smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H](C)C[N@H+]1CCc2c3c(c(OC)c(OC)c2C1)CCC3 ZINC000006411715 181338767 /nfs/dbraw/zinc/33/87/67/181338767.db2.gz DRBYCRJHXINHED-CYBMUJFWSA-N 1 1 303.446 3.597 1 0 DHAFMO Cc1ccc(OC[C@H](O)C[N@H+]2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)cc1 ZINC000013524581 181858288 /nfs/dbraw/zinc/85/82/88/181858288.db2.gz NRKMMFZDIURZCA-QKLQHJQFSA-N 1 1 317.473 3.635 1 0 DHAFMO CC[C@@]12CC[N@@H+](CC3CCCC3)C[C@@H]1Oc1ccc(O)cc12 ZINC000026292053 182436823 /nfs/dbraw/zinc/43/68/23/182436823.db2.gz QJYGDLAENIWKNF-OALUTQOASA-N 1 1 301.430 3.697 1 0 DHAFMO CSc1ccc(CNC(=O)[C@]2(C)CCC[N@H+]2CC(C)C)cc1 ZINC000061906911 184194497 /nfs/dbraw/zinc/19/44/97/184194497.db2.gz WVSLIJKWOOJOSZ-SFHVURJKSA-N 1 1 320.502 3.535 3 0 DHAFMO COc1cc2c(cc1OC)[C@H]1c3ccccc3CC[N@@H+]1CCC2 ZINC000003593354 181037853 /nfs/dbraw/zinc/03/78/53/181037853.db2.gz QUQCVEISJLKZPL-HXUWFJFHSA-N 1 1 309.409 3.598 1 0 DHAFMO COc1cc2c(cc1OC)[C@H]1c3ccccc3CC[N@H+]1CCC2 ZINC000003593354 181037855 /nfs/dbraw/zinc/03/78/55/181037855.db2.gz QUQCVEISJLKZPL-HXUWFJFHSA-N 1 1 309.409 3.598 1 0 DHAFMO C[C@@H]1Cn2c(=O)[nH]c3cccc(c32)C[N@@H+]1C/C=C/c1ccccc1 ZINC000006488705 181344848 /nfs/dbraw/zinc/34/48/48/181344848.db2.gz WRLCBOFBNURUFU-RZIFZGNASA-N 1 1 319.408 3.659 1 0 DHAFMO C[C@@H]1Cn2c(=O)[nH]c3cccc(c32)C[N@H+]1C/C=C/c1ccccc1 ZINC000006488705 181344851 /nfs/dbraw/zinc/34/48/51/181344851.db2.gz WRLCBOFBNURUFU-RZIFZGNASA-N 1 1 319.408 3.659 1 0 DHAFMO CCOc1ccc2c(c1)[C@@]1(C)CC[N@H+](CC3CC3)[C@@H](C2=O)[C@@H]1C ZINC000058543626 184121930 /nfs/dbraw/zinc/12/19/30/184121930.db2.gz VVPXGTRPIKVDOV-VIZZQPHQSA-N 1 1 313.441 3.660 1 0 DHAFMO CCOc1ccc2c(c1)[C@@]1(C)CC[N@@H+](CC3CC3)[C@@H](C2=O)[C@@H]1C ZINC000058543626 184121932 /nfs/dbraw/zinc/12/19/32/184121932.db2.gz VVPXGTRPIKVDOV-VIZZQPHQSA-N 1 1 313.441 3.660 1 0 DHAFMO c1ccc([C@H]2CC[C@@]3(OCC[NH2+][C@@H]3c3ccccc3)OC2)cc1 ZINC000004634612 181130505 /nfs/dbraw/zinc/13/05/05/181130505.db2.gz HHBYAZNEZQQRNN-XUVXKRRUSA-N 1 1 309.409 3.638 1 0 DHAFMO Cc1cc(C)c2c([nH+]1)N[C@@H](c1cccc(Cl)c1Cl)NC2=O ZINC000040897157 183147027 /nfs/dbraw/zinc/14/70/27/183147027.db2.gz OKGDZRXYHAXOAC-CYBMUJFWSA-N 1 1 322.195 3.859 1 0 DHAFMO CC(C)NC(=O)[C@@]1(C)CCC[N@H+]1Cc1csc2ccccc12 ZINC000061908983 184194532 /nfs/dbraw/zinc/19/45/32/184194532.db2.gz WXLJBQVCCUSCLT-GOSISDBHSA-N 1 1 316.470 3.780 3 0 DHAFMO CC1(C)[C@@H]2C[C@H]1C(CN1CC[NH+](Cc3ccccc3)CC1)=CC2 ZINC000019633310 563416020 /nfs/dbraw/zinc/41/60/20/563416020.db2.gz VYDSERDQKGBGPN-PMACEKPBSA-N 1 1 310.485 3.797 1 0 DHAFMO Cc1nc2c(ccc3c2[C@@]2(C)CC[N@@H+](CC4CC4)[C@@H](C3)[C@@H]2C)[nH]1 ZINC000040829067 183138075 /nfs/dbraw/zinc/13/80/75/183138075.db2.gz WNNMSXHAHUUIPN-JTBRQZTESA-N 1 1 309.457 3.806 1 0 DHAFMO Cc1nc2ccc3c(c2[nH]1)[C@@]1(C)CC[N@H+](CC2CC2)[C@@H](C3)[C@@H]1C ZINC000040829067 183138076 /nfs/dbraw/zinc/13/80/76/183138076.db2.gz WNNMSXHAHUUIPN-JTBRQZTESA-N 1 1 309.457 3.806 1 0 DHAFMO Cc1nc2ccc3c(c2[nH]1)[C@@]1(C)CC[N@@H+](CC2CC2)[C@@H](C3)[C@@H]1C ZINC000040829067 183138078 /nfs/dbraw/zinc/13/80/78/183138078.db2.gz WNNMSXHAHUUIPN-JTBRQZTESA-N 1 1 309.457 3.806 1 0 DHAFMO c1ccc(C[N@H+]2CCc3c(ccnc3Nc3cccnc3)C2)cc1 ZINC000139955948 186024443 /nfs/dbraw/zinc/02/44/43/186024443.db2.gz GWNZQLUGXZVPTG-UHFFFAOYSA-N 1 1 316.408 3.779 1 0 DHAFMO CC(C)(C)c1cccc(-c2nc3ccc(C(N)=[NH2+])cc3[nH]2)c1O ZINC000000007706 180669303 /nfs/dbraw/zinc/66/93/03/180669303.db2.gz DICPPDRBLOSCQJ-UHFFFAOYSA-N 1 1 308.385 3.517 1 0 DHAFMO C[C@H]1Cn2c(=O)[nH]c3cccc(c32)C[N@@H+]1C/C=C/c1ccccc1 ZINC000006495337 181345569 /nfs/dbraw/zinc/34/55/69/181345569.db2.gz WRLCBOFBNURUFU-PPYMECGQSA-N 1 1 319.408 3.659 1 0 DHAFMO C[C@H]1Cn2c(=O)[nH]c3cccc(c32)C[N@H+]1C/C=C/c1ccccc1 ZINC000006495337 181345571 /nfs/dbraw/zinc/34/55/71/181345571.db2.gz WRLCBOFBNURUFU-PPYMECGQSA-N 1 1 319.408 3.659 1 0 DHAFMO Cc1ccc(C[N@@H+](C)CCCn2c3ccccc3oc2=O)c(C)c1 ZINC000043059918 183332814 /nfs/dbraw/zinc/33/28/14/183332814.db2.gz OZGFIYXCQMJEGG-UHFFFAOYSA-N 1 1 324.424 3.733 1 0 DHAFMO CCNC(=O)[C@@]1(C)CCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000061897498 184193571 /nfs/dbraw/zinc/19/35/71/184193571.db2.gz PMZSDVJZFRJZFI-FQEVSTJZSA-N 1 1 310.441 3.578 3 0 DHAFMO C[N@H+]1CC[C@](C)(C(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000061925580 184195833 /nfs/dbraw/zinc/19/58/33/184195833.db2.gz MGGZZSBYQAKGNA-IBGZPJMESA-N 1 1 310.397 3.759 3 0 DHAFMO CCC(=O)N(c1ccccc1)[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000003619633 181042091 /nfs/dbraw/zinc/04/20/91/181042091.db2.gz HTOGMSKHUWQFKF-HXUWFJFHSA-N 1 1 322.452 3.747 1 0 DHAFMO CCCNC(=O)[C@]1(C)CCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000061905647 184193995 /nfs/dbraw/zinc/19/39/95/184193995.db2.gz PMHJPBSCZYIOFR-OAQYLSRUSA-N 1 1 324.468 3.968 3 0 DHAFMO CCNC(=O)[C@]1(C)CCC[N@@H+](Cc2csc3ccccc23)C1 ZINC000061928619 184196319 /nfs/dbraw/zinc/19/63/19/184196319.db2.gz WSFXBYHVQIHXEG-GOSISDBHSA-N 1 1 316.470 3.640 3 0 DHAFMO COc1ccc(-c2ccc(N3CC[C@@H]4C[N@@H+](C)C[C@@H]43)cc2)cc1 ZINC000062178524 184212372 /nfs/dbraw/zinc/21/23/72/184212372.db2.gz HCKNLNORNOIIQO-XLIONFOSSA-N 1 1 308.425 3.503 1 0 DHAFMO C[N@H+]1CCC[C@@H](COC(=O)c2ccccc2-c2ccccc2)C1 ZINC000082150290 192362621 /nfs/dbraw/zinc/36/26/21/192362621.db2.gz STHCUWXBGLTFDI-MRXNPFEDSA-N 1 1 309.409 3.852 1 0 DHAFMO COc1cc2c(cc1OC)[C@H]1[C@H]3CCCC[C@@H]3CC[N@H+]1CC2 ZINC000005955846 181300815 /nfs/dbraw/zinc/30/08/15/181300815.db2.gz JOBJVIZEZUJEBB-FRIZHTMISA-N 1 1 301.430 3.813 1 0 DHAFMO CCNC(=O)[C@]1(C)CCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000061897497 184193748 /nfs/dbraw/zinc/19/37/48/184193748.db2.gz PMZSDVJZFRJZFI-HXUWFJFHSA-N 1 1 310.441 3.578 3 0 DHAFMO Cc1ccc2cc(NC(=O)[C@]3(C)CC[N@@H+]3CC(C)C)ccc2n1 ZINC000061907090 184194654 /nfs/dbraw/zinc/19/46/54/184194654.db2.gz QMJATAHUAZLLIN-IBGZPJMESA-N 1 1 311.429 3.602 3 0 DHAFMO c1ccc(C2(C[N@H+]3CCNC[C@@H]3CC3CCCCC3)CC2)cc1 ZINC000061948896 184198518 /nfs/dbraw/zinc/19/85/18/184198518.db2.gz OZSMWMMJDUQZMA-FQEVSTJZSA-N 1 1 312.501 3.962 3 0 DHAFMO c1ccc(C2(C[N@@H+]3CCNC[C@@H]3CC3CCCCC3)CC2)cc1 ZINC000061948896 184198520 /nfs/dbraw/zinc/19/85/20/184198520.db2.gz OZSMWMMJDUQZMA-FQEVSTJZSA-N 1 1 312.501 3.962 3 0 DHAFMO Fc1ccc(-c2[nH]c([C@H]3CCC[NH2+]C3)nc2-c2ccncc2)cc1 ZINC000008536524 181562352 /nfs/dbraw/zinc/56/23/52/181562352.db2.gz KLRATASOGXHMKV-HNNXBMFYSA-N 1 1 322.387 3.745 1 0 DHAFMO C[N@@H+](CCc1ccc(Cl)c(Cl)c1)CCN1CCCCC1 ZINC000022924867 182340948 /nfs/dbraw/zinc/34/09/48/182340948.db2.gz DIQGETYKBHZBFV-UHFFFAOYSA-N 1 1 315.288 3.954 1 0 DHAFMO C[N@H+](CCc1ccc(Cl)c(Cl)c1)CCN1CCCCC1 ZINC000022924867 182340951 /nfs/dbraw/zinc/34/09/51/182340951.db2.gz DIQGETYKBHZBFV-UHFFFAOYSA-N 1 1 315.288 3.954 1 0 DHAFMO CCCNC(=O)[C@]1(C)CCC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000061904275 184193941 /nfs/dbraw/zinc/19/39/41/184193941.db2.gz DCKBALBZWBKFRH-LJQANCHMSA-N 1 1 314.429 3.561 3 0 DHAFMO Cc1ccc(NC(=O)[C@@]2(C)CC[N@H+]2C2Cc3ccccc3C2)cc1 ZINC000061906346 184194205 /nfs/dbraw/zinc/19/42/05/184194205.db2.gz RINDRUVVDTYUSK-OAQYLSRUSA-N 1 1 320.436 3.565 3 0 DHAFMO CCCNC(=O)[C@@]1(C)CC[N@@H+](Cc2csc3ccccc23)C1 ZINC000061906941 184194834 /nfs/dbraw/zinc/19/48/34/184194834.db2.gz OYAAOSYOCWCKLF-SFHVURJKSA-N 1 1 316.470 3.640 3 0 DHAFMO Oc1cccc(CC[N@@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)c1 ZINC000085486972 560076074 /nfs/dbraw/zinc/07/60/74/560076074.db2.gz WXMGWGKVMAALPB-VQTJNVASSA-N 1 1 311.425 3.523 1 0 biogenic,in-vitro DHAFMO Cc1cc(NCC[N@H+]2[C@H]3CC[C@@H]2CCC3)nnc1-c1ccccc1 ZINC000013904683 181909251 /nfs/dbraw/zinc/90/92/51/181909251.db2.gz NBEPNANMOZKJJA-HDICACEKSA-N 1 1 322.456 3.881 1 0 DHAFMO CCNC(=O)[C@]1(C)CC[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC000061903875 184194313 /nfs/dbraw/zinc/19/43/13/184194313.db2.gz HKXJTGYWDGSIIN-OAQYLSRUSA-N 1 1 322.452 3.702 3 0 DHAFMO CCCNC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(C)c3ccccc23)C1 ZINC000061896299 184193004 /nfs/dbraw/zinc/19/30/04/184193004.db2.gz DOMMYSLFBVFSRU-NRFANRHFSA-N 1 1 324.468 3.886 3 0 DHAFMO Cc1cccc(OC[C@@H](O)C[N@H+]2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c1 ZINC000003381029 181013361 /nfs/dbraw/zinc/01/33/61/181013361.db2.gz ANHCGXPONAGNRS-ZWOKBUDYSA-N 1 1 317.473 3.635 1 0 DHAFMO CC(C)(C)c1ccc(Cc2cccc3[nH+]c(N)nc(N)c23)cc1 ZINC000005881979 181292727 /nfs/dbraw/zinc/29/27/27/181292727.db2.gz VMSWRYCIVJAKAA-UHFFFAOYSA-N 1 1 306.413 3.683 1 0 DHAFMO CC[N@H+]1CCC[C@H]1CN(C)CCc1ccc(Cl)c(Cl)c1 ZINC000022935746 182342201 /nfs/dbraw/zinc/34/22/01/182342201.db2.gz PRSIMIPYQSHJOR-AWEZNQCLSA-N 1 1 315.288 3.952 1 0 DHAFMO O=C(NC1CCCC1)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000058012567 184066594 /nfs/dbraw/zinc/06/65/94/184066594.db2.gz ZOANNWJCJCKKQO-MRXNPFEDSA-N 1 1 306.837 3.536 1 0 DHAFMO CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C)c3ccccc23)CC1 ZINC000061926563 184196122 /nfs/dbraw/zinc/19/61/22/184196122.db2.gz JQBVIJUDUHZUBT-KRWDZBQOSA-N 1 1 324.468 3.886 3 0 DHAFMO CSc1ccccc1CNC(=O)[C@@]1(C)CCC[N@H+]1CC(C)C ZINC000061929805 184196246 /nfs/dbraw/zinc/19/62/46/184196246.db2.gz ISPWZSXFLJHLIY-GOSISDBHSA-N 1 1 320.502 3.535 3 0 DHAFMO Fc1ccc(-c2csc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)n2)cc1F ZINC000102662755 526315211 /nfs/dbraw/zinc/31/52/11/526315211.db2.gz DHGHGALHAUPQNL-ABAIWWIYSA-N 1 1 322.380 3.624 1 0 DHAFMO COC[C@]12C[C@@]1(c1ccc(Cl)c(Cl)c1)CC[N@@H+](C)C2 ZINC000096901219 185390435 /nfs/dbraw/zinc/39/04/35/185390435.db2.gz LNWGBLPMTUFHJM-HUUCEWRRSA-N 1 1 300.229 3.603 1 0 DHAFMO CCCNC(=O)[C@]1(C)CC[N@@H+](Cc2csc3ccccc23)C1 ZINC000061906940 184194583 /nfs/dbraw/zinc/19/45/83/184194583.db2.gz OYAAOSYOCWCKLF-GOSISDBHSA-N 1 1 316.470 3.640 3 0 DHAFMO CC(C)NC(=O)[C@]1(C)CCC[N@H+]1Cc1csc2ccccc12 ZINC000061908982 184194594 /nfs/dbraw/zinc/19/45/94/184194594.db2.gz WXLJBQVCCUSCLT-SFHVURJKSA-N 1 1 316.470 3.780 3 0 DHAFMO CC(C)[N@H+]1CC[C@@](C)(C(=O)Nc2ccc(-n3cccc3)cc2)C1 ZINC000061927141 184196336 /nfs/dbraw/zinc/19/63/36/184196336.db2.gz MSLYGGXDGFQKMO-LJQANCHMSA-N 1 1 311.429 3.536 3 0 DHAFMO Nc1nc(N)c2cc(Oc3ccc(Cl)c(Cl)c3)ccc2[nH+]1 ZINC000143993899 186034243 /nfs/dbraw/zinc/03/42/43/186034243.db2.gz GQSQIBKMJYYCSD-UHFFFAOYSA-N 1 1 321.167 3.893 1 0 DHAFMO CC(C)[C@@H](c1nnnn1C1CCCC1)[N@@H+](C)C1CCCCC1 ZINC000004190514 181083956 /nfs/dbraw/zinc/08/39/56/181083956.db2.gz VZBFECGBKIHSLU-INIZCTEOSA-N 1 1 305.470 3.750 3 0 DHAFMO CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC[C@@H](O)C[N@H+]1CCC[C@@H](C)C1 ZINC000005730007 181277921 /nfs/dbraw/zinc/27/79/21/181277921.db2.gz FMTHLQDBSCILBQ-APAFKAMOSA-N 1 1 311.510 3.557 1 0 DHAFMO CCC[N@@H+]1Cc2cccc3[nH]c(=O)n(c32)[C@H](c2ccccc2)C1 ZINC000006380282 181335907 /nfs/dbraw/zinc/33/59/07/181335907.db2.gz KNWKLRLXJUXIEP-KRWDZBQOSA-N 1 1 307.397 3.557 1 0 DHAFMO c1[nH]c2ncccc2c1CC[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000038538545 183001881 /nfs/dbraw/zinc/00/18/81/183001881.db2.gz RRNSUOWXTVZIKJ-UHFFFAOYSA-N 1 1 303.409 3.895 1 0 DHAFMO CC(C)[C@H]1N2CCc3c4ccccc4[nH]c3[C@H]2[C@H]2CCCC[N@H+]21 ZINC000019328390 182115548 /nfs/dbraw/zinc/11/55/48/182115548.db2.gz KAPLWYIKWWQMQW-MISYRCLQSA-N 1 1 309.457 3.917 1 0 DHAFMO CC(C)NC(=O)[C@@]1(C)CC[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000061907709 184194689 /nfs/dbraw/zinc/19/46/89/184194689.db2.gz PTYDGCPGLCCOCR-OAQYLSRUSA-N 1 1 322.452 3.843 3 0 DHAFMO c1csc(C[N@H+]2CCC[C@@H](Nc3ccc4n[nH]cc4c3)C2)c1 ZINC000028640368 581092375 /nfs/dbraw/zinc/09/23/75/581092375.db2.gz BTFXRESVGZYZQN-OAHLLOKOSA-N 1 1 312.442 3.701 1 0 DHAFMO CO[C@H]1O[C@@]2(CC[N@@H+](CCc3ccccc3)C2)c2ccccc21 ZINC000084730038 192462483 /nfs/dbraw/zinc/46/24/83/192462483.db2.gz NFJZXOGXNFLZDN-VQTJNVASSA-N 1 1 309.409 3.506 1 0 DHAFMO COc1ccccc1[C@@H]1CC[C@@]2(CCC[NH2+][C@H]2c2ccccc2)N1 ZINC000022939065 182343508 /nfs/dbraw/zinc/34/35/08/182343508.db2.gz LKTJRLOXOYSXCH-SESVDKBCSA-N 1 1 322.452 3.983 1 0 DHAFMO CC1(C)C[C@@]2(C[N@@H+](Cc3ccccc3)CCO2)c2ccccc2O1 ZINC000040979114 183154581 /nfs/dbraw/zinc/15/45/81/183154581.db2.gz QQYBBCAZZVHXCC-OAQYLSRUSA-N 1 1 323.436 3.975 1 0 DHAFMO CC(=O)c1cccc(-c2ccc(N3CC[C@@H]4C[N@H+](C)C[C@@H]43)cc2)c1 ZINC000043013161 183327779 /nfs/dbraw/zinc/32/77/79/183327779.db2.gz PLMACRZMDZRVLD-CTNGQTDRSA-N 1 1 320.436 3.697 1 0 DHAFMO COc1cc2c(cc1OC)[C@H]1c3ccccc3CCC[N@H+]1CC2 ZINC000006403853 181338574 /nfs/dbraw/zinc/33/85/74/181338574.db2.gz QOFWDJOANANGBO-HXUWFJFHSA-N 1 1 309.409 3.598 1 0 DHAFMO COc1cc2c(cc1OC)[C@H]1c3ccccc3CCC[N@@H+]1CC2 ZINC000006403853 181338575 /nfs/dbraw/zinc/33/85/75/181338575.db2.gz QOFWDJOANANGBO-HXUWFJFHSA-N 1 1 309.409 3.598 1 0 DHAFMO CC(C)C[N@H+]1CCC[C@@H]1c1ccc(C(=O)N2CCCC2)s1 ZINC000023479078 182361272 /nfs/dbraw/zinc/36/12/72/182361272.db2.gz WDELSTYPHASMKA-CQSZACIVSA-N 1 1 306.475 3.777 1 0 DHAFMO CCNC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000061906276 184193989 /nfs/dbraw/zinc/19/39/89/184193989.db2.gz NSNZDMGONHUPCD-OAQYLSRUSA-N 1 1 322.452 3.702 3 0 DHAFMO Cc1nc2cc(NC(=O)[C@@]3(C)CCC[N@H+](C(C)C)C3)ccc2o1 ZINC000061906956 184194668 /nfs/dbraw/zinc/19/46/68/184194668.db2.gz SGWBJSYGLRWJNH-SFHVURJKSA-N 1 1 315.417 3.585 3 0 DHAFMO CC1(C)[C@H]2C[C@@H]1C(CN1CC[NH+](Cc3ccccc3)CC1)=CC2 ZINC000019633314 563416336 /nfs/dbraw/zinc/41/63/36/563416336.db2.gz VYDSERDQKGBGPN-WOJBJXKFSA-N 1 1 310.485 3.797 1 0 DHAFMO C[C@@H]1Cn2c(=O)[nH]c3cccc(c32)C[N@@H+]1C/C=C\c1ccccc1 ZINC000006488710 181345035 /nfs/dbraw/zinc/34/50/35/181345035.db2.gz WRLCBOFBNURUFU-WUKHSURWSA-N 1 1 319.408 3.659 1 0 DHAFMO C[C@@H]1Cn2c(=O)[nH]c3cccc(c32)C[N@H+]1C/C=C\c1ccccc1 ZINC000006488710 181345036 /nfs/dbraw/zinc/34/50/36/181345036.db2.gz WRLCBOFBNURUFU-WUKHSURWSA-N 1 1 319.408 3.659 1 0 DHAFMO COc1ccccc1-c1cn(-c2ccccc2)c2nc[nH+]c(N)c12 ZINC000040897858 183147161 /nfs/dbraw/zinc/14/71/61/183147161.db2.gz FJQHMNKHAXBWDI-UHFFFAOYSA-N 1 1 316.364 3.678 1 0 DHAFMO CCCNC(=O)[C@@]1(C)CCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000061905648 184194073 /nfs/dbraw/zinc/19/40/73/184194073.db2.gz PMHJPBSCZYIOFR-NRFANRHFSA-N 1 1 324.468 3.968 3 0 DHAFMO CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C)c3ccccc23)CC1 ZINC000061926562 184196299 /nfs/dbraw/zinc/19/62/99/184196299.db2.gz JQBVIJUDUHZUBT-QGZVFWFLSA-N 1 1 324.468 3.886 3 0 DHAFMO CCCNC(=O)[C@]1(C)CCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000061930949 184196332 /nfs/dbraw/zinc/19/63/32/184196332.db2.gz CJOLBZMODWQBEE-OAQYLSRUSA-N 1 1 324.468 3.968 3 0 DHAFMO Cc1ccc(-c2cc3c(nc(N)[nH+]c3N)n2-c2ccccc2)cc1 ZINC000064447611 184297522 /nfs/dbraw/zinc/29/75/22/184297522.db2.gz FEEKOFYBCPVXEA-UHFFFAOYSA-N 1 1 315.380 3.560 1 0 DHAFMO COCC[N@H+]1CC=CC[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000095584141 185381809 /nfs/dbraw/zinc/38/18/09/185381809.db2.gz RZPGXWQFZWSYES-ZDUSSCGKSA-N 1 1 300.229 3.985 1 0 DHAFMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@]1(OC(=O)c1ccco1)c1ccccc1 ZINC000004776407 181150879 /nfs/dbraw/zinc/15/08/79/181150879.db2.gz HGXBXQXWBLWWHO-ZRGWGRIASA-N 1 1 313.397 3.692 2 0 DHAFMO CCNC(=O)[C@@]1(C)CC[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC000061903876 184194083 /nfs/dbraw/zinc/19/40/83/184194083.db2.gz HKXJTGYWDGSIIN-NRFANRHFSA-N 1 1 322.452 3.702 3 0 DHAFMO CC(C)NC(=O)[C@]1(C)CC[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000061907708 184194731 /nfs/dbraw/zinc/19/47/31/184194731.db2.gz PTYDGCPGLCCOCR-NRFANRHFSA-N 1 1 322.452 3.843 3 0 DHAFMO Cc1ccc(NC(=O)[C@]2(C)CC[N@H+]2CCc2ccccc2)cc1 ZINC000061896455 184193124 /nfs/dbraw/zinc/19/31/24/184193124.db2.gz LZTGSRKYTSOSAV-FQEVSTJZSA-N 1 1 308.425 3.641 3 0 DHAFMO COc1ccc2c(c1)CC[N@@H+]1CCCc3ccc(OC)cc3[C@H]21 ZINC000006484819 181344996 /nfs/dbraw/zinc/34/49/96/181344996.db2.gz VECFKPDPKZLUIV-FQEVSTJZSA-N 1 1 309.409 3.598 1 0 DHAFMO COc1ccc2c(c1)CC[N@H+]1CCCc3ccc(OC)cc3[C@H]21 ZINC000006484819 181344999 /nfs/dbraw/zinc/34/49/99/181344999.db2.gz VECFKPDPKZLUIV-FQEVSTJZSA-N 1 1 309.409 3.598 1 0 DHAFMO CCN1CC[N@@H+](C(C)C)[C@@H]2CCn3c4ccccc4c(C)c3[C@@H]21 ZINC000022851030 182336686 /nfs/dbraw/zinc/33/66/86/182336686.db2.gz WXNVFYIBELASJW-UYAOXDASSA-N 1 1 311.473 3.809 1 0 DHAFMO Cc1ccc(N(C)c2[nH+]c(N)nc3[nH]c4ccccc4c32)cc1 ZINC000096923695 185391729 /nfs/dbraw/zinc/39/17/29/185391729.db2.gz VZFXGHXZPGGGJM-UHFFFAOYSA-N 1 1 303.369 3.770 1 0 DHAFMO C[N@H+]1CC[C@@]2(CCCc3ccccc3)c3cc(O)ccc3O[C@H]2C1 ZINC000096927287 185391899 /nfs/dbraw/zinc/39/18/99/185391899.db2.gz GIVDJBBSPVWSPW-SFTDATJTSA-N 1 1 323.436 3.749 1 0 DHAFMO Oc1ccc2[nH]c(C[NH+]3CCC(Cc4ccccc4)CC3)nc2c1 ZINC000003820050 181047136 /nfs/dbraw/zinc/04/71/36/181047136.db2.gz NPFKLNZJQFUMPY-UHFFFAOYSA-N 1 1 321.424 3.723 1 0 DHAFMO CC[N@H+]1CCC[C@@H]1CN(C)CCc1ccc(Cl)c(Cl)c1 ZINC000022448608 182321717 /nfs/dbraw/zinc/32/17/17/182321717.db2.gz PRSIMIPYQSHJOR-CQSZACIVSA-N 1 1 315.288 3.952 1 0 DHAFMO C[N@@H+](CCc1ccc(Cl)c(Cl)c1)[C@H]1CN2CCC1CC2 ZINC000022940727 182343622 /nfs/dbraw/zinc/34/36/22/182343622.db2.gz JRFSCZSOPXNVMS-INIZCTEOSA-N 1 1 313.272 3.562 1 0 DHAFMO CN(CCc1ccc(Cl)c(Cl)c1)[C@H]1C[NH+]2CCC1CC2 ZINC000022940727 182343623 /nfs/dbraw/zinc/34/36/23/182343623.db2.gz JRFSCZSOPXNVMS-INIZCTEOSA-N 1 1 313.272 3.562 1 0 DHAFMO C[N@H+]1CC[C@@](C)(C(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000061925581 184195910 /nfs/dbraw/zinc/19/59/10/184195910.db2.gz MGGZZSBYQAKGNA-LJQANCHMSA-N 1 1 310.397 3.759 3 0 DHAFMO c1cc(C[N@H+]2CCC[C@@H](Nc3ccc4n[nH]cc4c3)C2)cs1 ZINC000028640644 581092357 /nfs/dbraw/zinc/09/23/57/581092357.db2.gz MBEYXNMHPBPYSU-MRXNPFEDSA-N 1 1 312.442 3.701 1 0 DHAFMO CC(C)[C@H](c1nnnn1C1CCCC1)[N@@H+](C)C1CCCCC1 ZINC000004190516 181083998 /nfs/dbraw/zinc/08/39/98/181083998.db2.gz VZBFECGBKIHSLU-MRXNPFEDSA-N 1 1 305.470 3.750 3 0 DHAFMO CCC[N@@H+]1Cc2cccc3[nH]c(=O)n(c32)[C@@H](c2ccccc2)C1 ZINC000006380288 181335826 /nfs/dbraw/zinc/33/58/26/181335826.db2.gz KNWKLRLXJUXIEP-QGZVFWFLSA-N 1 1 307.397 3.557 1 0 DHAFMO COc1cc2c(cc1OC)[C@H]1CCc3ccccc3C[N@@H+]1CC2 ZINC000006403843 181338510 /nfs/dbraw/zinc/33/85/10/181338510.db2.gz BOGOAVSISCSENG-GOSISDBHSA-N 1 1 309.409 3.749 1 0 DHAFMO COc1cc2c(cc1OC)[C@H]1CCc3ccccc3C[N@H+]1CC2 ZINC000006403843 181338512 /nfs/dbraw/zinc/33/85/12/181338512.db2.gz BOGOAVSISCSENG-GOSISDBHSA-N 1 1 309.409 3.749 1 0 DHAFMO CN1CC[N@@H+](C)[C@@H](c2c3ccccc3[nH]c2-c2ccccc2)C1 ZINC000022941785 182343703 /nfs/dbraw/zinc/34/37/03/182343703.db2.gz SLAYQEHIFVRKNL-GOSISDBHSA-N 1 1 305.425 3.753 1 0 DHAFMO CN1CC[N@H+](C)C[C@@H]1c1c2ccccc2[nH]c1-c1ccccc1 ZINC000022941785 182343705 /nfs/dbraw/zinc/34/37/05/182343705.db2.gz SLAYQEHIFVRKNL-GOSISDBHSA-N 1 1 305.425 3.753 1 0 DHAFMO CN1CC[N@@H+](C)C[C@@H]1c1c2ccccc2[nH]c1-c1ccccc1 ZINC000022941785 182343706 /nfs/dbraw/zinc/34/37/06/182343706.db2.gz SLAYQEHIFVRKNL-GOSISDBHSA-N 1 1 305.425 3.753 1 0 DHAFMO C[N@@H+](CCCCn1c2ccccc2oc1=O)Cc1ccccc1 ZINC000043078634 183334957 /nfs/dbraw/zinc/33/49/57/183334957.db2.gz JDXSRQPAGOUKHA-UHFFFAOYSA-N 1 1 310.397 3.507 1 0 DHAFMO CCCNC(=O)[C@@]1(C)CCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000061930951 184196307 /nfs/dbraw/zinc/19/63/07/184196307.db2.gz CJOLBZMODWQBEE-NRFANRHFSA-N 1 1 324.468 3.968 3 0 DHAFMO CSc1ccccc1CNC(=O)[C@]1(C)CCC[N@H+]1CC(C)C ZINC000061929804 184196405 /nfs/dbraw/zinc/19/64/05/184196405.db2.gz ISPWZSXFLJHLIY-SFHVURJKSA-N 1 1 320.502 3.535 3 0 DHAFMO Nc1nc(N)c2cc(Oc3cc(Cl)cc(Cl)c3)ccc2[nH+]1 ZINC000143994124 186034450 /nfs/dbraw/zinc/03/44/50/186034450.db2.gz FHGBLYDMIZHBTL-UHFFFAOYSA-N 1 1 321.167 3.893 1 0 DHAFMO CN(C)CC[N@H+]1CC[C@H]2c3ccccc3[C@H](c3ccccc3)[C@H]2C1 ZINC000150190204 186055362 /nfs/dbraw/zinc/05/53/62/186055362.db2.gz UTRAJSIWKIUCHO-BVSLBCMMSA-N 1 1 320.480 3.799 1 0 DHAFMO CCC(=CC[N@H+]1Cc2cc(C)cc3[nH]c(=O)n(c32)C[C@@H]1C)CC ZINC000005964747 181301641 /nfs/dbraw/zinc/30/16/41/181301641.db2.gz FRQXZJLDAFHXAZ-AWEZNQCLSA-N 1 1 313.445 3.589 1 0 DHAFMO CC(C)C[N@H+]1CCC[C@H]1c1ccc(C(=O)N2CCCC2)s1 ZINC000023479080 182361300 /nfs/dbraw/zinc/36/13/00/182361300.db2.gz WDELSTYPHASMKA-AWEZNQCLSA-N 1 1 306.475 3.777 1 0 DHAFMO O=C1CCC(c2ccc(Nc3cc[nH+]c4ccccc34)cc2)=NN1 ZINC000040466961 183072764 /nfs/dbraw/zinc/07/27/64/183072764.db2.gz MIDVJHIHLJVOAW-UHFFFAOYSA-N 1 1 316.364 3.593 1 0 DHAFMO CSc1ccc(CNC(=O)[C@@]2(C)CCC[N@H+]2CC(C)C)cc1 ZINC000061906912 184194701 /nfs/dbraw/zinc/19/47/01/184194701.db2.gz WVSLIJKWOOJOSZ-GOSISDBHSA-N 1 1 320.502 3.535 3 0 DHAFMO Cc1ccc(-c2cc3c(nc[nH+]c3N)n2-c2ccccc2)cc1 ZINC000064454082 184297615 /nfs/dbraw/zinc/29/76/15/184297615.db2.gz MRXPHCHZZBUXKA-UHFFFAOYSA-N 1 1 300.365 3.978 1 0 DHAFMO COc1cccc(-c2cc3cc(OC)c(OC)cc3c(N)[nH+]2)c1 ZINC000064560016 184299694 /nfs/dbraw/zinc/29/96/94/184299694.db2.gz RVFMVCRQFPEMRL-UHFFFAOYSA-N 1 1 310.353 3.510 1 0 DHAFMO c1cc(C[N@H+]2CCC[C@H](Nc3ccc4n[nH]cc4c3)C2)cs1 ZINC000028640647 581092309 /nfs/dbraw/zinc/09/23/09/581092309.db2.gz MBEYXNMHPBPYSU-INIZCTEOSA-N 1 1 312.442 3.701 1 0 DHAFMO Nc1cc2c(c[nH+]1)[nH]c1c2cccc1NC(=O)c1ccccc1 ZINC000095554517 185379800 /nfs/dbraw/zinc/37/98/00/185379800.db2.gz SXMMQPZNRLOXAI-UHFFFAOYSA-N 1 1 302.337 3.551 1 0 DHAFMO COCC[N@@H+](Cc1coc(-c2cccc(C)c2)n1)C(C)(C)C ZINC000072183510 191072777 /nfs/dbraw/zinc/07/27/77/191072777.db2.gz KZCFHKSCUJGERF-UHFFFAOYSA-N 1 1 302.418 3.897 1 0 DHAFMO Brc1ccccc1-c1nc(C[N@H+]2CC=CCC2)co1 ZINC000072180547 191072746 /nfs/dbraw/zinc/07/27/46/191072746.db2.gz MHLBYJDAONKZGT-UHFFFAOYSA-N 1 1 319.202 3.866 1 0 DHAFMO Brc1ccccc1-c1nc(C[N@@H+]2CC=CCC2)co1 ZINC000072180547 191072747 /nfs/dbraw/zinc/07/27/47/191072747.db2.gz MHLBYJDAONKZGT-UHFFFAOYSA-N 1 1 319.202 3.866 1 0 DHAFMO Fc1ccc(-c2[nH]c([C@@H]3CCC[NH2+]C3)nc2-c2ccncc2)cc1 ZINC000004617902 181129731 /nfs/dbraw/zinc/12/97/31/181129731.db2.gz KLRATASOGXHMKV-OAHLLOKOSA-N 1 1 322.387 3.745 1 0 DHAFMO CC(C)[N@H+]1CC[C@](C)(C(=O)Nc2ccc(-n3cccc3)cc2)C1 ZINC000061927142 184196176 /nfs/dbraw/zinc/19/61/76/184196176.db2.gz MSLYGGXDGFQKMO-IBGZPJMESA-N 1 1 311.429 3.536 3 0 DHAFMO Cc1ccccc1-c1cccc([C@@H]2C[C@H]3[C@H](CON3C)C[N@H+]2C)c1 ZINC000061942314 184197256 /nfs/dbraw/zinc/19/72/56/184197256.db2.gz ALGBRPBVRIIBPO-JBACZVJFSA-N 1 1 322.452 3.900 3 0 DHAFMO CCC[N@@H+](C)CCC1=C(Cc2cnccn2)c2ccccc2C1 ZINC000066097646 184388611 /nfs/dbraw/zinc/38/86/11/184388611.db2.gz MSMKOTVNTGCTFQ-UHFFFAOYSA-N 1 1 307.441 3.761 1 0 DHAFMO CCCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccccc1C(F)(F)F ZINC000096927318 185392113 /nfs/dbraw/zinc/39/21/13/185392113.db2.gz HHKSHLVSGQWALT-CQSZACIVSA-N 1 1 314.351 3.908 1 0 DHAFMO C[N@H+]1CCc2cc(Cl)c3n[nH]cc3c2[C@@H](c2ccccc2)C1 ZINC000003820068 181047256 /nfs/dbraw/zinc/04/72/56/181047256.db2.gz LVAOPAQJSCZOOM-OAHLLOKOSA-N 1 1 311.816 3.836 1 0 DHAFMO Fc1ccc(-c2[nH]c(C3CC[NH2+]CC3)nc2-c2ccncc2)cc1 ZINC000003815689 181046782 /nfs/dbraw/zinc/04/67/82/181046782.db2.gz IXHWMGAFLNPNII-UHFFFAOYSA-N 1 1 322.387 3.745 1 0 DHAFMO CC(C)[C@@H]1N2CCc3c4ccccc4[nH]c3[C@H]2[C@H]2CCCC[N@H+]21 ZINC000019328393 182115594 /nfs/dbraw/zinc/11/55/94/182115594.db2.gz KAPLWYIKWWQMQW-RLLQIKCJSA-N 1 1 309.457 3.917 1 0 DHAFMO Cc1cc(C)c2c([nH+]1)N[C@H](c1cccc(Cl)c1Cl)NC2=O ZINC000040897159 183147456 /nfs/dbraw/zinc/14/74/56/183147456.db2.gz OKGDZRXYHAXOAC-ZDUSSCGKSA-N 1 1 322.195 3.859 1 0 DHAFMO Cc1ccc(NC(=O)[C@]2(C)CC[N@H+]2C2Cc3ccccc3C2)cc1 ZINC000061906345 184194290 /nfs/dbraw/zinc/19/42/90/184194290.db2.gz RINDRUVVDTYUSK-NRFANRHFSA-N 1 1 320.436 3.565 3 0 DHAFMO CN1OC[C@@H]2C[N@@H+](C)[C@H](c3cccc(-c4ccccc4)c3)C[C@@H]21 ZINC000061942315 184197358 /nfs/dbraw/zinc/19/73/58/184197358.db2.gz TYNUKMPAFBZMDY-UFYCRDLUSA-N 1 1 308.425 3.592 3 0 DHAFMO CC(C)[N@H+]1CC[C@@](C)(C(=O)Nc2cccc3c2CCCC3)C1 ZINC000061895487 184193095 /nfs/dbraw/zinc/19/30/95/184193095.db2.gz BZOJMUOFUJTYSC-LJQANCHMSA-N 1 1 300.446 3.624 3 0 DHAFMO Fc1cccc(-c2noc3c2C[N@H+](C2CCSCC2)CC3)c1 ZINC000019794792 182149770 /nfs/dbraw/zinc/14/97/70/182149770.db2.gz AVHNPTJKWSRFRI-UHFFFAOYSA-N 1 1 318.417 3.734 1 0 DHAFMO Cc1ccc(NC(=O)[C@@]2(C)CC[N@H+]2CCc2ccccc2)cc1 ZINC000061896457 184193217 /nfs/dbraw/zinc/19/32/17/184193217.db2.gz LZTGSRKYTSOSAV-HXUWFJFHSA-N 1 1 308.425 3.641 3 0 DHAFMO Fc1ccc(-c2csc([C@H]3C[N@H+]4CCC[C@@H]4CO3)n2)cc1F ZINC000102662756 526314860 /nfs/dbraw/zinc/31/48/60/526314860.db2.gz DHGHGALHAUPQNL-IAQYHMDHSA-N 1 1 322.380 3.624 1 0 DHAFMO c1csc(C[N@H+]2CCC[C@H](Nc3ccc4n[nH]cc4c3)C2)c1 ZINC000028640371 581092322 /nfs/dbraw/zinc/09/23/22/581092322.db2.gz BTFXRESVGZYZQN-HNNXBMFYSA-N 1 1 312.442 3.701 1 0 DHAFMO C[N@H+]1CC[C@H]2CCC[C@@H](OC(=O)c3ccc(Cl)cc3)[C@H]2C1 ZINC000169341326 197744667 /nfs/dbraw/zinc/74/46/67/197744667.db2.gz BMEIDCBHFLHKTO-UHOFOFEASA-N 1 1 307.821 3.617 1 0 DHAFMO COc1cccc(-c2nc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)co2)c1 ZINC000072100838 191037020 /nfs/dbraw/zinc/03/70/20/191037020.db2.gz RBIJPYOAZZHNSJ-OKILXGFUSA-N 1 1 300.402 3.828 1 0 DHAFMO CCCCc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC)[N@H+]3C)cc1 ZINC000073198265 191291348 /nfs/dbraw/zinc/29/13/48/191291348.db2.gz WYYNFHYJIMPILR-MANSERQUSA-N 1 1 315.457 3.769 1 0 DHAFMO CC(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Oc1ccccc1)C2 ZINC000003955996 181058670 /nfs/dbraw/zinc/05/86/70/181058670.db2.gz LTOQTEBXLPGSNJ-IBGZPJMESA-N 1 1 316.445 3.629 1 0 DHAFMO CCCOc1cccc2c1-c1cc(O)cc3c1[C@@H](C2)[N@@H+](C)CC3 ZINC000040934132 183149415 /nfs/dbraw/zinc/14/94/15/183149415.db2.gz JQZDCSZYILWJAG-QGZVFWFLSA-N 1 1 309.409 3.933 1 0 DHAFMO Cc1nc2cc(NC(=O)[C@]3(C)CCC[N@H+](C(C)C)C3)ccc2o1 ZINC000061906955 184194796 /nfs/dbraw/zinc/19/47/96/184194796.db2.gz SGWBJSYGLRWJNH-GOSISDBHSA-N 1 1 315.417 3.585 3 0 DHAFMO OC[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1CCc1ccccc1 ZINC000064491761 184298746 /nfs/dbraw/zinc/29/87/46/184298746.db2.gz BWPOQJVXDJYEQS-NHCUHLMSSA-N 1 1 309.453 3.860 1 0 in-vivo DHAFMO C[NH+]1CCN(C2=Nc3ccccc3Sc3cscc32)CC1 ZINC000095613409 185382594 /nfs/dbraw/zinc/38/25/94/185382594.db2.gz BPNBOVSZXNYUHM-UHFFFAOYSA-N 1 1 315.467 3.538 1 0 DHAFMO c1[nH]c2cccc3c2c1C[C@H]1C[N@@H+](CC2CCCCC2)CCN31 ZINC000072315819 191120404 /nfs/dbraw/zinc/12/04/04/191120404.db2.gz FKYWQYRHUAFYJR-KRWDZBQOSA-N 1 1 309.457 3.795 1 0 DHAFMO COCCSC[C@H]1C[N@@H+](C)CC[C@@H]1c1ccc(Cl)cc1 ZINC000013584838 181865506 /nfs/dbraw/zinc/86/55/06/181865506.db2.gz SMAZEWZYKHXETB-GDBMZVCRSA-N 1 1 313.894 3.755 1 0 DHAFMO O=C(NC1CCCC1)[C@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000058012566 184066735 /nfs/dbraw/zinc/06/67/35/184066735.db2.gz ZOANNWJCJCKKQO-INIZCTEOSA-N 1 1 306.837 3.536 1 0 DHAFMO CCNC(=O)[C@@]1(C)CCC[N@@H+](Cc2csc3ccccc23)C1 ZINC000061928621 184196351 /nfs/dbraw/zinc/19/63/51/184196351.db2.gz WSFXBYHVQIHXEG-SFHVURJKSA-N 1 1 316.470 3.640 3 0 DHAFMO Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC2CCC2)[N@H+]3C)cc1 ZINC000013740253 190638798 /nfs/dbraw/zinc/63/87/98/190638798.db2.gz LBLVIDUIWXYVNG-AITUJVMLSA-N 1 1 313.441 3.657 1 0 DHAFMO C[Si](C)(C)c1ccc(C2=Cc3ccccc3C3=[NH+]CCN32)cc1 ZINC000169979496 197763399 /nfs/dbraw/zinc/76/33/99/197763399.db2.gz JYVHOEBHYXKEKU-UHFFFAOYSA-N 1 1 318.496 3.806 1 0 DHAFMO Cc1ccc2cc(NC(=O)[C@@]3(C)CC[N@@H+]3CC(C)C)ccc2n1 ZINC000061907091 184194572 /nfs/dbraw/zinc/19/45/72/184194572.db2.gz QMJATAHUAZLLIN-LJQANCHMSA-N 1 1 311.429 3.602 3 0 DHAFMO c1ccc([C@@H]2CC(N3CCOCC3)=[NH+]c3ccccc3N2)cc1 ZINC000005582935 181260763 /nfs/dbraw/zinc/26/07/63/181260763.db2.gz MQIYEOHPAQDLOE-SFHVURJKSA-N 1 1 307.397 3.606 1 0 DHAFMO CC[N@H+]1CC[C@@H](c2ccccc2)[C@@H](C(=O)OC2CCCCC2)C1 ZINC000013782845 181895879 /nfs/dbraw/zinc/89/58/79/181895879.db2.gz WCEJBLSHLNKAQO-OALUTQOASA-N 1 1 315.457 3.988 1 0 DHAFMO CC(=O)c1ccc(-c2ccc(N3CC[C@@H]4C[N@H+](C)C[C@@H]43)cc2)cc1 ZINC000062178506 184212250 /nfs/dbraw/zinc/21/22/50/184212250.db2.gz NCLNAQYDNSHAQF-CTNGQTDRSA-N 1 1 320.436 3.697 1 0 DHAFMO Nc1nc(N)c2cc(NCc3cccc4ccccc43)ccc2[nH+]1 ZINC000003814861 181046762 /nfs/dbraw/zinc/04/67/62/181046762.db2.gz XZONZOMFYCKLPC-UHFFFAOYSA-N 1 1 315.380 3.560 1 0 DHAFMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@]1(OC(=O)c1ccco1)c1ccccc1 ZINC000004776413 181150955 /nfs/dbraw/zinc/15/09/55/181150955.db2.gz HGXBXQXWBLWWHO-VCBZYWHSSA-N 1 1 313.397 3.692 2 0 DHAFMO Cc1ccc(C[N@@H+](C)CCCCn2c3ccccc3oc2=O)cc1 ZINC000043059142 183332630 /nfs/dbraw/zinc/33/26/30/183332630.db2.gz ZPDISIOXMHELGN-UHFFFAOYSA-N 1 1 324.424 3.815 1 0 DHAFMO CCCNC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(C)c3ccccc23)C1 ZINC000061896298 184192989 /nfs/dbraw/zinc/19/29/89/184192989.db2.gz DOMMYSLFBVFSRU-OAQYLSRUSA-N 1 1 324.468 3.886 3 0 DHAFMO CCCC[N@H+]1CCC[C@H]1C(=O)Nc1ccccc1C(F)(F)F ZINC000096927319 185391958 /nfs/dbraw/zinc/39/19/58/185391958.db2.gz HHKSHLVSGQWALT-AWEZNQCLSA-N 1 1 314.351 3.908 1 0 DHAFMO Oc1ccc(-c2cc3c(nc[nH+]c3NCc3ccccc3)[nH]2)cc1 ZINC000073158735 191286073 /nfs/dbraw/zinc/28/60/73/191286073.db2.gz GVGLTLSHSVZGHM-UHFFFAOYSA-N 1 1 316.364 3.943 1 0 DHAFMO Cc1[nH+]c(C)n(-c2ccc3[nH]c(-c4ccncc4)nc3c2)c1C ZINC000013651258 181873988 /nfs/dbraw/zinc/87/39/88/181873988.db2.gz FMUXBCLQLYVVFV-UHFFFAOYSA-N 1 1 303.369 3.736 1 0 DHAFMO CC1(C)C[C@]2(C[N@@H+](Cc3ccccc3)CCO2)c2ccccc2O1 ZINC000040979115 183154253 /nfs/dbraw/zinc/15/42/53/183154253.db2.gz QQYBBCAZZVHXCC-NRFANRHFSA-N 1 1 323.436 3.975 1 0 DHAFMO C[N@H+]1[C@@H](CCc2ccncc2)CCC[C@H]1CCc1ccncc1 ZINC000049035954 183703889 /nfs/dbraw/zinc/70/38/89/183703889.db2.gz VFBKHLHYLOMLIM-BGYRXZFFSA-N 1 1 309.457 3.895 1 0 DHAFMO CCCNC(=O)[C@@]1(C)CCC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000061904276 184193978 /nfs/dbraw/zinc/19/39/78/184193978.db2.gz DCKBALBZWBKFRH-IBGZPJMESA-N 1 1 314.429 3.561 3 0 DHAFMO CCNC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000061906277 184194138 /nfs/dbraw/zinc/19/41/38/184194138.db2.gz NSNZDMGONHUPCD-NRFANRHFSA-N 1 1 322.452 3.702 3 0 DHAFMO CC(C)[N@H+]1CC[C@](C)(C(=O)Nc2cccc3c2CCCC3)C1 ZINC000061895488 184192969 /nfs/dbraw/zinc/19/29/69/184192969.db2.gz BZOJMUOFUJTYSC-IBGZPJMESA-N 1 1 300.446 3.624 3 0 DHAFMO