smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1cc(CC2CCC2)cc(C(=O)[O-])c1 ZINC001250141915 967427778 /nfs/dbraw/zinc/42/77/78/967427778.db2.gz YHWCETPDYIHONL-UHFFFAOYSA-N -2 0 234.251 2.426 20 0 BEADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1cscn1 ZINC001241889329 983103818 /nfs/dbraw/zinc/10/38/18/983103818.db2.gz IPJYKLWEGMPIPP-UHFFFAOYSA-N -2 0 249.247 2.207 20 0 BEADRL Cn1cc(-c2ccccc2C(=O)[O-])cc1C(=O)[O-] ZINC000578445656 366570549 /nfs/dbraw/zinc/57/05/49/366570549.db2.gz MKKCTTZHCVOWEI-UHFFFAOYSA-N -2 0 245.234 2.089 20 0 BEADRL O=C([O-])c1cncc(-c2ccccc2C(=O)[O-])c1 ZINC000067796497 182590179 /nfs/dbraw/zinc/59/01/79/182590179.db2.gz ORPRULFZPAZQBQ-UHFFFAOYSA-N -2 0 243.218 2.145 20 0 BEADRL Cn1cc(-c2cccc(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000517238774 488118997 /nfs/dbraw/zinc/11/89/97/488118997.db2.gz MJUACQNYAXIFKO-UHFFFAOYSA-N -2 0 245.234 2.089 20 0 BEADRL [S-]c1cc([S-])cc(NCc2ncon2)c1 ZINC001162281170 964907115 /nfs/dbraw/zinc/90/71/15/964907115.db2.gz DPEMIPHZAFBPBP-UHFFFAOYSA-N -2 0 239.325 2.259 20 0 BEADRL O=C(Nc1ccccc1[S-])c1ccncc1[O-] ZINC001188637047 980684496 /nfs/dbraw/zinc/68/44/96/980684496.db2.gz QCUJQINENCDDAX-UHFFFAOYSA-N -2 0 246.291 2.328 20 0 BEADRL O=P([O-])([O-])c1ccc(-c2ccccc2)cc1 ZINC000039262502 1165809669 /nfs/dbraw/zinc/80/96/69/1165809669.db2.gz YMPNWCQTWSCICD-UHFFFAOYSA-N -2 0 234.191 2.157 20 0 BEADRL CCC[C@@H](C)OCCCC[P@@](=O)([O-])O ZINC001225023583 974150338 /nfs/dbraw/zinc/15/03/38/974150338.db2.gz YUELXUJQQSHZOO-SECBINFHSA-N -2 0 224.237 2.150 20 0 BEADRL C[C@H](CCO)Nc1cc([S-])cc([S-])c1 ZINC001165939414 966209451 /nfs/dbraw/zinc/20/94/51/966209451.db2.gz VGGAMNLCDRXPJZ-SSDOTTSWSA-N -2 0 229.370 2.447 20 0 BEADRL O=P([O-])([O-])c1ccc(-c2ccsc2)cc1 ZINC001239514435 966961667 /nfs/dbraw/zinc/96/16/67/966961667.db2.gz ZXWZEDTWDFHQSX-UHFFFAOYSA-N -2 0 240.220 2.218 20 0 BEADRL C[C@H](Oc1nc[n-]c(=O)c1Cl)C1=CC=C[CH]1 ZINC001230018785 977073997 /nfs/dbraw/zinc/07/39/97/977073997.db2.gz UAXFAKDBRWUBDY-ZETCQYMHSA-N -2 0 237.666 2.303 20 0 BEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2nccs2)c1 ZINC001242161111 983385868 /nfs/dbraw/zinc/38/58/68/983385868.db2.gz WDBRANPUFDFIEK-UHFFFAOYSA-N -2 0 249.247 2.207 20 0 BEADRL O=C([O-])c1cncc(-c2cccc([S-])c2)n1 ZINC001242865810 984210303 /nfs/dbraw/zinc/21/03/03/984210303.db2.gz CSHNRTHQCSXJNT-UHFFFAOYSA-N -2 0 232.264 2.131 20 0 BEADRL O=C1CC(Nc2cc([S-])cc([S-])c2)C1 ZINC001167344290 957815633 /nfs/dbraw/zinc/81/56/33/957815633.db2.gz DCDPMNFUSWIUPE-UHFFFAOYSA-N -2 0 225.338 2.407 20 0 BEADRL O=C([O-])c1ccc(-c2cccc([S-])c2)nn1 ZINC001242864083 970110441 /nfs/dbraw/zinc/11/04/41/970110441.db2.gz DMBYIWBOSXEALT-UHFFFAOYSA-N -2 0 232.264 2.131 20 0 BEADRL CC[C@@H](C)Oc1ccc(OP(=O)([O-])[O-])cc1 ZINC001234331971 978821536 /nfs/dbraw/zinc/82/15/36/978821536.db2.gz MKCDSZYUOJFJCM-MRVPVSSYSA-N -2 0 246.199 2.335 20 0 BEADRL O=C([O-])c1cccc(-n2[n-]c(C3CC3)cc2=O)c1 ZINC001245910473 987134754 /nfs/dbraw/zinc/13/47/54/987134754.db2.gz ITXAXRPMWSMBAV-UHFFFAOYSA-N -2 0 244.250 2.154 20 0 BEADRL O=c1cc(CNc2cc(F)ccc2[S-])o[n-]1 ZINC001169492097 969706852 /nfs/dbraw/zinc/70/68/52/969706852.db2.gz JNGHHIDLCKAZQV-UHFFFAOYSA-N -2 0 240.259 2.420 20 0 BEADRL O=[P@@]([O-])(O)CCCCOC1CCCCC1 ZINC001225023252 974147592 /nfs/dbraw/zinc/14/75/92/974147592.db2.gz WKYCWNNIPZMREK-UHFFFAOYSA-N -2 0 236.248 2.294 20 0 BEADRL C[C@@H](Oc1ccnc(=S)[nH]1)C1=CC=C[CH]1 ZINC001226940781 975165669 /nfs/dbraw/zinc/16/56/69/975165669.db2.gz VOSFQQJSKVDQSA-MRVPVSSYSA-N -2 0 219.289 2.233 20 0 BEADRL CCC/C=C/c1ccc(P(=O)([O-])[O-])cc1 ZINC001242256602 983480588 /nfs/dbraw/zinc/48/05/88/983480588.db2.gz PNFFXMRCNBNLKS-SNAWJCMRSA-N -2 0 226.212 2.303 20 0 BEADRL Cc1[n-]n(-c2ccc(C)c(C(=O)[O-])c2)c(=O)c1C ZINC001594113275 998221832 /nfs/dbraw/zinc/22/18/32/998221832.db2.gz HIVYTJCSKSCNTM-MRVPVSSYSA-N -2 0 246.266 2.052 20 0 BEADRL CC(C)c1cc(=O)n(-c2cccc(C(=O)[O-])c2)[n-]1 ZINC000040415101 373249934 /nfs/dbraw/zinc/24/99/34/373249934.db2.gz PSCKNFKPPMYAHW-UHFFFAOYSA-N -2 0 246.266 2.134 20 0 BEADRL O=C([O-])CCC[NH2+]Cc1cccc(O)c1Cl ZINC000328218444 487630552 /nfs/dbraw/zinc/63/05/52/487630552.db2.gz KTYDOUBKEAVSHA-UHFFFAOYSA-N -2 0 243.690 2.000 20 0 BEADRL CCc1[n-]n(-c2ccccc2C(=O)[O-])c(=O)c1C ZINC000110471169 582854836 /nfs/dbraw/zinc/85/48/36/582854836.db2.gz SJYUCLSXQKOQEX-QMMMGPOBSA-N -2 0 246.266 2.134 20 0 BEADRL C[C@H](Oc1[n-]c(=O)ncc1Cl)C1=CC=C[CH]1 ZINC001228482349 976254560 /nfs/dbraw/zinc/25/45/60/976254560.db2.gz LLCIREHACXEPEH-ZETCQYMHSA-N -2 0 237.666 2.303 20 0 BEADRL CC(=O)CNc1cc([S-])cc([S-])c1 ZINC001167628800 959130202 /nfs/dbraw/zinc/13/02/02/959130202.db2.gz BILWOBJRPLANBJ-UHFFFAOYSA-N -2 0 213.327 2.265 20 0 BEADRL C[C@H](Oc1[n-]c(=O)nc2[nH]ccc21)C1=CC=C[CH]1 ZINC001227270801 975346246 /nfs/dbraw/zinc/34/62/46/975346246.db2.gz LPMIPVJDOMJOEJ-QMMMGPOBSA-N -2 0 242.258 2.131 20 0 BEADRL O=C([O-])c1cc(Nc2ccoc2)cc(C(=O)[O-])c1 ZINC001176240170 978006922 /nfs/dbraw/zinc/00/69/22/978006922.db2.gz WJIFLIMDXDUUDI-UHFFFAOYSA-N -2 0 247.206 2.420 20 0 BEADRL CCCc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000059668248 1172560523 /nfs/dbraw/zinc/56/05/23/1172560523.db2.gz OVUCRBVKVZNWCF-UHFFFAOYSA-N -2 0 208.213 2.036 20 0 BEADRL C[C@@H](Oc1[n-]c(=O)ncc1Cl)C1=CC=C[CH]1 ZINC001228482347 976251249 /nfs/dbraw/zinc/25/12/49/976251249.db2.gz LLCIREHACXEPEH-SSDOTTSWSA-N -2 0 237.666 2.303 20 0 BEADRL Nc1ncc(-c2cc([S-])cc([S-])c2)cn1 ZINC001243874636 985532751 /nfs/dbraw/zinc/53/27/51/985532751.db2.gz IFJCEXYYNOMZOC-UHFFFAOYSA-N -2 0 235.337 2.303 20 0 BEADRL C[C@H]1CC[C@H](OCCCC[P@@](=O)([O-])O)C1 ZINC001225023204 974146804 /nfs/dbraw/zinc/14/68/04/974146804.db2.gz VZOMBIBTWQPENY-UWVGGRQHSA-N -2 0 236.248 2.150 20 0 BEADRL OC[C@H]1C[C@@H](Nc2cc([S-])cc([S-])c2)C1 ZINC001168246223 964056179 /nfs/dbraw/zinc/05/61/79/964056179.db2.gz CRJMKNUYBCELHH-OCAPTIKFSA-N -2 0 241.381 2.447 20 0 BEADRL C[C@H](Oc1[n-]c(=O)nc2cc[nH]c21)C1=CC=C[CH]1 ZINC001227810847 975710945 /nfs/dbraw/zinc/71/09/45/975710945.db2.gz YGPDAZQFEDSNQT-QMMMGPOBSA-N -2 0 242.258 2.131 20 0 BEADRL C[C@@H](Oc1nc[n-]c(=O)c1Cl)C1=CC=C[CH]1 ZINC001230018784 977072055 /nfs/dbraw/zinc/07/20/55/977072055.db2.gz UAXFAKDBRWUBDY-SSDOTTSWSA-N -2 0 237.666 2.303 20 0 BEADRL O=P([O-])([O-])Oc1ccc(OC2CCC2)cc1 ZINC001234341582 978823394 /nfs/dbraw/zinc/82/33/94/978823394.db2.gz ZWQSFMPYGYBJDT-UHFFFAOYSA-N -2 0 244.183 2.089 20 0 BEADRL Cc1cccc(-c2ccc(P(=O)([O-])[O-])cc2)c1 ZINC001239489945 980645892 /nfs/dbraw/zinc/64/58/92/980645892.db2.gz VXSNYEFYAHUSRG-UHFFFAOYSA-N -2 0 248.218 2.465 20 0 BEADRL COc1nc(Nc2cccc([S-])c2)cc(=O)[n-]1 ZINC001210945683 957945811 /nfs/dbraw/zinc/94/58/11/957945811.db2.gz RAZNJHQPNVCOLB-UHFFFAOYSA-N -2 0 249.295 2.223 20 0 BEADRL C[C@@H](Oc1nc(Cl)cc(=O)[n-]1)C1=CC=C[CH]1 ZINC001225563870 962293885 /nfs/dbraw/zinc/29/38/85/962293885.db2.gz VPKBMLKVGRYIKU-SSDOTTSWSA-N -2 0 237.666 2.303 20 0 BEADRL C[C@H](Oc1nc(Cl)cc(=O)[n-]1)C1=CC=C[CH]1 ZINC001225563876 962297338 /nfs/dbraw/zinc/29/73/38/962297338.db2.gz VPKBMLKVGRYIKU-ZETCQYMHSA-N -2 0 237.666 2.303 20 0 BEADRL O=C([O-])c1cc(CC2CC2)cc(C(=O)[O-])c1 ZINC001250036834 967291619 /nfs/dbraw/zinc/29/16/19/967291619.db2.gz FSXKQROSSBINMV-UHFFFAOYSA-N -2 0 220.224 2.036 20 0 BEADRL C[C@H](OCCCC[P@@](=O)([O-])O)C1=CC=C[CH]1 ZINC001225018955 974147808 /nfs/dbraw/zinc/14/78/08/974147808.db2.gz NBBBWKKFVCQULF-JTQLQIEISA-N -2 0 245.235 2.050 20 0 BEADRL C[C@H]1CC[C@@H](OCCCC[P@@](=O)([O-])O)C1 ZINC001225023207 974148687 /nfs/dbraw/zinc/14/86/87/974148687.db2.gz VZOMBIBTWQPENY-VHSXEESVSA-N -2 0 236.248 2.150 20 0 BEADRL C[C@H](Oc1ccnc(=S)[nH]1)C1=CC=C[CH]1 ZINC001226940786 975165864 /nfs/dbraw/zinc/16/58/64/975165864.db2.gz VOSFQQJSKVDQSA-QMMMGPOBSA-N -2 0 219.289 2.233 20 0 BEADRL C[C@@H](Oc1[n-]c(=O)nc2cc[nH]c21)C1=CC=C[CH]1 ZINC001227810846 975715416 /nfs/dbraw/zinc/71/54/16/975715416.db2.gz YGPDAZQFEDSNQT-MRVPVSSYSA-N -2 0 242.258 2.131 20 0 BEADRL C[C@H](Oc1[n-]ncc(=O)c1Cl)C1=CC=C[CH]1 ZINC001228388461 976177865 /nfs/dbraw/zinc/17/78/65/976177865.db2.gz WJSOWGAJTNYVTR-ZETCQYMHSA-N -2 0 237.666 2.303 20 0 BEADRL C[C@@H](Oc1[n-]ncc(=O)c1Cl)C1=CC=C[CH]1 ZINC001228388460 976181040 /nfs/dbraw/zinc/18/10/40/976181040.db2.gz WJSOWGAJTNYVTR-SSDOTTSWSA-N -2 0 237.666 2.303 20 0 BEADRL C[C@H](Oc1n[n-]c(=O)cc1Cl)C1=CC=C[CH]1 ZINC001233587777 978635815 /nfs/dbraw/zinc/63/58/15/978635815.db2.gz ZLHGHUZQKDPNAW-ZETCQYMHSA-N -2 0 237.666 2.303 20 0 BEADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1ccncc1 ZINC001239609846 980806100 /nfs/dbraw/zinc/80/61/00/980806100.db2.gz JDEVBSSIOSIYLF-UHFFFAOYSA-N -2 0 243.218 2.145 20 0 BEADRL C[C@@H](OCCCC[P@@](=O)([O-])O)C1=CC=C[CH]1 ZINC001225018956 974149135 /nfs/dbraw/zinc/14/91/35/974149135.db2.gz NBBBWKKFVCQULF-SNVBAGLBSA-N -2 0 245.235 2.050 20 0 BEADRL O=C([O-])c1cc(CCCCF)cc(C(=O)[O-])c1 ZINC001250261951 967566114 /nfs/dbraw/zinc/56/61/14/967566114.db2.gz YOHAUAIKRDQDDC-UHFFFAOYSA-N -2 0 240.230 2.375 20 0 BEADRL CC[C@H](C)[C@@H](C(=O)[O-])n1cc(C2=CC=C[CH]2)nn1 ZINC001254089554 969486632 /nfs/dbraw/zinc/48/66/32/969486632.db2.gz WZKUWWUVZGGLFD-CABZTGNLSA-N -2 0 246.290 2.107 20 0 BEADRL CC[C@H](C)Oc1ccc(OP(=O)([O-])[O-])cc1 ZINC001234338942 978822745 /nfs/dbraw/zinc/82/27/45/978822745.db2.gz MKCDSZYUOJFJCM-QMMMGPOBSA-N -2 0 246.199 2.335 20 0 BEADRL Cc1ccccc1-c1ccc(P(=O)([O-])[O-])cc1 ZINC001239504554 980672214 /nfs/dbraw/zinc/67/22/14/980672214.db2.gz UKOOZUQIWVVXPX-UHFFFAOYSA-N -2 0 248.218 2.465 20 0 BEADRL Cc1[n-]n(-c2cccc(C(=O)[O-])c2C)c(=O)c1C ZINC000634633483 343044205 /nfs/dbraw/zinc/04/42/05/343044205.db2.gz XNSYCEMSIGKOFB-ZETCQYMHSA-N -2 0 246.266 2.052 20 0 BEADRL O=C(Nc1ccccc1O)c1ccc(O)c(F)c1 ZINC000681020835 487697613 /nfs/dbraw/zinc/69/76/13/487697613.db2.gz FBXIDZXVRCLTSO-UHFFFAOYSA-N -2 0 247.225 2.489 20 0 BEADRL O=C([O-])c1cc(CC(F)(F)F)cc(C(=O)[O-])c1 ZINC001250030307 967284561 /nfs/dbraw/zinc/28/45/61/967284561.db2.gz DQGAHNKDPVVSTJ-UHFFFAOYSA-N -2 0 248.156 2.188 20 0 BEADRL CC(C)c1cc(=O)n(-c2ccccc2C(=O)[O-])[n-]1 ZINC000040711301 1167524382 /nfs/dbraw/zinc/52/43/82/1167524382.db2.gz DMAHVRJVTXIJAJ-UHFFFAOYSA-N -2 0 246.266 2.134 20 0 BEADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1cncs1 ZINC001241497003 969012257 /nfs/dbraw/zinc/01/22/57/969012257.db2.gz HEMISTBOPFGHMX-UHFFFAOYSA-N -2 0 249.247 2.207 20 0 BEADRL O=P([O-])([O-])c1ccc(C2=CCCCC2)cc1 ZINC001241718700 982991089 /nfs/dbraw/zinc/99/10/89/982991089.db2.gz SBIVKBOHPDDDSG-UHFFFAOYSA-N -2 0 238.223 2.447 20 0 BEADRL Cc1oncc1-c1c(C(=O)[O-])cccc1C(=O)[O-] ZINC001242601643 983948661 /nfs/dbraw/zinc/94/86/61/983948661.db2.gz SCQVJLNCCRMVNX-UHFFFAOYSA-N -2 0 247.206 2.046 20 0 BEADRL O=C([O-])Cc1nccnc1-c1cccc([S-])c1 ZINC001242864222 984207624 /nfs/dbraw/zinc/20/76/24/984207624.db2.gz GUWLSXHPDYPUMY-UHFFFAOYSA-N -2 0 246.291 2.059 20 0 BEADRL CCc1[n-]n(-c2ccccc2C(=O)[O-])c(=O)c1C ZINC000110471166 582854670 /nfs/dbraw/zinc/85/46/70/582854670.db2.gz SJYUCLSXQKOQEX-MRVPVSSYSA-N -2 0 246.266 2.134 20 0 BEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccccn2)c1 ZINC001250515967 968019112 /nfs/dbraw/zinc/01/91/12/968019112.db2.gz ZWRVIKTUJSWQCU-UHFFFAOYSA-N -2 0 243.218 2.145 20 0 BEADRL Cc1nnc([N-]c2c(F)cc(F)c(O)c2F)o1 ZINC001176662583 978156924 /nfs/dbraw/zinc/15/69/24/978156924.db2.gz SFGNHFIFHBXGPB-UHFFFAOYSA-N -2 0 245.160 2.245 20 0 BEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cccnc2)c1 ZINC001250604469 981947247 /nfs/dbraw/zinc/94/72/47/981947247.db2.gz FBNJEMJSKMBJAH-UHFFFAOYSA-N -2 0 243.218 2.145 20 0 BEADRL CC(C)c1cc(=O)n(-c2ccccc2C(=O)[O-])[n-]1 ZINC001245917502 987149011 /nfs/dbraw/zinc/14/90/11/987149011.db2.gz LIQXDHQTNGXELG-UHFFFAOYSA-N -2 0 246.266 2.400 20 0 BEADRL O=C([O-])c1ccc([N-]c2nnco2)c(Cl)c1 ZINC001248545271 989118625 /nfs/dbraw/zinc/11/86/25/989118625.db2.gz SXMOEWWAPMLQFF-UHFFFAOYSA-N -2 0 239.618 2.165 20 0 BEADRL CC(C)c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000059668304 349233859 /nfs/dbraw/zinc/23/38/59/349233859.db2.gz YPCHZVSOINXJLJ-UHFFFAOYSA-N -2 0 208.213 2.206 20 0 BEADRL C[C@@H](Oc1n[n-]c(=O)cc1Cl)C1=CC=C[CH]1 ZINC001233587776 978632926 /nfs/dbraw/zinc/63/29/26/978632926.db2.gz ZLHGHUZQKDPNAW-SSDOTTSWSA-N -2 0 237.666 2.303 20 0 BEADRL Cc1nocc1-c1c(C(=O)[O-])cccc1C(=O)[O-] ZINC001243675455 970836508 /nfs/dbraw/zinc/83/65/08/970836508.db2.gz YKOSJQGGMUUAQH-UHFFFAOYSA-N -2 0 247.206 2.046 20 0 BEADRL [S-]c1cc([S-])cc(NCC2OCCO2)c1 ZINC001169065318 969378364 /nfs/dbraw/zinc/37/83/64/969378364.db2.gz CSHVAOLIWIDGDE-UHFFFAOYSA-N -2 0 243.353 2.049 20 0 BEADRL C[C@@H](Oc1[n-]c(=O)nc2[nH]ccc21)C1=CC=C[CH]1 ZINC001227270798 975347967 /nfs/dbraw/zinc/34/79/67/975347967.db2.gz LPMIPVJDOMJOEJ-MRVPVSSYSA-N -2 0 242.258 2.131 20 0 BEADRL O=C([O-])c1cc(Nc2ccco2)cc(C(=O)[O-])c1 ZINC001176237893 978006673 /nfs/dbraw/zinc/00/66/73/978006673.db2.gz DRJVCGLTAADFIK-UHFFFAOYSA-N -2 0 247.206 2.420 20 0 BEADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1cccnc1 ZINC001239568068 980752431 /nfs/dbraw/zinc/75/24/31/980752431.db2.gz XYHAJIVMKZERBQ-UHFFFAOYSA-N -2 0 243.218 2.145 20 0 BEADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1nccs1 ZINC001242895795 984251081 /nfs/dbraw/zinc/25/10/81/984251081.db2.gz CMWMYRJMTUUTLX-UHFFFAOYSA-N -2 0 249.247 2.207 20 0 BEADRL C[C@@H](CCO)Nc1cc([S-])cc([S-])c1 ZINC001165939417 966210707 /nfs/dbraw/zinc/21/07/07/966210707.db2.gz VGGAMNLCDRXPJZ-ZETCQYMHSA-N -2 0 229.370 2.447 20 0 BEADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1ccoc1 ZINC001239687779 967076837 /nfs/dbraw/zinc/07/68/37/967076837.db2.gz DPTQLOZLIWDOGI-UHFFFAOYSA-N -2 0 232.191 2.343 20 0 BEADRL C[C@@H]1CC[C@H](OCCCC[P@@](=O)([O-])O)C1 ZINC001225023209 974148539 /nfs/dbraw/zinc/14/85/39/974148539.db2.gz VZOMBIBTWQPENY-ZJUUUORDSA-N -2 0 236.248 2.150 20 0 BEADRL O=C([O-])c1ccccc1-n1[n-]c(C2CC2)cc1=O ZINC001245910950 987132812 /nfs/dbraw/zinc/13/28/12/987132812.db2.gz OTOAAXIXVSSFIJ-UHFFFAOYSA-N -2 0 244.250 2.154 20 0 BEADRL CC(C)c1cc(=O)n(-c2cccc(C(=O)[O-])c2)[n-]1 ZINC001245917520 987147889 /nfs/dbraw/zinc/14/78/89/987147889.db2.gz LPCYZBIXXRNPCO-UHFFFAOYSA-N -2 0 246.266 2.400 20 0 BEADRL Cc1[n-]n(-c2cccc(C(=O)[O-])c2C)c(=O)c1C ZINC000634633482 343044380 /nfs/dbraw/zinc/04/43/80/343044380.db2.gz XNSYCEMSIGKOFB-SSDOTTSWSA-N -2 0 246.266 2.052 20 0 BEADRL O=C([O-])Nc1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000833283527 587704611 /nfs/dbraw/zinc/70/46/11/587704611.db2.gz LOGYEOWVKYHMGM-UHFFFAOYSA-N -2 0 249.144 2.494 20 0 BEADRL C[C@@H]1CC[C@@H](OCCCC[P@@](=O)([O-])O)C1 ZINC001225023200 974149720 /nfs/dbraw/zinc/14/97/20/974149720.db2.gz VZOMBIBTWQPENY-NXEZZACHSA-N -2 0 236.248 2.150 20 0 BEADRL [S-]c1cc([S-])cc(NCC2COC2)c1 ZINC001161951262 964834391 /nfs/dbraw/zinc/83/43/91/964834391.db2.gz HFDSEMLZVXXWNY-UHFFFAOYSA-N -2 0 227.354 2.322 20 0 BEADRL O=P([O-])([O-])c1ccc(C2=CCCC2)cc1 ZINC001239789900 980929951 /nfs/dbraw/zinc/92/99/51/980929951.db2.gz YXTNCCIRUUOTLC-UHFFFAOYSA-N -2 0 224.196 2.057 20 0 BEADRL Cc1occc1-c1ccc(P(=O)([O-])[O-])cc1 ZINC001243063922 984459400 /nfs/dbraw/zinc/45/94/00/984459400.db2.gz JLDJQZVVFMVAOK-UHFFFAOYSA-N -2 0 238.179 2.058 20 0 BEADRL Cc1[n-]n(-c2ccc(C)c(C(=O)[O-])c2)c(=O)c1C ZINC001594113276 998223974 /nfs/dbraw/zinc/22/39/74/998223974.db2.gz HIVYTJCSKSCNTM-QMMMGPOBSA-N -2 0 246.266 2.052 20 0 BEADRL