smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc2c(c1)C[NH+](CCC[NH+]1CCCCC1)C2 ZINC000160988001 384453043 /nfs/dbraw/zinc/45/30/43/384453043.db2.gz FUUPDXSNHVDPOA-UHFFFAOYSA-N 2 2 244.382 2.878 20 70 BFIDLP CC[NH2+]CC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000161308036 170115634 /nfs/dbraw/zinc/11/56/34/170115634.db2.gz HWXGXHUYKYYEHV-UHFFFAOYSA-N 2 2 247.169 2.693 20 70 BFIDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C(C)C)C1CC1 ZINC000161208142 387149343 /nfs/dbraw/zinc/14/93/43/387149343.db2.gz GVDGTCOUPJISKT-HUUCEWRRSA-N 2 2 238.419 2.885 20 70 BFIDLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C(C)C)C1CC1 ZINC000161208142 387149345 /nfs/dbraw/zinc/14/93/45/387149345.db2.gz GVDGTCOUPJISKT-HUUCEWRRSA-N 2 2 238.419 2.885 20 70 BFIDLP C[C@H](c1ccccc1F)[N@H+](C)CCn1cc[nH+]c1 ZINC000161425248 177041084 /nfs/dbraw/zinc/04/10/84/177041084.db2.gz IDNQNROPOKLDGU-GFCCVEGCSA-N 2 2 247.317 2.715 20 70 BFIDLP C[C@H](c1ccccc1F)[N@@H+](C)CCn1cc[nH+]c1 ZINC000161425248 177041086 /nfs/dbraw/zinc/04/10/86/177041086.db2.gz IDNQNROPOKLDGU-GFCCVEGCSA-N 2 2 247.317 2.715 20 70 BFIDLP Cc1occc1C[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000161474044 384493600 /nfs/dbraw/zinc/49/36/00/384493600.db2.gz WKWIYPVTANWCKF-AWEZNQCLSA-N 2 2 236.359 2.504 20 70 BFIDLP Cc1occc1C[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000161474044 384493602 /nfs/dbraw/zinc/49/36/02/384493602.db2.gz WKWIYPVTANWCKF-AWEZNQCLSA-N 2 2 236.359 2.504 20 70 BFIDLP Cc1occc1C[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000161474044 384493604 /nfs/dbraw/zinc/49/36/04/384493604.db2.gz WKWIYPVTANWCKF-AWEZNQCLSA-N 2 2 236.359 2.504 20 70 BFIDLP Cc1occc1C[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000161474044 384493607 /nfs/dbraw/zinc/49/36/07/384493607.db2.gz WKWIYPVTANWCKF-AWEZNQCLSA-N 2 2 236.359 2.504 20 70 BFIDLP C[C@H](C[NH2+]CC(C)(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000218107041 372062697 /nfs/dbraw/zinc/06/26/97/372062697.db2.gz AISRTQPZFOJZPV-CHWSQXEVSA-N 2 2 226.408 2.743 20 70 BFIDLP C[C@H](C[NH2+]CC(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000218107041 372062701 /nfs/dbraw/zinc/06/27/01/372062701.db2.gz AISRTQPZFOJZPV-CHWSQXEVSA-N 2 2 226.408 2.743 20 70 BFIDLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CC1CC1 ZINC000159406081 384064540 /nfs/dbraw/zinc/06/45/40/384064540.db2.gz YKTLQYHXYCHSMJ-UHFFFAOYSA-N 2 2 246.398 2.897 20 70 BFIDLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CC1CC1 ZINC000159406081 384064545 /nfs/dbraw/zinc/06/45/45/384064545.db2.gz YKTLQYHXYCHSMJ-UHFFFAOYSA-N 2 2 246.398 2.897 20 70 BFIDLP Cc1ccc(C[N@H+](C)CC[C@@H]2CCC[NH+]2C)o1 ZINC000161288498 384478850 /nfs/dbraw/zinc/47/88/50/384478850.db2.gz IKTQODATJDYTLW-ZDUSSCGKSA-N 2 2 236.359 2.504 20 70 BFIDLP Cc1ccc(C[N@@H+](C)CC[C@@H]2CCC[NH+]2C)o1 ZINC000161288498 384478855 /nfs/dbraw/zinc/47/88/55/384478855.db2.gz IKTQODATJDYTLW-ZDUSSCGKSA-N 2 2 236.359 2.504 20 70 BFIDLP Cc1ccc(C[NH+](C)CC[C@@H]2CCC[N@@H+]2C)o1 ZINC000161288498 384478863 /nfs/dbraw/zinc/47/88/63/384478863.db2.gz IKTQODATJDYTLW-ZDUSSCGKSA-N 2 2 236.359 2.504 20 70 BFIDLP Cc1ccc(C[NH+](C)CC[C@@H]2CCC[N@H+]2C)o1 ZINC000161288498 384478866 /nfs/dbraw/zinc/47/88/66/384478866.db2.gz IKTQODATJDYTLW-ZDUSSCGKSA-N 2 2 236.359 2.504 20 70 BFIDLP CC(C)(C)CC(C)(C)[NH2+]CCn1cc[nH+]c1 ZINC000159804327 388031561 /nfs/dbraw/zinc/03/15/61/388031561.db2.gz GGYXDSHIVKEHAZ-UHFFFAOYSA-N 2 2 223.364 2.688 20 70 BFIDLP C[N@H+](CCC[NH+]1CCCCC1)Cc1ccco1 ZINC000161221152 384476184 /nfs/dbraw/zinc/47/61/84/384476184.db2.gz RPJJVMRGDWGQEA-UHFFFAOYSA-N 2 2 236.359 2.587 20 70 BFIDLP C[N@@H+](CCC[NH+]1CCCCC1)Cc1ccco1 ZINC000161221152 384476188 /nfs/dbraw/zinc/47/61/88/384476188.db2.gz RPJJVMRGDWGQEA-UHFFFAOYSA-N 2 2 236.359 2.587 20 70 BFIDLP CCc1cccc([N@H+](C)CC2CC[NH2+]CC2)c1 ZINC000216731890 345743343 /nfs/dbraw/zinc/74/33/43/345743343.db2.gz JHNYXDOBHXLRPQ-UHFFFAOYSA-N 2 2 232.371 2.685 20 70 BFIDLP CCc1cccc([N@@H+](C)CC2CC[NH2+]CC2)c1 ZINC000216731890 345743347 /nfs/dbraw/zinc/74/33/47/345743347.db2.gz JHNYXDOBHXLRPQ-UHFFFAOYSA-N 2 2 232.371 2.685 20 70 BFIDLP c1cn(CC[N@@H+]2CCC[C@H]2c2ccccc2)c[nH+]1 ZINC000159692788 384352200 /nfs/dbraw/zinc/35/22/00/384352200.db2.gz GMYTVMHGCGMZAN-HNNXBMFYSA-N 2 2 241.338 2.720 20 70 BFIDLP c1cn(CC[N@H+]2CCC[C@H]2c2ccccc2)c[nH+]1 ZINC000159692788 384352206 /nfs/dbraw/zinc/35/22/06/384352206.db2.gz GMYTVMHGCGMZAN-HNNXBMFYSA-N 2 2 241.338 2.720 20 70 BFIDLP C[C@@H](c1ccccc1F)[N@H+](C)CCn1cc[nH+]c1 ZINC000161425126 176025481 /nfs/dbraw/zinc/02/54/81/176025481.db2.gz IDNQNROPOKLDGU-LBPRGKRZSA-N 2 2 247.317 2.715 20 70 BFIDLP C[C@@H](c1ccccc1F)[N@@H+](C)CCn1cc[nH+]c1 ZINC000161425126 176025483 /nfs/dbraw/zinc/02/54/83/176025483.db2.gz IDNQNROPOKLDGU-LBPRGKRZSA-N 2 2 247.317 2.715 20 70 BFIDLP C[C@@H](c1cccs1)[N@H+](C)CCn1cc[nH+]c1 ZINC000159756817 176033293 /nfs/dbraw/zinc/03/32/93/176033293.db2.gz PAZPZQVUJFKFMS-NSHDSACASA-N 2 2 235.356 2.638 20 70 BFIDLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C(C1CC1)C1CC1 ZINC000161170359 323149711 /nfs/dbraw/zinc/14/97/11/323149711.db2.gz GJWJLSXEAPNJAM-AWEZNQCLSA-N 2 2 236.403 2.639 20 70 BFIDLP CC[N@H+]1CCCC[C@H]1C[NH2+]C(C1CC1)C1CC1 ZINC000161170359 323149712 /nfs/dbraw/zinc/14/97/12/323149712.db2.gz GJWJLSXEAPNJAM-AWEZNQCLSA-N 2 2 236.403 2.639 20 70 BFIDLP C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccsc1 ZINC000161309630 538915254 /nfs/dbraw/zinc/91/52/54/538915254.db2.gz UEAKVGKFUCURHN-ZDUSSCGKSA-N 2 2 238.400 2.664 20 70 BFIDLP C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccsc1 ZINC000161309630 538915255 /nfs/dbraw/zinc/91/52/55/538915255.db2.gz UEAKVGKFUCURHN-ZDUSSCGKSA-N 2 2 238.400 2.664 20 70 BFIDLP C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccsc1 ZINC000161309630 538915256 /nfs/dbraw/zinc/91/52/56/538915256.db2.gz UEAKVGKFUCURHN-ZDUSSCGKSA-N 2 2 238.400 2.664 20 70 BFIDLP C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccsc1 ZINC000161309630 538915257 /nfs/dbraw/zinc/91/52/57/538915257.db2.gz UEAKVGKFUCURHN-ZDUSSCGKSA-N 2 2 238.400 2.664 20 70 BFIDLP [NH3+]C[C@@H]1CCCC[N@@H+]1C/C=C\c1ccccc1 ZINC000217600526 357909677 /nfs/dbraw/zinc/90/96/77/357909677.db2.gz JYPAZHKMWSSXIJ-AJHXJQRKSA-N 2 2 230.355 2.513 20 70 BFIDLP [NH3+]C[C@@H]1CCCC[N@H+]1C/C=C\c1ccccc1 ZINC000217600526 357909681 /nfs/dbraw/zinc/90/96/81/357909681.db2.gz JYPAZHKMWSSXIJ-AJHXJQRKSA-N 2 2 230.355 2.513 20 70 BFIDLP c1cn(CC[N@H+](Cc2ccccc2)C2CC2)c[nH+]1 ZINC000159711571 183397053 /nfs/dbraw/zinc/39/70/53/183397053.db2.gz DWOWRNZRAPBSPY-UHFFFAOYSA-N 2 2 241.338 2.548 20 70 BFIDLP c1cn(CC[N@@H+](Cc2ccccc2)C2CC2)c[nH+]1 ZINC000159711571 183397057 /nfs/dbraw/zinc/39/70/57/183397057.db2.gz DWOWRNZRAPBSPY-UHFFFAOYSA-N 2 2 241.338 2.548 20 70 BFIDLP C[C@@H](c1ccco1)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000161499959 176030997 /nfs/dbraw/zinc/03/09/97/176030997.db2.gz OWUAJGCPYMCBEO-STQMWFEESA-N 2 2 236.359 2.757 20 70 BFIDLP C[C@@H](c1ccco1)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000161499959 176030998 /nfs/dbraw/zinc/03/09/98/176030998.db2.gz OWUAJGCPYMCBEO-STQMWFEESA-N 2 2 236.359 2.757 20 70 BFIDLP C[C@@H](c1ccco1)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000161499959 176030999 /nfs/dbraw/zinc/03/09/99/176030999.db2.gz OWUAJGCPYMCBEO-STQMWFEESA-N 2 2 236.359 2.757 20 70 BFIDLP C[C@@H](c1ccco1)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000161499959 176031000 /nfs/dbraw/zinc/03/10/00/176031000.db2.gz OWUAJGCPYMCBEO-STQMWFEESA-N 2 2 236.359 2.757 20 70 BFIDLP C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccsc1 ZINC000161309492 538915345 /nfs/dbraw/zinc/91/53/45/538915345.db2.gz UEAKVGKFUCURHN-CYBMUJFWSA-N 2 2 238.400 2.664 20 70 BFIDLP C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccsc1 ZINC000161309492 538915347 /nfs/dbraw/zinc/91/53/47/538915347.db2.gz UEAKVGKFUCURHN-CYBMUJFWSA-N 2 2 238.400 2.664 20 70 BFIDLP C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccsc1 ZINC000161309492 538915348 /nfs/dbraw/zinc/91/53/48/538915348.db2.gz UEAKVGKFUCURHN-CYBMUJFWSA-N 2 2 238.400 2.664 20 70 BFIDLP C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccsc1 ZINC000161309492 538915350 /nfs/dbraw/zinc/91/53/50/538915350.db2.gz UEAKVGKFUCURHN-CYBMUJFWSA-N 2 2 238.400 2.664 20 70 BFIDLP C[C@H](C[NH2+]CC(C)(C)C)[N@@H+]1CCCC[C@@H]1C ZINC000218106157 372062631 /nfs/dbraw/zinc/06/26/31/372062631.db2.gz NCDNAAOGMBHSMF-QWHCGFSZSA-N 2 2 226.408 2.885 20 70 BFIDLP C[C@H](C[NH2+]CC(C)(C)C)[N@H+]1CCCC[C@@H]1C ZINC000218106157 372062636 /nfs/dbraw/zinc/06/26/36/372062636.db2.gz NCDNAAOGMBHSMF-QWHCGFSZSA-N 2 2 226.408 2.885 20 70 BFIDLP c1csc(C[N@@H+](CCn2cc[nH+]c2)C2CC2)c1 ZINC000159712466 384351252 /nfs/dbraw/zinc/35/12/52/384351252.db2.gz HRPGYOJKXZMKOR-UHFFFAOYSA-N 2 2 247.367 2.609 20 70 BFIDLP c1csc(C[N@H+](CCn2cc[nH+]c2)C2CC2)c1 ZINC000159712466 384351253 /nfs/dbraw/zinc/35/12/53/384351253.db2.gz HRPGYOJKXZMKOR-UHFFFAOYSA-N 2 2 247.367 2.609 20 70 BFIDLP C[C@H](c1ccco1)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000161500074 177047379 /nfs/dbraw/zinc/04/73/79/177047379.db2.gz OWUAJGCPYMCBEO-OLZOCXBDSA-N 2 2 236.359 2.757 20 70 BFIDLP C[C@H](c1ccco1)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000161500074 177047380 /nfs/dbraw/zinc/04/73/80/177047380.db2.gz OWUAJGCPYMCBEO-OLZOCXBDSA-N 2 2 236.359 2.757 20 70 BFIDLP C[C@H](c1ccco1)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000161500074 177047382 /nfs/dbraw/zinc/04/73/82/177047382.db2.gz OWUAJGCPYMCBEO-OLZOCXBDSA-N 2 2 236.359 2.757 20 70 BFIDLP C[C@H](c1ccco1)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000161500074 177047385 /nfs/dbraw/zinc/04/73/85/177047385.db2.gz OWUAJGCPYMCBEO-OLZOCXBDSA-N 2 2 236.359 2.757 20 70 BFIDLP Cc1ccc([C@@H](C)[N@H+](C)CCn2cc[nH+]c2)cc1 ZINC000159750509 384353663 /nfs/dbraw/zinc/35/36/63/384353663.db2.gz SHHYSRFYNUABBS-CQSZACIVSA-N 2 2 243.354 2.885 20 70 BFIDLP Cc1ccc([C@@H](C)[N@@H+](C)CCn2cc[nH+]c2)cc1 ZINC000159750509 384353667 /nfs/dbraw/zinc/35/36/67/384353667.db2.gz SHHYSRFYNUABBS-CQSZACIVSA-N 2 2 243.354 2.885 20 70 BFIDLP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccco1 ZINC000160162812 323062466 /nfs/dbraw/zinc/06/24/66/323062466.db2.gz YSUVUOWBLFQETB-GFCCVEGCSA-N 2 2 248.370 2.805 20 70 BFIDLP Cc1ccc([C@H](C)[N@H+](C)CCn2cc[nH+]c2)cc1 ZINC000159750658 384353967 /nfs/dbraw/zinc/35/39/67/384353967.db2.gz SHHYSRFYNUABBS-AWEZNQCLSA-N 2 2 243.354 2.885 20 70 BFIDLP Cc1ccc([C@H](C)[N@@H+](C)CCn2cc[nH+]c2)cc1 ZINC000159750658 384353975 /nfs/dbraw/zinc/35/39/75/384353975.db2.gz SHHYSRFYNUABBS-AWEZNQCLSA-N 2 2 243.354 2.885 20 70 BFIDLP c1cn(CC[N@H+](CC2CCCCC2)C2CC2)c[nH+]1 ZINC000159767082 323047441 /nfs/dbraw/zinc/04/74/41/323047441.db2.gz JJDBVZUGBIICPN-UHFFFAOYSA-N 2 2 247.386 2.928 20 70 BFIDLP c1cn(CC[N@@H+](CC2CCCCC2)C2CC2)c[nH+]1 ZINC000159767082 323047442 /nfs/dbraw/zinc/04/74/42/323047442.db2.gz JJDBVZUGBIICPN-UHFFFAOYSA-N 2 2 247.386 2.928 20 70 BFIDLP CCC(CC)C[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000161044543 349366172 /nfs/dbraw/zinc/36/61/72/349366172.db2.gz VOIVEIRVIUASIP-CQSZACIVSA-N 2 2 224.392 2.593 20 70 BFIDLP CCC(CC)C[N@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000161044543 349366176 /nfs/dbraw/zinc/36/61/76/349366176.db2.gz VOIVEIRVIUASIP-CQSZACIVSA-N 2 2 224.392 2.593 20 70 BFIDLP CCC(CC)C[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000161044543 349366180 /nfs/dbraw/zinc/36/61/80/349366180.db2.gz VOIVEIRVIUASIP-CQSZACIVSA-N 2 2 224.392 2.593 20 70 BFIDLP CCC(CC)C[NH+]1CCC[N@H+]2CCC[C@@H]2C1 ZINC000161044543 349366183 /nfs/dbraw/zinc/36/61/83/349366183.db2.gz VOIVEIRVIUASIP-CQSZACIVSA-N 2 2 224.392 2.593 20 70 BFIDLP Cc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)o1 ZINC000161289688 384480745 /nfs/dbraw/zinc/48/07/45/384480745.db2.gz ZQGAWXHTELIVMN-UHFFFAOYSA-N 2 2 236.359 2.506 20 70 BFIDLP Cc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)o1 ZINC000161289688 384480749 /nfs/dbraw/zinc/48/07/49/384480749.db2.gz ZQGAWXHTELIVMN-UHFFFAOYSA-N 2 2 236.359 2.506 20 70 BFIDLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C(C)C)C1CC1 ZINC000161208277 387148822 /nfs/dbraw/zinc/14/88/22/387148822.db2.gz GVDGTCOUPJISKT-LSDHHAIUSA-N 2 2 238.419 2.885 20 70 BFIDLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H](C(C)C)C1CC1 ZINC000161208277 387148831 /nfs/dbraw/zinc/14/88/31/387148831.db2.gz GVDGTCOUPJISKT-LSDHHAIUSA-N 2 2 238.419 2.885 20 70 BFIDLP Cc1ccc(C[N@H+](C)CC[C@H]2CCC[NH+]2C)o1 ZINC000161288640 384479539 /nfs/dbraw/zinc/47/95/39/384479539.db2.gz IKTQODATJDYTLW-CYBMUJFWSA-N 2 2 236.359 2.504 20 70 BFIDLP Cc1ccc(C[N@@H+](C)CC[C@H]2CCC[NH+]2C)o1 ZINC000161288640 384479545 /nfs/dbraw/zinc/47/95/45/384479545.db2.gz IKTQODATJDYTLW-CYBMUJFWSA-N 2 2 236.359 2.504 20 70 BFIDLP Cc1ccc(C[NH+](C)CC[C@H]2CCC[N@@H+]2C)o1 ZINC000161288640 384479550 /nfs/dbraw/zinc/47/95/50/384479550.db2.gz IKTQODATJDYTLW-CYBMUJFWSA-N 2 2 236.359 2.504 20 70 BFIDLP Cc1ccc(C[NH+](C)CC[C@H]2CCC[N@H+]2C)o1 ZINC000161288640 384479555 /nfs/dbraw/zinc/47/95/55/384479555.db2.gz IKTQODATJDYTLW-CYBMUJFWSA-N 2 2 236.359 2.504 20 70 BFIDLP Cc1occc1C[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000161474213 384493379 /nfs/dbraw/zinc/49/33/79/384493379.db2.gz WKWIYPVTANWCKF-CQSZACIVSA-N 2 2 236.359 2.504 20 70 BFIDLP Cc1occc1C[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000161474213 384493380 /nfs/dbraw/zinc/49/33/80/384493380.db2.gz WKWIYPVTANWCKF-CQSZACIVSA-N 2 2 236.359 2.504 20 70 BFIDLP Cc1occc1C[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000161474213 384493382 /nfs/dbraw/zinc/49/33/82/384493382.db2.gz WKWIYPVTANWCKF-CQSZACIVSA-N 2 2 236.359 2.504 20 70 BFIDLP Cc1occc1C[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000161474213 384493384 /nfs/dbraw/zinc/49/33/84/384493384.db2.gz WKWIYPVTANWCKF-CQSZACIVSA-N 2 2 236.359 2.504 20 70 BFIDLP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccco1 ZINC000160162676 323062560 /nfs/dbraw/zinc/06/25/60/323062560.db2.gz YSUVUOWBLFQETB-LBPRGKRZSA-N 2 2 248.370 2.805 20 70 BFIDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C(C1CC1)C1CC1 ZINC000161170239 323149700 /nfs/dbraw/zinc/14/97/00/323149700.db2.gz GJWJLSXEAPNJAM-CQSZACIVSA-N 2 2 236.403 2.639 20 70 BFIDLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C(C1CC1)C1CC1 ZINC000161170239 323149701 /nfs/dbraw/zinc/14/97/01/323149701.db2.gz GJWJLSXEAPNJAM-CQSZACIVSA-N 2 2 236.403 2.639 20 70 BFIDLP [NH3+]C[C@H]1CCCC[N@@H+]1C/C=C\c1ccccc1 ZINC000217600611 357910010 /nfs/dbraw/zinc/91/00/10/357910010.db2.gz JYPAZHKMWSSXIJ-WUKHSURWSA-N 2 2 230.355 2.513 20 70 BFIDLP [NH3+]C[C@H]1CCCC[N@H+]1C/C=C\c1ccccc1 ZINC000217600611 357910011 /nfs/dbraw/zinc/91/00/11/357910011.db2.gz JYPAZHKMWSSXIJ-WUKHSURWSA-N 2 2 230.355 2.513 20 70 BFIDLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccccc1C ZINC000159723771 384350731 /nfs/dbraw/zinc/35/07/31/384350731.db2.gz VGUVTVBIZIZGLA-UHFFFAOYSA-N 2 2 243.354 2.714 20 70 BFIDLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1C ZINC000159723771 384350736 /nfs/dbraw/zinc/35/07/36/384350736.db2.gz VGUVTVBIZIZGLA-UHFFFAOYSA-N 2 2 243.354 2.714 20 70 BFIDLP c1cn(CC[N@H+](CC2CC2)C2CCCCC2)c[nH+]1 ZINC000159803914 323048830 /nfs/dbraw/zinc/04/88/30/323048830.db2.gz JIZYKJOOHNYUJG-UHFFFAOYSA-N 2 2 247.386 2.928 20 70 BFIDLP c1cn(CC[N@@H+](CC2CC2)C2CCCCC2)c[nH+]1 ZINC000159803914 323048831 /nfs/dbraw/zinc/04/88/31/323048831.db2.gz JIZYKJOOHNYUJG-UHFFFAOYSA-N 2 2 247.386 2.928 20 70 BFIDLP c1cn(CC[N@@H+]2CCC[C@@H]2c2ccccc2)c[nH+]1 ZINC000159692881 384352673 /nfs/dbraw/zinc/35/26/73/384352673.db2.gz GMYTVMHGCGMZAN-OAHLLOKOSA-N 2 2 241.338 2.720 20 70 BFIDLP c1cn(CC[N@H+]2CCC[C@@H]2c2ccccc2)c[nH+]1 ZINC000159692881 384352679 /nfs/dbraw/zinc/35/26/79/384352679.db2.gz GMYTVMHGCGMZAN-OAHLLOKOSA-N 2 2 241.338 2.720 20 70 BFIDLP C[C@H](c1cccs1)[N@H+](C)CCn1cc[nH+]c1 ZINC000159756927 177048569 /nfs/dbraw/zinc/04/85/69/177048569.db2.gz PAZPZQVUJFKFMS-LLVKDONJSA-N 2 2 235.356 2.638 20 70 BFIDLP