smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc(C[NH+]2CCCC3(CCC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000004535513 210214511 /nfs/dbraw/zinc/21/45/11/210214511.db2.gz BIEPIHLKBKHTQC-UHFFFAOYSA-N 2 1 334.507 4.565 50 0 EJAAMP CC(C)(C)C1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000006761714 201057298 /nfs/dbraw/zinc/05/72/98/201057298.db2.gz CRYJHBSXJQPSBQ-UHFFFAOYSA-N 2 1 328.544 4.846 50 0 EJAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@@H+]1Cc1ccccc1-c1ccco1 ZINC000215298625 241117967 /nfs/dbraw/zinc/11/79/67/241117967.db2.gz KVYWKXMZZZJVJN-HXUWFJFHSA-N 2 1 349.478 4.896 50 0 EJAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@H+]1Cc1ccccc1-c1ccco1 ZINC000215298625 241117971 /nfs/dbraw/zinc/11/79/71/241117971.db2.gz KVYWKXMZZZJVJN-HXUWFJFHSA-N 2 1 349.478 4.896 50 0 EJAAMP CC[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1c(C)noc1C ZINC000090886540 564086942 /nfs/dbraw/zinc/08/69/42/564086942.db2.gz DAVNJCKUTULPKH-BFUOFWGJSA-N 2 1 338.455 4.587 50 0 EJAAMP CC(C)CC[C@@H](CC[NH2+]C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000006670460 201689604 /nfs/dbraw/zinc/68/96/04/201689604.db2.gz NCFHPFLZMUSCGW-SFHVURJKSA-N 2 1 336.951 4.934 50 0 EJAAMP CCC[NH+]1CCC([N@H+](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000004022131 210102100 /nfs/dbraw/zinc/10/21/00/210102100.db2.gz NMRZQUUJBDMTEU-UHFFFAOYSA-N 2 1 336.523 4.606 50 0 EJAAMP CCC[NH+]1CCC([N@@H+](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000004022131 210102106 /nfs/dbraw/zinc/10/21/06/210102106.db2.gz NMRZQUUJBDMTEU-UHFFFAOYSA-N 2 1 336.523 4.606 50 0 EJAAMP c1ccc(C[NH+]2CCC([NH2+]C3CCC(c4ccccc4)CC3)CC2)cc1 ZINC000002499220 563469472 /nfs/dbraw/zinc/46/94/72/563469472.db2.gz ATKGJDNWJJXSJB-UHFFFAOYSA-N 2 1 348.534 4.967 50 0 EJAAMP CC(C)CC[C@H](CC[NH2+]C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000006670461 564095735 /nfs/dbraw/zinc/09/57/35/564095735.db2.gz NCFHPFLZMUSCGW-GOSISDBHSA-N 2 1 336.951 4.934 50 0 EJAAMP CC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1c(C)noc1C ZINC000090886535 564086929 /nfs/dbraw/zinc/08/69/29/564086929.db2.gz DAVNJCKUTULPKH-ORAYPTAESA-N 2 1 338.455 4.587 50 0 EJAAMP c1ccc(-c2ccc(C[NH+]3CCC([NH+]4CCCCC4)CC3)cc2)cc1 ZINC000002497398 563917978 /nfs/dbraw/zinc/91/79/78/563917978.db2.gz FPUWJBYHYRFGPG-UHFFFAOYSA-N 2 1 334.507 4.804 50 0 EJAAMP CC(C)C[NH+]1CCC([NH2+][C@@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000095967256 564143034 /nfs/dbraw/zinc/14/30/34/564143034.db2.gz VEDUATXGSKWVNV-HXUWFJFHSA-N 2 1 342.527 4.533 50 0 EJAAMP CC[NH+](CC)Cc1ccccc1CNc1cc[nH+]c2ccsc21 ZINC000078903611 217145364 /nfs/dbraw/zinc/14/53/64/217145364.db2.gz GPRPWFFTDREQLD-UHFFFAOYSA-N 2 1 325.481 4.750 50 0 EJAAMP Cc1c2ccccc2sc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000000153853 563247070 /nfs/dbraw/zinc/24/70/70/563247070.db2.gz MUIINZBOGQAMTQ-UHFFFAOYSA-N 2 1 328.525 4.660 50 0 EJAAMP C[C@@H]1CCC[N@H+](C2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)C1 ZINC000001166993 563376970 /nfs/dbraw/zinc/37/69/70/563376970.db2.gz RKMFYLNHYCBZIB-JSRJAPPDSA-N 2 1 340.555 4.909 50 0 EJAAMP C[C@H]1CCC[N@H+](C2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)C1 ZINC000001166992 563376981 /nfs/dbraw/zinc/37/69/81/563376981.db2.gz RKMFYLNHYCBZIB-KPQWGBOZSA-N 2 1 340.555 4.909 50 0 EJAAMP CC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1c(C)noc1C ZINC000090886533 564086932 /nfs/dbraw/zinc/08/69/32/564086932.db2.gz DAVNJCKUTULPKH-DJJJIMSYSA-N 2 1 338.455 4.587 50 0 EJAAMP CC(C)C[NH+]1CCC([NH2+][C@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000095967257 564143020 /nfs/dbraw/zinc/14/30/20/564143020.db2.gz VEDUATXGSKWVNV-FQEVSTJZSA-N 2 1 342.527 4.533 50 0 EJAAMP CC[N@H+](Cc1ccccc1)C1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000004745640 210266797 /nfs/dbraw/zinc/26/67/97/210266797.db2.gz UWISHQIHEOOXAU-UHFFFAOYSA-N 2 1 347.506 4.654 50 0 EJAAMP CC[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000004745640 210266801 /nfs/dbraw/zinc/26/68/01/210266801.db2.gz UWISHQIHEOOXAU-UHFFFAOYSA-N 2 1 347.506 4.654 50 0 EJAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@@H+]1Cc1ccccc1-c1ccco1 ZINC000215298580 241117187 /nfs/dbraw/zinc/11/71/87/241117187.db2.gz KVYWKXMZZZJVJN-FQEVSTJZSA-N 2 1 349.478 4.896 50 0 EJAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@H+]1Cc1ccccc1-c1ccco1 ZINC000215298580 241117191 /nfs/dbraw/zinc/11/71/91/241117191.db2.gz KVYWKXMZZZJVJN-FQEVSTJZSA-N 2 1 349.478 4.896 50 0 EJAAMP CC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1c(C)noc1C ZINC000090886537 564086926 /nfs/dbraw/zinc/08/69/26/564086926.db2.gz DAVNJCKUTULPKH-YJYMSZOUSA-N 2 1 338.455 4.587 50 0 EJAAMP c1ccc(-c2cc(NCC[NH+]3CCCCC3)c3ccccc3[nH+]2)cc1 ZINC000000084281 564118820 /nfs/dbraw/zinc/11/88/20/564118820.db2.gz SGXGHCIPPADGCD-UHFFFAOYSA-N 2 1 331.463 4.800 50 0 EJAAMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000071817331 564175622 /nfs/dbraw/zinc/17/56/22/564175622.db2.gz RMMPQRRNEDASTR-UHFFFAOYSA-N 2 1 346.515 4.764 50 0 EJAAMP C[NH+]1CCC([NH2+]CCC2(Cc3ccc(Cl)cc3)CCCCC2)CC1 ZINC000096536565 564148821 /nfs/dbraw/zinc/14/88/21/564148821.db2.gz PZLDDSDTJZRTFT-UHFFFAOYSA-N 2 1 348.962 4.907 50 0 EJAAMP