smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)cc(Cl)c1[O-] ZINC000012935772 1124710769 /nfs/dbraw/zinc/71/07/69/1124710769.db2.gz QKUOIEFUXUDMQC-BQYQJAHWSA-N -1 3 371.820 4.077 50 30 FIEAHM CC1(C)CC(=O)C2=C(C1)NC([S-])=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000004844155 206181094 /nfs/dbraw/zinc/18/10/94/206181094.db2.gz VGWAAZWZWIXQIV-WFASDCNBSA-N -1 3 355.419 4.232 50 30 FIEAHM CSC(=Nc1cccc(Cl)c1C)[N-]S(=O)(=O)c1cccs1 ZINC000012589949 525285697 /nfs/dbraw/zinc/28/56/97/525285697.db2.gz QKNYGKBVLHOVDL-UHFFFAOYSA-N -1 3 360.913 4.230 50 30 FIEAHM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C=Cc1c(F)cccc1F ZINC000147713785 525437574 /nfs/dbraw/zinc/43/75/74/525437574.db2.gz VSMVUBJFIOMHHI-KVPUOBJLSA-N -1 3 364.351 4.360 50 30 FIEAHM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])C=Cc1c(F)cccc1F ZINC000147713785 525437577 /nfs/dbraw/zinc/43/75/77/525437577.db2.gz VSMVUBJFIOMHHI-KVPUOBJLSA-N -1 3 364.351 4.360 50 30 FIEAHM [O-]c1ccccc1-c1cc(-c2ccccc2)nc(N=NCc2cccnc2)n1 ZINC000004844338 526367928 /nfs/dbraw/zinc/36/79/28/526367928.db2.gz SPMBLPOAWICZPD-BUVRLJJBSA-N -1 3 367.412 4.357 50 30 FIEAHM Cc1c(-c2cc(-c3ccc([O-])c(O)c3)c(C#N)c(N)n2)c2ccccc2n1C ZINC000071755050 570511411 /nfs/dbraw/zinc/51/14/11/570511411.db2.gz IGGNLVPQJWOVEJ-UHFFFAOYSA-N -1 3 370.412 4.081 50 30 FIEAHM N#Cc1c(N)nc2c(c1-c1cccc3cnccc31)Cc1c-2cccc1[O-] ZINC000071774857 570512566 /nfs/dbraw/zinc/51/25/66/570512566.db2.gz DQWZGCOCFVEXPZ-UHFFFAOYSA-N -1 3 350.381 4.027 50 30 FIEAHM COc1ccc(OC)c(NC(=O)c2oc3c(c2C)/C(=N\[O-])CC(C)(C)C3)c1 ZINC000101108472 570816525 /nfs/dbraw/zinc/81/65/25/570816525.db2.gz XGYRECIIYGSKLW-HMAPJEAMSA-N -1 3 372.421 4.008 50 30 FIEAHM Cc1ccc(CN2CCN(/N=C\c3c([O-])ccc4ccccc43)CC2)cc1 ZINC000033089333 571155192 /nfs/dbraw/zinc/15/51/92/571155192.db2.gz NUQJUDXIJOFSQB-JLPGSUDCSA-N -1 3 359.473 4.006 50 30 FIEAHM N#Cc1ccnc([N-]C(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c1 ZINC000170610438 571267470 /nfs/dbraw/zinc/26/74/70/571267470.db2.gz HROWDDYPXGEDNT-UHFFFAOYSA-N -1 3 362.003 4.214 50 30 FIEAHM O=C1c2ccc([O-])c(CN3CCCCCC3)c2O/C1=C\c1cccs1 ZINC000002324028 571318134 /nfs/dbraw/zinc/31/81/34/571318134.db2.gz RAMRVNMFLOGQHF-PDGQHHTCSA-N -1 3 355.459 4.446 50 30 FIEAHM CC1CCN(Cc2c3c(ccc2[O-])C(=O)/C(=C/c2cccs2)O3)CC1 ZINC000020503417 571330097 /nfs/dbraw/zinc/33/00/97/571330097.db2.gz BBWNCFVWFPIWFP-WQRHYEAKSA-N -1 3 355.459 4.302 50 30 biogenic FIEAHM C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1[O-] ZINC000001118947 203859633 /nfs/dbraw/zinc/85/96/33/203859633.db2.gz KWRLRPAFPLZYKM-UHFFFAOYSA-N -1 3 368.418 4.037 50 30 FIEAHM Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/c2ccc([O-])cc2)cc1 ZINC000003112555 204078719 /nfs/dbraw/zinc/07/87/19/204078719.db2.gz STQMZXKRKHHOOQ-KGENOOAVSA-N -1 3 367.426 4.219 50 30 FIEAHM O=C1C(=O)N(c2ccccn2)[C@H](c2ccc(F)cc2)C1=C([O-])c1ccccc1 ZINC000005593826 204217343 /nfs/dbraw/zinc/21/73/43/204217343.db2.gz FVRYMKDHGYPBNP-LJQANCHMSA-N -1 3 374.371 4.004 50 30 FIEAHM N#Cc1c([N-]C(=O)c2cc(-c3ccc(O)cc3)on2)sc2c1CCCC2 ZINC000004880677 204171794 /nfs/dbraw/zinc/17/17/94/204171794.db2.gz VOEPOFSHMPPYHO-UHFFFAOYSA-N -1 3 365.414 4.111 50 30 FIEAHM O=c1[n-][nH]c(=O)c2ccc(N=Cc3c4ccccc4cc4ccccc43)cc12 ZINC000006694787 204260913 /nfs/dbraw/zinc/26/09/13/204260913.db2.gz WUGQBEQEWVDENP-ZMOGYAJESA-N -1 3 365.392 4.273 50 30 FIEAHM O=c1[n-][nH]c(=O)c2cc(N=Cc3c4ccccc4cc4ccccc43)ccc12 ZINC000006694787 204260917 /nfs/dbraw/zinc/26/09/17/204260917.db2.gz WUGQBEQEWVDENP-ZMOGYAJESA-N -1 3 365.392 4.273 50 30 FIEAHM O=C1C(=O)N(c2cccnc2)[C@H](c2cccc(F)c2)C1=C([O-])c1ccccc1 ZINC000009090148 204354397 /nfs/dbraw/zinc/35/43/97/204354397.db2.gz OOSJFLCUJDXWFR-LJQANCHMSA-N -1 3 374.371 4.004 50 30 FIEAHM O=c1[nH][n-]c2c1[C@@H](c1cccs1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018197252 220227957 /nfs/dbraw/zinc/22/79/57/220227957.db2.gz YIMGCLUUOUODTJ-VFZGTOFNSA-N -1 3 369.471 4.197 50 30 FIEAHM O=c1[n-][nH]c2c1[C@@H](c1cccs1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018197252 220227959 /nfs/dbraw/zinc/22/79/59/220227959.db2.gz YIMGCLUUOUODTJ-VFZGTOFNSA-N -1 3 369.471 4.197 50 30 FIEAHM COc1cc(/C=C\C(=O)c2ccc(F)c(F)c2)cc(Br)c1[O-] ZINC000096765416 205881287 /nfs/dbraw/zinc/88/12/87/205881287.db2.gz PFVBFCKXCSNMLL-DJWKRKHSSA-N -1 3 369.161 4.338 50 30 FIEAHM O=C1Nc2ccccc2C1=N[N-]c1nnc(-c2ccccc2)c2ccccc21 ZINC000008381627 206215818 /nfs/dbraw/zinc/21/58/18/206215818.db2.gz BKOVIEJZBHKKKN-UHFFFAOYSA-N -1 3 365.396 4.065 50 30 FIEAHM COc1cc(/C=C\C(=O)c2ccc(OCC(C)C)cc2)cc(OC)c1[O-] ZINC000096759316 521981418 /nfs/dbraw/zinc/98/14/18/521981418.db2.gz DFINGCLNVQPBGM-YHYXMXQVSA-N -1 3 356.418 4.340 50 30 FIEAHM [O-]c1ccc2ccccc2c1/C=N/n1cnnc1SCc1ccccc1 ZINC000005486711 526354818 /nfs/dbraw/zinc/35/48/18/526354818.db2.gz KDWGOOLPCHTICQ-WSDLNYQXSA-N -1 3 360.442 4.311 50 30 FIEAHM O=C(C(=N[N-]c1ccccc1[N+](=O)[O-])C(=O)c1ccccc1)c1ccccc1 ZINC000004551301 527663777 /nfs/dbraw/zinc/66/37/77/527663777.db2.gz XXCZUTWHLOHMOU-UHFFFAOYSA-N -1 3 373.368 4.129 50 30 FIEAHM CC1(C)Cc2ccccc2C(C(=N[O-])C2=NC(C)(C)Cc3ccccc32)=N1 ZINC000000728292 570454078 /nfs/dbraw/zinc/45/40/78/570454078.db2.gz NURLKJCZMHOSCW-UHFFFAOYSA-N -1 3 359.473 4.465 50 30 FIEAHM O=C(/C(=C\c1ccc([O-])cc1)c1nc2ccccc2[nH]c1=O)c1ccccc1 ZINC000229984045 570767505 /nfs/dbraw/zinc/76/75/05/570767505.db2.gz IQUWPYXNOUJIPV-JXAWBTAJSA-N -1 3 368.392 4.052 50 30 FIEAHM COc1cc(C=NN2CC(c3ccccc3)=NC2=S)cc(Cl)c1[O-] ZINC000252452393 571278783 /nfs/dbraw/zinc/27/87/83/571278783.db2.gz GLTVMUHXGMJFND-UHFFFAOYSA-N -1 3 359.838 4.089 50 30 FIEAHM COc1ccc(N=C2S/C(=C/c3cc(Cl)ccc3[O-])C(=O)N2C)cc1 ZINC000252636950 571291448 /nfs/dbraw/zinc/29/14/48/571291448.db2.gz XOFNEIDZUISPHY-MSWOZKQMSA-N -1 3 374.849 4.288 50 30 FIEAHM C[C@@H]1c2c(c([O-])ccc2Cl)C(=O)/C1=C\c1cnc(-c2ncccn2)s1 ZINC000170657525 1115746338 /nfs/dbraw/zinc/74/63/38/1115746338.db2.gz QWDFAFYZXPPYQS-MKVDPYIPSA-N -1 3 369.833 4.343 50 30 FIEAHM O=C1c2ccc([O-])c(CN3CCCC3)c2O/C1=C\c1ccccc1Cl ZINC000004339733 203920121 /nfs/dbraw/zinc/92/01/21/203920121.db2.gz XHKNFHXUEYICEN-WQRHYEAKSA-N -1 3 355.821 4.258 50 30 FIEAHM N#Cc1c([N-]C(=S)NC(=O)c2ccccc2)sc2c1CCCCCC2 ZINC000002316366 204034613 /nfs/dbraw/zinc/03/46/13/204034613.db2.gz VSXGWANRHZIZEE-UHFFFAOYSA-N -1 3 369.515 4.406 50 30 FIEAHM CCCCC(=O)NC([N-]c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F ZINC000005645553 204220183 /nfs/dbraw/zinc/22/01/83/204220183.db2.gz LFGLDLOKCQZXSK-UHFFFAOYSA-N -1 3 360.273 4.365 50 30 FIEAHM O=C1[N-]/C(=N/N=C/c2ccccc2)S[C@H]1Cc1cccc2ccccc21 ZINC000006133178 204238245 /nfs/dbraw/zinc/23/82/45/204238245.db2.gz YDSJYRGHGMNYHW-KWJZBXMYSA-N -1 3 359.454 4.004 50 30 FIEAHM O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1ccccc1 ZINC000006139513 204238813 /nfs/dbraw/zinc/23/88/13/204238813.db2.gz NEDVLBJVXXPBHL-SFHVURJKSA-N -1 3 357.413 4.142 50 30 FIEAHM CCOc1cc(/C=C/C(=O)c2ccc([O-])c(OC)c2)ccc1OC(F)F ZINC000008322794 204325824 /nfs/dbraw/zinc/32/58/24/204325824.db2.gz IDECVCPSMSAVTO-QPJJXVBHSA-N -1 3 364.344 4.297 50 30 FIEAHM COc1cc(-c2cc(-c3cccc4ncccc43)c(C#N)c(N)n2)ccc1[O-] ZINC000067965143 205407221 /nfs/dbraw/zinc/40/72/21/205407221.db2.gz BFRSNKOLZJTJHG-UHFFFAOYSA-N -1 3 368.396 4.132 50 30 FIEAHM O=C1C(=O)N(c2ccccc2)[C@H](c2ccc(F)cc2)C1=C([O-])c1ccccc1 ZINC000100439880 206223453 /nfs/dbraw/zinc/22/34/53/206223453.db2.gz BQEHVJQOZUWCQY-YDJIHCHBSA-N -1 3 373.383 4.452 50 30 FIEAHM COc1cc(/C=C2\S/C(=N/c3ccc(C)cc3)NC2=O)cc(Cl)c1[O-] ZINC000005531818 206240668 /nfs/dbraw/zinc/24/06/68/206240668.db2.gz VJARRKZORKXJJM-DHDCSXOGSA-N -1 3 374.849 4.254 50 30 FIEAHM Cc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ccccn2)cc1 ZINC000100136388 570523485 /nfs/dbraw/zinc/52/34/85/570523485.db2.gz RMCVKWXJZKBMDA-YDJIHCHBSA-N -1 3 370.408 4.016 50 30 FIEAHM Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccccn2)cc1 ZINC000100136388 570523489 /nfs/dbraw/zinc/52/34/89/570523489.db2.gz RMCVKWXJZKBMDA-YDJIHCHBSA-N -1 3 370.408 4.016 50 30 FIEAHM Cc1c(/N=C/c2c([O-])ccc3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000012372086 571115824 /nfs/dbraw/zinc/11/58/24/571115824.db2.gz SFKAWDFUODXKKF-OEAKJJBVSA-N -1 3 357.413 4.094 50 30 FIEAHM COc1cc(C(=O)/C=C/c2cnn(-c3ccc(Cl)cc3)c2)ccc1[O-] ZINC000065488133 571263870 /nfs/dbraw/zinc/26/38/70/571263870.db2.gz BNTIXUJUBXTYDV-KRXBUXKQSA-N -1 3 354.793 4.136 50 30 FIEAHM O=[N+]([O-])c1cccc(-c2nc3ccccn3c2N=Cc2ccccc2[O-])c1 ZINC000252612255 571285702 /nfs/dbraw/zinc/28/57/02/571285702.db2.gz IRAIIIMIMOCDDO-UHFFFAOYSA-N -1 3 358.357 4.366 50 30 FIEAHM COc1cc(/C=C2\SC(=Nc3ccccc3)N(C)C2=O)cc(Cl)c1[O-] ZINC000252623487 571288441 /nfs/dbraw/zinc/28/84/41/571288441.db2.gz OSTATBBUGDXUAS-RBVMOECKSA-N -1 3 374.849 4.288 50 30 FIEAHM CCOC(=O)[C@@]([O-])(c1ccc(N=Cc2ccccc2)c(C)c1)C(F)(F)F ZINC000252626973 571289047 /nfs/dbraw/zinc/28/90/47/571289047.db2.gz RJKYDMFXSUINFQ-SFHVURJKSA-N -1 3 365.351 4.059 50 30 FIEAHM COc1ccc(-c2c(C)sc([N-]C(=O)c3cc(C)on3)c2C#N)cc1 ZINC000013328112 571323211 /nfs/dbraw/zinc/32/32/11/571323211.db2.gz OKVKTJGZSJKRHI-UHFFFAOYSA-N -1 3 353.403 4.153 50 30 FIEAHM Cc1cc([O-])c(CN2CCCCCC2)c2c1C(=O)/C(=C/c1ccncc1)O2 ZINC000020589349 571331545 /nfs/dbraw/zinc/33/15/45/571331545.db2.gz RQOJNJBJKQWCFB-UYRXBGFRSA-N -1 3 364.445 4.088 50 30 FIEAHM COc1cc(C(=O)/C=C/c2ccc(F)c(Br)c2)ccc1[O-] ZINC000013137341 1083721445 /nfs/dbraw/zinc/72/14/45/1083721445.db2.gz ANMMTZTWFDABJM-ZZXKWVIFSA-N -1 3 351.171 4.199 50 30 FIEAHM O=C(Nc1ccc(/N=C/c2ccc([O-])cc2O)cc1)c1ccc(F)cc1 ZINC000001424014 204005509 /nfs/dbraw/zinc/00/55/09/204005509.db2.gz XCYURKCBJYVBFH-WSDLNYQXSA-N -1 3 350.349 4.240 50 30 FIEAHM O=C(Nc1ccc(/N=C/c2ccc(O)cc2[O-])cc1)c1ccc(F)cc1 ZINC000001424014 204005513 /nfs/dbraw/zinc/00/55/13/204005513.db2.gz XCYURKCBJYVBFH-WSDLNYQXSA-N -1 3 350.349 4.240 50 30 FIEAHM [O-]/N=C/c1ccc(OC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1 ZINC000006475206 204249403 /nfs/dbraw/zinc/24/94/03/204249403.db2.gz SHMUXVRDOIWDHZ-WQGFDPGOSA-N -1 3 360.413 4.043 50 30 FIEAHM COc1cc(/C=C/C(=O)c2ccccc2F)cc(Br)c1[O-] ZINC000007000277 204285422 /nfs/dbraw/zinc/28/54/22/204285422.db2.gz VXZCMYNLBZKFDS-VOTSOKGWSA-N -1 3 351.171 4.199 50 30 FIEAHM O=c1[nH][n-]c2c1[C@@H](c1ccccc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018196464 220227265 /nfs/dbraw/zinc/22/72/65/220227265.db2.gz SUEPHMDAPYHWDV-LRDDRELGSA-N -1 3 363.442 4.135 50 30 FIEAHM CCCc1cc(-c2nc(C)c(C(C)=N[N-]c3nc(C)cs3)s2)ccn1 ZINC000008767881 263357189 /nfs/dbraw/zinc/35/71/89/263357189.db2.gz XZVPRIIBOIHPPY-LPYMAVHISA-N -1 3 371.535 4.489 50 30 FIEAHM COc1ccc(/N=C2/S/C(=C\c3cc(Cl)ccc3[O-])C(=O)N2C)cc1 ZINC000097466875 570488023 /nfs/dbraw/zinc/48/80/23/570488023.db2.gz XOFNEIDZUISPHY-NIQTYAIASA-N -1 3 374.849 4.288 50 30 FIEAHM O=C1C(=O)N(c2ccccc2)[C@@H](c2ccccc2)C1=C([O-])c1ccccc1 ZINC000100439890 570557442 /nfs/dbraw/zinc/55/74/42/570557442.db2.gz UQBGJFLODCDKNC-NHFXJNLRSA-N -1 3 355.393 4.313 50 30 FIEAHM O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@H]1c1ccccc1)c1ccccc1 ZINC000100439890 570557446 /nfs/dbraw/zinc/55/74/46/570557446.db2.gz UQBGJFLODCDKNC-NHFXJNLRSA-N -1 3 355.393 4.313 50 30 FIEAHM C=CCN(CC=C)Cc1c2c(ccc1[O-])oc(C)c2C(=O)NC1CCCC1 ZINC000005182770 570630081 /nfs/dbraw/zinc/63/00/81/570630081.db2.gz YOHDJYMXYQYNRW-UHFFFAOYSA-N -1 3 368.477 4.293 50 30 FIEAHM O=C1C[C@@H](c2ccccc2)CC2=Nc3nonc3[N-][C@H](c3cccs3)C12 ZINC000040267180 571092420 /nfs/dbraw/zinc/09/24/20/571092420.db2.gz GBXYZFBNVDHXJQ-YVEFUNNKSA-N -1 3 364.430 4.111 50 30 FIEAHM Cc1nn(-c2ccc(F)cc2F)c(C)c1/C=C1/Cc2c(cccc2[O-])C1=O ZINC000071798841 571125835 /nfs/dbraw/zinc/12/58/35/571125835.db2.gz SVSULUSRJXWUEG-JYRVWZFOSA-N -1 3 366.367 4.295 50 30 FIEAHM CCN(CC)c1ccc(C=Nc2ccc3c(C)cc(=O)oc3c2)c([O-])c1 ZINC000252619446 571189757 /nfs/dbraw/zinc/18/97/57/571189757.db2.gz LPPJTKAPAPYSMA-UHFFFAOYSA-N -1 3 350.418 4.404 50 30 FIEAHM CCOC(=O)[C@]([O-])(c1ccc(N=Cc2ccccc2)c(C)c1)C(F)(F)F ZINC000252626972 571289078 /nfs/dbraw/zinc/28/90/78/571289078.db2.gz RJKYDMFXSUINFQ-GOSISDBHSA-N -1 3 365.351 4.059 50 30 FIEAHM CO[P@@](=O)(C#Cc1ccccc1)[C@]([O-])(c1ccccc1)C(F)(F)F ZINC000002316790 571317654 /nfs/dbraw/zinc/31/76/54/571317654.db2.gz JETBBCIKNHGVGW-GYCJOSAFSA-N -1 3 354.264 4.328 50 30 FIEAHM Cc1cc([O-])c(CN2CCCC[C@H]2C)c2c1C(=O)/C(=C/c1cccnc1)O2 ZINC000020573555 571331196 /nfs/dbraw/zinc/33/11/96/571331196.db2.gz NNLQXPDVNZVONW-MXDDHBLUSA-N -1 3 364.445 4.086 50 30 FIEAHM COc1cc(C(=O)/C=C\c2ccc(Br)cc2F)ccc1[O-] ZINC000096792670 1111667917 /nfs/dbraw/zinc/66/79/17/1111667917.db2.gz GUJUXNOHUNLHHL-UTCJRWHESA-N -1 3 351.171 4.199 50 30 FIEAHM CCOC(=O)[C@]([O-])(c1ccc(/N=C/c2ccccc2)c(C)c1)C(F)(F)F ZINC000002050599 204025484 /nfs/dbraw/zinc/02/54/84/204025484.db2.gz RJKYDMFXSUINFQ-BYWZACNXSA-N -1 3 365.351 4.059 50 30 FIEAHM O=C1[N-]/C(=N\c2ccccc2)S[C@@H]1Cc1cccc(Cl)c1Cl ZINC000005593932 204217380 /nfs/dbraw/zinc/21/73/80/204217380.db2.gz YTINGRSICPDNLG-CYBMUJFWSA-N -1 3 351.258 4.455 50 30 FIEAHM CCn1c2ccccc2c2cc(/N=C/c3c([O-])c(C)ncc3CO)ccc21 ZINC000005110588 204191352 /nfs/dbraw/zinc/19/13/52/204191352.db2.gz VJCNXIWXRMJNOX-WYMPLXKRSA-N -1 3 359.429 4.466 50 30 FIEAHM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccc3)[C@H]2c2cccnc2)cc1 ZINC000008715714 204341200 /nfs/dbraw/zinc/34/12/00/204341200.db2.gz WWMATYMRTUDVMU-FQEVSTJZSA-N -1 3 370.408 4.173 50 30 FIEAHM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccc3)[C@H]2c2cccnc2)cc1 ZINC000008715714 204341202 /nfs/dbraw/zinc/34/12/02/204341202.db2.gz WWMATYMRTUDVMU-FQEVSTJZSA-N -1 3 370.408 4.173 50 30 FIEAHM C=CCOc1ccc(/C=C2\SC(=O)N(c3ccc([O-])cc3)C2=O)cc1 ZINC000002211205 206153649 /nfs/dbraw/zinc/15/36/49/206153649.db2.gz YIGMFJQSZMQZCJ-ATVHPVEESA-N -1 3 353.399 4.198 50 30 FIEAHM CC1(C)CC(=O)C2=C(C1)NC([S-])=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000004844157 206180797 /nfs/dbraw/zinc/18/07/97/206180797.db2.gz VGWAAZWZWIXQIV-DOMZBBRYSA-N -1 3 355.419 4.232 50 30 FIEAHM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(C)cc2)no1 ZINC000005884193 206199297 /nfs/dbraw/zinc/19/92/97/206199297.db2.gz 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[O-]c1ccc(Br)cc1/C=N/N=C1/C[C@H](c2ccccc2)N=N1 ZINC000013563792 570779381 /nfs/dbraw/zinc/77/93/81/570779381.db2.gz IUTUYKAZMWANOF-FZWIEUJTSA-N -1 3 357.211 4.484 50 30 FIEAHM Cc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2cccnc2)cc1 ZINC000102525218 570833893 /nfs/dbraw/zinc/83/38/93/570833893.db2.gz ZCAPIJFGABDPPQ-NHFXJNLRSA-N -1 3 370.408 4.016 50 30 FIEAHM Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccnc2)cc1 ZINC000102525218 570833896 /nfs/dbraw/zinc/83/38/96/570833896.db2.gz ZCAPIJFGABDPPQ-NHFXJNLRSA-N -1 3 370.408 4.016 50 30 FIEAHM COc1ccc(C(=O)/C=C/c2cc(Br)c([O-])c(OC)c2)cc1 ZINC000004776722 571131771 /nfs/dbraw/zinc/13/17/71/571131771.db2.gz XXQPBJAKXOSLTL-FPYGCLRLSA-N -1 3 363.207 4.068 50 30 FIEAHM Cc1c(N=Cc2cc3ccccc3[n-]c2=S)c(=O)n(-c2ccccc2)n1C ZINC000252627956 571289191 /nfs/dbraw/zinc/28/91/91/571289191.db2.gz SEVVUNSRIPSMMT-UHFFFAOYSA-N -1 3 374.469 4.446 50 30 FIEAHM COc1cc(Br)cc(C=Nc2ccc3ccncc3c2)c1[O-] ZINC000252628079 571289290 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50 30 FIEAHM Cc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2cccnc2)cc1 ZINC000008464107 204332847 /nfs/dbraw/zinc/33/28/47/204332847.db2.gz FDCKLLAKJQNSCV-FQEVSTJZSA-N -1 3 370.408 4.173 50 30 FIEAHM Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccnc2)cc1 ZINC000008464107 204332851 /nfs/dbraw/zinc/33/28/51/204332851.db2.gz FDCKLLAKJQNSCV-FQEVSTJZSA-N -1 3 370.408 4.173 50 30 FIEAHM Cc1cc(C)c(C#N)c(SCc2nc3c4ccccc4oc3c(=O)[n-]2)n1 ZINC000061141269 205284931 /nfs/dbraw/zinc/28/49/31/205284931.db2.gz QTTOVJDHQVQGLY-UHFFFAOYSA-N -1 3 362.414 4.257 50 30 FIEAHM COc1cc(C(=O)/C=C/c2c(C)nn(-c3ccc(F)cc3)c2C)ccc1[O-] ZINC000007909575 522050618 /nfs/dbraw/zinc/05/06/18/522050618.db2.gz GQCCVADTFZAZLP-PKNBQFBNSA-N -1 3 366.392 4.239 50 30 FIEAHM COc1cc(C(=O)/C=C/c2cc(Br)ccc2OC)ccc1[O-] ZINC000013137337 522050784 /nfs/dbraw/zinc/05/07/84/522050784.db2.gz WNRAXLSKKWHESB-GQCTYLIASA-N -1 3 363.207 4.068 50 30 FIEAHM S=c1[n-]c(NN=Cc2ccccc2OCc2ccccc2Cl)n[nH]1 ZINC000035657501 526389225 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50 30 FIEAHM Cc1cc([O-])c(CN2CCCC[C@@H]2C)c2c1C(=O)/C(=C/c1cccnc1)O2 ZINC000020573556 571331170 /nfs/dbraw/zinc/33/11/70/571331170.db2.gz NNLQXPDVNZVONW-VUQQOUJSSA-N -1 3 364.445 4.086 50 30 FIEAHM COc1cc(/C=C\C(=O)c2ccccc2-n2cccn2)cc(Cl)c1[O-] ZINC000096298066 571335180 /nfs/dbraw/zinc/33/51/80/571335180.db2.gz WLQQRFVTVRDNIH-FPLPWBNLSA-N -1 3 354.793 4.136 50 30 FIEAHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1ccc(-n2ccnc2)c(F)c1 ZINC000101276672 1118633861 /nfs/dbraw/zinc/63/38/61/1118633861.db2.gz XFXXHYAYKNFQRA-ZWSXMNCCSA-N -1 3 352.340 4.240 50 30 FIEAHM Cc1ccc(/N=C/c2cc(I)cc(C)c2O)c([O-])c1 ZINC000001502108 204010630 /nfs/dbraw/zinc/01/06/30/204010630.db2.gz KDHQDYAIAKOWRN-CAOOACKPSA-N -1 3 367.186 4.070 50 30 FIEAHM Cc1cc(O)c(/N=C/c2cc(I)ccc2[O-])cc1C ZINC000003084918 204078859 /nfs/dbraw/zinc/07/88/59/204078859.db2.gz YAVJKTDNWAGJBV-CAOOACKPSA-N -1 3 367.186 4.070 50 30 FIEAHM CS/C(=N\c1ccccc1)N/N=C/c1cc(Br)ccc1[O-] ZINC000004587809 204149125 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C=CCN1CCc2c(Br)c([O-])c(O)cc2[C@H](c2ccccc2)C1 ZINC000002530682 206103314 /nfs/dbraw/zinc/10/33/14/206103314.db2.gz KKZGFVAZUKHFAC-INIZCTEOSA-N -1 3 374.278 4.036 50 30 FIEAHM O=C1C(=O)N(c2ccccc2)[C@H](c2ccccc2)C1=C([O-])c1ccc(F)cc1 ZINC000104130202 206236161 /nfs/dbraw/zinc/23/61/61/206236161.db2.gz BBAYGBXOSDVSBC-YDJIHCHBSA-N -1 3 373.383 4.452 50 30 FIEAHM COc1cccc(C(=O)/C=C\c2cc(Br)c([O-])c(OC)c2)c1 ZINC000096766646 525778821 /nfs/dbraw/zinc/77/88/21/525778821.db2.gz IFUGHLCEIQHFKO-SREVYHEPSA-N -1 3 363.207 4.068 50 30 FIEAHM C[C@H]1CCc2sc([N-]C(=O)c3ccc(Br)o3)c(C#N)c2C1 ZINC000000758767 568152151 /nfs/dbraw/zinc/15/21/51/568152151.db2.gz OWQFUCMFTFGVKR-QMMMGPOBSA-N -1 3 365.252 4.352 50 30 FIEAHM N#Cc1c([N-]C(=S)NC(=O)c2ccccc2)sc2c1CCCCC2 ZINC000000827137 568308955 /nfs/dbraw/zinc/30/89/55/568308955.db2.gz NZRTWPXMSDDNKA-UHFFFAOYSA-N -1 3 355.488 4.015 50 30 FIEAHM O=C(/C=C\c1cccc(Cl)c1)c1cc(Br)ccc(=O)c1[O-] ZINC000097474826 570688052 /nfs/dbraw/zinc/68/80/52/570688052.db2.gz IWUQVYPVUROZLW-XQRVVYSFSA-N -1 3 365.610 4.064 50 30 FIEAHM Cc1c(Cl)cccc1NC(=O)C(C#N)=C([O-])c1ccc2ccccc2n1 ZINC000103504642 570850976 /nfs/dbraw/zinc/85/09/76/570850976.db2.gz ZXZFNSQISNNHOF-CQSZACIVSA-N -1 3 363.804 4.158 50 30 FIEAHM C=CCc1cccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c1[O-] ZINC000098086481 571236595 /nfs/dbraw/zinc/23/65/95/571236595.db2.gz ITBURWMZCQNIQA-GZTJUZNOSA-N -1 3 369.417 4.496 50 30 FIEAHM O=C1c2ccc([O-])c(CN3CCCCC3)c2O/C1=C\c1c[nH]c2ccccc12 ZINC000002338297 571318210 /nfs/dbraw/zinc/31/82/10/571318210.db2.gz BYKPYTIOLBIFST-MTJSOVHGSA-N -1 3 374.440 4.476 50 30 FIEAHM CC(C)n1cc(CC(=O)Nc2n[n-]c([C@@H]3CCCO3)n2)c2ccccc21 ZINC000095478640 571331033 /nfs/dbraw/zinc/33/10/33/571331033.db2.gz XBKLKHGWJPSOEJ-INIZCTEOSA-N -1 3 353.426 4.023 50 30 FIEAHM CCOc1cc(C=NN2CC(c3ccccc3)=NC2=S)cc(Cl)c1[O-] ZINC000263626579 1102755908 /nfs/dbraw/zinc/75/59/08/1102755908.db2.gz MEOSTZDXLXSBQU-UHFFFAOYSA-N -1 3 373.865 4.479 50 30 FIEAHM O=C1C(=O)N(c2ccccn2)[C@@H](c2ccccc2F)C1=C([O-])c1ccccc1 ZINC000004312041 204130999 /nfs/dbraw/zinc/13/09/99/204130999.db2.gz DKBXFDQZINNKNM-IBGZPJMESA-N -1 3 374.371 4.004 50 30 FIEAHM Cc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2cccnc2)cc1 ZINC000006420723 204248440 /nfs/dbraw/zinc/24/84/40/204248440.db2.gz FDCKLLAKJQNSCV-HXUWFJFHSA-N -1 3 370.408 4.173 50 30 FIEAHM Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccnc2)cc1 ZINC000006420723 204248443 /nfs/dbraw/zinc/24/84/43/204248443.db2.gz FDCKLLAKJQNSCV-HXUWFJFHSA-N -1 3 370.408 4.173 50 30 FIEAHM CCOc1ccc(/C=C2/Oc3c(ccc([O-])c3CN3CCCC3)C2=O)cc1 ZINC000037857691 205033626 /nfs/dbraw/zinc/03/36/26/205033626.db2.gz YBCPVRWNIMMFBU-DEDYPNTBSA-N -1 3 365.429 4.003 50 30 FIEAHM O=c1[n-][nH]c2c1[C@@H](c1c(F)cccc1Cl)C1=C(N2)c2ccccc2C1=O ZINC000018196142 220228017 /nfs/dbraw/zinc/22/80/17/220228017.db2.gz GORHZSNFURHHTC-ZDUSSCGKSA-N -1 3 367.767 4.073 50 30 FIEAHM Cc1ccc([C@@H]2c3c(=O)[n-][nH]c3NC3=C2C(=O)C[C@H](c2ccco2)C3)s1 ZINC000018200787 220228085 /nfs/dbraw/zinc/22/80/85/220228085.db2.gz CFXVDCWPURRYCX-HWPZZCPQSA-N -1 3 367.430 4.036 50 30 FIEAHM Cc1ccc([C@@H]2c3c(=O)[nH][n-]c3NC3=C2C(=O)C[C@H](c2ccco2)C3)s1 ZINC000018200787 220228087 /nfs/dbraw/zinc/22/80/87/220228087.db2.gz CFXVDCWPURRYCX-HWPZZCPQSA-N -1 3 367.430 4.036 50 30 FIEAHM Cn1c(C(C#N)=C([O-])C=Cc2cccc(C(F)(F)F)c2)nc2ccccc21 ZINC000033562637 263396465 /nfs/dbraw/zinc/39/64/65/263396465.db2.gz QPNBWJGTQQRSQE-KVPUOBJLSA-N -1 3 369.346 4.482 50 30 FIEAHM CCCN(CC#Cc1ccccc1)Cc1c2cc(C)ccc2[nH]c1C(=O)[O-] ZINC000055242919 571058451 /nfs/dbraw/zinc/05/84/51/571058451.db2.gz YPBJCGWCYGACSL-UHFFFAOYSA-N -1 3 360.457 4.438 50 30 FIEAHM Cc1ccccc1C(=O)NC(=S)[N-]c1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000000649972 571319109 /nfs/dbraw/zinc/31/91/09/571319109.db2.gz HCVKEOMJMKJSJH-LLVKDONJSA-N -1 3 369.515 4.180 50 30 FIEAHM Cc1nn(-c2ccc(F)cc2F)c(C)c1/C=C1\Cc2c(cccc2[O-])C1=O ZINC000096297950 571335157 /nfs/dbraw/zinc/33/51/57/571335157.db2.gz SVSULUSRJXWUEG-MDWZMJQESA-N -1 3 366.367 4.295 50 30 FIEAHM [O-]c1ccc(Br)cc1/C=N/N=C1\C[C@H](c2ccccc2)N=N1 ZINC000100827142 209218912 /nfs/dbraw/zinc/21/89/12/209218912.db2.gz IUTUYKAZMWANOF-OVCCHQLFSA-N -1 3 357.211 4.484 50 30 FIEAHM COc1ccc(OC)c(C=C2SC(=Nc3cccc([O-])c3)NC2=O)c1 ZINC000006641996 207150642 /nfs/dbraw/zinc/15/06/42/207150642.db2.gz MROVVINTKFGBFL-SXGWCWSVSA-N -1 3 356.403 4.141 50 30 FIEAHM O=C1[N-]/C(=N\c2ccc(F)cc2)S[C@H]1Cc1cccc(C(F)(F)F)c1 ZINC000013583319 207468527 /nfs/dbraw/zinc/46/85/27/207468527.db2.gz CKGXMIWILCXUKH-AWEZNQCLSA-N -1 3 368.355 4.306 50 30 FIEAHM Cc1[n-]n(-c2ccccc2)c(=O)c1C=[NH+][N-]c1cc(C)c2ccccc2n1 ZINC000095351712 209023291 /nfs/dbraw/zinc/02/32/91/209023291.db2.gz QNCMHDFFYHWLDE-LPYMAVHISA-N -1 3 357.417 4.189 50 30 FIEAHM CCOc1cc(/C=C\C(=O)c2ccc(OC)cc2F)cc(Cl)c1[O-] ZINC000096767515 520636797 /nfs/dbraw/zinc/63/67/97/520636797.db2.gz TWIXFOVMVYVVFD-DAXSKMNVSA-N -1 3 350.773 4.488 50 30 FIEAHM O=C1C(=O)N(c2ccccc2)[C@@H](c2ccc(F)cc2)C1=C([O-])c1ccccc1 ZINC000100439875 570557430 /nfs/dbraw/zinc/55/74/30/570557430.db2.gz BQEHVJQOZUWCQY-NHFXJNLRSA-N -1 3 373.383 4.452 50 30 FIEAHM O=C1[N-]/C(=N\c2ccc(Cl)cc2)S[C@H]1Cc1ccccc1Cl ZINC000013590594 570780072 /nfs/dbraw/zinc/78/00/72/570780072.db2.gz VRUGWFRVJHESGT-AWEZNQCLSA-N -1 3 351.258 4.455 50 30 FIEAHM COc1cc(-c2cc(-c3cc(F)c(F)cc3F)nc(N)c2C#N)ccc1[O-] ZINC000071419315 571120919 /nfs/dbraw/zinc/12/09/19/571120919.db2.gz BCMZCNNEYPQUSR-UHFFFAOYSA-N -1 3 371.318 4.001 50 30 FIEAHM O=C(Nc1n[n-]c(-c2cccs2)n1)c1ccc(SC(F)F)cc1 ZINC000057996464 571123794 /nfs/dbraw/zinc/12/37/94/571123794.db2.gz LTRCOKZQEWRVNI-UHFFFAOYSA-N -1 3 352.391 4.484 50 30 FIEAHM O=C(Nc1nnc(-c2cccs2)[n-]1)c1ccc(SC(F)F)cc1 ZINC000057996464 571123791 /nfs/dbraw/zinc/12/37/91/571123791.db2.gz LTRCOKZQEWRVNI-UHFFFAOYSA-N -1 3 352.391 4.484 50 30 FIEAHM CO[P@](=O)(C#Cc1ccccc1)[C@@]([O-])(c1ccccc1)C(F)(F)F ZINC000002316789 571317509 /nfs/dbraw/zinc/31/75/09/571317509.db2.gz JETBBCIKNHGVGW-UPCLLVRISA-N -1 3 354.264 4.328 50 30 FIEAHM Cc1cc([O-])c(CN2CCCC[C@@H]2C)c2c1C(=O)/C(=C/c1ccncc1)O2 ZINC000020573684 571331208 /nfs/dbraw/zinc/33/12/08/571331208.db2.gz WABAKMRZAIJNGU-CCRNYGKSSA-N -1 3 364.445 4.086 50 30 FIEAHM CCc1c(C)sc([N-]C(=O)c2noc3c2CCc2ccccc2-3)c1C#N ZINC000002465997 571337090 /nfs/dbraw/zinc/33/70/90/571337090.db2.gz LZDHJQNNCHLMBN-UHFFFAOYSA-N -1 3 363.442 4.497 50 30 FIEAHM O=C1[N-]/C(=N\c2ccccc2)S[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000006222671 219720788 /nfs/dbraw/zinc/72/07/88/219720788.db2.gz WMZFGLFJCDCHES-CQSZACIVSA-N -1 3 351.258 4.455 50 30 FIEAHM C/C(=N\N1C(=O)c2ccccc2N[C@@H]1c1ccccc1)c1ccccc1[O-] ZINC000101358569 209225390 /nfs/dbraw/zinc/22/53/90/209225390.db2.gz TXEVLGXTEJXXDR-SGSZHJQISA-N -1 3 357.413 4.383 50 30 FIEAHM O=C1C(=O)N(c2cccnc2)[C@H](c2ccccc2F)C1=C([O-])c1ccccc1 ZINC000004312104 207012233 /nfs/dbraw/zinc/01/22/33/207012233.db2.gz XIGUOQIINOUMRE-LJQANCHMSA-N -1 3 374.371 4.004 50 30 FIEAHM Cc1cc(NN=Cc2cc(Br)ccc2[O-])nc2ccccc12 ZINC000004981967 207067339 /nfs/dbraw/zinc/06/73/39/207067339.db2.gz XWEYJHXJCPJLIR-GRSHGNNSSA-N -1 3 356.223 4.457 50 30 FIEAHM COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Br)c1[O-] ZINC000005128600 207082641 /nfs/dbraw/zinc/08/26/41/207082641.db2.gz CXRVCTOVVVKDCZ-FARCUNLSSA-N -1 3 351.171 4.199 50 30 FIEAHM CCOC(=O)c1sc([N-]C(=O)c2c(F)cccc2Cl)c(C#N)c1C ZINC000036685969 207286394 /nfs/dbraw/zinc/28/63/94/207286394.db2.gz QLTDKRPHFFQWFK-UHFFFAOYSA-N -1 3 366.801 4.150 50 30 FIEAHM CCCCc1nnc([N-]C(=O)c2sc(-c3ccccn3)nc2C)s1 ZINC000023363739 263387205 /nfs/dbraw/zinc/38/72/05/263387205.db2.gz DVRRUOMYSDGFQL-UHFFFAOYSA-N -1 3 359.480 4.344 50 30 FIEAHM COc1cc(/C=C/C(=O)c2ccccc2C(F)(F)F)cc(OC)c1[O-] ZINC000007739265 568252693 /nfs/dbraw/zinc/25/26/93/568252693.db2.gz YUWTVKWTUMWEFN-BQYQJAHWSA-N -1 3 352.308 4.324 50 30 FIEAHM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@H]2c2ccccc2)no1 ZINC000017245809 570747958 /nfs/dbraw/zinc/74/79/58/570747958.db2.gz DPWRSMMXBGISFS-LJQANCHMSA-N -1 3 374.396 4.074 50 30 FIEAHM O=C1[N-]/C(=N\c2ccc(F)cc2)S[C@@H]1Cc1cccc(C(F)(F)F)c1 ZINC000013583316 570779963 /nfs/dbraw/zinc/77/99/63/570779963.db2.gz CKGXMIWILCXUKH-CQSZACIVSA-N -1 3 368.355 4.306 50 30 FIEAHM C=C(C)COc1ccc(-c2n[nH]cc2-c2ccc(OC)c(OC)c2)c([O-])c1 ZINC000018091290 570807461 /nfs/dbraw/zinc/80/74/61/570807461.db2.gz IVPPXEBYDMTEQN-UHFFFAOYSA-N -1 3 366.417 4.421 50 30 FIEAHM CCCCCCCC1=NN2C(=NC(=O)/C(=C/c3ccc([O-])cc3)C2=N)S1 ZINC000097958781 571201194 /nfs/dbraw/zinc/20/11/94/571201194.db2.gz UFMIKUSRHPFGTK-YXIKXFKQSA-N -1 3 370.478 4.372 50 30 FIEAHM [O-]c1ccc2ccccc2c1C=NN1C(=S)N=NC1c1ccc(F)cc1 ZINC000002336019 571277681 /nfs/dbraw/zinc/27/76/81/571277681.db2.gz WFDYNILXKVZQRT-SRZZPIQSSA-N -1 3 364.405 4.114 50 30 FIEAHM CC(=N[O-])[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=NO)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253531419 571318751 /nfs/dbraw/zinc/31/87/51/571318751.db2.gz KSSPDEQUJJVMTE-ZVZGYBOSSA-N -1 3 360.498 4.361 50 30 FIEAHM CCc1c(C)sc([N-]C(=O)c2cc(-c3ccccc3O)on2)c1C#N ZINC000003908601 571353189 /nfs/dbraw/zinc/35/31/89/571353189.db2.gz WDLFWSZBJRTKOD-UHFFFAOYSA-N -1 3 353.403 4.104 50 30 FIEAHM [O-]c1ccccc1/C=N/NC(=S)Nc1cc(C(F)(F)F)ccc1Cl ZINC000001044728 219356990 /nfs/dbraw/zinc/35/69/90/219356990.db2.gz CLPMGIKPQBWUHB-DNTJNYDQSA-N -1 3 373.787 4.385 50 30 FIEAHM C[C@H]1CCCc2sc([N-]C(=S)NC(=O)c3ccccc3)c(C#N)c21 ZINC000001146639 219379842 /nfs/dbraw/zinc/37/98/42/219379842.db2.gz GLZCJWRLOBYHFO-NSHDSACASA-N -1 3 355.488 4.186 50 30 FIEAHM COc1cc(/C=N/[O-])cc(Br)c1OCc1ccc(Cl)cc1 ZINC000100895642 209219437 /nfs/dbraw/zinc/21/94/37/209219437.db2.gz JYJAYGWGJVISOU-QGMBQPNBSA-N -1 3 370.630 4.498 50 30 FIEAHM [O-]N=C1c2cc(Br)ccc2-c2ccc(Br)cc21 ZINC000001042007 206857725 /nfs/dbraw/zinc/85/77/25/206857725.db2.gz FHYHSUARESFQSI-UHFFFAOYSA-N -1 3 353.013 4.419 50 30 FIEAHM Cc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ccccn2)cc1 ZINC000005584130 207107743 /nfs/dbraw/zinc/10/77/43/207107743.db2.gz JSAUBHSWNZUTAJ-HXUWFJFHSA-N -1 3 370.408 4.173 50 30 FIEAHM Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccccn2)cc1 ZINC000005584130 207107747 /nfs/dbraw/zinc/10/77/47/207107747.db2.gz JSAUBHSWNZUTAJ-HXUWFJFHSA-N -1 3 370.408 4.173 50 30 FIEAHM CCOc1cc(/C=C/C(=O)c2ccc(OCC#N)cc2)cc(Cl)c1[O-] ZINC000008321737 207228709 /nfs/dbraw/zinc/22/87/09/207228709.db2.gz LQZJDRLKETYBBC-FPYGCLRLSA-N -1 3 357.793 4.243 50 30 FIEAHM O=c1[n-][nH]c2c1[C@H](c1cccc(Oc3ccccc3)c1)C1=C(CCCC1=O)N2 ZINC000012347359 207362591 /nfs/dbraw/zinc/36/25/91/207362591.db2.gz HDKQVSBDSQVZCD-GOSISDBHSA-N -1 3 373.412 4.472 50 30 FIEAHM O=c1[nH][n-]c2c1[C@H](c1cccc(Oc3ccccc3)c1)C1=C(CCCC1=O)N2 ZINC000012347359 207362597 /nfs/dbraw/zinc/36/25/97/207362597.db2.gz HDKQVSBDSQVZCD-GOSISDBHSA-N -1 3 373.412 4.472 50 30 FIEAHM CCOc1cc(/C=C\C(=O)c2ccc(OCC#N)cc2)cc(Cl)c1[O-] ZINC000096792338 520638103 /nfs/dbraw/zinc/63/81/03/520638103.db2.gz LQZJDRLKETYBBC-BAQGIRSFSA-N -1 3 357.793 4.243 50 30 FIEAHM COc1ccc(-c2nc(C)c(C(=O)[N-]c3nnc(C4CC4)s3)s2)cc1 ZINC000025444817 523193771 /nfs/dbraw/zinc/19/37/71/523193771.db2.gz WBCLFDFNEBZMCS-UHFFFAOYSA-N -1 3 372.475 4.492 50 30 FIEAHM CSC(=Nc1ccc(F)c(Cl)c1)[N-]S(=O)(=O)c1cccs1 ZINC000006131627 525285955 /nfs/dbraw/zinc/28/59/55/525285955.db2.gz IXZICZKRCFVRLZ-UHFFFAOYSA-N -1 3 364.876 4.060 50 30 FIEAHM CSc1ccc([C@H]2[N-]c3nonc3N=C3CC(C)(C)CC(=O)C32)cc1 ZINC000012323166 568163064 /nfs/dbraw/zinc/16/30/64/568163064.db2.gz QMJJAWZNPONXKH-OAHLLOKOSA-N -1 3 356.451 4.013 50 30 FIEAHM COc1ccc(/C=C2\Oc3c(ccc([O-])c3CN3CCCCC3)C2=O)cc1 ZINC000022625641 570454470 /nfs/dbraw/zinc/45/44/70/570454470.db2.gz NDDWOLQPFCUPEY-MOSHPQCFSA-N -1 3 365.429 4.003 50 30 biogenic FIEAHM [O-]/N=C/c1ccc(OC[C@H](O)Cn2c3ccccc3c3ccccc32)cc1 ZINC000000857396 570461194 /nfs/dbraw/zinc/46/11/94/570461194.db2.gz SHMUXVRDOIWDHZ-YXUUZYBBSA-N -1 3 360.413 4.043 50 30 FIEAHM O=C1[N-]/C(=N\c2ccc(Cl)cc2)S[C@@H]1Cc1ccccc1Cl ZINC000013590592 570779992 /nfs/dbraw/zinc/77/99/92/570779992.db2.gz VRUGWFRVJHESGT-CQSZACIVSA-N -1 3 351.258 4.455 50 30 FIEAHM O=C1[N-]/C(=N\c2ccccc2)S[C@@H]1Cc1cccc(C(F)(F)F)c1 ZINC000016771404 571072673 /nfs/dbraw/zinc/07/26/73/571072673.db2.gz DXTMCFZBFJNDOP-CQSZACIVSA-N -1 3 350.365 4.167 50 30 FIEAHM O=S(=O)([N-]c1ccc(C#Cc2ccccc2)cc1)c1ccc(F)cc1 ZINC000001384311 571124013 /nfs/dbraw/zinc/12/40/13/571124013.db2.gz QMZNERGDHQXWCY-UHFFFAOYSA-N -1 3 351.402 4.026 50 30 FIEAHM O=C(Nc1ccccn1)c1ccc(N=Cc2c([O-])cccc2Cl)cc1 ZINC000252629915 571289514 /nfs/dbraw/zinc/28/95/14/571289514.db2.gz UQGJPFOPQXBWLF-UHFFFAOYSA-N -1 3 351.793 4.444 50 30 FIEAHM N#Cc1ccccc1[N-]C(=S)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000000678919 571319090 /nfs/dbraw/zinc/31/90/90/571319090.db2.gz XRYDCTVANCGFPW-UHFFFAOYSA-N -1 3 371.465 4.203 50 30 FIEAHM C[C@@H]1CCCN(Cc2c3c(ccc2[O-])C(=O)/C(=C/c2cccs2)O3)C1 ZINC000020504033 571330163 /nfs/dbraw/zinc/33/01/63/571330163.db2.gz QSIQANCMADLMDY-CCOVPTLTSA-N -1 3 355.459 4.302 50 30 biogenic FIEAHM CC(=O)C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000001061675 219361873 /nfs/dbraw/zinc/36/18/73/219361873.db2.gz UJBDBLZFCSNRHQ-INIZCTEOSA-N -1 3 361.319 4.194 50 30 FIEAHM CC([O-])=C1C(=O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000001061675 219361875 /nfs/dbraw/zinc/36/18/75/219361875.db2.gz UJBDBLZFCSNRHQ-INIZCTEOSA-N -1 3 361.319 4.194 50 30 FIEAHM CCc1c(C)sc([N-]C(=O)c2cc(-c3ccc(OC)cc3)on2)c1C#N ZINC000004880740 207058500 /nfs/dbraw/zinc/05/85/00/207058500.db2.gz NFWFXKGYGYVGGI-UHFFFAOYSA-N -1 3 367.430 4.407 50 30 FIEAHM C=CCSc1ccccc1[N-]C(=O)c1nc(C)n(-c2ccc(F)cc2)n1 ZINC000032808786 519079103 /nfs/dbraw/zinc/07/91/03/519079103.db2.gz WNHWDJNCMAENRH-UHFFFAOYSA-N -1 3 368.437 4.245 50 30 FIEAHM CCOC(=O)[C@@]([O-])(c1ccc(/N=C/c2ccccc2)c(C)c1)C(F)(F)F ZINC000002050597 570512333 /nfs/dbraw/zinc/51/23/33/570512333.db2.gz RJKYDMFXSUINFQ-KCDOPAPYSA-N -1 3 365.351 4.059 50 30 FIEAHM O=c1[nH][n-]c2c1[C@@H](c1ccc(-c3ccccc3)cc1)C1=C(CCCC1=O)N2 ZINC000018195464 570814649 /nfs/dbraw/zinc/81/46/49/570814649.db2.gz BTFZFNGBFCXIPH-SFHVURJKSA-N -1 3 357.413 4.347 50 30 FIEAHM O=C1c2ccc([O-])c(CN3CCCCC3)c2O/C1=C\c1cccc(F)c1 ZINC000002213392 571288477 /nfs/dbraw/zinc/28/84/77/571288477.db2.gz HALKDVHNXKKKGP-UNOMPAQXSA-N -1 3 353.393 4.133 50 30 biogenic FIEAHM O=C1c2ccc([O-])c(CN3CCCC3)c2O/C1=C\c1c(F)cccc1Cl ZINC000002432292 571322274 /nfs/dbraw/zinc/32/22/74/571322274.db2.gz GNCSVWTXVPUYGA-ZDLGFXPLSA-N -1 3 373.811 4.397 50 30 FIEAHM CCOc1ccccc1/C=C1\Oc2c(ccc([O-])c2CN2CCCC2)C1=O ZINC000020624486 571331540 /nfs/dbraw/zinc/33/15/40/571331540.db2.gz MDBRMWNNSHKTDY-MOSHPQCFSA-N -1 3 365.429 4.003 50 30 FIEAHM Cn1cc(/C=C2\Oc3c(ccc([O-])c3CN3CCCC3)C2=O)c2ccccc21 ZINC000028182424 571338295 /nfs/dbraw/zinc/33/82/95/571338295.db2.gz IAQUVVVSBLVTIS-MTJSOVHGSA-N -1 3 374.440 4.096 50 30 FIEAHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1ccc(-n2ccnc2)c(F)c1 ZINC000101276673 1118634718 /nfs/dbraw/zinc/63/47/18/1118634718.db2.gz XFXXHYAYKNFQRA-KAQJVSAMSA-N -1 3 352.340 4.240 50 30 FIEAHM COc1cc(/C=C2/CCc3ccccc3C2=O)cc(Br)c1[O-] ZINC000033377933 1122410169 /nfs/dbraw/zinc/41/01/69/1122410169.db2.gz ZNUXMBNCTGPPFC-JYRVWZFOSA-N -1 3 359.219 4.376 50 30 FIEAHM O=C1[N-]/C(=N/N=C/c2ccccc2)S[C@@H]1Cc1cccc2ccccc21 ZINC000004159519 207005427 /nfs/dbraw/zinc/00/54/27/207005427.db2.gz YDSJYRGHGMNYHW-VZMFNRANSA-N -1 3 359.454 4.004 50 30 FIEAHM CC(=O)c1cccc(NC(=O)c2ccc(Br)c(F)c2)c1[O-] ZINC000328596545 518423935 /nfs/dbraw/zinc/42/39/35/518423935.db2.gz BNEOLOIQIPKPON-UHFFFAOYSA-N -1 3 352.159 4.133 50 30 FIEAHM CCN(CC)c1ccc(C=NN2C(=S)N=NC2C2CCCCC2)c([O-])c1 ZINC000252444377 520889161 /nfs/dbraw/zinc/88/91/61/520889161.db2.gz NKOSLKVHYDGYKN-UHFFFAOYSA-N -1 3 373.526 4.049 50 30 FIEAHM C=CCSc1ccccc1[N-]C(=O)c1nn(-c2ccccc2)nc1C ZINC000023299879 570451340 /nfs/dbraw/zinc/45/13/40/570451340.db2.gz YIWOOQVCZAZCAN-UHFFFAOYSA-N -1 3 350.447 4.106 50 30 FIEAHM O=c1[nH][n-]c2c1[C@H](c1ccc(-c3ccccc3)cc1)C1=C(CCCC1=O)N2 ZINC000018195463 570814693 /nfs/dbraw/zinc/81/46/93/570814693.db2.gz BTFZFNGBFCXIPH-GOSISDBHSA-N -1 3 357.413 4.347 50 30 FIEAHM O=C1C(=O)N(c2ccc(O)cc2)[C@H](c2ccccc2)C1=C([O-])c1ccccc1 ZINC000104138017 570857216 /nfs/dbraw/zinc/85/72/16/570857216.db2.gz PUZNUNAVSUVFIY-YDJIHCHBSA-N -1 3 371.392 4.019 50 30 FIEAHM O=C(C1=C([O-])C(=O)N(c2ccc(O)cc2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000104138017 570857217 /nfs/dbraw/zinc/85/72/17/570857217.db2.gz PUZNUNAVSUVFIY-YDJIHCHBSA-N -1 3 371.392 4.019 50 30 FIEAHM Cc1ccc(C(=O)NC(=S)[N-]c2sc3c(c2C#N)CCCC3)c(C)c1 ZINC000001267220 571045684 /nfs/dbraw/zinc/04/56/84/571045684.db2.gz UNHZAFXDDQNKOD-UHFFFAOYSA-N -1 3 369.515 4.242 50 30 FIEAHM N#Cc1c(Cl)[n-]c(=NNC(=S)Nc2ccccc2)c(Cl)c1Cl ZINC000001418737 571069356 /nfs/dbraw/zinc/06/93/56/571069356.db2.gz CKYVNFUFGLYEEM-UHFFFAOYSA-N -1 3 372.668 4.227 50 30 FIEAHM O=C1C[C@@H](c2cccs2)CC2=Nc3nonc3[N-][C@@H](c3ccccc3)C12 ZINC000012409232 571093507 /nfs/dbraw/zinc/09/35/07/571093507.db2.gz ALRHUGTWLUJUSP-SJCJKPOMSA-N -1 3 364.430 4.111 50 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/nfs/dbraw/zinc/25/34/60/209253460.db2.gz ZXZFNSQISNNHOF-AWEZNQCLSA-N -1 3 363.804 4.158 50 30 FIEAHM O=C1C(=O)N(c2ccccc2)[C@H](c2ccccc2)C1=C([O-])c1ccccc1 ZINC000017952398 220219402 /nfs/dbraw/zinc/21/94/02/220219402.db2.gz BKWNGEHPXNXBFU-HXUWFJFHSA-N -1 3 355.393 4.470 50 30 FIEAHM O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000017952398 220219405 /nfs/dbraw/zinc/21/94/05/220219405.db2.gz BKWNGEHPXNXBFU-HXUWFJFHSA-N -1 3 355.393 4.470 50 30 FIEAHM COc1cc(/C=C2/S/C(=N/c3ccccc3)N(C)C2=O)cc(Cl)c1[O-] ZINC000004664329 207035170 /nfs/dbraw/zinc/03/51/70/207035170.db2.gz OSTATBBUGDXUAS-ZYVCTYRMSA-N -1 3 374.849 4.288 50 30 FIEAHM [O-]c1ccc2ccccc2c1/C=N/N1CCN(c2ccc(Cl)cc2)CC1 ZINC000002702459 132383965 /nfs/dbraw/zinc/38/39/65/132383965.db2.gz XUVSRRSGIKTMNX-HZHRSRAPSA-N -1 3 365.864 4.355 50 30 FIEAHM [O-]c1ccccc1/C=N/N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019771357 263376289 /nfs/dbraw/zinc/37/62/89/263376289.db2.gz HGXMFCWXOYAMJZ-NCELDCMTSA-N -1 3 371.484 4.133 50 30 FIEAHM 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CCN(CC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1c[nH]c3ccccc13)O2 ZINC000020648838 571331620 /nfs/dbraw/zinc/33/16/20/571331620.db2.gz RAYSKXVOBNJPLJ-JAIQZWGSSA-N -1 3 362.429 4.332 50 30 FIEAHM C=CCN1CCc2c(Br)c([O-])c(O)cc2[C@@H](c2ccccc2)C1 ZINC000002530683 209340353 /nfs/dbraw/zinc/34/03/53/209340353.db2.gz KKZGFVAZUKHFAC-MRXNPFEDSA-N -1 3 374.278 4.036 50 30 FIEAHM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccccc2)cc1 ZINC000102588463 209237794 /nfs/dbraw/zinc/23/77/94/209237794.db2.gz JRBGVRLMAKPLHC-NHFXJNLRSA-N -1 3 370.408 4.016 50 30 FIEAHM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccccc2)cc1 ZINC000102588463 209237798 /nfs/dbraw/zinc/23/77/98/209237798.db2.gz JRBGVRLMAKPLHC-NHFXJNLRSA-N -1 3 370.408 4.016 50 30 FIEAHM COc1cc(/C=C2/S/C(=N/c3ccc(C)cc3)NC2=O)cc(Cl)c1[O-] ZINC000004658819 207035433 /nfs/dbraw/zinc/03/54/33/207035433.db2.gz VJARRKZORKXJJM-OQLLNIDSSA-N -1 3 374.849 4.254 50 30 FIEAHM O=c1[nH]c2c(-c3ccccc3)c([O-])cn2c2scc(C3CCCCC3)c21 ZINC000006589171 207148275 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[O-]c1ccccc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1Cl ZINC000239235291 526372888 /nfs/dbraw/zinc/37/28/88/526372888.db2.gz VSPLZTPGJAKDAX-UHFFFAOYSA-N -1 3 365.245 4.128 50 30 FIEAHM C[C@@H]1CCc2sc([N-]C(=O)c3ccc(Br)o3)c(C#N)c2C1 ZINC000000758768 568152411 /nfs/dbraw/zinc/15/24/11/568152411.db2.gz OWQFUCMFTFGVKR-MRVPVSSYSA-N -1 3 365.252 4.352 50 30 FIEAHM CN1C2=C(C(=O)CCC2)C(c2cc(Cl)ccc2[O-])C2=C1CCCC2=O ZINC000000792196 568236705 /nfs/dbraw/zinc/23/67/05/568236705.db2.gz JUYDAWWLTCLFRP-UHFFFAOYSA-N -1 3 357.837 4.089 50 30 FIEAHM [O-]N=Cc1ccc(OC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1 ZINC000252628069 570624600 /nfs/dbraw/zinc/62/46/00/570624600.db2.gz SHMUXVRDOIWDHZ-KRWDZBQOSA-N -1 3 360.413 4.043 50 30 FIEAHM COc1cc(Br)cc(/C=C2\Sc3ccccc3C2=O)c1[O-] ZINC000013550393 570779149 /nfs/dbraw/zinc/77/91/49/570779149.db2.gz UJLISSSMMVULER-AUWJEWJLSA-N -1 3 363.232 4.493 50 30 FIEAHM CCOc1cc(/C=N/[O-])cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000016688531 570860543 /nfs/dbraw/zinc/86/05/43/570860543.db2.gz HVMBOGBSRQAJOO-GIJQJNRQSA-N -1 3 350.758 4.034 50 30 FIEAHM COc1ccc(/N=C/c2cc(C)cc(I)c2[O-])cc1 ZINC000001433557 571077096 /nfs/dbraw/zinc/07/70/96/571077096.db2.gz LQCKWZVYJYHRRN-RQZCQDPDSA-N -1 3 367.186 4.064 50 30 FIEAHM CCCCCCCc1c([O-])nc(SCC[NH+](CCC)CCC)[n-]c1=O ZINC000097951695 571153183 /nfs/dbraw/zinc/15/31/83/571153183.db2.gz SURBLSXGSQTUAP-UHFFFAOYSA-N -1 3 369.575 4.203 50 30 FIEAHM COc1cc(/C=C2/SC(=Nc3ccccc3)N(C)C2=O)cc(Cl)c1[O-] ZINC000252623486 571288462 /nfs/dbraw/zinc/28/84/62/571288462.db2.gz OSTATBBUGDXUAS-ADRPSFFTSA-N -1 3 374.849 4.288 50 30 FIEAHM CC(=N[O-])[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=NO)CC[C@@]4(C)[C@@H]3CC[C@@]21C ZINC000253531414 571318759 /nfs/dbraw/zinc/31/87/59/571318759.db2.gz KSSPDEQUJJVMTE-LDIYZUBKSA-N -1 3 360.498 4.361 50 30 FIEAHM COc1cc(-c2cc(-c3ccc4[nH]ccc4c3)c(C#N)c(N)n2)ccc1[O-] ZINC000067818506 571321832 /nfs/dbraw/zinc/32/18/32/571321832.db2.gz YFKNSZXAJQYZER-UHFFFAOYSA-N -1 3 356.385 4.065 50 30 FIEAHM N#Cc1c(N)nc(-c2ccc(C(F)(F)F)cc2)cc1-c1ccc([O-])c(O)c1 ZINC000067895931 571321914 /nfs/dbraw/zinc/32/19/14/571321914.db2.gz CILXXGOXYPHXLC-UHFFFAOYSA-N -1 3 371.318 4.299 50 30 FIEAHM C[C@H]1CCCCN1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccs1)O2 ZINC000020503986 571330192 /nfs/dbraw/zinc/33/01/92/571330192.db2.gz VAGQRUHSUPTKRQ-FHNWIRHTSA-N -1 3 355.459 4.444 50 30 biogenic FIEAHM CCCOC(=O)c1ccc(N=Cc2cc(Br)ccc2[O-])cc1 ZINC000252462070 1087357456 /nfs/dbraw/zinc/35/74/56/1087357456.db2.gz PNEOCDJCBMWXOM-UHFFFAOYSA-N -1 3 362.223 4.472 50 30 FIEAHM FC(F)Oc1ccc(C=N[N-]c2nc3ccccc3o2)c(OC(F)F)c1 ZINC000254508864 1114154347 /nfs/dbraw/zinc/15/43/47/1114154347.db2.gz ZKKCWMVUMUIPCN-UHFFFAOYSA-N -1 3 369.274 4.477 50 30 FIEAHM COc1cc(/C=C2\CSc3ccc(Cl)cc3C2=O)cc(OC)c1[O-] ZINC000013006573 220051410 /nfs/dbraw/zinc/05/14/10/220051410.db2.gz LHKIZUNGDPXQHL-VZUCSPMQSA-N -1 3 362.834 4.435 50 30 FIEAHM N#Cc1c([N-]C(=O)c2cc(-c3ccccc3O)on2)sc2c1CCCC2 ZINC000004881219 207058299 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Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccc3)[C@@H]2c2cccnc2)cc1 ZINC000008715712 207243137 /nfs/dbraw/zinc/24/31/37/207243137.db2.gz WWMATYMRTUDVMU-HXUWFJFHSA-N -1 3 370.408 4.173 50 30 FIEAHM Cn1c(Cl)c(Cl)cc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000040089624 208225350 /nfs/dbraw/zinc/22/53/50/208225350.db2.gz HAODNMOUVJCQJM-MRVPVSSYSA-N -1 3 362.138 4.236 50 30 FIEAHM CCOc1cc2c(cc1/C=C\C(=O)c1ccc([O-])c(OC)c1)O[C@H](C)C2 ZINC000096792674 520790255 /nfs/dbraw/zinc/79/02/55/520790255.db2.gz RIACNAUNHXXMQG-FMFIFOJESA-N -1 3 354.402 4.019 50 30 FIEAHM O=C1C(=O)N(c2ccc(O)cc2)[C@@H](c2ccccc2)C1=C([O-])c1ccccc1 ZINC000104138021 570857067 /nfs/dbraw/zinc/85/70/67/570857067.db2.gz PUZNUNAVSUVFIY-NHFXJNLRSA-N -1 3 371.392 4.019 50 30 FIEAHM O=C(C1=C([O-])C(=O)N(c2ccc(O)cc2)[C@H]1c1ccccc1)c1ccccc1 ZINC000104138021 570857069 /nfs/dbraw/zinc/85/70/69/570857069.db2.gz PUZNUNAVSUVFIY-NHFXJNLRSA-N -1 3 371.392 4.019 50 30 FIEAHM O=C1C(=O)N(c2ccccc2)[C@@H](c2ccccc2)C1=C([O-])c1ccccc1 ZINC000017779434 570873819 /nfs/dbraw/zinc/87/38/19/570873819.db2.gz BKWNGEHPXNXBFU-FQEVSTJZSA-N -1 3 355.393 4.470 50 30 FIEAHM O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@H]1c1ccccc1)c1ccccc1 ZINC000017779434 570873822 /nfs/dbraw/zinc/87/38/22/570873822.db2.gz BKWNGEHPXNXBFU-FQEVSTJZSA-N -1 3 355.393 4.470 50 30 FIEAHM Cc1ccc(CN2CCN(/N=C/c3c([O-])ccc4ccccc43)CC2)cc1 ZINC000019833187 570904500 /nfs/dbraw/zinc/90/45/00/570904500.db2.gz NUQJUDXIJOFSQB-LFVJCYFKSA-N -1 3 359.473 4.006 50 30 FIEAHM N#Cc1ccccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1Cl ZINC000000953489 571140582 /nfs/dbraw/zinc/14/05/82/571140582.db2.gz IZJIFNPVTVBEEM-UHFFFAOYSA-N -1 3 360.744 4.031 50 30 FIEAHM N#CCOC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccc([O-])cc1)CC2 ZINC000006229861 571167486 /nfs/dbraw/zinc/16/74/86/571167486.db2.gz JUSQSFYDQMUXIF-FYWRMAATSA-N -1 3 356.381 4.108 50 30 FIEAHM COc1cc(OC)c(/C=N/c2ccc(C)cc2[O-])cc1Br ZINC000001233779 571210400 /nfs/dbraw/zinc/21/04/00/571210400.db2.gz DILIHUCVFIAPAD-GIJQJNRQSA-N -1 3 350.212 4.231 50 30 FIEAHM COc1ccc(N=C2S/C(=C\c3cc(Cl)ccc3[O-])C(=O)N2C)cc1 ZINC000252636951 571291494 /nfs/dbraw/zinc/29/14/94/571291494.db2.gz XOFNEIDZUISPHY-UDIJICLVSA-N -1 3 374.849 4.288 50 30 FIEAHM Cc1ccc(/C=C2\Oc3c(ccc([O-])c3CN3CCC(C)CC3)C2=O)o1 ZINC000002442934 571322366 /nfs/dbraw/zinc/32/23/66/571322366.db2.gz MSMOINWHXLIQEN-ODLFYWEKSA-N -1 3 353.418 4.142 50 30 biogenic FIEAHM CCOc1cc(C/N=C/c2cc(Br)ccc2[O-])ccc1OC ZINC000057412009 571343246 /nfs/dbraw/zinc/34/32/46/571343246.db2.gz VFKZSGRWLURELC-YBFXNURJSA-N -1 3 364.239 4.181 50 30 FIEAHM C=CCN(Cc1cccs1)Cc1cc(=O)oc2cc([O-])c(CC)cc12 ZINC000057763542 571345237 /nfs/dbraw/zinc/34/52/37/571345237.db2.gz NNQZTHIEPDPTFW-UHFFFAOYSA-N -1 3 355.459 4.311 50 30 FIEAHM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccccc2)cc1 ZINC000009012491 210247200 /nfs/dbraw/zinc/24/72/00/210247200.db2.gz LHVQAUUYSKOHFW-FQEVSTJZSA-N -1 3 370.408 4.173 50 30 FIEAHM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccccc2)cc1 ZINC000009012491 210247204 /nfs/dbraw/zinc/24/72/04/210247204.db2.gz LHVQAUUYSKOHFW-FQEVSTJZSA-N -1 3 370.408 4.173 50 30 FIEAHM C[C@H]1CCCN(Cc2c3c(ccc2[O-])C(=O)/C(=C/c2cccs2)O3)C1 ZINC000020504034 210237483 /nfs/dbraw/zinc/23/74/83/210237483.db2.gz QSIQANCMADLMDY-VQIMKDEXSA-N -1 3 355.459 4.302 50 30 biogenic FIEAHM COc1ccccc1/C=C1\Oc2c(ccc([O-])c2CN2CCCCC2)C1=O ZINC000022625622 210236323 /nfs/dbraw/zinc/23/63/23/210236323.db2.gz QCKMCZKYWKTMLS-MOSHPQCFSA-N -1 3 365.429 4.003 50 30 biogenic FIEAHM Cn1cc(/C=C2/Oc3c(ccc([O-])c3CN3CCCC3)C2=O)c2ccccc21 ZINC000020647625 211290792 /nfs/dbraw/zinc/29/07/92/211290792.db2.gz IAQUVVVSBLVTIS-CIAFOILYSA-N -1 3 374.440 4.096 50 30 FIEAHM O=C1[N-]/C(=N\c2ccccc2)S[C@H]1Cc1cc(Cl)ccc1Cl ZINC000017178111 211180944 /nfs/dbraw/zinc/18/09/44/211180944.db2.gz BKXWPKWWNAIQQW-AWEZNQCLSA-N -1 3 351.258 4.455 50 30 FIEAHM O=C1[N-]/C(=N/c2ccc(Cl)cc2)S[C@@H]1Cc1ccc(Cl)cc1 ZINC000013476751 211035235 /nfs/dbraw/zinc/03/52/35/211035235.db2.gz GGHAKSUARLJHQT-CQSZACIVSA-N -1 3 351.258 4.455 50 30 FIEAHM COc1cc(C(=O)/C=C/c2cc(Br)ccc2F)ccc1[O-] ZINC000013137340 211026301 /nfs/dbraw/zinc/02/63/01/211026301.db2.gz DNPMOOFURXCQMC-QHHAFSJGSA-N -1 3 351.171 4.199 50 30 FIEAHM N#Cc1c([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CCCC2 ZINC000001058469 210311186 /nfs/dbraw/zinc/31/11/86/210311186.db2.gz UMVJMXADMKMBDS-UHFFFAOYSA-N -1 3 361.810 4.312 50 30 FIEAHM Cc1nnc([N-]C(=O)c2sc(COc3ccc(C)c(C)c3)nc2C)s1 ZINC000021789226 263385533 /nfs/dbraw/zinc/38/55/33/263385533.db2.gz IZWCSNIRJXCYDQ-UHFFFAOYSA-N -1 3 374.491 4.444 50 30 FIEAHM C/N=C(\SC)N(CC/C(=N\[O-])c1ccccc1)c1ccc(OC)cc1 ZINC000096027852 518570906 /nfs/dbraw/zinc/57/09/06/518570906.db2.gz MFTSZDVQISRSSI-UCUGKLSDSA-N -1 3 357.479 4.119 50 30 FIEAHM CCOc1cc(/C=C\C(=O)c2cc(OC)ccc2OC)cc(Cl)c1[O-] ZINC000033476420 520638086 /nfs/dbraw/zinc/63/80/86/520638086.db2.gz DWSIWWRDPMGIRY-ALCCZGGFSA-N -1 3 362.809 4.358 50 30 FIEAHM O=C(/C=C/c1ccccc1Cl)c1cc(Br)ccc(=O)c1[O-] ZINC000004667463 570600260 /nfs/dbraw/zinc/60/02/60/570600260.db2.gz GJEPBLKHWKUJOI-FNORWQNLSA-N -1 3 365.610 4.064 50 30 FIEAHM Cc1ccc([C@@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)CCC3)cc1 ZINC000004702779 570601721 /nfs/dbraw/zinc/60/17/21/570601721.db2.gz ACVWXQDLQGXWRF-IBGZPJMESA-N -1 3 371.440 4.451 50 30 FIEAHM C=CCc1cccc(CN=Nc2ncnc3sc4c(c32)CCCC4)c1[O-] ZINC000004737888 570603934 /nfs/dbraw/zinc/60/39/34/570603934.db2.gz QUTHWDDCBINJBV-FOKLQQMPSA-N -1 3 364.474 4.450 50 30 FIEAHM COc1cc(Cl)c(Cl)c(C=NNc2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000005177087 570628892 /nfs/dbraw/zinc/62/88/92/570628892.db2.gz SWLRKKHTOCLJSY-REZTVBANSA-N -1 3 356.165 4.062 50 30 FIEAHM O=C1C[C@@H](c2ccccc2)CC2=Nc3nonc3[N-][C@@H](c3cccs3)C12 ZINC000040267178 571092147 /nfs/dbraw/zinc/09/21/47/571092147.db2.gz GBXYZFBNVDHXJQ-SJCJKPOMSA-N -1 3 364.430 4.111 50 30 FIEAHM O=C(/C(=C/c1ccc([O-])cc1)c1nc2ccccc2[nH]c1=O)c1ccccc1 ZINC000007135164 571262071 /nfs/dbraw/zinc/26/20/71/571262071.db2.gz IQUWPYXNOUJIPV-NBVRZTHBSA-N -1 3 368.392 4.052 50 30 FIEAHM CCOc1ccc(/N=C/c2cc(Br)cc(OC)c2[O-])cc1 ZINC000002751362 571340761 /nfs/dbraw/zinc/34/07/61/571340761.db2.gz QWRUUDXHMJYLTH-VCHYOVAHSA-N -1 3 350.212 4.313 50 30 FIEAHM O=C1c2ccc([O-])c(CN3CCCC3)c2O/C1=C\c1cccc(Cl)c1 ZINC000002214745 210227607 /nfs/dbraw/zinc/22/76/07/210227607.db2.gz JZGNNSIRCJPPAF-WQRHYEAKSA-N -1 3 355.821 4.258 50 30 FIEAHM C=CCOc1ccc(/C=C2/SC(=O)N(c3ccc([O-])cc3)C2=O)cc1 ZINC000002211203 210151545 /nfs/dbraw/zinc/15/15/45/210151545.db2.gz YIGMFJQSZMQZCJ-SFQUDFHCSA-N -1 3 353.399 4.198 50 30 FIEAHM O=C1[N-]/C(=N\c2ccccc2)S[C@H]1Cc1cccc(C(F)(F)F)c1 ZINC000016771403 211168121 /nfs/dbraw/zinc/16/81/21/211168121.db2.gz DXTMCFZBFJNDOP-AWEZNQCLSA-N -1 3 350.365 4.167 50 30 FIEAHM CCC(C)(C)[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cnccn3)sc2C1 ZINC000001054377 210310468 /nfs/dbraw/zinc/31/04/68/210310468.db2.gz DEZBTIWWXQKRMN-GFCCVEGCSA-N -1 3 354.479 4.203 50 30 FIEAHM O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1cccs1 ZINC000100913875 222256828 /nfs/dbraw/zinc/25/68/28/222256828.db2.gz CPXGTOBNXDXQQG-QGZVFWFLSA-N -1 3 363.442 4.204 50 30 FIEAHM CC(=O)/C(=N\[N-]c1ccccc1[N+](=O)[O-])Sc1cccc2cccnc21 ZINC000004492378 519353336 /nfs/dbraw/zinc/35/33/36/519353336.db2.gz CKOLSBFVXGCSKI-DYTRJAOYSA-N -1 3 366.402 4.250 50 30 FIEAHM O=C1C(=O)N(c2ccccn2)[C@H](c2ccccc2F)C1=C([O-])c1ccccc1 ZINC000004312042 570584422 /nfs/dbraw/zinc/58/44/22/570584422.db2.gz DKBXFDQZINNKNM-LJQANCHMSA-N -1 3 374.371 4.004 50 30 FIEAHM COc1cc(C=NNc2ccc(Br)cc2)cc(Cl)c1[O-] ZINC000030735410 571049124 /nfs/dbraw/zinc/04/91/24/571049124.db2.gz QAJABSPPXZZMHJ-IUXPMGMMSA-N -1 3 355.619 4.263 50 30 FIEAHM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(C)cc2)no1 ZINC000005883719 571167604 /nfs/dbraw/zinc/16/76/04/571167604.db2.gz AJFHTSIKSWURBR-LJQANCHMSA-N -1 3 374.396 4.074 50 30 FIEAHM COc1cc(/C=C2\Sc3ccccc3C2=O)cc(Br)c1[O-] ZINC000027527779 571311545 /nfs/dbraw/zinc/31/15/45/571311545.db2.gz TYKPRMJYWXJWMX-ZSOIEALJSA-N -1 3 363.232 4.493 50 30 FIEAHM CCOc1cc(C=C2C(=O)c3ccccc3C2=O)c(Br)cc1[O-] ZINC000000672736 210260719 /nfs/dbraw/zinc/26/07/19/210260719.db2.gz YZGAYJFENQFBOB-UHFFFAOYSA-N -1 3 373.202 4.016 50 30 FIEAHM CCOc1ccccc1/C=C1\Oc2c(ccc([O-])c2CN(CC)CC)C1=O ZINC000013653798 210234335 /nfs/dbraw/zinc/23/43/35/210234335.db2.gz VWUYZAWZBWFQJN-MOSHPQCFSA-N -1 3 367.445 4.249 50 30 FIEAHM CCOc1cc(/C=N/[O-])cc(Br)c1OCc1ccccc1F ZINC000016688706 211165948 /nfs/dbraw/zinc/16/59/48/211165948.db2.gz JDWRKXJQUHPWNI-DJKKODMXSA-N -1 3 368.202 4.374 50 30 FIEAHM Cc1ccc(O)c(/N=C/c2cc(C)cc(I)c2[O-])c1 ZINC000001433535 210353587 /nfs/dbraw/zinc/35/35/87/210353587.db2.gz HJRGIGSOWOPHID-CAOOACKPSA-N -1 3 367.186 4.070 50 30 FIEAHM N#Cc1c([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1CCCC2 ZINC000001056769 210310306 /nfs/dbraw/zinc/31/03/06/210310306.db2.gz OZSFHFDAGGAYSQ-UHFFFAOYSA-N -1 3 361.810 4.312 50 30 FIEAHM Cc1sc2nc(C)n(/N=C/c3c([O-])ccc4ccccc43)c(=O)c2c1C ZINC000000973325 210297539 /nfs/dbraw/zinc/29/75/39/210297539.db2.gz YLPJSHISPBWKID-UFFVCSGVSA-N -1 3 363.442 4.124 50 30 FIEAHM N#Cc1c(N)nc(-c2ccc([O-])cc2)cc1-c1cccc(OC(F)F)c1 ZINC000067490948 221257396 /nfs/dbraw/zinc/25/73/96/221257396.db2.gz RUPHPBWBKXKQLI-UHFFFAOYSA-N -1 3 353.328 4.176 50 30 FIEAHM O=C1C(=O)N(c2ccc(F)cc2)[C@H](c2ccccc2)C1=C([O-])c1ccccc1 ZINC000102925525 222313225 /nfs/dbraw/zinc/31/32/25/222313225.db2.gz WAZBIZRDEGJKCF-YDJIHCHBSA-N -1 3 373.383 4.452 50 30 FIEAHM CCCCN(C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccc(OC)c1)O2 ZINC000020517439 520416584 /nfs/dbraw/zinc/41/65/84/520416584.db2.gz BYOVCIYOAXQTQP-MOSHPQCFSA-N -1 3 367.445 4.249 50 30 FIEAHM CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc(Cl)c1[O-] ZINC000007745462 520619843 /nfs/dbraw/zinc/61/98/43/520619843.db2.gz SHRDZEZAXQASNS-HWKANZROSA-N -1 3 360.793 4.112 50 30 FIEAHM COc1ccc2cc(C(=O)/C=C/c3cc(OC)c([O-])c(OC)c3)ccc2c1 ZINC000006047415 525620430 /nfs/dbraw/zinc/62/04/30/525620430.db2.gz AXLVYPMVPAEWCV-RUDMXATFSA-N -1 3 364.397 4.467 50 30 FIEAHM [O-]c1ccccc1C=NN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000238997306 526370749 /nfs/dbraw/zinc/37/07/49/526370749.db2.gz ADUBFULRLIEADB-UHFFFAOYSA-N -1 3 369.468 4.114 50 30 FIEAHM CCOC(=O)c1sc([N-]C(=O)c2ccc(Cl)s2)c(C#N)c1C ZINC000005145261 570590725 /nfs/dbraw/zinc/59/07/25/570590725.db2.gz WIIIIRLQNMGMJC-UHFFFAOYSA-N -1 3 354.840 4.072 50 30 FIEAHM [O-]c1ccccc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1Cl ZINC000005649741 570632560 /nfs/dbraw/zinc/63/25/60/570632560.db2.gz VSPLZTPGJAKDAX-QGMBQPNBSA-N -1 3 365.245 4.128 50 30 FIEAHM Cc1ccc(/C=C2\Oc3c(ccc([O-])c3CN3CCCC[C@@H]3C)C2=O)o1 ZINC000005443284 570656451 /nfs/dbraw/zinc/65/64/51/570656451.db2.gz BCANTTZSWSQVNF-JFENUBAZSA-N -1 3 353.418 4.284 50 30 biogenic FIEAHM O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1cccs1 ZINC000012348012 570738665 /nfs/dbraw/zinc/73/86/65/570738665.db2.gz CPXGTOBNXDXQQG-KRWDZBQOSA-N -1 3 363.442 4.204 50 30 FIEAHM CN1CCc2c(sc(/N=C\c3ccccc3[O-])c2C(=O)OC(C)(C)C)C1 ZINC000004473675 570794741 /nfs/dbraw/zinc/79/47/41/570794741.db2.gz HUKRNPGDPUBKPZ-NHDPSOOVSA-N -1 3 372.490 4.148 50 30 FIEAHM Cc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c(C)n1-c1cccc(F)c1 ZINC000049406731 570962540 /nfs/dbraw/zinc/96/25/40/570962540.db2.gz MQNPMPKAXIMCPD-LJQANCHMSA-N -1 3 362.408 4.130 50 30 FIEAHM Cc1sc2nc(C)n(N=Cc3c([O-])ccc4ccccc43)c(=O)c2c1C ZINC000252639547 571291674 /nfs/dbraw/zinc/29/16/74/571291674.db2.gz YLPJSHISPBWKID-UHFFFAOYSA-N -1 3 363.442 4.124 50 30 FIEAHM O=C1C(=O)N(c2cccnc2)[C@@H](c2ccc(F)cc2)C1=C([O-])c1ccccc1 ZINC000009089490 210250250 /nfs/dbraw/zinc/25/02/50/210250250.db2.gz MFCQEJZXBBIFNH-IBGZPJMESA-N -1 3 374.371 4.004 50 30 FIEAHM Cc1ccc(/C=C2\Oc3c(ccc([O-])c3CN3CCC[C@H](C)C3)C2=O)o1 ZINC000005338792 210229099 /nfs/dbraw/zinc/22/90/99/210229099.db2.gz XDIFVRQXTINFOC-GJUHEBOISA-N -1 3 353.418 4.142 50 30 biogenic FIEAHM CCc1ccc(/N=C2\NC(=O)/C(=C/c3cc(Cl)ccc3[O-])S2)cc1 ZINC000018254945 211197778 /nfs/dbraw/zinc/19/77/78/211197778.db2.gz DVFYUKYAOZHPCN-YBEGLDIGSA-N -1 3 358.850 4.500 50 30 FIEAHM CC(C)c1ccc([C@@H]2c3c(=O)[nH][n-]c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000012347580 210945884 /nfs/dbraw/zinc/94/58/84/210945884.db2.gz WEDOSOKPIVSJKO-INIZCTEOSA-N -1 3 351.450 4.439 50 30 FIEAHM COc1cc(/C=C\C(=O)c2ccccc2F)cc(Br)c1[O-] ZINC000096766536 222128568 /nfs/dbraw/zinc/12/85/68/222128568.db2.gz VXZCMYNLBZKFDS-SREVYHEPSA-N -1 3 351.171 4.199 50 30 FIEAHM O=C(/C=C\c1ccccc1Cl)c1cc(Br)ccc(=O)c1[O-] ZINC000097474824 222183036 /nfs/dbraw/zinc/18/30/36/222183036.db2.gz GJEPBLKHWKUJOI-ALCCZGGFSA-N -1 3 365.610 4.064 50 30 FIEAHM Cc1cccc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)c1[N+](=O)[O-] ZINC000103504623 222338153 /nfs/dbraw/zinc/33/81/53/222338153.db2.gz XGHNSZKKJOHMDE-QGZVFWFLSA-N -1 3 373.368 4.018 50 30 FIEAHM O=C1C(=O)N(c2ccccc2)[C@@H](c2ccccc2F)C1=C([O-])c1ccccc1 ZINC000104124496 222350029 /nfs/dbraw/zinc/35/00/29/222350029.db2.gz SEERVJRHIZOEMS-NHFXJNLRSA-N -1 3 373.383 4.452 50 30 FIEAHM Cn1c(C(C#N)=C([O-])C=Cc2cccc(C(F)(F)F)c2)nc2ccccc21 ZINC000033562638 263396600 /nfs/dbraw/zinc/39/66/00/263396600.db2.gz QPNBWJGTQQRSQE-FJVVXJACSA-N -1 3 369.346 4.482 50 30 FIEAHM CCOc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc(Cl)c1[O-] ZINC000013072007 520618236 /nfs/dbraw/zinc/61/82/36/520618236.db2.gz YBGRLEUHIIGGBC-FNORWQNLSA-N -1 3 362.809 4.358 50 30 FIEAHM COc1cc(C(=O)/C=C/c2c(C)nn(-c3ccccc3)c2Cl)ccc1[O-] ZINC000008322740 522049889 /nfs/dbraw/zinc/04/98/89/522049889.db2.gz MSTSMYKFPSDUAA-PKNBQFBNSA-N -1 3 368.820 4.444 50 30 FIEAHM COc1ccc2cc(C(=O)/C=C\c3cc(OC)c([O-])c(OC)c3)ccc2c1 ZINC000033887599 525621575 /nfs/dbraw/zinc/62/15/75/525621575.db2.gz AXLVYPMVPAEWCV-WTKPLQERSA-N -1 3 364.397 4.467 50 30 FIEAHM CCOc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N/c1ccc([O-])cc1 ZINC000012406282 570742644 /nfs/dbraw/zinc/74/26/44/570742644.db2.gz CUJPQNPENLMKJE-FCDQGJHFSA-N -1 3 362.429 4.454 50 30 FIEAHM COc1ccc(-c2csc([N-]C(=O)c3ccco3)c2C#N)cc1OC ZINC000004777385 571233718 /nfs/dbraw/zinc/23/37/18/571233718.db2.gz QGTLWDGQORRPTF-UHFFFAOYSA-N -1 3 354.387 4.149 50 30 FIEAHM CCc1c(C)sc([N-]C(=O)c2cc(-c3ccc(O)cc3)on2)c1C#N ZINC000003907805 571353082 /nfs/dbraw/zinc/35/30/82/571353082.db2.gz VNZYJCFZEDJXBR-UHFFFAOYSA-N -1 3 353.403 4.104 50 30 FIEAHM CCCCCCCCCCS(=O)(=O)[N-]/N=C/c1ccccc1OC ZINC000008829974 520023340 /nfs/dbraw/zinc/02/33/40/520023340.db2.gz KSSFVKVJELQTPK-KNTRCKAVSA-N -1 3 354.516 4.089 50 30 FIEAHM CCOc1cc2c(cc1/C=C\C(=O)c1ccc([O-])c(OC)c1)O[C@@H](C)C2 ZINC000096792675 520789913 /nfs/dbraw/zinc/78/99/13/520789913.db2.gz RIACNAUNHXXMQG-FWWRYZNZSA-N -1 3 354.402 4.019 50 30 FIEAHM Cc1ccc(CN2CCN(N=Cc3c([O-])ccc4ccccc43)CC2)c(C)c1 ZINC000244716272 524462305 /nfs/dbraw/zinc/46/23/05/524462305.db2.gz LMAVKNXALJLVTD-UHFFFAOYSA-N -1 3 373.500 4.314 50 30 FIEAHM CC(C)(C)c1csc(N=NCc2cc(Br)ccc2[O-])n1 ZINC000004592858 570597197 /nfs/dbraw/zinc/59/71/97/570597197.db2.gz GVVPLLIYMIICRY-FRKPEAEDSA-N -1 3 354.273 4.355 50 30 FIEAHM O=C(Nc1ccccc1/C(=N/[O-])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000004696931 570601419 /nfs/dbraw/zinc/60/14/19/570601419.db2.gz 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571288900 /nfs/dbraw/zinc/28/89/00/571288900.db2.gz QFUNGQULJZNSTL-UHFFFAOYSA-N -1 3 360.417 4.350 50 30 FIEAHM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccccc2)cc1 ZINC000009012492 210247499 /nfs/dbraw/zinc/24/74/99/210247499.db2.gz LHVQAUUYSKOHFW-HXUWFJFHSA-N -1 3 370.408 4.173 50 30 FIEAHM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccccc2)cc1 ZINC000009012492 210247502 /nfs/dbraw/zinc/24/75/02/210247502.db2.gz LHVQAUUYSKOHFW-HXUWFJFHSA-N -1 3 370.408 4.173 50 30 FIEAHM Cc1ccsc1/C=C1\Oc2c(ccc([O-])c2CN2CCCCC2)C1=O ZINC000013540778 210233474 /nfs/dbraw/zinc/23/34/74/210233474.db2.gz IVCHWPHFQIGZAX-BOPFTXTBSA-N -1 3 355.459 4.364 50 30 FIEAHM CCc1ccc(/C=C2\Oc3c(ccc([O-])c3CN(CC)CC)C2=O)cc1 ZINC000008990603 210230557 /nfs/dbraw/zinc/23/05/57/210230557.db2.gz VQCZWRWJGKXEIE-MOSHPQCFSA-N -1 3 351.446 4.413 50 30 FIEAHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3ccc(Br)o3)sc2C1 ZINC000000995700 219350746 /nfs/dbraw/zinc/35/07/46/219350746.db2.gz MFDNYBUYJWOWAZ-MRVPVSSYSA-N -1 3 365.252 4.352 50 30 FIEAHM O=C([N-]c1nnc(-c2ccncc2)s1)c1cc(Br)cs1 ZINC000020534625 211284582 /nfs/dbraw/zinc/28/45/82/211284582.db2.gz AZBPFKVBKVOCSO-UHFFFAOYSA-N -1 3 367.253 4.060 50 30 FIEAHM Cc1c(C#N)c([N-]C(=O)c2ccc(Cl)s2)sc1C(=O)OC(C)C ZINC000001021607 210303226 /nfs/dbraw/zinc/30/32/26/210303226.db2.gz RVOFQDZBRDGFRY-UHFFFAOYSA-N -1 3 368.867 4.461 50 30 FIEAHM COc1cc(/C=C\C(=O)c2ccc(Br)cc2)cc(OC)c1[O-] ZINC000096766166 222129012 /nfs/dbraw/zinc/12/90/12/222129012.db2.gz RAYXXYBSPCTMLJ-BAQGIRSFSA-N -1 3 363.207 4.068 50 30 FIEAHM COc1cc(/C=N/[O-])cc(Br)c1OCc1cccc(Cl)c1 ZINC000100537661 222246871 /nfs/dbraw/zinc/24/68/71/222246871.db2.gz YNYSTURMCZSFIZ-QGMBQPNBSA-N -1 3 370.630 4.498 50 30 FIEAHM C/C(=N\N1C(=O)c2ccccc2N[C@H]1c1ccccc1)c1ccccc1[O-] ZINC000101358562 222271391 /nfs/dbraw/zinc/27/13/91/222271391.db2.gz TXEVLGXTEJXXDR-MNQDVBFDSA-N -1 3 357.413 4.383 50 30 FIEAHM CCCOc1ccc(/C=N/N=C/c2ccc(OCCC)cc2O)c([O-])c1 ZINC000001950640 520320381 /nfs/dbraw/zinc/32/03/81/520320381.db2.gz NDDWBLGYFKQFEO-JFMUQQRKSA-N -1 3 356.422 4.128 50 30 FIEAHM Cc1ccc([C@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)CCC3)cc1 ZINC000006064973 570640566 /nfs/dbraw/zinc/64/05/66/570640566.db2.gz ACVWXQDLQGXWRF-LJQANCHMSA-N -1 3 371.440 4.451 50 30 FIEAHM Cc1cccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccccc2)n1 ZINC000008743789 570687157 /nfs/dbraw/zinc/68/71/57/570687157.db2.gz LINVUFLTQHGQJC-FQEVSTJZSA-N -1 3 370.408 4.173 50 30 FIEAHM Cc1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)n1 ZINC000008743789 570687158 /nfs/dbraw/zinc/68/71/58/570687158.db2.gz LINVUFLTQHGQJC-FQEVSTJZSA-N -1 3 370.408 4.173 50 30 FIEAHM Cc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c(C)n1-c1cccc(F)c1 ZINC000049406734 570962480 /nfs/dbraw/zinc/96/24/80/570962480.db2.gz MQNPMPKAXIMCPD-IBGZPJMESA-N -1 3 362.408 4.130 50 30 FIEAHM COc1cc(/C=C/C(=O)c2ccc(C(F)(F)F)cc2)cc(OC)c1[O-] ZINC000040140027 571021942 /nfs/dbraw/zinc/02/19/42/571021942.db2.gz GJEROGSQHHOIOI-FPYGCLRLSA-N -1 3 352.308 4.324 50 30 FIEAHM N#Cc1c([N-]C(=O)c2cc(-c3cccs3)on2)sc2c1CCCC2 ZINC000002497891 571203138 /nfs/dbraw/zinc/20/31/38/571203138.db2.gz PZRZIVNNRZNRRY-UHFFFAOYSA-N -1 3 355.444 4.467 50 30 FIEAHM COc1cccc(C=C2SC(=Nc3cccc([O-])c3)NC2=O)c1OC ZINC000006848484 571250514 /nfs/dbraw/zinc/25/05/14/571250514.db2.gz YLEZYBHYJRXRPG-DHDCSXOGSA-N -1 3 356.403 4.141 50 30 FIEAHM Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccccc1[O-] ZINC000252623687 571288511 /nfs/dbraw/zinc/28/85/11/571288511.db2.gz OXFPWPJDXWPGEH-UHFFFAOYSA-N -1 3 361.426 4.021 50 30 FIEAHM COc1cc(C(=O)/C=C\c2cnn(-c3ccc(Cl)cc3)c2)ccc1[O-] ZINC000096179243 571334779 /nfs/dbraw/zinc/33/47/79/571334779.db2.gz BNTIXUJUBXTYDV-WAPJZHGLSA-N -1 3 354.793 4.136 50 30 FIEAHM Cc1ccccc1C(=O)NC(=S)[N-]c1sc2c(c1C#N)CCCCC2 ZINC000002775591 571340902 /nfs/dbraw/zinc/34/09/02/571340902.db2.gz KTONBBOIFGMBBR-UHFFFAOYSA-N -1 3 369.515 4.324 50 30 FIEAHM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(/N=C/c2ccccc2O)cc1 ZINC000000672415 210261452 /nfs/dbraw/zinc/26/14/52/210261452.db2.gz RZICSKIAYKYEBB-FYJGNVAPSA-N -1 3 370.405 4.083 50 30 FIEAHM Cc1ccc([C@H]2c3c(=O)[n-][nH]c3NC3=C2C(=O)C[C@@H](c2ccco2)C3)s1 ZINC000018200789 211195669 /nfs/dbraw/zinc/19/56/69/211195669.db2.gz CFXVDCWPURRYCX-MGPLVRAMSA-N -1 3 367.430 4.036 50 30 FIEAHM Cc1ccc([C@H]2c3c(=O)[nH][n-]c3NC3=C2C(=O)C[C@@H](c2ccco2)C3)s1 ZINC000018200789 211195672 /nfs/dbraw/zinc/19/56/72/211195672.db2.gz CFXVDCWPURRYCX-MGPLVRAMSA-N -1 3 367.430 4.036 50 30 FIEAHM O=C1[N-]/C(=N\c2ccccc2)S[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000006222666 210663009 /nfs/dbraw/zinc/66/30/09/210663009.db2.gz WMZFGLFJCDCHES-AWEZNQCLSA-N -1 3 351.258 4.455 50 30 FIEAHM N#Cc1c([N-]C(=O)c2cc(-c3cccc(O)c3)on2)sc2c1CCCC2 ZINC000004881102 210575130 /nfs/dbraw/zinc/57/51/30/210575130.db2.gz DLYXSGJWGPOSPJ-UHFFFAOYSA-N -1 3 365.414 4.111 50 30 FIEAHM O=C(NC([N-]c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F)c1ccco1 ZINC000002050077 210376028 /nfs/dbraw/zinc/37/60/28/210376028.db2.gz HNZXSYZOYDRYNO-UHFFFAOYSA-N -1 3 370.224 4.082 50 30 FIEAHM CCCc1nc2ccccc2c(=O)n1/N=C/c1c([O-])ccc2ccccc21 ZINC000001307106 210340392 /nfs/dbraw/zinc/34/03/92/210340392.db2.gz MMMBVCLSHOFKAA-OEAKJJBVSA-N -1 3 357.413 4.090 50 30 FIEAHM Cc1nc2scc(-c3ccccc3)c2c(=O)n1/N=C/c1ccccc1[O-] ZINC000000842153 210279364 /nfs/dbraw/zinc/27/93/64/210279364.db2.gz OXFPWPJDXWPGEH-SRZZPIQSSA-N -1 3 361.426 4.021 50 30 FIEAHM N#Cc1c([N-]C(=S)NC(=O)C=Cc2cccs2)sc2c1CCCC2 ZINC000097405351 222178803 /nfs/dbraw/zinc/17/88/03/222178803.db2.gz DUKGFUOQNYZWLB-FPLPWBNLSA-N -1 3 373.528 4.086 50 30 FIEAHM [O-]c1ccc(Br)cc1/C=N/N=C1\C[C@@H](c2ccccc2)N=N1 ZINC000100827141 222254359 /nfs/dbraw/zinc/25/43/59/222254359.db2.gz IUTUYKAZMWANOF-CEIXVFBHSA-N -1 3 357.211 4.484 50 30 FIEAHM Cc1cccc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)c1[N+](=O)[O-] ZINC000103504625 222338419 /nfs/dbraw/zinc/33/84/19/222338419.db2.gz XGHNSZKKJOHMDE-KRWDZBQOSA-N -1 3 373.368 4.018 50 30 FIEAHM CCCCN(C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(OC)cc1)O2 ZINC000020518900 520417662 /nfs/dbraw/zinc/41/76/62/520417662.db2.gz PHLDXMGMIUOAAQ-MOSHPQCFSA-N -1 3 367.445 4.249 50 30 FIEAHM COc1cc(C(=O)/C=C\c2c(C)nn(-c3ccccc3)c2Cl)ccc1[O-] ZINC000096792757 522052066 /nfs/dbraw/zinc/05/20/66/522052066.db2.gz MSTSMYKFPSDUAA-LUAWRHEFSA-N -1 3 368.820 4.444 50 30 FIEAHM CC(=O)C1=C([O-])C(=O)N(c2ccc(Cl)cc2F)[C@@H]1C1CCCCC1 ZINC000003952070 560191686 /nfs/dbraw/zinc/19/16/86/560191686.db2.gz VQNLJXWZGVRLBA-MRXNPFEDSA-N -1 3 351.805 4.176 50 30 in-vitro FIEAHM CC([O-])=C1C(=O)C(=O)N(c2ccc(Cl)cc2F)[C@@H]1C1CCCCC1 ZINC000003952070 560191688 /nfs/dbraw/zinc/19/16/88/560191688.db2.gz VQNLJXWZGVRLBA-MRXNPFEDSA-N -1 3 351.805 4.176 50 30 in-vitro FIEAHM CC(C)c1ccc([C@H]2c3c(=O)[nH][n-]c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000012347569 568283792 /nfs/dbraw/zinc/28/37/92/568283792.db2.gz WEDOSOKPIVSJKO-MRXNPFEDSA-N -1 3 351.450 4.439 50 30 FIEAHM O=C(/C=C/c1cccc(Cl)c1)c1cc(Br)ccc(=O)c1[O-] ZINC000004667465 570600232 /nfs/dbraw/zinc/60/02/32/570600232.db2.gz IWUQVYPVUROZLW-GQCTYLIASA-N -1 3 365.610 4.064 50 30 FIEAHM Cc1cccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccccc2)n1 ZINC000008743788 570687188 /nfs/dbraw/zinc/68/71/88/570687188.db2.gz LINVUFLTQHGQJC-HXUWFJFHSA-N -1 3 370.408 4.173 50 30 FIEAHM Cc1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)n1 ZINC000008743788 570687189 /nfs/dbraw/zinc/68/71/89/570687189.db2.gz LINVUFLTQHGQJC-HXUWFJFHSA-N -1 3 370.408 4.173 50 30 FIEAHM CCOc1ccc(/C=C2/Oc3c(ccc([O-])c3CN(CC)CC)C2=O)cc1 ZINC000036065987 571079524 /nfs/dbraw/zinc/07/95/24/571079524.db2.gz FNVWYYZXEGAYQK-DEDYPNTBSA-N -1 3 367.445 4.249 50 30 FIEAHM O=C1[N-]/C(=N/c2ccc(Cl)cc2)S[C@H]1Cc1ccc(Cl)cc1 ZINC000005649535 571214402 /nfs/dbraw/zinc/21/44/02/571214402.db2.gz GGHAKSUARLJHQT-AWEZNQCLSA-N -1 3 351.258 4.455 50 30 FIEAHM [O-]c1ccc(Br)cc1C=NNc1cccc(Br)c1 ZINC000252588823 571283798 /nfs/dbraw/zinc/28/37/98/571283798.db2.gz AEJKMXJOPSBXSL-UHFFFAOYSA-N -1 3 370.044 4.363 50 30 FIEAHM Cc1ccccc1C(=O)NC(=S)[N-]c1sc2c(c1C#N)CC[C@H](C)C2 ZINC000000649615 210258083 /nfs/dbraw/zinc/25/80/83/210258083.db2.gz HCVKEOMJMKJSJH-NSHDSACASA-N -1 3 369.515 4.180 50 30 FIEAHM COc1cc(C(=O)/C=C\c2cc(Cl)c3c(c2)OCCCO3)ccc1[O-] ZINC000096809604 210240985 /nfs/dbraw/zinc/24/09/85/210240985.db2.gz YPYPNPQFGWYDIX-HYXAFXHYSA-N -1 3 360.793 4.112 50 30 FIEAHM O=C1c2ccc([O-])c(CN3CCCCC3)c2O/C1=C\c1ccc(F)cc1 ZINC000004339582 210229984 /nfs/dbraw/zinc/22/99/84/210229984.db2.gz RKYMSWYPIJFOBE-UNOMPAQXSA-N -1 3 353.393 4.133 50 30 biogenic FIEAHM CO[P@@](=O)(C#Cc1ccccc1)[C@@]([O-])(c1ccccc1)C(F)(F)F ZINC000002316788 210151053 /nfs/dbraw/zinc/15/10/53/210151053.db2.gz JETBBCIKNHGVGW-FYSMJZIKSA-N -1 3 354.264 4.328 50 30 FIEAHM CO[P@](=O)(C#Cc1ccccc1)[C@]([O-])(c1ccccc1)C(F)(F)F ZINC000002316791 210150687 /nfs/dbraw/zinc/15/06/87/210150687.db2.gz JETBBCIKNHGVGW-VOIUYBSRSA-N -1 3 354.264 4.328 50 30 FIEAHM C=CCc1cccc(C=NN2C(=S)N=NC2c2ccccc2Cl)c1[O-] ZINC000002239198 210384968 /nfs/dbraw/zinc/38/49/68/210384968.db2.gz HAGCRBJGMNFWPG-RGVLZGJSSA-N -1 3 370.865 4.204 50 30 FIEAHM Cc1ccc(/N=C/c2cc(C)cc(I)c2[O-])c(O)c1 ZINC000001444778 210352782 /nfs/dbraw/zinc/35/27/82/210352782.db2.gz HKILWHHAHJOXNH-CAOOACKPSA-N -1 3 367.186 4.070 50 30 FIEAHM CN1CCc2c(C#N)c(/N=C/c3cc(C(C)(C)C)ccc3[O-])sc2C1 ZINC000001241889 210338689 /nfs/dbraw/zinc/33/86/89/210338689.db2.gz TWLSJXOOTDVYIZ-SSDVNMTOSA-N -1 3 353.491 4.361 50 30 FIEAHM C[C@@H]1CCCc2sc([N-]C(=S)NC(=O)c3ccccc3)c(C#N)c21 ZINC000001146640 210324998 /nfs/dbraw/zinc/32/49/98/210324998.db2.gz GLZCJWRLOBYHFO-LLVKDONJSA-N -1 3 355.488 4.186 50 30 FIEAHM CC(=O)C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000001061679 210312290 /nfs/dbraw/zinc/31/22/90/210312290.db2.gz UJBDBLZFCSNRHQ-MRXNPFEDSA-N -1 3 361.319 4.194 50 30 FIEAHM CC([O-])=C1C(=O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000001061679 210312295 /nfs/dbraw/zinc/31/22/95/210312295.db2.gz UJBDBLZFCSNRHQ-MRXNPFEDSA-N -1 3 361.319 4.194 50 30 FIEAHM Cc1c2c(c(C)n1/N=C/c1cc(Br)ccc1[O-])c(C)nnc2C ZINC000000842738 210278836 /nfs/dbraw/zinc/27/88/36/210278836.db2.gz JNWJJUSSCCYVOR-UFWORHAWSA-N -1 3 373.254 4.015 50 30 FIEAHM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccccc2)cc1 ZINC000102588470 222301404 /nfs/dbraw/zinc/30/14/04/222301404.db2.gz JRBGVRLMAKPLHC-YDJIHCHBSA-N -1 3 370.408 4.016 50 30 FIEAHM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccccc2)cc1 ZINC000102588470 222301408 /nfs/dbraw/zinc/30/14/08/222301408.db2.gz JRBGVRLMAKPLHC-YDJIHCHBSA-N -1 3 370.408 4.016 50 30 FIEAHM CCOc1cc(/C=C/C(=O)c2cc(OC)ccc2OC)cc(Cl)c1[O-] ZINC000008477785 520618982 /nfs/dbraw/zinc/61/89/82/520618982.db2.gz DWSIWWRDPMGIRY-FNORWQNLSA-N -1 3 362.809 4.358 50 30 FIEAHM CCOc1cc2c(cc1/C=C/C(=O)c1ccc([O-])c(OC)c1)O[C@@H](C)C2 ZINC000008322796 520790074 /nfs/dbraw/zinc/79/00/74/520790074.db2.gz RIACNAUNHXXMQG-YBJDMEARSA-N -1 3 354.402 4.019 50 30 FIEAHM COc1cc(C(=O)/C=C/c2c(C)nn(Cc3ccccc3)c2C)ccc1[O-] ZINC000008322765 522050117 /nfs/dbraw/zinc/05/01/17/522050117.db2.gz PGVRHLIEWMIYIK-ZRDIBKRKSA-N -1 3 362.429 4.159 50 30 FIEAHM COc1cc(C(=O)/C=C\c2c(C)nn(-c3ccc(F)cc3)c2C)ccc1[O-] ZINC000096891390 522050243 /nfs/dbraw/zinc/05/02/43/522050243.db2.gz GQCCVADTFZAZLP-LUAWRHEFSA-N -1 3 366.392 4.239 50 30 FIEAHM O=C1C(=O)N(c2cccnc2)[C@@H](c2ccccc2F)C1=C([O-])c1ccccc1 ZINC000004312103 570584492 /nfs/dbraw/zinc/58/44/92/570584492.db2.gz XIGUOQIINOUMRE-IBGZPJMESA-N -1 3 374.371 4.004 50 30 FIEAHM O=C1[N-]C(=O)c2cc(-c3ccc(/C=C4\Sc5ccccc5C4=O)o3)ccc21 ZINC000004507661 570806806 /nfs/dbraw/zinc/80/68/06/570806806.db2.gz ZPOIQZMLGSXSQL-ZDLGFXPLSA-N -1 3 373.389 4.160 50 30 FIEAHM Cn1c(Cl)c(Cl)cc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000040089623 571074777 /nfs/dbraw/zinc/07/47/77/571074777.db2.gz HAODNMOUVJCQJM-QMMMGPOBSA-N -1 3 362.138 4.236 50 30 FIEAHM [O-]c1ccccc1/C=N/N=C/c1ccc(/C=N/N=C/c2ccccc2O)cc1 ZINC000001828193 571197446 /nfs/dbraw/zinc/19/74/46/571197446.db2.gz BBCLKQXZKKYJPJ-HWWGJKEPSA-N -1 3 370.412 4.004 50 30 FIEAHM N#Cc1cnc(Cl)c([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000170609108 571267390 /nfs/dbraw/zinc/26/73/90/571267390.db2.gz NZVCELLSSXBCKP-UHFFFAOYSA-N -1 3 369.833 4.074 50 30 FIEAHM N#Cc1c([N-]C(=O)c2ccc(Br)o2)sc2c1CCCC2 ZINC000002995946 571343374 /nfs/dbraw/zinc/34/33/74/571343374.db2.gz ODBXUBSKIIGWJL-UHFFFAOYSA-N -1 3 351.225 4.106 50 30 FIEAHM CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2F)cc(Cl)c1[O-] ZINC000014139385 1090310137 /nfs/dbraw/zinc/31/01/37/1090310137.db2.gz TWIXFOVMVYVVFD-QPJJXVBHSA-N -1 3 350.773 4.488 50 30 FIEAHM O=C1[N-]/C(=N\c2ccccc2)S[C@@H]1Cc1cc(Cl)ccc1Cl ZINC000017178113 220209769 /nfs/dbraw/zinc/20/97/69/220209769.db2.gz BKXWPKWWNAIQQW-CQSZACIVSA-N -1 3 351.258 4.455 50 30 FIEAHM CCOc1cc(-c2c(C#N)c(N)nc3c2CCc2ccccc2-3)ccc1[O-] ZINC000019095832 220235410 /nfs/dbraw/zinc/23/54/10/220235410.db2.gz SHFWXLJFNDXSPU-UHFFFAOYSA-N -1 3 357.413 4.072 50 30 FIEAHM O=C1C(=O)N(c2ccccc2)[C@H](c2ccccc2)C1=C([O-])c1ccccc1 ZINC000100439896 222244402 /nfs/dbraw/zinc/24/44/02/222244402.db2.gz UQBGJFLODCDKNC-YDJIHCHBSA-N -1 3 355.393 4.313 50 30 FIEAHM O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000100439896 222244405 /nfs/dbraw/zinc/24/44/05/222244405.db2.gz UQBGJFLODCDKNC-YDJIHCHBSA-N -1 3 355.393 4.313 50 30 FIEAHM COc1cc(C(=O)/C=C\c2c(C)nn(Cc3ccccc3)c2C)ccc1[O-] ZINC000096792770 522051862 /nfs/dbraw/zinc/05/18/62/522051862.db2.gz PGVRHLIEWMIYIK-BENRWUELSA-N -1 3 362.429 4.159 50 30 FIEAHM O=C1C(=O)N(c2ccc(O)cc2)[C@H](c2ccccc2)C1=C([O-])c1ccccc1 ZINC000005491445 570663451 /nfs/dbraw/zinc/66/34/51/570663451.db2.gz BYXCYOZKXQXYEV-HXUWFJFHSA-N -1 3 371.392 4.175 50 30 FIEAHM O=C(C1=C([O-])C(=O)N(c2ccc(O)cc2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000005491445 570663453 /nfs/dbraw/zinc/66/34/53/570663453.db2.gz BYXCYOZKXQXYEV-HXUWFJFHSA-N -1 3 371.392 4.175 50 30 FIEAHM Cc1cc(I)c([O-])c(/C=N/c2ccc(F)cc2)c1 ZINC000001433555 571077107 /nfs/dbraw/zinc/07/71/07/571077107.db2.gz QFFPGIKYPYSBCG-CAOOACKPSA-N -1 3 355.150 4.195 50 30 FIEAHM C=CCn1c2ccccc2nc1NCc1cc(Br)ccc1[O-] ZINC000002603034 571339196 /nfs/dbraw/zinc/33/91/96/571339196.db2.gz NMGBUAFDORTRLW-UHFFFAOYSA-N -1 3 358.239 4.303 50 30 FIEAHM COc1cc(Br)cc(/C=N/c2sc(C)c(C)c2C#N)c1[O-] ZINC000004150680 571356256 /nfs/dbraw/zinc/35/62/56/571356256.db2.gz BQRROOLUGNAETA-CNHKJKLMSA-N -1 3 365.252 4.464 50 30 FIEAHM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@@H]2c2ccccc2)no1 ZINC000017245812 220212231 /nfs/dbraw/zinc/21/22/31/220212231.db2.gz DPWRSMMXBGISFS-IBGZPJMESA-N -1 3 374.396 4.074 50 30 FIEAHM Cc1cc([O-])c(CN2CCCC[C@H]2C)c2c1C(=O)/C(=C/c1ccncc1)O2 ZINC000020573683 220333301 /nfs/dbraw/zinc/33/33/01/220333301.db2.gz WABAKMRZAIJNGU-VUFYJBQKSA-N -1 3 364.445 4.086 50 30 FIEAHM O=C1C(=O)N(c2ccccc2)[C@H](c2ccccc2F)C1=C([O-])c1ccccc1 ZINC000104124503 222349564 /nfs/dbraw/zinc/34/95/64/222349564.db2.gz SEERVJRHIZOEMS-YDJIHCHBSA-N -1 3 373.383 4.452 50 30 FIEAHM Cc1cccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccccc2)n1 ZINC000104201763 222352170 /nfs/dbraw/zinc/35/21/70/222352170.db2.gz CNACPUVRAKWGMB-YDJIHCHBSA-N -1 3 370.408 4.016 50 30 FIEAHM Cc1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)n1 ZINC000104201763 222352175 /nfs/dbraw/zinc/35/21/75/222352175.db2.gz CNACPUVRAKWGMB-YDJIHCHBSA-N -1 3 370.408 4.016 50 30 FIEAHM C=CCc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(OCC)c1[O-] ZINC000013119352 519125881 /nfs/dbraw/zinc/12/58/81/519125881.db2.gz VCXYZZDKFSPETH-XQNSMLJCSA-N -1 3 366.461 4.107 50 30 FIEAHM CCOc1cc2c(cc1/C=C/C(=O)c1ccc([O-])c(OC)c1)O[C@H](C)C2 ZINC000008322795 520788793 /nfs/dbraw/zinc/78/87/93/520788793.db2.gz RIACNAUNHXXMQG-KTRBRXNASA-N -1 3 354.402 4.019 50 30 FIEAHM COc1cc(/C=C\C(=O)c2cccc(N3CCCC3=O)c2)cc(Cl)c1[O-] ZINC000096920256 521984470 /nfs/dbraw/zinc/98/44/70/521984470.db2.gz QKUOIEFUXUDMQC-FPLPWBNLSA-N -1 3 371.820 4.077 50 30 FIEAHM COc1cc(C(=O)/C=C\c2cc(Br)ccc2F)ccc1[O-] ZINC000096792771 522051885 /nfs/dbraw/zinc/05/18/85/522051885.db2.gz DNPMOOFURXCQMC-KXFIGUGUSA-N -1 3 351.171 4.199 50 30 FIEAHM [O-]c1ccc2ccccc2c1C=NN1C(=S)N=NC1C1CCCCC1 ZINC000244716101 526354926 /nfs/dbraw/zinc/35/49/26/526354926.db2.gz LILNRAQFQLWKEF-UHFFFAOYSA-N -1 3 352.463 4.356 50 30 FIEAHM [O-]c1ccc(Br)cc1C=NNc1cccc(Br)c1 ZINC000004647173 570598227 /nfs/dbraw/zinc/59/82/27/570598227.db2.gz AEJKMXJOPSBXSL-LZYBPNLTSA-N -1 3 370.044 4.363 50 30 FIEAHM O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1ccccc1 ZINC000006139769 570642172 /nfs/dbraw/zinc/64/21/72/570642172.db2.gz NEDVLBJVXXPBHL-GOSISDBHSA-N -1 3 357.413 4.142 50 30 FIEAHM CC(C)n1cc(CC(=O)Nc2nnc(C(F)(F)F)[n-]2)c2ccccc21 ZINC000072404098 571141539 /nfs/dbraw/zinc/14/15/39/571141539.db2.gz YMROTPLBZLHDOQ-UHFFFAOYSA-N -1 3 351.332 4.190 50 30 FIEAHM CC(C)n1cc(CC(=O)Nc2nc(C(F)(F)F)n[n-]2)c2ccccc21 ZINC000072404098 571141542 /nfs/dbraw/zinc/14/15/42/571141542.db2.gz YMROTPLBZLHDOQ-UHFFFAOYSA-N -1 3 351.332 4.190 50 30 FIEAHM Cc1cc(NN=Cc2cc(Br)ccc2[O-])nc2ccccc12 ZINC000004677976 571158257 /nfs/dbraw/zinc/15/82/57/571158257.db2.gz XWEYJHXJCPJLIR-VXLYETTFSA-N -1 3 356.223 4.457 50 30 FIEAHM COc1cc(/C=C2/Sc3ccccc3C2=O)cc(Br)c1[O-] ZINC000000656919 219310712 /nfs/dbraw/zinc/31/07/12/219310712.db2.gz TYKPRMJYWXJWMX-RIYZIHGNSA-N -1 3 363.232 4.493 50 30 FIEAHM N#Cc1c([N-]C(=S)NC(=O)c2ccc(F)cc2)sc2c1CCCCC2 ZINC000000827138 219327493 /nfs/dbraw/zinc/32/74/93/219327493.db2.gz XMZDKJMODUEWCU-UHFFFAOYSA-N -1 3 373.478 4.155 50 30 FIEAHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3ccc(Br)o3)sc2C1 ZINC000000995699 219350739 /nfs/dbraw/zinc/35/07/39/219350739.db2.gz MFDNYBUYJWOWAZ-QMMMGPOBSA-N -1 3 365.252 4.352 50 30 FIEAHM CCC(C)(C)[C@H]1CCc2c(C#N)c([N-]C(=O)c3cnccn3)sc2C1 ZINC000001054375 219359175 /nfs/dbraw/zinc/35/91/75/219359175.db2.gz DEZBTIWWXQKRMN-LBPRGKRZSA-N -1 3 354.479 4.203 50 30 FIEAHM COc1ccc(/C(CCCC/C(=N\O)c2ccc(OC)cc2)=N/[O-])cc1 ZINC000004844172 523367619 /nfs/dbraw/zinc/36/76/19/523367619.db2.gz LASVMYHKUXVWCB-FLFKKZLDSA-N -1 3 356.422 4.321 50 30 FIEAHM O=c1[n-][nH]c2c1[C@@H](c1cccc(Oc3ccccc3)c1)C1=C(CCCC1=O)N2 ZINC000012347368 568282447 /nfs/dbraw/zinc/28/24/47/568282447.db2.gz HDKQVSBDSQVZCD-SFHVURJKSA-N -1 3 373.412 4.472 50 30 FIEAHM O=c1[nH][n-]c2c1[C@@H](c1cccc(Oc3ccccc3)c1)C1=C(CCCC1=O)N2 ZINC000012347368 568282449 /nfs/dbraw/zinc/28/24/49/568282449.db2.gz HDKQVSBDSQVZCD-SFHVURJKSA-N -1 3 373.412 4.472 50 30 FIEAHM O=C1c2ccc([O-])c(CN3CCCC3)c2O/C1=C\c1cc2ccccc2o1 ZINC000009576593 571113870 /nfs/dbraw/zinc/11/38/70/571113870.db2.gz ZULMPQMAVSEZST-NDENLUEZSA-N -1 3 361.397 4.350 50 30 biogenic FIEAHM CCCCCCCCS(=O)(=O)N/N=C/c1c([O-])ccc2ccccc21 ZINC000097960684 571204074 /nfs/dbraw/zinc/20/40/74/571204074.db2.gz QJWRYARVCQGCQC-HMMYKYKNSA-N -1 3 362.495 4.159 50 30 FIEAHM Cc1ccc(/C=C2\Oc3c(ccc([O-])c3CN3CCCC[C@H]3C)C2=O)o1 ZINC000002352930 571318981 /nfs/dbraw/zinc/31/89/81/571318981.db2.gz BCANTTZSWSQVNF-LPXFMOJISA-N -1 3 353.418 4.284 50 30 biogenic FIEAHM [O-]/N=C(/NCc1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl ZINC000004073411 571354762 /nfs/dbraw/zinc/35/47/62/571354762.db2.gz UHSRJHSVOYMATK-UHFFFAOYSA-N -1 3 364.154 4.333 50 30 FIEAHM CC([O-])=C1C(=O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccc(C)cc1 ZINC000000846453 219329513 /nfs/dbraw/zinc/32/95/13/219329513.db2.gz GYCHJUWVOHWZAV-QGZVFWFLSA-N -1 3 364.426 4.094 50 30 FIEAHM CCOc1ccc(/C=C2\Oc3c(ccc([O-])c3CN3CCCC3)C2=O)cc1 ZINC000020624453 220337347 /nfs/dbraw/zinc/33/73/47/220337347.db2.gz YBCPVRWNIMMFBU-MOSHPQCFSA-N -1 3 365.429 4.003 50 30 FIEAHM COc1cc(-c2cc(-c3scnc3C)nc(N)c2C#N)c(Cl)cc1[O-] ZINC000071614935 221352742 /nfs/dbraw/zinc/35/27/42/221352742.db2.gz YVVUVFGUHVCQRL-UHFFFAOYSA-N -1 3 372.837 4.002 50 30 FIEAHM COc1cc(/C=C\C(=O)c2ccc(F)cc2)cc(Br)c1[O-] ZINC000096298654 222113620 /nfs/dbraw/zinc/11/36/20/222113620.db2.gz CXRVCTOVVVKDCZ-UQCOIBPSSA-N -1 3 351.171 4.199 50 30 FIEAHM Cc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2cccnc2)cc1 ZINC000102525211 222297590 /nfs/dbraw/zinc/29/75/90/222297590.db2.gz ZCAPIJFGABDPPQ-YDJIHCHBSA-N -1 3 370.408 4.016 50 30 FIEAHM Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccnc2)cc1 ZINC000102525211 222297592 /nfs/dbraw/zinc/29/75/92/222297592.db2.gz ZCAPIJFGABDPPQ-YDJIHCHBSA-N -1 3 370.408 4.016 50 30 FIEAHM COc1cc(C(=O)/C=C\c2cc(Br)ccc2OC)ccc1[O-] ZINC000096792753 522053315 /nfs/dbraw/zinc/05/33/15/522053315.db2.gz WNRAXLSKKWHESB-XQRVVYSFSA-N -1 3 363.207 4.068 50 30 FIEAHM S=c1[n-]c(NN=Cc2ccccc2OCc2ccccc2Cl)n[nH]1 ZINC000253470688 526388239 /nfs/dbraw/zinc/38/82/39/526388239.db2.gz OVORHOAHSLROKJ-UHFFFAOYSA-N -1 3 359.842 4.146 50 30 FIEAHM O=C1c2cccc([O-])c2C/C1=C\c1ccc(OC(F)F)cc1OC(F)F ZINC000040024490 527126571 /nfs/dbraw/zinc/12/65/71/527126571.db2.gz ZKPJGJKDHQCXLU-UXBLZVDNSA-N -1 3 368.282 4.417 50 30 FIEAHM C=CCc1cccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)c1[O-] ZINC000005668185 570632936 /nfs/dbraw/zinc/63/29/36/570632936.db2.gz IMTKZZBHOQVUNU-RGVLZGJSSA-N -1 3 370.865 4.204 50 30 FIEAHM CCOc1ccc(/C=C2\Oc3c(ccc([O-])c3CN(CC)CC)C2=O)cc1 ZINC000013653589 570782514 /nfs/dbraw/zinc/78/25/14/570782514.db2.gz FNVWYYZXEGAYQK-MOSHPQCFSA-N -1 3 367.445 4.249 50 30 FIEAHM O=C1C(=O)N(c2ccc(O)cc2)[C@H](c2ccccc2)C1=C([O-])c1ccccc1 ZINC000102623831 570834590 /nfs/dbraw/zinc/83/45/90/570834590.db2.gz PUZNUNAVSUVFIY-GOBJLOIFSA-N -1 3 371.392 4.019 50 30 FIEAHM O=C(C1=C([O-])C(=O)N(c2ccc(O)cc2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000102623831 570834592 /nfs/dbraw/zinc/83/45/92/570834592.db2.gz PUZNUNAVSUVFIY-GOBJLOIFSA-N -1 3 371.392 4.019 50 30 FIEAHM O=C1c2cccc([O-])c2C/C1=C/c1ccc(OC(F)F)cc1OC(F)F ZINC000011336017 571233420 /nfs/dbraw/zinc/23/34/20/571233420.db2.gz ZKPJGJKDHQCXLU-POHAHGRESA-N -1 3 368.282 4.417 50 30 FIEAHM N#Cc1c([N-]C(=S)NC(=O)C=Cc2cccs2)sc2c1CCCC2 ZINC000003136445 571345035 /nfs/dbraw/zinc/34/50/35/571345035.db2.gz DUKGFUOQNYZWLB-BQYQJAHWSA-N -1 3 373.528 4.086 50 30 FIEAHM CCOc1cc(/C=N/[O-])cc(Br)c1OCc1cccc(F)c1 ZINC000016688592 220190783 /nfs/dbraw/zinc/19/07/83/220190783.db2.gz HAYCTPGCEYDLHU-DJKKODMXSA-N -1 3 368.202 4.374 50 30 FIEAHM O=c1[nH][n-]c2c1[C@H](c1ccsc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018197254 220228073 /nfs/dbraw/zinc/22/80/73/220228073.db2.gz CICVUTPLLUWNMK-IINYFYTJSA-N -1 3 369.471 4.197 50 30 FIEAHM O=c1[n-][nH]c2c1[C@H](c1ccsc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018197254 220228074 /nfs/dbraw/zinc/22/80/74/220228074.db2.gz CICVUTPLLUWNMK-IINYFYTJSA-N -1 3 369.471 4.197 50 30 FIEAHM CCn1cc(-c2cc(-c3ccc([O-])c(O)c3)c(C#N)c(N)n2)c2ccccc21 ZINC000071754738 221365605 /nfs/dbraw/zinc/36/56/05/221365605.db2.gz RDECAFKMBAGGHS-UHFFFAOYSA-N -1 3 370.412 4.255 50 30 FIEAHM O=C1C(=O)N(c2ccc(F)cc2)[C@@H](c2ccccc2)C1=C([O-])c1ccccc1 ZINC000102925528 222313055 /nfs/dbraw/zinc/31/30/55/222313055.db2.gz WAZBIZRDEGJKCF-NHFXJNLRSA-N -1 3 373.383 4.452 50 30 FIEAHM CCOc1cc(/C=C\C(=O)c2ccc3c(c2)OCCO3)cc(Cl)c1[O-] ZINC000033476426 520636886 /nfs/dbraw/zinc/63/68/86/520636886.db2.gz SHRDZEZAXQASNS-HYXAFXHYSA-N -1 3 360.793 4.112 50 30 FIEAHM COc1cc(N=NCc2c([O-])ccc3ccccc32)nc(-c2ccccc2)n1 ZINC000005003453 570574086 /nfs/dbraw/zinc/57/40/86/570574086.db2.gz SAGIDOKGAHNCBA-OEAKJJBVSA-N -1 3 370.412 4.457 50 30 FIEAHM C/C(=N\N1CCN(Cc2cccc3ccccc32)CC1)c1ccccc1[O-] ZINC000004567516 570596492 /nfs/dbraw/zinc/59/64/92/570596492.db2.gz ZITRVRHEEJBNHL-HKOYGPOVSA-N -1 3 359.473 4.087 50 30 FIEAHM O=C1C(=O)N(c2ccc(O)cc2)[C@@H](c2ccccc2)C1=C([O-])c1ccccc1 ZINC000102623833 570834995 /nfs/dbraw/zinc/83/49/95/570834995.db2.gz PUZNUNAVSUVFIY-LCPUNJGISA-N -1 3 371.392 4.019 50 30 FIEAHM O=C(C1=C([O-])C(=O)N(c2ccc(O)cc2)[C@H]1c1ccccc1)c1ccccc1 ZINC000102623833 570834997 /nfs/dbraw/zinc/83/49/97/570834997.db2.gz PUZNUNAVSUVFIY-LCPUNJGISA-N -1 3 371.392 4.019 50 30 FIEAHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccc(Oc2ccccc2)cc1 ZINC000047343311 570886462 /nfs/dbraw/zinc/88/64/62/570886462.db2.gz VRPYVJUSDBFNDV-UHFFFAOYSA-N -1 3 357.373 4.295 50 30 FIEAHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccc(Oc2ccccc2)cc1 ZINC000047343311 570886464 /nfs/dbraw/zinc/88/64/64/570886464.db2.gz VRPYVJUSDBFNDV-UHFFFAOYSA-N -1 3 357.373 4.295 50 30 FIEAHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1ccc(Oc2ccccc2)cc1 ZINC000047343311 570886466 /nfs/dbraw/zinc/88/64/66/570886466.db2.gz VRPYVJUSDBFNDV-UHFFFAOYSA-N -1 3 357.373 4.295 50 30 FIEAHM O=C1C[C@H](c2cccs2)CC2=Nc3nonc3[N-][C@H](c3ccccc3)C12 ZINC000012409231 571093535 /nfs/dbraw/zinc/09/35/35/571093535.db2.gz ALRHUGTWLUJUSP-SJKOYZFVSA-N -1 3 364.430 4.111 50 30 FIEAHM [O-]N=Cc1ccc(OC[C@H](O)Cn2c3ccccc3c3ccccc32)cc1 ZINC000252628070 571289308 /nfs/dbraw/zinc/28/93/08/571289308.db2.gz SHMUXVRDOIWDHZ-QGZVFWFLSA-N -1 3 360.413 4.043 50 30 FIEAHM N#Cc1c([N-]C(=O)c2cc(-c3ccc(F)cc3)on2)sc2c1CCC2 ZINC000002465497 1102908693 /nfs/dbraw/zinc/90/86/93/1102908693.db2.gz VKFFADKBVYNMRG-UHFFFAOYSA-N -1 3 353.378 4.155 50 30 FIEAHM CCC(=NN=c1[nH]c2ccccc2n1C)c1cc(Br)ccc1[O-] ZINC000254738706 1114422116 /nfs/dbraw/zinc/42/21/16/1114422116.db2.gz KCELRBSHCUFHTN-UHFFFAOYSA-N -1 3 373.254 4.268 50 30 FIEAHM [O-]c1ccc(Br)cc1/C=N/N=C1/C[C@@H](c2ccccc2)N=N1 ZINC000013563790 220074551 /nfs/dbraw/zinc/07/45/51/220074551.db2.gz IUTUYKAZMWANOF-NVZAWQASSA-N -1 3 357.211 4.484 50 30 FIEAHM O=c1[nH][n-]c2c1[C@@H](c1ccsc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018197256 220227777 /nfs/dbraw/zinc/22/77/77/220227777.db2.gz CICVUTPLLUWNMK-HZMBPMFUSA-N -1 3 369.471 4.197 50 30 FIEAHM O=c1[n-][nH]c2c1[C@@H](c1ccsc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018197256 220227781 /nfs/dbraw/zinc/22/77/81/220227781.db2.gz CICVUTPLLUWNMK-HZMBPMFUSA-N -1 3 369.471 4.197 50 30 FIEAHM Cc1ccc([C@@H]2c3c(=O)[n-][nH]c3NC3=C2C(=O)C[C@@H](c2ccco2)C3)s1 ZINC000018200790 220228166 /nfs/dbraw/zinc/22/81/66/220228166.db2.gz CFXVDCWPURRYCX-QFYYESIMSA-N -1 3 367.430 4.036 50 30 FIEAHM Cc1ccc([C@@H]2c3c(=O)[nH][n-]c3NC3=C2C(=O)C[C@@H](c2ccco2)C3)s1 ZINC000018200790 220228167 /nfs/dbraw/zinc/22/81/67/220228167.db2.gz CFXVDCWPURRYCX-QFYYESIMSA-N -1 3 367.430 4.036 50 30 FIEAHM COc1cc(/C=C\C(=O)c2ccc(C)s2)cc(Br)c1[O-] ZINC000096843910 222134889 /nfs/dbraw/zinc/13/48/89/222134889.db2.gz PFXZZEFLGGMYDA-PLNGDYQASA-N -1 3 353.237 4.429 50 30 FIEAHM O=C1C(=O)N(c2ccccc2)[C@@H](c2ccccc2)C1=C([O-])c1ccc(F)cc1 ZINC000104130208 222349758 /nfs/dbraw/zinc/34/97/58/222349758.db2.gz BBAYGBXOSDVSBC-NHFXJNLRSA-N -1 3 373.383 4.452 50 30 FIEAHM O=[N+]([O-])c1ccc(C=N[N-]c2nc3c(cc(Cl)cc3Cl)s2)s1 ZINC000004382710 570588380 /nfs/dbraw/zinc/58/83/80/570588380.db2.gz PMTUGDRYGZSCAB-PJQLUOCWSA-N -1 3 373.246 4.441 50 30 FIEAHM CCc1c(C)c(C#N)c2nc3ccccc3n2c1NN=Cc1cccc([O-])c1 ZINC000005461655 570659433 /nfs/dbraw/zinc/65/94/33/570659433.db2.gz UXHYLQXIQLQMAR-ZMOGYAJESA-N -1 3 369.428 4.382 50 30 FIEAHM O=C1C(=O)N(c2ccccn2)[C@H](c2cccc(F)c2)C1=C([O-])c1ccccc1 ZINC000009087944 570691187 /nfs/dbraw/zinc/69/11/87/570691187.db2.gz WQPJTSPKZZGEFA-LJQANCHMSA-N -1 3 374.371 4.004 50 30 FIEAHM CCc1cc2c(CSc3nc(C)cc(C)c3C#N)cc(=O)oc2cc1[O-] ZINC000010267159 571124593 /nfs/dbraw/zinc/12/45/93/571124593.db2.gz CPAWGZDDOYHQIW-UHFFFAOYSA-N -1 3 366.442 4.237 50 30 FIEAHM O=[N+]([O-])c1cccc(-c2nc3ccccn3c2N=Cc2ccc(O)cc2[O-])c1 ZINC000252517752 571282162 /nfs/dbraw/zinc/28/21/62/571282162.db2.gz QKQHAHQXIGKIQW-UHFFFAOYSA-N -1 3 374.356 4.071 50 30 FIEAHM CC(=N[O-])[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=NO)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000252617430 571286132 /nfs/dbraw/zinc/28/61/32/571286132.db2.gz KSSPDEQUJJVMTE-ZUHHCLADSA-N -1 3 360.498 4.361 50 30 FIEAHM CC(=N[O-])[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=NO)CC[C@@]4(C)[C@@H]3CC[C@]21C ZINC000253531416 571318763 /nfs/dbraw/zinc/31/87/63/571318763.db2.gz KSSPDEQUJJVMTE-WSBLSWJJSA-N -1 3 360.498 4.361 50 30 FIEAHM Cc1ccc(/C=C2\Oc3c(ccc([O-])c3CN3CCC[C@@H](C)C3)C2=O)o1 ZINC000002439484 571322299 /nfs/dbraw/zinc/32/22/99/571322299.db2.gz XDIFVRQXTINFOC-XTBHVRTMSA-N -1 3 353.418 4.142 50 30 biogenic FIEAHM Cc1ccc([C@H]2c3c(=O)[n-][nH]c3NC3=C2C(=O)C[C@H](c2ccco2)C3)s1 ZINC000018200786 220228149 /nfs/dbraw/zinc/22/81/49/220228149.db2.gz CFXVDCWPURRYCX-QLJPJBMISA-N -1 3 367.430 4.036 50 30 FIEAHM Cc1ccc([C@H]2c3c(=O)[nH][n-]c3NC3=C2C(=O)C[C@H](c2ccco2)C3)s1 ZINC000018200786 220228151 /nfs/dbraw/zinc/22/81/51/220228151.db2.gz CFXVDCWPURRYCX-QLJPJBMISA-N -1 3 367.430 4.036 50 30 FIEAHM COc1cccc(/C=C2\Oc3c(ccc([O-])c3CN3CCCCC3)C2=O)c1 ZINC000022625646 220392749 /nfs/dbraw/zinc/39/27/49/220392749.db2.gz LYGPTKJACHUGLY-MOSHPQCFSA-N -1 3 365.429 4.003 50 30 biogenic FIEAHM C=CCC1(CC=C)CCCCN1C(=O)c1c[n-]c2ccc(OC)cc2c1=O ZINC000063848684 221143887 /nfs/dbraw/zinc/14/38/87/221143887.db2.gz SYPGIUQPANAOGU-UHFFFAOYSA-N -1 3 366.461 4.054 50 30 FIEAHM CCOC(=O)Cc1ccc(C(=O)/C=C/c2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000032915312 520904012 /nfs/dbraw/zinc/90/40/12/520904012.db2.gz ZJHIDGCASOINDH-RMKNXTFCSA-N -1 3 374.820 4.056 50 30 FIEAHM COc1cc(/C=C/C(=O)c2ccccc2-n2cccn2)cc(Cl)c1[O-] ZINC000060085845 521940752 /nfs/dbraw/zinc/94/07/52/521940752.db2.gz WLQQRFVTVRDNIH-BQYQJAHWSA-N -1 3 354.793 4.136 50 30 FIEAHM COc1cc(/C=C\C(=O)c2ccc(N3CCCC3)c(F)c2)cc(OC)c1[O-] ZINC000096765774 521982932 /nfs/dbraw/zinc/98/29/32/521982932.db2.gz TYMPNXPBLMVIHX-YVMONPNESA-N -1 3 371.408 4.045 50 30 FIEAHM Cc1cc(C)nc(N=C([N-]C(=O)NC2CCCCC2)Nc2ccccc2)n1 ZINC000018057411 524578441 /nfs/dbraw/zinc/57/84/41/524578441.db2.gz ZBFOWCXVMAECIL-UHFFFAOYSA-N -1 3 366.469 4.016 50 30 FIEAHM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C=Cc1c(F)cccc1F ZINC000147713986 525440300 /nfs/dbraw/zinc/44/03/00/525440300.db2.gz VSMVUBJFIOMHHI-FJVVXJACSA-N -1 3 364.351 4.360 50 30 FIEAHM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])C=Cc1c(F)cccc1F ZINC000147713986 525440311 /nfs/dbraw/zinc/44/03/11/525440311.db2.gz VSMVUBJFIOMHHI-FJVVXJACSA-N -1 3 364.351 4.360 50 30 FIEAHM CCCOC(=O)c1ccc(/N=C/c2cc(Br)ccc2[O-])cc1 ZINC000002131587 570514870 /nfs/dbraw/zinc/51/48/70/570514870.db2.gz PNEOCDJCBMWXOM-YBFXNURJSA-N -1 3 362.223 4.472 50 30 FIEAHM O=C([O-])c1cc(N=NC2CCN(Cc3ccccc3)CC2)ccc1Cl ZINC000004933423 570562345 /nfs/dbraw/zinc/56/23/45/570562345.db2.gz OTKRXPNNFDCFLY-UHFFFAOYSA-N -1 3 357.841 4.102 50 30 FIEAHM O=C([O-])CC1S/C(=N\N=C2CCCCCCC2)N(c2ccccc2)C1=O ZINC000004492377 570592442 /nfs/dbraw/zinc/59/24/42/570592442.db2.gz SUNHNCOUVBVRPZ-BSBNDGSWSA-N -1 3 373.478 4.066 50 30 FIEAHM O=C1C(=O)N(c2ccccn2)[C@@H](c2ccc(F)cc2)C1=C([O-])c1ccccc1 ZINC000005593781 570631588 /nfs/dbraw/zinc/63/15/88/570631588.db2.gz FVRYMKDHGYPBNP-IBGZPJMESA-N -1 3 374.371 4.004 50 30 FIEAHM O=C1C(=O)N(c2ccc(O)cc2)[C@@H](c2ccccc2)C1=C([O-])c1ccccc1 ZINC000005491456 570663468 /nfs/dbraw/zinc/66/34/68/570663468.db2.gz BYXCYOZKXQXYEV-FQEVSTJZSA-N -1 3 371.392 4.175 50 30 FIEAHM O=C(C1=C([O-])C(=O)N(c2ccc(O)cc2)[C@H]1c1ccccc1)c1ccccc1 ZINC000005491456 570663470 /nfs/dbraw/zinc/66/34/70/570663470.db2.gz BYXCYOZKXQXYEV-FQEVSTJZSA-N -1 3 371.392 4.175 50 30 FIEAHM O=C1c2ccc([O-])c(CN3CCCC3)c2O/C1=C\c1ccc(Cl)cc1 ZINC000004339730 570749727 /nfs/dbraw/zinc/74/97/27/570749727.db2.gz QBDJZJXJIWGCCJ-WQRHYEAKSA-N -1 3 355.821 4.258 50 30 FIEAHM C=CCn1c(SCCOc2ccccc2)nnc1-c1ccccc1[O-] ZINC000008391746 571044785 /nfs/dbraw/zinc/04/47/85/571044785.db2.gz FDGNOKSTZHZMMF-UHFFFAOYSA-N -1 3 353.447 4.008 50 30 FIEAHM COc1ccc(OC)c(N=Cc2cc(Br)cc(C)c2[O-])c1 ZINC000252626653 571190027 /nfs/dbraw/zinc/19/00/27/571190027.db2.gz RCURJPAEUBLHSI-UHFFFAOYSA-N -1 3 350.212 4.231 50 30 FIEAHM COc1ccc(-c2cc(C(=O)[N-]c3sc4c(c3C#N)CCC4)no2)cc1 ZINC000002465565 571211121 /nfs/dbraw/zinc/21/11/21/571211121.db2.gz JKWBKXHLKIHMPX-UHFFFAOYSA-N -1 3 365.414 4.024 50 30 FIEAHM C[C@@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3ccc(F)cc3)sc2C1 ZINC000000827131 219328245 /nfs/dbraw/zinc/32/82/45/219328245.db2.gz GFKXPMURZARDMG-SNVBAGLBSA-N -1 3 373.478 4.010 50 30 FIEAHM CC([O-])=C1C(=O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccc(C)cc1 ZINC000000846452 219329921 /nfs/dbraw/zinc/32/99/21/219329921.db2.gz GYCHJUWVOHWZAV-KRWDZBQOSA-N -1 3 364.426 4.094 50 30 FIEAHM C[C@@H]1CCCCN1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccs1)O2 ZINC000020503985 220331948 /nfs/dbraw/zinc/33/19/48/220331948.db2.gz VAGQRUHSUPTKRQ-NCUBORBFSA-N -1 3 355.459 4.444 50 30 biogenic FIEAHM Cc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ccccn2)cc1 ZINC000100136378 222236414 /nfs/dbraw/zinc/23/64/14/222236414.db2.gz RMCVKWXJZKBMDA-NHFXJNLRSA-N -1 3 370.408 4.016 50 30 FIEAHM Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccccn2)cc1 ZINC000100136378 222236417 /nfs/dbraw/zinc/23/64/17/222236417.db2.gz RMCVKWXJZKBMDA-NHFXJNLRSA-N -1 3 370.408 4.016 50 30 FIEAHM CC(C)c1ccc2c(c1)CCCN2C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000328595920 519840481 /nfs/dbraw/zinc/84/04/81/519840481.db2.gz KIUOQPFRSGPEBN-UHFFFAOYSA-N -1 3 363.417 4.267 50 30 FIEAHM CCOC(=O)c1c(C)nn(-c2ccc(/N=C\c3ccccc3[O-])cc2)c1C ZINC000020223891 521400393 /nfs/dbraw/zinc/40/03/93/521400393.db2.gz ZCBJTOFEJLJVBD-XKZIYDEJSA-N -1 3 363.417 4.122 50 30 FIEAHM CSc1ccc([C@@H]2[N-]c3nonc3N=C3CC(C)(C)CC(=O)C32)cc1 ZINC000012323165 568163040 /nfs/dbraw/zinc/16/30/40/568163040.db2.gz QMJJAWZNPONXKH-HNNXBMFYSA-N -1 3 356.451 4.013 50 30 FIEAHM [O-]c1ccccc1C(=NNc1ccccc1)c1cnn(-c2ccccc2)c1 ZINC000003887447 570570175 /nfs/dbraw/zinc/57/01/75/570570175.db2.gz RQZZULLFKBRHPR-YYDJUVGSSA-N -1 3 354.413 4.442 50 30 FIEAHM [O-]c1ccccc1/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000012466054 570748184 /nfs/dbraw/zinc/74/81/84/570748184.db2.gz ADUBFULRLIEADB-KOEQRZSOSA-N -1 3 369.468 4.114 50 30 FIEAHM O=C1C[C@H](c2ccccc2)CC2=Nc3nonc3[N-][C@@H](c3cccs3)C12 ZINC000040267177 571092336 /nfs/dbraw/zinc/09/23/36/571092336.db2.gz GBXYZFBNVDHXJQ-PXAZEXFGSA-N -1 3 364.430 4.111 50 30 FIEAHM O=C1C[C@@H](c2cccs2)CC2=Nc3nonc3[N-][C@H](c3ccccc3)C12 ZINC000012409230 571093606 /nfs/dbraw/zinc/09/36/06/571093606.db2.gz ALRHUGTWLUJUSP-YVEFUNNKSA-N -1 3 364.430 4.111 50 30 FIEAHM COc1ccc(C([O-])=Cc2nc3cc(Cl)c(Cl)cc3[nH]c2=O)cc1 ZINC000077024256 571205794 /nfs/dbraw/zinc/20/57/94/571205794.db2.gz VMYHYNQPZBGOLP-OVCLIPMQSA-N -1 3 363.200 4.133 50 30 FIEAHM O=C([O-])CC1SC(=NN=C2CCCCCCC2)N(c2ccccc2)C1=O ZINC000252628626 571289394 /nfs/dbraw/zinc/28/93/94/571289394.db2.gz SUNHNCOUVBVRPZ-MRXNPFEDSA-N -1 3 373.478 4.066 50 30 FIEAHM