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-])/C=C/c1cccc(-c2cccc(S)c2)c1 ZINC001240549089 1130351566 /nfs/dbraw/zinc/35/15/66/1130351566.db2.gz XVFKWEYQBBJPBZ-BQYQJAHWSA-N -1 2 256.326 3.740 20 0 CHADLM [S-]c1cc(S)cc(NCc2cccc3ccnn32)c1 ZINC001170707407 1130770081 /nfs/dbraw/zinc/77/00/81/1130770081.db2.gz ONVLBIZGLADVSO-UHFFFAOYSA-N -1 2 287.413 3.524 20 0 CHADLM C[C@H]1C[N@H+](Cc2ccc(Cl)c(O)c2)CCC1(F)F ZINC001231730551 1132347266 /nfs/dbraw/zinc/34/72/66/1132347266.db2.gz CEBCWKDITHZZOY-VIFPVBQESA-N -1 2 275.726 3.523 20 0 CHADLM CC(C)C1CC[NH+](Cc2cc(O)c(F)c(F)c2)CC1 ZINC001232973418 1132551827 /nfs/dbraw/zinc/55/18/27/1132551827.db2.gz XGBAWDDQGXNXHR-UHFFFAOYSA-N -1 2 269.335 3.538 20 0 CHADLM Cc1cccc(C[N@@H+](C)Cc2cc(O)c(F)c(F)c2)c1 ZINC001232968592 1132553215 /nfs/dbraw/zinc/55/32/15/1132553215.db2.gz JEAYYYKBXAGZRJ-UHFFFAOYSA-N -1 2 277.314 3.611 20 0 CHADLM [S-]c1cc(S)cc(NC[C@@H]2Cc3ccccc3O2)c1 ZINC001163867706 1133181182 /nfs/dbraw/zinc/18/11/82/1133181182.db2.gz YUQBNKXOFODWMV-LBPRGKRZSA-N -1 2 289.425 3.680 20 0 CHADLM C[N@H+](Cc1ccc(Cl)nc1)Cc1cccc(Cl)c1O ZINC000179664276 1120251891 /nfs/dbraw/zinc/25/18/91/1120251891.db2.gz VGLSZZJRBTUBDI-UHFFFAOYSA-N -1 2 297.185 3.726 20 0 CHADLM Oc1cc(C[N@@H+]2CCC[C@H]2c2ccncc2)ccc1Cl ZINC001231734447 1132348764 /nfs/dbraw/zinc/34/87/64/1132348764.db2.gz ZQEXDXSPKLJABI-HNNXBMFYSA-N -1 2 288.778 3.778 20 0 CHADLM CC(=O)Nc1ccc(-c2cc([S-])cc(S)c2)cc1 ZINC001239755579 1130093477 /nfs/dbraw/zinc/09/34/77/1130093477.db2.gz GNJOXWABWXEHOS-UHFFFAOYSA-N -1 2 275.398 3.889 20 0 CHADLM CCCCC[C@H](C)Oc1ccc(O[P@@](=O)([O-])O)cc1 ZINC001234331654 1128172424 /nfs/dbraw/zinc/17/24/24/1128172424.db2.gz IZFUDWVXPOLOPX-NSHDSACASA-N -1 2 288.280 3.506 20 0 CHADLM CCCCC[C@H](C)Oc1ccc(O[P@](=O)([O-])O)cc1 ZINC001234331654 1128172427 /nfs/dbraw/zinc/17/24/27/1128172427.db2.gz IZFUDWVXPOLOPX-NSHDSACASA-N -1 2 288.280 3.506 20 0 CHADLM O=C(Nc1cccc(Cl)c1[O-])c1c(O)cccc1Cl ZINC000736683252 1129378719 /nfs/dbraw/zinc/37/87/19/1129378719.db2.gz RCDQLXWVJJKZQC-UHFFFAOYSA-N -1 2 298.125 3.657 20 0 CHADLM [S-]c1cc(S)cc(-c2cnn([C@@H]3CCCCO3)c2)c1 ZINC001240678077 1130413567 /nfs/dbraw/zinc/41/35/67/1130413567.db2.gz LFUWYUMQCNSLFG-AWEZNQCLSA-N -1 2 292.429 3.827 20 0 CHADLM Oc1c(F)cc(C[N@H+]2CCC3(CCC3)C2)cc1Cl ZINC001237997607 1131160136 /nfs/dbraw/zinc/16/01/36/1131160136.db2.gz MXQJURDDSUPEQY-UHFFFAOYSA-N -1 2 269.747 3.561 20 0 CHADLM C[C@@H](Oc1[nH]c(=O)nc2c3ccccc3oc21)C1=CC=C[CH]1 ZINC001230666516 1132203731 /nfs/dbraw/zinc/20/37/31/1132203731.db2.gz LOVPDNWTMNQVQO-SNVBAGLBSA-N -1 2 293.302 3.549 20 0 CHADLM CC[N@H+](Cc1cc(O)c(F)c(F)c1)Cc1ccccc1F ZINC001232972936 1132551367 /nfs/dbraw/zinc/55/13/67/1132551367.db2.gz HINBTIAYBJPHQJ-UHFFFAOYSA-N -1 2 295.304 3.832 20 0 CHADLM C[C@@H]1CC[N@H+](Cc2cc(O)c(F)c(F)c2)CCC1(F)F ZINC001232971216 1132552432 /nfs/dbraw/zinc/55/24/32/1132552432.db2.gz YKEXGTKCVCBSSA-SECBINFHSA-N -1 2 291.288 3.538 20 0 CHADLM Oc1cccc(CCNc2cc([S-])cc(S)c2)c1 ZINC001163708730 1133166196 /nfs/dbraw/zinc/16/61/96/1133166196.db2.gz WRVZWCUGZVPIMM-UHFFFAOYSA-N -1 2 277.414 3.624 20 0 CHADLM Cc1ccc(C(=O)[O-])cc1Nc1ccccc1S ZINC001174981404 1121139875 /nfs/dbraw/zinc/13/98/75/1121139875.db2.gz CUCVBCXHNCECKM-UHFFFAOYSA-N -1 2 259.330 3.726 20 0 CHADLM O=C(Nc1ccccc1[S-])c1cc(Cl)c(F)cc1O ZINC001196466772 1122923183 /nfs/dbraw/zinc/92/31/83/1122923183.db2.gz KFIZFMVOONGXCJ-UHFFFAOYSA-N -1 2 297.738 3.726 20 0 CHADLM Oc1cc(C[NH+]2C3CCCC2CCC3)cc(F)c1F ZINC001232974300 1132552636 /nfs/dbraw/zinc/55/26/36/1132552636.db2.gz SHMJNOUJJFDSLV-UHFFFAOYSA-N -1 2 267.319 3.577 20 0 CHADLM O=C([O-])/C=C/c1cccc(Nc2ccc(S)cc2)c1 ZINC001174496617 1132862775 /nfs/dbraw/zinc/86/27/75/1132862775.db2.gz PYHZDKCVLCZUFV-RUDMXATFSA-N -1 2 271.341 3.817 20 0 CHADLM [S-]c1cc(S)cc(-c2ccc3c[nH]nc3c2)c1 ZINC001240558047 1130356299 /nfs/dbraw/zinc/35/62/99/1130356299.db2.gz ISQOWKUQFRDZBG-UHFFFAOYSA-N -1 2 258.371 3.807 20 0 CHADLM CCCn1cc(-c2cc([S-])cc(S)c2)cn1 ZINC001240134071 1130220453 /nfs/dbraw/zinc/22/04/53/1130220453.db2.gz IBKQNCMKPBWGNF-UHFFFAOYSA-N -1 2 250.392 3.538 20 0 CHADLM CCOc1ncccc1-c1cc([S-])cc(S)c1 ZINC001240498457 1130330740 /nfs/dbraw/zinc/33/07/40/1130330740.db2.gz WKTXCKWWPXDZEB-UHFFFAOYSA-N -1 2 263.387 3.725 20 0 CHADLM CC(=O)Nc1cccc(-c2cc([S-])cc(S)c2)c1 ZINC001239532043 1131369073 /nfs/dbraw/zinc/36/90/73/1131369073.db2.gz ZYKOTHOTVFCGGA-UHFFFAOYSA-N -1 2 275.398 3.889 20 0 CHADLM C[C@H]1CC[N@H+](Cc2cc(O)c(F)c(F)c2)CCC1(F)F ZINC001232971217 1132553703 /nfs/dbraw/zinc/55/37/03/1132553703.db2.gz YKEXGTKCVCBSSA-VIFPVBQESA-N -1 2 291.288 3.538 20 0 CHADLM CCCCC[C@@H](C)Oc1ccc(O[P@@](=O)([O-])O)cc1 ZINC001234331653 1128172512 /nfs/dbraw/zinc/17/25/12/1128172512.db2.gz IZFUDWVXPOLOPX-LLVKDONJSA-N -1 2 288.280 3.506 20 0 CHADLM CCCCC[C@@H](C)Oc1ccc(O[P@](=O)([O-])O)cc1 ZINC001234331653 1128172514 /nfs/dbraw/zinc/17/25/14/1128172514.db2.gz IZFUDWVXPOLOPX-LLVKDONJSA-N -1 2 288.280 3.506 20 0 CHADLM COC1CCC(Nc2cc([S-])cc(S)c2)CC1 ZINC001168608932 1118395965 /nfs/dbraw/zinc/39/59/65/1118395965.db2.gz UKRNCCHKBNTNQI-UHFFFAOYSA-N -1 2 269.435 3.634 20 0 CHADLM [S-]c1cc(S)cc(-c2cnn(CC3CC3)c2)c1 ZINC001240516228 1130339208 /nfs/dbraw/zinc/33/92/08/1130339208.db2.gz KXQPMQFKBFCIFF-UHFFFAOYSA-N -1 2 262.403 3.538 20 0 CHADLM F[C@@H]1CCCC[C@H]1Nc1cc([S-])cc(S)c1 ZINC001162513694 1133084260 /nfs/dbraw/zinc/08/42/60/1133084260.db2.gz BUPLOLURWZYBSH-VXGBXAGGSA-N -1 2 257.399 3.957 20 0 CHADLM [S-]c1cc(S)cc(NC2(C3CCOCC3)CC2)c1 ZINC001167746978 1120511515 /nfs/dbraw/zinc/51/15/15/1120511515.db2.gz KAILSEQQONAIJC-UHFFFAOYSA-N -1 2 281.446 3.635 20 0 CHADLM Cc1cc(-c2c(F)cc(F)c(O)c2F)cc2nc[nH]c21 ZINC001235996871 1128447376 /nfs/dbraw/zinc/44/73/76/1128447376.db2.gz ZKNDXLJOEZZYRM-UHFFFAOYSA-N -1 2 278.233 3.661 20 0 CHADLM Cc1cc(C(=O)[O-])ccc1Nc1ccccc1S ZINC001211622826 1119588506 /nfs/dbraw/zinc/58/85/06/1119588506.db2.gz NEJKKVXXBPOACB-UHFFFAOYSA-N -1 2 259.330 3.726 20 0 CHADLM Cc1cc(Nc2ccc(S)cc2)ccc1C(=O)[O-] ZINC001211658123 1120619891 /nfs/dbraw/zinc/61/98/91/1120619891.db2.gz AZVBZCXXZYWBTL-UHFFFAOYSA-N -1 2 259.330 3.726 20 0 CHADLM [S-]c1cc(S)cc(NCc2ccc3c(c2)CCO3)c1 ZINC001167780859 1120786118 /nfs/dbraw/zinc/78/61/18/1120786118.db2.gz CMQDBGIWLKXZAD-UHFFFAOYSA-N -1 2 289.425 3.811 20 0 CHADLM O=C([O-])C1(c2ccc(Nc3ccccc3S)cc2)CC1 ZINC001176587127 1121647360 /nfs/dbraw/zinc/64/73/60/1121647360.db2.gz SMPMVNMCUSUMNZ-UHFFFAOYSA-N -1 2 285.368 3.835 20 0 CHADLM CCCC(CCC)Oc1ccc(O[P@@](=O)([O-])O)cc1 ZINC001234331978 1130637451 /nfs/dbraw/zinc/63/74/51/1130637451.db2.gz MUOBSBUJHDGNOH-UHFFFAOYSA-N -1 2 288.280 3.506 20 0 CHADLM CCCC(CCC)Oc1ccc(O[P@](=O)([O-])O)cc1 ZINC001234331978 1130637454 /nfs/dbraw/zinc/63/74/54/1130637454.db2.gz MUOBSBUJHDGNOH-UHFFFAOYSA-N -1 2 288.280 3.506 20 0 CHADLM C[C@@H]1C[N@H+](Cc2ccc(Cl)c(O)c2)CCC1(F)F ZINC001231730550 1132346797 /nfs/dbraw/zinc/34/67/97/1132346797.db2.gz CEBCWKDITHZZOY-SECBINFHSA-N -1 2 275.726 3.523 20 0 CHADLM Cc1c(Nc2ccc(S)cc2)cccc1C(=O)[O-] ZINC001216661873 1134941615 /nfs/dbraw/zinc/94/16/15/1134941615.db2.gz SOCYWTZNFVMQBC-UHFFFAOYSA-N -1 2 259.330 3.726 20 0 CHADLM O=C([O-])C1(c2ccc(-c3ccc(S)cc3)cc2)CC1 ZINC001222678664 1135263511 /nfs/dbraw/zinc/26/35/11/1135263511.db2.gz KOBSGMPPBNCNOD-UHFFFAOYSA-N -1 2 270.353 3.759 20 0 CHADLM CC(=O)Nc1ccccc1-c1cc([S-])cc(S)c1 ZINC001239781897 1130105975 /nfs/dbraw/zinc/10/59/75/1130105975.db2.gz HKXRJQUNCCYGJF-UHFFFAOYSA-N -1 2 275.398 3.889 20 0 CHADLM O=C([O-])C1(c2ccc(-c3cccc(S)c3)cc2)CC1 ZINC001222678896 1135263781 /nfs/dbraw/zinc/26/37/81/1135263781.db2.gz PUNJDVUELQDLGD-UHFFFAOYSA-N -1 2 270.353 3.759 20 0 CHADLM CCCC[C@@H](CC)Oc1ccc(O[P@@](=O)([O-])O)cc1 ZINC001234332237 1130637071 /nfs/dbraw/zinc/63/70/71/1130637071.db2.gz NOBWEWWRHSEASH-LLVKDONJSA-N -1 2 288.280 3.506 20 0 CHADLM CCCC[C@@H](CC)Oc1ccc(O[P@](=O)([O-])O)cc1 ZINC001234332237 1130637074 /nfs/dbraw/zinc/63/70/74/1130637074.db2.gz NOBWEWWRHSEASH-LLVKDONJSA-N -1 2 288.280 3.506 20 0 CHADLM Cc1cc(Nc2ccc(S)cc2)cc(C(=O)[O-])c1 ZINC001211544856 1119077294 /nfs/dbraw/zinc/07/72/94/1119077294.db2.gz LPTRPNZXPJGEBY-UHFFFAOYSA-N -1 2 259.330 3.726 20 0 CHADLM [S-]c1cc(S)cc(NC2(c3ccccn3)CC2)c1 ZINC001168150298 1125267470 /nfs/dbraw/zinc/26/74/70/1125267470.db2.gz BJKOJYHXSWRTBV-UHFFFAOYSA-N -1 2 274.414 3.760 20 0 CHADLM CC(=O)NCc1cccc(-c2cc([S-])cc(S)c2)c1 ZINC001240351839 1130275747 /nfs/dbraw/zinc/27/57/47/1130275747.db2.gz BYYWFNKVNNVNTO-UHFFFAOYSA-N -1 2 289.425 3.567 20 0 CHADLM CCN(Cc1ccccc1)Cc1cc(F)c(O)cc1F ZINC001144646627 1131673744 /nfs/dbraw/zinc/67/37/44/1131673744.db2.gz DZYRUQINNXCDBP-UHFFFAOYSA-N -1 2 277.314 3.693 20 0 CHADLM Oc1ccc(F)c(C[NH2+][C@H]2CCCc3sccc32)c1F ZINC000293676637 1127512028 /nfs/dbraw/zinc/51/20/28/1127512028.db2.gz RCESHUXYIODQKU-LBPRGKRZSA-N -1 2 295.354 3.899 20 0 CHADLM [S-]c1cc(S)cc(-c2ccnc3[nH]ccc32)c1 ZINC001240414416 1130298750 /nfs/dbraw/zinc/29/87/50/1130298750.db2.gz OBZAWNXZARUDBQ-UHFFFAOYSA-N -1 2 258.371 3.807 20 0 CHADLM [S-]c1cc(S)cc(C2=CCC3(CC2)OCCO3)c1 ZINC001240706623 1130428956 /nfs/dbraw/zinc/42/89/56/1130428956.db2.gz OAOAUGGAYKHEHW-UHFFFAOYSA-N -1 2 280.414 3.574 20 0 CHADLM [S-]c1cc(S)cc(NCOc2ccccc2)c1 ZINC001170809275 1131048893 /nfs/dbraw/zinc/04/88/93/1131048893.db2.gz ILFIQOHIDQPLTA-UHFFFAOYSA-N -1 2 263.387 3.712 20 0 CHADLM Oc1ccc(F)c(C[NH2+]Cc2ccc(C3CC3)cc2)c1F ZINC000353178589 1122253282 /nfs/dbraw/zinc/25/32/82/1122253282.db2.gz XXIADWVWJUGYOG-UHFFFAOYSA-N -1 2 289.325 3.838 20 0 CHADLM [S-]c1cc(S)cc(-c2ccc3cncnc3c2)c1 ZINC001239993178 1130184613 /nfs/dbraw/zinc/18/46/13/1130184613.db2.gz IDZRVUZGEDHLSD-UHFFFAOYSA-N -1 2 270.382 3.874 20 0 CHADLM CC(C)(O)c1cncc(-c2cc([S-])cc(S)c2)c1 ZINC001240671994 1130411864 /nfs/dbraw/zinc/41/18/64/1130411864.db2.gz ZFUNIOPRSBUZOD-UHFFFAOYSA-N -1 2 277.414 3.553 20 0 CHADLM Cc1cc(C)c(CNc2cc([S-])cc(S)c2)c(=O)[nH]1 ZINC001162606094 1133095344 /nfs/dbraw/zinc/09/53/44/1133095344.db2.gz OVYUKIRCHQKWDU-UHFFFAOYSA-N -1 2 292.429 3.594 20 0 CHADLM C[C@@H]1CCN(Cc2cc(F)c(O)cc2F)CCC1(F)F ZINC001144648723 1131673986 /nfs/dbraw/zinc/67/39/86/1131673986.db2.gz WMQJCHIIXJUIFH-SECBINFHSA-N -1 2 291.288 3.538 20 0 CHADLM Cc1cc(C(=O)[O-])ccc1Nc1ccc(S)cc1 ZINC001211624972 1119616494 /nfs/dbraw/zinc/61/64/94/1119616494.db2.gz ZHDHXLXGXYWWFD-UHFFFAOYSA-N -1 2 259.330 3.726 20 0 CHADLM COc1cccc(OC)c1-c1cc([S-])cc(S)c1 ZINC001239672424 1130046089 /nfs/dbraw/zinc/04/60/89/1130046089.db2.gz HWCANACGGRXQAR-UHFFFAOYSA-N -1 2 278.398 3.948 20 0 CHADLM O=C([O-])CCc1ccc(Nc2ccccc2S)cc1 ZINC001213627260 1134470053 /nfs/dbraw/zinc/47/00/53/1134470053.db2.gz BEPFAEREORKKNT-UHFFFAOYSA-N -1 2 273.357 3.736 20 0 CHADLM [S-]c1cc(S)cc(NC(C2CC2)C2CC2)c1 ZINC001168746640 1120686870 /nfs/dbraw/zinc/68/68/70/1120686870.db2.gz AQXOLZUEVPRSPC-UHFFFAOYSA-N -1 2 251.420 3.865 20 0 CHADLM Cn1ncc2ccc(-c3cc([S-])cc(S)c3)cc21 ZINC001240310728 1130261555 /nfs/dbraw/zinc/26/15/55/1130261555.db2.gz KTTWZEMJKMEXJU-UHFFFAOYSA-N -1 2 272.398 3.818 20 0 CHADLM [S-]c1cc(S)cc(-c2cccc3n[nH]cc32)c1 ZINC001240314758 1130263675 /nfs/dbraw/zinc/26/36/75/1130263675.db2.gz CEPYAGAPDYMPMB-UHFFFAOYSA-N -1 2 258.371 3.807 20 0 CHADLM O=C([O-])/C=C/c1ccc(-c2ccc(S)cc2)cc1 ZINC001235458856 1130746731 /nfs/dbraw/zinc/74/67/31/1130746731.db2.gz LSRWJNUBCIGDIX-XCVCLJGOSA-N -1 2 256.326 3.740 20 0 CHADLM Oc1c(F)cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)cc1Cl ZINC001237997635 1131159346 /nfs/dbraw/zinc/15/93/46/1131159346.db2.gz NFMBWCXUPAPIEE-SMDDNHRTSA-N -1 2 283.774 3.949 20 0 CHADLM CCCC1CC[NH+](Cc2c(F)ccc(O)c2F)CC1 ZINC001233395762 1132614659 /nfs/dbraw/zinc/61/46/59/1132614659.db2.gz NTXXEKLTUTXJIY-UHFFFAOYSA-N -1 2 269.335 3.683 20 0 CHADLM CNc1ccc(CNc2cc([S-])cc(S)c2)cc1 ZINC001164156063 1133202470 /nfs/dbraw/zinc/20/24/70/1133202470.db2.gz SBMSSQLWOOTPPL-UHFFFAOYSA-N -1 2 276.430 3.918 20 0 CHADLM COc1cc(Nc2ccc(C(=O)[O-])c(C)c2)ccc1S ZINC001211660653 1120661032 /nfs/dbraw/zinc/66/10/32/1120661032.db2.gz FTISBDMOANLVEZ-UHFFFAOYSA-N -1 2 289.356 3.734 20 0 CHADLM COc1ccc(-c2cc([S-])cc(S)c2)cc1OC ZINC001239617773 1130015134 /nfs/dbraw/zinc/01/51/34/1130015134.db2.gz XYVALTKGQPHHFU-UHFFFAOYSA-N -1 2 278.398 3.948 20 0 CHADLM [S-]c1cc(S)cc(-c2cnc3[nH]ccc3c2)c1 ZINC001240393499 1130289760 /nfs/dbraw/zinc/28/97/60/1130289760.db2.gz OCCPZTTXBLVUGW-UHFFFAOYSA-N -1 2 258.371 3.759 20 0 CHADLM O=C([O-])/C=C/c1cccc(-c2ccccc2S)c1 ZINC001240548023 1130351102 /nfs/dbraw/zinc/35/11/02/1130351102.db2.gz FLHHLXXKJYZBDE-CMDGGOBGSA-N -1 2 256.326 3.740 20 0 CHADLM O=C([O-])/C=C/c1ccc(-c2cccc(S)c2)cc1 ZINC001235459460 1130746813 /nfs/dbraw/zinc/74/68/13/1130746813.db2.gz RYLGUWVTGNWVMU-RMKNXTFCSA-N -1 2 256.326 3.740 20 0 CHADLM C[N@@H+](Cc1cc(Cl)c(O)cc1F)CC(C)(C)C ZINC001238152760 1131176933 /nfs/dbraw/zinc/17/69/33/1131176933.db2.gz QWGRFPBAYAJYIM-UHFFFAOYSA-N -1 2 259.752 3.663 20 0 CHADLM [S-]c1cc(S)cc(NC[C@H]2Cc3ccccc3O2)c1 ZINC001163867704 1133180892 /nfs/dbraw/zinc/18/08/92/1133180892.db2.gz YUQBNKXOFODWMV-GFCCVEGCSA-N -1 2 289.425 3.680 20 0 CHADLM Oc1ccc(F)c(C[NH2+][C@@H]2CCCc3sccc32)c1F ZINC000293676635 1127511993 /nfs/dbraw/zinc/51/19/93/1127511993.db2.gz RCESHUXYIODQKU-GFCCVEGCSA-N -1 2 295.354 3.899 20 0 CHADLM Cc1[nH+]cc(C2CC2)cc1Nc1cc(F)c(O)cc1F ZINC001213501222 1117783802 /nfs/dbraw/zinc/78/38/02/1117783802.db2.gz NJLXRTWBBDNQEL-UHFFFAOYSA-N -1 2 276.286 3.995 20 0 CHADLM CC(C)(C)OC(=O)C(C)(C)Nc1cc([S-])cc(S)c1 ZINC001169582229 1129741105 /nfs/dbraw/zinc/74/11/05/1129741105.db2.gz BXUITIPSUBLCJO-UHFFFAOYSA-N -1 2 299.461 3.796 20 0 CHADLM [S-]c1cc(S)cc(-c2ccc3c(c2)CCO3)c1 ZINC001239807046 1130116233 /nfs/dbraw/zinc/11/62/33/1130116233.db2.gz QOTGVJSOKVRDMT-UHFFFAOYSA-N -1 2 260.383 3.866 20 0 CHADLM Oc1cc(F)c(C[N@@H+]2CCCC3(CCCC3)C2)c(F)c1 ZINC001144544701 1131652429 /nfs/dbraw/zinc/65/24/29/1131652429.db2.gz DBOFCNPCYYRMOF-UHFFFAOYSA-N -1 2 281.346 3.827 20 0 CHADLM Oc1cc(C[N@@H+]2CCC[C@@H]2c2ccncc2)ccc1Cl 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