smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc2c1C(=O)N1CCNC[C@H]1C2 ZINC000096908034 179213518 /nfs/dbraw/zinc/21/35/18/179213518.db2.gz MAFYWOPXNIVLKX-LLVKDONJSA-N 0 1 216.284 0.965 1 0 BCAFMN Cc1nn(-c2ccc(N)cc2F)c(=O)[nH]1 ZINC000103195263 180328922 /nfs/dbraw/zinc/32/89/22/180328922.db2.gz INKCUSUEAGONSE-UHFFFAOYSA-N 0 1 208.196 0.590 1 0 BCAFMN N=C1Nc2nc[nH]c2[C@@H](OCc2cnco2)N1 ZINC000027617001 181340055 /nfs/dbraw/zinc/34/00/55/181340055.db2.gz RWZUNNQJTHSZPF-MRVPVSSYSA-N 0 1 234.219 0.163 1 0 BCAFMN CCOC(=O)c1cc2c(cn1)[C@@H](CCO)NC2 ZINC000061943211 170293898 /nfs/dbraw/zinc/29/38/98/170293898.db2.gz AIADEKXHGUKHQN-SNVBAGLBSA-N 0 1 236.271 0.785 3 0 BCAFMN COc1ccc(C)c2c1C[C@@H]1CNCCN1C2=O ZINC000096908054 175070551 /nfs/dbraw/zinc/07/05/51/175070551.db2.gz HATSPAUQABBECE-SNVBAGLBSA-N 0 1 246.310 0.974 1 0 BCAFMN COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3C(N)=O ZINC000028948105 175201888 /nfs/dbraw/zinc/20/18/88/175201888.db2.gz RKPJMNDWLLIELL-LBPRGKRZSA-N 0 1 245.282 0.849 1 0 BCAFMN C[C@H]1C(=O)N=C(N)N1C(=O)OCc1ccccc1 ZINC000026717347 177058637 /nfs/dbraw/zinc/05/86/37/177058637.db2.gz VJSUBZFYLAFHJO-QMMMGPOBSA-N 0 1 247.254 0.869 1 0 BCAFMN CC1C(=O)N=C(N)N1C(=O)OCc1ccccc1 ZINC000026717347 177058638 /nfs/dbraw/zinc/05/86/38/177058638.db2.gz VJSUBZFYLAFHJO-QMMMGPOBSA-N 0 1 247.254 0.869 1 0 BCAFMN [NH3+][C@@H](CC1=CCCCc2o[nH]c(=O)c21)C(=O)[O-] ZINC000013494065 581101105 /nfs/dbraw/zinc/10/11/05/581101105.db2.gz HJEPOXZLPHUVFE-ZETCQYMHSA-N 0 1 238.243 0.490 1 0 in-vivo BCAFMN Cc1cccc(C)c1C(=O)OCC(=O)CN ZINC000028634871 179033608 /nfs/dbraw/zinc/03/36/08/179033608.db2.gz ZXVDDVGOGLZFDE-UHFFFAOYSA-N 0 1 221.256 0.988 1 0 BCAFMN O=C([O-])c1ccccc1CC[C@@H]1CNCC[NH2+]1 ZINC000139719571 368346440 /nfs/dbraw/zinc/34/64/40/368346440.db2.gz UOLULVNYOGAMLS-LLVKDONJSA-N 0 1 234.299 0.879 2 0 BCAFMN CCN1C[C@@]2(CN3CCC2CC3)OC1=O ZINC000013834392 170032646 /nfs/dbraw/zinc/03/26/46/170032646.db2.gz KQUSRPOLKRCLQB-LLVKDONJSA-N 0 1 210.277 0.923 1 0 BCAFMN COc1cccc2c1C(=O)N1CCNC[C@H]1C2 ZINC000096908039 175301615 /nfs/dbraw/zinc/30/16/15/175301615.db2.gz SMHSRODEABPMTJ-SNVBAGLBSA-N 0 1 232.283 0.665 1 0 BCAFMN Cc1cc2n[nH]c(N)c2c(N2CCOCC2)n1 ZINC000072113833 132395306 /nfs/dbraw/zinc/39/53/06/132395306.db2.gz OQXWVOKSKFTGRB-UHFFFAOYSA-N 0 1 233.275 0.685 1 0 BCAFMN COc1cc(O)c2c(=O)cc(CO)oc2c1 ZINC000000016460 560176755 /nfs/dbraw/zinc/17/67/55/560176755.db2.gz LDNAYBDXSSEORD-UHFFFAOYSA-N 0 1 222.196 1.000 1 0 biogenic,in-vitro BCAFMN O=C([O-])c1ccccc1C[C@@H]1CNCC[NH2+]1 ZINC000139728140 345801933 /nfs/dbraw/zinc/80/19/33/345801933.db2.gz NAMJIUPDXIRYOO-SNVBAGLBSA-N 0 1 220.272 0.489 2 0 BCAFMN NC(=O)[C@]1([NH3+])SC2=C(CCCC2)[C@H]1C(=O)[O-] ZINC000205426113 347443087 /nfs/dbraw/zinc/44/30/87/347443087.db2.gz UMBXINYMLITQIM-OIBJUYFYSA-N 0 1 242.300 0.402 2 0 BCAFMN CCOC(=O)C(O)(O)CNCc1ccccc1 ZINC000205437792 347445187 /nfs/dbraw/zinc/44/51/87/347445187.db2.gz CZFSDZZXBLXHTB-UHFFFAOYSA-N 0 1 239.271 0.020 2 0 BCAFMN N=C1C=C(N)N2N=C(c3ccccc3)S[C@@H]2N1 ZINC000082152332 181338135 /nfs/dbraw/zinc/33/81/35/181338135.db2.gz QFUIRIHSWCWKLL-LLVKDONJSA-N 0 1 245.311 0.852 1 0 BCAFMN CCN1C[C@]2(CN3CCC2CC3)OC1=O ZINC000013834393 170040930 /nfs/dbraw/zinc/04/09/30/170040930.db2.gz KQUSRPOLKRCLQB-NSHDSACASA-N 0 1 210.277 0.923 1 0 BCAFMN CCOC(=O)c1cc2c(cn1)[C@H](CCO)NC2 ZINC000061943349 170293947 /nfs/dbraw/zinc/29/39/47/170293947.db2.gz AIADEKXHGUKHQN-JTQLQIEISA-N 0 1 236.271 0.785 3 0 BCAFMN CN1CCc2ccc3[nH]c(=O)c(=O)[nH]c3c2C1 ZINC000013743346 173171420 /nfs/dbraw/zinc/17/14/20/173171420.db2.gz IAVZWYIFCWJIEK-UHFFFAOYSA-N 0 1 231.255 0.204 1 0 BCAFMN NC1=NC(=O)C(Cc2c[nH]c3ccccc23)O1 ZINC000013366699 181337643 /nfs/dbraw/zinc/33/76/43/181337643.db2.gz FGTZCVGIFPOOSE-SNVBAGLBSA-N 0 1 229.239 0.951 1 0 BCAFMN NC1=NC(=O)[C@@H](Cc2c[nH]c3ccccc23)O1 ZINC000013366699 181337644 /nfs/dbraw/zinc/33/76/44/181337644.db2.gz FGTZCVGIFPOOSE-SNVBAGLBSA-N 0 1 229.239 0.951 1 0 BCAFMN C[C@@H](O)c1nc2n(C3CC3)[nH]cc-2c(=O)n1 ZINC000139502938 368345972 /nfs/dbraw/zinc/34/59/72/368345972.db2.gz FDTKRMXDVZFFCS-RXMQYKEDSA-N 0 1 220.232 0.459 2 0 BCAFMN COc1ccc(-[n+]2nc3no[n-]c-3n2)cc1 ZINC000033284159 175029253 /nfs/dbraw/zinc/02/92/53/175029253.db2.gz KPTIPJUSGUTREL-UHFFFAOYSA-N 0 1 218.196 0.231 1 0 BCAFMN NC(=O)[C@]1([NH3+])SC2=C(CCCC2)[C@@H]1C(=O)[O-] ZINC000205426100 348515457 /nfs/dbraw/zinc/51/54/57/348515457.db2.gz UMBXINYMLITQIM-GMSGAONNSA-N 0 1 242.300 0.402 2 0 BCAFMN CCC[N@H+]1CCO[C@@H]2Cc3n[nH]cc3C[C@H]21 ZINC000027648945 169205761 /nfs/dbraw/zinc/20/57/61/169205761.db2.gz MMWBZHVPEPJHJM-VXGBXAGGSA-N 0 1 221.304 0.988 1 0 BCAFMN CCCN1CCO[C@@H]2Cc3n[nH]cc3C[C@H]21 ZINC000027648945 169205762 /nfs/dbraw/zinc/20/57/62/169205762.db2.gz MMWBZHVPEPJHJM-VXGBXAGGSA-N 0 1 221.304 0.988 1 0 BCAFMN CCc1nc2ccccc2c(=O)n1-c1nn[nH]n1 ZINC000026479721 172014054 /nfs/dbraw/zinc/01/40/54/172014054.db2.gz XZSLKRJPLSGCBB-UHFFFAOYSA-N 0 1 242.242 0.461 1 0 BCAFMN CN1CCC[C@@H]1c1nc2c(cncc2C(N)=O)[nH]1 ZINC000095604792 173036438 /nfs/dbraw/zinc/03/64/38/173036438.db2.gz GOSOUIMLPYNXHR-SECBINFHSA-N 0 1 245.286 0.824 1 0 BCAFMN CN1CCc2c(ccc3[nH]c(=O)c(=O)[nH]c32)C1 ZINC000013743332 173169204 /nfs/dbraw/zinc/16/92/04/173169204.db2.gz LETZOEYFMVLAIR-UHFFFAOYSA-N 0 1 231.255 0.204 1 0 BCAFMN COc1ccc2c(c1)C[C@@H]1CNCCN1C2=O ZINC000096908045 175211087 /nfs/dbraw/zinc/21/10/87/175211087.db2.gz ARGOOWZEEGWQMW-SNVBAGLBSA-N 0 1 232.283 0.665 1 0 BCAFMN O=C1NC(=O)/C(=C/c2cccc3c2OCO3)N1 ZINC000064550041 187273719 /nfs/dbraw/zinc/27/37/19/187273719.db2.gz PRECQMQTUBOIDD-DAXSKMNVSA-N 0 1 232.195 0.596 1 0 BCAFMN Cc1cccc2ncn(-c3nn[nH]n3)c(=O)c12 ZINC000026474853 179231163 /nfs/dbraw/zinc/23/11/63/179231163.db2.gz NBGSWDJZVHLRDA-UHFFFAOYSA-N 0 1 228.215 0.207 1 0 BCAFMN O=C([O-])c1ccccc1CC[C@H]1CNCC[NH2+]1 ZINC000067173250 386716549 /nfs/dbraw/zinc/71/65/49/386716549.db2.gz UOLULVNYOGAMLS-NSHDSACASA-N 0 1 234.299 0.879 2 0 BCAFMN CCOC(=O)C=C1CC(=O)Nc2nonc2N1 ZINC000102690149 170178773 /nfs/dbraw/zinc/17/87/73/170178773.db2.gz JNDQGKCIABSTFJ-DAXSKMNVSA-N 0 1 238.203 0.920 1 0 BCAFMN CN1CCC[C@H]1c1nc2c(cncc2C(N)=O)[nH]1 ZINC000095604793 173059229 /nfs/dbraw/zinc/05/92/29/173059229.db2.gz GOSOUIMLPYNXHR-VIFPVBQESA-N 0 1 245.286 0.824 1 0 BCAFMN [NH3+][C@H](CC1=CCCCc2o[nH]c(=O)c21)C(=O)[O-] ZINC000013494066 560217555 /nfs/dbraw/zinc/21/75/55/560217555.db2.gz HJEPOXZLPHUVFE-SSDOTTSWSA-N 0 1 238.243 0.902 1 0 in-vitro BCAFMN CC[C@@H]1C(=O)OC[C@@H]1/C=C1\C(=O)NC(=O)N1C ZINC000015205710 560229300 /nfs/dbraw/zinc/22/93/00/560229300.db2.gz MIIPHTPXCTWLLA-PMEPWMBOSA-N 0 1 238.243 0.251 1 0 biogenic,in-vitro BCAFMN Cc1cccc2c(=O)n(-c3nn[nH]n3)cnc12 ZINC000026484934 179207767 /nfs/dbraw/zinc/20/77/67/179207767.db2.gz WHANUZVJGJCMAX-UHFFFAOYSA-N 0 1 228.215 0.207 1 0 BCAFMN CC(=O)c1ccc(NS(C)(=O)=O)c(O)c1 ZINC000103275883 188324053 /nfs/dbraw/zinc/32/40/53/188324053.db2.gz PBEIRZIBJDQPAN-UHFFFAOYSA-N 0 1 229.257 0.966 1 0 BCAFMN N=C(CCSCc1nnc[nH]1)NC(N)=O ZINC000027982318 181185721 /nfs/dbraw/zinc/18/57/21/181185721.db2.gz SMRBYDAECUUOJC-UHFFFAOYSA-N 0 1 228.281 0.074 1 0 BCAFMN NC(N=O)NC[C@@H]1COC2(CCCCC2)O1 ZINC000026402848 181199881 /nfs/dbraw/zinc/19/98/81/181199881.db2.gz LTEBGXRFSARGHV-MRVPVSSYSA-N 0 1 229.280 0.565 1 0 BCAFMN O=c1[nH]c(=O)c(Cl)c(N2CCCCC2)[nH]1 ZINC000014972666 132322684 /nfs/dbraw/zinc/32/26/84/132322684.db2.gz GAUOSAPGBARSDS-UHFFFAOYSA-N 0 1 229.667 0.707 1 0 BCAFMN CCN1CCc2ccc3[nH]c(=O)c(=O)[nH]c3c2C1 ZINC000013743347 170024890 /nfs/dbraw/zinc/02/48/90/170024890.db2.gz LTYPUAYPCJMPED-UHFFFAOYSA-N 0 1 245.282 0.594 1 0 BCAFMN COc1cccc2c1C[C@@H]1CNCCN1C2=O ZINC000096908050 175303501 /nfs/dbraw/zinc/30/35/01/175303501.db2.gz YCDSZCGMPUCYDQ-SECBINFHSA-N 0 1 232.283 0.665 1 0 BCAFMN Cc1cc(=O)n2nc(NC(=O)C3CC3)[nH]c2n1 ZINC000018221946 178201911 /nfs/dbraw/zinc/20/19/11/178201911.db2.gz YFBJHHCHDXKYSI-UHFFFAOYSA-N 0 1 233.231 0.487 1 0 BCAFMN Cc1ccc2c(c1)C[C@@H]1CNCCN1C2=O ZINC000096907551 188147770 /nfs/dbraw/zinc/14/77/70/188147770.db2.gz IKMJAJWWCYQNSA-LLVKDONJSA-N 0 1 216.284 0.965 1 0 BCAFMN CN1c2ccccc2O[C@@](C)(C2=NCCN2)C1=O ZINC000013806020 132322402 /nfs/dbraw/zinc/32/24/02/132322402.db2.gz MORACZYBZBHBFR-ZDUSSCGKSA-N 0 1 245.282 0.802 1 0 BCAFMN C/C=C(/C)C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12 ZINC000032297829 560089243 /nfs/dbraw/zinc/08/92/43/560089243.db2.gz VYUQPLFRNDQDHW-BTRLNGJCSA-N 0 1 237.299 0.871 1 0 biogenic,in-vitro BCAFMN NC(=O)c1cccc2nc([C@@H]3CCC(=O)N3)[nH]c21 ZINC000040861856 188118046 /nfs/dbraw/zinc/11/80/46/188118046.db2.gz IOHRTULIGFHGAL-QMMMGPOBSA-N 0 1 244.254 0.613 1 0 BCAFMN NC(=O)[C@]1([NH3+])SC2=C(CCC2)[C@H]1C(=O)[O-] ZINC000086860039 181284817 /nfs/dbraw/zinc/28/48/17/181284817.db2.gz AKQFNEQVHVFIOG-IMTBSYHQSA-N 0 1 228.273 0.012 2 0 BCAFMN N=C1Nc2nc[nH]c2[C@H](OCc2cnco2)N1 ZINC000027616996 181340602 /nfs/dbraw/zinc/34/06/02/181340602.db2.gz RWZUNNQJTHSZPF-QMMMGPOBSA-N 0 1 234.219 0.163 1 0 BCAFMN CN(C)C(=O)c1nnsc1NN=O ZINC000005836060 172393556 /nfs/dbraw/zinc/39/35/56/172393556.db2.gz XMBDAHICYLHPSO-UHFFFAOYSA-N 0 1 201.211 0.333 1 0 BCAFMN COc1cccc2c1[nH]c1c2C(=O)C(=O)NC1=O ZINC000013383335 175306574 /nfs/dbraw/zinc/30/65/74/175306574.db2.gz VELKHFGMMALQQU-UHFFFAOYSA-N 0 1 244.206 0.629 1 0 BCAFMN C[C@@H]1CN(C(=O)[C@@](C)(O)C(F)(F)F)CCN1 ZINC000013557249 176256835 /nfs/dbraw/zinc/25/68/35/176256835.db2.gz FMPWSCRNEYTIKH-HTRCEHHLSA-N 0 1 240.225 0.120 1 0 BCAFMN NC(=O)[C@@]1([NH3+])SC2=C(CCCC2)[C@@H]1C(=O)[O-] ZINC000205426127 347443197 /nfs/dbraw/zinc/44/31/97/347443197.db2.gz UMBXINYMLITQIM-XCBNKYQSSA-N 0 1 242.300 0.402 2 0 BCAFMN O=C([O-])c1ccccc1C[C@H]1CNCC[NH2+]1 ZINC000139728280 368346475 /nfs/dbraw/zinc/34/64/75/368346475.db2.gz NAMJIUPDXIRYOO-JTQLQIEISA-N 0 1 220.272 0.489 2 0 BCAFMN O=C([O-])c1ccc(CC[C@@H]2CNCC[NH2+]2)cc1 ZINC000139728431 368347051 /nfs/dbraw/zinc/34/70/51/368347051.db2.gz CXNBERLZFZRNEA-GFCCVEGCSA-N 0 1 234.299 0.879 2 0 BCAFMN COc1ccc2[nH]c3c(c2c1)CCN[C@H]3C(N)=O ZINC000028948107 175202380 /nfs/dbraw/zinc/20/23/80/175202380.db2.gz RKPJMNDWLLIELL-GFCCVEGCSA-N 0 1 245.282 0.849 1 0 BCAFMN COc1ccc2c(c1)C(=O)N1CCNC[C@H]1C2 ZINC000096907549 175206353 /nfs/dbraw/zinc/20/63/53/175206353.db2.gz JXMPAYPDNCDBDU-SNVBAGLBSA-N 0 1 232.283 0.665 1 0 BCAFMN NC(=O)[C@@]1([NH3+])SC2=C(CCC2)[C@@H]1C(=O)[O-] ZINC000086860040 181276122 /nfs/dbraw/zinc/27/61/22/181276122.db2.gz AKQFNEQVHVFIOG-MUWHJKNJSA-N 0 1 228.273 0.012 2 0 BCAFMN NC(=O)[C@]1([NH3+])SC2=C(CCC2)[C@@H]1C(=O)[O-] ZINC000086860041 181284452 /nfs/dbraw/zinc/28/44/52/181284452.db2.gz AKQFNEQVHVFIOG-HZGVNTEJSA-N 0 1 228.273 0.012 2 0 BCAFMN O=C([O-])c1cccc(CC[C@H]2CNCC[NH2+]2)c1 ZINC000139728817 368346451 /nfs/dbraw/zinc/34/64/51/368346451.db2.gz ASGMEFRTNQIYKS-LBPRGKRZSA-N 0 1 234.299 0.879 2 0 BCAFMN O=C([O-])c1ccc(CC[C@H]2CNCC[NH2+]2)cc1 ZINC000139728544 368347177 /nfs/dbraw/zinc/34/71/77/368347177.db2.gz CXNBERLZFZRNEA-LBPRGKRZSA-N 0 1 234.299 0.879 2 0 BCAFMN CN(C)c1noc(C2=CCCN(C)C2)n1 ZINC000013820920 188460226 /nfs/dbraw/zinc/46/02/26/188460226.db2.gz XTWHNBDGPCTEFD-UHFFFAOYSA-N 0 1 208.265 0.855 1 0 BCAFMN NC(=O)[C@@H](N)Cc1c[nH]c2ccc(F)cc12 ZINC000059206602 181264303 /nfs/dbraw/zinc/26/43/03/181264303.db2.gz AUPFIPWHFGWJCT-VIFPVBQESA-N 0 1 221.235 0.662 1 0 BCAFMN O=C([O-])c1cccc(C[C@H]2CNCC[NH2+]2)c1 ZINC000139728012 368346396 /nfs/dbraw/zinc/34/63/96/368346396.db2.gz IAASDWNKKJQNGJ-NSHDSACASA-N 0 1 220.272 0.489 2 0 BCAFMN Cc1c(CCO)n[nH]c1Cc1cnc(C)nc1N ZINC000029128849 180162569 /nfs/dbraw/zinc/16/25/69/180162569.db2.gz UAEXHGVNKSTARU-UHFFFAOYSA-N 0 1 247.302 0.524 1 0 BCAFMN C[C@H](O)c1nc2n(C3CC3)[nH]cc-2c(=O)n1 ZINC000139502806 368346673 /nfs/dbraw/zinc/34/66/73/368346673.db2.gz FDTKRMXDVZFFCS-YFKPBYRVSA-N 0 1 220.232 0.459 2 0 BCAFMN O=C([O-])c1cccc(C[C@@H]2CNCC[NH2+]2)c1 ZINC000067173251 386717441 /nfs/dbraw/zinc/71/74/41/386717441.db2.gz IAASDWNKKJQNGJ-LLVKDONJSA-N 0 1 220.272 0.489 2 0 BCAFMN CN1CCN(c2nccc(-n3ccnc3)n2)CC1 ZINC000013808365 132322474 /nfs/dbraw/zinc/32/24/74/132322474.db2.gz SJXASEQOEUUBFT-UHFFFAOYSA-N 0 1 244.302 0.414 1 0 BCAFMN Cc1cccc2c1C[C@@H]1CNCCN1C2=O ZINC000096908047 179218057 /nfs/dbraw/zinc/21/80/57/179218057.db2.gz PIDNBCLTDPVQNH-SNVBAGLBSA-N 0 1 216.284 0.965 1 0 BCAFMN Cc1nc2ccccc2c(=O)n1-c1nn[nH]n1 ZINC000003160386 180101825 /nfs/dbraw/zinc/10/18/25/180101825.db2.gz NIJNZBARSNFQBN-UHFFFAOYSA-N 0 1 228.215 0.207 1 0 BCAFMN NC(=O)[C@@]1([NH3+])SC2=C(CCCC2)[C@H]1C(=O)[O-] ZINC000205426139 347443034 /nfs/dbraw/zinc/44/30/34/347443034.db2.gz UMBXINYMLITQIM-XVKPBYJWSA-N 0 1 242.300 0.402 2 0 BCAFMN CSc1nc(=O)cc(-c2cnccn2)[nH]1 ZINC000205460437 347444394 /nfs/dbraw/zinc/44/43/94/347444394.db2.gz FNOBRFYVMCOANZ-UHFFFAOYSA-N 0 1 220.257 0.915 2 0 BCAFMN NC(N=O)NC[C@H]1COC2(CCCCC2)O1 ZINC000026402850 181199939 /nfs/dbraw/zinc/19/99/39/181199939.db2.gz LTEBGXRFSARGHV-QMMMGPOBSA-N 0 1 229.280 0.565 1 0 BCAFMN NC(=O)[C@@]1([NH3+])SC2=C(CCC2)[C@H]1C(=O)[O-] ZINC000086860037 181275275 /nfs/dbraw/zinc/27/52/75/181275275.db2.gz AKQFNEQVHVFIOG-RCOVLWMOSA-N 0 1 228.273 0.012 2 0 BCAFMN NC(=O)[C@H](N)Cc1c[nH]c2ccc(F)cc12 ZINC000059206603 181276748 /nfs/dbraw/zinc/27/67/48/181276748.db2.gz AUPFIPWHFGWJCT-SECBINFHSA-N 0 1 221.235 0.662 1 0 BCAFMN NC1=NC(=O)CN1C(=O)OCc1ccccc1 ZINC000029546303 181338543 /nfs/dbraw/zinc/33/85/43/181338543.db2.gz SCVMCFNJVXZGKM-UHFFFAOYSA-N 0 1 233.227 0.480 1 0 BCAFMN N=C1C=C(N)N2N=C(c3ccccc3)S[C@H]2N1 ZINC000082152329 181338553 /nfs/dbraw/zinc/33/85/53/181338553.db2.gz QFUIRIHSWCWKLL-NSHDSACASA-N 0 1 245.311 0.852 1 0 BCAFMN NCC(=O)Nc1cc(-c2ccncc2)c[nH]c1=O ZINC000084687550 181355674 /nfs/dbraw/zinc/35/56/74/181355674.db2.gz SQQOYUCRGKOEFN-UHFFFAOYSA-N 0 1 244.254 0.334 1 0 BCAFMN O=C([O-])c1cccc(CC[C@@H]2CNCC[NH2+]2)c1 ZINC000139728690 368346739 /nfs/dbraw/zinc/34/67/39/368346739.db2.gz ASGMEFRTNQIYKS-GFCCVEGCSA-N 0 1 234.299 0.879 2 0 BCAFMN O[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1CN1CCOCC1 ZINC000017355203 183249202 /nfs/dbraw/zinc/24/92/02/183249202.db2.gz WMLRXFPCBUMHRA-USZNOCQGSA-N 0 1 211.305 0.726 1 0 BCAFMN CN1c2ccccc2O[C@](C)(C2=NCCN2)C1=O ZINC000013806018 132322452 /nfs/dbraw/zinc/32/24/52/132322452.db2.gz MORACZYBZBHBFR-CYBMUJFWSA-N 0 1 245.282 0.802 1 0 BCAFMN