smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+]1CCC[C@H](C(=O)N2CC(=O)Nc3ccccc32)C1 ZINC000216909853 262341970 /nfs/dbraw/zinc/34/19/70/262341970.db2.gz ZHEPTZGPBWQTEF-NSHDSACASA-N 1 0 273.336 1.314 40 70 CDIBRO COC(=O)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000216900188 358968843 /nfs/dbraw/zinc/96/88/43/358968843.db2.gz FQMGUUCREYTCMI-UHFFFAOYSA-N 1 0 282.384 1.130 40 70 CDIBRO COc1cccc(C(=O)N2CCC(C(N)=[NH2+])CC2)c1 ZINC000217356392 358995992 /nfs/dbraw/zinc/99/59/92/358995992.db2.gz NBUJWOCUXQPMCU-UHFFFAOYSA-N 1 0 261.325 1.483 40 70 CDIBRO C[NH+]1CCC(NS(=O)(=O)Cc2ccccc2F)CC1 ZINC000216948746 358971733 /nfs/dbraw/zinc/97/17/33/358971733.db2.gz ADGGOLALSHXDCY-UHFFFAOYSA-N 1 0 286.372 1.339 40 70 CDIBRO COc1ccc(C(=O)N2CCC(C(N)=[NH2+])CC2)cc1 ZINC000217356179 358996512 /nfs/dbraw/zinc/99/65/12/358996512.db2.gz QDTKJISXGHLGFB-UHFFFAOYSA-N 1 0 261.325 1.483 40 70 CDIBRO COc1cccc(C(=O)N2CCC[C@H](C(N)=[NH2+])C2)c1 ZINC000217359386 358996097 /nfs/dbraw/zinc/99/60/97/358996097.db2.gz VSJGPZACNHUJBV-NSHDSACASA-N 1 0 261.325 1.483 40 70 CDIBRO [NH3+]C[C@H]1CCCN1C(=O)Cc1ccccc1Br ZINC000217256702 360848466 /nfs/dbraw/zinc/84/84/66/360848466.db2.gz DZJJLKWVEYZYRQ-LLVKDONJSA-N 1 0 297.196 1.941 40 70 CDIBRO COc1ccc(-c2nc3c(c(=O)[nH]2)C[N@H+](C)CC3)cc1 ZINC000216845532 262341046 /nfs/dbraw/zinc/34/10/46/262341046.db2.gz HDPDRLKQYMHLHY-UHFFFAOYSA-N 1 0 271.320 1.433 40 70 CDIBRO COC(=O)c1cc2c(ncnc2N2CC[NH+](C)CC2)s1 ZINC000216844786 262341273 /nfs/dbraw/zinc/34/12/73/262341273.db2.gz FOEMNGCNEPGNQA-UHFFFAOYSA-N 1 0 292.364 1.230 40 70 CDIBRO CCS(=O)(=O)N(CC(N)=[NH2+])c1ccc(C)cc1 ZINC000217348618 358995446 /nfs/dbraw/zinc/99/54/46/358995446.db2.gz GAOMAVDUSHFNDL-UHFFFAOYSA-N 1 0 255.343 1.087 40 70 CDIBRO CC1CCN(C(=O)COc2ccc(C(N)=[NH2+])cc2)CC1 ZINC000217686614 359019463 /nfs/dbraw/zinc/01/94/63/359019463.db2.gz FTCZDYNITIVNJY-UHFFFAOYSA-N 1 0 275.352 1.608 40 70 CDIBRO COc1ccc(C(=O)N2CCC[C@@H](C(N)=[NH2+])C2)cc1 ZINC000217359136 189708885 /nfs/dbraw/zinc/70/88/85/189708885.db2.gz WBBVYPRZLKAZAK-LLVKDONJSA-N 1 0 261.325 1.483 40 70 CDIBRO Cc1nc(Cc2ccc(Cl)cc2)[nH]c(=O)c1C[NH3+] ZINC000217009059 358974686 /nfs/dbraw/zinc/97/46/86/358974686.db2.gz RBRJCUSNPOLJDT-UHFFFAOYSA-N 1 0 263.728 1.781 40 70 CDIBRO COc1ccccc1C(=O)N1CCC(C(N)=[NH2+])CC1 ZINC000217356283 358996113 /nfs/dbraw/zinc/99/61/13/358996113.db2.gz SFIHHXTZUWFTRY-UHFFFAOYSA-N 1 0 261.325 1.483 40 70 CDIBRO COc1ccc(C(=O)N2CCC[C@@H](C(N)=[NH2+])C2)cc1OC ZINC000217359669 189709038 /nfs/dbraw/zinc/70/90/38/189709038.db2.gz BTVWOMAFMCABTG-LLVKDONJSA-N 1 0 291.351 1.492 40 70 CDIBRO NC(=[NH2+])c1ccc(OCC(=O)N2CCCCC2)cc1 ZINC000217688524 359018670 /nfs/dbraw/zinc/01/86/70/359018670.db2.gz FIHUZJICADEJDC-UHFFFAOYSA-N 1 0 261.325 1.362 40 70 CDIBRO CN(C(=O)[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCCC[C@H]1O ZINC000216916259 358969509 /nfs/dbraw/zinc/96/95/09/358969509.db2.gz YPZYOJQRXYLPDC-JHJVBQTASA-N 1 0 254.374 1.090 40 70 CDIBRO C[N@@H+]1CCC[C@H](C(=O)NCCSC(C)(C)C)C1 ZINC000216907390 358968815 /nfs/dbraw/zinc/96/88/15/358968815.db2.gz XHZNQQKQSNJYNK-NSHDSACASA-N 1 0 258.431 1.976 40 70 CDIBRO Cc1ccnc(N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000160479327 369853509 /nfs/dbraw/zinc/85/35/09/369853509.db2.gz WTYYIPVLLQOVJH-ZNMIVQPWSA-N 1 0 290.411 1.863 40 70 CDIBRO C[C@@H]1C[NH+](C[C@@H]2CCCN2c2ncccn2)C[C@@H](C)O1 ZINC000160462868 274350434 /nfs/dbraw/zinc/35/04/34/274350434.db2.gz DOGPHANFVICORJ-MCIONIFRSA-N 1 0 276.384 1.555 40 70 CDIBRO C[NH+]1CCC(C(=O)NCCSCc2ccco2)CC1 ZINC000216920077 530047984 /nfs/dbraw/zinc/04/79/84/530047984.db2.gz LPRPKUYOUQRLLZ-UHFFFAOYSA-N 1 0 282.409 1.971 40 70 CDIBRO COC(=O)c1ccc(Cn2cc(NC3=NCCC3)cn2)o1 ZINC000217805523 333124236 /nfs/dbraw/zinc/12/42/36/333124236.db2.gz HWIJFXBIJUQDBW-UHFFFAOYSA-N 1 0 288.307 1.915 40 70 CDIBRO COc1ccc(CN(C)C(=O)C2CC[NH+](C)CC2)cc1 ZINC000216921409 533520487 /nfs/dbraw/zinc/52/04/87/533520487.db2.gz RAHBCTXWEZZSIX-UHFFFAOYSA-N 1 0 276.380 1.995 40 70 CDIBRO COc1ccccc1CN(C)C(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000216916194 358969146 /nfs/dbraw/zinc/96/91/46/358969146.db2.gz NRGNCXAYGXUMCM-CQSZACIVSA-N 1 0 276.380 1.995 40 70 CDIBRO CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCCC[C@H]1O ZINC000216923428 358970192 /nfs/dbraw/zinc/97/01/92/358970192.db2.gz DDAOKWHYNHFATC-CHWSQXEVSA-N 1 0 254.374 1.090 40 70 CDIBRO COc1ccc(CN(C)C(=O)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000216910946 262341669 /nfs/dbraw/zinc/34/16/69/262341669.db2.gz HBDLMHUNRWHJKO-AWEZNQCLSA-N 1 0 276.380 1.995 40 70 CDIBRO Cc1ccc(C(=O)CCN2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000159468268 359967190 /nfs/dbraw/zinc/96/71/90/359967190.db2.gz PVLVDIAOUJNAOT-MRXNPFEDSA-N 1 0 290.407 1.830 40 70 CDIBRO CCS(=O)(=O)N(CC(N)=[NH2+])c1ccccc1C ZINC000217348847 358995284 /nfs/dbraw/zinc/99/52/84/358995284.db2.gz YEMWACAPAJTRPY-UHFFFAOYSA-N 1 0 255.343 1.087 40 70 CDIBRO COc1cccc(C(=O)N2CCC[C@@H](C(N)=[NH2+])C2)c1 ZINC000217359312 358996375 /nfs/dbraw/zinc/99/63/75/358996375.db2.gz VSJGPZACNHUJBV-LLVKDONJSA-N 1 0 261.325 1.483 40 70 CDIBRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2c2ncccn2)C[C@H](C)O1 ZINC000160462622 391055912 /nfs/dbraw/zinc/05/59/12/391055912.db2.gz DOGPHANFVICORJ-MJBXVCDLSA-N 1 0 276.384 1.555 40 70 CDIBRO C[NH+]1CCC(Oc2ccc(CNS(C)(=O)=O)cc2)CC1 ZINC000216941060 189707285 /nfs/dbraw/zinc/70/72/85/189707285.db2.gz GVLLAIBLECRCDR-UHFFFAOYSA-N 1 0 298.408 1.209 40 70 CDIBRO Cc1cc(N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ncn1 ZINC000160479061 390941202 /nfs/dbraw/zinc/94/12/02/390941202.db2.gz UGOIEYRKZQPEMU-ZNMIVQPWSA-N 1 0 290.411 1.863 40 70 CDIBRO COc1ccccc1C(=O)N1CCC[C@@H](C(N)=[NH2+])C1 ZINC000217359495 358996304 /nfs/dbraw/zinc/99/63/04/358996304.db2.gz KWHSMXUSZJMPSY-SNVBAGLBSA-N 1 0 261.325 1.483 40 70 CDIBRO COc1cccc(-c2nc3c(c(=O)[nH]2)C[N@H+](C)CC3)c1 ZINC000216845574 262341149 /nfs/dbraw/zinc/34/11/49/262341149.db2.gz MQCPLUNCFORJIL-UHFFFAOYSA-N 1 0 271.320 1.433 40 70 CDIBRO C[N@@H+]1CCc2nc(-c3ccccc3F)[nH]c(=O)c2C1 ZINC000216845493 262341220 /nfs/dbraw/zinc/34/12/20/262341220.db2.gz SJTWOCHSPHNGNL-UHFFFAOYSA-N 1 0 259.284 1.564 40 70 CDIBRO CC(C)CN(CC(N)=[NH2+])S(=O)(=O)c1ccccc1 ZINC000217350272 358995427 /nfs/dbraw/zinc/99/54/27/358995427.db2.gz VVTGOSSRNJNWOP-UHFFFAOYSA-N 1 0 269.370 1.269 40 70 CDIBRO CS(=O)(=O)N(CC(N)=[NH2+])c1cccc(C(F)(F)F)c1 ZINC000217350144 358995304 /nfs/dbraw/zinc/99/53/04/358995304.db2.gz XGGKERKEPWNUGG-UHFFFAOYSA-N 1 0 295.286 1.407 40 70 CDIBRO CN(C)C(=O)OCC[NH+]1CCC(C2CCOCC2)CC1 ZINC000159482629 345071522 /nfs/dbraw/zinc/07/15/22/345071522.db2.gz YOKZQJWYHOIVKY-UHFFFAOYSA-N 1 0 284.400 1.823 40 70 CDIBRO COc1ccccc1C(=O)N1CCC[C@H](C(N)=[NH2+])C1 ZINC000217359558 358995997 /nfs/dbraw/zinc/99/59/97/358995997.db2.gz KWHSMXUSZJMPSY-JTQLQIEISA-N 1 0 261.325 1.483 40 70 CDIBRO CC(C)CN(CC(N)=[NH2+])S(=O)(=O)c1ccc(F)cc1 ZINC000217351732 358994781 /nfs/dbraw/zinc/99/47/81/358994781.db2.gz MSVWNIQLXUHZQR-UHFFFAOYSA-N 1 0 287.360 1.408 40 70 CDIBRO CS(=O)(=O)N(CC(N)=[NH2+])c1ccc(C(F)(F)F)cc1 ZINC000217347728 286604058 /nfs/dbraw/zinc/60/40/58/286604058.db2.gz YKWNCPQLYPOXKY-UHFFFAOYSA-N 1 0 295.286 1.407 40 70 CDIBRO C[N@@H+]1CCc2nc(Cc3ccccc3)[nH]c(=O)c2C1 ZINC000216845247 262341082 /nfs/dbraw/zinc/34/10/82/262341082.db2.gz UJXXOGFUKSQLOU-UHFFFAOYSA-N 1 0 255.321 1.349 40 70 CDIBRO C[NH+]1CCC(C(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000216920966 273867855 /nfs/dbraw/zinc/86/78/55/273867855.db2.gz XKXHAKQIKANZRB-UHFFFAOYSA-N 1 0 273.336 1.314 40 70 CDIBRO C[N@@H+]1CCC[C@@H](C(=O)NCCSCc2ccco2)C1 ZINC000216907283 358968327 /nfs/dbraw/zinc/96/83/27/358968327.db2.gz YSKPYNSERQMQPR-GFCCVEGCSA-N 1 0 282.409 1.971 40 70 CDIBRO CCS(=O)(=O)N(CC(N)=[NH2+])c1ccccc1Cl ZINC000217349502 189709134 /nfs/dbraw/zinc/70/91/34/189709134.db2.gz YEAOBAOEMQPDIZ-UHFFFAOYSA-N 1 0 275.761 1.432 40 70 CDIBRO CS(=O)(=O)N(CC(N)=[NH2+])c1ccccc1Cl ZINC000217348080 358994925 /nfs/dbraw/zinc/99/49/25/358994925.db2.gz CRLGHPZGVGIDEB-UHFFFAOYSA-N 1 0 261.734 1.042 40 70 CDIBRO C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2C(N)=O)C1 ZINC000216910998 262341674 /nfs/dbraw/zinc/34/16/74/262341674.db2.gz ZHBZMVLPALFFSE-SNVBAGLBSA-N 1 0 261.325 1.066 40 70 CDIBRO CN(C(=O)[C@H]1CCC[N@H+](C)C1)[C@@H]1CCCC[C@H]1O ZINC000216916284 358969186 /nfs/dbraw/zinc/96/91/86/358969186.db2.gz YPZYOJQRXYLPDC-YNEHKIRRSA-N 1 0 254.374 1.090 40 70 CDIBRO Cc1ccc(S(=O)(=O)N(CC(N)=[NH2+])C2CC2)cc1 ZINC000217350805 189709072 /nfs/dbraw/zinc/70/90/72/189709072.db2.gz ZRHAIDNYBUEFQZ-UHFFFAOYSA-N 1 0 267.354 1.084 40 70 CDIBRO Cc1ccnc(N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000160479207 369853312 /nfs/dbraw/zinc/85/33/12/369853312.db2.gz WTYYIPVLLQOVJH-QLFBSQMISA-N 1 0 290.411 1.863 40 70 CDIBRO C[NH+]1CCC(CC(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000216896263 189706748 /nfs/dbraw/zinc/70/67/48/189706748.db2.gz UNWQELBSRZICBP-UHFFFAOYSA-N 1 0 287.363 1.704 40 70 CDIBRO NC(=[NH2+])CN(C1CCCCC1)S(=O)(=O)c1ccccc1 ZINC000217350494 358994930 /nfs/dbraw/zinc/99/49/30/358994930.db2.gz AHOILWOIDJODEP-UHFFFAOYSA-N 1 0 295.408 1.946 40 70 CDIBRO CN(CCC1CCOCC1)C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000161403198 373521374 /nfs/dbraw/zinc/52/13/74/373521374.db2.gz HOJXUQFRKGQIRV-MRXNPFEDSA-N 1 0 290.407 1.832 40 70 CDIBRO CC(C)OCCCNC(=O)CC1CC[NH+](C)CC1 ZINC000216895283 358967937 /nfs/dbraw/zinc/96/79/37/358967937.db2.gz QDANJDDSLSAIAI-UHFFFAOYSA-N 1 0 256.390 1.650 40 70 CDIBRO CN(CCC1CCOCC1)C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000161402369 188525258 /nfs/dbraw/zinc/52/52/58/188525258.db2.gz HOJXUQFRKGQIRV-INIZCTEOSA-N 1 0 290.407 1.832 40 70 CDIBRO COc1ccc(CN(C)C(=O)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000216910925 262341852 /nfs/dbraw/zinc/34/18/52/262341852.db2.gz HBDLMHUNRWHJKO-CQSZACIVSA-N 1 0 276.380 1.995 40 70 CDIBRO C[NH+]1CCC(C(=O)NCCSC(C)(C)C)CC1 ZINC000216920110 358970210 /nfs/dbraw/zinc/97/02/10/358970210.db2.gz SFUWTQRIHZPSOZ-UHFFFAOYSA-N 1 0 258.431 1.976 40 70 CDIBRO C[C@H]1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C[C@@H]1O ZINC000161400001 342406806 /nfs/dbraw/zinc/40/68/06/342406806.db2.gz DTGBUCMTQHLTFP-ZFWWWQNUSA-N 1 0 296.455 1.974 40 70 CDIBRO CS(=O)(=O)N(CC(N)=[NH2+])Cc1ccc(Cl)cc1 ZINC000217757878 327925501 /nfs/dbraw/zinc/92/55/01/327925501.db2.gz AUEHLYISKLIMCV-UHFFFAOYSA-N 1 0 275.761 1.038 40 70 CDIBRO COc1ccccc1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC000216923394 358970692 /nfs/dbraw/zinc/97/06/92/358970692.db2.gz XCVMFHNGMSYISP-UHFFFAOYSA-N 1 0 276.380 1.995 40 70 CDIBRO [NH3+]C[C@@H]1CCCN1C(=O)Cc1ccccc1Br ZINC000217256704 360842051 /nfs/dbraw/zinc/84/20/51/360842051.db2.gz DZJJLKWVEYZYRQ-NSHDSACASA-N 1 0 297.196 1.941 40 70 CDIBRO CC(C)(C)c1nsc(N2CCC([NH2+]CCO)CC2)n1 ZINC000160150842 188457014 /nfs/dbraw/zinc/45/70/14/188457014.db2.gz MHHPWNQEBZAQNS-UHFFFAOYSA-N 1 0 284.429 1.386 40 70 CDIBRO C[NH+]1CCC(CC(=O)NCCCn2ccnc2)CC1 ZINC000216897651 358967947 /nfs/dbraw/zinc/96/79/47/358967947.db2.gz MAQRNLZOAOGYOV-UHFFFAOYSA-N 1 0 264.373 1.121 40 70 CDIBRO CCS(=O)(=O)N(CC(N)=[NH2+])c1cccc(Cl)c1 ZINC000217349405 358995027 /nfs/dbraw/zinc/99/50/27/358995027.db2.gz ASMWNEBDLYFVII-UHFFFAOYSA-N 1 0 275.761 1.432 40 70 CDIBRO CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000161177892 367478994 /nfs/dbraw/zinc/47/89/94/367478994.db2.gz PUWPONPSXPYXNB-MGPQQGTHSA-N 1 0 282.428 1.944 40 70 CDIBRO C[N@@H+]1CCC[C@@H](C(=O)N2CC(=O)Nc3ccccc32)C1 ZINC000216909824 262341638 /nfs/dbraw/zinc/34/16/38/262341638.db2.gz ZHEPTZGPBWQTEF-LLVKDONJSA-N 1 0 273.336 1.314 40 70 CDIBRO COc1ccc(C(=O)N2CCC[C@H](C(N)=[NH2+])C2)cc1 ZINC000217359213 189709077 /nfs/dbraw/zinc/70/90/77/189709077.db2.gz WBBVYPRZLKAZAK-NSHDSACASA-N 1 0 261.325 1.483 40 70 CDIBRO COc1ccccc1CN(C)C(=O)[C@H]1CCC[N@H+](C)C1 ZINC000216916224 358969356 /nfs/dbraw/zinc/96/93/56/358969356.db2.gz NRGNCXAYGXUMCM-AWEZNQCLSA-N 1 0 276.380 1.995 40 70 CDIBRO C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2C(N)=O)C1 ZINC000216911036 262341827 /nfs/dbraw/zinc/34/18/27/262341827.db2.gz ZHBZMVLPALFFSE-JTQLQIEISA-N 1 0 261.325 1.066 40 70 CDIBRO C[C@@H]1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C[C@@H]1O ZINC000161399869 342406815 /nfs/dbraw/zinc/40/68/15/342406815.db2.gz DTGBUCMTQHLTFP-HIFRSBDPSA-N 1 0 296.455 1.974 40 70 CDIBRO COc1ccc(C(=O)N2CCC(C(N)=[NH2+])CC2)cc1OC ZINC000217356485 358996262 /nfs/dbraw/zinc/99/62/62/358996262.db2.gz VAPMZLXFDCSNPT-UHFFFAOYSA-N 1 0 291.351 1.492 40 70 CDIBRO Cc1ccc(C(=O)CCN2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000159468408 359966782 /nfs/dbraw/zinc/96/67/82/359966782.db2.gz PVLVDIAOUJNAOT-INIZCTEOSA-N 1 0 290.407 1.830 40 70 CDIBRO CS(=O)(=O)N(CC(N)=[NH2+])c1ccc(Cl)cc1 ZINC000217347866 278108457 /nfs/dbraw/zinc/10/84/57/278108457.db2.gz DAGZSWNSZHRPKG-UHFFFAOYSA-N 1 0 261.734 1.042 40 70 CDIBRO CN(CCNC(=O)[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000216913700 529916140 /nfs/dbraw/zinc/91/61/40/529916140.db2.gz RJCOVOAORFDHRL-CQSZACIVSA-N 1 0 275.396 1.581 40 70 CDIBRO CCS(=O)(=O)N(CC(N)=[NH2+])c1cccc(C)c1 ZINC000217348747 358994871 /nfs/dbraw/zinc/99/48/71/358994871.db2.gz KIEQRFXAZYHHJF-UHFFFAOYSA-N 1 0 255.343 1.087 40 70 CDIBRO CN(CCNC(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC000216900586 358968144 /nfs/dbraw/zinc/96/81/44/358968144.db2.gz FEFGMVWSDMVIIR-UHFFFAOYSA-N 1 0 289.423 1.971 40 70 CDIBRO CCS(=O)(=O)N(CC(N)=[NH2+])c1ccc(Cl)cc1 ZINC000217349305 189709276 /nfs/dbraw/zinc/70/92/76/189709276.db2.gz BRGXJSPZHSZBRB-UHFFFAOYSA-N 1 0 275.761 1.432 40 70 CDIBRO c1csc(OC2CCN(C3CC[NH2+]CC3)CC2)n1 ZINC000217432281 375644252 /nfs/dbraw/zinc/64/42/52/375644252.db2.gz YXFHZMDSHJHMAF-UHFFFAOYSA-N 1 0 267.398 1.738 40 70 CDIBRO CCN(CC(N)=[NH2+])S(=O)(=O)c1ccc(Cl)cc1 ZINC000217758099 327925619 /nfs/dbraw/zinc/92/56/19/327925619.db2.gz LMQLHHYLUGWUCR-UHFFFAOYSA-N 1 0 275.761 1.287 40 70 CDIBRO C[N@@H+]1CCC[C@H](C(=O)NCCSCc2ccco2)C1 ZINC000216907314 358968308 /nfs/dbraw/zinc/96/83/08/358968308.db2.gz YSKPYNSERQMQPR-LBPRGKRZSA-N 1 0 282.409 1.971 40 70 CDIBRO S=C(NCCCn1ccnc1)Nc1ccncc1 ZINC000217865880 359029869 /nfs/dbraw/zinc/02/98/69/359029869.db2.gz GRLWHNVYTUWKLQ-UHFFFAOYSA-N 1 0 261.354 1.655 40 70 CDIBRO COc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1C ZINC000216842710 262341138 /nfs/dbraw/zinc/34/11/38/262341138.db2.gz XARYZTUFYIVDOC-UHFFFAOYSA-N 1 0 262.353 1.828 40 70 CDIBRO CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CCCC[C@H]1O ZINC000216902930 189706805 /nfs/dbraw/zinc/70/68/05/189706805.db2.gz ZHHXILPDPZRXTP-ZIAGYGMSSA-N 1 0 268.401 1.480 40 70 CDIBRO CCC(=O)N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000160833518 376093992 /nfs/dbraw/zinc/09/39/92/376093992.db2.gz XCYTXIRWZHHXHA-UHFFFAOYSA-N 1 0 267.417 1.417 40 70 CDIBRO COc1ccc(C(=O)N2CCC[C@H](C(N)=[NH2+])C2)cc1OC ZINC000217359762 189709387 /nfs/dbraw/zinc/70/93/87/189709387.db2.gz BTVWOMAFMCABTG-NSHDSACASA-N 1 0 291.351 1.492 40 70 CDIBRO CN(CCNC(=O)[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000216913727 529916421 /nfs/dbraw/zinc/91/64/21/529916421.db2.gz RJCOVOAORFDHRL-AWEZNQCLSA-N 1 0 275.396 1.581 40 70 CDIBRO CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000161177647 188513088 /nfs/dbraw/zinc/51/30/88/188513088.db2.gz PUWPONPSXPYXNB-BFHYXJOUSA-N 1 0 282.428 1.944 40 70 CDIBRO C[N@@H+]1CCC[C@@H](C(=O)NCCSC(C)(C)C)C1 ZINC000216907357 358968431 /nfs/dbraw/zinc/96/84/31/358968431.db2.gz XHZNQQKQSNJYNK-LLVKDONJSA-N 1 0 258.431 1.976 40 70 CDIBRO CS(=O)(=O)N(CC(N)=[NH2+])c1cccc(Cl)c1 ZINC000217347955 358994797 /nfs/dbraw/zinc/99/47/97/358994797.db2.gz LVXQZCOYVMUPOL-UHFFFAOYSA-N 1 0 261.734 1.042 40 70 CDIBRO C[NH+]1CCC(Oc2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000216941037 358971201 /nfs/dbraw/zinc/97/12/01/358971201.db2.gz UHZHHMYHHADXEB-UHFFFAOYSA-N 1 0 284.381 1.531 40 70 CDIBRO