smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(NC(=O)CCc2ccc(F)cc2)cc1Cl ZINC000013010298 230371132 /nfs/dbraw/zinc/37/11/32/230371132.db2.gz ZGBJXHAZKLSNSN-UHFFFAOYSA-N 0 0 291.753 4.359 50 0 CIAARN FC(F)(F)c1ccnc2c(Br)cccc12 ZINC000095470321 184996210 /nfs/dbraw/zinc/99/62/10/184996210.db2.gz LXIPPSZRMNAIJJ-UHFFFAOYSA-N 0 0 276.055 4.016 50 0 CIAARN O=C(OC/C=C\c1ccccc1)c1cc2ccccc2[nH]1 ZINC000096449036 230375245 /nfs/dbraw/zinc/37/52/45/230375245.db2.gz DFESULPLQIFTMM-TWGQIWQCSA-N 0 0 277.323 4.038 50 0 CIAARN Cc1cnc(CNc2cccc(Cl)c2NC(C)C)o1 ZINC000096476040 230379527 /nfs/dbraw/zinc/37/95/27/230379527.db2.gz GHTGCCRVUNNUDE-UHFFFAOYSA-N 0 0 279.771 4.069 50 0 CIAARN COC[C@@H](N[C@H](C)c1ccc(SC)cc1)c1ccco1 ZINC000096478943 230380076 /nfs/dbraw/zinc/38/00/76/230380076.db2.gz NWBMATQNYHJGNA-IUODEOHRSA-N 0 0 291.416 4.040 50 0 CIAARN C[C@H](c1cc2ccccc2o1)N(C)Cc1cscn1 ZINC000097866372 230387587 /nfs/dbraw/zinc/38/75/87/230387587.db2.gz GOKGMOOAIBDBFN-LLVKDONJSA-N 0 0 272.373 4.082 50 0 CIAARN COc1cccc(/C=C\c2nc3ccccc3s2)c1 ZINC000097993145 230388767 /nfs/dbraw/zinc/38/87/67/230388767.db2.gz UAVLFNJABOWPIF-KTKRTIGZSA-N 0 0 267.353 4.475 50 0 CIAARN CCn1c2ccccc2nc1Nc1ccc(C)cc1 ZINC000000513587 230366283 /nfs/dbraw/zinc/36/62/83/230366283.db2.gz OGDCEYUKOLVDBT-UHFFFAOYSA-N 0 0 251.333 4.108 50 0 CIAARN Cc1cc(C)c(NC(=O)c2ccc3ncsc3c2)c(C)c1 ZINC000002630760 230367404 /nfs/dbraw/zinc/36/74/04/230367404.db2.gz GLJWMJHZQYFCMN-UHFFFAOYSA-N 0 0 296.395 4.474 50 0 CIAARN CCc1cccc(NC(=O)N2CCC3(CCCC3)C2)c1 ZINC000095507366 185000496 /nfs/dbraw/zinc/00/04/96/185000496.db2.gz BGHUAXNEFDVQJD-UHFFFAOYSA-N 0 0 272.392 4.047 50 0 CIAARN Cc1nnc(-c2ccccc2-c2cccc(Cl)c2)o1 ZINC000426712818 230427521 /nfs/dbraw/zinc/42/75/21/230427521.db2.gz VBNRYSOOVITPDD-UHFFFAOYSA-N 0 0 270.719 4.365 50 0 CIAARN Cc1ccc(C(=O)c2c(N)sc3c2CCC(C)(C)C3)cc1 ZINC000095829007 185029203 /nfs/dbraw/zinc/02/92/03/185029203.db2.gz YLLLRGILMRXIMY-UHFFFAOYSA-N 0 0 299.439 4.385 50 0 CIAARN O=C(/C=C\c1cccc(Cl)c1Cl)NC1CCCC1 ZINC000095935915 185034389 /nfs/dbraw/zinc/03/43/89/185034389.db2.gz FALWQBOMBLXOHP-HJWRWDBZSA-N 0 0 284.186 4.065 50 0 CIAARN CC(C)c1ccc([C@@H](C)Oc2ccc(C(N)=O)cc2)cc1 ZINC000095941891 185036522 /nfs/dbraw/zinc/03/65/22/185036522.db2.gz DWBHXGTUFMUKBI-CYBMUJFWSA-N 0 0 283.371 4.049 50 0 CIAARN CCc1ccc([C@H](C)N[C@@H](C)c2csc(C)n2)o1 ZINC000095967829 185046816 /nfs/dbraw/zinc/04/68/16/185046816.db2.gz AJRBWPQGFMQXTA-UWVGGRQHSA-N 0 0 264.394 4.019 50 0 CIAARN CC[C@@H]1CC[C@H](C)N1C(=O)CSCc1ccc(C)cc1 ZINC000095983481 185053884 /nfs/dbraw/zinc/05/38/84/185053884.db2.gz GTCIBXMYNYDPJD-GOEBONIOSA-N 0 0 291.460 4.018 50 0 CIAARN COc1ccc2cc(CNc3ncc(C)s3)ccc2c1 ZINC000095990253 185057693 /nfs/dbraw/zinc/05/76/93/185057693.db2.gz YOQDOIMWNLTEQH-UHFFFAOYSA-N 0 0 284.384 4.225 50 0 CIAARN CC(C)(C)CC(=O)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000096002274 185061922 /nfs/dbraw/zinc/06/19/22/185061922.db2.gz PAVFJQRFOHSBCU-PCUGXKRQSA-N 0 0 271.404 4.127 50 0 CIAARN Cc1ccnc2[nH]c(CSc3cccc(Cl)c3)nc21 ZINC000096010416 185064955 /nfs/dbraw/zinc/06/49/55/185064955.db2.gz VGAFTJHNZNOHPW-UHFFFAOYSA-N 0 0 289.791 4.212 50 0 CIAARN CCCCn1c(O)c(C(C)=O)c2cc(Cl)ccc21 ZINC000096026266 185067100 /nfs/dbraw/zinc/06/71/00/185067100.db2.gz UHSFUWXNIOZNMC-UHFFFAOYSA-N 0 0 265.740 4.003 50 0 CIAARN CC(=O)c1c(O)n(Cc2ccccc2)c2ccc(Cl)cc21 ZINC000096026267 185067259 /nfs/dbraw/zinc/06/72/59/185067259.db2.gz IAZPWXPCXTUJQD-UHFFFAOYSA-N 0 0 299.757 4.251 50 0 CIAARN CCCC[C@H](CC)CNC(=O)[C@@H](C)c1ccccc1 ZINC000096026214 185067583 /nfs/dbraw/zinc/06/75/83/185067583.db2.gz QTVCJRRTKPECMA-GJZGRUSLSA-N 0 0 261.409 4.123 50 0 CIAARN c1cc(-c2csc(NCc3ccccc3)n2)co1 ZINC000096124512 185103360 /nfs/dbraw/zinc/10/33/60/185103360.db2.gz YRUIIXKPULJBRM-UHFFFAOYSA-N 0 0 256.330 4.015 50 0 CIAARN Fc1ccc(F)c(Nc2nc(-c3ccoc3)cs2)c1 ZINC000096124496 185103721 /nfs/dbraw/zinc/10/37/21/185103721.db2.gz YEJXUQWPBWESQA-UHFFFAOYSA-N 0 0 278.283 4.425 50 0 CIAARN Cc1sccc1-c1csc(Nc2cccnc2)n1 ZINC000096124450 185104024 /nfs/dbraw/zinc/10/40/24/185104024.db2.gz DCBOBRRFOAVRFB-UHFFFAOYSA-N 0 0 273.386 4.319 50 0 CIAARN Cc1ccsc1CNC(=O)Nc1ccc(F)cc1Cl ZINC000096130020 185104110 /nfs/dbraw/zinc/10/41/10/185104110.db2.gz CNWFRDVTDTWHHS-UHFFFAOYSA-N 0 0 298.770 4.171 50 0 CIAARN COc1cc(/C=C\c2nc3cc(C)ccc3s2)ccc1O ZINC000096765990 185112400 /nfs/dbraw/zinc/11/24/00/185112400.db2.gz JBCHDMCZNOQCQJ-YVMONPNESA-N 0 0 297.379 4.489 50 0 CIAARN Cc1ccc(/C=C\C(=O)N[C@@H](C)c2cc3ccccc3o2)o1 ZINC000096879234 185119558 /nfs/dbraw/zinc/11/95/58/185119558.db2.gz OGNUBLYYDGVISH-XPSMFNQNSA-N 0 0 295.338 4.225 50 0 CIAARN COc1ccc(C)cc1/C=C\C(=O)Nc1ccc(C)c(F)c1 ZINC000096878985 185119624 /nfs/dbraw/zinc/11/96/24/185119624.db2.gz SGWWJMPPOOHQDN-TWGQIWQCSA-N 0 0 299.345 4.103 50 0 CIAARN O=C(/C=C\c1cc(Cl)cc(Cl)c1)Nc1ccccn1 ZINC000096943842 185133912 /nfs/dbraw/zinc/13/39/12/185133912.db2.gz RFQVORVGMAMJFC-PLNGDYQASA-N 0 0 293.153 4.040 50 0 CIAARN C=Cc1ccc(COC(C(F)(F)F)C(F)(F)F)cc1 ZINC000002572040 169811738 /nfs/dbraw/zinc/81/17/38/169811738.db2.gz BCHKYDBUHXYDGK-UHFFFAOYSA-N 0 0 284.199 4.339 50 0 CIAARN C/C=C\C(=O)N1c2ccc(C)cc2C(C)=CC1(C)C ZINC000005666481 136394722 /nfs/dbraw/zinc/39/47/22/136394722.db2.gz BNIYOKRWDLGTJC-SREVYHEPSA-N 0 0 255.361 4.100 50 0 CIAARN c1ccc2sc(CN3CCCc4ccccc43)nc2c1 ZINC000007115035 136394936 /nfs/dbraw/zinc/39/49/36/136394936.db2.gz UQNXYTVKUPSELG-UHFFFAOYSA-N 0 0 280.396 4.249 50 0 CIAARN C[C@H]1CC2(CCCC2)N(C(=O)N(C)C)c2ccc(F)cc21 ZINC000006754724 136395091 /nfs/dbraw/zinc/39/50/91/136395091.db2.gz GCZHPFCMZLVLLA-LBPRGKRZSA-N 0 0 290.382 4.134 50 0 CIAARN CC(=O)N1c2ccccc2C(C)(C)[C@H]2CC[C@H](C)C[C@@H]21 ZINC000004024602 136393941 /nfs/dbraw/zinc/39/39/41/136393941.db2.gz BNLNIDMXFUKQJC-NUTKFTJISA-N 0 0 271.404 4.136 50 0 CIAARN CCc1cccc(C)c1NC(=O)/C=C\c1ccccc1OC ZINC000096569806 529733649 /nfs/dbraw/zinc/73/36/49/529733649.db2.gz CDCAUUHJLWUBFU-SEYXRHQNSA-N 0 0 295.382 4.218 50 0 CIAARN CCc1nc2c3ccccc3oc2c(NC2CCCC2)n1 ZINC000005164872 529748001 /nfs/dbraw/zinc/74/80/01/529748001.db2.gz ZJOZUQFNWLBGOL-UHFFFAOYSA-N 0 0 281.359 4.293 50 0 CIAARN CN1N=C2c3ccccc3CC[C@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000000105048 529831374 /nfs/dbraw/zinc/83/13/74/529831374.db2.gz SENURBWXHFEHJM-AEFFLSMTSA-N 0 0 296.801 4.293 50 0 CIAARN CCc1ccccc1C(=O)c1cccc(Br)c1 ZINC000043210150 260188179 /nfs/dbraw/zinc/18/81/79/260188179.db2.gz FTZZNQXSRWVMBG-UHFFFAOYSA-N 0 0 289.172 4.243 50 0 CIAARN O=C(Nc1ccsc1)Nc1ccccc1Cl ZINC000084506052 178896478 /nfs/dbraw/zinc/89/64/78/178896478.db2.gz WOYRQSMGAHNDPJ-UHFFFAOYSA-N 0 0 252.726 4.046 50 0 CIAARN COC(=O)Cc1cccc(-c2cc(Cl)cc(Cl)c2)c1 ZINC000097757237 185662343 /nfs/dbraw/zinc/66/23/43/185662343.db2.gz WYCMWDKJWLQAFH-UHFFFAOYSA-N 0 0 295.165 4.376 50 0 CIAARN CCCCN(CCCC)C(=O)[C@@H](C)c1ccccc1 ZINC000085423533 179059875 /nfs/dbraw/zinc/05/98/75/179059875.db2.gz DJOXOFPAFGJCHJ-HNNXBMFYSA-N 0 0 261.409 4.219 50 0 CIAARN C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000085418960 179059331 /nfs/dbraw/zinc/05/93/31/179059331.db2.gz YZAUULUSHNUJIP-JTQLQIEISA-N 0 0 277.726 4.221 50 0 CIAARN Cc1cccc(NC(=O)c2cccc3c2CCCC3)c1F ZINC000098073104 185682878 /nfs/dbraw/zinc/68/28/78/185682878.db2.gz FGZDLCBRDJAPBF-UHFFFAOYSA-N 0 0 283.346 4.265 50 0 CIAARN O=Cc1ccc(OCc2ccccc2)cc1C(F)(F)F ZINC000086014432 179215516 /nfs/dbraw/zinc/21/55/16/179215516.db2.gz LRTMKGSVSNXZSP-UHFFFAOYSA-N 0 0 280.245 4.097 50 0 CIAARN Cc1cccc(COc2ccc(Br)cc2)c1F ZINC000086005606 179214290 /nfs/dbraw/zinc/21/42/90/179214290.db2.gz WAJRVBGJBHXEEV-UHFFFAOYSA-N 0 0 295.151 4.476 50 0 CIAARN O=C(Cc1ccc(F)cc1)c1cccc(Br)c1 ZINC000002579760 169813048 /nfs/dbraw/zinc/81/30/48/169813048.db2.gz ZQYHTVCWCDTCFZ-UHFFFAOYSA-N 0 0 293.135 4.014 50 0 CIAARN Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1C[C@H]2C[C@@H]1CCC2 ZINC000091645929 180214855 /nfs/dbraw/zinc/21/48/55/180214855.db2.gz IDSKJMVKFSIRJX-CABCVRRESA-N 0 0 296.414 4.108 50 0 CIAARN O=C(CCC1OCCCO1)c1ccc(-c2ccccc2)cc1 ZINC000002581258 169813532 /nfs/dbraw/zinc/81/35/32/169813532.db2.gz NBXMKZZJQQOWRK-UHFFFAOYSA-N 0 0 296.366 4.080 50 0 CIAARN C[C@@H](c1ccc(-c2ccccc2)cc1)[N@H+](C)CCCC(=O)[O-] ZINC000123221774 187078675 /nfs/dbraw/zinc/07/86/75/187078675.db2.gz HYGVBLDYASHYGU-HNNXBMFYSA-N 0 0 297.398 4.211 50 0 CIAARN C[C@@H](CCC1CC1)Nc1cccc(-c2cnco2)c1 ZINC000170597520 188673959 /nfs/dbraw/zinc/67/39/59/188673959.db2.gz NDKHFTJVNIFGKX-LBPRGKRZSA-N 0 0 256.349 4.332 50 0 CIAARN Cc1cccc([C@@H]2CCCC[N@@H+]2CCCCC(=O)[O-])c1C ZINC000181570651 189300883 /nfs/dbraw/zinc/30/08/83/189300883.db2.gz ZQEYNMCGWGNOME-KRWDZBQOSA-N 0 0 289.419 4.085 50 0 CIAARN CS[C@@H]1CCC[C@H](NC(=O)C[C@H](C)C2CCCCC2)C1 ZINC000225395581 189749000 /nfs/dbraw/zinc/74/90/00/189749000.db2.gz PFCJFQOCADGRIM-CWRNSKLLSA-N 0 0 297.508 4.383 50 0 CIAARN COc1cccc(NC(=O)C2CCC(C(C)(C)C)CC2)c1 ZINC000002634675 169816919 /nfs/dbraw/zinc/81/69/19/169816919.db2.gz FVQGEGHOYLXTTK-UHFFFAOYSA-N 0 0 289.419 4.486 50 0 CIAARN Cc1ccc(OCCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000002634330 169816993 /nfs/dbraw/zinc/81/69/93/169816993.db2.gz NUFZCYWIGLBGLR-UHFFFAOYSA-N 0 0 289.762 4.056 50 0 CIAARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(=O)CC[C@@]34C)[C@@H]1CCC2=O ZINC000000901838 581091121 /nfs/dbraw/zinc/09/11/21/581091121.db2.gz RAJWOBJTTGJROA-ZHQIBRBESA-N 0 0 288.431 4.167 50 0 CIAARN COc1ccc2c(c1)/C(=C\C=C1C=CN(C)C=C1)C(C)=N2 ZINC000334157113 206121704 /nfs/dbraw/zinc/12/17/04/206121704.db2.gz LBSOPERNEIFODU-SOFYXZRVSA-N 0 0 278.355 4.084 50 0 CIAARN C[C@]12CCC(=O)[C@@H]1[C@@H]1CC[C@H]3CCCC[C@@]3(C)[C@@H]1CC2=O ZINC000257346284 190037471 /nfs/dbraw/zinc/03/74/71/190037471.db2.gz XJUREFZGEVDLKF-RVZOWXBASA-N 0 0 288.431 4.167 50 0 CIAARN CCCOc1c(Cl)ccc(Br)c1F ZINC000261493995 190039740 /nfs/dbraw/zinc/03/97/40/190039740.db2.gz NKWZJUXCCAYEFS-UHFFFAOYSA-N 0 0 267.525 4.030 50 0 CIAARN CCOc1cc(Br)c(F)c(C(F)(F)F)c1 ZINC000261493663 190039741 /nfs/dbraw/zinc/03/97/41/190039741.db2.gz GRYOPPPNUFYJSX-UHFFFAOYSA-N 0 0 287.050 4.006 50 0 CIAARN Fc1cc(F)c(OCc2ccccc2)cc1Cl ZINC000261493719 190039786 /nfs/dbraw/zinc/03/97/86/190039786.db2.gz HUUCXKJFBIYLID-UHFFFAOYSA-N 0 0 254.663 4.197 50 0 CIAARN COc1ccc2c(c1)CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)C[C@H](C)[C@H]21 ZINC000257357744 190037868 /nfs/dbraw/zinc/03/78/68/190037868.db2.gz PQNVDBWCOWGLQW-WGLJPUGVSA-N 0 0 298.426 4.366 50 0 CIAARN FC(F)Oc1cccc(Br)c1C(F)(F)F ZINC000263623581 190070514 /nfs/dbraw/zinc/07/05/14/190070514.db2.gz IRUBJZPVGCBSRN-UHFFFAOYSA-N 0 0 291.013 4.069 50 0 CIAARN O=C(NC1CCCC1)c1ccccc1Oc1ccccc1 ZINC000000038997 169513967 /nfs/dbraw/zinc/51/39/67/169513967.db2.gz SAGWZYWXDLXMCW-UHFFFAOYSA-N 0 0 281.355 4.151 50 0 CIAARN Cc1ccc(-c2csc(NC(=O)c3ccccc3)n2)cc1 ZINC000000043074 169515422 /nfs/dbraw/zinc/51/54/22/169515422.db2.gz PXHKIALRUYDGGN-UHFFFAOYSA-N 0 0 294.379 4.371 50 0 CIAARN COc1ccc2nc3c(nc2c1)-c1cccc2cccc-3c12 ZINC000000055217 169519625 /nfs/dbraw/zinc/51/96/25/169519625.db2.gz ZJBKWUKDIUSUAN-UHFFFAOYSA-N 0 0 284.318 4.439 50 0 CIAARN O=C(Cc1cccc(Cl)c1)Nc1ccc(Cl)cc1 ZINC000000059951 169522002 /nfs/dbraw/zinc/52/20/02/169522002.db2.gz KSVMQZLYBGCHSI-UHFFFAOYSA-N 0 0 280.154 4.175 50 0 CIAARN C[C@H](NC(=O)/C=C/c1ccccc1Cl)c1ccccc1 ZINC000000064079 169523121 /nfs/dbraw/zinc/52/31/21/169523121.db2.gz AFDGDZNJFOGGCA-YLSINNKHSA-N 0 0 285.774 4.231 50 0 CIAARN CCc1ccc(OC(=O)c2ccc(Cl)cc2)cc1 ZINC000000070786 169526041 /nfs/dbraw/zinc/52/60/41/169526041.db2.gz HGDXHIXHAIOTAW-UHFFFAOYSA-N 0 0 260.720 4.122 50 0 CIAARN O=C(Nc1nc2c(s1)Cc1ccccc1-2)c1cccs1 ZINC000000083045 169530320 /nfs/dbraw/zinc/53/03/20/169530320.db2.gz XUBMMWPFKCUDEQ-UHFFFAOYSA-N 0 0 298.392 4.028 50 0 CIAARN Nc1ccc(Sc2cc(Cl)ccc2Cl)nc1 ZINC000000092539 169533383 /nfs/dbraw/zinc/53/33/83/169533383.db2.gz SNXRLTPQEPXSJN-UHFFFAOYSA-N 0 0 271.172 4.122 50 0 CIAARN Cc1cc(C)cc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000000101553 169536324 /nfs/dbraw/zinc/53/63/24/169536324.db2.gz RLHLIMJZJKUOGM-UHFFFAOYSA-N 0 0 259.736 4.209 50 0 CIAARN O=C(N/C=C/c1ccsc1)Nc1cc(Cl)ccc1F ZINC000000116385 169541488 /nfs/dbraw/zinc/54/14/88/169541488.db2.gz GWXABNZUXSTVMW-HWKANZROSA-N 0 0 296.754 4.333 50 0 CIAARN Cc1nc(C)c(-c2nnc(-c3ccc(Cl)cc3)o2)s1 ZINC000000121819 169543524 /nfs/dbraw/zinc/54/35/24/169543524.db2.gz CFOHILLWAYTWLQ-UHFFFAOYSA-N 0 0 291.763 4.130 50 0 CIAARN CCOc1ccc(C(=O)Nc2c(C)cccc2Cl)cc1 ZINC000000123285 169544366 /nfs/dbraw/zinc/54/43/66/169544366.db2.gz GZDBWOJCJDKZCT-UHFFFAOYSA-N 0 0 289.762 4.299 50 0 CIAARN Cc1nc2sc3c(c2c(SC(F)F)n1)CCCC3 ZINC000000125644 169545195 /nfs/dbraw/zinc/54/51/95/169545195.db2.gz SVLXTVNTCNUDNH-UHFFFAOYSA-N 0 0 286.372 4.193 50 0 CIAARN CC(C)=CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000000145697 169553230 /nfs/dbraw/zinc/55/32/30/169553230.db2.gz MFJJSTOSYWTGQQ-UHFFFAOYSA-N 0 0 277.673 4.264 50 0 CIAARN C[C@H]1CCCC[C@H]1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000000141623 169552272 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C/C=C/C=C/C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000029027833 567153490 /nfs/dbraw/zinc/15/34/90/567153490.db2.gz KKVPTPYOJKISQE-DSXPNFDZSA-N 0 0 271.360 4.079 50 0 CIAARN CCc1ccc([C@H]2C[C@@H](C(F)F)n3nc(C)cc3N2)cc1 ZINC000002783615 567153615 /nfs/dbraw/zinc/15/36/15/567153615.db2.gz UIACVJCCUIDCJC-KGLIPLIRSA-N 0 0 291.345 4.117 50 0 CIAARN Cc1ccc([C@@H]2N[C@H](c3ccc(C)cc3)CC(=O)[C@H]2C)cc1 ZINC000057218380 567155317 /nfs/dbraw/zinc/15/53/17/567155317.db2.gz CIIGQBBCLUPVRT-MOXGXCLJSA-N 0 0 293.410 4.284 50 0 CIAARN CC1(C)[C@H](OC(=O)CCCC2CCCCC2)[C@@H]2CCO[C@H]21 ZINC000230215549 567159770 /nfs/dbraw/zinc/15/97/70/567159770.db2.gz RVKGKQBPDUVGGM-DJIMGWMZSA-N 0 0 294.435 4.094 50 0 CIAARN S=C(Nc1cccc2ccccc21)NC1CCCCC1 ZINC000003203281 567161964 /nfs/dbraw/zinc/16/19/64/567161964.db2.gz YQNAYSUOOGCTIN-UHFFFAOYSA-N 0 0 284.428 4.459 50 0 CIAARN C[C@H]1C[C@H](C)CN(C(=S)Nc2ccccc2Cl)C1 ZINC000003209065 567162007 /nfs/dbraw/zinc/16/20/07/567162007.db2.gz VQSVGBAQGZCZOV-QWRGUYRKSA-N 0 0 282.840 4.015 50 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Cc1noc2c1[C@H](CC(C)C)C1=C(CCCC1=O)N2 ZINC000102037181 567941423 /nfs/dbraw/zinc/94/14/23/567941423.db2.gz FKXKUJQTRPEZCV-JTQLQIEISA-N 0 0 260.337 4.195 50 0 CIAARN O=Cc1c(F)cccc1-c1c(F)cccc1Cl ZINC000395185283 570283731 /nfs/dbraw/zinc/28/37/31/570283731.db2.gz XQPARBWSTOKNCN-UHFFFAOYSA-N 0 0 252.647 4.098 50 0 CIAARN C[C@@H]1C[C@H](CC(=O)NC(C2CC2)C2CC2)CC(C)(C)C1 ZINC000170620580 570363549 /nfs/dbraw/zinc/36/35/49/570363549.db2.gz BASKVWDKOUQCMS-CHWSQXEVSA-N 0 0 277.452 4.144 50 0 CIAARN Cc1ccc(Cl)cc1NC(=O)N(C(C)C)C(C)C ZINC000000395435 570342191 /nfs/dbraw/zinc/34/21/91/570342191.db2.gz APEAUGNSZGEJGN-UHFFFAOYSA-N 0 0 268.788 4.299 50 0 CIAARN Cc1ccccc1[C@H](C)NC(=O)c1cnc2ccccc2c1 ZINC000241139445 566826450 /nfs/dbraw/zinc/82/64/50/566826450.db2.gz JQZPJYKORAYELA-AWEZNQCLSA-N 0 0 290.366 4.034 50 0 CIAARN C[C@]12CC(=O)C[C@@H]1[C@H]1CC[C@@H]3CC(=O)CC[C@]3(C)[C@@H]1CC2 ZINC000253590555 566832105 /nfs/dbraw/zinc/83/21/05/566832105.db2.gz HPGVUTVMDZKEBU-XHVLXZICSA-N 0 0 288.431 4.167 50 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