smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Cl)cc(C)c1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000006922093 201706706 /nfs/dbraw/zinc/70/67/06/201706706.db2.gz VWBOYSPRMRBPBD-UHFFFAOYSA-N -1 1 330.236 4.411 40 0 EIABMM CC(=O)c1cccc(-c2ccc(C=C3SC(=S)[N-]C3=O)o2)c1 ZINC000016322035 257857413 /nfs/dbraw/zinc/85/74/13/257857413.db2.gz DUMITMSQFCHZHK-ZSOIEALJSA-N -1 1 329.402 4.478 40 0 EIABMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc3ccccc32)c(C)c1 ZINC000225354042 564046142 /nfs/dbraw/zinc/04/61/42/564046142.db2.gz NXYQFRDOQQYFJQ-UHFFFAOYSA-N -1 1 341.432 4.266 40 0 EIABMM CCCCCCS(=O)(=O)[N-]c1cc(-c2ccccc2)ccc1O ZINC000005259954 563524492 /nfs/dbraw/zinc/52/44/92/563524492.db2.gz ITMHNOLMYFSGMZ-UHFFFAOYSA-N -1 1 333.453 4.381 40 0 EIABMM [O-]C([C@H](c1ccccc1)c1ccccn1)(C(F)(F)F)C(F)(F)F ZINC000005593625 563541870 /nfs/dbraw/zinc/54/18/70/563541870.db2.gz MZKFAGUFRUEPCT-GFCCVEGCSA-N -1 1 335.247 4.069 40 0 EIABMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1 ZINC000096659727 563981020 /nfs/dbraw/zinc/98/10/20/563981020.db2.gz HELZKLNCNHAUHI-UHFFFAOYSA-N -1 1 334.199 4.242 40 0 EIABMM COc1ccc(Cl)cc1CNn1c(=S)[n-]nc1-c1ccccc1 ZINC000008493039 564016255 /nfs/dbraw/zinc/01/62/55/564016255.db2.gz CSJCJGGGYYCYGZ-UHFFFAOYSA-N -1 1 346.843 4.013 40 0 EIABMM COc1ccc2cc(S(=O)(=O)[N-]c3ccc(C)cc3C)ccc2c1 ZINC000224584605 564043162 /nfs/dbraw/zinc/04/31/62/564043162.db2.gz BUQICHOCUWWRDQ-UHFFFAOYSA-N -1 1 341.432 4.266 40 0 EIABMM CCSc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000225595493 564048194 /nfs/dbraw/zinc/04/81/94/564048194.db2.gz YZCPNYXFLWUCHV-UHFFFAOYSA-N -1 1 325.430 4.047 40 0 EIABMM Cc1cccc(Cn2cc(C=C3SC(=O)[N-]C3=O)c3ccccc32)c1 ZINC000033594620 564050190 /nfs/dbraw/zinc/05/01/90/564050190.db2.gz XFUPANYQJACQCG-VCHYOVAHSA-N -1 1 348.427 4.322 40 0 EIABMM O=C([O-])c1ccccc1-c1ccc(CN2CCC[C@H]2c2ccccn2)o1 ZINC000257264691 244357571 /nfs/dbraw/zinc/35/75/71/244357571.db2.gz LVRDLDDJHGZKPX-IBGZPJMESA-N -1 1 348.402 4.377 40 0 EIABMM Cc1cc2c(cc1C)NC1=C([O-])[C@H](c3ccccc3Cl)OC1=N2 ZINC000103963904 204091169 /nfs/dbraw/zinc/09/11/69/204091169.db2.gz ZAXPPBWSPNFTPL-WBVHZDCISA-N -1 1 326.783 4.122 40 0 EIABMM COc1ccc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)ccc2c1 ZINC000225823333 537039321 /nfs/dbraw/zinc/03/93/21/537039321.db2.gz JYHYLGRHZUAROJ-UHFFFAOYSA-N -1 1 347.823 4.303 40 0 EIABMM Cc1cccc(-n2c([O-])cc(=O)n(-c3cccc4ccccc43)c2=O)c1 ZINC000001086666 564012980 /nfs/dbraw/zinc/01/29/80/564012980.db2.gz IDZIAJPIYWZMRV-UHFFFAOYSA-N -1 1 344.370 4.038 40 0 EIABMM CSc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C)cc1C ZINC000223433824 564039961 /nfs/dbraw/zinc/03/99/61/564039961.db2.gz MLBXLNOMAVMXCT-UHFFFAOYSA-N -1 1 341.885 4.480 40 0 EIABMM CCCCCN1C(=O)S/C(=C\c2ccc([O-])c(Cl)c2)C1=O ZINC000409216350 564011150 /nfs/dbraw/zinc/01/11/50/564011150.db2.gz KDCKKGUVGFXKHB-LCYFTJDESA-N -1 1 325.817 4.272 40 0 EIABMM CSc1ccc(CNn2c(=S)[n-]nc2-c2ccccc2)cc1 ZINC000008496876 564016273 /nfs/dbraw/zinc/01/62/73/564016273.db2.gz UTAAOTKGOKUHBW-UHFFFAOYSA-N -1 1 328.466 4.073 40 0 EIABMM CCCC[C@H](NCOCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000390822546 564138400 /nfs/dbraw/zinc/13/84/00/564138400.db2.gz CLUDJBVLJWAQJT-FQEVSTJZSA-N -1 1 339.435 4.006 40 0 EIABMM O=c1cc(-c2ccccc2)nc(Nc2nc(-c3ccccc3)cs2)[n-]1 ZINC000019819615 202021824 /nfs/dbraw/zinc/02/18/24/202021824.db2.gz VLEFDLHCVGLPLP-UHFFFAOYSA-N -1 1 346.415 4.304 40 0 EIABMM CCSc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000020112014 202032796 /nfs/dbraw/zinc/03/27/96/202032796.db2.gz AKQISDSIWADHRF-UHFFFAOYSA-N -1 1 327.858 4.253 40 0 EIABMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1Cl ZINC000408588073 563486409 /nfs/dbraw/zinc/48/64/09/563486409.db2.gz XCLMIAXEWXAZQY-UHFFFAOYSA-N -1 1 346.235 4.193 40 0 EIABMM CCc1n[n-]c(=S)n1NCc1ccc(-c2cccc(Cl)c2)o1 ZINC000008339299 564016146 /nfs/dbraw/zinc/01/61/46/564016146.db2.gz SALARSLAGPASAQ-UHFFFAOYSA-N -1 1 334.832 4.160 40 0 EIABMM CCCC[C@@H](NCOCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000390822547 564138405 /nfs/dbraw/zinc/13/84/05/564138405.db2.gz CLUDJBVLJWAQJT-HXUWFJFHSA-N -1 1 339.435 4.006 40 0 EIABMM C[C@@H](NCc1ccccc1)c1onc(-c2ccc(F)cc2)c1C(=O)[O-] ZINC000096297097 564146597 /nfs/dbraw/zinc/14/65/97/564146597.db2.gz PWYLGVHIGCRYQH-GFCCVEGCSA-N -1 1 340.354 4.030 40 0 biogenic,in-vitro EIABMM CCCc1nc2ccc([N-]S(=O)(=O)c3ccccc3)cc2s1 ZINC000022255078 202082587 /nfs/dbraw/zinc/08/25/87/202082587.db2.gz NCBXVKAZPNGSMW-UHFFFAOYSA-N -1 1 332.450 4.050 40 0 EIABMM Cc1ccc(-c2nnsc2C(=O)[N-]c2c(F)cccc2F)cc1 ZINC000225774441 242028583 /nfs/dbraw/zinc/02/85/83/242028583.db2.gz KOGJVDMWAKIYIQ-UHFFFAOYSA-N -1 1 331.347 4.044 40 0 EIABMM COc1ccc2cc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)ccc2c1 ZINC000223537947 564040326 /nfs/dbraw/zinc/04/03/26/564040326.db2.gz FOPFXXXLCSQJTH-UHFFFAOYSA-N -1 1 341.432 4.266 40 0 EIABMM Cc1cccc(C(C)C)c1NC(=O)c1cnc(-c2ccccc2)[n-]c1=O ZINC000019937311 202028039 /nfs/dbraw/zinc/02/80/39/202028039.db2.gz JXZABVIZWGGSLU-UHFFFAOYSA-N -1 1 347.418 4.121 40 0 EIABMM CCCc1nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2s1 ZINC000022255086 202081983 /nfs/dbraw/zinc/08/19/83/202081983.db2.gz PBZIDWCVKHYMBN-UHFFFAOYSA-N -1 1 346.477 4.358 40 0 EIABMM CCCc1n[n-]c(=S)n1NCc1ccc(-c2ccc(F)cc2)o1 ZINC000007602155 564015652 /nfs/dbraw/zinc/01/56/52/564015652.db2.gz BHPPGYSBZYZVEA-UHFFFAOYSA-N -1 1 332.404 4.036 40 0 EIABMM Cc1n[n-]c(=S)n1NCc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000007602312 564015695 /nfs/dbraw/zinc/01/56/95/564015695.db2.gz GKUUVHQFJRLZKN-UHFFFAOYSA-N -1 1 338.795 4.045 40 0 EIABMM CCc1ccc([N-]S(=O)(=O)c2ccc3cc(OC)ccc3c2)cc1 ZINC000222893675 564038284 /nfs/dbraw/zinc/03/82/84/564038284.db2.gz OSVNHENSFXAEOU-UHFFFAOYSA-N -1 1 341.432 4.212 40 0 EIABMM O=C1[N-]C(=O)C(=Cc2cccc(OCc3ccc(Cl)cc3)c2)S1 ZINC000059418637 564050712 /nfs/dbraw/zinc/05/07/12/564050712.db2.gz LTJRZRNWJPPHRZ-OQLLNIDSSA-N -1 1 345.807 4.243 40 0 EIABMM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1F ZINC000192671399 564076793 /nfs/dbraw/zinc/07/67/93/564076793.db2.gz NRYUJVFAGKLXLM-UHFFFAOYSA-N -1 1 337.416 4.067 40 0 EIABMM C[C@@H](NCc1ccc(F)cc1)c1onc(-c2ccccc2)c1C(=O)[O-] ZINC000096296884 564146592 /nfs/dbraw/zinc/14/65/92/564146592.db2.gz KDUBWKBKFQDLJC-GFCCVEGCSA-N -1 1 340.354 4.030 40 0 biogenic,in-vitro EIABMM Cc1ccc2nc(-c3cc(N)cc(Br)c3[O-])oc2c1C ZINC000073634578 202369489 /nfs/dbraw/zinc/36/94/89/202369489.db2.gz UCBJRDQRRCRFQW-UHFFFAOYSA-N -1 1 333.185 4.162 40 0 EIABMM O=C([N-]Cc1ccc(-c2nc3ccccc3s2)cc1)C(F)(F)F ZINC000008053890 564015905 /nfs/dbraw/zinc/01/59/05/564015905.db2.gz ALLQDUFOXQKHLP-UHFFFAOYSA-N -1 1 336.338 4.142 40 0 EIABMM O=C1Nc2ccccc2S/C1=C\c1ccc([O-])c(Br)c1 ZINC000221247552 564028659 /nfs/dbraw/zinc/02/86/59/564028659.db2.gz NKMYZJFCXBXIIC-ZSOIEALJSA-N -1 1 348.221 4.240 40 0 EIABMM C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc([O-])c(Cl)c2)S1 ZINC000222580835 564037057 /nfs/dbraw/zinc/03/70/57/564037057.db2.gz DEEMIZKCPKMIGA-JQAFLVLXSA-N -1 1 345.855 4.030 40 0 EIABMM O=Cc1cc(-c2ccc(OCc3ccccc3)cc2C=O)ccc1[O-] ZINC000096312808 564093421 /nfs/dbraw/zinc/09/34/21/564093421.db2.gz RVOZVMMURKMRRG-UHFFFAOYSA-N -1 1 332.355 4.263 40 0 EIABMM Cc1cc2cc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)ccc2[nH]1 ZINC000031721941 564128289 /nfs/dbraw/zinc/12/82/89/564128289.db2.gz BAMZQEIJYUXQNI-UHFFFAOYSA-N -1 1 338.791 4.070 40 0 EIABMM CCC[N-]C(=S)Oc1cccc(C(=O)Nc2ccccc2Cl)c1 ZINC000003088486 564155069 /nfs/dbraw/zinc/15/50/69/564155069.db2.gz WCXVSWNXOPCEJD-UHFFFAOYSA-N -1 1 348.855 4.256 40 0 EIABMM COc1ccc(Cl)cc1N/C=C(\[O-])c1cc2ccccc2oc1=O ZINC000101174660 219118442 /nfs/dbraw/zinc/11/84/42/219118442.db2.gz YGZGMLARUOUVTB-GDNBJRDFSA-N -1 1 343.766 4.424 40 0 EIABMM CSc1ccccc1[N-]C(=O)c1snnc1-c1ccccc1 ZINC000225760613 242022309 /nfs/dbraw/zinc/02/23/09/242022309.db2.gz IOBFUJHXHGBLFG-UHFFFAOYSA-N -1 1 327.434 4.179 40 0 EIABMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1 ZINC000041091188 563924189 /nfs/dbraw/zinc/92/41/89/563924189.db2.gz CMEOPTYFOJHPIN-UHFFFAOYSA-N -1 1 334.199 4.242 40 0 EIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1C(C)C ZINC000008040931 563995413 /nfs/dbraw/zinc/99/54/13/563995413.db2.gz KOJDJIPDAAKJCT-UHFFFAOYSA-N -1 1 339.844 4.273 40 0 EIABMM CCn1c2ccccc2c2cc(CNn3c(C)n[n-]c3=S)ccc21 ZINC000007365432 564015546 /nfs/dbraw/zinc/01/55/46/564015546.db2.gz PNKBSCWMPCKVNW-UHFFFAOYSA-N -1 1 337.452 4.121 40 0 EIABMM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 ZINC000000385923 563302572 /nfs/dbraw/zinc/30/25/72/563302572.db2.gz WHONBYFXHJXDJB-UHFFFAOYSA-N -1 1 336.627 4.448 40 0 EIABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl ZINC000408587224 563486702 /nfs/dbraw/zinc/48/67/02/563486702.db2.gz SKTXYVVDQDYFQV-UHFFFAOYSA-N -1 1 346.235 4.193 40 0 EIABMM CC1(C)C=Cc2c(cc3occ(-c4ccc(O)cc4)c([O-])c-3c2=O)O1 ZINC000014417338 563758899 /nfs/dbraw/zinc/75/88/99/563758899.db2.gz RQAMSFTXEFSBPK-UHFFFAOYSA-N -1 1 336.343 4.055 40 0 biogenic,in-vitro EIABMM Nc1cc(Br)c([O-])c(-c2nc3cc(Cl)ccc3o2)c1 ZINC000073634585 563921228 /nfs/dbraw/zinc/92/12/28/563921228.db2.gz QXRATIDJTJAKHR-UHFFFAOYSA-N -1 1 339.576 4.199 40 0 EIABMM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)ccc1F ZINC000096659726 563981022 /nfs/dbraw/zinc/98/10/22/563981022.db2.gz JUPMOWSTTJOKOP-UHFFFAOYSA-N -1 1 334.199 4.242 40 0 EIABMM CCOc1cc(/C=C2/c3ccccc3N(CC)C2=O)cc(Cl)c1[O-] ZINC000409113807 564010077 /nfs/dbraw/zinc/01/00/77/564010077.db2.gz OBBWPDPLYVPNOE-ZROIWOOFSA-N -1 1 343.810 4.351 40 0 EIABMM CCc1n[n-]c(=S)n1NCc1ccc(-c2cccc(Cl)c2C)o1 ZINC000008339305 564016161 /nfs/dbraw/zinc/01/61/61/564016161.db2.gz IGMXGISIRXEHFF-UHFFFAOYSA-N -1 1 348.859 4.469 40 0 EIABMM O=C([O-])c1ccccc1-c1ccc(CN2CCc3ccccc3C2)nc1 ZINC000257305586 564055146 /nfs/dbraw/zinc/05/51/46/564055146.db2.gz SQQFAWCBDBZOHE-UHFFFAOYSA-N -1 1 344.414 4.005 40 0 EIABMM COc1cc(-c2nc3ccccc3c(=O)[n-]2)ccc1OCCC(C)C ZINC000575410839 564078887 /nfs/dbraw/zinc/07/88/87/564078887.db2.gz GACAABTXFLOMNW-UHFFFAOYSA-N -1 1 338.407 4.436 40 0 EIABMM Cc1cc(S(=O)(=O)[N-]c2cnc3ccccc3c2)c(C)c(C)c1C ZINC000072414239 216205537 /nfs/dbraw/zinc/20/55/37/216205537.db2.gz RMRBCTBGSRSNNR-UHFFFAOYSA-N -1 1 340.448 4.269 40 0 EIABMM O=C1S/C(=C/c2ccc([O-])c(Cl)c2)C(=O)N1c1ccccc1 ZINC000408901016 564007884 /nfs/dbraw/zinc/00/78/84/564007884.db2.gz BNGSXLIDMBTWFH-NTEUORMPSA-N -1 1 331.780 4.287 40 0 EIABMM COc1cc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)ccc1F ZINC000007360650 564015488 /nfs/dbraw/zinc/01/54/88/564015488.db2.gz LTPJABSJBKDVHS-UHFFFAOYSA-N -1 1 337.416 4.067 40 0 EIABMM CCCc1n[n-]c(=S)n1NCc1c(OCC)ccc2ccccc21 ZINC000007601373 564015686 /nfs/dbraw/zinc/01/56/86/564015686.db2.gz MTGMRFTZCSFVAA-UHFFFAOYSA-N -1 1 342.468 4.189 40 0 EIABMM CCSc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000225605549 564048336 /nfs/dbraw/zinc/04/83/36/564048336.db2.gz NMXGSFOQOFAFKC-UHFFFAOYSA-N -1 1 325.430 4.047 40 0 EIABMM S=c1[n-]c(-c2ccccc2Cl)nc2c1cnn2-c1ccccc1 ZINC000013534264 564074271 /nfs/dbraw/zinc/07/42/71/564074271.db2.gz JLPTVITUTADNRV-UHFFFAOYSA-N -1 1 338.823 4.425 40 0 EIABMM O=C([O-])c1cccc(CSc2nc(-c3ccccc3Cl)n[nH]2)c1 ZINC000019928148 212085765 /nfs/dbraw/zinc/08/57/65/212085765.db2.gz FLPALDGAENVPSH-UHFFFAOYSA-N -1 1 345.811 4.116 40 0 EIABMM O=C([O-])c1ccc(CSc2nc(-c3ccccc3Cl)n[nH]2)cc1 ZINC000019928151 212085408 /nfs/dbraw/zinc/08/54/08/212085408.db2.gz IIZSWEFZGCQMDP-UHFFFAOYSA-N -1 1 345.811 4.116 40 0 EIABMM S=c1[n-]ncn1NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000007602199 564015668 /nfs/dbraw/zinc/01/56/68/564015668.db2.gz FDDBAIMCWWPCHV-UHFFFAOYSA-N -1 1 341.223 4.251 40 0 EIABMM Fc1cccc(Cl)c1CNn1c(=S)[n-]nc1-c1ccccc1 ZINC000007601473 564015674 /nfs/dbraw/zinc/01/56/74/564015674.db2.gz PPUDTJKGYYLEIP-UHFFFAOYSA-N -1 1 334.807 4.144 40 0 EIABMM CCc1n[n-]c(=S)n1NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000008339282 564016142 /nfs/dbraw/zinc/01/61/42/564016142.db2.gz WAQGEFBNNSJQDW-UHFFFAOYSA-N -1 1 334.832 4.160 40 0 EIABMM CC[C@H](Sc1nc(-c2ccc(-c3ccccc3)cc2)n[nH]1)C(=O)[O-] ZINC000224975897 564044179 /nfs/dbraw/zinc/04/41/79/564044179.db2.gz HLUGOWBQZVHJHJ-HNNXBMFYSA-N -1 1 339.420 4.094 40 0 EIABMM C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc([O-])c(Cl)c2)S1 ZINC000260756095 564052520 /nfs/dbraw/zinc/05/25/20/564052520.db2.gz DEEMIZKCPKMIGA-HPEXNQPKSA-N -1 1 345.855 4.030 40 0 EIABMM CCSc1ccccc1[N-]S(=O)(=O)c1ccc(SC)cc1 ZINC000020041049 212097316 /nfs/dbraw/zinc/09/73/16/212097316.db2.gz STRCTYJCFLTFAG-UHFFFAOYSA-N -1 1 339.507 4.321 40 0 EIABMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)cc1Cl ZINC000005814954 210542644 /nfs/dbraw/zinc/54/26/44/210542644.db2.gz MCJZRANEZQOKBE-UHFFFAOYSA-N -1 1 330.236 4.411 40 0 EIABMM COc1ccc2cc(S(=O)(=O)[N-]c3cc(C)ccc3C)ccc2c1 ZINC000223768430 564040804 /nfs/dbraw/zinc/04/08/04/564040804.db2.gz QOUHSTNAXGHDNV-UHFFFAOYSA-N -1 1 341.432 4.266 40 0 EIABMM COc1cc(Nc2cc(C)nc3c(C(=O)[O-])cccc23)cc(OC)c1 ZINC000072242844 216082384 /nfs/dbraw/zinc/08/23/84/216082384.db2.gz RAAMRYGLMJDVTB-UHFFFAOYSA-N -1 1 338.363 4.002 40 0 EIABMM CCCCc1ccc(NC(=O)c2cnc(-c3ccccc3)[n-]c2=O)cc1 ZINC000019937304 212087444 /nfs/dbraw/zinc/08/74/44/212087444.db2.gz IRPWFGAXNLXRRJ-UHFFFAOYSA-N -1 1 347.418 4.032 40 0 EIABMM CCN(CC)c1ccc(Cc2c(C)[n-]n(-c3ccccc3)c2=O)cc1 ZINC000100998728 219113521 /nfs/dbraw/zinc/11/35/21/219113521.db2.gz LMGPROAZELKXSM-FQEVSTJZSA-N -1 1 335.451 4.114 40 0 EIABMM O=S(=O)([N-]c1ccc(F)cc1F)c1cc(Cl)ccc1Cl ZINC000005568072 564014108 /nfs/dbraw/zinc/01/41/08/564014108.db2.gz COBMKOVMMKMINS-UHFFFAOYSA-N -1 1 338.162 4.072 40 0 EIABMM Cc1cccc(COc2ccc(-c3nc4ccccc4c(=O)[n-]3)cc2)c1 ZINC000575410794 564078898 /nfs/dbraw/zinc/07/88/98/564078898.db2.gz APZXUTKGSYECEZ-UHFFFAOYSA-N -1 1 342.398 4.478 40 0 EIABMM c1csc([N-]c2nccc([C@@H]3CCCN3Cc3ccccc3)n2)n1 ZINC000072377363 216178989 /nfs/dbraw/zinc/17/89/89/216178989.db2.gz VLYGXCVGADCECR-INIZCTEOSA-N -1 1 337.452 4.014 40 0 EIABMM c1csc([N-]c2nccc([C@H]3CCCN3Cc3ccccc3)n2)n1 ZINC000072377362 216179131 /nfs/dbraw/zinc/17/91/31/216179131.db2.gz VLYGXCVGADCECR-MRXNPFEDSA-N -1 1 337.452 4.014 40 0 EIABMM O=C(Cc1ccccc1)Nc1ccc(-c2nc3ccccc3o2)c([O-])c1 ZINC000020158453 212107504 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