/zinc/05/92/96/1027059296.db2.gz FLQMIPNFHSNCON-VIFPVBQESA-N -1 3 349.412 4.048 20 5 EIBDHM O=C([N-]c1nc(-c2ccccc2Cl)co1)c1ccc([N+](=O)[O-])s1 ZINC000366439506 1035396064 /nfs/dbraw/zinc/39/60/64/1035396064.db2.gz RGYBUKKAXQMCRT-UHFFFAOYSA-N -1 3 349.755 4.217 20 5 EIBDHM Cc1ccc([N+](=O)[O-])cc1-c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436613489 1041373270 /nfs/dbraw/zinc/37/32/70/1041373270.db2.gz VQARTBNUFYMKFE-UHFFFAOYSA-N -1 3 347.330 4.479 20 5 EIBDHM Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000506239907 1042198866 /nfs/dbraw/zinc/19/88/66/1042198866.db2.gz YOOQYQFOPHUXSW-UHFFFAOYSA-N -1 3 328.368 4.159 20 5 EIBDHM CC[C@H](C)c1ccccc1OC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000916855884 1046395195 /nfs/dbraw/zinc/39/51/95/1046395195.db2.gz MQAYDBGEBRRVLA-NSHDSACASA-N -1 3 339.351 4.204 20 5 EIBDHM O=C([N-]c1cc(F)ccc1F)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000812824498 1049587218 /nfs/dbraw/zinc/58/72/18/1049587218.db2.gz RQUYMJROYSFQJZ-UHFFFAOYSA-N -1 3 347.104 4.432 20 5 EIBDHM COc1cc(Cl)c(Cl)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201229723 1054725820 /nfs/dbraw/zinc/72/58/20/1054725820.db2.gz PNQLSWQMRMNHTO-UHFFFAOYSA-N -1 3 329.139 4.359 20 5 EIBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(F)c(OCC3CC3)c(F)c2)c1 ZINC001201230030 1054725863 /nfs/dbraw/zinc/72/58/63/1054725863.db2.gz VACFTCGDUSOPLY-UHFFFAOYSA-N -1 3 336.294 4.111 20 5 EIBDHM Nc1ccccc1N(Cc1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001201224075 1054732396 /nfs/dbraw/zinc/73/23/96/1054732396.db2.gz HYRQXUMCHMZYGA-UHFFFAOYSA-N -1 3 335.363 4.221 20 5 EIBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(Cl)c(Br)c2)c1 ZINC001201224943 1054735129 /nfs/dbraw/zinc/73/51/29/1054735129.db2.gz WVGGANFKGNSJNG-UHFFFAOYSA-N -1 3 343.564 4.460 20 5 EIBDHM CN(CCc1cccc2ccccc21)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001167263494 1020722033 /nfs/dbraw/zinc/72/20/33/1020722033.db2.gz ANBMXCTWOFFKFL-UHFFFAOYSA-N -1 3 336.391 4.128 20 5 EIBDHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])c1ccccc1[N+](=O)[O-] ZINC000179811301 1031307433 /nfs/dbraw/zinc/30/74/33/1031307433.db2.gz NOMOEZMUKIWBMK-UHFFFAOYSA-N -1 3 348.358 4.144 20 5 EIBDHM COc1c([O-])ccc(CNc2ccccc2NC(C)(C)C)c1[N+](=O)[O-] ZINC000894228245 1034988790 /nfs/dbraw/zinc/98/87/90/1034988790.db2.gz DFKSXTJZNCAGHH-UHFFFAOYSA-N -1 3 345.399 4.132 20 5 EIBDHM C[C@@H]1C[C@H]1[C@@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000596137565 1035825358 /nfs/dbraw/zinc/82/53/58/1035825358.db2.gz MGSRYYIJCRVQBI-IUPBHXKESA-N -1 3 333.775 4.158 20 5 EIBDHM O=c1[n-]ccc(N[C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC000596274121 1035841681 /nfs/dbraw/zinc/84/16/81/1035841681.db2.gz ZSBMPSBXGZHTDP-WCQYABFASA-N -1 3 333.775 4.097 20 5 EIBDHM O=[N+]([O-])c1cccc(-c2nc(-c3ccc([O-])c4ccccc34)no2)c1 ZINC000436612384 1041372599 /nfs/dbraw/zinc/37/25/99/1041372599.db2.gz MTAVVHHPAMMEPY-UHFFFAOYSA-N -1 3 333.303 4.171 20 5 EIBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000536719962 1046713030 /nfs/dbraw/zinc/71/30/30/1046713030.db2.gz WCBQNUPLVHZDEI-UHFFFAOYSA-N -1 3 334.759 4.131 20 5 EIBDHM Cc1cccc([O-])c1C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001188654854 1050814761 /nfs/dbraw/zinc/81/47/61/1050814761.db2.gz HQIDFHMJXIAQOR-UHFFFAOYSA-N -1 3 329.359 4.049 20 5 EIBDHM Cc1cnn(-c2cccc(Cl)c2)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199828566 1054482819 /nfs/dbraw/zinc/48/28/19/1054482819.db2.gz MQJWVOSGQMQBFF-UHFFFAOYSA-N -1 3 344.758 4.192 20 5 EIBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(F)c(OC3CCC3)c(F)c2)c1 ZINC001201230901 1054725614 /nfs/dbraw/zinc/72/56/14/1054725614.db2.gz ALYWYNZYZDSBMS-UHFFFAOYSA-N -1 3 336.294 4.254 20 5 EIBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1csc(C(C)(C)C)n1 ZINC000282298220 1055789116 /nfs/dbraw/zinc/78/91/16/1055789116.db2.gz MAHNADRASGLCBB-UHFFFAOYSA-N -1 3 337.376 4.049 20 5 EIBDHM O=C([N-]c1c(F)cccc1F)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000059003020 1026314637 /nfs/dbraw/zinc/31/46/37/1026314637.db2.gz RUJLTGPKBUDRSY-UHFFFAOYSA-N -1 3 334.303 4.340 20 5 EIBDHM O=c1[n-]ccc(NCc2ccc(OC3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000596102514 1035817138 /nfs/dbraw/zinc/81/71/38/1035817138.db2.gz CGZIMVYQEDDDCO-UHFFFAOYSA-N -1 3 343.383 4.019 20 5 EIBDHM CC[C@H](C)n1ncc([N-]c2nc3ccccc3cc2[N+](=O)[O-])c1C ZINC000477703135 1040718349 /nfs/dbraw/zinc/71/83/49/1040718349.db2.gz MKYMJOQPFIYOAI-NSHDSACASA-N -1 3 325.372 4.363 20 5 EIBDHM CC[C@@H](C)n1ncc([N-]c2nc3ccccc3cc2[N+](=O)[O-])c1C ZINC000477703134 1040719370 /nfs/dbraw/zinc/71/93/70/1040719370.db2.gz MKYMJOQPFIYOAI-LLVKDONJSA-N -1 3 325.372 4.363 20 5 EIBDHM Cc1c(-c2nc(-c3ccc([O-])c4ccccc34)no2)cccc1[N+](=O)[O-] ZINC000436609306 1041372698 /nfs/dbraw/zinc/37/26/98/1041372698.db2.gz IJZQSFIJAUIECL-UHFFFAOYSA-N -1 3 347.330 4.479 20 5 EIBDHM CCCn1c2ccc(C)cc2nc1-c1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000436654640 1041394540 /nfs/dbraw/zinc/39/45/40/1041394540.db2.gz GVIVPXQHBBNKNN-UHFFFAOYSA-N -1 3 341.367 4.044 20 5 EIBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1c(Cl)cc(F)cc1Cl ZINC000762959891 1045458698 /nfs/dbraw/zinc/45/86/98/1045458698.db2.gz BLILOSXLGDKNNB-UHFFFAOYSA-N -1 3 347.104 4.432 20 5 EIBDHM Cc1cccc2cc(C(=O)[N-]c3cc([N+](=O)[O-])c(F)cc3F)oc21 ZINC000747121157 1046245263 /nfs/dbraw/zinc/24/52/63/1046245263.db2.gz MESMWXIGKMBBRN-UHFFFAOYSA-N -1 3 332.262 4.180 20 5 EIBDHM CSc1cc(F)ccc1[N-]C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001130088440 1046852504 /nfs/dbraw/zinc/85/25/04/1046852504.db2.gz SRYNRHWNZFOQCC-UHFFFAOYSA-N -1 3 340.763 4.362 20 5 EIBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1nc2ccccc2cc1Cl ZINC000812834158 1049603677 /nfs/dbraw/zinc/60/36/77/1049603677.db2.gz MHTAZWWDILRGPA-UHFFFAOYSA-N -1 3 345.717 4.188 20 5 EIBDHM COc1c([O-])ccc(CNc2ccc(C(C)(C)C)c(F)c2)c1[N+](=O)[O-] ZINC001183583401 1051869971 /nfs/dbraw/zinc/86/99/71/1051869971.db2.gz QVSWVZIIFXFEOF-UHFFFAOYSA-N -1 3 348.374 4.358 20 5 EIBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(OC(F)(F)F)cc2F)c1 ZINC001201221951 1054730630 /nfs/dbraw/zinc/73/06/30/1054730630.db2.gz GDNHTUIQIGEDFM-UHFFFAOYSA-N -1 3 332.209 4.082 20 5 EIBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(OC(F)(F)F)ccc2F)c1 ZINC001201222445 1054731567 /nfs/dbraw/zinc/73/15/67/1054731567.db2.gz OXUDTTATRRKFOJ-UHFFFAOYSA-N -1 3 332.209 4.082 20 5 EIBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc(CCc3ccccn3)c2)c1 ZINC001201223176 1054732649 /nfs/dbraw/zinc/73/26/49/1054732649.db2.gz VVTVQHZMJRVYNN-UHFFFAOYSA-N -1 3 335.363 4.224 20 5 EIBDHM CC(C)(C)OC(=O)c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1F ZINC001201224753 1054733872 /nfs/dbraw/zinc/73/38/72/1054733872.db2.gz TZMLEAIIYAEBEJ-UHFFFAOYSA-N -1 3 348.330 4.138 20 5 EIBDHM COc1cc(CNc2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])cc1[O-] ZINC001201683843 1054886734 /nfs/dbraw/zinc/88/67/34/1054886734.db2.gz AEFFLBYWJLHGKF-UHFFFAOYSA-N -1 3 343.166 4.228 20 5 EIBDHM COc1cc(CNc2cccc(C(C)(F)F)c2)c([N+](=O)[O-])cc1[O-] ZINC000189552494 1023062119 /nfs/dbraw/zinc/06/21/19/1023062119.db2.gz RFZAJGSZXBVMFM-UHFFFAOYSA-N -1 3 338.310 4.033 20 5 EIBDHM CCSCc1ccc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])cc1 ZINC000449604980 1031876131 /nfs/dbraw/zinc/87/61/31/1031876131.db2.gz VJAAORPBVKTQFV-UHFFFAOYSA-N -1 3 348.424 4.174 20 5 EIBDHM O=C([N-]c1cccc(F)c1F)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000571006090 1035914338 /nfs/dbraw/zinc/91/43/38/1035914338.db2.gz JVPXOLNFSYUSGS-UHFFFAOYSA-N -1 3 346.211 4.144 20 5 EIBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000597667346 1036314255 /nfs/dbraw/zinc/31/42/55/1036314255.db2.gz QKLCFWWMQORBOQ-UHFFFAOYSA-N -1 3 346.358 4.018 20 5 EIBDHM O=C([N-]c1cc(Cl)c(Cl)cc1F)c1ccc([N+](=O)[O-])s1 ZINC000466584569 1043262715 /nfs/dbraw/zinc/26/27/15/1043262715.db2.gz CSZGDLYAHMCUBP-UHFFFAOYSA-N -1 3 335.143 4.355 20 5 EIBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])c1 ZINC000081457986 1044381883 /nfs/dbraw/zinc/38/18/83/1044381883.db2.gz BVVYDCGLFIJDRI-UHFFFAOYSA-N -1 3 328.368 4.159 20 5 EIBDHM O=c1[n-]c(-c2ccc(Cl)c([N+](=O)[O-])c2)nc2cc(Cl)ccc12 ZINC000917262351 1046825636 /nfs/dbraw/zinc/82/56/36/1046825636.db2.gz UNFGIKZDMPANHK-UHFFFAOYSA-N -1 3 336.134 4.217 20 5 EIBDHM O=c1[n-]ccc(Nc2ccc(N3CCCCC3)c(Cl)c2)c1[N+](=O)[O-] ZINC000853263064 1053662160 /nfs/dbraw/zinc/66/21/60/1053662160.db2.gz VXHVBEBFOFSCQR-UHFFFAOYSA-N -1 3 348.790 4.083 20 5 EIBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1ccc([O-])c(F)c1 ZINC000301386305 1053867239 /nfs/dbraw/zinc/86/72/39/1053867239.db2.gz VWRQUHMIKRYJGH-UHFFFAOYSA-N -1 3 330.237 4.070 20 5 EIBDHM CCOc1ccc(-c2cc(Nc3cc([O-])cc([N+](=O)[O-])c3)on2)cc1 ZINC001199802812 1054473530 /nfs/dbraw/zinc/47/35/30/1054473530.db2.gz YXSSCWUOBCZZNP-UHFFFAOYSA-N -1 3 341.323 4.098 20 5 EIBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc(F)c2N2CCCCC2)c1 ZINC001201229395 1054724596 /nfs/dbraw/zinc/72/45/96/1054724596.db2.gz MXDUUZHMBJUDTI-UHFFFAOYSA-N -1 3 331.347 4.173 20 5 EIBDHM Cc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)ccc1OC(F)(F)F ZINC001201223714 1054732521 /nfs/dbraw/zinc/73/25/21/1054732521.db2.gz FIDFWVAXVCAIJR-UHFFFAOYSA-N -1 3 328.246 4.251 20 5 EIBDHM C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)c2c([O-])cccc21 ZINC000186277675 1029457352 /nfs/dbraw/zinc/45/73/52/1029457352.db2.gz OHQVXQWBJYDNIC-JTQLQIEISA-N -1 3 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20 5 EIBDHM Nc1cc2nc3ccccc3nc2cc1Nc1c(F)cc([O-])cc1F ZINC001175100504 1051347564 /nfs/dbraw/zinc/34/75/64/1051347564.db2.gz WHDAJIPGLLQASH-UHFFFAOYSA-N -1 3 338.317 4.093 20 5 EIBDHM Cc1cccc([C@@H]2CCCN2Cc2cc([O-])ccc2[N+](=O)[O-])c1C ZINC001191143464 1051381479 /nfs/dbraw/zinc/38/14/79/1051381479.db2.gz DFZIVSWGQDOTMK-IBGZPJMESA-N -1 3 326.396 4.254 20 5 EIBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(N3CCC(F)(F)CC3)cc2)c1 ZINC001201229787 1054724142 /nfs/dbraw/zinc/72/41/42/1054724142.db2.gz SMRSHFUYPMFOTA-UHFFFAOYSA-N -1 3 349.337 4.280 20 5 EIBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc(Cl)c2Br)c1 ZINC001201222007 1054731024 /nfs/dbraw/zinc/73/10/24/1054731024.db2.gz IBLMLSWUWRUTAZ-UHFFFAOYSA-N -1 3 343.564 4.460 20 5 EIBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(Oc3nccs3)cc2)c1 ZINC001201222428 1054732093 /nfs/dbraw/zinc/73/20/93/1054732093.db2.gz KXKRJTUBHZSALS-UHFFFAOYSA-N -1 3 329.337 4.293 20 5 EIBDHM CC1(C)CCc2onc(C(=O)[N-]c3cccc([N+](=O)[O-])c3Cl)c2C1 ZINC000875679437 1054810852 /nfs/dbraw/zinc/81/08/52/1054810852.db2.gz LIOZANHEFPFSRK-UHFFFAOYSA-N -1 3 349.774 4.003 20 5 EIBDHM O=C([N-]c1ccccc1SC(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000055007508 1021183009 /nfs/dbraw/zinc/18/30/09/1021183009.db2.gz LBKUZGJYQFDKBF-UHFFFAOYSA-N -1 3 342.298 4.301 20 5 EIBDHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(Cl)c([N+](=O)[O-])c2)CC)n1 ZINC000588611118 1030022214 /nfs/dbraw/zinc/02/22/14/1030022214.db2.gz BPCPUWPQYVCCPR-WQLSENKSSA-N -1 3 347.802 4.235 20 5 EIBDHM Cc1ccc([O-])c(NC(=O)c2cc3ccccc3c3cccnc23)n1 ZINC000345929187 1035333942 /nfs/dbraw/zinc/33/39/42/1035333942.db2.gz OBWHYXLGVJDPPK-UHFFFAOYSA-N -1 3 329.359 4.049 20 5 EIBDHM O=c1[n-]ccc(N[C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000596266629 1035840085 /nfs/dbraw/zinc/84/00/85/1035840085.db2.gz VRZXBWGAOSMICU-TZMCWYRMSA-N -1 3 347.802 4.487 20 5 EIBDHM O=C([N-]c1cc(-c2ccccc2)on1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000173069300 1043847399 /nfs/dbraw/zinc/84/73/99/1043847399.db2.gz JMAWQEJBSDINDL-UHFFFAOYSA-N -1 3 343.726 4.156 20 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