smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NC[C@@H](O)CN1CCCCC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000160248556 565237847 /nfs/dbraw/zinc/23/78/47/565237847.db2.gz BHJAMAJRYUSBND-OAHLLOKOSA-N 0 3 379.913 3.040 10 70 GGIEHN CSc1cc(C(=O)NC[C@H](O)CN2CCCCC2)c(Cl)cc1Cl ZINC000160576740 565251539 /nfs/dbraw/zinc/25/15/39/565251539.db2.gz TXTCXFCKCGZWSK-NSHDSACASA-N 0 3 377.337 3.292 10 70 GGIEHN O=C(NC[C@@H](O)CN1CCCCC1)Nc1ccc(Br)c(Cl)c1 ZINC000161289174 565280489 /nfs/dbraw/zinc/28/04/89/565280489.db2.gz TXDFWYHPQLWCIE-GFCCVEGCSA-N 0 3 390.709 3.071 10 70 GGIEHN COc1c(Br)c(C)sc1C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000161393495 565283541 /nfs/dbraw/zinc/28/35/41/565283541.db2.gz CLFPIGZHGZMRTP-GXSJLCMTSA-N 0 3 375.332 3.286 10 70 GGIEHN O=C(NC[C@@H](O)CN1CCCCC1)c1csc(-c2ccc(Cl)s2)n1 ZINC000160062717 565228700 /nfs/dbraw/zinc/22/87/00/565228700.db2.gz HVIUNQKKJXQFFH-LLVKDONJSA-N 0 3 385.942 3.102 10 70 GGIEHN O=C(NC[C@@H](O)CN1CCCCC1)c1csc(-c2ccccc2Cl)n1 ZINC000160142181 565232395 /nfs/dbraw/zinc/23/23/95/565232395.db2.gz GTHOFNZYEQOWFZ-CYBMUJFWSA-N 0 3 379.913 3.040 10 70 GGIEHN O=C(CCCOc1cccc(Cl)c1Cl)NC[C@@H](O)CN1CCCCC1 ZINC000160186471 565235517 /nfs/dbraw/zinc/23/55/17/565235517.db2.gz BHMCFYJLGLTLNW-CQSZACIVSA-N 0 3 389.323 3.115 10 70 GGIEHN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160546868 565249762 /nfs/dbraw/zinc/24/97/62/565249762.db2.gz SOUKHLGXQJVKLO-LBPRGKRZSA-N 0 3 399.969 3.410 10 70 GGIEHN Cc1c2cc(Br)ccc2oc1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160598263 565252973 /nfs/dbraw/zinc/25/29/73/565252973.db2.gz BUKPALYKRIUTDB-CQSZACIVSA-N 0 3 395.297 3.080 10 70 GGIEHN CCN1CCCN(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000159739037 565216683 /nfs/dbraw/zinc/21/66/83/565216683.db2.gz GHCZSKJGPFFWGS-OAHLLOKOSA-N 0 3 382.302 3.010 10 70 GGIEHN O=C(CCCCc1ccc(Br)cc1)NC[C@H](O)CN1CCCCC1 ZINC000159963848 565224567 /nfs/dbraw/zinc/22/45/67/565224567.db2.gz ZKUXHZSAJDVWAI-SFHVURJKSA-N 0 3 397.357 3.125 10 70 GGIEHN O=C(CSc1cc(Cl)ccc1Cl)NC[C@H](O)CN1CCCCC1 ZINC000160335480 565241551 /nfs/dbraw/zinc/24/15/51/565241551.db2.gz MWLUAZMQPLKSGG-ZDUSSCGKSA-N 0 3 377.337 3.049 10 70 GGIEHN CCn1nc(C)cc1C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000161505418 565286164 /nfs/dbraw/zinc/28/61/64/565286164.db2.gz LUMFFJJMIGLQFD-UHFFFAOYSA-N 0 3 393.329 3.178 10 70 GGIEHN CCC[C@@H](C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)N(C)C ZINC000161503354 565286269 /nfs/dbraw/zinc/28/62/69/565286269.db2.gz BCYMHOAZNHCIPC-INIZCTEOSA-N 0 3 386.323 3.008 10 70 GGIEHN CCC[C@H](C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)N(C)C ZINC000161503467 565286901 /nfs/dbraw/zinc/28/69/01/565286901.db2.gz BCYMHOAZNHCIPC-MRXNPFEDSA-N 0 3 386.323 3.008 10 70 GGIEHN CCN1CCCN(C(=O)N[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000159739191 565217008 /nfs/dbraw/zinc/21/70/08/565217008.db2.gz GHCZSKJGPFFWGS-HNNXBMFYSA-N 0 3 382.302 3.010 10 70 GGIEHN O=C(NC[C@@H](O)CN1CCCCC1)c1cnc(-c2ccccc2Cl)s1 ZINC000160090685 565230142 /nfs/dbraw/zinc/23/01/42/565230142.db2.gz GMYPZWYHXVYRBG-CYBMUJFWSA-N 0 3 379.913 3.040 10 70 GGIEHN O=C(NC[C@H](O)CN1CCCCC1)c1csc(-c2ccccc2Cl)n1 ZINC000160142060 565233104 /nfs/dbraw/zinc/23/31/04/565233104.db2.gz GTHOFNZYEQOWFZ-ZDUSSCGKSA-N 0 3 379.913 3.040 10 70 GGIEHN O=C(NC[C@H](O)CN1CCCCC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000160248422 565237860 /nfs/dbraw/zinc/23/78/60/565237860.db2.gz BHJAMAJRYUSBND-HNNXBMFYSA-N 0 3 379.913 3.040 10 70 GGIEHN O=C(CCN1CCC(c2cc[nH]n2)CC1)Nc1ccc(Br)cc1 ZINC000160653104 565254138 /nfs/dbraw/zinc/25/41/38/565254138.db2.gz JUPLSVZULKJPBA-UHFFFAOYSA-N 0 3 377.286 3.380 10 70 GGIEHN O=C(Cc1csc(-c2ccc(Cl)s2)n1)NC[C@H](O)CN1CCCCC1 ZINC000160641909 565254298 /nfs/dbraw/zinc/25/42/98/565254298.db2.gz MQSFSTPSNTUXGK-ZDUSSCGKSA-N 0 3 399.969 3.031 10 70 GGIEHN CN(C)[C@@H]1CCN(C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)C1 ZINC000159821961 565219866 /nfs/dbraw/zinc/21/98/66/565219866.db2.gz ZZVGZJBSGHABFZ-GFCCVEGCSA-N 0 3 382.295 3.406 10 70 GGIEHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc(C2SCCCS2)cc1 ZINC000159999852 565226631 /nfs/dbraw/zinc/22/66/31/565226631.db2.gz YLWAYHMRJMZSKB-KRWDZBQOSA-N 0 3 380.579 3.132 10 70 GGIEHN O=C(NC[C@H](O)CN1CCCCC1)c1cnc(-c2ccccc2Cl)s1 ZINC000160090561 565230227 /nfs/dbraw/zinc/23/02/27/565230227.db2.gz GMYPZWYHXVYRBG-ZDUSSCGKSA-N 0 3 379.913 3.040 10 70 GGIEHN O=C(NC[C@H](O)CN1CCCCC1)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000160076767 565230337 /nfs/dbraw/zinc/23/03/37/565230337.db2.gz DCEYZRGOMXWAMT-HNNXBMFYSA-N 0 3 385.335 3.378 10 70 GGIEHN O=C(CCCOc1ccc(Cl)cc1Cl)NC[C@@H](O)CN1CCCCC1 ZINC000160105845 565231263 /nfs/dbraw/zinc/23/12/63/565231263.db2.gz PEHFGWPHTUJNGN-OAHLLOKOSA-N 0 3 389.323 3.115 10 70 GGIEHN O=C(CCCOc1cccc(Cl)c1Cl)NC[C@H](O)CN1CCCCC1 ZINC000160186343 565234589 /nfs/dbraw/zinc/23/45/89/565234589.db2.gz BHMCFYJLGLTLNW-AWEZNQCLSA-N 0 3 389.323 3.115 10 70 GGIEHN Cn1nccc1C1CCN(CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000160649449 565254665 /nfs/dbraw/zinc/25/46/65/565254665.db2.gz NKPHFSCWMFFWBP-UHFFFAOYSA-N 0 3 391.313 3.391 10 70 GGIEHN Cc1nc2ccc(Br)cc2c(N2CCS(=O)(=O)[C@H](C)C2)c1C ZINC000160731004 565258050 /nfs/dbraw/zinc/25/80/50/565258050.db2.gz PSBLCGABODNRJC-SNVBAGLBSA-N 0 3 383.311 3.237 10 70 GGIEHN CN(Cc1nc2cc(Br)ccc2[nH]1)CC(C)(C)CN1CCOCC1 ZINC000160991456 565268004 /nfs/dbraw/zinc/26/80/04/565268004.db2.gz CDGOUNAMKQMZAE-UHFFFAOYSA-N 0 3 395.345 3.116 10 70 GGIEHN CN(Cc1nc2ccc(Br)cc2[nH]1)CC(C)(C)CN1CCOCC1 ZINC000160991456 565268007 /nfs/dbraw/zinc/26/80/07/565268007.db2.gz CDGOUNAMKQMZAE-UHFFFAOYSA-N 0 3 395.345 3.116 10 70 GGIEHN C[C@@H](NCc1ccc(C(=O)NCC(N)=O)cc1)c1cc(Cl)cc(Cl)c1 ZINC000161027799 565268508 /nfs/dbraw/zinc/26/85/08/565268508.db2.gz UKCOPWZAQOAKIG-LLVKDONJSA-N 0 3 380.275 3.059 10 70 GGIEHN C[C@H](NCc1ccc(C(=O)NCC(N)=O)cc1)c1cc(Cl)cc(Cl)c1 ZINC000161027676 565268896 /nfs/dbraw/zinc/26/88/96/565268896.db2.gz UKCOPWZAQOAKIG-NSHDSACASA-N 0 3 380.275 3.059 10 70 GGIEHN COc1c(Br)c(C)sc1C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000161393613 565284225 /nfs/dbraw/zinc/28/42/25/565284225.db2.gz CLFPIGZHGZMRTP-ONGXEEELSA-N 0 3 375.332 3.286 10 70 GGIEHN Cc1nn(-c2ccc(Br)cc2)cc1CN1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000159528192 565209001 /nfs/dbraw/zinc/20/90/01/565209001.db2.gz ZBYXTUSANXAXOJ-JSGCOSHPSA-N 0 3 391.313 3.029 10 70 GGIEHN Cc1nn(-c2ccc(Br)cc2)cc1CN1C[C@H](C(N)=O)CC[C@@H]1C ZINC000159528056 565209543 /nfs/dbraw/zinc/20/95/43/565209543.db2.gz ZBYXTUSANXAXOJ-GXTWGEPZSA-N 0 3 391.313 3.029 10 70 GGIEHN CN(C)[C@H]1CCN(C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)C1 ZINC000159822090 565220554 /nfs/dbraw/zinc/22/05/54/565220554.db2.gz ZZVGZJBSGHABFZ-LBPRGKRZSA-N 0 3 382.295 3.406 10 70 GGIEHN O=C(NC[C@H](O)CN1CCCCC1)c1csc(-c2ccc(Cl)s2)n1 ZINC000160062576 565228886 /nfs/dbraw/zinc/22/88/86/565228886.db2.gz HVIUNQKKJXQFFH-NSHDSACASA-N 0 3 385.942 3.102 10 70 GGIEHN O=C(NC[C@@H](O)CN1CCCCC1)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000160076891 565229971 /nfs/dbraw/zinc/22/99/71/565229971.db2.gz DCEYZRGOMXWAMT-OAHLLOKOSA-N 0 3 385.335 3.378 10 70 GGIEHN O=C(CCCOc1ccc(Cl)cc1Cl)NC[C@H](O)CN1CCCCC1 ZINC000160105718 565231718 /nfs/dbraw/zinc/23/17/18/565231718.db2.gz PEHFGWPHTUJNGN-HNNXBMFYSA-N 0 3 389.323 3.115 10 70 GGIEHN CS(=O)(=O)c1csc(C(=O)Nc2cccc(CN3CCCCC3)c2)c1 ZINC000160184394 565234187 /nfs/dbraw/zinc/23/41/87/565234187.db2.gz PEUPVKOVPVVPIU-UHFFFAOYSA-N 0 3 378.519 3.390 10 70 GGIEHN O=C(NC[C@@H](O)CN1CCCCC1)c1csc(-c2cccc(Cl)c2)n1 ZINC000160355196 565241035 /nfs/dbraw/zinc/24/10/35/565241035.db2.gz CPRYEMKVTFJSBG-OAHLLOKOSA-N 0 3 379.913 3.040 10 70 GGIEHN O=C(NC[C@H](O)CN1CCCCC1)c1csc(-c2cccc(Cl)c2)n1 ZINC000160355061 565241780 /nfs/dbraw/zinc/24/17/80/565241780.db2.gz CPRYEMKVTFJSBG-HNNXBMFYSA-N 0 3 379.913 3.040 10 70 GGIEHN Cc1c2cc(Br)ccc2oc1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160598133 565253220 /nfs/dbraw/zinc/25/32/20/565253220.db2.gz BUKPALYKRIUTDB-AWEZNQCLSA-N 0 3 395.297 3.080 10 70 GGIEHN O=C(CCCc1cc(Cl)sc1Cl)NC[C@H](O)CN1CCCCC1 ZINC000160556667 565250836 /nfs/dbraw/zinc/25/08/36/565250836.db2.gz VQPJNGBNFOLHKK-ZDUSSCGKSA-N 0 3 379.353 3.341 10 70 GGIEHN Cc1nc2ccc(Br)cc2c(N2CCS(=O)(=O)[C@@H](C)C2)c1C ZINC000160731138 565258390 /nfs/dbraw/zinc/25/83/90/565258390.db2.gz PSBLCGABODNRJC-JTQLQIEISA-N 0 3 383.311 3.237 10 70 GGIEHN Cc1ccc(I)c(C(=O)N[C@@H](CC(C)C)CN(C)C)c1 ZINC000161229190 565277575 /nfs/dbraw/zinc/27/75/75/565277575.db2.gz UGGHLYXQIGVIMI-ZDUSSCGKSA-N 0 3 388.293 3.306 10 70 GGIEHN Cc1ccc(I)c(C(=O)N[C@H](CC(C)C)CN(C)C)c1 ZINC000161229331 565277980 /nfs/dbraw/zinc/27/79/80/565277980.db2.gz UGGHLYXQIGVIMI-CYBMUJFWSA-N 0 3 388.293 3.306 10 70 GGIEHN O=C(NC[C@H](O)CN1CCCCC1)Nc1ccc(Br)c(Cl)c1 ZINC000161289052 565280206 /nfs/dbraw/zinc/28/02/06/565280206.db2.gz TXDFWYHPQLWCIE-LBPRGKRZSA-N 0 3 390.709 3.071 10 70 GGIEHN