smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN[C@H](c1ccc(Br)s1)c1ccc2c(c1)CCCO2 ZINC000038057874 202094372 /nfs/dbraw/zinc/09/43/72/202094372.db2.gz JMYLOLUGDIWRGX-HNNXBMFYSA-N 0 3 338.270 4.144 10 0 EIAEHN COc1ccc(-c2cncc(CN3CCCC[C@H]3C)c2)cc1OC ZINC000037553874 202346497 /nfs/dbraw/zinc/34/64/97/202346497.db2.gz DSXFSPZVGLNIFQ-OAHLLOKOSA-N 0 3 326.440 4.140 10 0 EIAEHN CCOc1ccc(Cl)cc1[C@H](CN1CCN(C)CC1)[C@H](C)CC ZINC000022042331 201372700 /nfs/dbraw/zinc/37/27/00/201372700.db2.gz PTFMLNBMLFZOGC-CRAIPNDOSA-N 0 3 338.923 4.116 10 0 EIAEHN Fc1ccc(-c2nn(Cc3ccccc3Cl)c3c2CNCC3)cc1 ZINC000211644809 241084164 /nfs/dbraw/zinc/08/41/64/241084164.db2.gz PPALAZGZLBZXJT-UHFFFAOYSA-N 0 3 341.817 4.037 10 0 EIAEHN CCN(Cc1ccccc1)[C@H](CN)c1ccc(Br)s1 ZINC000020486335 212137670 /nfs/dbraw/zinc/13/76/70/212137670.db2.gz QFWKESBGNGTBBZ-CYBMUJFWSA-N 0 3 339.302 4.033 10 0 EIAEHN COc1c(Br)cc(Cl)cc1[C@H](N)c1cccc(C)c1 ZINC000019967869 212091361 /nfs/dbraw/zinc/09/13/61/212091361.db2.gz WYCMYRCELIEDIB-CQSZACIVSA-N 0 3 340.648 4.468 10 0 EIAEHN C[C@@H](N)c1cc(F)ccc1N(C)Cc1csc(Br)c1 ZINC000042362575 204088965 /nfs/dbraw/zinc/08/89/65/204088965.db2.gz YCMIVFYALWSTKI-SECBINFHSA-N 0 3 343.265 4.306 10 0 EIAEHN NCc1cc(F)c(Sc2ccc(Br)cc2)c(F)c1 ZINC000104298364 204105452 /nfs/dbraw/zinc/10/54/52/204105452.db2.gz LZSIZTCMOVGGOY-UHFFFAOYSA-N 0 3 330.197 4.337 10 0 EIAEHN NC[C@@H](Oc1ccc(Cl)cc1Br)c1ccccc1F ZINC000043047259 204208731 /nfs/dbraw/zinc/20/87/31/204208731.db2.gz WCRIKSJCODNMRA-CQSZACIVSA-N 0 3 344.611 4.320 10 0 EIAEHN CC[C@H]1CCCC[C@H]1O[C@@H](CN)c1ccccc1Br ZINC000043094678 204210291 /nfs/dbraw/zinc/21/02/91/204210291.db2.gz IVJLTLPUTUSJPV-MAZHCROVSA-N 0 3 326.278 4.434 10 0 EIAEHN Cc1ccc(Cl)c(O[C@@H](CN)c2ccc(Br)cc2)c1 ZINC000042958139 204184290 /nfs/dbraw/zinc/18/42/90/204184290.db2.gz XOSZDCUBDXDHAA-HNNXBMFYSA-N 0 3 340.648 4.490 10 0 EIAEHN NC[C@@H](Oc1ccc(F)cc1Cl)c1cccc(Br)c1 ZINC000043023934 204197666 /nfs/dbraw/zinc/19/76/66/204197666.db2.gz ULKKIJZIJCFIMY-CQSZACIVSA-N 0 3 344.611 4.320 10 0 EIAEHN Cc1ccc2c(N3CCN(Cc4ccccc4)CC3)ccnc2c1C ZINC000040175328 132398667 /nfs/dbraw/zinc/39/86/67/132398667.db2.gz KUJXCCSLHCGNLU-UHFFFAOYSA-N 0 3 331.463 4.174 10 0 EIAEHN Cc1ccc(C)c2c(N3CCN(Cc4ccccc4)CC3)ccnc12 ZINC000040175330 132399314 /nfs/dbraw/zinc/39/93/14/132399314.db2.gz OJZOVKPMJHUCMX-UHFFFAOYSA-N 0 3 331.463 4.174 10 0 EIAEHN CCOc1ccc(CNCc2ccc(C)cc2)cc1Br ZINC000010475384 563648420 /nfs/dbraw/zinc/64/84/20/563648420.db2.gz NYLWJWXQRSONCA-UHFFFAOYSA-N 0 3 334.257 4.446 10 0 EIAEHN OCCCCCNCc1cc(Cl)ccc1OCc1ccccc1 ZINC000013727034 563718759 /nfs/dbraw/zinc/71/87/59/563718759.db2.gz YGYLATFZDXXGBU-UHFFFAOYSA-N 0 3 333.859 4.171 10 0 EIAEHN Cc1csc(C2CCN(Cc3c[nH]nc3-c3ccccc3)CC2)n1 ZINC000092787360 1039592609 /nfs/dbraw/zinc/59/26/09/1039592609.db2.gz RQZBTPUUKUDZOC-UHFFFAOYSA-N 0 3 338.480 4.221 10 0 EIAEHN CN[C@@H](C)c1cc(Br)ccc1OCc1cccs1 ZINC000052067062 214114508 /nfs/dbraw/zinc/11/45/08/214114508.db2.gz QWRRALREOHDFGQ-JTQLQIEISA-N 0 3 326.259 4.370 10 0 EIAEHN N[C@H](c1ccc(Br)cc1)c1ccccc1Br ZINC000019432799 202007159 /nfs/dbraw/zinc/00/71/59/202007159.db2.gz GSEKFRSQPCOLHU-CYBMUJFWSA-N 0 3 341.046 4.260 10 0 EIAEHN NC(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000019504724 202009739 /nfs/dbraw/zinc/00/97/39/202009739.db2.gz MBZCWTKBXUYTJM-UHFFFAOYSA-N 0 3 341.046 4.260 10 0 EIAEHN COc1c(Cl)cc(CNCCc2ccccc2F)cc1Cl ZINC000020928440 202058765 /nfs/dbraw/zinc/05/87/65/202058765.db2.gz FWFPOLHRZDWBSK-UHFFFAOYSA-N 0 3 328.214 4.473 10 0 EIAEHN O=C(OCCN1CCCC[C@@H]1CCc1ccccc1)c1ccccc1 ZINC000033875306 202270375 /nfs/dbraw/zinc/27/03/75/202270375.db2.gz RWROXLLAKDRYIK-OAQYLSRUSA-N 0 3 337.463 4.331 10 0 EIAEHN CN[C@H](c1ccc(Br)s1)c1ccc(OC)c(C)c1 ZINC000035506092 202306284 /nfs/dbraw/zinc/30/62/84/202306284.db2.gz HTFCEZRUFYSPRG-AWEZNQCLSA-N 0 3 326.259 4.136 10 0 EIAEHN CCOc1ccc(Cl)cc1[C@H](CN1CCN(C)CC1)[C@@H](C)CC ZINC000022042335 201373165 /nfs/dbraw/zinc/37/31/65/201373165.db2.gz PTFMLNBMLFZOGC-MAUKXSAKSA-N 0 3 338.923 4.116 10 0 EIAEHN CCOc1ccc(Cl)cc1[C@@H](CN1CCN(C)CC1)[C@@H](C)CC ZINC000022042342 201372898 /nfs/dbraw/zinc/37/28/98/201372898.db2.gz PTFMLNBMLFZOGC-YJBOKZPZSA-N 0 3 338.923 4.116 10 0 EIAEHN COc1c(Br)cc(Cl)cc1[C@@H](N)c1cccc(C)c1 ZINC000019967868 212091784 /nfs/dbraw/zinc/09/17/84/212091784.db2.gz WYCMYRCELIEDIB-AWEZNQCLSA-N 0 3 340.648 4.468 10 0 EIAEHN CC(C)CN(CC(=O)c1cccc(Br)c1)CC(C)C ZINC000104156529 204098575 /nfs/dbraw/zinc/09/85/75/204098575.db2.gz PAXPICLRNYMSTH-UHFFFAOYSA-N 0 3 326.278 4.246 10 0 EIAEHN Cc1ccc(COc2ccccc2CNCCCOC(C)C)cc1 ZINC000013722012 563716857 /nfs/dbraw/zinc/71/68/57/563716857.db2.gz VCJDEIOURUODHQ-UHFFFAOYSA-N 0 3 327.468 4.479 10 0 EIAEHN COc1cc(CN2CCC[C@H](c3nccs3)C2)ccc1SC ZINC000109326787 1031300381 /nfs/dbraw/zinc/30/03/81/1031300381.db2.gz OLSVRTZADOYCIB-AWEZNQCLSA-N 0 3 334.510 4.253 10 0 EIAEHN N[C@H](c1ccc(Br)cc1)c1cccc(Br)c1 ZINC000019424607 202006907 /nfs/dbraw/zinc/00/69/07/202006907.db2.gz CIFKROMQIMJQGO-CYBMUJFWSA-N 0 3 341.046 4.260 10 0 EIAEHN NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 ZINC000021016229 202061353 /nfs/dbraw/zinc/06/13/53/202061353.db2.gz QUFWIDQUOJYCGA-CQSZACIVSA-N 0 3 327.280 4.113 10 0 EIAEHN N[C@@H](Cc1ccccc1)c1nc(-c2ccc(Br)s2)c[nH]1 ZINC000038002344 202082066 /nfs/dbraw/zinc/08/20/66/202082066.db2.gz YNIHFSASZGZSIT-NSHDSACASA-N 0 3 348.269 4.143 10 0 EIAEHN CCN1CCC[C@H]1CNCc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000035805214 202311025 /nfs/dbraw/zinc/31/10/25/202311025.db2.gz OBRGVHVIODPPAG-INIZCTEOSA-N 0 3 332.875 4.482 10 0 EIAEHN C[C@@H]1[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)[C@H](C)N1Cc1ccccc1 ZINC000068592883 202966632 /nfs/dbraw/zinc/96/66/32/202966632.db2.gz FWBIWXGKOUKNHP-DFGXFYAUSA-N 0 3 332.488 4.199 10 0 EIAEHN CNCc1cc(Cl)c(OCc2cccc(Cl)c2)c(OC)c1 ZINC000019777404 212065256 /nfs/dbraw/zinc/06/52/56/212065256.db2.gz GRPCXHMBPHTKIJ-UHFFFAOYSA-N 0 3 326.223 4.300 10 0 EIAEHN CCC1CCC(CNCc2ccc(I)o2)CC1 ZINC000103971477 204090354 /nfs/dbraw/zinc/09/03/54/204090354.db2.gz FMMCYCSGDHZTGG-UHFFFAOYSA-N 0 3 347.240 4.190 10 0 EIAEHN Cc1cc(Cl)ccc1O[C@@H](CN)c1ccccc1Br ZINC000043094468 204209336 /nfs/dbraw/zinc/20/93/36/204209336.db2.gz HZKPAOYBFQYPCS-HNNXBMFYSA-N 0 3 340.648 4.490 10 0 EIAEHN Cc1ccc(Cl)c(O[C@H](CN)c2ccccc2Br)c1 ZINC000043095265 204209665 /nfs/dbraw/zinc/20/96/65/204209665.db2.gz BYRADVAKQAXUFO-OAHLLOKOSA-N 0 3 340.648 4.490 10 0 EIAEHN Cc1cc(Cl)ccc1O[C@@H](CN)c1ccc(Br)cc1 ZINC000042957016 204183249 /nfs/dbraw/zinc/18/32/49/204183249.db2.gz CNDOYRIQOZABCG-HNNXBMFYSA-N 0 3 340.648 4.490 10 0 EIAEHN CC[C@H]1CCCC[C@H]1O[C@@H](CN)c1cccc(Br)c1 ZINC000043022980 204202776 /nfs/dbraw/zinc/20/27/76/204202776.db2.gz IIHCDQIVMWAWSQ-MAZHCROVSA-N 0 3 326.278 4.434 10 0 EIAEHN CCOc1cccc(CNCCOC)c1OCc1ccccc1Cl ZINC000013729813 207525990 /nfs/dbraw/zinc/52/59/90/207525990.db2.gz RMJXWGZZNKLJEV-UHFFFAOYSA-N 0 3 349.858 4.054 10 0 EIAEHN Cc1ccc(-c2ccc(CNCCCn3ccnc3)o2)cc1Cl ZINC000010314140 563646806 /nfs/dbraw/zinc/64/68/06/563646806.db2.gz VZDJIBOMTQFMSQ-UHFFFAOYSA-N 0 3 329.831 4.285 10 0 EIAEHN CC[C@H](C)N(Cc1cccn1-c1nccs1)Cc1ccncc1 ZINC000055327378 563934461 /nfs/dbraw/zinc/93/44/61/563934461.db2.gz VMJYRGZDKUWTDI-HNNXBMFYSA-N 0 3 326.469 4.130 10 0 EIAEHN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)N(Cc2ccccc2)[C@@H]1C ZINC000068592886 563963269 /nfs/dbraw/zinc/96/32/69/563963269.db2.gz FWBIWXGKOUKNHP-XLMAVXFVSA-N 0 3 332.488 4.199 10 0 EIAEHN CC(C)(C)OC(=O)N[C@H]1CCN[C@H](c2cc(Cl)cc(Cl)c2)C1 ZINC000675054264 564081129 /nfs/dbraw/zinc/08/11/29/564081129.db2.gz MPUWZIMGXDZBQC-KBPBESRZSA-N 0 3 345.270 4.311 10 0 EIAEHN COc1ccc(NC(=O)c2cccc3[nH]cc(CN4CCCC4)c32)cc1 ZINC000075483511 564086702 /nfs/dbraw/zinc/08/67/02/564086702.db2.gz CVEWRYAAUABIHD-UHFFFAOYSA-N 0 3 349.434 4.025 10 0 EIAEHN Cc1nc(-c2ccncc2)ncc1[C@H](C)NC/C=C/c1ccc(F)cc1 ZINC000055271480 564134808 /nfs/dbraw/zinc/13/48/08/564134808.db2.gz KTYOEJWBEOEIDU-BWPKMQGJSA-N 0 3 348.425 4.350 10 0 EIAEHN CCCN[C@H](Cc1ccc(Br)s1)c1ncccc1C ZINC000060701114 214646068 /nfs/dbraw/zinc/64/60/68/214646068.db2.gz PPAIQFYIQDLIPR-CYBMUJFWSA-N 0 3 339.302 4.497 10 0 EIAEHN CCCNCc1ccc(-c2c(F)cc(F)cc2Br)o1 ZINC000036819271 201797085 /nfs/dbraw/zinc/79/70/85/201797085.db2.gz AAXHEDLXBHYRJL-UHFFFAOYSA-N 0 3 330.172 4.487 10 0 EIAEHN CCOc1c(Cl)cc(CNC[C@@H](O)c2ccccc2)cc1Cl ZINC000020476847 202043727 /nfs/dbraw/zinc/04/37/27/202043727.db2.gz LVOLUQYMBKIWAG-MRXNPFEDSA-N 0 3 340.250 4.215 10 0 EIAEHN CCOc1c(Cl)cc(CNC[C@H](O)c2ccccc2)cc1Cl ZINC000020476849 202044195 /nfs/dbraw/zinc/04/41/95/202044195.db2.gz LVOLUQYMBKIWAG-INIZCTEOSA-N 0 3 340.250 4.215 10 0 EIAEHN Cc1nn(C)c(Oc2ccc(Cl)c(Cl)c2)c1CNC1CC1 ZINC000038001541 202079494 /nfs/dbraw/zinc/07/94/94/202079494.db2.gz LIMMDPZWLIMDGJ-UHFFFAOYSA-N 0 3 326.227 4.080 10 0 EIAEHN CN[C@@H](c1ccc(Br)s1)c1ccc2c(c1)CCCO2 ZINC000038057875 202094141 /nfs/dbraw/zinc/09/41/41/202094141.db2.gz JMYLOLUGDIWRGX-OAHLLOKOSA-N 0 3 338.270 4.144 10 0 EIAEHN COc1ccc([C@H](N)c2cc(Br)ccc2Cl)cc1F ZINC000035424441 213027493 /nfs/dbraw/zinc/02/74/93/213027493.db2.gz SUGYOIQSHXEMQL-AWEZNQCLSA-N 0 3 344.611 4.298 10 0 EIAEHN CCN[C@H](c1cccs1)c1cc(Br)ccc1OC ZINC000035508798 202305915 /nfs/dbraw/zinc/30/59/15/202305915.db2.gz IEIVNRKGINRZJC-AWEZNQCLSA-N 0 3 326.259 4.218 10 0 EIAEHN COc1ccc(Br)cc1[C@H](N)Cc1ccccc1Cl ZINC000020586665 212149660 /nfs/dbraw/zinc/14/96/60/212149660.db2.gz YKLWWIBAAFRWGN-CQSZACIVSA-N 0 3 340.648 4.354 10 0 EIAEHN C[C@H](N)c1c(F)cccc1N(C)Cc1csc(Br)c1 ZINC000042362586 204088760 /nfs/dbraw/zinc/08/87/60/204088760.db2.gz KPZWUFIKKSDYNL-VIFPVBQESA-N 0 3 343.265 4.306 10 0 EIAEHN CSc1ccccc1O[C@@H](CN)c1cc(Br)cs1 ZINC000104327904 204104260 /nfs/dbraw/zinc/10/42/60/204104260.db2.gz TWGXRJDOOXGQPT-NSHDSACASA-N 0 3 344.299 4.311 10 0 EIAEHN Cc1cc(Cl)ccc1O[C@H](CN)c1ccccc1Br ZINC000043094470 204209456 /nfs/dbraw/zinc/20/94/56/204209456.db2.gz HZKPAOYBFQYPCS-OAHLLOKOSA-N 0 3 340.648 4.490 10 0 EIAEHN CC[C@@H]1CCCC[C@H]1O[C@@H](CN)c1ccccc1Br ZINC000043094676 204210494 /nfs/dbraw/zinc/21/04/94/204210494.db2.gz IVJLTLPUTUSJPV-WQVCFCJDSA-N 0 3 326.278 4.434 10 0 EIAEHN C[C@@H]1C[C@H](C)N(Cc2ccccc2)[C@@H](C)[C@H]1NC(=O)OC(C)(C)C ZINC000238856599 258001156 /nfs/dbraw/zinc/00/11/56/258001156.db2.gz WJXVFKYBSHGCGK-CVYDXHPNSA-N 0 3 332.488 4.199 10 0 EIAEHN C[C@@H]1[C@H](C)[C@@H](C)N(Cc2ccccc2)[C@@H](C)[C@H]1NC(=O)OC(C)(C)C ZINC000068593243 563963274 /nfs/dbraw/zinc/96/32/74/563963274.db2.gz ILMMOMVUQUFKMT-ATIFRJIPSA-N 0 3 346.515 4.445 10 0 EIAEHN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H](C)N(Cc2ccccc2)[C@@H]1C ZINC000068592881 563963281 /nfs/dbraw/zinc/96/32/81/563963281.db2.gz FWBIWXGKOUKNHP-CBZIJGRNSA-N 0 3 332.488 4.199 10 0 EIAEHN FC1(F)CCC(CCNCc2cccnc2Br)CC1 ZINC000725269307 563987633 /nfs/dbraw/zinc/98/76/33/563987633.db2.gz PJRLIJIJYIYQLH-UHFFFAOYSA-N 0 3 333.220 4.149 10 0 EIAEHN CC(C)(C)OC(=O)N[C@@H]1CCN[C@H](c2cccc(Cl)c2Cl)C1 ZINC000675053542 564080347 /nfs/dbraw/zinc/08/03/47/564080347.db2.gz IXGZMADPYWQMGL-MFKMUULPSA-N 0 3 345.270 4.311 10 0 EIAEHN CC(C)(C)c1ccc(CN2CCC[C@H](c3n[nH]cc3C(N)=O)C2)s1 ZINC000328603126 564136834 /nfs/dbraw/zinc/13/68/34/564136834.db2.gz DWVREGKMUFOSIY-LBPRGKRZSA-N 0 3 346.500 4.032 10 0 EIAEHN CCCn1nc(C)c(CN2CCC(c3nc(C)cs3)CC2)c1C ZINC000092787309 1039593656 /nfs/dbraw/zinc/59/36/56/1039593656.db2.gz PKPDCNCUYJBSQR-UHFFFAOYSA-N 0 3 332.517 4.054 10 0 EIAEHN COc1c(Br)cc(Cl)cc1[C@H](N)c1ccc(F)cc1 ZINC000019967865 212091403 /nfs/dbraw/zinc/09/14/03/212091403.db2.gz OWDBWWJQSUPRKX-CYBMUJFWSA-N 0 3 344.611 4.298 10 0 EIAEHN COc1ccc2c(c1)C[C@H](CC1CCN(Cc3ccccc3)CC1)C2=O ZINC000003789950 210074483 /nfs/dbraw/zinc/07/44/83/210074483.db2.gz JTEWUJTVAGRGLE-FQEVSTJZSA-N 0 3 349.474 4.353 10 0 EIAEHN N[C@@H]1CN(Cc2cccc(Cl)c2)c2ccc(Br)cc21 ZINC000019795879 202020794 /nfs/dbraw/zinc/02/07/94/202020794.db2.gz KUTKOWKJQBDPLF-CQSZACIVSA-N 0 3 337.648 4.123 10 0 EIAEHN COc1ccc([C@@H](N)c2ccc(Br)cc2)cc1Cl ZINC000020521894 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CN[C@H](c1ccc(C)s1)c1cc(Br)ccc1OC ZINC000035455973 213029733 /nfs/dbraw/zinc/02/97/33/213029733.db2.gz SLRCDOHOUZIIRQ-AWEZNQCLSA-N 0 3 326.259 4.136 10 0 EIAEHN C[C@H](Nc1cnccc1N(C)C)c1ccc(Br)s1 ZINC000038002507 213187573 /nfs/dbraw/zinc/18/75/73/213187573.db2.gz YKFATGPZMGNGEJ-VIFPVBQESA-N 0 3 326.263 4.145 10 0 EIAEHN Fc1ccccc1CN1CCC[C@@H](NCc2cc3ccccc3o2)C1 ZINC000022853626 212329232 /nfs/dbraw/zinc/32/92/32/212329232.db2.gz QLRVVIILPGOPNF-GOSISDBHSA-N 0 3 338.426 4.326 10 0 EIAEHN COc1c(Br)cc(Cl)cc1[C@H](N)c1ccccc1 ZINC000019967883 212091550 /nfs/dbraw/zinc/09/15/50/212091550.db2.gz CBSBWLVIGLZCQX-CYBMUJFWSA-N 0 3 326.621 4.159 10 0 EIAEHN N[C@H]1CN(Cc2cccc(Cl)c2)c2ccc(Br)cc21 ZINC000019795881 212069390 /nfs/dbraw/zinc/06/93/90/212069390.db2.gz KUTKOWKJQBDPLF-AWEZNQCLSA-N 0 3 337.648 4.123 10 0 EIAEHN CNCc1cc(Br)ccc1OCc1cccc(Cl)c1 ZINC000019777234 212065863 /nfs/dbraw/zinc/06/58/63/212065863.db2.gz HMPUCOJJONVSDW-UHFFFAOYSA-N 0 3 340.648 4.401 10 0 EIAEHN CC(=O)c1nc2ccccc2n1C[C@@H]1CCCCN1Cc1ccccc1 ZINC000095082703 218274837 /nfs/dbraw/zinc/27/48/37/218274837.db2.gz ZOYOMJJFDUHFQE-IBGZPJMESA-N 0 3 347.462 4.294 10 0 EIAEHN CCNCc1cnc(Oc2cccc(Br)c2)c(Cl)c1 ZINC000051549493 214096458 /nfs/dbraw/zinc/09/64/58/214096458.db2.gz IQCCZZIVRJUDFZ-UHFFFAOYSA-N 0 3 341.636 4.399 10 0 EIAEHN CN(CCNc1ccc(Br)cc1)Cc1ccsc1 ZINC000053381420 214180049 /nfs/dbraw/zinc/18/00/49/214180049.db2.gz BRIWUDPYLHJOHE-UHFFFAOYSA-N 0 3 325.275 4.055 10 0 EIAEHN C[C@H](c1cccs1)N(C)c1cc(Br)ccc1CN ZINC000049727890 214030643 /nfs/dbraw/zinc/03/06/43/214030643.db2.gz UHIRUVXJZJAPOZ-SNVBAGLBSA-N 0 3 325.275 4.167 10 0 EIAEHN CCn1c2ccc(Br)cc2nc1[C@H](N)C1CCCCC1 ZINC000038036832 213195063 /nfs/dbraw/zinc/19/50/63/213195063.db2.gz VPJFXUSDUOHJPU-OAHLLOKOSA-N 0 3 336.277 4.399 10 0 EIAEHN CC[C@@H](C)NC(=O)CCN[C@H](CC)c1ccc(Cl)cc1Cl ZINC000038014007 213190318 /nfs/dbraw/zinc/19/03/18/213190318.db2.gz YPPWZCWCNSIABS-IAQYHMDHSA-N 0 3 331.287 4.339 10 0 EIAEHN COc1ccc([C@H](N)c2ccc(Br)cc2C)cc1Cl ZINC000036829672 213121806 /nfs/dbraw/zinc/12/18/06/213121806.db2.gz PNPXWTJUQXKLPB-HNNXBMFYSA-N 0 3 340.648 4.468 10 0 EIAEHN CCN[C@H](c1ccsc1)c1ccc(OC)c(Br)c1 ZINC000035508128 213034249 /nfs/dbraw/zinc/03/42/49/213034249.db2.gz OAUBXVUZWQSYQU-AWEZNQCLSA-N 0 3 326.259 4.218 10 0 EIAEHN CN[C@@H](c1cccc(Br)c1)c1ccc(OC)c(Cl)c1 ZINC000035461866 213030000 /nfs/dbraw/zinc/03/00/00/213030000.db2.gz ZYTJENFGMPBDIZ-HNNXBMFYSA-N 0 3 340.648 4.420 10 0 EIAEHN COc1ccc([C@@H](N)c2ccccc2Br)cc1Cl ZINC000020521912 212143592 /nfs/dbraw/zinc/14/35/92/212143592.db2.gz MYAUWWISVANSFA-CQSZACIVSA-N 0 3 326.621 4.159 10 0 EIAEHN COc1c(Br)cc(Cl)cc1[C@@H](N)c1ccccc1 ZINC000019967882 212091311 /nfs/dbraw/zinc/09/13/11/212091311.db2.gz CBSBWLVIGLZCQX-ZDUSSCGKSA-N 0 3 326.621 4.159 10 0 EIAEHN CCOc1ccc2c(c1)OC(C)(C)[C@@H](c1ccc(OC)cc1)[C@H]2N ZINC000011849244 211257895 /nfs/dbraw/zinc/25/78/95/211257895.db2.gz DEXGTLNAPMYXGF-OALUTQOASA-N 0 3 327.424 4.049 10 0 EIAEHN Cc1ccccc1Cn1nc(-c2ccc(Cl)cc2)c2c1CNCC2 ZINC000117954832 221102494 /nfs/dbraw/zinc/10/24/94/221102494.db2.gz BFEIHVMKVIJYDO-UHFFFAOYSA-N 0 3 337.854 4.206 10 0 EIAEHN Fc1ccc(CN2CC[C@@H](OCC3CC3)[C@H]2Cc2ccccc2)cc1 ZINC000503716614 257832001 /nfs/dbraw/zinc/83/20/01/257832001.db2.gz INXLQNBGBSRBNY-FGZHOGPDSA-N 0 3 339.454 4.438 10 0 EIAEHN Clc1ccc2nccc(N3CCN(Cc4ccccc4)CC3)c2c1 ZINC000040175334 132399250 /nfs/dbraw/zinc/39/92/50/132399250.db2.gz HFBHCVFIXOEDQC-UHFFFAOYSA-N 0 3 337.854 4.210 10 0 EIAEHN COCCCNCc1ccc(-c2ccc(Br)cc2C)o1 ZINC000013722620 563717151 /nfs/dbraw/zinc/71/71/51/563717151.db2.gz GCYZKFLQWQTNAR-UHFFFAOYSA-N 0 3 338.245 4.144 10 0 EIAEHN CC(C)(C)OC(=O)N[C@H]1CCN[C@@H](c2ccc(Cl)cc2Cl)C1 ZINC000675055706 564111872 /nfs/dbraw/zinc/11/18/72/564111872.db2.gz WUHYLLHABIQYBM-SMDDNHRTSA-N 0 3 345.270 4.311 10 0 EIAEHN