smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOCCC[N@@H+]1CCC[C@@H]1c1ccccc1C ZINC000159414669 136214323 /nfs/dbraw/zinc/21/43/23/136214323.db2.gz PNLPXQKWXIFGNT-MRXNPFEDSA-N 1 0 247.382 3.559 20 70 BHIDRO CCOCCC[N@@H+]1CCC[C@H]1c1ccccc1C ZINC000159414802 136214315 /nfs/dbraw/zinc/21/43/15/136214315.db2.gz PNLPXQKWXIFGNT-INIZCTEOSA-N 1 0 247.382 3.559 20 70 BHIDRO Cc1cc(NC[C@@H]2C[C@@H]2C)c2ccccc2[nH+]1 ZINC000159426578 388015108 /nfs/dbraw/zinc/01/51/08/388015108.db2.gz OCSUKCBAJIBJSV-JQWIXIFHSA-N 1 0 226.323 3.611 20 70 BHIDRO Cc1cc(NC[C@H]2C[C@@H]2C)c2ccccc2[nH+]1 ZINC000159426690 201681754 /nfs/dbraw/zinc/68/17/54/201681754.db2.gz OCSUKCBAJIBJSV-CMPLNLGQSA-N 1 0 226.323 3.611 20 70 BHIDRO Cc1cc(NC[C@@H]2C[C@H]2C)c2ccccc2[nH+]1 ZINC000159426782 388014986 /nfs/dbraw/zinc/01/49/86/388014986.db2.gz OCSUKCBAJIBJSV-PWSUYJOCSA-N 1 0 226.323 3.611 20 70 BHIDRO Cc1cc(NC[C@H]2C[C@H]2C)c2ccccc2[nH+]1 ZINC000159426924 388014549 /nfs/dbraw/zinc/01/45/49/388014549.db2.gz OCSUKCBAJIBJSV-ZYHUDNBSSA-N 1 0 226.323 3.611 20 70 BHIDRO Cc1c[nH+]ccc1NCc1cccc2cccnc21 ZINC000159478631 361238110 /nfs/dbraw/zinc/23/81/10/361238110.db2.gz DUCHDLFFVBLYBV-UHFFFAOYSA-N 1 0 249.317 3.550 20 70 BHIDRO CCOCCC[N@@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000159500533 345438287 /nfs/dbraw/zinc/43/82/87/345438287.db2.gz PAOYWYKIKMNWIP-MRXNPFEDSA-N 1 0 247.382 3.559 20 70 BHIDRO CCOCCC[N@@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000159500671 345440578 /nfs/dbraw/zinc/44/05/78/345440578.db2.gz PAOYWYKIKMNWIP-INIZCTEOSA-N 1 0 247.382 3.559 20 70 BHIDRO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCCSC2)c1C ZINC000159543472 323036132 /nfs/dbraw/zinc/03/61/32/323036132.db2.gz QNXYPINTLWTPNA-ZIAGYGMSSA-N 1 0 249.423 3.850 20 70 BHIDRO Cc1cccc([C@H](C)[NH2+][C@@H]2CCCSC2)c1C ZINC000159543595 323036133 /nfs/dbraw/zinc/03/61/33/323036133.db2.gz QNXYPINTLWTPNA-UONOGXRCSA-N 1 0 249.423 3.850 20 70 BHIDRO Cc1cccc([C@@H](C)[NH2+][C@H]2CCCSC2)c1C ZINC000159543728 323036247 /nfs/dbraw/zinc/03/62/47/323036247.db2.gz QNXYPINTLWTPNA-KGLIPLIRSA-N 1 0 249.423 3.850 20 70 BHIDRO Cc1cccc([C@H](C)[NH2+][C@H]2CCCSC2)c1C ZINC000159543875 323036223 /nfs/dbraw/zinc/03/62/23/323036223.db2.gz QNXYPINTLWTPNA-KBPBESRZSA-N 1 0 249.423 3.850 20 70 BHIDRO C[C@H]([NH2+][C@@H]1CCCSC1)[C@@H](C)c1ccccc1 ZINC000159545604 323036271 /nfs/dbraw/zinc/03/62/71/323036271.db2.gz JVFVEFYFPZBBAI-VNHYZAJKSA-N 1 0 249.423 3.664 20 70 BHIDRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCCSC1 ZINC000159545707 323036309 /nfs/dbraw/zinc/03/63/09/323036309.db2.gz JVFVEFYFPZBBAI-KCQAQPDRSA-N 1 0 249.423 3.664 20 70 BHIDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1cc(Cl)ccc1Cl ZINC000159632048 206091828 /nfs/dbraw/zinc/09/18/28/206091828.db2.gz JWOVYGSAABDGNG-RKDXNWHRSA-N 1 0 244.165 3.739 20 70 BHIDRO C[C@H]1C[C@@H]1C[NH2+]Cc1cc(Cl)ccc1Cl ZINC000159632142 206091112 /nfs/dbraw/zinc/09/11/12/206091112.db2.gz JWOVYGSAABDGNG-DTWKUNHWSA-N 1 0 244.165 3.739 20 70 BHIDRO C[C@@H]1C[C@H]1C[NH2+]Cc1cc(Cl)ccc1Cl ZINC000159632223 388024281 /nfs/dbraw/zinc/02/42/81/388024281.db2.gz JWOVYGSAABDGNG-BDAKNGLRSA-N 1 0 244.165 3.739 20 70 BHIDRO C[C@H]1C[C@H]1C[NH2+]Cc1cc(Cl)ccc1Cl ZINC000159632344 388025109 /nfs/dbraw/zinc/02/51/09/388025109.db2.gz JWOVYGSAABDGNG-IUCAKERBSA-N 1 0 244.165 3.739 20 70 BHIDRO CC1CC([NH2+]Cc2cc(Cl)ccc2Cl)C1 ZINC000159642382 388024948 /nfs/dbraw/zinc/02/49/48/388024948.db2.gz HOWNESFGVCGKQG-UHFFFAOYSA-N 1 0 244.165 3.882 20 70 BHIDRO Clc1ccc(Cl)c(C[NH2+]C2CC=CC2)c1 ZINC000159643494 585025833 /nfs/dbraw/zinc/02/58/33/585025833.db2.gz FIEXIITVNADPCB-UHFFFAOYSA-N 1 0 242.149 3.802 20 70 BHIDRO CC[C@H]([NH2+]CCC(C)(C)C)c1nc(C)cs1 ZINC000159661465 388025616 /nfs/dbraw/zinc/02/56/16/388025616.db2.gz RDQLZNPAXBMOBP-NSHDSACASA-N 1 0 240.416 3.928 20 70 BHIDRO CC[C@@H]([NH2+]CCC(C)(C)C)c1nc(C)cs1 ZINC000159661580 388026256 /nfs/dbraw/zinc/02/62/56/388026256.db2.gz RDQLZNPAXBMOBP-LLVKDONJSA-N 1 0 240.416 3.928 20 70 BHIDRO CCCCC[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000159707236 134787153 /nfs/dbraw/zinc/78/71/53/134787153.db2.gz IDFOFFDBVJCBMK-OAHLLOKOSA-N 1 0 232.371 3.717 20 70 BHIDRO CCCCC[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000159707381 345489904 /nfs/dbraw/zinc/48/99/04/345489904.db2.gz IDFOFFDBVJCBMK-HNNXBMFYSA-N 1 0 232.371 3.717 20 70 BHIDRO Fc1cccc(CCC[NH2+]C(C2CC2)C2CC2)c1 ZINC000159757525 323047022 /nfs/dbraw/zinc/04/70/22/323047022.db2.gz XSKYOTUDGFKKLN-UHFFFAOYSA-N 1 0 247.357 3.537 20 70 BHIDRO CC[C@H]([NH2+]CCC(C)(C)C)c1c(C)noc1C ZINC000159760426 323047157 /nfs/dbraw/zinc/04/71/57/323047157.db2.gz QLNBYVVGLPOXJU-LBPRGKRZSA-N 1 0 238.375 3.768 20 70 BHIDRO CC[C@@H]([NH2+]CCC(C)(C)C)c1c(C)noc1C ZINC000159760550 323047265 /nfs/dbraw/zinc/04/72/65/323047265.db2.gz QLNBYVVGLPOXJU-GFCCVEGCSA-N 1 0 238.375 3.768 20 70 BHIDRO CC(C)[N@H+](Cc1cncs1)C1CCCCC1 ZINC000159767663 323047559 /nfs/dbraw/zinc/04/75/59/323047559.db2.gz WOLMLUYZBXFCAN-UHFFFAOYSA-N 1 0 238.400 3.686 20 70 BHIDRO CC(C)[N@H+](Cc1ccn(C)c1)C1CCCCC1 ZINC000159768972 346262927 /nfs/dbraw/zinc/26/29/27/346262927.db2.gz ITNAIYHPGOTKAP-UHFFFAOYSA-N 1 0 234.387 3.568 20 70 BHIDRO Cc1ncccc1C[N@@H+](C(C)C)C1CCCCC1 ZINC000159771764 323047455 /nfs/dbraw/zinc/04/74/55/323047455.db2.gz FMSKDLPQPGVNMA-UHFFFAOYSA-N 1 0 246.398 3.933 20 70 BHIDRO CC(C)[N@H+](Cc1cccn1C)C1CCCCC1 ZINC000159772538 323047543 /nfs/dbraw/zinc/04/75/43/323047543.db2.gz BXRBAEJKAZFKNS-UHFFFAOYSA-N 1 0 234.387 3.568 20 70 BHIDRO CCCCC[N@H+](CCc1nccs1)C(C)C ZINC000159775472 323047450 /nfs/dbraw/zinc/04/74/50/323047450.db2.gz NRFJDTAFYMNDFD-UHFFFAOYSA-N 1 0 240.416 3.586 20 70 BHIDRO Cc1cccc([C@@H]2CCC[N@@H+]2CC2CCCC2)n1 ZINC000159784534 323047803 /nfs/dbraw/zinc/04/78/03/323047803.db2.gz NICHSIUYGYLPSK-INIZCTEOSA-N 1 0 244.382 3.717 20 70 BHIDRO Cc1cccc([C@H]2CCC[N@@H+]2CC2CCCC2)n1 ZINC000159784652 323047785 /nfs/dbraw/zinc/04/77/85/323047785.db2.gz NICHSIUYGYLPSK-MRXNPFEDSA-N 1 0 244.382 3.717 20 70 BHIDRO C[C@H]([NH2+]CCCc1cccc(F)c1)c1ccco1 ZINC000159789834 323047921 /nfs/dbraw/zinc/04/79/21/323047921.db2.gz LXDFQDVRKNARSZ-LBPRGKRZSA-N 1 0 247.313 3.702 20 70 BHIDRO C[C@@H]([NH2+]CCCc1cccc(F)c1)c1ccco1 ZINC000159789965 323047934 /nfs/dbraw/zinc/04/79/34/323047934.db2.gz LXDFQDVRKNARSZ-GFCCVEGCSA-N 1 0 247.313 3.702 20 70 BHIDRO C[C@H]([NH2+]CCCc1cccc(F)c1)C1(C)CC1 ZINC000159798777 323048086 /nfs/dbraw/zinc/04/80/86/323048086.db2.gz NUQQQSQNUNQZET-LBPRGKRZSA-N 1 0 235.346 3.537 20 70 BHIDRO C[C@@H]([NH2+]CCCc1cccc(F)c1)C1(C)CC1 ZINC000159798920 323048106 /nfs/dbraw/zinc/04/81/06/323048106.db2.gz NUQQQSQNUNQZET-GFCCVEGCSA-N 1 0 235.346 3.537 20 70 BHIDRO CCO[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1(C)C ZINC000159799207 388030951 /nfs/dbraw/zinc/03/09/51/388030951.db2.gz QGNHQTOQWRKICB-SNPRPXQTSA-N 1 0 247.382 3.541 20 70 BHIDRO CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1(C)C ZINC000159799467 201689062 /nfs/dbraw/zinc/68/90/62/201689062.db2.gz QGNHQTOQWRKICB-YUELXQCFSA-N 1 0 247.382 3.541 20 70 BHIDRO CC[C@H]([NH2+]CCCc1cccc(F)c1)C1CC1 ZINC000159808593 323049026 /nfs/dbraw/zinc/04/90/26/323049026.db2.gz SCRFNMRQDAOPSP-HNNXBMFYSA-N 1 0 235.346 3.537 20 70 BHIDRO CC[C@@H]([NH2+]CCCc1cccc(F)c1)C1CC1 ZINC000159808700 323049102 /nfs/dbraw/zinc/04/91/02/323049102.db2.gz SCRFNMRQDAOPSP-OAHLLOKOSA-N 1 0 235.346 3.537 20 70 BHIDRO Cc1cnc(C(C)(C)[NH2+]CCC(C)(C)C)s1 ZINC000159818250 388031962 /nfs/dbraw/zinc/03/19/62/388031962.db2.gz OBXHDPLVPJJLLE-UHFFFAOYSA-N 1 0 240.416 3.712 20 70 BHIDRO CCc1nc([C@@H](C)[NH2+]CCC(C)(C)C)cs1 ZINC000159845095 384511630 /nfs/dbraw/zinc/51/16/30/384511630.db2.gz NRKDHWFJULRHOR-SNVBAGLBSA-N 1 0 240.416 3.792 20 70 BHIDRO CCc1nc([C@H](C)[NH2+]CCC(C)(C)C)cs1 ZINC000159845214 388033220 /nfs/dbraw/zinc/03/32/20/388033220.db2.gz NRKDHWFJULRHOR-JTQLQIEISA-N 1 0 240.416 3.792 20 70 BHIDRO CC[C@@H](C)[C@@H](C)[N@H+](Cc1ccc(C)cn1)C1CC1 ZINC000159871070 345576268 /nfs/dbraw/zinc/57/62/68/345576268.db2.gz XJRJNLUPDABSTC-ZIAGYGMSSA-N 1 0 246.398 3.789 20 70 BHIDRO CC[C@H](C)[C@@H](C)[N@H+](Cc1ccc(C)cn1)C1CC1 ZINC000159871214 345575863 /nfs/dbraw/zinc/57/58/63/345575863.db2.gz XJRJNLUPDABSTC-UONOGXRCSA-N 1 0 246.398 3.789 20 70 BHIDRO CC[C@@H](C)[C@H](C)[N@H+](Cc1ccc(C)cn1)C1CC1 ZINC000159871358 345576277 /nfs/dbraw/zinc/57/62/77/345576277.db2.gz XJRJNLUPDABSTC-KGLIPLIRSA-N 1 0 246.398 3.789 20 70 BHIDRO CC[C@H](C)[C@H](C)[N@H+](Cc1ccc(C)cn1)C1CC1 ZINC000159871496 345576261 /nfs/dbraw/zinc/57/62/61/345576261.db2.gz XJRJNLUPDABSTC-KBPBESRZSA-N 1 0 246.398 3.789 20 70 BHIDRO CC1([NH2+]Cc2ccc(F)cc2Cl)CCC1 ZINC000159918979 388038487 /nfs/dbraw/zinc/03/84/87/388038487.db2.gz RQIJXDMARQLYJZ-UHFFFAOYSA-N 1 0 227.710 3.511 20 70 BHIDRO C[C@H](Nc1ccc2ccccc2n1)C1CCC1 ZINC000159980852 345769393 /nfs/dbraw/zinc/76/93/93/345769393.db2.gz KOYXTKCEZGKNJV-NSHDSACASA-N 1 0 226.323 3.835 20 70 BHIDRO C[C@@H](Nc1ccc2ccccc2n1)C1CCC1 ZINC000159980965 345769358 /nfs/dbraw/zinc/76/93/58/345769358.db2.gz KOYXTKCEZGKNJV-LLVKDONJSA-N 1 0 226.323 3.835 20 70 BHIDRO C[C@H](Nc1cc[nH+]c2ccccc12)C1CCC1 ZINC000159981406 538880926 /nfs/dbraw/zinc/88/09/26/538880926.db2.gz IPUXTXCTUKXMDA-NSHDSACASA-N 1 0 226.323 3.835 20 70 BHIDRO C[C@@H](Nc1cc[nH+]c2ccccc12)C1CCC1 ZINC000159981529 538881148 /nfs/dbraw/zinc/88/11/48/538881148.db2.gz IPUXTXCTUKXMDA-LLVKDONJSA-N 1 0 226.323 3.835 20 70 BHIDRO CC1([NH2+]Cc2cccc(Cl)c2F)CCC1 ZINC000159998607 324138070 /nfs/dbraw/zinc/13/80/70/324138070.db2.gz FOLQKRKFTYBFDP-UHFFFAOYSA-N 1 0 227.710 3.511 20 70 BHIDRO CC1([NH2+]Cc2ccc(Cl)c(F)c2)CCC1 ZINC000160000508 323057180 /nfs/dbraw/zinc/05/71/80/323057180.db2.gz SHBMHEHYDVUAIO-UHFFFAOYSA-N 1 0 227.710 3.511 20 70 BHIDRO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H](C)C1CC1 ZINC000160115249 345800348 /nfs/dbraw/zinc/80/03/48/345800348.db2.gz YOXQEXDHOGBDRL-WFASDCNBSA-N 1 0 245.366 3.597 20 70 BHIDRO Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H](C)C1CC1 ZINC000160115375 345799928 /nfs/dbraw/zinc/79/99/28/345799928.db2.gz YOXQEXDHOGBDRL-SWLSCSKDSA-N 1 0 245.366 3.597 20 70 BHIDRO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H](C)C1CC1 ZINC000160115505 345800095 /nfs/dbraw/zinc/80/00/95/345800095.db2.gz YOXQEXDHOGBDRL-DOMZBBRYSA-N 1 0 245.366 3.597 20 70 BHIDRO Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@H](C)C1CC1 ZINC000160115622 345799841 /nfs/dbraw/zinc/79/98/41/345799841.db2.gz YOXQEXDHOGBDRL-IUODEOHRSA-N 1 0 245.366 3.597 20 70 BHIDRO C[C@H]([NH2+][C@@H]1CC(C)(C)Cc2occc21)C1CC1 ZINC000160119332 345801581 /nfs/dbraw/zinc/80/15/81/345801581.db2.gz OCDCBXGYLAJYIF-GXFFZTMASA-N 1 0 233.355 3.681 20 70 BHIDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)Cc2occc21)C1CC1 ZINC000160119476 345801626 /nfs/dbraw/zinc/80/16/26/345801626.db2.gz OCDCBXGYLAJYIF-ZWNOBZJWSA-N 1 0 233.355 3.681 20 70 BHIDRO C[C@H]([NH2+][C@H]1CC(C)(C)Cc2occc21)C1CC1 ZINC000160119575 345801855 /nfs/dbraw/zinc/80/18/55/345801855.db2.gz OCDCBXGYLAJYIF-GWCFXTLKSA-N 1 0 233.355 3.681 20 70 BHIDRO C[C@@H]([NH2+][C@H]1CC(C)(C)Cc2occc21)C1CC1 ZINC000160119715 345801795 /nfs/dbraw/zinc/80/17/95/345801795.db2.gz OCDCBXGYLAJYIF-MFKMUULPSA-N 1 0 233.355 3.681 20 70 BHIDRO CC(C)[N@H+](Cc1ccccn1)C1CCCCC1 ZINC000160120704 384384932 /nfs/dbraw/zinc/38/49/32/384384932.db2.gz CKQYGEXZGOJTRM-UHFFFAOYSA-N 1 0 232.371 3.625 20 70 BHIDRO C[C@@H](CCc1ccccc1F)[NH2+][C@@H](C)C1CC1 ZINC000160124343 323060940 /nfs/dbraw/zinc/06/09/40/323060940.db2.gz IAVAGYSFYIWNKT-RYUDHWBXSA-N 1 0 235.346 3.535 20 70 BHIDRO C[C@H](CCc1ccccc1F)[NH2+][C@@H](C)C1CC1 ZINC000160124489 323060977 /nfs/dbraw/zinc/06/09/77/323060977.db2.gz IAVAGYSFYIWNKT-NEPJUHHUSA-N 1 0 235.346 3.535 20 70 BHIDRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1F)C1CC1 ZINC000160124579 323061040 /nfs/dbraw/zinc/06/10/40/323061040.db2.gz IAVAGYSFYIWNKT-NWDGAFQWSA-N 1 0 235.346 3.535 20 70 BHIDRO C[C@H](CCc1ccccc1F)[NH2+][C@H](C)C1CC1 ZINC000160124672 323061019 /nfs/dbraw/zinc/06/10/19/323061019.db2.gz IAVAGYSFYIWNKT-VXGBXAGGSA-N 1 0 235.346 3.535 20 70 BHIDRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)C1CC1)CCCO2 ZINC000160126990 134799018 /nfs/dbraw/zinc/79/90/18/134799018.db2.gz ZJADKNTXOXQVHL-SWLSCSKDSA-N 1 0 245.366 3.597 20 70 BHIDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)C1CC1)CCCO2 ZINC000160127090 345802923 /nfs/dbraw/zinc/80/29/23/345802923.db2.gz ZJADKNTXOXQVHL-WFASDCNBSA-N 1 0 245.366 3.597 20 70 BHIDRO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)C1CC1)CCCO2 ZINC000160127193 134799000 /nfs/dbraw/zinc/79/90/00/134799000.db2.gz ZJADKNTXOXQVHL-IUODEOHRSA-N 1 0 245.366 3.597 20 70 BHIDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)C1CC1)CCCO2 ZINC000160127291 345803348 /nfs/dbraw/zinc/80/33/48/345803348.db2.gz ZJADKNTXOXQVHL-DOMZBBRYSA-N 1 0 245.366 3.597 20 70 BHIDRO C[C@@H](CCc1ccc(F)cc1)[NH2+][C@@H](C)C1CC1 ZINC000160144506 323061298 /nfs/dbraw/zinc/06/12/98/323061298.db2.gz OYLRQQRTHVVBFR-RYUDHWBXSA-N 1 0 235.346 3.535 20 70 BHIDRO C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H](C)C1CC1 ZINC000160144624 323061260 /nfs/dbraw/zinc/06/12/60/323061260.db2.gz OYLRQQRTHVVBFR-NEPJUHHUSA-N 1 0 235.346 3.535 20 70 BHIDRO C[C@@H]([NH2+][C@@H](C)CCc1ccc(F)cc1)C1CC1 ZINC000160144753 323061295 /nfs/dbraw/zinc/06/12/95/323061295.db2.gz OYLRQQRTHVVBFR-NWDGAFQWSA-N 1 0 235.346 3.535 20 70 BHIDRO C[C@H](CCc1ccc(F)cc1)[NH2+][C@H](C)C1CC1 ZINC000160144907 323061206 /nfs/dbraw/zinc/06/12/06/323061206.db2.gz OYLRQQRTHVVBFR-VXGBXAGGSA-N 1 0 235.346 3.535 20 70 BHIDRO C[C@H]([NH2+]CCC(C)(C)C)[C@@H]1COc2ccccc21 ZINC000160153542 323061491 /nfs/dbraw/zinc/06/14/91/323061491.db2.gz MTRJBMVVXHEDSU-JSGCOSHPSA-N 1 0 247.382 3.577 20 70 BHIDRO C[C@@H]([NH2+]CCC(C)(C)C)[C@@H]1COc2ccccc21 ZINC000160153676 323061423 /nfs/dbraw/zinc/06/14/23/323061423.db2.gz MTRJBMVVXHEDSU-OCCSQVGLSA-N 1 0 247.382 3.577 20 70 BHIDRO C[C@H]([NH2+]CCC(C)(C)C)[C@H]1COc2ccccc21 ZINC000160153815 323061485 /nfs/dbraw/zinc/06/14/85/323061485.db2.gz MTRJBMVVXHEDSU-GXTWGEPZSA-N 1 0 247.382 3.577 20 70 BHIDRO C[C@@H]([NH2+]CCC(C)(C)C)[C@H]1COc2ccccc21 ZINC000160153956 323061564 /nfs/dbraw/zinc/06/15/64/323061564.db2.gz MTRJBMVVXHEDSU-TZMCWYRMSA-N 1 0 247.382 3.577 20 70 BHIDRO CC[C@@H](C)C[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000160366258 170703539 /nfs/dbraw/zinc/70/35/39/170703539.db2.gz GPTQUXWWGSEUAH-IUODEOHRSA-N 1 0 232.371 3.573 20 70 BHIDRO CC[C@H](C)C[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000160366419 171281875 /nfs/dbraw/zinc/28/18/75/171281875.db2.gz GPTQUXWWGSEUAH-SWLSCSKDSA-N 1 0 232.371 3.573 20 70 BHIDRO CC(C)[C@@H](C)[NH2+]CCc1ccc(Cl)s1 ZINC000160367486 201712628 /nfs/dbraw/zinc/71/26/28/201712628.db2.gz VXOYVBAGHQEQOC-SECBINFHSA-N 1 0 231.792 3.578 20 70 BHIDRO CC(C)[C@H](C)[NH2+]CCc1ccc(Cl)s1 ZINC000160367611 388059362 /nfs/dbraw/zinc/05/93/62/388059362.db2.gz VXOYVBAGHQEQOC-VIFPVBQESA-N 1 0 231.792 3.578 20 70 BHIDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCC(C)(C)C)n1 ZINC000160392941 323065629 /nfs/dbraw/zinc/06/56/29/323065629.db2.gz ZTQWFDARERVVOU-HNNXBMFYSA-N 1 0 246.398 3.963 20 70 BHIDRO Cc1cccc([C@H]2CCC[N@@H+]2CCC(C)(C)C)n1 ZINC000160393067 323065651 /nfs/dbraw/zinc/06/56/51/323065651.db2.gz ZTQWFDARERVVOU-OAHLLOKOSA-N 1 0 246.398 3.963 20 70 BHIDRO CCC[N@H+](Cc1cncs1)Cc1ccccc1 ZINC000160475131 169177499 /nfs/dbraw/zinc/17/74/99/169177499.db2.gz FQCFKEJZYZKMQR-UHFFFAOYSA-N 1 0 246.379 3.555 20 70 BHIDRO Cc1ccoc1C[N@@H+](C)Cc1ccccc1C ZINC000160525125 323070218 /nfs/dbraw/zinc/07/02/18/323070218.db2.gz JTRVKMJQHOEZFX-UHFFFAOYSA-N 1 0 229.323 3.528 20 70 BHIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)c1ccccn1 ZINC000160594460 384423292 /nfs/dbraw/zinc/42/32/92/384423292.db2.gz VTNWSWAHGJBFPW-OLZOCXBDSA-N 1 0 220.360 3.511 20 70 BHIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)c1ccccn1 ZINC000160594575 171278543 /nfs/dbraw/zinc/27/85/43/171278543.db2.gz VTNWSWAHGJBFPW-STQMWFEESA-N 1 0 220.360 3.511 20 70 BHIDRO Cc1ccc(C[N@H+](C)Cc2cccs2)s1 ZINC000160612600 323073688 /nfs/dbraw/zinc/07/36/88/323073688.db2.gz BTBPFCSFZGKTGE-UHFFFAOYSA-N 1 0 237.393 3.750 20 70 BHIDRO CC[C@@H](C)[C@@H](C)[NH2+][C@@H](CCCO)c1ccccc1 ZINC000160691658 397771558 /nfs/dbraw/zinc/77/15/58/397771558.db2.gz QUYCOOCGPQOZNO-FMKPAKJESA-N 1 0 249.398 3.524 20 70 BHIDRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](CCCO)c1ccccc1 ZINC000160691778 171366868 /nfs/dbraw/zinc/36/68/68/171366868.db2.gz QUYCOOCGPQOZNO-LZWOXQAQSA-N 1 0 249.398 3.524 20 70 BHIDRO CC[C@@H](C)[C@H](C)[NH2+][C@@H](CCCO)c1ccccc1 ZINC000160691907 170792237 /nfs/dbraw/zinc/79/22/37/170792237.db2.gz QUYCOOCGPQOZNO-YCPHGPKFSA-N 1 0 249.398 3.524 20 70 BHIDRO CC[C@H](C)[C@H](C)[NH2+][C@@H](CCCO)c1ccccc1 ZINC000160692047 171390396 /nfs/dbraw/zinc/39/03/96/171390396.db2.gz QUYCOOCGPQOZNO-DZKIICNBSA-N 1 0 249.398 3.524 20 70 BHIDRO C[C@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1ccoc1 ZINC000160708716 323103761 /nfs/dbraw/zinc/10/37/61/323103761.db2.gz FKBWNRXVLKUBEI-ZUZCIYMTSA-N 1 0 245.297 3.757 20 70 BHIDRO C[C@@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1ccoc1 ZINC000160708850 323103774 /nfs/dbraw/zinc/10/37/74/323103774.db2.gz FKBWNRXVLKUBEI-MEBBXXQBSA-N 1 0 245.297 3.757 20 70 BHIDRO C[C@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1ccoc1 ZINC000160708972 323103771 /nfs/dbraw/zinc/10/37/71/323103771.db2.gz FKBWNRXVLKUBEI-BONVTDFDSA-N 1 0 245.297 3.757 20 70 BHIDRO C[C@@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1ccoc1 ZINC000160709102 323103782 /nfs/dbraw/zinc/10/37/82/323103782.db2.gz FKBWNRXVLKUBEI-BMIGLBTASA-N 1 0 245.297 3.757 20 70 BHIDRO CC[C@H]([NH2+][C@@H](CCCO)c1ccccc1)C(C)C ZINC000160825743 323136640 /nfs/dbraw/zinc/13/66/40/323136640.db2.gz XBJOXIDMADXOHW-HOTGVXAUSA-N 1 0 249.398 3.524 20 70 BHIDRO CC[C@@H]([NH2+][C@@H](CCCO)c1ccccc1)C(C)C ZINC000160825857 323136663 /nfs/dbraw/zinc/13/66/63/323136663.db2.gz XBJOXIDMADXOHW-CVEARBPZSA-N 1 0 249.398 3.524 20 70 BHIDRO CC[C@H]([NH2+][C@H](CCCO)c1ccccc1)C(C)C ZINC000160825975 323136695 /nfs/dbraw/zinc/13/66/95/323136695.db2.gz XBJOXIDMADXOHW-JKSUJKDBSA-N 1 0 249.398 3.524 20 70 BHIDRO CC[C@@H]([NH2+][C@H](CCCO)c1ccccc1)C(C)C ZINC000160826060 323136682 /nfs/dbraw/zinc/13/66/82/323136682.db2.gz XBJOXIDMADXOHW-HZPDHXFCSA-N 1 0 249.398 3.524 20 70 BHIDRO Cc1ccc(C[N@@H+](C)Cc2ccc(C)s2)o1 ZINC000160851012 323136827 /nfs/dbraw/zinc/13/68/27/323136827.db2.gz GSYYRWKVZHAFAW-UHFFFAOYSA-N 1 0 235.352 3.590 20 70 BHIDRO CC[C@H]([NH2+]C1CC=CC1)c1ccc(F)cc1F ZINC000160897091 538913423 /nfs/dbraw/zinc/91/34/23/538913423.db2.gz SZAKAHKWZLLAFW-AWEZNQCLSA-N 1 0 237.293 3.724 20 70 BHIDRO CC[C@@H]([NH2+]C1CC=CC1)c1ccc(F)cc1F ZINC000160897204 538913430 /nfs/dbraw/zinc/91/34/30/538913430.db2.gz SZAKAHKWZLLAFW-CQSZACIVSA-N 1 0 237.293 3.724 20 70 BHIDRO Cc1cc(N[C@@H](C)CCc2ccccc2)cc[nH+]1 ZINC000160911542 178179080 /nfs/dbraw/zinc/17/90/80/178179080.db2.gz JIESYJVYQWWGFB-ZDUSSCGKSA-N 1 0 240.350 3.823 20 70 BHIDRO Cc1cc(N[C@H](C)CCc2ccccc2)cc[nH+]1 ZINC000160911612 178185383 /nfs/dbraw/zinc/18/53/83/178185383.db2.gz JIESYJVYQWWGFB-CYBMUJFWSA-N 1 0 240.350 3.823 20 70 BHIDRO Cc1cc([C@H](C)Nc2cc[nH+]c(C)c2)c(C)o1 ZINC000160919436 178178710 /nfs/dbraw/zinc/17/87/10/178178710.db2.gz YKYPKJLTCFUHDJ-NSHDSACASA-N 1 0 230.311 3.773 20 70 BHIDRO Cc1cc([C@@H](C)Nc2cc[nH+]c(C)c2)c(C)o1 ZINC000160919568 178186852 /nfs/dbraw/zinc/18/68/52/178186852.db2.gz YKYPKJLTCFUHDJ-LLVKDONJSA-N 1 0 230.311 3.773 20 70 BHIDRO Cc1cc(NCc2cccc3cccnc32)cc[nH+]1 ZINC000160919700 178172470 /nfs/dbraw/zinc/17/24/70/178172470.db2.gz HGYOOXXMNJABDG-UHFFFAOYSA-N 1 0 249.317 3.550 20 70 BHIDRO Cc1ccc(C[NH2+][C@H](C(C)C)C2CC2)s1 ZINC000160942188 323139717 /nfs/dbraw/zinc/13/97/17/323139717.db2.gz SMWIQINSDJEAKK-CYBMUJFWSA-N 1 0 223.385 3.581 20 70 BHIDRO Cc1ccc(C[NH2+][C@@H](C(C)C)C2CC2)s1 ZINC000160942319 323139752 /nfs/dbraw/zinc/13/97/52/323139752.db2.gz SMWIQINSDJEAKK-ZDUSSCGKSA-N 1 0 223.385 3.581 20 70 BHIDRO C[C@H]([NH2+]C[C@@H]1CCc2ccccc21)c1ccco1 ZINC000160986987 323142243 /nfs/dbraw/zinc/14/22/43/323142243.db2.gz ZPAJEGUNDIHSSA-JSGCOSHPSA-N 1 0 241.334 3.660 20 70 BHIDRO C[C@@H]([NH2+]C[C@@H]1CCc2ccccc21)c1ccco1 ZINC000160987113 323142270 /nfs/dbraw/zinc/14/22/70/323142270.db2.gz ZPAJEGUNDIHSSA-OCCSQVGLSA-N 1 0 241.334 3.660 20 70 BHIDRO C[C@H]([NH2+]C[C@H]1CCc2ccccc21)c1ccco1 ZINC000160987203 323142240 /nfs/dbraw/zinc/14/22/40/323142240.db2.gz ZPAJEGUNDIHSSA-GXTWGEPZSA-N 1 0 241.334 3.660 20 70 BHIDRO C[C@@H]([NH2+]C[C@H]1CCc2ccccc21)c1ccco1 ZINC000160987328 323142276 /nfs/dbraw/zinc/14/22/76/323142276.db2.gz ZPAJEGUNDIHSSA-TZMCWYRMSA-N 1 0 241.334 3.660 20 70 BHIDRO CC(C)CC[C@@H](C)[NH2+][C@H](CCO)c1ccccc1 ZINC000161051581 323144660 /nfs/dbraw/zinc/14/46/60/323144660.db2.gz YFJMSYGZCPWFGO-GDBMZVCRSA-N 1 0 249.398 3.524 20 70 BHIDRO CC(C)CC[C@H](C)[NH2+][C@H](CCO)c1ccccc1 ZINC000161051747 323145223 /nfs/dbraw/zinc/14/52/23/323145223.db2.gz YFJMSYGZCPWFGO-GOEBONIOSA-N 1 0 249.398 3.524 20 70 BHIDRO CCCC[C@@H](CC)[NH2+][C@H](CCO)c1ccccc1 ZINC000161079754 133512036 /nfs/dbraw/zinc/51/20/36/133512036.db2.gz UYCHWOKVQYSOEB-HZPDHXFCSA-N 1 0 249.398 3.669 20 70 BHIDRO CCCC[C@H](CC)[NH2+][C@H](CCO)c1ccccc1 ZINC000161079870 349368484 /nfs/dbraw/zinc/36/84/84/349368484.db2.gz UYCHWOKVQYSOEB-JKSUJKDBSA-N 1 0 249.398 3.669 20 70 BHIDRO CCCCC[C@@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000161131368 384768383 /nfs/dbraw/zinc/76/83/83/384768383.db2.gz XWDKDNJYPINKNL-MNOVXSKESA-N 1 0 226.389 3.763 20 70 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CC1(C[NH2+]C/C=C\c2ccccc2)CCCC1 ZINC000216950536 397838442 /nfs/dbraw/zinc/83/84/42/397838442.db2.gz WIEMYWOOEBMJQW-YFHOEESVSA-N 1 0 229.367 3.870 20 70 BHIDRO C[C@H]([NH2+]C/C=C\c1ccccc1)C1CCCC1 ZINC000216957225 256606465 /nfs/dbraw/zinc/60/64/65/256606465.db2.gz SOVLRYOTHOYTOL-YHAOYDPOSA-N 1 0 229.367 3.868 20 70 BHIDRO C[C@@H]([NH2+]C/C=C\c1ccccc1)C1CCCC1 ZINC000216957249 385448623 /nfs/dbraw/zinc/44/86/23/385448623.db2.gz SOVLRYOTHOYTOL-JKEYDSJLSA-N 1 0 229.367 3.868 20 70 BHIDRO CCCCC[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000217231615 384503801 /nfs/dbraw/zinc/50/38/01/384503801.db2.gz ZULVNZWDEOYTHZ-GDBMZVCRSA-N 1 0 247.382 3.639 20 70 BHIDRO CCCCC[N@@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000217231619 384506767 /nfs/dbraw/zinc/50/67/67/384506767.db2.gz ZULVNZWDEOYTHZ-GOEBONIOSA-N 1 0 247.382 3.639 20 70 BHIDRO CC[C@@H](CSC)[NH2+]CCC1CCCCC1 ZINC000217328479 322828246 /nfs/dbraw/zinc/82/82/46/322828246.db2.gz ZEETVMQCFWBCHB-ZDUSSCGKSA-N 1 0 229.433 3.688 20 70 BHIDRO CC[C@H](CSC)[NH2+]CCC1CCCCC1 ZINC000217328480 384493561 /nfs/dbraw/zinc/49/35/61/384493561.db2.gz ZEETVMQCFWBCHB-CYBMUJFWSA-N 1 0 229.433 3.688 20 70 BHIDRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CCC1 ZINC000217418971 323004359 /nfs/dbraw/zinc/00/43/59/323004359.db2.gz IDGFIPQZFOLJFR-BNOWGMLFSA-N 1 0 209.377 3.589 20 70 BHIDRO CCCC[C@@H](CC)CNC(=[NH2+])Nc1ccccc1 ZINC000217998276 592151323 /nfs/dbraw/zinc/15/13/23/592151323.db2.gz PFLORXRQUOMQKI-CYBMUJFWSA-N 1 0 247.386 3.839 20 70 BHIDRO C[C@@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC000218061992 388575990 /nfs/dbraw/zinc/57/59/90/388575990.db2.gz UBJBCPXTDMKWIZ-CYBMUJFWSA-N 1 0 209.377 3.689 20 70 BHIDRO C[C@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC000218062070 350081374 /nfs/dbraw/zinc/08/13/74/350081374.db2.gz UBJBCPXTDMKWIZ-ZDUSSCGKSA-N 1 0 209.377 3.689 20 70 BHIDRO C[C@@H]([NH2+]C[C@@H]1CCCC[C@@H]1C)c1cccc(O)c1 ZINC000218414368 256834111 /nfs/dbraw/zinc/83/41/11/256834111.db2.gz UHTCNCICYCCAKY-GUTXKFCHSA-N 1 0 247.382 3.869 20 70 BHIDRO C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1C)c1cccc(O)c1 ZINC000218414449 256834151 /nfs/dbraw/zinc/83/41/51/256834151.db2.gz UHTCNCICYCCAKY-GZBFAFLISA-N 1 0 247.382 3.869 20 70 BHIDRO CCCCN(C)c1cc(C)[nH+]c2ccccc21 ZINC000218465645 388582861 /nfs/dbraw/zinc/58/28/61/388582861.db2.gz JUUBTBOQZGGXGK-UHFFFAOYSA-N 1 0 228.339 3.780 20 70 BHIDRO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000218538820 256849503 /nfs/dbraw/zinc/84/95/03/256849503.db2.gz AXEAGZVNXWPPFD-MCIONIFRSA-N 1 0 207.361 3.511 20 70 BHIDRO C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000218538971 256850201 /nfs/dbraw/zinc/85/02/01/256850201.db2.gz AXEAGZVNXWPPFD-MGPQQGTHSA-N 1 0 207.361 3.511 20 70 BHIDRO C[C@@H](CC1CCCCC1)[NH2+]Cc1cccnc1 ZINC000218646620 345745113 /nfs/dbraw/zinc/74/51/13/345745113.db2.gz QDBYHZQLSKRUJY-ZDUSSCGKSA-N 1 0 232.371 3.530 20 70 BHIDRO