smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CCN(C([O-])=[NH+]C2CC(c3cccc(Cl)c3)C2)C[C@H]1n1cc[nH+]c1 ZINC000329897679 1087673982 /nfs/dbraw/zinc/67/39/82/1087673982.db2.gz DBIHTFTXMUKWEU-WLHONDITSA-N 1 2 372.900 4.280 10 30 FIEELO C[C@@H]1CCN(C(=O)NC2CC(c3cccc(Cl)c3)C2)C[C@H]1n1cc[nH+]c1 ZINC000329897679 1087673985 /nfs/dbraw/zinc/67/39/85/1087673985.db2.gz DBIHTFTXMUKWEU-WLHONDITSA-N 1 2 372.900 4.280 10 30 FIEELO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCC[C@H]1c1ccccc1)C2 ZINC000329241048 1094795216 /nfs/dbraw/zinc/79/52/16/1094795216.db2.gz RLEFQGFZLBXCOG-ROUUACIJSA-N 1 2 366.509 4.247 10 30 FIEELO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H](c2ccc(C)cc2)C2CC2)C1 ZINC000329685937 1087186780 /nfs/dbraw/zinc/18/67/80/1087186780.db2.gz UUNLZSIDWALNBC-CTNGQTDRSA-N 1 2 366.509 4.456 10 30 FIEELO Cc1csc([C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C2CC2)n1 ZINC000329002008 1094709893 /nfs/dbraw/zinc/70/98/93/1094709893.db2.gz HBYQCFXNKUTOBF-SRCQZFHVSA-N 1 2 356.495 4.027 10 30 FIEELO C[C@@H]1CCN(C([O-])=[NH+]C2CC(c3cccc(Cl)c3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000329897678 1087674266 /nfs/dbraw/zinc/67/42/66/1087674266.db2.gz DBIHTFTXMUKWEU-LEDLJOFTSA-N 1 2 372.900 4.280 10 30 FIEELO C[C@@H]1CCN(C(=O)NC2CC(c3cccc(Cl)c3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000329897678 1087674268 /nfs/dbraw/zinc/67/42/68/1087674268.db2.gz DBIHTFTXMUKWEU-LEDLJOFTSA-N 1 2 372.900 4.280 10 30 FIEELO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](n3cccn3)C2)c(Cl)c1 ZINC000328718110 1104531537 /nfs/dbraw/zinc/53/15/37/1104531537.db2.gz UWIAYHRWPSJZBD-HOTGVXAUSA-N 1 2 360.889 4.467 10 30 FIEELO Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](n3cccn3)C2)c(Cl)c1 ZINC000328718110 1104531544 /nfs/dbraw/zinc/53/15/44/1104531544.db2.gz UWIAYHRWPSJZBD-HOTGVXAUSA-N 1 2 360.889 4.467 10 30 FIEELO COc1ccc(-c2[nH+]c(C)cc(C)c2CNC(=O)c2cccc(C#N)c2)cc1 ZINC000065171116 205321497 /nfs/dbraw/zinc/32/14/97/205321497.db2.gz QVBLRUWKHQOGDI-UHFFFAOYSA-N 1 2 371.440 4.176 10 30 FIEELO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H](c2ccccc2C)C2CC2)C1 ZINC000329658809 1087157735 /nfs/dbraw/zinc/15/77/35/1087157735.db2.gz HJDANFOSNLPYHG-WIYYLYMNSA-N 1 2 366.509 4.456 10 30 FIEELO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+][C@H](c2ccccc2C)C2CC2)C1 ZINC000329658808 1087157610 /nfs/dbraw/zinc/15/76/10/1087157610.db2.gz HJDANFOSNLPYHG-NQIIRXRSSA-N 1 2 366.509 4.456 10 30 FIEELO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCC[C@]2(CC=CCC2)C1 ZINC000329362526 1086929271 /nfs/dbraw/zinc/92/92/71/1086929271.db2.gz CVMDXQOAXSYSJH-OAQYLSRUSA-N 1 2 350.466 4.109 10 30 FIEELO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CC[C@@H]2CCC[C@H]21 ZINC000329630282 1087117030 /nfs/dbraw/zinc/11/70/30/1087117030.db2.gz QTNZJPGFWCFJHB-HNAYVOBHSA-N 1 2 350.466 4.306 10 30 FIEELO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](n3cccn3)C2)c(Cl)c1 ZINC000328718112 1104532285 /nfs/dbraw/zinc/53/22/85/1104532285.db2.gz UWIAYHRWPSJZBD-JKSUJKDBSA-N 1 2 360.889 4.467 10 30 FIEELO Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](n3cccn3)C2)c(Cl)c1 ZINC000328718112 1104532293 /nfs/dbraw/zinc/53/22/93/1104532293.db2.gz UWIAYHRWPSJZBD-JKSUJKDBSA-N 1 2 360.889 4.467 10 30 FIEELO CC(=NNc1cc[nH+]c2cc(Cl)ccc12)c1ccc2c(c1)OCCO2 ZINC000038330640 207205396 /nfs/dbraw/zinc/20/53/96/207205396.db2.gz GVEVGVADMLPVHU-UUYOSTAYSA-N 1 2 353.809 4.496 10 30 FIEELO Cc1csc(C2(NC(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)CCCC2)n1 ZINC000328931118 571326465 /nfs/dbraw/zinc/32/64/65/571326465.db2.gz BBOMXURQENPKAD-GDBMZVCRSA-N 1 2 370.522 4.345 10 30 FIEELO C=CCN(Cc1[nH+]ccn1Cc1cccc(F)c1)C(=O)c1cccc(F)c1 ZINC000006690682 263346654 /nfs/dbraw/zinc/34/66/54/263346654.db2.gz WGUATYLCJSWCHH-UHFFFAOYSA-N 1 2 367.399 4.038 10 30 FIEELO Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N(C)[C@@H](C)Cc1ccc(Cl)cc1)CCC2 ZINC000328653383 1104525506 /nfs/dbraw/zinc/52/55/06/1104525506.db2.gz LDEXXIUOCXKXRT-RDJZCZTQSA-N 1 2 374.916 4.199 10 30 FIEELO Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](n3cccn3)C2)c(Cl)c1 ZINC000328718109 1104531605 /nfs/dbraw/zinc/53/16/05/1104531605.db2.gz UWIAYHRWPSJZBD-CVEARBPZSA-N 1 2 360.889 4.467 10 30 FIEELO Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](n3cccn3)C2)c(Cl)c1 ZINC000328718109 1104531611 /nfs/dbraw/zinc/53/16/11/1104531611.db2.gz UWIAYHRWPSJZBD-CVEARBPZSA-N 1 2 360.889 4.467 10 30 FIEELO Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](n3cccn3)C2)c(Cl)c1 ZINC000328718111 1104532031 /nfs/dbraw/zinc/53/20/31/1104532031.db2.gz UWIAYHRWPSJZBD-HZPDHXFCSA-N 1 2 360.889 4.467 10 30 FIEELO Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](n3cccn3)C2)c(Cl)c1 ZINC000328718111 1104532041 /nfs/dbraw/zinc/53/20/41/1104532041.db2.gz UWIAYHRWPSJZBD-HZPDHXFCSA-N 1 2 360.889 4.467 10 30 FIEELO C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329041624 1094719941 /nfs/dbraw/zinc/71/99/41/1094719941.db2.gz ONLWHJPQABDLOM-YPMHNXCESA-N 1 2 360.845 4.066 10 30 FIEELO C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329041624 1094719958 /nfs/dbraw/zinc/71/99/58/1094719958.db2.gz ONLWHJPQABDLOM-YPMHNXCESA-N 1 2 360.845 4.066 10 30 FIEELO Cc1cc(C)c2ncc(C#N)c(N3CCc4c([nH+]c(C(C)C)n4C)C3)c2c1 ZINC000301397470 1085261296 /nfs/dbraw/zinc/26/12/96/1085261296.db2.gz NWDVGBPVHRHEAK-UHFFFAOYSA-N 1 2 359.477 4.143 10 30 FIEELO CN(C([O-])=[NH+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)[C@H]1CCc2ccccc21 ZINC000329277701 1094813470 /nfs/dbraw/zinc/81/34/70/1094813470.db2.gz LTAXEDKPHPFUSP-AEFFLSMTSA-N 1 2 366.509 4.029 10 30 FIEELO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CC[C@H]2CCC[C@H]21 ZINC000329630281 1087116960 /nfs/dbraw/zinc/11/69/60/1087116960.db2.gz QTNZJPGFWCFJHB-DNVCBOLYSA-N 1 2 350.466 4.306 10 30 FIEELO Cc1csc([C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C2CC2)n1 ZINC000329002014 1094708506 /nfs/dbraw/zinc/70/85/06/1094708506.db2.gz HBYQCFXNKUTOBF-VMGRFDJRSA-N 1 2 356.495 4.027 10 30 FIEELO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCC[C@@H]1c1ccccc1)C2 ZINC000329241051 1094795105 /nfs/dbraw/zinc/79/51/05/1094795105.db2.gz RLEFQGFZLBXCOG-ZWKOTPCHSA-N 1 2 366.509 4.247 10 30 FIEELO CC1(C)CCc2ccccc2[C@H]1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000328696547 1104538367 /nfs/dbraw/zinc/53/83/67/1104538367.db2.gz GVLFPQIJXYZEQR-LJQANCHMSA-N 1 2 352.482 4.217 10 30 FIEELO CC1(C)CCc2ccccc2[C@H]1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000328696547 1104538378 /nfs/dbraw/zinc/53/83/78/1104538378.db2.gz GVLFPQIJXYZEQR-LJQANCHMSA-N 1 2 352.482 4.217 10 30 FIEELO COCC[N@H+](Cc1cccn1Cc1ccccc1)Cc1ccccc1C#N ZINC000096299919 222113530 /nfs/dbraw/zinc/11/35/30/222113530.db2.gz BHDUWEJTVANBKN-UHFFFAOYSA-N 1 2 359.473 4.057 10 30 FIEELO COCC[N@@H+](Cc1cccn1Cc1ccccc1)Cc1ccccc1C#N ZINC000096299919 222113533 /nfs/dbraw/zinc/11/35/33/222113533.db2.gz BHDUWEJTVANBKN-UHFFFAOYSA-N 1 2 359.473 4.057 10 30 FIEELO Cc1csc(C2([NH2+]CC(=O)Nc3nc4c(s3)CCCC4)CCC2)n1 ZINC000330261617 1095440323 /nfs/dbraw/zinc/44/03/23/1095440323.db2.gz PGOIJTXGRAXTQD-UHFFFAOYSA-N 1 2 362.524 4.044 10 30 FIEELO C=CCc1ccccc1OCCCn1c2ccccc2[nH+]c1CCCO ZINC000040225340 210043682 /nfs/dbraw/zinc/04/36/82/210043682.db2.gz FLLMBODKDTUARJ-UHFFFAOYSA-N 1 2 350.462 4.159 10 30 FIEELO C=CCN(Cc1[nH+]ccn1Cc1ccccc1F)C(=O)c1ccc(F)cc1 ZINC000006723863 263346579 /nfs/dbraw/zinc/34/65/79/263346579.db2.gz LBYSEXVCJPYFCQ-UHFFFAOYSA-N 1 2 367.399 4.038 10 30 FIEELO CN(C([O-])=[NH+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)[C@@H]1CCc2ccccc21 ZINC000329277703 1094812550 /nfs/dbraw/zinc/81/25/50/1094812550.db2.gz LTAXEDKPHPFUSP-SJLPKXTDSA-N 1 2 366.509 4.029 10 30 FIEELO C=CCOc1ccc(C[NH2+]Cc2ncc(-c3ccccc3)cn2)cc1OC ZINC000185869695 1101750400 /nfs/dbraw/zinc/75/04/00/1101750400.db2.gz LUFDKOWJBWHHSU-UHFFFAOYSA-N 1 2 361.445 4.007 10 30 FIEELO CC(=O)c1ccc(NC(=[NH+]c2cccc(C)c2)n2sc(C)cc2=N)cc1 ZINC000020408150 518297112 /nfs/dbraw/zinc/29/71/12/518297112.db2.gz SQAVLEZLYKDBCJ-UHFFFAOYSA-N 1 2 364.474 4.496 10 30 FIEELO N#CCCCOc1cccc(C[NH2+]Cc2ncc(-c3ccccc3)cn2)c1 ZINC000185867870 1101750845 /nfs/dbraw/zinc/75/08/45/1101750845.db2.gz XRJJCECXOGBXGC-UHFFFAOYSA-N 1 2 358.445 4.116 10 30 FIEELO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000191430646 1101942061 /nfs/dbraw/zinc/94/20/61/1101942061.db2.gz JOQNBWODLPFEJZ-SFHVURJKSA-N 1 2 352.482 4.432 10 30 FIEELO Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N(C)[C@H](C)Cc1ccc(Cl)cc1)CCC2 ZINC000328653384 1104525553 /nfs/dbraw/zinc/52/55/53/1104525553.db2.gz LDEXXIUOCXKXRT-WBVHZDCISA-N 1 2 374.916 4.199 10 30 FIEELO C=CCc1ccccc1OCCn1c(CCCO)[nH+]c2cc(C)c(C)cc21 ZINC000040311065 210044078 /nfs/dbraw/zinc/04/40/78/210044078.db2.gz DAEGTRRCQAEDNL-UHFFFAOYSA-N 1 2 364.489 4.386 10 30 FIEELO Cc1cscc1NC(=O)N1CCC[C@@H](Nc2ccc(N(C)C)[nH+]c2)CC1 ZINC000328636676 571163877 /nfs/dbraw/zinc/16/38/77/571163877.db2.gz OEWBBWRDENFKEE-OAHLLOKOSA-N 1 2 373.526 4.030 10 30 FIEELO C=CCC(O)(CC=C)c1ccc(C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)o1 ZINC000036157233 210171013 /nfs/dbraw/zinc/17/10/13/210171013.db2.gz JTNDWHFWDVRNDI-LJQANCHMSA-N 1 2 371.477 4.394 10 30 FIEELO C=CCC(O)(CC=C)c1ccc(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)o1 ZINC000036157233 210171016 /nfs/dbraw/zinc/17/10/16/210171016.db2.gz JTNDWHFWDVRNDI-LJQANCHMSA-N 1 2 371.477 4.394 10 30 FIEELO Cc1cnn([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccc(F)cc3Cl)C2)c1 ZINC000329169697 1094764391 /nfs/dbraw/zinc/76/43/91/1094764391.db2.gz JSZBQPVNGUXPPI-UKRRQHHQSA-N 1 2 364.852 4.298 10 30 FIEELO Cc1cnn([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccc(F)cc3Cl)C2)c1 ZINC000329169697 1094764396 /nfs/dbraw/zinc/76/43/96/1094764396.db2.gz JSZBQPVNGUXPPI-UKRRQHHQSA-N 1 2 364.852 4.298 10 30 FIEELO CCc1ccc(/N=C2/c3ccccc3N(C[NH+]3CCC(C)CC3)C2=O)cc1 ZINC000105636521 222371967 /nfs/dbraw/zinc/37/19/67/222371967.db2.gz UIRIRNFMFZCOIV-GYHWCHFESA-N 1 2 361.489 4.406 10 30 FIEELO CCCCCCCn1c(CCCCCNC(=O)COC)[nH+]c2ccccc21 ZINC000102163591 222291418 /nfs/dbraw/zinc/29/14/18/222291418.db2.gz PHXVBYLCBLECBJ-UHFFFAOYSA-N 1 2 373.541 4.482 10 30 FIEELO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(C(F)(F)F)cc1 ZINC000182420630 1094123917 /nfs/dbraw/zinc/12/39/17/1094123917.db2.gz KISYDVRQKOIAJT-GFCCVEGCSA-N 1 2 372.350 4.478 10 30 FIEELO C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329041619 1094721315 /nfs/dbraw/zinc/72/13/15/1094721315.db2.gz ONLWHJPQABDLOM-AAEUAGOBSA-N 1 2 360.845 4.066 10 30 FIEELO C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329041619 1094721328 /nfs/dbraw/zinc/72/13/28/1094721328.db2.gz ONLWHJPQABDLOM-AAEUAGOBSA-N 1 2 360.845 4.066 10 30 FIEELO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000191430632 1101942225 /nfs/dbraw/zinc/94/22/25/1101942225.db2.gz JOQNBWODLPFEJZ-GOSISDBHSA-N 1 2 352.482 4.432 10 30 FIEELO Cc1cnn([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccc(F)cc3Cl)C2)c1 ZINC000329169695 1094764656 /nfs/dbraw/zinc/76/46/56/1094764656.db2.gz JSZBQPVNGUXPPI-HIFRSBDPSA-N 1 2 364.852 4.298 10 30 FIEELO Cc1cnn([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccc(F)cc3Cl)C2)c1 ZINC000329169695 1094764662 /nfs/dbraw/zinc/76/46/62/1094764662.db2.gz JSZBQPVNGUXPPI-HIFRSBDPSA-N 1 2 364.852 4.298 10 30 FIEELO Fc1cccc(Cl)c1/C=N\N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000022078525 220376557 /nfs/dbraw/zinc/37/65/57/220376557.db2.gz CWFNGNVLNADUPX-UUYOSTAYSA-N 1 2 366.267 4.284 10 30 FIEELO COc1ccc(C)cc1NC(=[NH+]c1ccc(F)cc1)n1sc(C)cc1=N ZINC000020357156 523816757 /nfs/dbraw/zinc/81/67/57/523816757.db2.gz XTBPGHBQKGTJFQ-UHFFFAOYSA-N 1 2 370.453 4.442 10 30 FIEELO Cc1cscc1NC(=O)N1CCC[C@H](Nc2ccc(N(C)C)[nH+]c2)CC1 ZINC000328636675 571163964 /nfs/dbraw/zinc/16/39/64/571163964.db2.gz OEWBBWRDENFKEE-HNNXBMFYSA-N 1 2 373.526 4.030 10 30 FIEELO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N[C@H]1CCCc2ccccc21 ZINC000328648572 1080682987 /nfs/dbraw/zinc/68/29/87/1080682987.db2.gz IFRFXBDBLNRJFK-FQEVSTJZSA-N 1 2 364.493 4.153 10 30 FIEELO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CC[C@H]2CCC[C@@H]21 ZINC000329630280 1087116693 /nfs/dbraw/zinc/11/66/93/1087116693.db2.gz QTNZJPGFWCFJHB-BEFAXECRSA-N 1 2 350.466 4.306 10 30 FIEELO C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329041622 1094720828 /nfs/dbraw/zinc/72/08/28/1094720828.db2.gz ONLWHJPQABDLOM-WCQYABFASA-N 1 2 360.845 4.066 10 30 FIEELO C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329041622 1094720848 /nfs/dbraw/zinc/72/08/48/1094720848.db2.gz ONLWHJPQABDLOM-WCQYABFASA-N 1 2 360.845 4.066 10 30 FIEELO C=CCN(Cc1[nH+]ccn1Cc1ccccc1F)C(=O)c1cccc(F)c1 ZINC000006723726 263346571 /nfs/dbraw/zinc/34/65/71/263346571.db2.gz HVCMDJXJYULIIS-UHFFFAOYSA-N 1 2 367.399 4.038 10 30 FIEELO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000329362525 1086929167 /nfs/dbraw/zinc/92/91/67/1086929167.db2.gz CVMDXQOAXSYSJH-NRFANRHFSA-N 1 2 350.466 4.109 10 30 FIEELO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CC[C@@H]2CCC[C@@H]21 ZINC000329630283 1087116820 /nfs/dbraw/zinc/11/68/20/1087116820.db2.gz QTNZJPGFWCFJHB-KXBFYZLASA-N 1 2 350.466 4.306 10 30 FIEELO C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329041621 1094721357 /nfs/dbraw/zinc/72/13/57/1094721357.db2.gz ONLWHJPQABDLOM-DGCLKSJQSA-N 1 2 360.845 4.066 10 30 FIEELO C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329041621 1094721374 /nfs/dbraw/zinc/72/13/74/1094721374.db2.gz ONLWHJPQABDLOM-DGCLKSJQSA-N 1 2 360.845 4.066 10 30 FIEELO C=CC[NH+](CC=C)Cc1nc2ccccc2c(NCc2cccs2)n1 ZINC000299757498 518771634 /nfs/dbraw/zinc/77/16/34/518771634.db2.gz IBDBPOITEGWTNR-UHFFFAOYSA-N 1 2 350.491 4.477 10 30 FIEELO C=CCC(O)(CC=C)c1ccc(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)o1 ZINC000036157229 571243877 /nfs/dbraw/zinc/24/38/77/571243877.db2.gz JTNDWHFWDVRNDI-IBGZPJMESA-N 1 2 371.477 4.394 10 30 FIEELO C=CCC(O)(CC=C)c1ccc(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)o1 ZINC000036157229 571243879 /nfs/dbraw/zinc/24/38/79/571243879.db2.gz JTNDWHFWDVRNDI-IBGZPJMESA-N 1 2 371.477 4.394 10 30 FIEELO N#Cc1ccc(-c2nnc(C[N@H+]3CC=C(c4ccccc4F)CC3)o2)cc1 ZINC000127781824 1102736282 /nfs/dbraw/zinc/73/62/82/1102736282.db2.gz YBOYLZCTYSKULQ-UHFFFAOYSA-N 1 2 360.392 4.037 10 30 FIEELO N#Cc1ccc(-c2nnc(C[N@@H+]3CC=C(c4ccccc4F)CC3)o2)cc1 ZINC000127781824 1102736295 /nfs/dbraw/zinc/73/62/95/1102736295.db2.gz YBOYLZCTYSKULQ-UHFFFAOYSA-N 1 2 360.392 4.037 10 30 FIEELO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+][C@H](c2ccc(C)cc2)C2CC2)C1 ZINC000329685941 1087186408 /nfs/dbraw/zinc/18/64/08/1087186408.db2.gz UUNLZSIDWALNBC-TZIWHRDSSA-N 1 2 366.509 4.456 10 30 FIEELO CC1(C)CCc2ccccc2[C@@H]1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000328696546 1104539167 /nfs/dbraw/zinc/53/91/67/1104539167.db2.gz GVLFPQIJXYZEQR-IBGZPJMESA-N 1 2 352.482 4.217 10 30 FIEELO CC1(C)CCc2ccccc2[C@@H]1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000328696546 1104539175 /nfs/dbraw/zinc/53/91/75/1104539175.db2.gz GVLFPQIJXYZEQR-IBGZPJMESA-N 1 2 352.482 4.217 10 30 FIEELO