smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cc([N+](=O)[O-])cc(/C=C2/SC(=S)N(C)C2=O)c1O ZINC000027496644 202154660 /nfs/dbraw/zinc/15/46/60/202154660.db2.gz RGCITLDCUZLGJV-BJMVGYQFSA-N 0 1 340.382 2.530 40 10 EFCBMN Cc1nc2c(ncnc2N2CC=C(c3c[nH]c4ncccc34)CC2)[nH]1 ZINC000072240938 202357468 /nfs/dbraw/zinc/35/74/68/202357468.db2.gz ZCAPNRVPNTXEMN-UHFFFAOYSA-N 0 1 331.383 2.831 40 10 EFCBMN Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1C1CCCCC1 ZINC000000257946 206222857 /nfs/dbraw/zinc/22/28/57/206222857.db2.gz FFNJEHIGASESHJ-GDNBJRDFSA-N 0 1 329.400 2.702 40 10 EFCBMN Cc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)o1 ZINC000000502553 206236838 /nfs/dbraw/zinc/23/68/38/206236838.db2.gz WDONBDOGYNMDAI-UKTHLTGXSA-N 0 1 326.377 2.728 40 10 EFCBMN O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C\c1c[nH]c2ccccc12 ZINC000004660860 275021618 /nfs/dbraw/zinc/02/16/18/275021618.db2.gz GKJXQRXAJNPUKI-YBEGLDIGSA-N 0 1 345.358 2.830 40 10 biogenic EFCBMN Cc1ccc(N2NC(=O)/C(=C/c3ccc(O)c(O)c3)C2=O)cc1Cl ZINC000005547186 471510133 /nfs/dbraw/zinc/51/01/33/471510133.db2.gz RRNIVGIUEPNEJC-SDQBBNPISA-N 0 1 344.754 2.521 40 10 EFCBMN Cc1ccc(O)c(C[N@@H+]2CCc3nc(-c4cccnc4)[n-]c(=O)c3C2)c1 ZINC000012122134 471764680 /nfs/dbraw/zinc/76/46/80/471764680.db2.gz SAZDHSAIMVFWAX-UHFFFAOYSA-N 0 1 348.406 2.817 40 10 EFCBMN Cc1ccc(O)c(C[N@H+]2CCc3nc(-c4cccnc4)[n-]c(=O)c3C2)c1 ZINC000012122134 471764688 /nfs/dbraw/zinc/76/46/88/471764688.db2.gz SAZDHSAIMVFWAX-UHFFFAOYSA-N 0 1 348.406 2.817 40 10 EFCBMN COc1cc(S(=O)(=O)Nc2ccc(O)cc2C(C)=O)ccc1F ZINC000390833506 476804985 /nfs/dbraw/zinc/80/49/85/476804985.db2.gz IMQJTPXZCOQWPG-UHFFFAOYSA-N 0 1 339.344 2.543 40 10 EFCBMN CCCOc1c(Cl)cc(Cl)cc1C=C1C(=O)NC(=O)NC1=O ZINC000409044265 476977113 /nfs/dbraw/zinc/97/71/13/476977113.db2.gz VBPFLXVHNCKQGE-UHFFFAOYSA-N 0 1 343.166 2.532 40 10 EFCBMN Cc1ccc(N2C(=O)/C(=C/c3ccco3)C(=O)NC2=S)c(C)c1 ZINC000409139323 476978393 /nfs/dbraw/zinc/97/83/93/476978393.db2.gz MXSJQJUCTCOQGK-UKTHLTGXSA-N 0 1 326.377 2.728 40 10 EFCBMN Cc1cccc(N2CCN(Cc3cc4c(cc3O)OCO4)CC2)c1 ZINC000028788122 524558189 /nfs/dbraw/zinc/55/81/89/524558189.db2.gz MAGHHQHGKNHDOA-UHFFFAOYSA-N 0 1 326.396 2.752 40 10 EFCBMN Cc1cc(C)nc(SC[C@@H]2CN[C@H](c3ccc(N(C)C)cc3)O2)n1 ZINC000055212178 214290047 /nfs/dbraw/zinc/29/00/47/214290047.db2.gz YKMGPLLJVCPUMA-IRXDYDNUSA-N 0 1 344.484 2.939 40 10 EFCBMN COc1cccc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)c1O ZINC000000048782 209389727 /nfs/dbraw/zinc/38/97/27/209389727.db2.gz XVVROJGKYJFUPK-MDWZMJQESA-N 0 1 344.754 2.516 40 10 EFCBMN COc1ccc(-n2cccc2C=C2C(=O)NC(=O)NC2=O)cc1Cl ZINC000020210138 212112637 /nfs/dbraw/zinc/11/26/37/212112637.db2.gz GSLOUHIRKLQWQE-UHFFFAOYSA-N 0 1 345.742 2.729 40 10 EFCBMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1SC(=S)N(C)C1=O ZINC000006921060 210744269 /nfs/dbraw/zinc/74/42/69/210744269.db2.gz ADSZPGYXSLKNEG-XYOKQWHBSA-N 0 1 331.422 2.717 40 10 EFCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)cs1 ZINC000033779749 471986660 /nfs/dbraw/zinc/98/66/60/471986660.db2.gz KJNOHGHHUMFJCG-GHXNOFRVSA-N 0 1 349.209 2.972 40 10 EFCBMN CCCCN1C(=O)NC(=O)C(=CN[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)C1=O ZINC000033849471 471987074 /nfs/dbraw/zinc/98/70/74/471987074.db2.gz CZDQBOZKBPDLHX-KOMDYEAUSA-N 0 1 347.459 2.553 40 10 EFCBMN CCOc1ccc(-n2c(C)cc(/C=C3\NC(=O)NC3=O)c2C)cc1 ZINC000408819371 476973900 /nfs/dbraw/zinc/97/39/00/476973900.db2.gz RPFQXTTUQRAJJZ-YBEGLDIGSA-N 0 1 325.368 2.673 40 10 EFCBMN O=C(NN1C(=O)/C(=C\c2ccncc2)SC1=S)c1cccs1 ZINC000409352236 476982745 /nfs/dbraw/zinc/98/27/45/476982745.db2.gz WUXSYXRSKNCOAS-DHZHZOJOSA-N 0 1 347.446 2.689 40 10 EFCBMN O=C1NC(=O)N(CCC2=CCCCC2)C(=O)C1=CNN1CCCCC1 ZINC000001271164 1094439337 /nfs/dbraw/zinc/43/93/37/1094439337.db2.gz LVICXXJTYPZJFH-FYWRMAATSA-N 0 1 346.431 2.670 40 10 EFCBMN Cc1cc(C)nc(SC[C@H]2CN[C@@H](c3ccc(N(C)C)cc3)O2)n1 ZINC000055212181 214289886 /nfs/dbraw/zinc/28/98/86/214289886.db2.gz YKMGPLLJVCPUMA-IAGOWNOFSA-N 0 1 344.484 2.939 40 10 EFCBMN CCN1C(=O)/C(=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)SC1=S ZINC000035073638 213007380 /nfs/dbraw/zinc/00/73/80/213007380.db2.gz FHQPWGMNBBZSSU-POHAHGRESA-N 0 1 340.382 2.530 40 10 EFCBMN COc1ccc(N2C(=O)C(=Cc3ccco3)C(=O)NC2=S)cc1 ZINC000000314020 286323516 /nfs/dbraw/zinc/32/35/16/286323516.db2.gz NAAKIKHAHVUSCG-UKTHLTGXSA-N 0 1 328.349 2.960 40 10 EFCBMN Cc1cccc(N2C(=O)/C(=C/c3ccoc3)C(=O)NC2=S)c1C ZINC000409136730 301997203 /nfs/dbraw/zinc/99/72/03/301997203.db2.gz UVNHLDKDLPWSES-MDWZMJQESA-N 0 1 326.377 2.728 40 10 EFCBMN COCc1ccccc1S(=O)(=O)Nc1ccc(O)cc1C(C)=O ZINC000390834342 476804630 /nfs/dbraw/zinc/80/46/30/476804630.db2.gz WRRMJACTBIQXEO-UHFFFAOYSA-N 0 1 335.381 2.542 40 10 EFCBMN COc1ccc(N2C(=O)/C(=C\c3ccccc3)C(=O)NC2=S)cc1 ZINC000408758727 476973972 /nfs/dbraw/zinc/97/39/72/476973972.db2.gz PWKOPHSQEYBIIY-PTNGSMBKSA-N 0 1 338.388 2.527 40 10 EFCBMN COc1cccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1 ZINC000408874442 476974334 /nfs/dbraw/zinc/97/43/34/476974334.db2.gz BLPNDNDNAUPTAO-PTNGSMBKSA-N 0 1 338.388 2.527 40 10 EFCBMN COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl ZINC000409403604 476982761 /nfs/dbraw/zinc/98/27/61/476982761.db2.gz AEYNCZHFIWGBOA-LCYFTJDESA-N 0 1 328.755 2.810 40 10 EFCBMN Cc1cc(C)nc(SC[C@@H]2CN[C@@H](c3ccc(N(C)C)cc3)O2)n1 ZINC000055212180 214290316 /nfs/dbraw/zinc/29/03/16/214290316.db2.gz YKMGPLLJVCPUMA-DLBZAZTESA-N 0 1 344.484 2.939 40 10 EFCBMN CCN(CC)CCOc1cccc2c1C(=O)c1c(O)cccc1C2=O ZINC000004783342 210277109 /nfs/dbraw/zinc/27/71/09/210277109.db2.gz YYONKABVTKIICL-UHFFFAOYSA-N 0 1 339.391 2.888 40 10 EFCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3ccco3)C(=O)NC2=S)c1 ZINC000409237008 292084151 /nfs/dbraw/zinc/08/41/51/292084151.db2.gz ULZBYRSSDDFNHW-UKTHLTGXSA-N 0 1 326.377 2.728 40 10 EFCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccncc3)C(=O)NC2=S)c1 ZINC000408820938 301225510 /nfs/dbraw/zinc/22/55/10/301225510.db2.gz AQSGIKSXAKQXPK-XNTDXEJSSA-N 0 1 337.404 2.530 40 10 EFCBMN COc1ccc(-c2nc(COc3ccc(N)cc3)n[nH]2)cc1OC ZINC000062719616 472747191 /nfs/dbraw/zinc/74/71/91/472747191.db2.gz BJYHNIUCZUHSMO-UHFFFAOYSA-N 0 1 326.356 2.650 40 10 EFCBMN Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000408965024 476975110 /nfs/dbraw/zinc/97/51/10/476975110.db2.gz FRZBWMSLVQFNEH-LICLKQGHSA-N 0 1 332.363 2.823 40 10 EFCBMN O=C(NN1C(=O)/C(=C\c2ccc[nH]2)SC1=S)c1cccs1 ZINC000409331277 718243923 /nfs/dbraw/zinc/24/39/23/718243923.db2.gz NPCSOKTYOSORKB-JXMROGBWSA-N 0 1 335.435 2.622 40 10 EFCBMN CCN(CC)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000078605563 202397057 /nfs/dbraw/zinc/39/70/57/202397057.db2.gz TYRNIBPALMFPRV-UHFFFAOYSA-N 0 1 336.455 2.519 40 10 EFCBMN O=C1NN(c2ccccc2)C(=O)/C1=C/C=C/c1cccc([N+](=O)[O-])c1 ZINC000000332066 471347919 /nfs/dbraw/zinc/34/79/19/471347919.db2.gz KHNBUAMZCRRQDT-LLPGWTFISA-N 0 1 335.319 2.612 40 10 EFCBMN COc1ccccc1/C=C1\C(=O)NN(c2cccc(Cl)c2)C1=O ZINC000000344832 471349653 /nfs/dbraw/zinc/34/96/53/471349653.db2.gz PYISUPVLZTXYCG-NTEUORMPSA-N 0 1 328.755 2.810 40 10 EFCBMN Cc1cc(C)nc(SC[C@H]2CN[C@H](c3ccc(N(C)C)cc3)O2)n1 ZINC000055212179 472153319 /nfs/dbraw/zinc/15/33/19/472153319.db2.gz YKMGPLLJVCPUMA-SJORKVTESA-N 0 1 344.484 2.939 40 10 EFCBMN CN1CCN(c2ccc(CNC(=O)NC3CCCCC3)cc2)CC1 ZINC000049740649 472962014 /nfs/dbraw/zinc/96/20/14/472962014.db2.gz SGCPWQLDSUKXLR-UHFFFAOYSA-N 0 1 330.476 2.570 40 10 EFCBMN C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C([O-])=C[N+]#N ZINC000307719058 474814654 /nfs/dbraw/zinc/81/46/54/474814654.db2.gz MGOXETIYWQKLEA-GFCCVEGCSA-N 0 1 335.363 2.783 40 10 EFCBMN Cc1cc(C)cc(Cc2ccccc2C=C2C(=O)NC(=O)NC2=O)c1 ZINC000408876174 476973369 /nfs/dbraw/zinc/97/33/69/476973369.db2.gz JRTSDMHUPBMTSZ-UHFFFAOYSA-N 0 1 334.375 2.644 40 10 EFCBMN Cc1c(Cl)cccc1-c1ccc(C=C2C(=O)NC(=O)NC2=O)o1 ZINC000408976873 476975792 /nfs/dbraw/zinc/97/57/92/476975792.db2.gz UNDIAWPMPSMCRE-UHFFFAOYSA-N 0 1 330.727 2.658 40 10 EFCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(Cl)cc1 ZINC000409373044 476982224 /nfs/dbraw/zinc/98/22/24/476982224.db2.gz PXYBWILQKDMRSK-MDWZMJQESA-N 0 1 330.727 2.595 40 10 EFCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccccc1Cl ZINC000409371159 476983098 /nfs/dbraw/zinc/98/30/98/476983098.db2.gz DREHBIWOOUUWKX-XYOKQWHBSA-N 0 1 330.727 2.595 40 10 EFCBMN Cc1noc(C2(NCc3cc(Cl)cc(F)c3O)CCOCC2)n1 ZINC000585140127 479297136 /nfs/dbraw/zinc/29/71/36/479297136.db2.gz DPBODHIRGCUCAI-UHFFFAOYSA-N 0 1 341.770 2.672 40 10 EFCBMN Cc1noc(C2([NH2+]Cc3cc(Cl)cc(F)c3[O-])CCOCC2)n1 ZINC000585140127 479297140 /nfs/dbraw/zinc/29/71/40/479297140.db2.gz DPBODHIRGCUCAI-UHFFFAOYSA-N 0 1 341.770 2.672 40 10 EFCBMN COc1ccc(/C=C2/C(=O)NN(c3ccc(Cl)cc3)C2=O)cc1 ZINC000005513467 544421753 /nfs/dbraw/zinc/42/17/53/544421753.db2.gz LROLDWZBQCFPAE-GDNBJRDFSA-N 0 1 328.755 2.810 40 10 EFCBMN COc1ccc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)cc1 ZINC000000344843 471349973 /nfs/dbraw/zinc/34/99/73/471349973.db2.gz HJNHBTUPGKWFQR-OQLLNIDSSA-N 0 1 328.755 2.810 40 10 EFCBMN O=C1C(O)=C(c2ccccc2)C(=O)[C@@]1(Br)c1ccccc1 ZINC000001722473 471396773 /nfs/dbraw/zinc/39/67/73/471396773.db2.gz IBGCUUFUSPBCOE-DYVFJYSZSA-N 0 1 343.176 2.782 40 10 EFCBMN N#CCn1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc21 ZINC000033387108 471983972 /nfs/dbraw/zinc/98/39/72/471983972.db2.gz DBQOHWQVIMTQFT-ATVHPVEESA-N 0 1 342.358 2.626 40 10 EFCBMN CCN(CC)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)o1 ZINC000033620840 471985668 /nfs/dbraw/zinc/98/56/68/471985668.db2.gz MVNVDVIJQULBBE-QINSGFPZSA-N 0 1 325.368 2.587 40 10 EFCBMN Cn1cccc1/C=C1\C(=O)NC(=S)N(c2ccccc2Cl)C1=O ZINC000409239992 476980844 /nfs/dbraw/zinc/98/08/44/476980844.db2.gz NVCSYWRQCGCYHM-PKNBQFBNSA-N 0 1 345.811 2.510 40 10 EFCBMN Cc1ccc(Sc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)cc1 ZINC000409237046 476981267 /nfs/dbraw/zinc/98/12/67/476981267.db2.gz VGZRNFMDYDIAGV-UHFFFAOYSA-N 0 1 338.388 2.896 40 10 EFCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccoc1 ZINC000409239740 476981394 /nfs/dbraw/zinc/98/13/94/476981394.db2.gz DTNOFDUYGHKXND-JXMROGBWSA-N 0 1 332.768 2.764 40 10 EFCBMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC001554502588 1415018596 /nfs/dbraw/zinc/01/85/96/1415018596.db2.gz QYRIHSOITNEDOL-VBKZILBWSA-N 0 1 343.423 2.934 40 10 EFCBMN COc1ccc(OC)c(NC=C2C(=O)NC(=O)N(C(C)(C)C)C2=O)c1 ZINC000103122209 1416764807 /nfs/dbraw/zinc/76/48/07/1416764807.db2.gz BLWZLZMXJXPXCT-PKNBQFBNSA-N 0 1 347.371 2.717 40 10 EFCBMN COc1cccc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)c1 ZINC000004094124 210118441 /nfs/dbraw/zinc/11/84/41/210118441.db2.gz JQUBNHILWJXAKG-DHDCSXOGSA-N 0 1 328.755 2.810 40 10 EFCBMN O=c1[n-]c(-c2cccnc2)nc2c1C[N@H+](Cc1ccccc1O)CC2 ZINC000012121947 211299946 /nfs/dbraw/zinc/29/99/46/211299946.db2.gz DIPZJOSXDUXNGN-UHFFFAOYSA-N 0 1 334.379 2.508 40 10 EFCBMN O=c1[n-]c(-c2cccnc2)nc2c1C[N@@H+](Cc1ccccc1O)CC2 ZINC000012121947 211299950 /nfs/dbraw/zinc/29/99/50/211299950.db2.gz DIPZJOSXDUXNGN-UHFFFAOYSA-N 0 1 334.379 2.508 40 10 EFCBMN Cc1cc2oc(=O)c3c(c2c([O-])c1C[NH+]1CCOCC1)CCCC3 ZINC000033848891 292026743 /nfs/dbraw/zinc/02/67/43/292026743.db2.gz BCQLHFVQWGYQHJ-UHFFFAOYSA-N 0 1 329.396 2.518 40 10 EFCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccco3)C(=O)NC2=S)c1 ZINC000409018576 301225573 /nfs/dbraw/zinc/22/55/73/301225573.db2.gz HTGDOKRDGKVTQR-NTEUORMPSA-N 0 1 326.377 2.728 40 10 EFCBMN CCN1C(=O)NC(=O)C(=Cc2cc(C)n(C[C@H]3CCCO3)c2C)C1=O ZINC000059109285 472623334 /nfs/dbraw/zinc/62/33/34/472623334.db2.gz OSBQWOSUJVNYJK-UWZYDCLUSA-N 0 1 345.399 2.606 40 10 EFCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=CNc1ccccc1Cl ZINC000105300069 472743228 /nfs/dbraw/zinc/74/32/28/472743228.db2.gz STLGUKIFSFUETD-FLIBITNWSA-N 0 1 345.742 2.507 40 10 EFCBMN CCN1c2ccc(C=C3C(=O)NC(=O)NC3=O)cc2[C@H](C)CC1(C)C ZINC000113790003 473418353 /nfs/dbraw/zinc/41/83/53/473418353.db2.gz ZHBVMTVTPIXUCR-LLVKDONJSA-N 0 1 341.411 2.548 40 10 EFCBMN CCn1cccc1/C=C1\C(=O)NC(=S)N(c2ccccc2C)C1=O ZINC000408932301 476975201 /nfs/dbraw/zinc/97/52/01/476975201.db2.gz VKXUEUUUFNMOEY-SDNWHVSQSA-N 0 1 339.420 2.648 40 10 EFCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccoc3)C(=O)NC2=S)c1 ZINC000409011982 291846127 /nfs/dbraw/zinc/84/61/27/291846127.db2.gz PNOVVXFOINARHM-RIYZIHGNSA-N 0 1 326.377 2.728 40 10 EFCBMN CCOc1ccc(/C=C2\C(=O)NC(=O)N(CC)C2=O)c2ccccc12 ZINC000000555365 471370550 /nfs/dbraw/zinc/37/05/50/471370550.db2.gz VTMAELMPZSGFJH-RVDMUPIBSA-N 0 1 338.363 2.720 40 10 EFCBMN CCN1C(=O)NC(=O)C(=Cc2cc(C)n(C[C@@H]3CCCO3)c2C)C1=O ZINC000059109284 472623293 /nfs/dbraw/zinc/62/32/93/472623293.db2.gz OSBQWOSUJVNYJK-AHSSXEFNSA-N 0 1 345.399 2.606 40 10 EFCBMN C[C@H](NC(=O)NC1(C)CCC1)c1ccc(N2CCN(C)CC2)cc1 ZINC000096484555 473443722 /nfs/dbraw/zinc/44/37/22/473443722.db2.gz PCITXIGGOXJFOS-HNNXBMFYSA-N 0 1 330.476 2.741 40 10 EFCBMN CSc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 ZINC000409374061 476982618 /nfs/dbraw/zinc/98/26/18/476982618.db2.gz YJCZUIWIWTZHGW-NTEUORMPSA-N 0 1 342.376 2.664 40 10 EFCBMN CCn1nc(C)c(CNCc2ccc(N3CCOCC3)c(F)c2)c1C ZINC000066995374 215103207 /nfs/dbraw/zinc/10/32/07/215103207.db2.gz CXWNABIVQROOKP-UHFFFAOYSA-N 0 1 346.450 2.785 40 10 EFCBMN CCN(CC)c1ccc(CN2CCc3c(=O)[nH]c(C)nc3C2)c(O)c1 ZINC000019526490 202010149 /nfs/dbraw/zinc/01/01/49/202010149.db2.gz SJSMZZLSCMQUBK-UHFFFAOYSA-N 0 1 342.443 2.601 40 10 EFCBMN O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1cccs1 ZINC000409021758 280281133 /nfs/dbraw/zinc/28/11/33/280281133.db2.gz XOXPZRIOCVLJKW-XYOKQWHBSA-N 0 1 332.381 2.719 40 10 EFCBMN COc1ccccc1/C=C1\C(=O)NN(c2ccc(Cl)cc2)C1=O ZINC000000359862 471350655 /nfs/dbraw/zinc/35/06/55/471350655.db2.gz TYBMVRYUZBTROC-GXDHUFHOSA-N 0 1 328.755 2.810 40 10 EFCBMN O=C1C(O)=C(c2ccccc2)C(=O)[C@]1(Br)c1ccccc1 ZINC000001722471 471396551 /nfs/dbraw/zinc/39/65/51/471396551.db2.gz IBGCUUFUSPBCOE-CXAGYDPISA-N 0 1 343.176 2.782 40 10 EFCBMN CCN(Cc1ccc(N(C)C)cc1)Cc1cc(=O)n2ccsc2n1 ZINC000007362623 471608248 /nfs/dbraw/zinc/60/82/48/471608248.db2.gz AONMGQHMWTVOKB-UHFFFAOYSA-N 0 1 342.468 2.844 40 10 EFCBMN COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\NC(=O)NC2=O)c1C ZINC000015226962 471893462 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