smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc(C[N@H+](Cc2ccco2)Cc2ccccc2)cc1 ZINC000015482893 182004817 /nfs/dbraw/zinc/00/48/17/182004817.db2.gz AWHYFPZATARDIQ-UHFFFAOYSA-N 1 1 302.377 4.354 50 30 DIEAMO N#Cc1ccc(C[N@@H+](Cc2ccco2)Cc2ccccc2)cc1 ZINC000015482893 182004818 /nfs/dbraw/zinc/00/48/18/182004818.db2.gz AWHYFPZATARDIQ-UHFFFAOYSA-N 1 1 302.377 4.354 50 30 DIEAMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1C(F)(F)F ZINC000043647376 183377641 /nfs/dbraw/zinc/37/76/41/183377641.db2.gz VAXMNIRULNVNJM-UHFFFAOYSA-N 1 1 304.315 4.209 50 30 DIEAMO C=CCn1c(C2CC2)nn(C[NH+](CC(C)C)CC(C)C)c1=S ZINC000057394898 184036739 /nfs/dbraw/zinc/03/67/39/184036739.db2.gz AQRHSEKFHVXMML-UHFFFAOYSA-N 1 1 322.522 4.049 50 30 DIEAMO C[C@@H](c1nc2ccccc2s1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000065514114 184357902 /nfs/dbraw/zinc/35/79/02/184357902.db2.gz ABUSSGSPYFQGAA-ZDUSSCGKSA-N 1 1 307.422 4.361 50 30 DIEAMO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000065514114 184357903 /nfs/dbraw/zinc/35/79/03/184357903.db2.gz ABUSSGSPYFQGAA-ZDUSSCGKSA-N 1 1 307.422 4.361 50 30 DIEAMO C=C(C)COc1cccc(C[NH2+][C@H](C)c2nc3ccccc3[nH]2)c1 ZINC000055270056 518618908 /nfs/dbraw/zinc/61/89/08/518618908.db2.gz WWQJNVZUZZWLGP-OAHLLOKOSA-N 1 1 321.424 4.369 50 30 DIEAMO C=C(C)COc1ccccc1C[NH2+][C@H](C)c1nc2ccccc2[nH]1 ZINC000055253638 518622282 /nfs/dbraw/zinc/62/22/82/518622282.db2.gz HRCAHGATEVXLOD-OAHLLOKOSA-N 1 1 321.424 4.369 50 30 DIEAMO C=CCC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccccc1F ZINC000036103048 518717990 /nfs/dbraw/zinc/71/79/90/518717990.db2.gz RVXRXFOUYJGMDC-LJQANCHMSA-N 1 1 313.416 4.155 50 30 DIEAMO CC(C)[N@@H+](Cc1cn2ccccc2c1C#N)Cc1ccccc1 ZINC000032888354 563408546 /nfs/dbraw/zinc/40/85/46/563408546.db2.gz LGUYCKTUTMJAMG-UHFFFAOYSA-N 1 1 303.409 4.222 50 30 DIEAMO C[N@@H+](Cc1ccc(Br)s1)Cc1ccc(C#N)cc1 ZINC000015371747 563409629 /nfs/dbraw/zinc/40/96/29/563409629.db2.gz NIJHXQGYSRUJOO-UHFFFAOYSA-N 1 1 321.243 4.014 50 30 DIEAMO C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(Cl)c1Cl ZINC000015299627 563803688 /nfs/dbraw/zinc/80/36/88/563803688.db2.gz RQFHBYKNUSTMRC-UHFFFAOYSA-N 1 1 305.208 4.497 50 30 DIEAMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(Cl)c1Cl ZINC000015299627 563803690 /nfs/dbraw/zinc/80/36/90/563803690.db2.gz RQFHBYKNUSTMRC-UHFFFAOYSA-N 1 1 305.208 4.497 50 30 DIEAMO C=CC[N@H+](Cc1ccco1)Cc1ccc(Oc2ncccn2)cc1 ZINC000055041940 563816157 /nfs/dbraw/zinc/81/61/57/563816157.db2.gz DMEQNLBLDFMPOB-UHFFFAOYSA-N 1 1 321.380 4.050 50 30 DIEAMO C=CC[N@@H+](Cc1ccco1)Cc1ccc(Oc2ncccn2)cc1 ZINC000055041940 563816159 /nfs/dbraw/zinc/81/61/59/563816159.db2.gz DMEQNLBLDFMPOB-UHFFFAOYSA-N 1 1 321.380 4.050 50 30 DIEAMO N#Cc1c(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)cn2ccccc12 ZINC000170626887 563908814 /nfs/dbraw/zinc/90/88/14/563908814.db2.gz KDCFRCHMXDPMNE-FQEVSTJZSA-N 1 1 305.425 4.133 50 30 DIEAMO C[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccc(F)c(Cl)c1 ZINC000225629127 563938215 /nfs/dbraw/zinc/93/82/15/563938215.db2.gz LHMMQVWXMDDWJC-UHFFFAOYSA-N 1 1 324.827 4.011 50 30 DIEAMO CN(C)c1ccc(C=[NH+]Nc2cccc(C(F)(F)F)c2)cc1 ZINC000004307028 181095256 /nfs/dbraw/zinc/09/52/56/181095256.db2.gz PBLPPWNJYXPCQO-RGVLZGJSSA-N 1 1 307.319 4.217 50 30 DIEAMO C=CCC[C@@H](O)C[N@H+](Cc1ccc(C)s1)Cc1ccccc1 ZINC000036101170 518719617 /nfs/dbraw/zinc/71/96/17/518719617.db2.gz VPONCARDUQUKJQ-GOSISDBHSA-N 1 1 315.482 4.386 50 30 DIEAMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](CCCCC#N)C1 ZINC000071907427 563332358 /nfs/dbraw/zinc/33/23/58/563332358.db2.gz NXANTCKKYCGNDF-KRWDZBQOSA-N 1 1 324.472 4.490 50 30 DIEAMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(Cl)c2cccnc12 ZINC000052580238 563789093 /nfs/dbraw/zinc/78/90/93/563789093.db2.gz SEDOICOAIPYHHZ-UHFFFAOYSA-N 1 1 321.811 4.392 50 30 DIEAMO N#CCCCOc1cccc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000095430507 563931562 /nfs/dbraw/zinc/93/15/62/563931562.db2.gz GKLNEHZBVVYYIZ-IBGZPJMESA-N 1 1 309.413 4.034 50 30 DIEAMO C=CC[NH+](CC=C)Cc1c(C)[nH]c2c(C)cc(Cl)cc2c1=O ZINC000008717230 563949932 /nfs/dbraw/zinc/94/99/32/563949932.db2.gz MDGFDEHQVXDNDV-UHFFFAOYSA-N 1 1 316.832 4.385 50 30 DIEAMO C=CCn1ncc(C[N@@H+](Cc2cccnc2)C2CCCCC2)c1C ZINC000820505363 1057765710 /nfs/dbraw/zinc/76/57/10/1057765710.db2.gz RFXZYLWFBVLDCN-UHFFFAOYSA-N 1 1 324.472 4.107 50 30 DIEAMO C[C@H](c1cccs1)[N@@H+](C)Cc1ccc(C#CC(C)(C)O)s1 ZINC000065419474 184341264 /nfs/dbraw/zinc/34/12/64/184341264.db2.gz LBKBEUHNUWOIOE-CYBMUJFWSA-N 1 1 319.495 4.125 50 30 DIEAMO C=CCc1cc(Cl)ccc1OCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000004912927 519131803 /nfs/dbraw/zinc/13/18/03/519131803.db2.gz HABRQECMGVYQFZ-GASCZTMLSA-N 1 1 307.865 4.425 50 30 DIEAMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000009044220 563351615 /nfs/dbraw/zinc/35/16/15/563351615.db2.gz UUTPEVJSGSHFBN-CYBMUJFWSA-N 1 1 315.442 4.273 50 30 DIEAMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000009044220 563351616 /nfs/dbraw/zinc/35/16/16/563351616.db2.gz UUTPEVJSGSHFBN-CYBMUJFWSA-N 1 1 315.442 4.273 50 30 DIEAMO C[N@@H+](Cc1cn2ccccc2c1C#N)[C@H]1CCCc2ccccc21 ZINC000032888249 563408421 /nfs/dbraw/zinc/40/84/21/563408421.db2.gz PPBJZZIYDQVANR-FQEVSTJZSA-N 1 1 315.420 4.320 50 30 DIEAMO CC[C@H](C)[N@H+](CC#Cc1ccccc1)Cc1nc2ccccc2[nH]1 ZINC000067803602 563458193 /nfs/dbraw/zinc/45/81/93/563458193.db2.gz VOAJXIZSFJAZSP-KRWDZBQOSA-N 1 1 317.436 4.215 50 30 DIEAMO CC[C@H](C)[N@@H+](CC#Cc1ccccc1)Cc1nc2ccccc2[nH]1 ZINC000067803602 563458198 /nfs/dbraw/zinc/45/81/98/563458198.db2.gz VOAJXIZSFJAZSP-KRWDZBQOSA-N 1 1 317.436 4.215 50 30 DIEAMO C[C@H]1CCC[N@H+](CC(=O)Nc2nc(-c3ccccc3)cs2)C1 ZINC000051507585 563469130 /nfs/dbraw/zinc/46/91/30/563469130.db2.gz MTPVJDOYYNTHJC-ZDUSSCGKSA-N 1 1 315.442 4.130 50 30 DIEAMO C[C@H]1CCC[N@@H+](CC(=O)Nc2nc(-c3ccccc3)cs2)C1 ZINC000051507585 563469131 /nfs/dbraw/zinc/46/91/31/563469131.db2.gz MTPVJDOYYNTHJC-ZDUSSCGKSA-N 1 1 315.442 4.130 50 30 DIEAMO N#Cc1c(C[N@H+]2CC=C(c3ccccc3)CC2)cn2ccccc12 ZINC000014226669 563563505 /nfs/dbraw/zinc/56/35/05/563563505.db2.gz IVUVZMZCOFIGBK-UHFFFAOYSA-N 1 1 313.404 4.100 50 30 DIEAMO N#Cc1c(C[N@@H+]2CC=C(c3ccccc3)CC2)cn2ccccc12 ZINC000014226669 563563509 /nfs/dbraw/zinc/56/35/09/563563509.db2.gz IVUVZMZCOFIGBK-UHFFFAOYSA-N 1 1 313.404 4.100 50 30 DIEAMO C[C@@H](CC#CC[N@@H+]1CCCC[C@H]1c1cccnc1)OC(C)(C)C ZINC000245238585 563881402 /nfs/dbraw/zinc/88/14/02/563881402.db2.gz UVYNJXMISCVARO-HKUYNNGSSA-N 1 1 314.473 4.206 50 30 DIEAMO C[C@@H](CC#CC[N@H+]1CCCC[C@H]1c1cccnc1)OC(C)(C)C ZINC000245238585 563881403 /nfs/dbraw/zinc/88/14/03/563881403.db2.gz UVYNJXMISCVARO-HKUYNNGSSA-N 1 1 314.473 4.206 50 30 DIEAMO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)cc1 ZINC000012992702 563929058 /nfs/dbraw/zinc/92/90/58/563929058.db2.gz BFRXASKWRLJOIO-FQEVSTJZSA-N 1 1 306.409 4.294 50 30 DIEAMO Cc1nnc(Nc2ccc([NH+]3CCCCCC3)cc2)c(C#N)c1C ZINC000095349221 563931183 /nfs/dbraw/zinc/93/11/83/563931183.db2.gz QFPKJSKPMVJDIF-UHFFFAOYSA-N 1 1 321.428 4.089 50 30 DIEAMO CC(C)C[N@H+]1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000071769326 191030334 /nfs/dbraw/zinc/03/03/34/191030334.db2.gz IKOVEJQWOJVFBI-OAQYLSRUSA-N 1 1 318.464 4.474 50 30 DIEAMO N#C[C@]1(Br)C(=[NH2+])c2ccccc2CC12CCCCC2 ZINC000004791051 181152285 /nfs/dbraw/zinc/15/22/85/181152285.db2.gz OFHHCHHOQPGGML-INIZCTEOSA-N 1 1 317.230 4.218 50 30 DIEAMO [NH2+]=C1NC(=Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc21 ZINC000005731776 181278493 /nfs/dbraw/zinc/27/84/93/181278493.db2.gz QROZJKHQJHQABJ-UHFFFAOYSA-N 1 1 323.705 4.156 50 30 DIEAMO C#C[C@H]([NH2+]Cc1cccc(-c2cccnc2)c1)c1ccc(F)cc1 ZINC000408516930 257256093 /nfs/dbraw/zinc/25/60/93/257256093.db2.gz FUFCPTXLVDIUAE-NRFANRHFSA-N 1 1 316.379 4.352 50 30 DIEAMO CC[C@@H](C)[N@H+](CC#Cc1ccccc1)CCCn1nc(C)cc1C ZINC000055307552 563816535 /nfs/dbraw/zinc/81/65/35/563816535.db2.gz FCFXGNXTZWKBDY-LJQANCHMSA-N 1 1 323.484 4.042 50 30 DIEAMO C[N@@H+](CCC[C@@H]1CCCO1)Cc1ccc(-c2ccccc2C#N)o1 ZINC000215578891 563939153 /nfs/dbraw/zinc/93/91/53/563939153.db2.gz ZSNAOYMJGBVLIB-QGZVFWFLSA-N 1 1 324.424 4.209 50 30 DIEAMO COc1ccc2c(C#N)c(/C=C/[NH+](C)C)n(-c3ccccc3)c2c1 ZINC000016310236 1047387085 /nfs/dbraw/zinc/38/70/85/1047387085.db2.gz DLTNJMQYLSTPJB-VAWYXSNFSA-N 1 1 317.392 4.043 50 30 DIEAMO N#C[C@@]1(Br)C(=[NH2+])c2ccccc2CC12CCCCC2 ZINC000004480470 181112940 /nfs/dbraw/zinc/11/29/40/181112940.db2.gz OFHHCHHOQPGGML-MRXNPFEDSA-N 1 1 317.230 4.218 50 30 DIEAMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000024662659 182386991 /nfs/dbraw/zinc/38/69/91/182386991.db2.gz GBQQBZWMDRDPQR-KRWDZBQOSA-N 1 1 317.392 4.079 50 30 DIEAMO C=CCC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(C)cc1 ZINC000036101759 518719419 /nfs/dbraw/zinc/71/94/19/518719419.db2.gz MSDXDMRVWKWTOG-OAQYLSRUSA-N 1 1 309.453 4.324 50 30 DIEAMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](CCCCC#N)C1 ZINC000071907426 563332642 /nfs/dbraw/zinc/33/26/42/563332642.db2.gz NXANTCKKYCGNDF-QGZVFWFLSA-N 1 1 324.472 4.490 50 30 DIEAMO C[C@@H]1CCC[C@@H](C)[NH+]1CC(=O)Nc1nc2ccccc2s1 ZINC000050097578 563578113 /nfs/dbraw/zinc/57/81/13/563578113.db2.gz PIUABQJWXQXZJJ-VXGBXAGGSA-N 1 1 303.431 4.147 50 30 DIEAMO C=CC[NH+](CC=C)Cc1c(C)[nH]c2c(C)c(Cl)ccc2c1=O ZINC000008717149 563950030 /nfs/dbraw/zinc/95/00/30/563950030.db2.gz WTMCBTLYBVCPLQ-UHFFFAOYSA-N 1 1 316.832 4.385 50 30 DIEAMO O=C(Nc1ccc(Cl)cc1Cl)ONC1=[NH+]CCCCC1 ZINC000003167501 1044643620 /nfs/dbraw/zinc/64/36/20/1044643620.db2.gz XKBWNGMLFJFAQZ-UHFFFAOYSA-N 1 1 316.188 4.019 50 30 DIEAMO Cc1ccsc1C(=O)[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000020998618 182258922 /nfs/dbraw/zinc/25/89/22/182258922.db2.gz HELTVEZBHZAWBW-SFHVURJKSA-N 1 1 323.461 4.003 50 30 DIEAMO Cc1ccsc1C(=O)[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000020998618 182258923 /nfs/dbraw/zinc/25/89/23/182258923.db2.gz HELTVEZBHZAWBW-SFHVURJKSA-N 1 1 323.461 4.003 50 30 DIEAMO C=CCC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccccc1F ZINC000036103046 518725508 /nfs/dbraw/zinc/72/55/08/518725508.db2.gz RVXRXFOUYJGMDC-IBGZPJMESA-N 1 1 313.416 4.155 50 30 DIEAMO C=CCC[C@H](O)C[N@H+](Cc1ccc(C)s1)Cc1ccccc1 ZINC000036101173 518726458 /nfs/dbraw/zinc/72/64/58/518726458.db2.gz VPONCARDUQUKJQ-SFHVURJKSA-N 1 1 315.482 4.386 50 30 DIEAMO C=CC[N@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067696301 563444053 /nfs/dbraw/zinc/44/40/53/563444053.db2.gz JYDNEPHKKARGAG-UHFFFAOYSA-N 1 1 315.800 4.093 50 30 DIEAMO C=CC[N@@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067696301 563444056 /nfs/dbraw/zinc/44/40/56/563444056.db2.gz JYDNEPHKKARGAG-UHFFFAOYSA-N 1 1 315.800 4.093 50 30 DIEAMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2F)cc1 ZINC000012760966 563825495 /nfs/dbraw/zinc/82/54/95/563825495.db2.gz NHPPSBGBJIELBJ-LJQANCHMSA-N 1 1 310.372 4.043 50 30 DIEAMO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(C#N)c2)cc1 ZINC000012818223 563837597 /nfs/dbraw/zinc/83/75/97/563837597.db2.gz ZFGUQPZXNIYORP-FQEVSTJZSA-N 1 1 306.409 4.294 50 30 DIEAMO C=C(C)C[N@H+](CC)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000000214738 563840702 /nfs/dbraw/zinc/84/07/02/563840702.db2.gz UAYFHKQCAOYVKF-UHFFFAOYSA-N 1 1 300.358 4.253 50 30 DIEAMO N#Cc1c(C[N@H+]2CCC[C@]3(CC=CCC3)C2)cn2ccccc12 ZINC000170626888 563908783 /nfs/dbraw/zinc/90/87/83/563908783.db2.gz KDCFRCHMXDPMNE-HXUWFJFHSA-N 1 1 305.425 4.133 50 30 DIEAMO C(=[NH+]/CC12CC3CC(CC(C3)C1)C2)\c1ccc2c(c1)OCCO2 ZINC000007986630 1044693049 /nfs/dbraw/zinc/69/30/49/1044693049.db2.gz IBIUIGVCZNHFMA-CIAFOILYSA-N 1 1 311.425 4.093 50 30 DIEAMO CCn1cc(C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)cc1C#N ZINC000826773259 1050385208 /nfs/dbraw/zinc/38/52/08/1050385208.db2.gz CHFRKMVMWWBLPO-INIZCTEOSA-N 1 1 313.832 4.023 50 30 DIEAMO CCOc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2F)cc1 ZINC000057446883 184038495 /nfs/dbraw/zinc/03/84/95/184038495.db2.gz GHBNROZCFAORAW-HXUWFJFHSA-N 1 1 324.399 4.433 50 30 DIEAMO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2F)cc1 ZINC000057446877 184038550 /nfs/dbraw/zinc/03/85/50/184038550.db2.gz GHBNROZCFAORAW-FQEVSTJZSA-N 1 1 324.399 4.433 50 30 DIEAMO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2F)cc1 ZINC000057525140 184041552 /nfs/dbraw/zinc/04/15/52/184041552.db2.gz QBKQKTVYCIRPFP-HXUWFJFHSA-N 1 1 324.399 4.433 50 30 DIEAMO CCOc1ccc([C@H]2CCC[N@H+]2Cc2cc(C#N)ccc2F)cc1 ZINC000057525140 184041553 /nfs/dbraw/zinc/04/15/53/184041553.db2.gz QBKQKTVYCIRPFP-HXUWFJFHSA-N 1 1 324.399 4.433 50 30 DIEAMO C#CC[N@H+](Cc1nc(-c2ccc(C)o2)oc1C)C1CCCCC1 ZINC000023338255 518261653 /nfs/dbraw/zinc/26/16/53/518261653.db2.gz IRKUKWCOFNADLD-UHFFFAOYSA-N 1 1 312.413 4.319 50 30 DIEAMO C=CCC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(C)cc1 ZINC000036101760 518725165 /nfs/dbraw/zinc/72/51/65/518725165.db2.gz MSDXDMRVWKWTOG-NRFANRHFSA-N 1 1 309.453 4.324 50 30 DIEAMO C=CC[N@@H+](CC#Cc1ccccc1)Cc1ccc(O)c(Cl)c1 ZINC000055269793 518744741 /nfs/dbraw/zinc/74/47/41/518744741.db2.gz VBZDCKKBOYHMRD-UHFFFAOYSA-N 1 1 311.812 4.085 50 30 DIEAMO C=CC[N@H+](CC#Cc1ccccc1)Cc1ccc(O)c(Cl)c1 ZINC000055269793 518744736 /nfs/dbraw/zinc/74/47/36/518744736.db2.gz VBZDCKKBOYHMRD-UHFFFAOYSA-N 1 1 311.812 4.085 50 30 DIEAMO C=CCSc1ccccc1NC(=O)C[N@H+](C)C1CCCCC1 ZINC000032751274 519077748 /nfs/dbraw/zinc/07/77/48/519077748.db2.gz AJGRXTNBVIGOHM-UHFFFAOYSA-N 1 1 318.486 4.168 50 30 DIEAMO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)NCc2cccs2)cc1 ZINC000082049971 524397621 /nfs/dbraw/zinc/39/76/21/524397621.db2.gz FDODPNZHWAJIJR-AWEZNQCLSA-N 1 1 302.443 4.034 50 30 DIEAMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000009044217 563351597 /nfs/dbraw/zinc/35/15/97/563351597.db2.gz UUTPEVJSGSHFBN-ZDUSSCGKSA-N 1 1 315.442 4.273 50 30 DIEAMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000009044217 563351599 /nfs/dbraw/zinc/35/15/99/563351599.db2.gz UUTPEVJSGSHFBN-ZDUSSCGKSA-N 1 1 315.442 4.273 50 30 DIEAMO C=CC[N@H+](Cc1ccco1)Cc1cc(C)c(OC(C)=O)c(C)c1 ZINC000067458000 563422293 /nfs/dbraw/zinc/42/22/93/563422293.db2.gz CMJXGYAZSNHMQM-UHFFFAOYSA-N 1 1 313.397 4.010 50 30 DIEAMO C=CC[N@@H+](Cc1ccco1)Cc1cc(C)c(OC(C)=O)c(C)c1 ZINC000067458000 563422297 /nfs/dbraw/zinc/42/22/97/563422297.db2.gz CMJXGYAZSNHMQM-UHFFFAOYSA-N 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