smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000019683094 202017442 /nfs/dbraw/zinc/01/74/42/202017442.db2.gz FBJIQVPIDVBFFK-UHFFFAOYSA-N 1 2 341.367 2.679 50 5 EFBALO O=C(c1ccccc1)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000019774056 202019139 /nfs/dbraw/zinc/01/91/39/202019139.db2.gz MWMNDOGSFBADCC-UHFFFAOYSA-N 1 2 325.368 2.553 50 5 EFBALO Cc1ccc(C[NH+]2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000020367219 202039988 /nfs/dbraw/zinc/03/99/88/202039988.db2.gz WBVMVHNFXMZTQH-UHFFFAOYSA-N 1 2 339.395 2.861 50 5 EFBALO O=[N+]([O-])c1ccc(-c2nn3c(C[NH+]4CCCCC4)nnc3s2)cc1 ZINC000071260521 203088352 /nfs/dbraw/zinc/08/83/52/203088352.db2.gz GVJSJKYEGSJSJJ-UHFFFAOYSA-N 1 2 344.400 2.747 50 5 EFBALO O=Cc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000095081157 285033118 /nfs/dbraw/zinc/03/31/18/285033118.db2.gz FINIKPJHXJNTCE-UHFFFAOYSA-N 1 2 325.368 2.730 50 5 EFBALO O=Cc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000052537356 285032394 /nfs/dbraw/zinc/03/23/94/285032394.db2.gz AVJTYGUQJUPCJA-UHFFFAOYSA-N 1 2 325.368 2.730 50 5 EFBALO O=[N+]([O-])c1ccc(NC(=S)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000018251136 471974506 /nfs/dbraw/zinc/97/45/06/471974506.db2.gz BEXHDVXPLXAICZ-UHFFFAOYSA-N 1 2 343.412 2.509 50 5 EFBALO CC[NH+](CC)CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O ZINC000020265998 212114880 /nfs/dbraw/zinc/11/48/80/212114880.db2.gz AIDMDSVQVCZZEW-UKTHLTGXSA-N 1 2 335.385 2.930 50 5 EFBALO O=C(CSc1nc[nH]n1)Nc1c2ccccc2[nH+]c2ccccc21 ZINC000019849992 212076282 /nfs/dbraw/zinc/07/62/82/212076282.db2.gz XCBADYBJVZITNZ-UHFFFAOYSA-N 1 2 335.392 2.659 50 5 EFBALO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccccc2)CC1 ZINC000019878852 212078542 /nfs/dbraw/zinc/07/85/42/212078542.db2.gz PQVHVXSWOVGJFL-UHFFFAOYSA-N 1 2 325.368 2.553 50 5 EFBALO O=C(c1cccc(F)c1)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000019773796 212063974 /nfs/dbraw/zinc/06/39/74/212063974.db2.gz KQSNODABNQYPDX-UHFFFAOYSA-N 1 2 343.358 2.692 50 5 EFBALO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000019349139 212019580 /nfs/dbraw/zinc/01/95/80/212019580.db2.gz NSPKESWHPWBITJ-UHFFFAOYSA-N 1 2 343.358 2.692 50 5 EFBALO Cc1cccn2cc(CCNC(=O)c3ccc(C)c([N+](=O)[O-])c3)[nH+]c12 ZINC000004248466 210151577 /nfs/dbraw/zinc/15/15/77/210151577.db2.gz JLOHQHOSMLUVKH-UHFFFAOYSA-N 1 2 338.367 2.832 50 5 EFBALO COc1ccc(CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000000068836 209399979 /nfs/dbraw/zinc/39/99/79/209399979.db2.gz HGHDOLGYCOVGAZ-UHFFFAOYSA-N 1 2 341.411 2.921 50 5 EFBALO Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000019879101 212078164 /nfs/dbraw/zinc/07/81/64/212078164.db2.gz YHAWVWZXADIPRF-UHFFFAOYSA-N 1 2 339.395 2.861 50 5 EFBALO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000019293858 212012547 /nfs/dbraw/zinc/01/25/47/212012547.db2.gz VZXXIWRGSIIAES-UHFFFAOYSA-N 1 2 343.358 2.692 50 5 EFBALO O=C(CN1c2ccccc2N2CCC[NH+]=C12)c1ccc([N+](=O)[O-])cc1 ZINC000006270112 471537883 /nfs/dbraw/zinc/53/78/83/471537883.db2.gz ODXNWSYYWOIYHU-UHFFFAOYSA-N 1 2 336.351 2.864 50 5 EFBALO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCc2ccccc2C1 ZINC000006610699 471555122 /nfs/dbraw/zinc/55/51/22/471555122.db2.gz TZFCQNGTIUMYSK-UHFFFAOYSA-N 1 2 341.367 2.600 50 5 EFBALO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCc2ccccc2C1 ZINC000006610699 471555128 /nfs/dbraw/zinc/55/51/28/471555128.db2.gz TZFCQNGTIUMYSK-UHFFFAOYSA-N 1 2 341.367 2.600 50 5 EFBALO O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000020137296 258057379 /nfs/dbraw/zinc/05/73/79/258057379.db2.gz JQVICMCQCSVQNU-UHFFFAOYSA-N 1 2 341.367 2.679 50 5 EFBALO O=C(Cn1c[nH+]cc1-c1ccc([N+](=O)[O-])cc1)NC1CCCCC1 ZINC000000458700 471363483 /nfs/dbraw/zinc/36/34/83/471363483.db2.gz YXIBFNRHPZYAHR-UHFFFAOYSA-N 1 2 328.372 2.907 50 5 EFBALO Cc1[nH+]c2ccccc2n1C[C@H](O)COc1ccc([N+](=O)[O-])cc1 ZINC000002495508 471410181 /nfs/dbraw/zinc/41/01/81/471410181.db2.gz ATWFDLKCWFDCEW-AWEZNQCLSA-N 1 2 327.340 2.693 50 5 EFBALO O=C(NCCCn1cc[nH+]c1)c1cc2c(ccc3ccccc32)oc1=O ZINC000013786003 471844407 /nfs/dbraw/zinc/84/44/07/471844407.db2.gz UZQFEXMSXZTSIS-UHFFFAOYSA-N 1 2 347.374 2.963 50 5 EFBALO O=C(CN1c2ccccc2N2CCC[NH+]=C12)c1cccc([N+](=O)[O-])c1 ZINC000100484477 219100715 /nfs/dbraw/zinc/10/07/15/219100715.db2.gz YEAXYQFWOFWFNO-UHFFFAOYSA-N 1 2 336.351 2.864 50 5 EFBALO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019606584 212051504 /nfs/dbraw/zinc/05/15/04/212051504.db2.gz QENGHYWPJCHZLV-QPJJXVBHSA-N 1 2 341.367 2.659 50 5 EFBALO COc1ccc(NC(=O)C[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000004821457 210287192 /nfs/dbraw/zinc/28/71/92/210287192.db2.gz JNCYKNJPKDAWDT-UHFFFAOYSA-N 1 2 341.367 2.600 50 5 EFBALO COc1ccc(NC(=O)C[N@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000004821457 210287198 /nfs/dbraw/zinc/28/71/98/210287198.db2.gz JNCYKNJPKDAWDT-UHFFFAOYSA-N 1 2 341.367 2.600 50 5 EFBALO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000055184924 132194279 /nfs/dbraw/zinc/19/42/79/132194279.db2.gz ACCMGQIBJRYVMD-UHFFFAOYSA-N 1 2 342.355 2.825 50 5 EFBALO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000057381689 132200547 /nfs/dbraw/zinc/20/05/47/132200547.db2.gz MTUMNBLCUWDMQL-UHFFFAOYSA-N 1 2 342.355 2.825 50 5 EFBALO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019372086 212023251 /nfs/dbraw/zinc/02/32/51/212023251.db2.gz KXYNNLHZQJWAGP-UHFFFAOYSA-N 1 2 325.368 2.553 50 5 EFBALO O=[N+]([O-])c1c(Cl)nc2ccccc2c1NCC[NH+]1CCOCC1 ZINC000096193723 473333147 /nfs/dbraw/zinc/33/31/47/473333147.db2.gz QXGYVOUQIPFKAZ-UHFFFAOYSA-N 1 2 336.779 2.541 50 5 EFBALO C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)CC1 ZINC000004618741 471469578 /nfs/dbraw/zinc/46/95/78/471469578.db2.gz YZYHZAQWPWGUTA-UHFFFAOYSA-N 1 2 325.368 2.578 50 5 EFBALO CCn1c[nH+]c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000005451118 471505761 /nfs/dbraw/zinc/50/57/61/471505761.db2.gz UKEBJRRFYPZXSM-UHFFFAOYSA-N 1 2 346.368 2.765 50 5 EFBALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000019683103 212056174 /nfs/dbraw/zinc/05/61/74/212056174.db2.gz VKOPLAKFLSOUKB-UHFFFAOYSA-N 1 2 341.367 2.679 50 5 EFBALO COc1ccccc1N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000055543047 132195835 /nfs/dbraw/zinc/19/58/35/132195835.db2.gz UJGZZEUCLNQJRT-UHFFFAOYSA-N 1 2 327.384 2.926 50 5 EFBALO Cc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CC[NH+](C)CC2)cc1 ZINC000004618739 715751373 /nfs/dbraw/zinc/75/13/73/715751373.db2.gz MJYRMLLWMCTTIQ-UHFFFAOYSA-N 1 2 339.395 2.886 50 5 EFBALO C[NH+]1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000004185794 282966890 /nfs/dbraw/zinc/96/68/90/282966890.db2.gz IOIWNQFKYZGKBN-UHFFFAOYSA-N 1 2 325.368 2.578 50 5 EFBALO Cc1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000019571555 202014092 /nfs/dbraw/zinc/01/40/92/202014092.db2.gz RKQFXAGVZZOLIJ-UHFFFAOYSA-N 1 2 339.395 2.861 50 5 EFBALO O=[N+]([O-])c1cc(CN2CC[NH+](Cc3ccccc3)CC2)ccc1O ZINC000019608607 202015670 /nfs/dbraw/zinc/01/56/70/202015670.db2.gz YIVHMOLYVFAUGQ-UHFFFAOYSA-N 1 2 327.384 2.618 50 5 EFBALO COc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1O ZINC000055543458 132195822 /nfs/dbraw/zinc/19/58/22/132195822.db2.gz XGCLKKXNMAPOLX-UHFFFAOYSA-N 1 2 343.383 2.631 50 5 EFBALO CC(C)(C)n1nnnc1[C@@H](c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000071405180 278592719 /nfs/dbraw/zinc/59/27/19/278592719.db2.gz AKBJZPVBNVRMBQ-OAHLLOKOSA-N 1 2 344.419 2.912 50 5 EFBALO CC(C)(C)n1nnnc1[C@H](c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000071405181 278592798 /nfs/dbraw/zinc/59/27/98/278592798.db2.gz AKBJZPVBNVRMBQ-HNNXBMFYSA-N 1 2 344.419 2.912 50 5 EFBALO O=[N+]([O-])c1cccc(OCC[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000004832350 471476933 /nfs/dbraw/zinc/47/69/33/471476933.db2.gz KXDBZZVWAKXDGI-UHFFFAOYSA-N 1 2 341.411 2.791 50 5 EFBALO COc1ccccc1CN1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000004094206 210119080 /nfs/dbraw/zinc/11/90/80/210119080.db2.gz LPJKCCVWFQTPSK-UHFFFAOYSA-N 1 2 341.411 2.921 50 5 EFBALO COc1ccccc1C[NH+]1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000004094206 210119075 /nfs/dbraw/zinc/11/90/75/210119075.db2.gz LPJKCCVWFQTPSK-UHFFFAOYSA-N 1 2 341.411 2.921 50 5 EFBALO CCc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccc([N+](=O)[O-])cc1 ZINC000004043157 210107419 /nfs/dbraw/zinc/10/74/19/210107419.db2.gz BSKGLBYLEXISQI-CQSZACIVSA-N 1 2 341.367 2.947 50 5 EFBALO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCN(c2ccccn2)CC1 ZINC000022591298 285116990 /nfs/dbraw/zinc/11/69/90/285116990.db2.gz RDKDHEBPDQHKPM-UHFFFAOYSA-N 1 2 332.791 2.965 50 5 EFBALO COc1ccccc1N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000055543369 278052756 /nfs/dbraw/zinc/05/27/56/278052756.db2.gz YYAHBHPMMMRUNN-UHFFFAOYSA-N 1 2 327.384 2.926 50 5 EFBALO CCn1c(=O)c([N+](=O)[O-])c(NCCCn2cc[nH+]c2)c2ccccc21 ZINC000005456628 471507094 /nfs/dbraw/zinc/50/70/94/471507094.db2.gz PLWNLJXMAYGDEV-UHFFFAOYSA-N 1 2 341.371 2.628 50 5 EFBALO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000018220278 471973193 /nfs/dbraw/zinc/97/31/93/471973193.db2.gz OOCLOIGNZXGHAA-UHFFFAOYSA-N 1 2 346.774 2.606 50 5 EFBALO O=[N+]([O-])c1cccc(-c2nn3c(C[NH+]4CCCCC4)nnc3s2)c1 ZINC000071260520 472546307 /nfs/dbraw/zinc/54/63/07/472546307.db2.gz FZOVNKBXSLUUFX-UHFFFAOYSA-N 1 2 344.400 2.747 50 5 EFBALO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCN(c2cccc[nH+]2)CC1 ZINC000004953576 135668194 /nfs/dbraw/zinc/66/81/94/135668194.db2.gz JCZPTOPPTOWQOQ-UHFFFAOYSA-N 1 2 346.774 2.606 50 5 EFBALO COc1cccc(CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000000169415 471330510 /nfs/dbraw/zinc/33/05/10/471330510.db2.gz XIJFQUIYWGHABG-UHFFFAOYSA-N 1 2 341.411 2.921 50 5 EFBALO Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000020367226 212123804 /nfs/dbraw/zinc/12/38/04/212123804.db2.gz QAPOEBZQKWGILG-UHFFFAOYSA-N 1 2 339.395 2.861 50 5 EFBALO Cn1cnnc1SCC(=O)Nc1c2ccccc2[nH+]c2ccccc21 ZINC000019849860 212076604 /nfs/dbraw/zinc/07/66/04/212076604.db2.gz XYVVNDOSBQOEAG-UHFFFAOYSA-N 1 2 349.419 2.669 50 5 EFBALO O=[N+]([O-])c1ccc(O)cc1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019609083 212051540 /nfs/dbraw/zinc/05/15/40/212051540.db2.gz MNFAGPWYBNXTMM-UHFFFAOYSA-N 1 2 327.384 2.618 50 5 EFBALO Cc1[nH]c2ccc(NC(=O)CSc3ccc([N+](=O)[O-])cn3)cc2[nH+]1 ZINC000009187520 211047948 /nfs/dbraw/zinc/04/79/48/211047948.db2.gz FVTLAUQRGQRRSR-UHFFFAOYSA-N 1 2 343.368 2.905 50 5 EFBALO CC(C)[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000285765165 274070239 /nfs/dbraw/zinc/07/02/39/274070239.db2.gz VRRVIDBEBTUNDJ-ZDUSSCGKSA-N 1 2 338.389 2.531 50 5 EFBALO Cc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccc([N+](=O)[O-])cc1 ZINC000000089895 471322097 /nfs/dbraw/zinc/32/20/97/471322097.db2.gz ATWFDLKCWFDCEW-CQSZACIVSA-N 1 2 327.340 2.693 50 5 EFBALO COc1cc(C[NH+]2CCN(c3ccccc3)CC2)cc([N+](=O)[O-])c1O ZINC000003879206 471456076 /nfs/dbraw/zinc/45/60/76/471456076.db2.gz PEDYYYBJKXTZER-UHFFFAOYSA-N 1 2 343.383 2.631 50 5 EFBALO Cc1cccn2cc(CCNC(=O)c3ccc([N+](=O)[O-])c(C)c3)[nH+]c12 ZINC000004248467 210151622 /nfs/dbraw/zinc/15/16/22/210151622.db2.gz ZTCBAAXTRHUGCA-UHFFFAOYSA-N 1 2 338.367 2.832 50 5 EFBALO Cc1c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000019863484 202023852 /nfs/dbraw/zinc/02/38/52/202023852.db2.gz RRZMJMADYHABOS-UHFFFAOYSA-N 1 2 339.395 2.861 50 5 EFBALO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000018179248 211986005 /nfs/dbraw/zinc/98/60/05/211986005.db2.gz MTPWGSFRTDJEFJ-UHFFFAOYSA-N 1 2 346.774 2.606 50 5 EFBALO COc1cccc(CN2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000000446592 471361482 /nfs/dbraw/zinc/36/14/82/471361482.db2.gz HFQDXJGPOIAGJV-UHFFFAOYSA-N 1 2 341.411 2.921 50 5 EFBALO CCOc1ccccc1N1CC[NH+](Cc2ccc([N+](=O)[O-])o2)CC1 ZINC000003109320 471433203 /nfs/dbraw/zinc/43/32/03/471433203.db2.gz PPCFLSGEYBBXEX-UHFFFAOYSA-N 1 2 331.372 2.909 50 5 EFBALO COc1ccccc1N1CC[NH+](Cc2ccc(O)c([N+](=O)[O-])c2)CC1 ZINC000004639275 471470647 /nfs/dbraw/zinc/47/06/47/471470647.db2.gz DLAZZMNIQIPAFK-UHFFFAOYSA-N 1 2 343.383 2.631 50 5 EFBALO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000004700907 471471901 /nfs/dbraw/zinc/47/19/01/471471901.db2.gz DOVXQXSUFAGXAY-UHFFFAOYSA-N 1 2 346.774 2.606 50 5 EFBALO O=C(C[NH+]1CCCCC1)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000004993636 471483255 /nfs/dbraw/zinc/48/32/55/471483255.db2.gz BGRVIKTZGQRTGG-UHFFFAOYSA-N 1 2 342.193 2.782 50 5 EFBALO O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000019773584 212064506 /nfs/dbraw/zinc/06/45/06/212064506.db2.gz OZCAUFRCMBUQFV-UHFFFAOYSA-N 1 2 343.358 2.692 50 5 EFBALO Cc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000019210258 212003967 /nfs/dbraw/zinc/00/39/67/212003967.db2.gz AJYXPXBNHHDDHV-UHFFFAOYSA-N 1 2 339.395 2.861 50 5 EFBALO CCc1[nH+]c2ccccc2n1C[C@H](O)COc1ccc([N+](=O)[O-])cc1 ZINC000000447026 471360824 /nfs/dbraw/zinc/36/08/24/471360824.db2.gz BSKGLBYLEXISQI-AWEZNQCLSA-N 1 2 341.367 2.947 50 5 EFBALO CC(C)(C)OC(=O)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000041701545 472079366 /nfs/dbraw/zinc/07/93/66/472079366.db2.gz RBEXASHZNSBASY-UHFFFAOYSA-N 1 2 335.404 2.690 50 5 EFBALO O=C(c1ccccc1F)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000019347619 212019320 /nfs/dbraw/zinc/01/93/20/212019320.db2.gz WDMDHGKWYRBSJV-UHFFFAOYSA-N 1 2 343.358 2.692 50 5 EFBALO O=[N+]([O-])c1cc2c(cc1C[NH+]1CCN(c3ccccc3)CC1)OCO2 ZINC000055542982 132195472 /nfs/dbraw/zinc/19/54/72/132195472.db2.gz IBQQPXWQLSZVTE-UHFFFAOYSA-N 1 2 341.367 2.646 50 5 EFBALO Cc1ccc(C(=O)c2ccc(N3CC[NH+](C)CC3)c([N+](=O)[O-])c2)cc1 ZINC000004754552 716729417 /nfs/dbraw/zinc/72/94/17/716729417.db2.gz BCIQMVUVOUJOAB-UHFFFAOYSA-N 1 2 339.395 2.886 50 5 EFBALO COc1ccccc1CN1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000003900593 210087956 /nfs/dbraw/zinc/08/79/56/210087956.db2.gz SGILPRMMUWFYID-UHFFFAOYSA-N 1 2 341.411 2.921 50 5 EFBALO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000019782455 212066371 /nfs/dbraw/zinc/06/63/71/212066371.db2.gz MXARPWQKOZXTFJ-UHFFFAOYSA-N 1 2 343.358 2.692 50 5 EFBALO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019314242 212014371 /nfs/dbraw/zinc/01/43/71/212014371.db2.gz ASFGNNUHCFDVOM-UHFFFAOYSA-N 1 2 325.368 2.553 50 5 EFBALO Cn1c(-c2ccccc2)cn(CC(=O)c2cccc([N+](=O)[O-])c2)c1=[NH2+] ZINC000334157529 258004803 /nfs/dbraw/zinc/00/48/03/258004803.db2.gz HAIZGHQOVDADBJ-UHFFFAOYSA-N 1 2 336.351 2.764 50 5 EFBALO O=[N+]([O-])c1cccc(NC(=S)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000013830349 471844190 /nfs/dbraw/zinc/84/41/90/471844190.db2.gz UAKGGGMIHVSJEO-UHFFFAOYSA-N 1 2 343.412 2.509 50 5 EFBALO