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+][C@@H](C)c1ccccc1Cl)c1ccc(F)cc1F ZINC000021509204 171309237 /nfs/dbraw/zinc/30/92/37/171309237.db2.gz IZLIRAAZXJUPTE-WDEREUQCSA-N 1 1 295.760 5.030 20 0 CKADMO C[C@H]([NH2+][C@@H](C)c1ccccc1Cl)c1ccc(F)cc1F ZINC000021509206 171309283 /nfs/dbraw/zinc/30/92/83/171309283.db2.gz IZLIRAAZXJUPTE-QWRGUYRKSA-N 1 1 295.760 5.030 20 0 CKADMO C[C@@H]([NH2+][C@H](C)c1ccccc1Cl)c1ccc(F)cc1F ZINC000021509208 171309107 /nfs/dbraw/zinc/30/91/07/171309107.db2.gz IZLIRAAZXJUPTE-GHMZBOCLSA-N 1 1 295.760 5.030 20 0 CKADMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)c1ccccc1Cl ZINC000021509209 171309274 /nfs/dbraw/zinc/30/92/74/171309274.db2.gz IZLIRAAZXJUPTE-MNOVXSKESA-N 1 1 295.760 5.030 20 0 CKADMO Cc1cc([C@@H](C)[NH2+]Cc2c(F)cccc2Cl)c(C)s1 ZINC000035252867 172082970 /nfs/dbraw/zinc/08/29/70/172082970.db2.gz XLAIEOSOSALQEE-SNVBAGLBSA-N 1 1 297.826 5.008 20 0 CKADMO Cc1cc([C@H](C)[NH2+]Cc2c(F)cccc2Cl)c(C)s1 ZINC000035252868 172082399 /nfs/dbraw/zinc/08/23/99/172082399.db2.gz XLAIEOSOSALQEE-JTQLQIEISA-N 1 1 297.826 5.008 20 0 CKADMO Cc1cc([C@H](C)[NH2+][C@@H](C)c2c(F)cccc2F)c(C)s1 ZINC000037122882 333487314 /nfs/dbraw/zinc/48/73/14/333487314.db2.gz UMPHQNHRDMGHEX-QWRGUYRKSA-N 1 1 295.398 5.055 20 0 CKADMO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1Cl)c1ccccc1F ZINC000037764408 333538097 /nfs/dbraw/zinc/53/80/97/333538097.db2.gz OUTFOGXAMPPZPX-QWRGUYRKSA-N 1 1 295.760 5.030 20 0 CKADMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1Cl)c1ccccc1F ZINC000037764409 333538241 /nfs/dbraw/zinc/53/82/41/333538241.db2.gz OUTFOGXAMPPZPX-WDEREUQCSA-N 1 1 295.760 5.030 20 0 CKADMO C[C@@H]([NH2+][C@@H](C)c1ccccc1F)c1ccc(F)cc1Cl ZINC000037764410 333538066 /nfs/dbraw/zinc/53/80/66/333538066.db2.gz OUTFOGXAMPPZPX-MNOVXSKESA-N 1 1 295.760 5.030 20 0 CKADMO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1Cl)c1ccccc1F ZINC000037764411 333538074 /nfs/dbraw/zinc/53/80/74/333538074.db2.gz OUTFOGXAMPPZPX-GHMZBOCLSA-N 1 1 295.760 5.030 20 0 CKADMO CC[C@@H]([NH2+][C@@H](c1ccco1)c1ccccc1)c1cccs1 ZINC000041640162 328714566 /nfs/dbraw/zinc/71/45/66/328714566.db2.gz ARULPRHEWIUBEG-CRAIPNDOSA-N 1 1 297.423 5.171 20 0 CKADMO Cc1ccc([C@@H](C)[NH2+][C@@H](c2ccco2)c2ccccc2)s1 ZINC000041640199 328714464 /nfs/dbraw/zinc/71/44/64/328714464.db2.gz KTROWGKVGHESGF-RDTXWAMCSA-N 1 1 297.423 5.090 20 0 CKADMO Cc1cc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2Cl)c(C)o1 ZINC000044729304 330331253 /nfs/dbraw/zinc/33/12/53/330331253.db2.gz BSNBIVHTHUCQSY-SNVBAGLBSA-N 1 1 298.213 5.054 20 0 CKADMO Cc1cc([C@H](C)[NH2+]Cc2ccc(Cl)cc2Cl)c(C)o1 ZINC000044729305 330331268 /nfs/dbraw/zinc/33/12/68/330331268.db2.gz BSNBIVHTHUCQSY-JTQLQIEISA-N 1 1 298.213 5.054 20 0 CKADMO Cc1cc([C@@H](C)[NH2+]Cc2cccc(Cl)c2Cl)c(C)o1 ZINC000044729492 330331169 /nfs/dbraw/zinc/33/11/69/330331169.db2.gz NXACBSDNYSWKKI-SNVBAGLBSA-N 1 1 298.213 5.054 20 0 CKADMO Cc1cc([C@H](C)[NH2+]Cc2cccc(Cl)c2Cl)c(C)o1 ZINC000044729493 330331178 /nfs/dbraw/zinc/33/11/78/330331178.db2.gz NXACBSDNYSWKKI-JTQLQIEISA-N 1 1 298.213 5.054 20 0 CKADMO Cc1ccsc1[C@H](C)[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000070091045 333798972 /nfs/dbraw/zinc/79/89/72/333798972.db2.gz IHIGFIHEDADALN-YOEHRIQHSA-N 1 1 297.423 5.090 20 0 CKADMO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1cccc(Cl)c1 ZINC000096698297 185109412 /nfs/dbraw/zinc/10/94/12/185109412.db2.gz MVBQEBXMLPRIOY-QWRGUYRKSA-N 1 1 295.760 5.030 20 0 CKADMO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1cccc(Cl)c1 ZINC000096698298 185109655 /nfs/dbraw/zinc/10/96/55/185109655.db2.gz MVBQEBXMLPRIOY-MNOVXSKESA-N 1 1 295.760 5.030 20 0 CKADMO C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)c1c(F)cccc1F ZINC000096698299 185109830 /nfs/dbraw/zinc/10/98/30/185109830.db2.gz MVBQEBXMLPRIOY-WDEREUQCSA-N 1 1 295.760 5.030 20 0 CKADMO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1F)c1cccc(Cl)c1 ZINC000096698300 185110075 /nfs/dbraw/zinc/11/00/75/185110075.db2.gz MVBQEBXMLPRIOY-GHMZBOCLSA-N 1 1 295.760 5.030 20 0 CKADMO C[C@@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)c1cc2ccccc2o1 ZINC000105659624 186067944 /nfs/dbraw/zinc/06/79/44/186067944.db2.gz JYUFZTSULHYLKP-IOASZLSFSA-N 1 1 295.382 5.000 20 0 CKADMO C[C@@H]([NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1)c1cc2ccccc2o1 ZINC000105659628 186068417 /nfs/dbraw/zinc/06/84/17/186068417.db2.gz JYUFZTSULHYLKP-ZENOOKHLSA-N 1 1 295.382 5.000 20 0 CKADMO C[C@@H]([NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1)c1cc2ccccc2o1 ZINC000105659631 186068011 /nfs/dbraw/zinc/06/80/11/186068011.db2.gz JYUFZTSULHYLKP-XJKCOSOUSA-N 1 1 295.382 5.000 20 0 CKADMO C[C@@H]([NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1)c1cc2ccccc2o1 ZINC000105659634 186067674 /nfs/dbraw/zinc/06/76/74/186067674.db2.gz JYUFZTSULHYLKP-WOSRLPQWSA-N 1 1 295.382 5.000 20 0 CKADMO Cc1ccccc1[C@@H](C)[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000120366960 330387171 /nfs/dbraw/zinc/38/71/71/330387171.db2.gz SLGDLEJPCHLCRD-UZLBHIALSA-N 1 1 291.394 5.028 20 0 CKADMO Cc1ccccc1[C@H](C)[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000120367045 330387253 /nfs/dbraw/zinc/38/72/53/330387253.db2.gz SLGDLEJPCHLCRD-JXFKEZNVSA-N 1 1 291.394 5.028 20 0 CKADMO Cc1ccccc1[C@@H](C)[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000120367130 330387259 /nfs/dbraw/zinc/38/72/59/330387259.db2.gz SLGDLEJPCHLCRD-OXQOHEQNSA-N 1 1 291.394 5.028 20 0 CKADMO Cc1ccccc1[C@H](C)[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000120367244 330387229 /nfs/dbraw/zinc/38/72/29/330387229.db2.gz SLGDLEJPCHLCRD-OXJNMPFZSA-N 1 1 291.394 5.028 20 0 CKADMO Cc1ccc([C@H](C)[NH2+][C@H](c2ccco2)c2ccccc2)cc1 ZINC000122132445 330413319 /nfs/dbraw/zinc/41/33/19/330413319.db2.gz BCMRZGCYCQFICC-JXFKEZNVSA-N 1 1 291.394 5.028 20 0 CKADMO CSc1ccc([C@H](C)Nc2cccc3cc[nH+]cc32)cc1 ZINC000131445209 333940583 /nfs/dbraw/zinc/94/05/83/333940583.db2.gz OCBXWNVIGXMYAA-ZDUSSCGKSA-N 1 1 294.423 5.130 20 0 CKADMO CSc1ccc([C@@H](C)Nc2cccc3cc[nH+]cc32)cc1 ZINC000131445410 333940465 /nfs/dbraw/zinc/94/04/65/333940465.db2.gz OCBXWNVIGXMYAA-CYBMUJFWSA-N 1 1 294.423 5.130 20 0 CKADMO CCc1ccc([C@@H](C)Nc2cccc3cc[nH+]cc32)s1 ZINC000131446847 333940585 /nfs/dbraw/zinc/94/05/85/333940585.db2.gz SLAXDTZPHJOKJV-GFCCVEGCSA-N 1 1 282.412 5.032 20 0 CKADMO Cc1ccc([C@@H](C)[NH2+]C(c2ccccc2)c2ccccc2)o1 ZINC000194021210 329064729 /nfs/dbraw/zinc/06/47/29/329064729.db2.gz PTRLFPSLXXZPOZ-MRXNPFEDSA-N 1 1 291.394 5.028 20 0 CKADMO Cc1ccc([C@H](C)[NH2+]C(c2ccccc2)c2ccccc2)o1 ZINC000194021223 329064890 /nfs/dbraw/zinc/06/48/90/329064890.db2.gz PTRLFPSLXXZPOZ-INIZCTEOSA-N 1 1 291.394 5.028 20 0 CKADMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(Cl)c2Cl)o1 ZINC000221783320 262296085 /nfs/dbraw/zinc/29/60/85/262296085.db2.gz TWDQAUQPLHZTHW-WDEREUQCSA-N 1 1 298.213 5.307 20 0 CKADMO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(Cl)c2Cl)o1 ZINC000221783375 262296210 /nfs/dbraw/zinc/29/62/10/262296210.db2.gz TWDQAUQPLHZTHW-QWRGUYRKSA-N 1 1 298.213 5.307 20 0 CKADMO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(Cl)c2Cl)o1 ZINC000221783426 262296373 /nfs/dbraw/zinc/29/63/73/262296373.db2.gz TWDQAUQPLHZTHW-GHMZBOCLSA-N 1 1 298.213 5.307 20 0 CKADMO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(Cl)c2Cl)o1 ZINC000221783480 262296283 /nfs/dbraw/zinc/29/62/83/262296283.db2.gz TWDQAUQPLHZTHW-MNOVXSKESA-N 1 1 298.213 5.307 20 0 CKADMO C[C@H]([NH2+][C@@H](C)c1cccc(F)c1F)c1ccccc1Cl ZINC000225011666 333228716 /nfs/dbraw/zinc/22/87/16/333228716.db2.gz JIGUCULWTDHXBA-QWRGUYRKSA-N 1 1 295.760 5.030 20 0 CKADMO C[C@H](Nc1cccc2cc[nH+]cc21)c1csc(Cl)c1 ZINC000230412879 333822703 /nfs/dbraw/zinc/82/27/03/333822703.db2.gz SNXQYSBFPLBYKX-JTQLQIEISA-N 1 1 288.803 5.123 20 0 CKADMO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1F)c1ccccc1Cl ZINC000231635044 333326473 /nfs/dbraw/zinc/32/64/73/333326473.db2.gz JIGUCULWTDHXBA-MNOVXSKESA-N 1 1 295.760 5.030 20 0 CKADMO C[C@@H]([NH2+][C@H](C)c1cccc(F)c1F)c1ccccc1Cl ZINC000231635048 333326481 /nfs/dbraw/zinc/32/64/81/333326481.db2.gz JIGUCULWTDHXBA-GHMZBOCLSA-N 1 1 295.760 5.030 20 0 CKADMO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000313560706 260302817 /nfs/dbraw/zinc/30/28/17/260302817.db2.gz UBUIHCFFMGHDQY-GHMZBOCLSA-N 1 1 295.760 5.030 20 0 CKADMO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000313560707 260302730 /nfs/dbraw/zinc/30/27/30/260302730.db2.gz UBUIHCFFMGHDQY-MNOVXSKESA-N 1 1 295.760 5.030 20 0 CKADMO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1Cl)c1cccc(F)c1 ZINC000313586088 260303482 /nfs/dbraw/zinc/30/34/82/260303482.db2.gz YNFKCHRYIFDSTG-GHMZBOCLSA-N 1 1 295.760 5.030 20 0 CKADMO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)c1cccc(F)c1 ZINC000313586089 260303382 /nfs/dbraw/zinc/30/33/82/260303382.db2.gz YNFKCHRYIFDSTG-MNOVXSKESA-N 1 1 295.760 5.030 20 0 CKADMO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)c1cccc(F)c1 ZINC000313586090 260303594 /nfs/dbraw/zinc/30/35/94/260303594.db2.gz YNFKCHRYIFDSTG-QWRGUYRKSA-N 1 1 295.760 5.030 20 0 CKADMO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)c1c(F)cccc1Cl ZINC000313586091 260303304 /nfs/dbraw/zinc/30/33/04/260303304.db2.gz YNFKCHRYIFDSTG-WDEREUQCSA-N 1 1 295.760 5.030 20 0 CKADMO CC[C@H]([NH2+][C@@H](c1ccco1)c1ccccc1)c1ccccc1 ZINC000315926699 333384719 /nfs/dbraw/zinc/38/47/19/333384719.db2.gz UVVJIWVBZLCJFX-AZUAARDMSA-N 1 1 291.394 5.110 20 0 CKADMO CC[C@H]([NH2+][C@H](c1ccco1)c1ccccc1)c1ccccc1 ZINC000315926701 333384684 /nfs/dbraw/zinc/38/46/84/333384684.db2.gz UVVJIWVBZLCJFX-ICSRJNTNSA-N 1 1 291.394 5.110 20 0 CKADMO CC[C@@H]([NH2+][C@H](c1ccco1)c1ccccc1)c1ccccc1 ZINC000315926703 333384662 /nfs/dbraw/zinc/38/46/62/333384662.db2.gz UVVJIWVBZLCJFX-QUCCMNQESA-N 1 1 291.394 5.110 20 0 CKADMO CC[C@@H]([NH2+][C@@H](c1ccco1)c1ccccc1)c1ccccc1 ZINC000315926705 333384606 /nfs/dbraw/zinc/38/46/06/333384606.db2.gz UVVJIWVBZLCJFX-UYAOXDASSA-N 1 1 291.394 5.110 20 0 CKADMO Cc1cc([C@H](C)[NH2+][C@H](C)c2c(F)cccc2Cl)c(C)o1 ZINC000380279608 335968723 /nfs/dbraw/zinc/96/87/23/335968723.db2.gz BNKRMYGDWXWFDQ-WDEREUQCSA-N 1 1 295.785 5.101 20 0 CKADMO Cc1cc([C@H](C)[NH2+][C@@H](c2ccco2)c2ccccc2)cs1 ZINC000381783498 336073052 /nfs/dbraw/zinc/07/30/52/336073052.db2.gz RJRYHMGUYGLVFN-KBXCAEBGSA-N 1 1 297.423 5.090 20 0 CKADMO Cc1cc([C@@H](C)[NH2+][C@H](c2ccco2)c2ccccc2)cs1 ZINC000381783500 336072960 /nfs/dbraw/zinc/07/29/60/336072960.db2.gz RJRYHMGUYGLVFN-KDOFPFPSSA-N 1 1 297.423 5.090 20 0 CKADMO Cc1cc([C@H](C)[NH2+][C@H](c2ccco2)c2ccccc2)cs1 ZINC000381783503 336073035 /nfs/dbraw/zinc/07/30/35/336073035.db2.gz RJRYHMGUYGLVFN-KSSFIOAISA-N 1 1 297.423 5.090 20 0 CKADMO Cc1cc([C@@H](C)[NH2+][C@@H](c2ccco2)c2ccccc2)cs1 ZINC000381783510 336072996 /nfs/dbraw/zinc/07/29/96/336072996.db2.gz RJRYHMGUYGLVFN-RDTXWAMCSA-N 1 1 297.423 5.090 20 0 CKADMO CC[C@@H]([NH2+][C@H](c1ccco1)c1ccccc1)c1ccsc1 ZINC000382191680 336084140 /nfs/dbraw/zinc/08/41/40/336084140.db2.gz ZCHFPKXMYFKFRT-AEFFLSMTSA-N 1 1 297.423 5.171 20 0 CKADMO CC[C@H]([NH2+][C@@H](c1ccco1)c1ccccc1)c1ccsc1 ZINC000382191696 336084096 /nfs/dbraw/zinc/08/40/96/336084096.db2.gz ZCHFPKXMYFKFRT-FUHWJXTLSA-N 1 1 297.423 5.171 20 0 CKADMO CC[C@@H]([NH2+][C@@H](c1ccco1)c1ccccc1)c1ccsc1 ZINC000382191703 336084153 /nfs/dbraw/zinc/08/41/53/336084153.db2.gz ZCHFPKXMYFKFRT-SJLPKXTDSA-N 1 1 297.423 5.171 20 0 CKADMO CC[C@H]([NH2+][C@H](c1ccco1)c1ccccc1)c1ccsc1 ZINC000382192126 336084045 /nfs/dbraw/zinc/08/40/45/336084045.db2.gz ZCHFPKXMYFKFRT-WMZOPIPTSA-N 1 1 297.423 5.171 20 0 CKADMO C[C@H](Nc1cccc2cc[nH+]cc21)c1cc2ccccc2o1 ZINC000387907333 327819897 /nfs/dbraw/zinc/81/98/97/327819897.db2.gz UQGDJZIVBLCUIY-ZDUSSCGKSA-N 1 1 288.350 5.154 20 0 CKADMO CCC[C@H]([NH2+][C@H](C)c1c(F)cccc1F)c1ccsc1 ZINC000443093184 330794632 /nfs/dbraw/zinc/79/46/32/330794632.db2.gz LULPVPYRVXJKFT-ABAIWWIYSA-N 1 1 295.398 5.218 20 0 CKADMO CCC[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1ccsc1 ZINC000443093187 330794517 /nfs/dbraw/zinc/79/45/17/330794517.db2.gz LULPVPYRVXJKFT-XHDPSFHLSA-N 1 1 295.398 5.218 20 0 CKADMO CCc1ccc([C@@H](C)[NH2+][C@H](C)c2cc3ccccc3o2)o1 ZINC000443224898 330797410 /nfs/dbraw/zinc/79/74/10/330797410.db2.gz RDKSLDVKNPZSLE-CHWSQXEVSA-N 1 1 283.371 5.000 20 0 CKADMO CC[C@@H]([NH2+][C@H](C)c1ccc(C)o1)c1cccc(Cl)c1F ZINC000461094236 331311456 /nfs/dbraw/zinc/31/14/56/331311456.db2.gz KPJAUSSYDVNNNP-BXUZGUMPSA-N 1 1 295.785 5.182 20 0 CKADMO CC[C@H]([NH2+][C@@H](C)c1ccc(C)o1)c1cccc(Cl)c1F ZINC000461094237 331311413 /nfs/dbraw/zinc/31/14/13/331311413.db2.gz KPJAUSSYDVNNNP-FZMZJTMJSA-N 1 1 295.785 5.182 20 0 CKADMO CC[C@H]([NH2+][C@H](C)c1ccc(C)o1)c1cccc(Cl)c1F ZINC000461094238 331311411 /nfs/dbraw/zinc/31/14/11/331311411.db2.gz KPJAUSSYDVNNNP-RISCZKNCSA-N 1 1 295.785 5.182 20 0 CKADMO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)o1)c1cccc(Cl)c1F ZINC000461094239 331311352 /nfs/dbraw/zinc/31/13/52/331311352.db2.gz KPJAUSSYDVNNNP-SMDDNHRTSA-N 1 1 295.785 5.182 20 0 CKADMO FC(F)c1ccc(C[N@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000461382725 331312658 /nfs/dbraw/zinc/31/26/58/331312658.db2.gz CTPAVGFSJOVFNP-AWEZNQCLSA-N 1 1 293.382 5.023 20 0 CKADMO FC(F)c1ccc(C[N@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000461382726 331312627 /nfs/dbraw/zinc/31/26/27/331312627.db2.gz CTPAVGFSJOVFNP-CQSZACIVSA-N 1 1 293.382 5.023 20 0 CKADMO CC(C)[N@@H+](Cc1cccs1)Cc1ccc(C(F)F)cc1 ZINC000461401969 331312942 /nfs/dbraw/zinc/31/29/42/331312942.db2.gz NQHJSHKIXWZIAA-UHFFFAOYSA-N 1 1 295.398 5.096 20 0 CKADMO FC(F)c1ccc(C[N@H+]2CCC[C@H]2c2ccsc2)cc1 ZINC000461403070 331313001 /nfs/dbraw/zinc/31/30/01/331313001.db2.gz QQUNDNOBVQAJBE-HNNXBMFYSA-N 1 1 293.382 5.023 20 0 CKADMO FC(F)c1ccc(C[N@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000461403071 331313012 /nfs/dbraw/zinc/31/30/12/331313012.db2.gz QQUNDNOBVQAJBE-OAHLLOKOSA-N 1 1 293.382 5.023 20 0 CKADMO Cc1cc([C@H](C)[NH2+][C@@H](C)c2cccc(Cl)c2F)c(C)o1 ZINC000481029453 331795378 /nfs/dbraw/zinc/79/53/78/331795378.db2.gz YSISPBQTKNDFJC-QWRGUYRKSA-N 1 1 295.785 5.101 20 0 CKADMO Cc1cc([C@@H](C)[NH2+][C@H](C)c2cc3ccccc3o2)oc1C ZINC000502426350 332658636 /nfs/dbraw/zinc/65/86/36/332658636.db2.gz FVJCXDWAQPWLOF-CHWSQXEVSA-N 1 1 283.371 5.054 20 0 CKADMO Cc1cc([C@H](C)[NH2+][C@H](C)c2cc3ccccc3o2)oc1C ZINC000502426357 332658621 /nfs/dbraw/zinc/65/86/21/332658621.db2.gz FVJCXDWAQPWLOF-QWHCGFSZSA-N 1 1 283.371 5.054 20 0 CKADMO CC[C@H](C)c1ccc([C@H](C)[NH2+][C@@H](C)c2nccs2)cc1 ZINC000527908307 330290501 /nfs/dbraw/zinc/29/05/01/330290501.db2.gz KYHRTRXYTJBEAD-IHRRRGAJSA-N 1 1 288.460 5.068 20 0 CKADMO CC[C@@H](C)c1ccc([C@@H](C)[NH2+][C@@H](C)c2nccs2)cc1 ZINC000527908317 330290520 /nfs/dbraw/zinc/29/05/20/330290520.db2.gz KYHRTRXYTJBEAD-MCIONIFRSA-N 1 1 288.460 5.068 20 0 CKADMO CC[C@H](C)c1ccc([C@@H](C)[NH2+][C@@H](C)c2nccs2)cc1 ZINC000527908320 330290575 /nfs/dbraw/zinc/29/05/75/330290575.db2.gz KYHRTRXYTJBEAD-MJBXVCDLSA-N 1 1 288.460 5.068 20 0 CKADMO CC[C@@H](C)c1ccc([C@H](C)[NH2+][C@@H](C)c2nccs2)cc1 ZINC000527908324 330290554 /nfs/dbraw/zinc/29/05/54/330290554.db2.gz KYHRTRXYTJBEAD-RDBSUJKOSA-N 1 1 288.460 5.068 20 0 CKADMO CC[C@H](C)c1ccc([C@@H](C)[NH2+][C@H](C)c2cscn2)cc1 ZINC000527910873 330290713 /nfs/dbraw/zinc/29/07/13/330290713.db2.gz FJTZVFRPUHOKCJ-BFHYXJOUSA-N 1 1 288.460 5.068 20 0 CKADMO CC[C@H](C)c1ccc([C@H](C)[NH2+][C@@H](C)c2cscn2)cc1 ZINC000527910874 330290749 /nfs/dbraw/zinc/29/07/49/330290749.db2.gz FJTZVFRPUHOKCJ-IHRRRGAJSA-N 1 1 288.460 5.068 20 0 CKADMO CC[C@H](C)c1ccc([C@H](C)[NH2+][C@H](C)c2cscn2)cc1 ZINC000527910875 330290741 /nfs/dbraw/zinc/29/07/41/330290741.db2.gz FJTZVFRPUHOKCJ-MELADBBJSA-N 1 1 288.460 5.068 20 0 CKADMO CC[C@H](C)c1ccc([C@@H](C)[NH2+][C@@H](C)c2cscn2)cc1 ZINC000527910876 330290691 /nfs/dbraw/zinc/29/06/91/330290691.db2.gz FJTZVFRPUHOKCJ-MJBXVCDLSA-N 1 1 288.460 5.068 20 0 CKADMO C[C@@H]([NH2+][C@@H](C)c1ccon1)c1ccc(C2CCCCC2)cc1 ZINC000543627375 333885865 /nfs/dbraw/zinc/88/58/65/333885865.db2.gz VPBTXIOJIZYURV-CABCVRRESA-N 1 1 298.430 5.134 20 0 CKADMO C[C@H]([NH2+][C@@H](C)c1ccc(C2CCCCC2)cc1)c1ccon1 ZINC000543627378 333885800 /nfs/dbraw/zinc/88/58/00/333885800.db2.gz VPBTXIOJIZYURV-GJZGRUSLSA-N 1 1 298.430 5.134 20 0 CKADMO C[C@@H]([NH2+][C@H](C)c1ccc(C2CCCCC2)cc1)c1ccon1 ZINC000543627380 333885783 /nfs/dbraw/zinc/88/57/83/333885783.db2.gz VPBTXIOJIZYURV-HUUCEWRRSA-N 1 1 298.430 5.134 20 0 CKADMO C[C@@H]([NH2+][C@@H](C)c1ccc(C2CCCCC2)cc1)c1ccon1 ZINC000543627382 333885785 /nfs/dbraw/zinc/88/57/85/333885785.db2.gz VPBTXIOJIZYURV-LSDHHAIUSA-N 1 1 298.430 5.134 20 0 CKADMO Cc1cc([C@H](C)[NH2+]Cc2cccc(Cl)c2Cl)oc1C ZINC000558623567 327109854 /nfs/dbraw/zinc/10/98/54/327109854.db2.gz WWSXSRMYCLVDQZ-JTQLQIEISA-N 1 1 298.213 5.054 20 0 CKADMO Cc1cc([C@@H](C)[NH2+]Cc2cccc(Cl)c2Cl)oc1C ZINC000558623569 327109837 /nfs/dbraw/zinc/10/98/37/327109837.db2.gz WWSXSRMYCLVDQZ-SNVBAGLBSA-N 1 1 298.213 5.054 20 0 CKADMO Cc1ccc2oc(C[NH2+][C@H](C)c3ccccc3Cl)cc2c1 ZINC000583291858 329436512 /nfs/dbraw/zinc/43/65/12/329436512.db2.gz JAKHZJFJDHVFES-CYBMUJFWSA-N 1 1 299.801 5.245 20 0 CKADMO