smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1CSC(=S)N1CCS(=O)(=O)[O-] ZINC000002023616 360004461 /nfs/dbraw/zinc/00/44/61/360004461.db2.gz DSUXCYDUDCRSDA-UHFFFAOYSA-N -1 0 241.315 -0.266 50 10 BBCARM O=C1[N-]C(=O)C(=Cc2ccccn2)C(=O)N1 ZINC000003157667 346555726 /nfs/dbraw/zinc/55/57/26/346555726.db2.gz XOWWEYYMXKVOOB-UHFFFAOYSA-N -1 0 217.184 -0.169 50 10 BBCARM O=C1[N-]C(=O)C(=CNc2ccccn2)C(=O)N1 ZINC000004561097 342894437 /nfs/dbraw/zinc/89/44/37/342894437.db2.gz WSYYULRFMSYQFZ-UHFFFAOYSA-N -1 0 232.199 -0.257 50 10 BBCARM CC1(CCC(=O)[O-])NNC(=S)NN1 ZINC000004974072 168017432 /nfs/dbraw/zinc/01/74/32/168017432.db2.gz GWQFOHAOIMANLE-UHFFFAOYSA-N -1 0 204.255 -0.946 50 10 BBCARM O=C1[N-]C(=O)C(=CNNc2ccccc2)C(=O)N1 ZINC000005607410 342767119 /nfs/dbraw/zinc/76/71/19/342767119.db2.gz FOZNHRZRMTXLMB-UHFFFAOYSA-N -1 0 246.226 -0.147 50 10 BBCARM CC(C)CNC=C1C(=O)[N-]C(=O)NC1=O ZINC000005832301 167002821 /nfs/dbraw/zinc/00/28/21/167002821.db2.gz NWRSFLXWYIYDCH-UHFFFAOYSA-N -1 0 211.221 -0.518 50 10 BBCARM O=C1[N-]C(=O)C(=CNC[C@@H]2CCCO2)C(=O)N1 ZINC000006192235 635354724 /nfs/dbraw/zinc/35/47/24/635354724.db2.gz PNDSJHGVIOIOHJ-LURJTMIESA-N -1 0 239.231 -0.995 50 10 BBCARM CCn1cc(C=C2C(=O)[N-]C(=O)NC2=O)cn1 ZINC000006490303 172158202 /nfs/dbraw/zinc/15/82/02/172158202.db2.gz VKWZBMXLHUFAMF-UHFFFAOYSA-N -1 0 234.215 -0.348 50 10 BBCARM O=C1[N-]C(=O)C(=CNC[C@H]2CCCO2)C(=O)N1 ZINC000006492897 635387412 /nfs/dbraw/zinc/38/74/12/635387412.db2.gz PNDSJHGVIOIOHJ-ZCFIWIBFSA-N -1 0 239.231 -0.995 50 10 BBCARM CC[C@H](C)NC=C1C(=O)NC(=S)NC1=O ZINC000006493528 171339373 /nfs/dbraw/zinc/33/93/73/171339373.db2.gz GAEOJSNSYFNINA-YFKPBYRVSA-N -1 0 227.289 -0.211 50 10 BBCARM O=C([O-])CNC(=O)CN1C(=O)CSC1=S ZINC000006550500 387188585 /nfs/dbraw/zinc/18/85/85/387188585.db2.gz BZOLOXRGTMTFBZ-UHFFFAOYSA-N -1 0 248.285 -0.953 50 10 BBCARM CC[C@@H](C)NC=C1C(=O)[N-]C(=O)NC1=O ZINC000006573825 342779588 /nfs/dbraw/zinc/77/95/88/342779588.db2.gz IALPNQFDEZWYCI-RXMQYKEDSA-N -1 0 211.221 -0.376 50 10 BBCARM O=C1[N-]C(=O)C(=Cc2ccc(O)c(O)c2)C(=O)N1 ZINC000006765351 182791399 /nfs/dbraw/zinc/79/13/99/182791399.db2.gz PJCLRLDOILEINS-UHFFFAOYSA-N -1 0 248.194 -0.153 50 10 biogenic,in-vitro BBCARM Cn1nccc1C=C1C(=O)[N-]C(=O)NC1=O ZINC000006827594 387918654 /nfs/dbraw/zinc/91/86/54/387918654.db2.gz VDUNZQAGEJNNSG-UHFFFAOYSA-N -1 0 220.188 -0.831 50 10 BBCARM O=C1[N-]C(=O)C(=CNCc2ccco2)C(=O)N1 ZINC000006999839 342787416 /nfs/dbraw/zinc/78/74/16/342787416.db2.gz VFZJKRWPSCWVLV-UHFFFAOYSA-N -1 0 235.199 -0.381 50 10 BBCARM O=C1[N-]C(=O)C(=CNc2cnccn2)C(=O)N1 ZINC000008520995 372749463 /nfs/dbraw/zinc/74/94/63/372749463.db2.gz NQXREHLFFIXUTB-UHFFFAOYSA-N -1 0 233.187 -0.862 50 10 BBCARM O=C1[N-]C(=O)C(=CNc2nccs2)C(=O)N1 ZINC000010272055 374285588 /nfs/dbraw/zinc/28/55/88/374285588.db2.gz CIKRZDFOWFEISX-UHFFFAOYSA-N -1 0 238.228 -0.195 50 10 BBCARM O=C1[N-]C(=O)C(=CNc2cccnc2)C(=O)N1 ZINC000017174053 342921855 /nfs/dbraw/zinc/92/18/55/342921855.db2.gz MMXPVCMPPOKIMA-UHFFFAOYSA-N -1 0 232.199 -0.257 50 10 BBCARM C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)[O-] ZINC000019168887 342943000 /nfs/dbraw/zinc/94/30/00/342943000.db2.gz TZFNLOMSOLWIDK-JTQLQIEISA-N -1 0 226.232 -0.053 50 10 fda BBCARM C[C@](Cc1ccc(O)c(O)c1)(NN)C(=O)[O-] ZINC000019168901 177442760 /nfs/dbraw/zinc/44/27/60/177442760.db2.gz TZFNLOMSOLWIDK-SNVBAGLBSA-N -1 0 226.232 -0.053 50 10 investigational BBCARM CCCCNC=C1C(=O)[N-]C(=O)NC1=O ZINC000019595377 384529004 /nfs/dbraw/zinc/52/90/04/384529004.db2.gz RYNPELLBQFOMHN-UHFFFAOYSA-N -1 0 211.221 -0.374 50 10 BBCARM O=c1[n-]onc1[N-][N+](=O)c1no[nH]c1=O ZINC000019831109 636399607 /nfs/dbraw/zinc/39/96/07/636399607.db2.gz WLZAKXIPECSOJS-UHFFFAOYSA-O -1 0 215.105 -0.319 50 10 BBCARM O=C1NC(=S)S/C1=C\NCCCO ZINC000020032529 342966589 /nfs/dbraw/zinc/96/65/89/342966589.db2.gz MYZJPPQBDMSQBB-PLNGDYQASA-N -1 0 218.303 -0.052 50 10 BBCARM O=C([O-])Cn1nnc(-c2ccc(O)c(O)c2)n1 ZINC000020120455 384578687 /nfs/dbraw/zinc/57/86/87/384578687.db2.gz OPINCROJMZXJCY-UHFFFAOYSA-N -1 0 236.187 -0.164 50 10 BBCARM CCn1cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)cn1 ZINC000020607378 172150181 /nfs/dbraw/zinc/15/01/81/172150181.db2.gz JNNBGZNKZLCIAZ-YWEYNIOJSA-N -1 0 248.242 -0.005 50 10 BBCARM CCOC(=O)C(=O)[C@@H]1C(=O)C(C)=C([O-])C1=O ZINC000100083984 170184914 /nfs/dbraw/zinc/18/49/14/170184914.db2.gz ZOZZQXRJOZKHSK-CRCLSJGQSA-N -1 0 226.184 -0.908 50 10 BBCARM CCOC(=O)C(=O)[C@H]1C(=O)C(C)=C([O-])C1=O ZINC000100083989 170184164 /nfs/dbraw/zinc/18/41/64/170184164.db2.gz ZOZZQXRJOZKHSK-WHFBIAKZSA-N -1 0 226.184 -0.908 50 10 BBCARM CCOC(=O)C(=O)[C@@H]1C(=O)C(C)=C([O-])C1=O ZINC000100083992 170185078 /nfs/dbraw/zinc/18/50/78/170185078.db2.gz ZOZZQXRJOZKHSK-RFZPGFLSSA-N -1 0 226.184 -0.908 50 10 BBCARM CCOC(=O)C(=O)[C@H]1C(=O)C(C)=C([O-])C1=O ZINC000100083993 170184094 /nfs/dbraw/zinc/18/40/94/170184094.db2.gz ZOZZQXRJOZKHSK-UHNVWZDZSA-N -1 0 226.184 -0.908 50 10 BBCARM CC1(C)OC(=O)C(=CNCC(=O)[O-])C(=O)O1 ZINC000100691080 205557965 /nfs/dbraw/zinc/55/79/65/205557965.db2.gz UPADPDKMNZTEFC-UHFFFAOYSA-N -1 0 229.188 -0.619 50 10 BBCARM C[C@H](NC=C1C(=O)OC(C)(C)OC1=O)C(=O)[O-] ZINC000100751451 398016660 /nfs/dbraw/zinc/01/66/60/398016660.db2.gz VFZREVWWPWLREX-YFKPBYRVSA-N -1 0 243.215 -0.231 50 10 BBCARM C[C@@H](NC=C1C(=O)OC(C)(C)OC1=O)C(=O)[O-] ZINC000100751453 398016420 /nfs/dbraw/zinc/01/64/20/398016420.db2.gz VFZREVWWPWLREX-RXMQYKEDSA-N -1 0 243.215 -0.231 50 10 BBCARM