smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1csc(C[N@H+](Cc2csc(C3CC3)n2)C2CC2)c1 ZINC000161368574 261245571 /nfs/dbraw/zinc/24/55/71/261245571.db2.gz LXTHFOXZPRRBND-UHFFFAOYSA-N 1 2 290.457 4.247 20 70 CIIDLO c1csc(C[N@@H+](Cc2csc(C3CC3)n2)C2CC2)c1 ZINC000161368574 261245572 /nfs/dbraw/zinc/24/55/72/261245572.db2.gz LXTHFOXZPRRBND-UHFFFAOYSA-N 1 2 290.457 4.247 20 70 CIIDLO CC(C)c1nc(N[C@@H]2CCCc3sccc32)cc[nH+]1 ZINC000161071433 264265709 /nfs/dbraw/zinc/26/57/09/264265709.db2.gz KFTIWXTVDVAWSV-GFCCVEGCSA-N 1 2 273.405 4.151 20 70 CIIDLO C[N@H+](Cc1cnc(C2CC2)s1)Cc1ccccc1Cl ZINC000160824645 328088489 /nfs/dbraw/zinc/08/84/89/328088489.db2.gz LXWKBGZLHBCBMM-UHFFFAOYSA-N 1 2 292.835 4.306 20 70 CIIDLO C[N@@H+](Cc1cnc(C2CC2)s1)Cc1ccccc1Cl ZINC000160824645 328088490 /nfs/dbraw/zinc/08/84/90/328088490.db2.gz LXWKBGZLHBCBMM-UHFFFAOYSA-N 1 2 292.835 4.306 20 70 CIIDLO Cc1ccc(C[N@@H+](C)Cc2nc(-c3ccccc3)cs2)o1 ZINC000160858444 328089155 /nfs/dbraw/zinc/08/91/55/328089155.db2.gz YFGKLMBBLRCRQQ-UHFFFAOYSA-N 1 2 298.411 4.344 20 70 CIIDLO Cc1ccc(C[N@H+](C)Cc2nc(-c3ccccc3)cs2)o1 ZINC000160858444 328089156 /nfs/dbraw/zinc/08/91/56/328089156.db2.gz YFGKLMBBLRCRQQ-UHFFFAOYSA-N 1 2 298.411 4.344 20 70 CIIDLO Fc1ccc(SCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000217765885 329065162 /nfs/dbraw/zinc/06/51/62/329065162.db2.gz CHSOGXKGKOXYPH-UHFFFAOYSA-N 1 2 284.359 4.304 20 70 CIIDLO Cc1cc(N[C@H]2CCOC(C)(C)C2)c2cccc(F)c2[nH+]1 ZINC000160688990 264254652 /nfs/dbraw/zinc/25/46/52/264254652.db2.gz SYJALDPWPFIQET-LBPRGKRZSA-N 1 2 288.366 4.052 20 70 CIIDLO Cc1ccc(C[N@@H+](C)Cc2cnc(C3CCCC3)s2)o1 ZINC000160849904 328088638 /nfs/dbraw/zinc/08/86/38/328088638.db2.gz TZPKEHPITYPMRL-UHFFFAOYSA-N 1 2 290.432 4.334 20 70 CIIDLO Cc1ccc(C[N@H+](C)Cc2cnc(C3CCCC3)s2)o1 ZINC000160849904 328088639 /nfs/dbraw/zinc/08/86/39/328088639.db2.gz TZPKEHPITYPMRL-UHFFFAOYSA-N 1 2 290.432 4.334 20 70 CIIDLO CC[C@@H]([NH2+][C@H](C)c1nccs1)c1ccc(F)cc1F ZINC000160894737 261229871 /nfs/dbraw/zinc/22/98/71/261229871.db2.gz DDMXXQZVPPYLHZ-NOZJJQNGSA-N 1 2 282.359 4.223 20 70 CIIDLO Fc1ccccc1SCc1ccc(-n2cc[nH+]c2)cc1 ZINC000217768568 329065096 /nfs/dbraw/zinc/06/50/96/329065096.db2.gz VJZCUZSZDYJSQP-UHFFFAOYSA-N 1 2 284.359 4.304 20 70 CIIDLO c1sc(C2CC2)nc1C[N@H+](Cc1ccccc1)C1CC1 ZINC000161353383 526629873 /nfs/dbraw/zinc/62/98/73/526629873.db2.gz NPXFSAFWWJFUJS-UHFFFAOYSA-N 1 2 284.428 4.185 20 70 CIIDLO c1sc(C2CC2)nc1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000161353383 526629878 /nfs/dbraw/zinc/62/98/78/526629878.db2.gz NPXFSAFWWJFUJS-UHFFFAOYSA-N 1 2 284.428 4.185 20 70 CIIDLO C[C@@H](c1cccs1)[N@H+](C)Cc1csc(C2CC2)n1 ZINC000161418088 261246610 /nfs/dbraw/zinc/24/66/10/261246610.db2.gz BAWVORSOHBRLOG-JTQLQIEISA-N 1 2 278.446 4.275 20 70 CIIDLO C[C@@H](c1cccs1)[N@@H+](C)Cc1csc(C2CC2)n1 ZINC000161418088 261246611 /nfs/dbraw/zinc/24/66/11/261246611.db2.gz BAWVORSOHBRLOG-JTQLQIEISA-N 1 2 278.446 4.275 20 70 CIIDLO C[C@H](c1cccs1)[N@H+](C)Cc1csc(C2CC2)n1 ZINC000161418203 261246494 /nfs/dbraw/zinc/24/64/94/261246494.db2.gz BAWVORSOHBRLOG-SNVBAGLBSA-N 1 2 278.446 4.275 20 70 CIIDLO C[C@H](c1cccs1)[N@@H+](C)Cc1csc(C2CC2)n1 ZINC000161418203 261246497 /nfs/dbraw/zinc/24/64/97/261246497.db2.gz BAWVORSOHBRLOG-SNVBAGLBSA-N 1 2 278.446 4.275 20 70 CIIDLO CC[C@H]([NH2+][C@H](C)c1nccs1)c1ccc(F)cc1F ZINC000160894606 261230154 /nfs/dbraw/zinc/23/01/54/261230154.db2.gz DDMXXQZVPPYLHZ-RNCFNFMXSA-N 1 2 282.359 4.223 20 70 CIIDLO CC(C)c1nc(N[C@H]2CCCc3sccc32)cc[nH+]1 ZINC000161071553 264265680 /nfs/dbraw/zinc/26/56/80/264265680.db2.gz KFTIWXTVDVAWSV-LBPRGKRZSA-N 1 2 273.405 4.151 20 70 CIIDLO CCC[C@@H]([NH2+]Cc1nc(C(C)C)cs1)c1ccccn1 ZINC000159389989 327176733 /nfs/dbraw/zinc/17/67/33/327176733.db2.gz YCCWAHZNRPCDET-CYBMUJFWSA-N 1 2 289.448 4.293 20 70 CIIDLO Cc1cc(N[C@@H]2CCOC(C)(C)C2)c2cccc(F)c2[nH+]1 ZINC000160688867 264254973 /nfs/dbraw/zinc/25/49/73/264254973.db2.gz SYJALDPWPFIQET-GFCCVEGCSA-N 1 2 288.366 4.052 20 70 CIIDLO Cc1nc(C)c(C[N@@H+](C)[C@@H](C)c2cc(F)ccc2F)s1 ZINC000159365815 327174794 /nfs/dbraw/zinc/17/47/94/327174794.db2.gz JOPZGPFAPIFOPY-JTQLQIEISA-N 1 2 296.386 4.231 20 70 CIIDLO Cc1nc(C)c(C[N@H+](C)[C@@H](C)c2cc(F)ccc2F)s1 ZINC000159365815 327174795 /nfs/dbraw/zinc/17/47/95/327174795.db2.gz JOPZGPFAPIFOPY-JTQLQIEISA-N 1 2 296.386 4.231 20 70 CIIDLO Cc1nc(C)c(C[N@@H+](C)[C@H](C)c2cc(F)ccc2F)s1 ZINC000159365967 327174635 /nfs/dbraw/zinc/17/46/35/327174635.db2.gz JOPZGPFAPIFOPY-SNVBAGLBSA-N 1 2 296.386 4.231 20 70 CIIDLO Cc1nc(C)c(C[N@H+](C)[C@H](C)c2cc(F)ccc2F)s1 ZINC000159365967 327174636 /nfs/dbraw/zinc/17/46/36/327174636.db2.gz JOPZGPFAPIFOPY-SNVBAGLBSA-N 1 2 296.386 4.231 20 70 CIIDLO CCC[C@H]([NH2+]Cc1nc(C(C)C)cs1)c1ccccn1 ZINC000159389858 327176721 /nfs/dbraw/zinc/17/67/21/327176721.db2.gz YCCWAHZNRPCDET-ZDUSSCGKSA-N 1 2 289.448 4.293 20 70 CIIDLO Cc1cc(C[NH2+]C(C)(C)c2ccc(Cl)c(Cl)c2)no1 ZINC000161450749 329934776 /nfs/dbraw/zinc/93/47/76/329934776.db2.gz ATRUXQOZRLOOGC-UHFFFAOYSA-N 1 2 299.201 4.315 20 70 CIIDLO C[N@H+](Cc1cncs1)Cc1cccc(Cl)c1Cl ZINC000160749747 261225172 /nfs/dbraw/zinc/22/51/72/261225172.db2.gz DAOXQLHPPDDHCO-UHFFFAOYSA-N 1 2 287.215 4.082 20 70 CIIDLO C[N@@H+](Cc1cncs1)Cc1cccc(Cl)c1Cl ZINC000160749747 261225174 /nfs/dbraw/zinc/22/51/74/261225174.db2.gz DAOXQLHPPDDHCO-UHFFFAOYSA-N 1 2 287.215 4.082 20 70 CIIDLO CC[C@@H](CC(=O)Nc1cc[nH+]cc1C)c1ccc(C)cc1 ZINC000159387672 327176483 /nfs/dbraw/zinc/17/64/83/327176483.db2.gz CPPWTVHXDSKSON-HNNXBMFYSA-N 1 2 282.387 4.221 20 70 CIIDLO CC[C@H]([NH2+][C@@H](C)c1nccs1)c1ccc(F)cc1F ZINC000160894349 261230491 /nfs/dbraw/zinc/23/04/91/261230491.db2.gz DDMXXQZVPPYLHZ-ZANVPECISA-N 1 2 282.359 4.223 20 70 CIIDLO CC[C@@H]([NH2+][C@@H](C)c1nccs1)c1ccc(F)cc1F ZINC000160894476 261230530 /nfs/dbraw/zinc/23/05/30/261230530.db2.gz DDMXXQZVPPYLHZ-TVQRCGJNSA-N 1 2 282.359 4.223 20 70 CIIDLO C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1csc(C2CC2)n1 ZINC000161321874 261244541 /nfs/dbraw/zinc/24/45/41/261244541.db2.gz YMJMDBUNICHUPY-NSHDSACASA-N 1 2 290.407 4.353 20 70 CIIDLO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1csc(C2CC2)n1 ZINC000161321874 261244542 /nfs/dbraw/zinc/24/45/42/261244542.db2.gz YMJMDBUNICHUPY-NSHDSACASA-N 1 2 290.407 4.353 20 70 CIIDLO CC[C@H](CC(=O)Nc1cc[nH+]cc1C)c1ccc(C)cc1 ZINC000159387789 327176572 /nfs/dbraw/zinc/17/65/72/327176572.db2.gz CPPWTVHXDSKSON-OAHLLOKOSA-N 1 2 282.387 4.221 20 70 CIIDLO Cc1[nH+]c2ccccn2c1CNc1cc(C)ccc1Cl ZINC000218132488 333127307 /nfs/dbraw/zinc/12/73/07/333127307.db2.gz VRRTTYIBGPOTIT-UHFFFAOYSA-N 1 2 285.778 4.217 20 70 CIIDLO C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1csc(C2CC2)n1 ZINC000161322002 261244418 /nfs/dbraw/zinc/24/44/18/261244418.db2.gz YMJMDBUNICHUPY-LLVKDONJSA-N 1 2 290.407 4.353 20 70 CIIDLO C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1csc(C2CC2)n1 ZINC000161322002 261244419 /nfs/dbraw/zinc/24/44/19/261244419.db2.gz YMJMDBUNICHUPY-LLVKDONJSA-N 1 2 290.407 4.353 20 70 CIIDLO C[C@@H](c1ccccc1F)[N@H+](C)Cc1csc(C2CC2)n1 ZINC000161426279 261246974 /nfs/dbraw/zinc/24/69/74/261246974.db2.gz HYIMFPODKSHNHX-NSHDSACASA-N 1 2 290.407 4.353 20 70 CIIDLO C[C@@H](c1ccccc1F)[N@@H+](C)Cc1csc(C2CC2)n1 ZINC000161426279 261246976 /nfs/dbraw/zinc/24/69/76/261246976.db2.gz HYIMFPODKSHNHX-NSHDSACASA-N 1 2 290.407 4.353 20 70 CIIDLO C[C@H](c1ccccc1F)[N@H+](C)Cc1csc(C2CC2)n1 ZINC000161426468 261247061 /nfs/dbraw/zinc/24/70/61/261247061.db2.gz HYIMFPODKSHNHX-LLVKDONJSA-N 1 2 290.407 4.353 20 70 CIIDLO C[C@H](c1ccccc1F)[N@@H+](C)Cc1csc(C2CC2)n1 ZINC000161426468 261247062 /nfs/dbraw/zinc/24/70/62/261247062.db2.gz HYIMFPODKSHNHX-LLVKDONJSA-N 1 2 290.407 4.353 20 70 CIIDLO COc1ccc(SCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000217779346 329065191 /nfs/dbraw/zinc/06/51/91/329065191.db2.gz XCXZDBSBZKCIMU-UHFFFAOYSA-N 1 2 296.395 4.173 20 70 CIIDLO