smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]([NH2+]Cc1ccccc1)c1cc2cc(Br)ccc2o1 ZINC000019899604 212080704 /nfs/dbraw/zinc/08/07/04/212080704.db2.gz CEJLSXCOPCRUEU-GFCCVEGCSA-N 1 0 330.225 5.046 20 0 EKADRO C[C@H]([NH2+]Cc1ccccc1)c1cc2cc(Br)ccc2o1 ZINC000019899605 212081228 /nfs/dbraw/zinc/08/12/28/212081228.db2.gz CEJLSXCOPCRUEU-LBPRGKRZSA-N 1 0 330.225 5.046 20 0 EKADRO C[C@@H]([NH2+]Cc1ccc(Br)s1)c1ccccc1Cl ZINC000020124110 202033183 /nfs/dbraw/zinc/03/31/83/202033183.db2.gz AOBUOHTWPYYTRH-SECBINFHSA-N 1 0 330.678 5.015 20 0 EKADRO C[C@H]([NH2+]Cc1ccc(Br)s1)c1ccccc1Cl ZINC000020124111 212104600 /nfs/dbraw/zinc/10/46/00/212104600.db2.gz AOBUOHTWPYYTRH-VIFPVBQESA-N 1 0 330.678 5.015 20 0 EKADRO C[C@@H]([NH2+]Cc1ccc(Br)s1)c1cccc(Cl)c1 ZINC000020124300 212104605 /nfs/dbraw/zinc/10/46/05/212104605.db2.gz YUVNLQVDMVWFSW-SECBINFHSA-N 1 0 330.678 5.015 20 0 EKADRO C[C@H]([NH2+]Cc1ccc(Br)s1)c1cccc(Cl)c1 ZINC000020124301 212104151 /nfs/dbraw/zinc/10/41/51/212104151.db2.gz YUVNLQVDMVWFSW-VIFPVBQESA-N 1 0 330.678 5.015 20 0 EKADRO C[C@@H]([NH2+]Cc1cc(Br)cs1)c1cccc2ccccc21 ZINC000020306398 212117984 /nfs/dbraw/zinc/11/79/84/212117984.db2.gz BJHKQPOECSMNTH-GFCCVEGCSA-N 1 0 346.293 5.515 20 0 EKADRO C[C@H]([NH2+]Cc1cc(Br)cs1)c1cccc2ccccc21 ZINC000020306399 212118059 /nfs/dbraw/zinc/11/80/59/212118059.db2.gz BJHKQPOECSMNTH-LBPRGKRZSA-N 1 0 346.293 5.515 20 0 EKADRO C[C@H]([NH2+]Cc1ccc(Br)s1)c1cc2ccccc2o1 ZINC000026313586 212514171 /nfs/dbraw/zinc/51/41/71/212514171.db2.gz AQGNTHIFYYGLIO-JTQLQIEISA-N 1 0 336.254 5.108 20 0 EKADRO CC(C)C[C@H]([NH2+]Cc1ccc(Br)s1)c1ccccc1 ZINC000035012753 213003456 /nfs/dbraw/zinc/00/34/56/213003456.db2.gz DBFOMFHOZSGQIZ-HNNXBMFYSA-N 1 0 338.314 5.388 20 0 EKADRO C[C@H]([NH2+]Cc1ccc(Cl)s1)c1ccccc1Br ZINC000035045864 202284623 /nfs/dbraw/zinc/28/46/23/202284623.db2.gz SWWPKFSXSCRUDO-VIFPVBQESA-N 1 0 330.678 5.015 20 0 EKADRO C[C@@H]([NH2+]Cc1ccc(Cl)s1)c1ccccc1Br ZINC000035045866 213005596 /nfs/dbraw/zinc/00/55/96/213005596.db2.gz SWWPKFSXSCRUDO-SECBINFHSA-N 1 0 330.678 5.015 20 0 EKADRO Cc1cc([C@@H](C)[NH2+]Cc2ccc(Br)cc2F)c(C)s1 ZINC000035252907 213015706 /nfs/dbraw/zinc/01/57/06/213015706.db2.gz GKTPOVNFDSGRBK-SNVBAGLBSA-N 1 0 342.277 5.117 20 0 EKADRO Cc1cc([C@@H](C)[NH2+]Cc2ccc(F)c(Br)c2)c(C)s1 ZINC000035252948 213015424 /nfs/dbraw/zinc/01/54/24/213015424.db2.gz MISTWLCEKPZZKJ-SNVBAGLBSA-N 1 0 342.277 5.117 20 0 EKADRO Cc1cc([C@H](C)[NH2+]Cc2ccc(F)c(Br)c2)c(C)s1 ZINC000035252950 213015692 /nfs/dbraw/zinc/01/56/92/213015692.db2.gz MISTWLCEKPZZKJ-JTQLQIEISA-N 1 0 342.277 5.117 20 0 EKADRO CC(C)(C)[C@H]([NH2+]Cc1ccc(Br)s1)c1ccccc1 ZINC000035255435 213015353 /nfs/dbraw/zinc/01/53/53/213015353.db2.gz IWRHNGAQQPSYRK-OAHLLOKOSA-N 1 0 338.314 5.388 20 0 EKADRO CC(C)(C)[C@@H]([NH2+]Cc1ccc(Br)s1)c1ccccc1 ZINC000035255436 213015500 /nfs/dbraw/zinc/01/55/00/213015500.db2.gz IWRHNGAQQPSYRK-HNNXBMFYSA-N 1 0 338.314 5.388 20 0 EKADRO CC(C)C[C@H]([NH2+]Cc1csc(Br)c1)c1ccccc1 ZINC000035256030 213015530 /nfs/dbraw/zinc/01/55/30/213015530.db2.gz MTNPFKPGZQJMEM-HNNXBMFYSA-N 1 0 338.314 5.388 20 0 EKADRO CC(C)C[C@@H]([NH2+]Cc1csc(Br)c1)c1ccccc1 ZINC000035256031 213015876 /nfs/dbraw/zinc/01/58/76/213015876.db2.gz MTNPFKPGZQJMEM-OAHLLOKOSA-N 1 0 338.314 5.388 20 0 EKADRO CSc1ccc([C@@H](C)[NH2+]Cc2ccccc2Br)cc1 ZINC000035256480 201649730 /nfs/dbraw/zinc/64/97/30/201649730.db2.gz RVQLFTKMPALQKQ-GFCCVEGCSA-N 1 0 336.298 5.022 20 0 EKADRO C[C@H]([NH2+]Cc1ccc(Br)cc1F)c1ccc(Cl)cc1 ZINC000036984894 213128962 /nfs/dbraw/zinc/12/89/62/213128962.db2.gz HVMKFRMHDJFWRC-JTQLQIEISA-N 1 0 342.639 5.092 20 0 EKADRO C[C@@H]([NH2+]Cc1ccc(Br)cc1F)c1ccc(Cl)cc1 ZINC000036984895 213128843 /nfs/dbraw/zinc/12/88/43/213128843.db2.gz HVMKFRMHDJFWRC-SNVBAGLBSA-N 1 0 342.639 5.092 20 0 EKADRO CC(C)([NH2+]Cc1ccccc1Cl)c1ccc(Br)cc1 ZINC000037128980 213132762 /nfs/dbraw/zinc/13/27/62/213132762.db2.gz QKUFIDWDDZVKAS-UHFFFAOYSA-N 1 0 338.676 5.127 20 0 EKADRO CC(C)([NH2+]Cc1cccc(Cl)c1)c1ccc(Br)cc1 ZINC000037129040 213132929 /nfs/dbraw/zinc/13/29/29/213132929.db2.gz RBWFOCSONWMQOE-UHFFFAOYSA-N 1 0 338.676 5.127 20 0 EKADRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1)c1ccc(F)c(Br)c1 ZINC000037243278 213136723 /nfs/dbraw/zinc/13/67/23/213136723.db2.gz SWXJTYZJFBSDTF-SNVBAGLBSA-N 1 0 342.639 5.092 20 0 EKADRO C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)c1sccc1Br ZINC000037303889 213139371 /nfs/dbraw/zinc/13/93/71/213139371.db2.gz MZQVSJWLSSMSQB-NHYWBVRUSA-N 1 0 336.298 5.313 20 0 EKADRO C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)c1sccc1Br ZINC000037303893 213139578 /nfs/dbraw/zinc/13/95/78/213139578.db2.gz MZQVSJWLSSMSQB-XHDPSFHLSA-N 1 0 336.298 5.313 20 0 EKADRO C[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)c1sccc1Br ZINC000037303895 213139551 /nfs/dbraw/zinc/13/95/51/213139551.db2.gz MZQVSJWLSSMSQB-IAQYHMDHSA-N 1 0 336.298 5.313 20 0 EKADRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(C)c2)cc1Br ZINC000037313909 213139518 /nfs/dbraw/zinc/13/95/18/213139518.db2.gz OFOHYQGVKFJRBM-KBPBESRZSA-N 1 0 348.284 5.178 20 0 EKADRO C[C@H]([NH2+]Cc1ccccc1Cl)c1ccc(Br)s1 ZINC000038001681 202384387 /nfs/dbraw/zinc/38/43/87/202384387.db2.gz PINXGIVXGTZFFY-VIFPVBQESA-N 1 0 330.678 5.015 20 0 EKADRO C[C@@H]([NH2+]Cc1ccccc1Cl)c1ccc(Br)s1 ZINC000038001682 213186007 /nfs/dbraw/zinc/18/60/07/213186007.db2.gz PINXGIVXGTZFFY-SECBINFHSA-N 1 0 330.678 5.015 20 0 EKADRO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1)c1ccc(Br)s1 ZINC000038001846 213185764 /nfs/dbraw/zinc/18/57/64/213185764.db2.gz KKYZTYSGQBCWAG-UWVGGRQHSA-N 1 0 328.250 5.062 20 0 EKADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)s1)c1ccc(F)cc1 ZINC000038001847 202384434 /nfs/dbraw/zinc/38/44/34/202384434.db2.gz KKYZTYSGQBCWAG-ZJUUUORDSA-N 1 0 328.250 5.062 20 0 EKADRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1)c1ccc(Br)s1 ZINC000038001848 213186459 /nfs/dbraw/zinc/18/64/59/213186459.db2.gz KKYZTYSGQBCWAG-VHSXEESVSA-N 1 0 328.250 5.062 20 0 EKADRO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1)c1ccc(Br)s1 ZINC000038001849 213186536 /nfs/dbraw/zinc/18/65/36/213186536.db2.gz KKYZTYSGQBCWAG-NXEZZACHSA-N 1 0 328.250 5.062 20 0 EKADRO C[C@H]([NH2+][C@@H](C)c1cccc(F)c1)c1ccc(Br)s1 ZINC000038002059 213186344 /nfs/dbraw/zinc/18/63/44/213186344.db2.gz UZPUCWFHWSWTIR-UWVGGRQHSA-N 1 0 328.250 5.062 20 0 EKADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)s1)c1cccc(F)c1 ZINC000038002060 202384610 /nfs/dbraw/zinc/38/46/10/202384610.db2.gz UZPUCWFHWSWTIR-ZJUUUORDSA-N 1 0 328.250 5.062 20 0 EKADRO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)c1ccc(Br)s1 ZINC000038002061 213185645 /nfs/dbraw/zinc/18/56/45/213185645.db2.gz UZPUCWFHWSWTIR-VHSXEESVSA-N 1 0 328.250 5.062 20 0 EKADRO C[C@@H]([NH2+][C@H](C)c1cccc(F)c1)c1ccc(Br)s1 ZINC000038002062 213186002 /nfs/dbraw/zinc/18/60/02/213186002.db2.gz UZPUCWFHWSWTIR-NXEZZACHSA-N 1 0 328.250 5.062 20 0 EKADRO C[C@H]([NH2+]Cc1ccc(Cl)cc1)c1ccc(Br)s1 ZINC000038002160 213187588 /nfs/dbraw/zinc/18/75/88/213187588.db2.gz ACTWROQCVOKCEQ-VIFPVBQESA-N 1 0 330.678 5.015 20 0 EKADRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1)c1ccc(Br)s1 ZINC000038002161 213186792 /nfs/dbraw/zinc/18/67/92/213186792.db2.gz ACTWROQCVOKCEQ-SECBINFHSA-N 1 0 330.678 5.015 20 0 EKADRO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(Br)s2)c(C)s1 ZINC000038003101 213186892 /nfs/dbraw/zinc/18/68/92/213186892.db2.gz DCECZYQWJWELGV-ZJUUUORDSA-N 1 0 344.343 5.601 20 0 EKADRO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(Br)s2)c(C)s1 ZINC000038003102 213187725 /nfs/dbraw/zinc/18/77/25/213187725.db2.gz DCECZYQWJWELGV-UWVGGRQHSA-N 1 0 344.343 5.601 20 0 EKADRO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(Br)s2)c(C)s1 ZINC000038003103 202385145 /nfs/dbraw/zinc/38/51/45/202385145.db2.gz DCECZYQWJWELGV-NXEZZACHSA-N 1 0 344.343 5.601 20 0 EKADRO Cc1cc([C@H](C)[NH2+][C@H](C)c2ccc(Br)s2)c(C)s1 ZINC000038003104 213186873 /nfs/dbraw/zinc/18/68/73/213186873.db2.gz DCECZYQWJWELGV-VHSXEESVSA-N 1 0 344.343 5.601 20 0 EKADRO C[C@H]([NH2+][C@@H](C)c1ccccc1F)c1ccc(Br)s1 ZINC000038003385 202385632 /nfs/dbraw/zinc/38/56/32/202385632.db2.gz ZVLFEDYYMDOZGC-UWVGGRQHSA-N 1 0 328.250 5.062 20 0 EKADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)s1)c1ccccc1F ZINC000038003386 213186858 /nfs/dbraw/zinc/18/68/58/213186858.db2.gz ZVLFEDYYMDOZGC-ZJUUUORDSA-N 1 0 328.250 5.062 20 0 EKADRO C[C@@H]([NH2+][C@@H](C)c1ccccc1F)c1ccc(Br)s1 ZINC000038003387 202385155 /nfs/dbraw/zinc/38/51/55/202385155.db2.gz ZVLFEDYYMDOZGC-VHSXEESVSA-N 1 0 328.250 5.062 20 0 EKADRO C[C@@H]([NH2+][C@H](C)c1ccccc1F)c1ccc(Br)s1 ZINC000038003388 213187062 /nfs/dbraw/zinc/18/70/62/213187062.db2.gz ZVLFEDYYMDOZGC-NXEZZACHSA-N 1 0 328.250 5.062 20 0 EKADRO C[C@H]([NH2+]Cc1ccc(Br)s1)c1ccc(F)cc1Cl ZINC000038018251 213189985 /nfs/dbraw/zinc/18/99/85/213189985.db2.gz ABJOAPGSUQBMSU-QMMMGPOBSA-N 1 0 348.668 5.154 20 0 EKADRO C[C@@H]([NH2+]Cc1ccc(Br)s1)c1ccc(F)cc1Cl ZINC000038018252 213190556 /nfs/dbraw/zinc/19/05/56/213190556.db2.gz ABJOAPGSUQBMSU-MRVPVSSYSA-N 1 0 348.668 5.154 20 0 EKADRO C[C@H]([NH2+]Cc1ccc(Br)s1)c1ccc(F)c(Cl)c1 ZINC000038018409 213189972 /nfs/dbraw/zinc/18/99/72/213189972.db2.gz ODIBFQCIJFMAJI-QMMMGPOBSA-N 1 0 348.668 5.154 20 0 EKADRO C[C@@H]([NH2+]Cc1ccc(Br)s1)c1ccc(F)c(Cl)c1 ZINC000038018410 213190124 /nfs/dbraw/zinc/19/01/24/213190124.db2.gz ODIBFQCIJFMAJI-MRVPVSSYSA-N 1 0 348.668 5.154 20 0 EKADRO C[C@@H]([NH2+][C@@H](c1cccs1)C1CC1)c1cccc(Br)c1 ZINC000042329620 213495033 /nfs/dbraw/zinc/49/50/33/213495033.db2.gz CJRQIWZHIYCFNE-BDJLRTHQSA-N 1 0 336.298 5.313 20 0 EKADRO C[C@H]([NH2+][C@H](c1cccs1)C1CC1)c1ccc(Br)cc1 ZINC000042331738 204087154 /nfs/dbraw/zinc/08/71/54/204087154.db2.gz VZHQVDCNRZFTJS-ZBEGNZNMSA-N 1 0 336.298 5.313 20 0 EKADRO CC[C@H]([NH2+][C@@H](C)c1ccc(Br)s1)c1cccs1 ZINC000049529630 214015620 /nfs/dbraw/zinc/01/56/20/214015620.db2.gz VENPMHNXNKGMIK-UWVGGRQHSA-N 1 0 330.316 5.374 20 0 EKADRO CC[C@H]([NH2+][C@H](C)c1ccc(Br)s1)c1cccs1 ZINC000049529632 214015016 /nfs/dbraw/zinc/01/50/16/214015016.db2.gz VENPMHNXNKGMIK-ZJUUUORDSA-N 1 0 330.316 5.374 20 0 EKADRO Brc1ccc(C[NH2+]Cc2csc3ccccc23)s1 ZINC000055483250 214326521 /nfs/dbraw/zinc/32/65/21/214326521.db2.gz BUWIWSOXMXNCKT-UHFFFAOYSA-N 1 0 338.295 5.015 20 0 EKADRO C[C@H]([NH2+]Cc1coc(-c2ccc(F)cc2)n1)c1cccc2ccccc21 ZINC000072101782 216007940 /nfs/dbraw/zinc/00/79/40/216007940.db2.gz WVVNYNDCQSQTPU-HNNXBMFYSA-N 1 0 346.405 5.485 20 0 EKADRO C[C@@H]([NH2+]Cc1coc(-c2ccc(F)cc2)n1)c1cccc2ccccc21 ZINC000072101783 216008871 /nfs/dbraw/zinc/00/88/71/216008871.db2.gz WVVNYNDCQSQTPU-OAHLLOKOSA-N 1 0 346.405 5.485 20 0 EKADRO c1csc(-c2cnc(C[N@@H+]3CCC[C@@H](c4ccccc4)CC3)o2)c1 ZINC000078583005 217080975 /nfs/dbraw/zinc/08/09/75/217080975.db2.gz BLCVVBAJEKLEAN-QGZVFWFLSA-N 1 0 338.476 5.173 20 0 EKADRO c1csc(-c2cnc(C[N@@H+]3CCC[C@H](c4ccccc4)CC3)o2)c1 ZINC000078583009 217080727 /nfs/dbraw/zinc/08/07/27/217080727.db2.gz BLCVVBAJEKLEAN-KRWDZBQOSA-N 1 0 338.476 5.173 20 0 EKADRO CCOc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC000078671865 217099103 /nfs/dbraw/zinc/09/91/03/217099103.db2.gz DPDCQNQFCXOYAF-KBPBESRZSA-N 1 0 337.385 5.516 20 0 EKADRO CCOc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC000078671870 217099059 /nfs/dbraw/zinc/09/90/59/217099059.db2.gz DPDCQNQFCXOYAF-ZIAGYGMSSA-N 1 0 337.385 5.516 20 0 EKADRO CC(C)(C)[C@@H]1CCC[N@H+](Cc2nnc(-c3cccc(Cl)c3)o2)CC1 ZINC000078759540 217114911 /nfs/dbraw/zinc/11/49/11/217114911.db2.gz RQGFBZWPHKBKRT-OAHLLOKOSA-N 1 0 347.890 5.038 20 0 EKADRO COc1cc(C[N@@H+]2CCCCC[C@H]2c2ccco2)ccc1SC ZINC000078830917 217130676 /nfs/dbraw/zinc/13/06/76/217130676.db2.gz VIEYQVCHDGZONA-INIZCTEOSA-N 1 0 331.481 5.127 20 0 EKADRO CC(C)(C)[C@@H]([NH2+]Cc1coc(-c2cccs2)n1)c1ccccc1 ZINC000097079267 218939048 /nfs/dbraw/zinc/93/90/48/218939048.db2.gz ZHQPDQBNPBTJRN-KRWDZBQOSA-N 1 0 326.465 5.280 20 0 EKADRO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1F)c1ccc(C(F)(F)F)cc1 ZINC000097393553 219020756 /nfs/dbraw/zinc/02/07/56/219020756.db2.gz HGENFKBMNUFUHT-QWRGUYRKSA-N 1 0 329.312 5.395 20 0 EKADRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)c1ccc(C(F)(F)F)cc1 ZINC000097393554 219020830 /nfs/dbraw/zinc/02/08/30/219020830.db2.gz HGENFKBMNUFUHT-MNOVXSKESA-N 1 0 329.312 5.395 20 0 EKADRO C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1F ZINC000097393555 219020834 /nfs/dbraw/zinc/02/08/34/219020834.db2.gz HGENFKBMNUFUHT-WDEREUQCSA-N 1 0 329.312 5.395 20 0 EKADRO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1F)c1ccc(C(F)(F)F)cc1 ZINC000097393556 219021139 /nfs/dbraw/zinc/02/11/39/219021139.db2.gz HGENFKBMNUFUHT-GHMZBOCLSA-N 1 0 329.312 5.395 20 0 EKADRO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1ccc(C(F)(F)F)cc1 ZINC000097393557 219020916 /nfs/dbraw/zinc/02/09/16/219020916.db2.gz DMCYCWLCVKIOFS-QWRGUYRKSA-N 1 0 329.312 5.395 20 0 EKADRO C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)c1ccc(F)c(F)c1 ZINC000097393559 219020935 /nfs/dbraw/zinc/02/09/35/219020935.db2.gz DMCYCWLCVKIOFS-WDEREUQCSA-N 1 0 329.312 5.395 20 0 EKADRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@@H](c1ccccc1)c1ccc(Cl)cc1)C2 ZINC000100092026 219090855 /nfs/dbraw/zinc/09/08/55/219090855.db2.gz OCAXFDULERPAJM-BQJUDKOJSA-N 1 0 341.882 5.071 20 0 in-man EKADRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@H](c1ccccc1)c1ccc(Cl)cc1)C2 ZINC000100092028 219090374 /nfs/dbraw/zinc/09/03/74/219090374.db2.gz OCAXFDULERPAJM-IVAOSVALSA-N 1 0 341.882 5.071 20 0 in-man EKADRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)c2oc3ccccc3c2C)c1 ZINC000188688461 519749171 /nfs/dbraw/zinc/74/91/71/519749171.db2.gz NOCWKWYMNVTHPS-LSDHHAIUSA-N 1 0 336.435 5.111 20 0 EKADRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C)c2oc3ccccc3c2C)c1 ZINC000188688483 519747279 /nfs/dbraw/zinc/74/72/79/519747279.db2.gz NOCWKWYMNVTHPS-HUUCEWRRSA-N 1 0 336.435 5.111 20 0 EKADRO CC(C)(c1ccnc(Cl)c1)[NH+]1CCC2(C=Cc3ccccc32)CC1 ZINC001164420781 718908830 /nfs/dbraw/zinc/90/88/30/718908830.db2.gz NCCNYDBKPYAWBZ-UHFFFAOYSA-N 1 0 338.882 5.031 20 0 EKADRO