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)CC[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000019362301 388739562 /nfs/dbraw/zinc/73/95/62/388739562.db2.gz CQLNDPSCRUUGLF-UHFFFAOYSA-N 1 1 235.375 1.746 50 10 BDCAMO CN(C)CC[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000019362301 388739564 /nfs/dbraw/zinc/73/95/64/388739564.db2.gz CQLNDPSCRUUGLF-UHFFFAOYSA-N 1 1 235.375 1.746 50 10 BDCAMO COc1cccc(CN2CC[NH+](C)CC2)c1O ZINC000019359755 175259226 /nfs/dbraw/zinc/25/92/26/175259226.db2.gz NYTXUTWIFKJTSG-UHFFFAOYSA-N 1 1 236.315 1.148 50 10 BDCAMO CN(C)c1ccc([C@H](CN)[NH+]2CCCC2)cc1 ZINC000032497026 343236116 /nfs/dbraw/zinc/23/61/16/343236116.db2.gz OMAOMESBLDANMZ-AWEZNQCLSA-N 1 1 233.359 1.848 50 10 BDCAMO CC(C)[C@@H]1CNCC[N@H+]1Cc1ccccc1O ZINC000072233405 344519255 /nfs/dbraw/zinc/51/92/55/344519255.db2.gz PTRADNMFWMJWBG-ZDUSSCGKSA-N 1 1 234.343 1.822 50 10 BDCAMO CC(C)[C@@H]1C[NH2+]CCN1Cc1ccccc1O ZINC000072233405 344519257 /nfs/dbraw/zinc/51/92/57/344519257.db2.gz PTRADNMFWMJWBG-ZDUSSCGKSA-N 1 1 234.343 1.822 50 10 BDCAMO N#CN[N+](=O)c1ccc2oc(=O)ccc2c1 ZINC000225442646 181026293 /nfs/dbraw/zinc/02/62/93/181026293.db2.gz IVDUVBFZDZDHHH-UHFFFAOYSA-N 1 1 216.176 1.759 50 10 BDCAMO CN1CCC[N@@H+](Cc2ccccc2O)CC1 ZINC000019823775 173017787 /nfs/dbraw/zinc/01/77/87/173017787.db2.gz FYBRWIJNOARTBV-UHFFFAOYSA-N 1 1 220.316 1.530 50 10 BDCAMO CC[C@H]1C(=O)NCC[N@@H+]1Cc1c(C)cccc1O ZINC000585117372 961858485 /nfs/dbraw/zinc/85/84/85/961858485.db2.gz ZRRCKQOBFCCWDS-LBPRGKRZSA-N 1 1 248.326 1.411 50 10 BDCAMO CCOc1cccc(C[NH+]2CCOCC2)c1O ZINC000023281748 343063043 /nfs/dbraw/zinc/06/30/43/343063043.db2.gz GKPXFXSTEWDRNY-UHFFFAOYSA-N 1 1 237.299 1.623 50 10 BDCAMO [NH3+]Cc1cccc(Br)c1O ZINC000042411478 384216722 /nfs/dbraw/zinc/21/67/22/384216722.db2.gz ABAAPYCSQHRWNS-UHFFFAOYSA-N 1 1 202.051 1.613 50 10 BDCAMO C[C@@H]1CN(c2ccc(N)cc2)CC[N@H+]1C ZINC000056979818 132365601 /nfs/dbraw/zinc/36/56/01/132365601.db2.gz OCGBBJFKEQEASN-SNVBAGLBSA-N 1 1 205.305 1.409 50 10 BDCAMO C[C@@H]1CC[N@@H+](CCOc2ccc(N)cc2)C1 ZINC000040716928 176170318 /nfs/dbraw/zinc/17/03/18/176170318.db2.gz YLHBEZCQRXWMKK-LLVKDONJSA-N 1 1 220.316 1.989 50 10 BDCAMO CN(C)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000023282262 350202501 /nfs/dbraw/zinc/20/25/01/350202501.db2.gz SKSNFXBQRYDTGY-UHFFFAOYSA-N 1 1 220.316 1.585 50 10 BDCAMO C[N@H+]1CCCN(c2ccc(N)cc2)CC1 ZINC000012370641 173019661 /nfs/dbraw/zinc/01/96/61/173019661.db2.gz FMLOSYIZNDLWOM-UHFFFAOYSA-N 1 1 205.305 1.411 50 10 BDCAMO C[NH+]1CCN(Cc2ccc(N)cc2)CC1 ZINC000019702804 173087815 /nfs/dbraw/zinc/08/78/15/173087815.db2.gz NIXCVBFXLJWUTC-UHFFFAOYSA-N 1 1 205.305 1.016 50 10 BDCAMO COc1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000023280645 175157608 /nfs/dbraw/zinc/15/76/08/175157608.db2.gz VXTYVOHMIICXCC-UHFFFAOYSA-N 1 1 223.272 1.233 50 10 BDCAMO Oc1ccccc1C[N@@H+]1CCC[C@H](O)C1 ZINC000008380209 183302108 /nfs/dbraw/zinc/30/21/08/183302108.db2.gz LUGQSRBKZKVHGU-NSHDSACASA-N 1 1 207.273 1.349 50 10 BDCAMO C[N+](C)(C)Cc1c(O)cccc1[N+](=O)[O-] ZINC000000294696 383850828 /nfs/dbraw/zinc/85/08/28/383850828.db2.gz XTLMVRREOMLGQY-UHFFFAOYSA-O 1 1 211.241 1.507 50 10 BDCAMO C[NH+]1CCN(CCc2ccc(N)cc2)CC1 ZINC000019623913 173082890 /nfs/dbraw/zinc/08/28/90/173082890.db2.gz BKUWHZDNFSRARB-UHFFFAOYSA-N 1 1 219.332 1.059 50 10 BDCAMO COc1cccc(C[N@@H+](C)C[C@@H](C)O)c1O ZINC000130795118 175254615 /nfs/dbraw/zinc/25/46/15/175254615.db2.gz BQRGPMOIFGOLQC-SECBINFHSA-N 1 1 225.288 1.213 50 10 BDCAMO CN(C)c1ccc([C@H]2[NH2+]CCCN2C)cc1 ZINC000019322850 371131099 /nfs/dbraw/zinc/13/10/99/371131099.db2.gz UVJCDXILFCXERS-ZDUSSCGKSA-N 1 1 219.332 1.676 50 10 BDCAMO CN(C)c1ccc([C@H](CN)[NH+](C)C)cc1 ZINC000095483748 384377740 /nfs/dbraw/zinc/37/77/40/384377740.db2.gz KNSVRRFVRFIBOZ-LBPRGKRZSA-N 1 1 207.321 1.314 50 10 BDCAMO CCNC(=O)C1CC[NH+](c2ccc(N)cc2)CC1 ZINC000032102999 132335137 /nfs/dbraw/zinc/33/51/37/132335137.db2.gz NWDGXAHXBRHABJ-UHFFFAOYSA-N 1 1 247.342 1.621 50 10 BDCAMO CNC(=O)C1CC[NH+](c2ccc(N)cc2)CC1 ZINC000033464910 132336162 /nfs/dbraw/zinc/33/61/62/132336162.db2.gz DQJZKZZAGBCISG-UHFFFAOYSA-N 1 1 233.315 1.231 50 10 BDCAMO CN(C)c1ccc([C@@H](CN)[NH+](C)C)cc1 ZINC000095483747 384378190 /nfs/dbraw/zinc/37/81/90/384378190.db2.gz KNSVRRFVRFIBOZ-GFCCVEGCSA-N 1 1 207.321 1.314 50 10 BDCAMO C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000032919563 132335820 /nfs/dbraw/zinc/33/58/20/132335820.db2.gz VHTHWUSPHFHGRV-UHFFFAOYSA-N 1 1 219.332 1.158 50 10 BDCAMO CCN1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000019362365 342946761 /nfs/dbraw/zinc/94/67/61/342946761.db2.gz VMHXSKKIIPIJBK-UHFFFAOYSA-N 1 1 247.386 1.890 50 10 BDCAMO CC(C)[C@H]1CNCC[N@H+]1Cc1ccccc1O ZINC000072233406 344519339 /nfs/dbraw/zinc/51/93/39/344519339.db2.gz PTRADNMFWMJWBG-CYBMUJFWSA-N 1 1 234.343 1.822 50 10 BDCAMO CC(C)[C@H]1C[NH2+]CCN1Cc1ccccc1O ZINC000072233406 344519341 /nfs/dbraw/zinc/51/93/41/344519341.db2.gz PTRADNMFWMJWBG-CYBMUJFWSA-N 1 1 234.343 1.822 50 10 BDCAMO N#CN[N+](=O)c1ccc2oc(=O)ccc2c1 ZINC000100938760 181026597 /nfs/dbraw/zinc/02/65/97/181026597.db2.gz DOFDHEFJHGIYQO-SEYXRHQNSA-N 1 1 215.168 1.868 50 10 BDCAMO CN(C)c1ccc(C[N@H+]2CCCN(C)CC2)cc1 ZINC000020010480 173017343 /nfs/dbraw/zinc/01/73/43/173017343.db2.gz PDAIAOUEHIKMRH-UHFFFAOYSA-N 1 1 247.386 1.890 50 10 BDCAMO CN(C)c1ccc(CN2CCC[N@H+](C)CC2)cc1 ZINC000020010480 173017346 /nfs/dbraw/zinc/01/73/46/173017346.db2.gz PDAIAOUEHIKMRH-UHFFFAOYSA-N 1 1 247.386 1.890 50 10 BDCAMO CN(C)c1ccc(CN2CCC[N@@H+](C)CC2)cc1 ZINC000020010480 173017348 /nfs/dbraw/zinc/01/73/48/173017348.db2.gz PDAIAOUEHIKMRH-UHFFFAOYSA-N 1 1 247.386 1.890 50 10 BDCAMO COc1ccc(O)c(C[N@H+](C)CCN(C)C)c1 ZINC000019608745 175158135 /nfs/dbraw/zinc/15/81/35/175158135.db2.gz UIAQBFNOEJXUDF-UHFFFAOYSA-N 1 1 238.331 1.394 50 10 BDCAMO COc1ccc(O)c(C[N@@H+](C)CCN(C)C)c1 ZINC000019608745 175158136 /nfs/dbraw/zinc/15/81/36/175158136.db2.gz UIAQBFNOEJXUDF-UHFFFAOYSA-N 1 1 238.331 1.394 50 10 BDCAMO [NH3+]C[C@@H]1CCN(Cc2cc(F)ccc2O)C1 ZINC000067805779 637174274 /nfs/dbraw/zinc/17/42/74/637174274.db2.gz BHYBWOKWLYQADC-VIFPVBQESA-N 1 1 224.279 1.312 50 10 BDCAMO [NH3+]CC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000037712497 181396254 /nfs/dbraw/zinc/39/62/54/181396254.db2.gz CBHOZLSOMBNGMR-UHFFFAOYSA-N 1 1 235.114 1.747 50 10 BDCAMO C[NH+](C)C(C)(C)C(=O)c1ccc(O)c(O)c1 ZINC000096027101 371380800 /nfs/dbraw/zinc/38/08/00/371380800.db2.gz UWHLHWDZGPSFHM-UHFFFAOYSA-N 1 1 223.272 1.621 50 10 BDCAMO COc1cccc(C[NH+]2CCOCC2)c1O ZINC000019634894 175257942 /nfs/dbraw/zinc/25/79/42/175257942.db2.gz MYUITUPMQAHZJC-UHFFFAOYSA-N 1 1 223.272 1.233 50 10 BDCAMO Cc1cccc(C[N@H+](C)C[C@H](C)O)c1O ZINC000130824528 179065770 /nfs/dbraw/zinc/06/57/70/179065770.db2.gz TZPVPRBJRJDMNT-JTQLQIEISA-N 1 1 209.289 1.513 50 10 BDCAMO CCOC(=O)C[N@H+](CC)Cc1ccccc1O ZINC000095457055 170217192 /nfs/dbraw/zinc/21/71/92/170217192.db2.gz PQYZODQXMQIIFM-UHFFFAOYSA-N 1 1 237.299 1.777 50 10 BDCAMO CCOC(=O)C[N@@H+](CC)Cc1ccccc1O ZINC000095457055 170217193 /nfs/dbraw/zinc/21/71/93/170217193.db2.gz PQYZODQXMQIIFM-UHFFFAOYSA-N 1 1 237.299 1.777 50 10 BDCAMO CN(C)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000019362314 173086213 /nfs/dbraw/zinc/08/62/13/173086213.db2.gz GTWJUURZOSEDLI-UHFFFAOYSA-N 1 1 233.359 1.500 50 10 BDCAMO C[C@@H]1C[N@H+](Cc2ccc(N)cc2)C[C@H](C)O1 ZINC000012418036 177263289 /nfs/dbraw/zinc/26/32/89/177263289.db2.gz BRINXNYVAZTPDR-PHIMTYICSA-N 1 1 220.316 1.878 50 10 BDCAMO CN(C)c1ccc(C[N@H+]2CCC[C@H](O)C2)cc1 ZINC000000238078 342680923 /nfs/dbraw/zinc/68/09/23/342680923.db2.gz APAWBOUGMPJQKM-AWEZNQCLSA-N 1 1 234.343 1.709 50 10 BDCAMO C[N+](C)(C)Cc1ccc([N+](=O)[O-])cc1O ZINC000000294699 383851202 /nfs/dbraw/zinc/85/12/02/383851202.db2.gz FQYYLTFKUMNQRU-UHFFFAOYSA-O 1 1 211.241 1.507 50 10 BDCAMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](O)C2)cc1 ZINC000000238073 342680883 /nfs/dbraw/zinc/68/08/83/342680883.db2.gz APAWBOUGMPJQKM-CQSZACIVSA-N 1 1 234.343 1.709 50 10 BDCAMO COc1cccc(CN2CCC([NH3+])CC2)c1O ZINC000020521485 175256573 /nfs/dbraw/zinc/25/65/73/175256573.db2.gz XSVJCLBNUZKCGY-UHFFFAOYSA-N 1 1 236.315 1.324 50 10 BDCAMO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1c(C)cccc1O ZINC000585117371 972150296 /nfs/dbraw/zinc/15/02/96/972150296.db2.gz ZRRCKQOBFCCWDS-GFCCVEGCSA-N 1 1 248.326 1.411 50 10 BDCAMO CCN1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC000019528218 342951513 /nfs/dbraw/zinc/95/15/13/342951513.db2.gz VVTIATCVLPUOPW-UHFFFAOYSA-N 1 1 219.332 1.406 50 10 BDCAMO Nc1ccc(OCCC[NH+]2CCOCC2)cc1 ZINC000019731919 342954964 /nfs/dbraw/zinc/95/49/64/342954964.db2.gz KDHPQNXUMCNVCX-UHFFFAOYSA-N 1 1 236.315 1.370 50 10 BDCAMO CCc1[nH+]ccn1CC(=O)c1ccc(O)c(O)c1 ZINC000045389565 172025944 /nfs/dbraw/zinc/02/59/44/172025944.db2.gz KRFQWVXRVPHWCH-UHFFFAOYSA-N 1 1 246.266 1.740 50 10 in-vitro BDCAMO C[C@H]1CC[N@@H+](CCOc2ccc(N)cc2)C1 ZINC000040716929 177160291 /nfs/dbraw/zinc/16/02/91/177160291.db2.gz YLHBEZCQRXWMKK-NSHDSACASA-N 1 1 220.316 1.989 50 10 BDCAMO CN(C)c1ccc(CN2CCC([NH3+])CC2)cc1 ZINC000015423798 342896001 /nfs/dbraw/zinc/89/60/01/342896001.db2.gz CZEBDZMBUKUETA-UHFFFAOYSA-N 1 1 233.359 1.676 50 10 BDCAMO CC[NH+](CC)CC(=O)c1ccc(O)c(O)c1 ZINC000001602813 350475927 /nfs/dbraw/zinc/47/59/27/350475927.db2.gz YYBGWGLGOFFORL-UHFFFAOYSA-N 1 1 223.272 1.622 50 10 BDCAMO C[C@@H](O)C[N@@H+](C)Cc1cc(F)ccc1O ZINC000130644175 388588744 /nfs/dbraw/zinc/58/87/44/388588744.db2.gz CYUZUBLFISSENU-MRVPVSSYSA-N 1 1 213.252 1.344 50 10 BDCAMO COC(=O)C1CC[NH+](c2ccc(N)cc2)CC1 ZINC000056895841 132365668 /nfs/dbraw/zinc/36/56/68/132365668.db2.gz OEQSWCGRASUTKP-UHFFFAOYSA-N 1 1 234.299 1.658 50 10 BDCAMO COc1ccc(CN2CC[NH+](C)CC2)c(O)c1 ZINC000022455276 175099541 /nfs/dbraw/zinc/09/95/41/175099541.db2.gz DMGIMUWBHPSJIP-UHFFFAOYSA-N 1 1 236.315 1.148 50 10 BDCAMO [NH3+]C[C@H]1CCN(Cc2cc(F)ccc2O)C1 ZINC000067805778 637174972 /nfs/dbraw/zinc/17/49/72/637174972.db2.gz BHYBWOKWLYQADC-SECBINFHSA-N 1 1 224.279 1.312 50 10 BDCAMO COc1ccc(C[N@H+](C)CCN(C)C)c(O)c1 ZINC000019635132 343139900 /nfs/dbraw/zinc/13/99/00/343139900.db2.gz SIBAUIJJBRLJDQ-UHFFFAOYSA-N 1 1 238.331 1.394 50 10 BDCAMO COc1ccc(C[N@@H+](C)CCN(C)C)c(O)c1 ZINC000019635132 343139901 /nfs/dbraw/zinc/13/99/01/343139901.db2.gz SIBAUIJJBRLJDQ-UHFFFAOYSA-N 1 1 238.331 1.394 50 10 BDCAMO Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000012394701 132321481 /nfs/dbraw/zinc/32/14/81/132321481.db2.gz RWTJVGLEXNIAME-CYBMUJFWSA-N 1 1 217.316 1.553 50 10 BDCAMO C[N@@H+]1CCCC1=CC=C1SC(=S)NC1=O ZINC000100123484 173001343 /nfs/dbraw/zinc/00/13/43/173001343.db2.gz CVJBCVRBBBKQDB-IUNAMMOKSA-N 1 1 240.353 1.628 50 10 BDCAMO C[N@H+]1CCCC1=CC=C1SC(=S)NC1=O ZINC000100123484 173001344 /nfs/dbraw/zinc/00/13/44/173001344.db2.gz CVJBCVRBBBKQDB-IUNAMMOKSA-N 1 1 240.353 1.628 50 10 BDCAMO C[NH+]1CCN(CCCOc2ccc(N)cc2)CC1 ZINC000019731937 173080507 /nfs/dbraw/zinc/08/05/07/173080507.db2.gz AHACBCCMXMDLCU-UHFFFAOYSA-N 1 1 249.358 1.285 50 10 BDCAMO COc1ccc(O)c(CN2CC[NH+](C)CC2)c1 ZINC000019609017 175157762 /nfs/dbraw/zinc/15/77/62/175157762.db2.gz AHHPNWCOAPGCGA-UHFFFAOYSA-N 1 1 236.315 1.148 50 10 BDCAMO C[N@H+]1CCC[C@H]1COc1ccc(N)cc1 ZINC000144617429 342727600 /nfs/dbraw/zinc/72/76/00/342727600.db2.gz HVSZDYTWSGFAAB-NSHDSACASA-N 1 1 206.289 1.742 50 10 BDCAMO C[C@@H]([NH3+])c1ccc(N2CCN(C)CC2)cc1 ZINC000004343011 132316538 /nfs/dbraw/zinc/31/65/38/132316538.db2.gz UAQCYCNMBPCKBZ-LLVKDONJSA-N 1 1 219.332 1.458 50 10 BDCAMO Nc1ccc([N@@H+]2CCC[C@H](CO)C2)cc1 ZINC000057585337 132366151 /nfs/dbraw/zinc/36/61/51/132366151.db2.gz ZPGVLDQXMSGLHG-JTQLQIEISA-N 1 1 206.289 1.478 50 10 BDCAMO Nc1ccc([N@H+]2CCC[C@H](CO)C2)cc1 ZINC000057585337 132366152 /nfs/dbraw/zinc/36/61/52/132366152.db2.gz ZPGVLDQXMSGLHG-JTQLQIEISA-N 1 1 206.289 1.478 50 10 BDCAMO C[C@H]([NH3+])c1ccc(N2CCN(C)CC2)cc1 ZINC000002538759 132315222 /nfs/dbraw/zinc/31/52/22/132315222.db2.gz UAQCYCNMBPCKBZ-NSHDSACASA-N 1 1 219.332 1.458 50 10 BDCAMO CCc1cccc(C[N@H+]2CC[C@@H](C(N)=O)C2)c1O ZINC000585091336 972133574 /nfs/dbraw/zinc/13/35/74/972133574.db2.gz MXSCVCNLLBDUDJ-GFCCVEGCSA-N 1 1 248.326 1.262 50 10 BDCAMO CCN1CCN(c2ccc(C[NH3+])cc2F)CC1 ZINC000020469738 132331782 /nfs/dbraw/zinc/33/17/82/132331782.db2.gz ONYJFOAYHDGOFX-UHFFFAOYSA-N 1 1 237.322 1.426 50 10 BDCAMO C[N@H+]1CCC[C@@H]1COc1ccc(N)cc1 ZINC000146346020 487808704 /nfs/dbraw/zinc/80/87/04/487808704.db2.gz HVSZDYTWSGFAAB-LLVKDONJSA-N 1 1 206.289 1.742 50 10 BDCAMO CN(C)c1ccc([C@@H]2[NH2+]CCCN2C)cc1 ZINC000019322853 371131178 /nfs/dbraw/zinc/13/11/78/371131178.db2.gz UVJCDXILFCXERS-CYBMUJFWSA-N 1 1 219.332 1.676 50 10 BDCAMO CC[N@H+]1CC[C@H](Oc2ccc(N)cc2)C1 ZINC000039101089 170022977 /nfs/dbraw/zinc/02/29/77/170022977.db2.gz XWRKRSUTFXAMKT-LBPRGKRZSA-N 1 1 206.289 1.742 50 10 BDCAMO COc1cccc(C[N@H+]2CCC[C@@H](O)C2)c1O ZINC000004988147 175258650 /nfs/dbraw/zinc/25/86/50/175258650.db2.gz ZHVNIVOWGCSECK-LLVKDONJSA-N 1 1 237.299 1.358 50 10 BDCAMO C[C@H]1CN(c2ccc(N)cc2)CC[N@H+]1C ZINC000056979819 132365679 /nfs/dbraw/zinc/36/56/79/132365679.db2.gz OCGBBJFKEQEASN-JTQLQIEISA-N 1 1 205.305 1.409 50 10 BDCAMO COc1cccc(C[N@@H+](C)C[C@H](C)O)c1O ZINC000130794938 175254778 /nfs/dbraw/zinc/25/47/78/175254778.db2.gz BQRGPMOIFGOLQC-VIFPVBQESA-N 1 1 225.288 1.213 50 10 BDCAMO COc1cccc(C[N@H+](C)CCN(C)C)c1O ZINC000019634540 175255030 /nfs/dbraw/zinc/25/50/30/175255030.db2.gz PIFOVZMZKYQEKB-UHFFFAOYSA-N 1 1 238.331 1.394 50 10 BDCAMO COc1cccc(C[N@@H+](C)CCN(C)C)c1O ZINC000019634540 175255031 /nfs/dbraw/zinc/25/50/31/175255031.db2.gz PIFOVZMZKYQEKB-UHFFFAOYSA-N 1 1 238.331 1.394 50 10 BDCAMO CN1CCc2cc([C@@H](CN)[NH+](C)C)ccc21 ZINC000034936232 173172311 /nfs/dbraw/zinc/17/23/11/173172311.db2.gz JEUGZIMGUVELSV-CYBMUJFWSA-N 1 1 219.332 1.240 50 10 BDCAMO COc1ccc(C[NH+]2CCOCC2)c(O)c1 ZINC000019632979 175101616 /nfs/dbraw/zinc/10/16/16/175101616.db2.gz LKTFQWVSCXYFNL-UHFFFAOYSA-N 1 1 223.272 1.233 50 10 BDCAMO COc1cc(C[NH+](C)C)c([O-])c(C[NH+](C)C)c1 ZINC000000187878 342679438 /nfs/dbraw/zinc/67/94/38/342679438.db2.gz HIXNUSUJXZDHKB-UHFFFAOYSA-N 1 1 238.331 1.524 50 10 BDCAMO Cn1cc[nH+]c1CCc1ccc(N)cc1 ZINC000019735544 342955398 /nfs/dbraw/zinc/95/53/98/342955398.db2.gz NOPYXJUVZFSLBA-UHFFFAOYSA-N 1 1 201.273 1.788 50 10 BDCAMO CCC[N@@H+](CCO)Cc1ccc(N(C)C)cc1 ZINC000000277751 169166351 /nfs/dbraw/zinc/16/63/51/169166351.db2.gz HLPVZWWLWLHLKS-UHFFFAOYSA-N 1 1 236.359 1.957 50 10 BDCAMO COc1cccc(C[N@H+]2CCC[C@H](O)C2)c1O ZINC000004988144 175259202 /nfs/dbraw/zinc/25/92/02/175259202.db2.gz ZHVNIVOWGCSECK-NSHDSACASA-N 1 1 237.299 1.358 50 10 BDCAMO CCc1cccc(C[N@H+]2CC[C@H](C(N)=O)C2)c1O ZINC000585091337 972135071 /nfs/dbraw/zinc/13/50/71/972135071.db2.gz MXSCVCNLLBDUDJ-LBPRGKRZSA-N 1 1 248.326 1.262 50 10 BDCAMO CN(C)c1ccc(CNCCC[NH+](C)C)cc1 ZINC000057901293 384969915 /nfs/dbraw/zinc/96/99/15/384969915.db2.gz RZBFKJUBQNZTQS-UHFFFAOYSA-N 1 1 235.375 1.794 50 10 BDCAMO CN(C)CCC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000057901293 384969918 /nfs/dbraw/zinc/96/99/18/384969918.db2.gz RZBFKJUBQNZTQS-UHFFFAOYSA-N 1 1 235.375 1.794 50 10 BDCAMO CN(C)c1ccc([C@@H](CN)[NH+]2CCCC2)cc1 ZINC000032497025 343236226 /nfs/dbraw/zinc/23/62/26/343236226.db2.gz OMAOMESBLDANMZ-CQSZACIVSA-N 1 1 233.359 1.848 50 10 BDCAMO Cc1cccc(C[N@H+](C)C[C@@H](C)O)c1O ZINC000130824316 179065278 /nfs/dbraw/zinc/06/52/78/179065278.db2.gz TZPVPRBJRJDMNT-SNVBAGLBSA-N 1 1 209.289 1.513 50 10 BDCAMO C[C@H](O)C[N@@H+](C)Cc1cc(F)ccc1O ZINC000130643969 363870300 /nfs/dbraw/zinc/87/03/00/363870300.db2.gz CYUZUBLFISSENU-QMMMGPOBSA-N 1 1 213.252 1.344 50 10 BDCAMO Oc1ccccc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000008380215 183301934 /nfs/dbraw/zinc/30/19/34/183301934.db2.gz LUGQSRBKZKVHGU-LLVKDONJSA-N 1 1 207.273 1.349 50 10 BDCAMO COC(=O)c1ccc(O)c(C[NH2+]C2CC2)c1 ZINC000096530243 388683991 /nfs/dbraw/zinc/68/39/91/388683991.db2.gz UDONTDXWTXBBCK-UHFFFAOYSA-N 1 1 221.256 1.431 50 10 BDCAMO CC[NH+]1CCN(Cc2ccccc2O)CC1 ZINC000023281860 343140970 /nfs/dbraw/zinc/14/09/70/343140970.db2.gz QHVLEPYZVODEIW-UHFFFAOYSA-N 1 1 220.316 1.530 50 10 BDCAMO CN1CCc2cc([C@H](CN)[NH+](C)C)ccc21 ZINC000034936233 173171545 /nfs/dbraw/zinc/17/15/45/173171545.db2.gz JEUGZIMGUVELSV-ZDUSSCGKSA-N 1 1 219.332 1.240 50 10 BDCAMO CN(C)CC[N@H+](C)Cc1ccccc1O ZINC000019633307 491063629 /nfs/dbraw/zinc/06/36/29/491063629.db2.gz LECTXAKOBDFCBA-UHFFFAOYSA-N 1 1 208.305 1.386 50 10 BDCAMO CN(C)CC[N@@H+](C)Cc1ccccc1O ZINC000019633307 491063631 /nfs/dbraw/zinc/06/36/31/491063631.db2.gz LECTXAKOBDFCBA-UHFFFAOYSA-N 1 1 208.305 1.386 50 10 BDCAMO