smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1c(Br)cc(Cl)cc1CN1CCCC[C@@H](F)C1 ZINC001141367539 1025029392 /nfs/dbraw/zinc/02/93/92/1025029392.db2.gz DTBIHNNFFFTFMB-LLVKDONJSA-N -1 0 336.632 4.132 20 10 EICDRM [O-]c1c(Br)cc(Cl)cc1CN1CCC(F)(F)CC1 ZINC000708074834 1026840744 /nfs/dbraw/zinc/84/07/44/1026840744.db2.gz HPDULRCBWNTLSC-UHFFFAOYSA-N -1 0 340.595 4.039 20 10 EICDRM CCN(Cc1cc(Cl)cc(Br)c1[O-])CC(F)(F)F ZINC000708141617 1027601733 /nfs/dbraw/zinc/60/17/33/1027601733.db2.gz TVTSHPUGRAFAFI-UHFFFAOYSA-N -1 0 346.574 4.192 20 10 EICDRM Oc1cccc(Cl)c1CN1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000768531177 1045815100 /nfs/dbraw/zinc/81/51/00/1045815100.db2.gz VBWHLLFKUGLGBT-QGZVFWFLSA-N -1 0 338.234 4.273 20 10 EICDRM CC[C@H](N[C@@H](C)c1cc(Br)cc(F)c1[O-])C(F)(F)F ZINC000786974159 1046887018 /nfs/dbraw/zinc/88/70/18/1046887018.db2.gz NSMLAWSMILFUMY-WKEGUHRASA-N -1 0 344.146 4.285 20 10 EICDRM C[C@@H](N[C@@H]1CCCC1(F)F)c1cc(Br)cc(F)c1[O-] ZINC000806179231 1047203154 /nfs/dbraw/zinc/20/31/54/1047203154.db2.gz BLLZXQBGMORRPY-RDDDGLTNSA-N -1 0 338.167 4.132 20 10 EICDRM CC(C)Cn1ncc(N[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1C1CC1 ZINC000806180928 1047204276 /nfs/dbraw/zinc/20/42/76/1047204276.db2.gz JZYHEJLQMTVLRT-GFCCVEGCSA-N -1 0 344.415 4.203 20 10 EICDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])Nc1cccnc1Cl ZINC000806225780 1047209406 /nfs/dbraw/zinc/20/94/06/1047209406.db2.gz AKAVQUBJAVETJV-UHFFFAOYSA-N -1 0 346.601 4.069 20 10 EICDRM C[C@@H](N[C@@H](C)C(F)(F)F)c1cc(Br)cc(Cl)c1[O-] ZINC000806660898 1047338700 /nfs/dbraw/zinc/33/87/00/1047338700.db2.gz QWNOABYCIPLLLA-RITPCOANSA-N -1 0 346.574 4.410 20 10 EICDRM Cc1[nH]c2ccccc2c1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807838855 1047511872 /nfs/dbraw/zinc/51/18/72/1047511872.db2.gz AMDZPARJMALHJL-UHFFFAOYSA-N -1 0 349.217 4.419 20 10 EICDRM O=C(CCCC(F)(F)F)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807835595 1047520728 /nfs/dbraw/zinc/52/07/28/1047520728.db2.gz IVAIJUOQODNEND-UHFFFAOYSA-N -1 0 330.133 4.048 20 10 EICDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1nccc2ccccc21 ZINC000807837296 1047522474 /nfs/dbraw/zinc/52/24/74/1047522474.db2.gz KNAHGBFOJYFSKO-UHFFFAOYSA-N -1 0 347.201 4.177 20 10 EICDRM [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000816483522 1048812497 /nfs/dbraw/zinc/81/24/97/1048812497.db2.gz VLDDPCKGHBJTES-UHFFFAOYSA-N -1 0 333.790 4.180 20 10 EICDRM O=C(c1ccccc1)C1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816483045 1048813227 /nfs/dbraw/zinc/81/32/27/1048813227.db2.gz CIIRBQDZNJRUIK-UHFFFAOYSA-N -1 0 347.817 4.280 20 10 EICDRM CN(Cc1ccn(-c2ccccc2)n1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816493480 1048814074 /nfs/dbraw/zinc/81/40/74/1048814074.db2.gz DAVBNDLUOZMPGN-UHFFFAOYSA-N -1 0 345.805 4.002 20 10 EICDRM O=C([O-])/C=C\c1ccc(N2CCC[C@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000920961854 1048821694 /nfs/dbraw/zinc/82/16/94/1048821694.db2.gz YQAAFQNCXQSFFP-QPBFKRLHSA-N -1 0 344.392 4.096 20 10 EICDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])Nc1ccccc1F ZINC000806098520 1049046760 /nfs/dbraw/zinc/04/67/60/1049046760.db2.gz YSTOALYVPYSJHE-UHFFFAOYSA-N -1 0 329.158 4.160 20 10 EICDRM O=C(/C=C\c1cccs1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000813686328 1049808661 /nfs/dbraw/zinc/80/86/61/1049808661.db2.gz ZHTNEXXVFUMUNV-ARJAWSKDSA-N -1 0 328.220 4.090 20 10 EICDRM CC1(C)C[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])c2cc(F)ccc2O1 ZINC001179085870 1050629580 /nfs/dbraw/zinc/62/95/80/1050629580.db2.gz HVXKDIMYQSTTFD-OAHLLOKOSA-N -1 0 337.341 4.202 20 10 EICDRM Nc1ccc(CCc2ccc(Nc3ccc(CC(=O)[O-])cc3)cc2)cc1 ZINC001174953988 1051272194 /nfs/dbraw/zinc/27/21/94/1051272194.db2.gz WTJZQLSTFHEVFW-UHFFFAOYSA-N -1 0 346.430 4.425 20 10 EICDRM O=C(Nc1ccc2cc(F)ccc2c1)c1cc(O)c([O-])c(Cl)c1 ZINC001193625564 1051957067 /nfs/dbraw/zinc/95/70/67/1051957067.db2.gz PLGJABNJPFJVDE-UHFFFAOYSA-N -1 0 331.730 4.296 20 10 EICDRM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000872359225 1054439487 /nfs/dbraw/zinc/43/94/87/1054439487.db2.gz WOWPEZQHWVXLAT-UHFFFAOYSA-N -1 0 345.367 4.155 20 10 EICDRM C[C@@H](Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(F)cc1O ZINC000186317140 1055353238 /nfs/dbraw/zinc/35/32/38/1055353238.db2.gz OXZVBLDFMITHHR-DYVFJYSZSA-N -1 0 331.387 4.262 20 10 EICDRM CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])CCC2 ZINC000765814218 1055481849 /nfs/dbraw/zinc/48/18/49/1055481849.db2.gz COTYSSQKZCBCDI-MEDUHNTESA-N -1 0 335.398 4.176 20 10 EICDRM O=C([O-])[C@@H]1CCCCCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000277450572 1026057654 /nfs/dbraw/zinc/05/76/54/1026057654.db2.gz UZXROJBAJVJEPR-TZMCWYRMSA-N -1 0 346.254 4.212 20 10 EICDRM COc1cc(Br)cc(N[C@H](C)c2ccc(F)cc2O)c1 ZINC000169004777 1035809711 /nfs/dbraw/zinc/80/97/11/1035809711.db2.gz BLOLZQYAYQIUKK-SECBINFHSA-N -1 0 340.192 4.476 20 10 EICDRM Cc1c(F)c(Br)ccc1NCc1ccc(F)c(F)c1[O-] ZINC000703327776 1044121504 /nfs/dbraw/zinc/12/15/04/1044121504.db2.gz JUVOXMGWWCOOHJ-UHFFFAOYSA-N -1 0 346.146 4.493 20 10 EICDRM Cc1cc(Br)cc(NCc2ccc(F)c(F)c2[O-])c1 ZINC000703349335 1044129461 /nfs/dbraw/zinc/12/94/61/1044129461.db2.gz WIPFBXQUMIPKEY-UHFFFAOYSA-N -1 0 328.156 4.353 20 10 EICDRM Cc1cc(NCc2ccc(F)c(F)c2[O-])ccc1Br ZINC000703345797 1044130168 /nfs/dbraw/zinc/13/01/68/1044130168.db2.gz AUVWMQVPSXNSED-UHFFFAOYSA-N -1 0 328.156 4.353 20 10 EICDRM [O-]c1c(Cl)cc(Cl)cc1CNc1ccn(-c2ccccc2)n1 ZINC000769399751 1045949624 /nfs/dbraw/zinc/94/96/24/1045949624.db2.gz SEVSAFNLZKJSAW-UHFFFAOYSA-N -1 0 334.206 4.497 20 10 EICDRM [O-]c1c(Cl)cc(Cl)cc1CN1CCOC[C@@H]1c1ccccc1 ZINC000769504720 1046002059 /nfs/dbraw/zinc/00/20/59/1046002059.db2.gz YHKSIAKUALOJRA-MRXNPFEDSA-N -1 0 338.234 4.273 20 10 EICDRM Cc1cccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000804892502 1046829582 /nfs/dbraw/zinc/82/95/82/1046829582.db2.gz DKDRSZFYPDYPKA-UHFFFAOYSA-N -1 0 339.222 4.007 20 10 EICDRM C[C@@H](N[C@H]1CCCC1(F)F)c1cc(Br)cc(F)c1[O-] ZINC000806179230 1047204144 /nfs/dbraw/zinc/20/41/44/1047204144.db2.gz BLLZXQBGMORRPY-HQJQHLMTSA-N -1 0 338.167 4.132 20 10 EICDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])Nc1ccc(Cl)cn1 ZINC000806432753 1047256065 /nfs/dbraw/zinc/25/60/65/1047256065.db2.gz ASHZYZCIHYRYKX-UHFFFAOYSA-N -1 0 346.601 4.069 20 10 EICDRM CC(C)(CC(=O)NCc1cc(Cl)cc(Cl)c1[O-])C(F)(F)F ZINC000807836639 1047520304 /nfs/dbraw/zinc/52/03/04/1047520304.db2.gz IJKBQZWWUWRSPP-UHFFFAOYSA-N -1 0 344.160 4.294 20 10 EICDRM O=[N+]([O-])c1cc(Cl)cc(CNc2ccc([C@H]3CCOC3)cc2)c1[O-] ZINC000815154016 1048352259 /nfs/dbraw/zinc/35/22/59/1048352259.db2.gz LKZBXNBSDOMLJC-LBPRGKRZSA-N -1 0 348.786 4.070 20 10 EICDRM [O-]c1cc(F)c(Br)cc1CN1CC[C@@H]1c1ccccc1 ZINC001144306553 1048581935 /nfs/dbraw/zinc/58/19/35/1048581935.db2.gz GSVPWHKGBIOTAU-OAHLLOKOSA-N -1 0 336.204 4.241 20 10 EICDRM [O-]c1cc(F)c(Cl)cc1C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000816603160 1048842015 /nfs/dbraw/zinc/84/20/15/1048842015.db2.gz AUILFPCCDXIAPX-UHFFFAOYSA-N -1 0 325.733 4.349 20 10 EICDRM Cc1ccc(CCC(=O)NCc2cc(Cl)cc(Cl)c2[O-])s1 ZINC000811529675 1049110226 /nfs/dbraw/zinc/11/02/26/1049110226.db2.gz PITLRGHXKKJORB-UHFFFAOYSA-N -1 0 344.263 4.318 20 10 EICDRM Cc1ccc(NCc2ccc(Cl)cc2O)cc1NC(=O)N(C)C ZINC001181134373 1051161891 /nfs/dbraw/zinc/16/18/91/1051161891.db2.gz LWVIPKSOBWHWGT-UHFFFAOYSA-N -1 0 333.819 4.060 20 10 EICDRM CC1=C(Br)CN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001181267307 1051194272 /nfs/dbraw/zinc/19/42/72/1051194272.db2.gz QEXKZBPZFJJOMK-UHFFFAOYSA-N -1 0 334.616 4.059 20 10 EICDRM Nc1ccc(Cc2ccccc2Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001175223315 1051453539 /nfs/dbraw/zinc/45/35/39/1051453539.db2.gz NGKUJHMEPYCGHR-UHFFFAOYSA-N -1 0 336.366 4.441 20 10 EICDRM [O-]c1c(Cl)cc(Cl)cc1CN1CCc2ccc(F)cc2C1 ZINC001203582035 1051945196 /nfs/dbraw/zinc/94/51/96/1051945196.db2.gz NGRUEDUWHFTUDH-UHFFFAOYSA-N -1 0 326.198 4.396 20 10 EICDRM O=C(Nc1cc(Cl)cc2[nH]ccc21)c1cc(O)c([O-])c(Cl)c1 ZINC001193624706 1051956551 /nfs/dbraw/zinc/95/65/51/1051956551.db2.gz JXDSYLAIPBYASG-UHFFFAOYSA-N -1 0 337.162 4.138 20 10 EICDRM Cc1cccc(C)c1S(=O)(=O)Nc1cc(Cl)c([O-])cc1Cl ZINC001194639935 1052183936 /nfs/dbraw/zinc/18/39/36/1052183936.db2.gz WSCFFQNZGKNDMK-UHFFFAOYSA-N -1 0 346.235 4.117 20 10 EICDRM O=[N+]([O-])c1ccc([O-])c(CNc2ccc(F)c(C(F)(F)F)c2)c1 ZINC000864002715 1053125507 /nfs/dbraw/zinc/12/55/07/1053125507.db2.gz OBMKVIUVXOQUMU-UHFFFAOYSA-N -1 0 330.237 4.070 20 10 EICDRM CN(Cc1nc2ccccc2s1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775644654 1053337077 /nfs/dbraw/zinc/33/70/77/1053337077.db2.gz QISJGYIJHHYNFU-UHFFFAOYSA-N -1 0 336.819 4.426 20 10 EICDRM COC(C)(C)c1nsc(NCc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000865295394 1053470722 /nfs/dbraw/zinc/47/07/22/1053470722.db2.gz GBFCNARRYMIMJS-UHFFFAOYSA-N -1 0 348.255 4.044 20 10 EICDRM C[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])C[C@@H](c2ccsc2)O1 ZINC000775725723 1053696453 /nfs/dbraw/zinc/69/64/53/1053696453.db2.gz MSIADXWECRYDAZ-BMIGLBTASA-N -1 0 341.835 4.208 20 10 EICDRM O=S(=O)([N-]c1ccco1)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197161916 1053846165 /nfs/dbraw/zinc/84/61/65/1053846165.db2.gz NMLXBWZGFCFPHJ-ISLYRVAYSA-N -1 0 327.365 4.496 20 10 EICDRM Cc1c(F)cccc1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000857507396 1054288141 /nfs/dbraw/zinc/28/81/41/1054288141.db2.gz FHHNBQFNKAWZHY-UHFFFAOYSA-N -1 0 328.170 4.077 20 10 EICDRM [O-]c1c(Cl)cc(Cl)cc1CNc1ccc2c(c1)OCCO2 ZINC000021037288 1054793860 /nfs/dbraw/zinc/79/38/60/1054793860.db2.gz ULAIRGDUESUMHA-UHFFFAOYSA-N -1 0 326.179 4.082 20 10 EICDRM [O-]c1c(F)cc(Cl)cc1CN[C@H](c1nccs1)C(F)(F)F ZINC000862432076 1055066840 /nfs/dbraw/zinc/06/68/40/1055066840.db2.gz QPTMRBJICBAXJH-SNVBAGLBSA-N -1 0 340.729 4.034 20 10 EICDRM [O-]c1ccc(Cl)c(F)c1CN[C@@H](c1nccs1)C(F)(F)F ZINC000862432065 1055066976 /nfs/dbraw/zinc/06/69/76/1055066976.db2.gz QFELEJVMPVPZTA-JTQLQIEISA-N -1 0 340.729 4.034 20 10 EICDRM CC(C)n1cc2c(n1)[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])CCC2 ZINC000765814219 1055481287 /nfs/dbraw/zinc/48/12/87/1055481287.db2.gz COTYSSQKZCBCDI-ZBEGNZNMSA-N -1 0 335.398 4.176 20 10 EICDRM [O-]c1c(Br)cc(Cl)cc1CN1CCCC[C@H](F)C1 ZINC001141367540 1025028568 /nfs/dbraw/zinc/02/85/68/1025028568.db2.gz DTBIHNNFFFTFMB-NSHDSACASA-N -1 0 336.632 4.132 20 10 EICDRM C[C@@H](Nc1cccc(CCO)c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000834913425 1023410667 /nfs/dbraw/zinc/41/06/67/1023410667.db2.gz PKCZKZOEAHFVOL-SNVBAGLBSA-N -1 0 326.223 4.407 20 10 EICDRM [O-]c1c(Br)cc(Cl)cc1CN1CCCC(F)(F)C1 ZINC000708074413 1026840728 /nfs/dbraw/zinc/84/07/28/1026840728.db2.gz BVEPRKFVQCMCSP-UHFFFAOYSA-N -1 0 340.595 4.039 20 10 EICDRM O=C(Nc1cccc(N2CCCCCC2)c1)c1cc(F)c([O-])c(F)c1 ZINC000177171574 1031384052 /nfs/dbraw/zinc/38/40/52/1031384052.db2.gz KGIWERNKCGBPDP-UHFFFAOYSA-N -1 0 346.377 4.303 20 10 EICDRM CC(C)C(=O)Nc1cccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273466253 1037475211 /nfs/dbraw/zinc/47/52/11/1037475211.db2.gz IWKNRNCRTPZCJG-LBPRGKRZSA-N -1 0 343.383 4.068 20 10 EICDRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1nc(-c2ccccc2)cs1 ZINC000915290803 1045247923 /nfs/dbraw/zinc/24/79/23/1045247923.db2.gz UJDGOUUVNJTRMJ-UHFFFAOYSA-N -1 0 348.424 4.058 20 10 EICDRM CCOc1ccc(NCc2cc(Cl)cc(Cl)c2[O-])cc1CO ZINC000237021385 1045373621 /nfs/dbraw/zinc/37/36/21/1045373621.db2.gz WZAWEDWPOZORBC-UHFFFAOYSA-N -1 0 342.222 4.202 20 10 EICDRM CC[C@H](Nc1cn(C)nc1OC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806161389 1047184772 /nfs/dbraw/zinc/18/47/72/1047184772.db2.gz KGQDMRYLMXNKTR-NSHDSACASA-N -1 0 330.215 4.004 20 10 EICDRM CC(C)c1ccc(S(=O)(=O)[N-]c2nc(-c3ccco3)cs2)cc1 ZINC000917897716 1047199593 /nfs/dbraw/zinc/19/95/93/1047199593.db2.gz INMDUMPDYVGAEC-UHFFFAOYSA-N -1 0 348.449 4.327 20 10 EICDRM C[C@H](N[C@@H]1CCCC1(F)F)c1cc(Br)cc(F)c1[O-] ZINC000806179232 1047203627 /nfs/dbraw/zinc/20/36/27/1047203627.db2.gz BLLZXQBGMORRPY-WRWORJQWSA-N -1 0 338.167 4.132 20 10 EICDRM CCc1csc(NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000806315656 1047228773 /nfs/dbraw/zinc/22/87/73/1047228773.db2.gz MUUVASKYMDBGHG-UHFFFAOYSA-N -1 0 346.239 4.040 20 10 EICDRM C[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1[O-])c1ccsc1 ZINC000807840290 1047513104 /nfs/dbraw/zinc/51/31/04/1047513104.db2.gz XHPRSRXQEUHWIH-QMMMGPOBSA-N -1 0 330.236 4.180 20 10 EICDRM O=C(/C=C/c1ccsc1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807838025 1047522808 /nfs/dbraw/zinc/52/28/08/1047522808.db2.gz HMTVIRKXJMDRJJ-OWOJBTEDSA-N -1 0 328.220 4.090 20 10 EICDRM COc1cc(C)sc1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807837715 1047523649 /nfs/dbraw/zinc/52/36/49/1047523649.db2.gz BLHRBUKODLQFQA-UHFFFAOYSA-N -1 0 346.235 4.008 20 10 EICDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1c(F)cccc1Cl ZINC000807839509 1047523691 /nfs/dbraw/zinc/52/36/91/1047523691.db2.gz GMQWEOKAZWTZNP-UHFFFAOYSA-N -1 0 348.588 4.422 20 10 EICDRM C[C@@H](CCC1CC1)NC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805295879 1047526345 /nfs/dbraw/zinc/52/63/45/1047526345.db2.gz ATSXGFBPBUACKO-VIFPVBQESA-N -1 0 331.243 4.077 20 10 EICDRM O=[N+]([O-])c1ccc([O-])c(CNc2ccc(Oc3cccnc3)cc2)c1 ZINC000808448581 1047911351 /nfs/dbraw/zinc/91/13/51/1047911351.db2.gz FIPANGODWUTYNS-UHFFFAOYSA-N -1 0 337.335 4.100 20 10 EICDRM CN(Cc1nc2c(s1)CCCC2)Cc1cc(Cl)c(F)cc1[O-] ZINC000816509572 1048823488 /nfs/dbraw/zinc/82/34/88/1048823488.db2.gz VTBZSLIBEOEXMU-UHFFFAOYSA-N -1 0 340.851 4.152 20 10 EICDRM CSc1cccc(F)c1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816608006 1048843681 /nfs/dbraw/zinc/84/36/81/1048843681.db2.gz MEDZVANJDVPAHW-UHFFFAOYSA-N -1 0 329.799 4.336 20 10 EICDRM CNC(=O)Oc1cccc(NCc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000813791315 1049817068 /nfs/dbraw/zinc/81/70/68/1049817068.db2.gz GFRNQIOLZMLIBW-UHFFFAOYSA-N -1 0 341.194 4.029 20 10 EICDRM O=S(=O)([N-]c1ccc(/N=N/c2ccccc2)cc1)c1nccs1 ZINC001187891194 1050645848 /nfs/dbraw/zinc/64/58/48/1050645848.db2.gz QVCXCRMPAQVLNB-ISLYRVAYSA-N -1 0 344.421 4.359 20 10 EICDRM O=C(Nc1cccc2c(Cl)ccnc12)c1cc(O)c([O-])c(Cl)c1 ZINC001193625729 1051956089 /nfs/dbraw/zinc/95/60/89/1051956089.db2.gz RIDLVWZZZNADHF-UHFFFAOYSA-N -1 0 349.173 4.205 20 10 EICDRM CCCc1nc2ccc(NC(=O)c3cc(O)c([O-])c(Cl)c3)cc2o1 ZINC001193624423 1051956820 /nfs/dbraw/zinc/95/68/20/1051956820.db2.gz DKIOZYLYWJUPEG-UHFFFAOYSA-N -1 0 346.770 4.097 20 10 EICDRM O=C([O-])C[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C1CCCC1 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Cc1cnc([N-]S(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)o1 ZINC001197148928 1053844799 /nfs/dbraw/zinc/84/47/99/1053844799.db2.gz XIQHIPUFWQNGCF-VHEBQXMUSA-N -1 0 342.380 4.199 20 10 EICDRM C[C@@H](CC(=O)NCc1cc(Cl)cc(Cl)c1[O-])c1ccco1 ZINC000529391664 1032341130 /nfs/dbraw/zinc/34/11/30/1032341130.db2.gz ILBYROGDZYHYQG-VIFPVBQESA-N -1 0 328.195 4.102 20 10 EICDRM C[C@H](Nc1ccc2c(c1)CCCC(=O)N2)c1ccc(F)c(F)c1[O-] ZINC000187899179 1030376201 /nfs/dbraw/zinc/37/62/01/1030376201.db2.gz XPEQPXKHTLUDPH-JTQLQIEISA-N -1 0 332.350 4.118 20 10 EICDRM Cc1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000806089846 1047114385 /nfs/dbraw/zinc/11/43/85/1047114385.db2.gz GGWOMLJMADIKPJ-UHFFFAOYSA-N -1 0 325.195 4.329 20 10 EICDRM Cc1cc(C)c(S(=O)(=O)[N-]c2nc(-c3ccco3)cs2)c(C)c1 ZINC000917898428 1047199696 /nfs/dbraw/zinc/19/96/96/1047199696.db2.gz XTNDRZUUUVZTQQ-UHFFFAOYSA-N -1 0 348.449 4.129 20 10 EICDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1cc(Cl)ccc1F ZINC000807840106 1047512088 /nfs/dbraw/zinc/51/20/88/1047512088.db2.gz YRITURCMUCFMHE-UHFFFAOYSA-N -1 0 348.588 4.422 20 10 EICDRM CCOc1cccc(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000807839961 1047512700 /nfs/dbraw/zinc/51/27/00/1047512700.db2.gz NYNNMGIHVOWSKH-UHFFFAOYSA-N -1 0 340.206 4.028 20 10 EICDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1cc2ccccc2[nH]1 ZINC000807834082 1047519917 /nfs/dbraw/zinc/51/99/17/1047519917.db2.gz IKOAQEJSQCDOKK-UHFFFAOYSA-N -1 0 335.190 4.110 20 10 EICDRM CCn1ccnc1[C@H]1CCCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816598340 1048840610 /nfs/dbraw/zinc/84/06/10/1048840610.db2.gz YAZDQYCEHKGJDD-OAHLLOKOSA-N -1 0 337.826 4.128 20 10 EICDRM COC(=O)c1cccc(NCc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000036890846 1049646918 /nfs/dbraw/zinc/64/69/18/1049646918.db2.gz NZACOCSLGRXBEO-UHFFFAOYSA-N -1 0 326.179 4.098 20 10 EICDRM [O-]c1c(CN2CCc3c2cccc3C(F)(F)F)ccc(F)c1F ZINC001180740000 1051070094 /nfs/dbraw/zinc/07/00/94/1051070094.db2.gz JESKAFMGBJHHOS-UHFFFAOYSA-N -1 0 329.268 4.252 20 10 EICDRM Cc1cc(C)n(-c2ccc(NCc3ccc(F)c(F)c3[O-])cc2F)n1 ZINC000864026052 1053162065 /nfs/dbraw/zinc/16/20/65/1053162065.db2.gz VIRUWAQBCUDHCI-UHFFFAOYSA-N -1 0 347.340 4.224 20 10 EICDRM CCOc1cc2c(cc1NCc1ccc(F)c(F)c1[O-])O[C@@H](C)C2 ZINC000864027276 1053164906 /nfs/dbraw/zinc/16/49/06/1053164906.db2.gz YNHGLGUAITWYAI-JTQLQIEISA-N -1 0 335.350 4.005 20 10 EICDRM C[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])C[C@H](c2ccccc2)O1 ZINC000775661058 1053428568 /nfs/dbraw/zinc/42/85/68/1053428568.db2.gz IASKGRKTAXQQJY-SJKOYZFVSA-N -1 0 335.806 4.147 20 10 EICDRM CCc1ccc(CC(=O)NCc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000857508394 1054287402 /nfs/dbraw/zinc/28/74/02/1054287402.db2.gz RCLVMCJCCYDWJB-UHFFFAOYSA-N -1 0 338.234 4.120 20 10 EICDRM