smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1ccc(NCN2C(=O)/C(=C/c3cccc(Cl)c3)SC2=S)cc1 ZINC000003059551 557443832 /nfs/dbraw/zinc/44/38/32/557443832.db2.gz GNDLCDICYJUIGV-YBEGLDIGSA-N 0 0 418.927 4.397 10 10 HICERN N=C1/C(=C/c2ccc(-c3ccc(OC(F)(F)F)cc3)o2)C(=O)N=C2SC=NN21 ZINC000041074278 526835994 /nfs/dbraw/zinc/83/59/94/526835994.db2.gz QLLVWGLRERCXKN-UCUOYAASSA-N 0 0 406.345 4.094 10 10 HICERN CCOc1ccc(NCN2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 ZINC000005250302 557641823 /nfs/dbraw/zinc/64/18/23/557641823.db2.gz FAHSTDLZTHDRSF-GZTJUZNOSA-N 0 0 415.496 4.264 10 10 HICERN CCOc1ccc(NC(=O)[C@H](N=Nc2ccc(Cl)cc2[N+](=O)[O-])C(C)=O)cc1 ZINC000100045271 559129191 /nfs/dbraw/zinc/12/91/91/559129191.db2.gz ZCDDNAUHUZEVSJ-BFQBXFRASA-N 0 0 404.810 4.327 10 10 HICERN O=C(CCCN1C(=O)/C(=C\C=C/c2ccccc2)SC1=S)Nc1nccs1 ZINC000026779777 569056597 /nfs/dbraw/zinc/05/65/97/569056597.db2.gz AYWOBKVQNZWUBG-OMKZRXKCSA-N 0 0 415.565 4.319 10 10 HICERN COc1ccccc1OCCCOc1cccc(/C=C2\SC(=S)N(C)C2=O)c1 ZINC000033430041 559192266 /nfs/dbraw/zinc/19/22/66/559192266.db2.gz XIYXJKSDZVXVBW-RGEXLXHISA-N 0 0 415.536 4.374 10 10 HICERN CCc1ccc(/C=C2/C(=N)N3N=C(COc4cccc(C)c4)SC3=NC2=O)cc1 ZINC000033457398 559194130 /nfs/dbraw/zinc/19/41/30/559194130.db2.gz MVCKZQBMNOSLKR-PBOWYIGHSA-N 0 0 404.495 4.256 10 10 HICERN Cc1cc(/C=C2/C(=N)N3C(C)=CSC3=NC2=O)c(C)n1-c1cc([N+](=O)[O-])ccc1C ZINC000102640553 560819688 /nfs/dbraw/zinc/81/96/88/560819688.db2.gz GAPFTJLFMJAZMC-ZAZHNTPTSA-N 0 0 421.482 4.478 10 10 HICERN CC(C)c1ccc(C(=O)Oc2ccc(/C=C3\C(=O)N=C4SC=NN4C3=N)cc2)cc1 ZINC000012382939 568632080 /nfs/dbraw/zinc/63/20/80/568632080.db2.gz FTBXYYXQVHKCSI-OOEDSJJISA-N 0 0 418.478 4.278 10 10 HICERN N=C1/C(=C/c2ccc(O)cc2)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN21 ZINC000041076317 526837227 /nfs/dbraw/zinc/83/72/27/526837227.db2.gz JBDLHADBDUSJIF-NIWWFUJCSA-N 0 0 406.511 4.228 10 10 HICERN O=C1NC(=S)N(C2CCCCC2)C(=O)C1=Cc1cc2c3c(c1)CCCN3CCC2 ZINC000001240188 132243194 /nfs/dbraw/zinc/24/31/94/132243194.db2.gz ANUFOJGBRTYYGA-XMHGGMMESA-N 0 0 409.555 4.185 10 10 HICERN CC1=CC2=NC(=O)/C(=C/c3cccn3CCCOc3ccccc3Cl)C(=N)N2O1 ZINC000041078257 520854366 /nfs/dbraw/zinc/85/43/66/520854366.db2.gz RXZBSUHQMYTIQN-SLEBJCFXSA-N 0 0 410.861 4.061 10 10 HICERN CC1=CN2C(=NC(=O)/C(=C\c3cccn3CCOc3ccccc3Cl)C2=N)S1 ZINC000041083715 520875729 /nfs/dbraw/zinc/87/57/29/520875729.db2.gz OILZHXRGSLXYDE-AXPJIBDUSA-N 0 0 412.902 4.387 10 10 HICERN CC1=CC2=NC(=O)/C(=C/c3ccc(OC(=O)c4ccccc4)c(Cl)c3)C(=N)N2O1 ZINC000041078403 520852506 /nfs/dbraw/zinc/85/25/06/520852506.db2.gz FSAJIUUJQGEKJY-DXIKEOKKSA-N 0 0 407.813 4.010 10 10 HICERN CC1=CC2=NC(=O)/C(=C/c3cccn3CCOc3ccccc3C(C)C)C(=N)N2O1 ZINC000041078265 520853868 /nfs/dbraw/zinc/85/38/68/520853868.db2.gz QOVLDRKMOPSDAS-KDFQCDEHSA-N 0 0 404.470 4.141 10 10 HICERN CSC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccccc4C)c3C)C2=N)S1 ZINC000035362960 569033729 /nfs/dbraw/zinc/03/37/29/569033729.db2.gz LQVVIAVWUDOCIN-SRRKIXIOSA-N 0 0 409.540 4.342 10 10 HICERN CCCc1nn2c(/C=C3\SC(=S)N(C)C3=O)c(-c3ccccc3)nc2s1 ZINC000041074254 521556454 /nfs/dbraw/zinc/55/64/54/521556454.db2.gz IEKKQABARKUJJY-RAXLEYEMSA-N 0 0 400.554 4.241 10 10 HICERN Cc1cccc(C)c1-n1cccc1/C=C1/C(=N)N2N=C(c3ccco3)SC2=NC1=O ZINC000041076744 524242335 /nfs/dbraw/zinc/24/23/35/524242335.db2.gz LPXRTFPRJXXNSX-OMLAYDHKSA-N 0 0 415.478 4.355 10 10 HICERN O=C(CN1C(=O)/C(=C\c2ccccc2)SC1=S)N1CCCC[C@H]1c1cccnc1 ZINC000033582932 559215523 /nfs/dbraw/zinc/21/55/23/559215523.db2.gz IAWKQLIPSWLIRH-DYGKOUCMSA-N 0 0 423.563 4.037 10 10 HICERN Cc1c(CC(=O)OC(C)C)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccccc1 ZINC000045387120 525695917 /nfs/dbraw/zinc/69/59/17/525695917.db2.gz IQNNMEXCEJZRBG-UHFFFAOYSA-N 0 0 411.523 4.350 10 10 HICERN Cc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)cc1 ZINC000041076743 525911769 /nfs/dbraw/zinc/91/17/69/525911769.db2.gz IBMRCYPEIWVKBK-DXGGMCDASA-N 0 0 401.451 4.046 10 10 HICERN CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1ccccc1C ZINC000041078368 520627588 /nfs/dbraw/zinc/62/75/88/520627588.db2.gz KZVRAQHBOMNNCM-ZGKGBVRBSA-N 0 0 417.465 4.423 10 10 HICERN CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1ccccc1 ZINC000041078370 520627165 /nfs/dbraw/zinc/62/71/65/520627165.db2.gz ZLIHWISEUQFMHI-RFWMEDTCSA-N 0 0 403.438 4.115 10 10 HICERN CC1=CC2=NC(=O)/C(=C/c3cccn3CCCOc3cc(C)cc(C)c3)C(=N)N2O1 ZINC000041078258 520853682 /nfs/dbraw/zinc/85/36/82/520853682.db2.gz REBNYWRFOJYAHR-KAWQFOENSA-N 0 0 404.470 4.024 10 10 HICERN Cc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c(C)n1-c1ccccc1 ZINC000041076286 526082761 /nfs/dbraw/zinc/08/27/61/526082761.db2.gz YOJJQUIOAWOYEC-GTYZCHSMSA-N 0 0 417.416 4.276 10 10 HICERN CC1=CC2=NC(=O)/C(=C/c3ccc(OCCCOc4cccc(C)c4)cc3)C(=N)N2O1 ZINC000041082687 520852481 /nfs/dbraw/zinc/85/24/81/520852481.db2.gz LMHCOEOWKNXWSN-PYYWQZPNSA-N 0 0 417.465 4.293 10 10 HICERN CC1=CC2=NC(=O)/C(=C/c3ccc(OC(=O)c4cccc(C)c4)c(Cl)c3)C(=N)N2O1 ZINC000041078407 520852491 /nfs/dbraw/zinc/85/24/91/520852491.db2.gz KHCWSGDVBNGGNC-HCNNPVLLSA-N 0 0 421.840 4.318 10 10 HICERN CC1=CC2=NC(=O)/C(=C/c3ccc(OCCSc4ccccc4)cc3)C(=N)N2O1 ZINC000041078459 520854194 /nfs/dbraw/zinc/85/41/94/520854194.db2.gz CVXRBGOJDVOEJU-QLDKJHNESA-N 0 0 405.479 4.308 10 10 HICERN CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2F)C(=O)Nc2cccc(F)c2)cc1 ZINC000027521125 569328047 /nfs/dbraw/zinc/32/80/47/569328047.db2.gz XYUAXVXPSVHSPW-HMAPJEAMSA-N 0 0 421.447 4.440 10 10 HICERN CCCc1nn2c(/C=C3\SC(=S)NC3=O)c(-c3ccc(C)cc3)nc2s1 ZINC000041074266 521556927 /nfs/dbraw/zinc/55/69/27/521556927.db2.gz WYKYBELINDRGTD-LCYFTJDESA-N 0 0 400.554 4.208 10 10 HICERN COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1cccc(C)c1 ZINC000041078337 521959395 /nfs/dbraw/zinc/95/93/95/521959395.db2.gz RGYJPOLCZCYXSX-YMAFSPHPSA-N 0 0 403.438 4.033 10 10 HICERN N=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)C(=O)N=C2SC=CN21 ZINC000041074312 526838295 /nfs/dbraw/zinc/83/82/95/526838295.db2.gz RPPSARDIYJGNSO-HXBSJJRASA-N 0 0 403.492 4.378 10 10 HICERN CCOc1ccc(NC(=O)[C@@H](N=Nc2ccc(Cl)cc2[N+](=O)[O-])C(C)=O)cc1 ZINC000100045275 559129216 /nfs/dbraw/zinc/12/92/16/559129216.db2.gz ZCDDNAUHUZEVSJ-SIUCFOQUSA-N 0 0 404.810 4.327 10 10 HICERN O[C@@H](c1ccc2c(c1)CN(Cc1ccc(N3CCCC3)cc1)CCO2)c1ccccn1 ZINC000011785917 559259340 /nfs/dbraw/zinc/25/93/40/559259340.db2.gz HGPQOLMFBJWDJY-SANMLTNESA-N 0 0 415.537 4.158 10 10 HICERN CC1=CC2=NC(=O)/C(=C/c3ccc(OCCOc4ccccc4)c(Cl)c3)C(=N)N2O1 ZINC000041078479 520853878 /nfs/dbraw/zinc/85/38/78/520853878.db2.gz OAGWDMOWPIJHGT-WMUNWQNWSA-N 0 0 423.856 4.248 10 10 HICERN CC1=CC2=NC(=O)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)C(=N)N2O1 ZINC000041078276 520854447 /nfs/dbraw/zinc/85/44/47/520854447.db2.gz WDHAAHJFNLLLPG-CAPQHAMJSA-N 0 0 400.413 4.279 10 10 HICERN COc1ccccc1C(=O)NN1C(=O)/C(=C/C(C)=C\c2ccccc2)SC1=S ZINC000026779796 569056604 /nfs/dbraw/zinc/05/66/04/569056604.db2.gz RHKWWHLXAQVPSQ-REFMDLPBSA-N 0 0 410.520 4.188 10 10 HICERN CSC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccccc4F)c3C)C2=N)S1 ZINC000041083568 525344332 /nfs/dbraw/zinc/34/43/32/525344332.db2.gz HEECFYQGJFSSFQ-XCGHDDSDSA-N 0 0 413.503 4.173 10 10 HICERN CC1=CC2=NC(=O)/C(=C/c3cccn3CCCOc3ccc(C)cc3C)C(=N)N2O1 ZINC000041078259 520855118 /nfs/dbraw/zinc/85/51/18/520855118.db2.gz QOOMQVIDXAMOEU-KDFQCDEHSA-N 0 0 404.470 4.024 10 10 HICERN COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1ccc(C)cc1 ZINC000041078330 521958971 /nfs/dbraw/zinc/95/89/71/521958971.db2.gz VMCBIFSQSQLXQH-YMAFSPHPSA-N 0 0 403.438 4.033 10 10 HICERN COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1ccccc1C ZINC000041078334 521960037 /nfs/dbraw/zinc/96/00/37/521960037.db2.gz CFWYGBVJPHDLNU-YMAFSPHPSA-N 0 0 403.438 4.033 10 10 HICERN N=C1/C(=C/c2cccn2-c2cccc(F)c2)C(=O)N=C2SC(c3cccs3)=NN21 ZINC000041108186 526837029 /nfs/dbraw/zinc/83/70/29/526837029.db2.gz WGCKLJLRVPOUGB-OTLVRQKTSA-N 0 0 421.482 4.345 10 10 HICERN CC1=CSC2=NC(=O)/C(=C\c3cccc(OC(=O)c4ccccc4F)c3)C(=N)N12 ZINC000103563548 560843329 /nfs/dbraw/zinc/84/33/29/560843329.db2.gz SFKONSATPNWPQG-BWFWVIOXSA-N 0 0 407.426 4.212 10 10 HICERN CN1c2ccccc2C(C)(C)/C1=C\C=C1\C(=N)N2N=C(C(F)(F)F)SC2=NC1=O ZINC000102470180 568418064 /nfs/dbraw/zinc/41/80/64/568418064.db2.gz OKEAOJVBVHHQCE-XTCKPQGMSA-N 0 0 419.432 4.022 10 10 HICERN CCCCC1=NN2C(=NC(=O)/C(=C\c3cccn3-c3ccc([N+](=O)[O-])cc3)C2=N)S1 ZINC000041082849 519917477 /nfs/dbraw/zinc/91/74/77/519917477.db2.gz KHIYGSUHHOLNLI-MWSJVPHRSA-N 0 0 422.470 4.195 10 10 HICERN CC1=CC2=NC(=O)/C(=C/c3ccc(OCCCOc4ccccc4C)cc3)C(=N)N2O1 ZINC000041082673 520852920 /nfs/dbraw/zinc/85/29/20/520852920.db2.gz SMUMCUOYHRFTKF-HYNSQCECSA-N 0 0 417.465 4.293 10 10 HICERN CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1ccc(F)cc1 ZINC000041078367 520627349 /nfs/dbraw/zinc/62/73/49/520627349.db2.gz QYEAAVGIKCQYCJ-CAPQHAMJSA-N 0 0 421.428 4.254 10 10 HICERN CC1=NN2C(=NC(=O)/C(=C\c3cccn3-c3ccc(Cl)c(Cl)c3)C2=N)S1 ZINC000013280868 569254655 /nfs/dbraw/zinc/25/46/55/569254655.db2.gz VVUCUXJHBVVDIX-AYYHGXMZSA-N 0 0 404.282 4.423 10 10 HICERN CC(C)CC1=NN2C(=NC(=O)/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C2=N)S1 ZINC000041082931 519631756 /nfs/dbraw/zinc/63/17/56/519631756.db2.gz CDYJFUKGHBPYRL-ALGNWURXSA-N 0 0 422.470 4.051 10 10 HICERN CCCC1=NN2C(=NC(=O)/C(=C\c3cccn3-c3ccc([N+](=O)[O-])cc3C)C2=N)S1 ZINC000041083360 519895487 /nfs/dbraw/zinc/89/54/87/519895487.db2.gz FTLKUZDXHLJCNH-HXBSJJRASA-N 0 0 422.470 4.113 10 10 HICERN Cc1cc(/C=C2/C(=N)N3N=CSC3=NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000041076641 526087069 /nfs/dbraw/zinc/08/70/69/526087069.db2.gz XJMDGXJHKPVFMX-BUCCSSIESA-N 0 0 417.416 4.362 10 10 HICERN CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1cccc(C)c1 ZINC000041078363 520626694 /nfs/dbraw/zinc/62/66/94/520626694.db2.gz SKQYOIGDCVIQSG-ZGKGBVRBSA-N 0 0 417.465 4.423 10 10 HICERN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)o1 ZINC000041083263 526066362 /nfs/dbraw/zinc/06/63/62/526066362.db2.gz RALCHXJRBLKXOH-ATNGQLTKSA-N 0 0 423.454 4.438 10 10 HICERN CSC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(Cc4ccccc4)c3C)C2=N)S1 ZINC000034746339 557455556 /nfs/dbraw/zinc/45/55/56/557455556.db2.gz FVNRVQKBBBHKEU-QNMDCZIWSA-N 0 0 409.540 4.093 10 10 HICERN O[C@H](c1ccc2c(c1)CN(Cc1ccc(N3CCCC3)cc1)CCO2)c1ccccn1 ZINC000011785918 559259316 /nfs/dbraw/zinc/25/93/16/559259316.db2.gz HGPQOLMFBJWDJY-AREMUKBSSA-N 0 0 415.537 4.158 10 10 HICERN COc1cc(/C=C2/C(=N)N3C(c4ccccc4Cl)=CSC3=NC2=O)ccc1O ZINC000041083630 521943536 /nfs/dbraw/zinc/94/35/36/521943536.db2.gz ICRFREUICOVOGH-AZHHITDESA-N 0 0 411.870 4.358 10 10 HICERN O=C1NN(c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000041074161 527082712 /nfs/dbraw/zinc/08/27/12/527082712.db2.gz PZODLEBLDJIUCH-XMHGGMMESA-N 0 0 412.474 4.062 10 10 HICERN CC1=CC2=NC(=O)/C(=C\c3c(-c4ccc(Cl)cc4)nc4sccn34)C(=N)N2O1 ZINC000033513455 559202190 /nfs/dbraw/zinc/20/21/90/559202190.db2.gz LQUVDIMWUBNQQC-JBTBNTSXSA-N 0 0 409.858 4.167 10 10 HICERN CC1=CC2=NC(=O)/C(=C/c3ccc(OC(=O)c4ccc(C)cc4)c(Cl)c3)C(=N)N2O1 ZINC000041078449 520851249 /nfs/dbraw/zinc/85/12/49/520851249.db2.gz IMTWPGQWOJTTKL-HCNNPVLLSA-N 0 0 421.840 4.318 10 10 HICERN CC1=CC2=NC(=O)/C(=C/c3ccc(OCCOc4ccc(C)c(C)c4)cc3)C(=N)N2O1 ZINC000041078461 520852516 /nfs/dbraw/zinc/85/25/16/520852516.db2.gz VBISQLRLIQXFOU-IYLIDVPDSA-N 0 0 417.465 4.212 10 10 HICERN COc1ccccc1/C=C1/C(=N)N2N=C(SCc3ccccc3)SC2=NC1=O ZINC000041076652 524321661 /nfs/dbraw/zinc/32/16/61/524321661.db2.gz TZQQJRKAVOJLFW-WSYITQDSSA-N 0 0 408.508 4.205 10 10 HICERN CCCC1=NN2C(=NC(=O)/C(=C\c3cccn3-c3ccc(OCC)cc3)C2=N)S1 ZINC000013280937 569254643 /nfs/dbraw/zinc/25/46/43/569254643.db2.gz FGCZFYFDWVZGTL-MWQVBJQISA-N 0 0 407.499 4.295 10 10 HICERN CC1=CC2=NC(=O)/C(=C/c3ccc(OCCOc4cc(C)ccc4C)cc3)C(=N)N2O1 ZINC000041078463 520852039 /nfs/dbraw/zinc/85/20/39/520852039.db2.gz NARSNZZTPQLKMM-SKYIDQJDSA-N 0 0 417.465 4.212 10 10 HICERN CC1=CC2=NC(=O)/C(=C/c3ccc(OCCOc4ccc(C)cc4C)cc3)C(=N)N2O1 ZINC000041078468 520852314 /nfs/dbraw/zinc/85/23/14/520852314.db2.gz SUOBHCGNQJNSHI-SKYIDQJDSA-N 0 0 417.465 4.212 10 10 HICERN CC1=CC2=NC(=O)/C(=C/c3ccc(OCCCOc4ccc(C)cc4)cc3)C(=N)N2O1 ZINC000041082664 520852602 /nfs/dbraw/zinc/85/26/02/520852602.db2.gz QWNQWOLXHYXDQK-PYYWQZPNSA-N 0 0 417.465 4.293 10 10 HICERN COc1ccc(OCCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)cc1 ZINC000033430444 559192280 /nfs/dbraw/zinc/19/22/80/559192280.db2.gz CPJUSMOPYIMOBU-RGEXLXHISA-N 0 0 415.536 4.374 10 10 HICERN N=C1/C(=C/c2cc3ccccc3nc2Cl)C(=O)N=C2SC(C(F)(F)F)=NN21 ZINC000041108521 526836161 /nfs/dbraw/zinc/83/61/61/526836161.db2.gz GVXAUBMDCPZNEA-FOUGDTDFSA-N 0 0 409.780 4.070 10 10 HICERN O=C(CCCN1C(=O)/C(=C\C=C/c2ccccc2)SC1=S)Nc1ccccn1 ZINC000026779778 569056620 /nfs/dbraw/zinc/05/66/20/569056620.db2.gz DIKYGZKRMFGOEB-UPWDGHCPSA-N 0 0 409.536 4.258 10 10 HICERN CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1ccccc1F ZINC000041078369 520626571 /nfs/dbraw/zinc/62/65/71/520626571.db2.gz KHBWGRKJDXVBQZ-SYFPEYOMSA-N 0 0 421.428 4.254 10 10 HICERN CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1ccc(C)cc1 ZINC000041078372 520626626 /nfs/dbraw/zinc/62/66/26/520626626.db2.gz UXRRVPYWSCFKME-ZGKGBVRBSA-N 0 0 417.465 4.423 10 10 HICERN Cc1cc(C)cc(-n2cccc2/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c1 ZINC000041076306 524358917 /nfs/dbraw/zinc/35/89/17/524358917.db2.gz FTNJTPCXJHDQHQ-GTYZCHSMSA-N 0 0 417.416 4.276 10 10 HICERN CC1=CC2=NC(=O)/C(=C/c3ccc(OC(=O)c4cccs4)c(Cl)c3)C(=N)N2O1 ZINC000041078380 520852086 /nfs/dbraw/zinc/85/20/86/520852086.db2.gz PJGKHXQVAGAUQG-FHJHWHQUSA-N 0 0 413.842 4.071 10 10 HICERN O=C1NN(c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000041074157 527082173 /nfs/dbraw/zinc/08/21/73/527082173.db2.gz CZIMKWZVUYKVST-CJLVFECKSA-N 0 0 406.445 4.001 10 10 HICERN CCN1c2ccc(S(=O)(=O)Nc3ccc(O)c4ccccc34)c3cccc(c23)C1=O ZINC000008870447 571130272 /nfs/dbraw/zinc/13/02/72/571130272.db2.gz WSECUMMJSJEJAF-UHFFFAOYSA-N 0 0 418.474 4.480 10 10 HICERN CC1=CC2=NC(=O)/C(=C/c3cccn3CCCOc3c(C)cccc3C)C(=N)N2O1 ZINC000041078260 520854004 /nfs/dbraw/zinc/85/40/04/520854004.db2.gz WECCXVKSFJLFBS-KDFQCDEHSA-N 0 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CC1=CC2=NC(=O)/C(=C/c3cccn3CCCOc3ccc(Cl)cc3)C(=N)N2O1 ZINC000041078263 520853770 /nfs/dbraw/zinc/85/37/70/520853770.db2.gz UBADDTXBZIHGJD-KFGVSYDZSA-N 0 0 410.861 4.061 10 10 HICERN CC1=CC2=NC(=O)/C(=C/c3ccc(OCCOc4ccccc4Cl)cc3)C(=N)N2O1 ZINC000041078467 520855040 /nfs/dbraw/zinc/85/50/40/520855040.db2.gz STYAARWDZLDJBI-DZLJMLGJSA-N 0 0 423.856 4.248 10 10 HICERN CC1=NN2C(=NC(=O)/C(=C\c3cccn3-c3cc(Cl)cc(Cl)c3)C2=N)S1 ZINC000041108064 520900364 /nfs/dbraw/zinc/90/03/64/520900364.db2.gz CIURPJRAJXSGRO-KQJGBYIASA-N 0 0 404.282 4.423 10 10 HICERN COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000041078339 521959536 /nfs/dbraw/zinc/95/95/36/521959536.db2.gz JRWDEYZWOQDEEZ-LMMXRSGHSA-N 0 0 423.856 4.378 10 10 HICERN COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1ccccc1Cl ZINC000041078333 521960523 /nfs/dbraw/zinc/96/05/23/521960523.db2.gz VBLSBYNBJVTTHH-YCCRBMFLSA-N 0 0 423.856 4.378 10 10 HICERN N=C1/C(=C/c2ccc(SCc3ccco3)o2)C(=O)N=C2SC(c3ccco3)=NN21 ZINC000041076726 526837396 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0 0 423.563 4.037 10 10 HICERN