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([N+](=O)[O-])cc1O)[C@H]1CC1(c1ccccc1)c1ccccc1 ZINC000005092007 1086521728 /nfs/dbraw/zinc/52/17/28/1086521728.db2.gz QHUQDMDYAONQLP-GOSISDBHSA-N 0 1 374.396 4.245 50 5 FIBAMN CCCC[C@@H](CC)C(=O)N(C)Cc1nc(C)c(-c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000089953308 521013608 /nfs/dbraw/zinc/01/36/08/521013608.db2.gz GNXCFYMRUYAVPN-OAHLLOKOSA-N 0 1 372.469 4.468 50 5 FIBAMN COc1cc2c(cc1OC)C1(CCCC1)CN[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000019312865 571323677 /nfs/dbraw/zinc/32/36/77/571323677.db2.gz OGIKRJOSUWITTI-FQEVSTJZSA-N 0 1 368.433 4.116 50 5 FIBAMN O=[N+]([O-])c1ccccc1CN1CCN(Cc2cccc3ccccc32)CC1 ZINC000002760615 204055655 /nfs/dbraw/zinc/05/56/55/204055655.db2.gz POKUZQIIHDQHIA-UHFFFAOYSA-N 0 1 361.445 4.066 50 5 FIBAMN CC(C)c1n[nH]c(SCc2cc(=O)oc3ccc4ccccc4c23)n1 ZINC000009337592 204363383 /nfs/dbraw/zinc/36/33/83/204363383.db2.gz UZTANJPOBOKXHJ-UHFFFAOYSA-N 0 1 351.431 4.480 50 5 FIBAMN CC(C)c1nc(SCc2cc(=O)oc3ccc4ccccc4c23)n[nH]1 ZINC000009337592 204363387 /nfs/dbraw/zinc/36/33/87/204363387.db2.gz UZTANJPOBOKXHJ-UHFFFAOYSA-N 0 1 351.431 4.480 50 5 FIBAMN O=C(CN(C1CC1)[C@H]1CCCc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000048326165 205158184 /nfs/dbraw/zinc/15/81/84/205158184.db2.gz VTOMCQRCVSESQW-IBGZPJMESA-N 0 1 365.433 4.075 50 5 FIBAMN O=[N+]([O-])c1cccc(CN2CCN(Cc3cccc4ccccc43)CC2)c1 ZINC000002734486 204053896 /nfs/dbraw/zinc/05/38/96/204053896.db2.gz RTSMPTICRHFMHY-UHFFFAOYSA-N 0 1 361.445 4.066 50 5 FIBAMN CCc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)cc1 ZINC000004134562 204123386 /nfs/dbraw/zinc/12/33/86/204123386.db2.gz YGIJKCWKBQVEKT-UHFFFAOYSA-N 0 1 356.403 4.111 50 5 FIBAMN O=[N+]([O-])c1ccccc1CN1CCN(Cc2ccc3ccccc3c2)CC1 ZINC000004724333 204158685 /nfs/dbraw/zinc/15/86/85/204158685.db2.gz CGNKPCLUWSNJCD-UHFFFAOYSA-N 0 1 361.445 4.066 50 5 FIBAMN O=[N+]([O-])c1ccc(NC[C@@H](c2ccco2)N2CCCC2)c(C(F)(F)F)c1 ZINC000048260951 205155074 /nfs/dbraw/zinc/15/50/74/205155074.db2.gz KPOFEOZYLWJJRA-HNNXBMFYSA-N 0 1 369.343 4.456 50 5 FIBAMN CC(C)[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(F)cc1 ZINC000057503889 205241666 /nfs/dbraw/zinc/24/16/66/205241666.db2.gz QFXPFBMOGFGVOX-GOSISDBHSA-N 0 1 360.385 4.087 50 5 FIBAMN O=C(c1cc2ccccc2c2cccnc12)N1CCN(C2CCCC2)CC1 ZINC000049652770 570965584 /nfs/dbraw/zinc/96/55/84/570965584.db2.gz SEZWWOOJXIJXTM-UHFFFAOYSA-N 0 1 359.473 4.088 50 5 FIBAMN O=c1cc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)c2ccc(O)cc2o1 ZINC000001088383 571146190 /nfs/dbraw/zinc/14/61/90/571146190.db2.gz FXJBWRCEISICJJ-UHFFFAOYSA-N 0 1 352.129 4.381 50 5 biogenic FIBAMN CCCC[C@H](CC)C(=O)N(C)Cc1nc(C)c(-c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000089953311 521155148 /nfs/dbraw/zinc/15/51/48/521155148.db2.gz GNXCFYMRUYAVPN-HNNXBMFYSA-N 0 1 372.469 4.468 50 5 FIBAMN O=[N+]([O-])c1cccc(-c2ccc(CN3CCN(c4ccccc4)CC3)o2)c1 ZINC000004980415 132825649 /nfs/dbraw/zinc/82/56/49/132825649.db2.gz BMOIQSIAAWNCHF-UHFFFAOYSA-N 0 1 363.417 4.177 50 5 FIBAMN C[C@@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCCO2 ZINC000075800568 570633134 /nfs/dbraw/zinc/63/31/34/570633134.db2.gz NVSUAZGQGZESER-GFCCVEGCSA-N 0 1 362.813 4.260 50 5 FIBAMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)CCCC4)c1 ZINC000004035982 206999021 /nfs/dbraw/zinc/99/90/21/206999021.db2.gz FCDHPWRMBUGJRP-UHFFFAOYSA-N 0 1 372.402 4.021 50 5 FIBAMN CC(C)(C)c1ccc(-c2n[nH]c(Sc3ncccc3[N+](=O)[O-])n2)cc1 ZINC000012369577 207366297 /nfs/dbraw/zinc/36/62/97/207366297.db2.gz XWFKZJKEUOZWEL-UHFFFAOYSA-N 0 1 355.423 4.224 50 5 FIBAMN O=C(N[C@@H](c1cccs1)C1CCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000032397766 208028657 /nfs/dbraw/zinc/02/86/57/208028657.db2.gz CSFQSIXMIQIHDZ-MRXNPFEDSA-N 0 1 370.434 4.194 50 5 FIBAMN O=[N+]([O-])c1ccc(-c2ccc(CN3CCN(c4ccccc4)CC3)o2)cc1 ZINC000004980209 132825557 /nfs/dbraw/zinc/82/55/57/132825557.db2.gz QFAJUWFQSSWZCY-UHFFFAOYSA-N 0 1 363.417 4.177 50 5 FIBAMN Cc1ccc(C)c(-c2nnc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])o2)c1 ZINC000004479500 570796210 /nfs/dbraw/zinc/79/62/10/570796210.db2.gz SKUJAUXQUOVCAS-UHFFFAOYSA-N 0 1 372.768 4.167 50 5 FIBAMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc3ccccc32)ccc1Cl ZINC000005260284 209503737 /nfs/dbraw/zinc/50/37/37/209503737.db2.gz MNTJRVCHRZTPMA-UHFFFAOYSA-N 0 1 362.794 4.202 50 5 FIBAMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1ccccc1 ZINC000005065541 207078164 /nfs/dbraw/zinc/07/81/64/207078164.db2.gz KYTXETZJXWGKAL-UHFFFAOYSA-N 0 1 368.414 4.371 50 5 FIBAMN COc1ccc(-c2n[nH]c(S[C@H](C)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000007866291 207210869 /nfs/dbraw/zinc/21/08/69/207210869.db2.gz CQYXHSFHTKDXCH-LLVKDONJSA-N 0 1 356.407 4.242 50 5 FIBAMN Cc1ccc2nc(SCc3nc(-c4cccc([N+](=O)[O-])c4)no3)[nH]c2c1 ZINC000031840653 208020997 /nfs/dbraw/zinc/02/09/97/208020997.db2.gz BLDNVXFASIGGKZ-UHFFFAOYSA-N 0 1 367.390 4.122 50 5 FIBAMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)cc1 ZINC000000712789 568120059 /nfs/dbraw/zinc/12/00/59/568120059.db2.gz INGUMVZZOPPYIJ-UHFFFAOYSA-N 0 1 354.387 4.063 50 5 FIBAMN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(c3ccccc3)CC2)o1 ZINC000004980287 570569607 /nfs/dbraw/zinc/56/96/07/570569607.db2.gz GCNGMWCBANDJFD-UHFFFAOYSA-N 0 1 363.417 4.177 50 5 FIBAMN CCOC(=O)c1ccccc1-c1c2ccc(N)cc2oc2cc(=N)ccc1-2 ZINC000003877659 570569651 /nfs/dbraw/zinc/56/96/51/570569651.db2.gz IRQSCQHDFUYVFP-UHFFFAOYSA-N 0 1 358.397 4.443 50 5 FIBAMN Cc1c(NS(=O)(=O)c2cc(Cl)ccc2Cl)cccc1[N+](=O)[O-] ZINC000001217732 571166454 /nfs/dbraw/zinc/16/64/54/571166454.db2.gz JDAFNABZTJMZCL-UHFFFAOYSA-N 0 1 361.206 4.011 50 5 FIBAMN CC(C)c1ccc(NS(=O)(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000020491960 571329884 /nfs/dbraw/zinc/32/98/84/571329884.db2.gz ZTHCSOFPRZYPRJ-UHFFFAOYSA-N 0 1 359.407 4.000 50 5 FIBAMN N=c1oc2cc(O)ccc2cc1-c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000004795890 207050006 /nfs/dbraw/zinc/05/00/06/207050006.db2.gz BNVNZGPXILVVIH-UHFFFAOYSA-N 0 1 365.370 4.317 50 5 FIBAMN O=[N+]([O-])c1ccc(Sc2nc(-c3ccc(Cl)cc3Cl)n[nH]2)nc1 ZINC000006456754 207141335 /nfs/dbraw/zinc/14/13/35/207141335.db2.gz AMSWOBPTAGXMHB-UHFFFAOYSA-N 0 1 368.205 4.233 50 5 FIBAMN O=[N+]([O-])c1ccc(NC[C@H](c2ccco2)N2CCCC2)c(C(F)(F)F)c1 ZINC000048260949 208393204 /nfs/dbraw/zinc/39/32/04/208393204.db2.gz KPOFEOZYLWJJRA-OAHLLOKOSA-N 0 1 369.343 4.456 50 5 FIBAMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc3c(c2)oc2ccccc23)c1 ZINC000004148012 207002583 /nfs/dbraw/zinc/00/25/83/207002583.db2.gz YYKBYQSVEJUYAN-UHFFFAOYSA-N 0 1 368.370 4.295 50 5 FIBAMN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000024864664 568195255 /nfs/dbraw/zinc/19/52/55/568195255.db2.gz YUWLIYULAGYIOU-MRXNPFEDSA-N 0 1 367.449 4.024 50 5 FIBAMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1 ZINC000004865468 207057767 /nfs/dbraw/zinc/05/77/67/207057767.db2.gz AXJXNIMOXDYGFR-UHFFFAOYSA-N 0 1 354.387 4.063 50 5 FIBAMN O=c1oc2cc(O)ccc2cc1-c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000002957575 571342944 /nfs/dbraw/zinc/34/29/44/571342944.db2.gz ITYUTXMCXDAXLU-UHFFFAOYSA-N 0 1 366.354 4.197 50 5 FIBAMN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCc2ccccc21 ZINC000018935272 571124646 /nfs/dbraw/zinc/12/46/46/571124646.db2.gz IEUQQTWIFDEDLS-GOSISDBHSA-N 0 1 373.840 4.196 50 5 FIBAMN CC(=O)Nc1cccc(-c2csc(Nc3ccccc3[N+](=O)[O-])n2)c1 ZINC000005065201 207077858 /nfs/dbraw/zinc/07/78/58/207077858.db2.gz HOYDLYUFRVOKBZ-UHFFFAOYSA-N 0 1 354.391 4.420 50 5 FIBAMN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000024864669 568195262 /nfs/dbraw/zinc/19/52/62/568195262.db2.gz YUWLIYULAGYIOU-INIZCTEOSA-N 0 1 367.449 4.024 50 5 FIBAMN O=c1oc2cc(O)ccc2cc1-c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000000846068 571092691 /nfs/dbraw/zinc/09/26/91/571092691.db2.gz NBPTWJJHWLUTAB-UHFFFAOYSA-N 0 1 366.354 4.197 50 5 FIBAMN C[C@@H](NCc1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000057733389 571345171 /nfs/dbraw/zinc/34/51/71/571345171.db2.gz MXFUGKOQWHERSP-SNVBAGLBSA-N 0 1 368.220 4.018 50 5 FIBAMN O=[N+]([O-])c1ccc(Sc2nc(-c3cc(Cl)cc(Cl)c3)n[nH]2)nc1 ZINC000001047244 210308361 /nfs/dbraw/zinc/30/83/61/210308361.db2.gz NLOGDDFOFJBLQF-UHFFFAOYSA-N 0 1 368.205 4.233 50 5 FIBAMN CC(C)(C)[C@H](NCn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccs1 ZINC000048340535 570947958 /nfs/dbraw/zinc/94/79/58/570947958.db2.gz ZOMJOIZHCPDGDT-MRXNPFEDSA-N 0 1 371.466 4.249 50 5 FIBAMN C[C@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCCO2 ZINC000075800567 571214379 /nfs/dbraw/zinc/21/43/79/571214379.db2.gz NVSUAZGQGZESER-LBPRGKRZSA-N 0 1 362.813 4.260 50 5 FIBAMN CC(=O)Nc1ccc(-c2csc(Nc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000005064006 570580774 /nfs/dbraw/zinc/58/07/74/570580774.db2.gz AZARLNSDVFETPM-UHFFFAOYSA-N 0 1 354.391 4.420 50 5 FIBAMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(Oc3ccccc3)c2)c1 ZINC000007141337 571262440 /nfs/dbraw/zinc/26/24/40/571262440.db2.gz IDTMLKOMWUEGTC-UHFFFAOYSA-N 0 1 370.386 4.188 50 5 FIBAMN CC(C)[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(F)cc1 ZINC000057503884 571343934 /nfs/dbraw/zinc/34/39/34/571343934.db2.gz QFXPFBMOGFGVOX-SFHVURJKSA-N 0 1 360.385 4.087 50 5 FIBAMN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCc2ccccc21 ZINC000018935273 220233808 /nfs/dbraw/zinc/23/38/08/220233808.db2.gz IEUQQTWIFDEDLS-SFHVURJKSA-N 0 1 373.840 4.196 50 5 FIBAMN Cn1c(-c2cccc([N+](=O)[O-])c2)cnc1NCc1c(F)cccc1Cl ZINC000004678378 571158478 /nfs/dbraw/zinc/15/84/78/571158478.db2.gz WDTUXVNSOSJOJM-UHFFFAOYSA-N 0 1 360.776 4.400 50 5 FIBAMN O=[N+]([O-])c1ccc(CN2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000253428109 571313244 /nfs/dbraw/zinc/31/32/44/571313244.db2.gz IEMSPSPSVHSUIY-QGZVFWFLSA-N 0 1 356.813 4.462 50 5 FIBAMN CCCCN(Cc1ccccc1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000055291997 571321946 /nfs/dbraw/zinc/32/19/46/571321946.db2.gz KSHHHWRXCKXIDV-UHFFFAOYSA-N 0 1 358.438 4.414 50 5 FIBAMN C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000095971399 571333237 /nfs/dbraw/zinc/33/32/37/571333237.db2.gz LBOCBYXJNVMRJP-VIFPVBQESA-N 0 1 369.204 4.440 50 5 FIBAMN C[C@H](NCc1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000057733385 571345130 /nfs/dbraw/zinc/34/51/30/571345130.db2.gz MXFUGKOQWHERSP-JTQLQIEISA-N 0 1 368.220 4.018 50 5 FIBAMN COc1ccc(-c2csc(Nc3ccccc3[N+](=O)[O-])n2)cc1OC ZINC000005065143 210597378 /nfs/dbraw/zinc/59/73/78/210597378.db2.gz SIJCFTKVMQMPTQ-UHFFFAOYSA-N 0 1 357.391 4.479 50 5 FIBAMN O=c1cc(CN2CCN(c3ccccc3)CC2)c2c(ccc3ccccc32)o1 ZINC000054105964 132376134 /nfs/dbraw/zinc/37/61/34/132376134.db2.gz ZABWPWQSDAKQML-UHFFFAOYSA-N 0 1 370.452 4.268 50 5 aggregator FIBAMN CC(=O)Oc1ccc(-c2csc(Nc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000005065203 570580733 /nfs/dbraw/zinc/58/07/33/570580733.db2.gz KJTULBDUXLRBOG-UHFFFAOYSA-N 0 1 355.375 4.387 50 5 FIBAMN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000040080437 571073246 /nfs/dbraw/zinc/07/32/46/571073246.db2.gz KUUPLHWDKNZFQD-NSHDSACASA-N 0 1 364.361 4.051 50 5 FIBAMN O=[N+]([O-])c1ccc(N2CCN(Cc3cccc4ccccc43)CC2)c(F)c1 ZINC000084598444 571091705 /nfs/dbraw/zinc/09/17/05/571091705.db2.gz ZICPTYGDXJBKST-UHFFFAOYSA-N 0 1 365.408 4.209 50 5 FIBAMN O=[N+]([O-])c1cccc(-c2cc(-c3cc(Br)ccc3O)n[nH]2)c1 ZINC000095351715 571328902 /nfs/dbraw/zinc/32/89/02/571328902.db2.gz MIYNNLULSJIJKK-UHFFFAOYSA-N 0 1 360.167 4.120 50 5 FIBAMN O=C(N[C@H](c1cccs1)C1CCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000032397765 571357277 /nfs/dbraw/zinc/35/72/77/571357277.db2.gz CSFQSIXMIQIHDZ-INIZCTEOSA-N 0 1 370.434 4.194 50 5 FIBAMN COc1cc2c(cc1OC)C1(CCCC1)CN[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000019312884 211213651 /nfs/dbraw/zinc/21/36/51/211213651.db2.gz KVEIQKZBFJMKFL-FQEVSTJZSA-N 0 1 368.433 4.116 50 5 biogenic FIBAMN O=[N+]([O-])c1ccc(CN2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000253428098 571313239 /nfs/dbraw/zinc/31/32/39/571313239.db2.gz IEMSPSPSVHSUIY-KRWDZBQOSA-N 0 1 356.813 4.462 50 5 FIBAMN O=[N+]([O-])c1cc2c(cc1CN[C@@H](c1ccc(Cl)cc1)C1CC1)OCO2 ZINC000061028599 212024146 /nfs/dbraw/zinc/02/41/46/212024146.db2.gz YGOZOIDTXXHSJK-GOSISDBHSA-N 0 1 360.797 4.218 50 5 FIBAMN CC(C)(C)[C@@H](NCn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccs1 ZINC000048340537 570947658 /nfs/dbraw/zinc/94/76/58/570947658.db2.gz ZOMJOIZHCPDGDT-INIZCTEOSA-N 0 1 371.466 4.249 50 5 FIBAMN COc1cc(CN(C)Cc2cccc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000023279914 211381069 /nfs/dbraw/zinc/38/10/69/211381069.db2.gz LGOSFVKRHRDKKZ-UHFFFAOYSA-N 0 1 366.417 4.397 50 5 FIBAMN CCOC(=O)c1ccc2nc(C)cc(Nc3cccc([N+](=O)[O-])c3)c2c1 ZINC000000952840 210294973 /nfs/dbraw/zinc/29/49/73/210294973.db2.gz DBRJUHNHBARXEX-UHFFFAOYSA-N 0 1 351.362 4.372 50 5 FIBAMN O=c1oc2ccc3ccccc3c2cc1-c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000004566817 570836919 /nfs/dbraw/zinc/83/69/19/570836919.db2.gz DEELYHNVGYOIKD-UHFFFAOYSA-N 0 1 357.325 4.398 50 5 FIBAMN COc1ccc(-c2n[nH]c(S[C@@H](C)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000007866287 571290478 /nfs/dbraw/zinc/29/04/78/571290478.db2.gz CQYXHSFHTKDXCH-NSHDSACASA-N 0 1 356.407 4.242 50 5 FIBAMN CC(C)(C)c1ccc(-c2n[nH]c(Sc3ccc([N+](=O)[O-])cn3)n2)cc1 ZINC000012369576 571322393 /nfs/dbraw/zinc/32/23/93/571322393.db2.gz UCLZLQCVBKXRAT-UHFFFAOYSA-N 0 1 355.423 4.224 50 5 FIBAMN C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000040080439 220876948 /nfs/dbraw/zinc/87/69/48/220876948.db2.gz KUUPLHWDKNZFQD-LLVKDONJSA-N 0 1 364.361 4.051 50 5 FIBAMN O=C(Nc1ccc([N+](=O)[O-])cc1O)[C@@H]1CC1(c1ccccc1)c1ccccc1 ZINC000005092010 1086522000 /nfs/dbraw/zinc/52/20/00/1086522000.db2.gz QHUQDMDYAONQLP-SFHVURJKSA-N 0 1 374.396 4.245 50 5 FIBAMN Cc1cccc(C(C)C)c1NS(=O)(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000020491924 220328932 /nfs/dbraw/zinc/32/89/32/220328932.db2.gz AMOJDPLJBNVSJZ-UHFFFAOYSA-N 0 1 373.434 4.309 50 5 FIBAMN O=[N+]([O-])c1ccccc1N1CCN(Cc2csc3ccccc23)CC1 ZINC000028620161 571340119 /nfs/dbraw/zinc/34/01/19/571340119.db2.gz ROOSQVIDLMUHMM-UHFFFAOYSA-N 0 1 353.447 4.132 50 5 FIBAMN COc1cc(C[N@@H+](C)Cc2cccc3ccccc32)cc([N+](=O)[O-])c1[O-] ZINC000001225379 219391199 /nfs/dbraw/zinc/39/11/99/219391199.db2.gz POTLAKRRQUXMMK-UHFFFAOYSA-N 0 1 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