smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@H+]1CCc2c(cccc2Nc2ccc([N+](=O)[O-])cc2C#N)C1 ZINC000301688711 336323471 /nfs/dbraw/zinc/32/34/71/336323471.db2.gz JGZSIUDCWAABTL-UHFFFAOYSA-N 1 1 322.368 3.588 10 30 DHEEMO COc1cc(OC)cc([C@@H]2CC[N@@H+](CCCC(C)(C)C#N)C2)c1 ZINC000083402932 1032194274 /nfs/dbraw/zinc/19/42/74/1032194274.db2.gz PSZLNKQFETUXOT-OAHLLOKOSA-N 1 1 316.445 3.823 10 30 DHEEMO Cc1csc([C@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC000191977764 337302491 /nfs/dbraw/zinc/30/24/91/337302491.db2.gz DQLOERGHIJTHHC-HNNXBMFYSA-N 1 1 315.417 3.842 10 30 DHEEMO Cc1csc([C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)n1 ZINC000156970535 526420863 /nfs/dbraw/zinc/42/08/63/526420863.db2.gz CGFGZMIWNFBYJW-OAHLLOKOSA-N 1 1 315.417 3.842 10 30 DHEEMO COc1cc(OC)cc([C@@H]2CC[N@@H+](CC(C)(C)CCC#N)C2)c1 ZINC000093838140 1032560693 /nfs/dbraw/zinc/56/06/93/1032560693.db2.gz KEZWEZJBGZEPEP-OAHLLOKOSA-N 1 1 316.445 3.823 10 30 DHEEMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)cc1F ZINC000192049740 337302202 /nfs/dbraw/zinc/30/22/02/337302202.db2.gz FVRJEFKPWFHBGV-QUCCMNQESA-N 1 1 324.399 3.785 10 30 DHEEMO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000236050451 340662308 /nfs/dbraw/zinc/66/23/08/340662308.db2.gz FNUUJMQOXKKCEO-MFKMUULPSA-N 1 1 313.626 3.884 10 30 DHEEMO CCc1csc([C@@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)n1 ZINC000157040324 522114621 /nfs/dbraw/zinc/11/46/21/522114621.db2.gz VHKPAWDOLISVTL-MRXNPFEDSA-N 1 1 311.454 3.957 10 30 DHEEMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)s1 ZINC000180241347 526612603 /nfs/dbraw/zinc/61/26/03/526612603.db2.gz HPWNMQNELXFIQR-QAPCUYQASA-N 1 1 312.438 3.708 10 30 DHEEMO CC[N@@H+](CCNc1cc(C#N)c2cc(Cl)ccc2n1)C1CC1 ZINC000301563107 336315115 /nfs/dbraw/zinc/31/51/15/336315115.db2.gz JRIBMNFVOCCHKY-UHFFFAOYSA-N 1 1 314.820 3.656 10 30 DHEEMO C=CCC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1ccc(OC)cc1 ZINC000036102132 518718446 /nfs/dbraw/zinc/71/84/46/518718446.db2.gz MUYSBXBKTREPMV-QGZVFWFLSA-N 1 1 315.413 3.618 10 30 DHEEMO C[N@@H+](C/C=C/C#CC(C)(C)CO)Cc1cccc2ccccc21 ZINC000022061237 522406016 /nfs/dbraw/zinc/40/60/16/522406016.db2.gz GPEJUKJZTGFNKY-XBXARRHUSA-N 1 1 307.437 3.850 10 30 world DHEEMO CCn1c2ccccc2nc1[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000237225621 523294578 /nfs/dbraw/zinc/29/45/78/523294578.db2.gz SGNLKBJACOXYLO-AWEZNQCLSA-N 1 1 304.397 3.779 10 30 DHEEMO O=C1C[C@@H](c2ccc(F)cc2)CC2=[NH+][C@H]3CCCC[C@@H]3NC=C12 ZINC000017032473 182069718 /nfs/dbraw/zinc/06/97/18/182069718.db2.gz RZOWRGHYBQRJHU-JQFCIGGWSA-N 1 1 312.388 3.512 10 30 DHEEMO C=CCOc1cccc(C[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)c1 ZINC000123010574 337034006 /nfs/dbraw/zinc/03/40/06/337034006.db2.gz MYEIWKFCQVUOAS-SFHVURJKSA-N 1 1 311.429 3.593 10 30 DHEEMO Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)c3cccc(C#N)c3)C2)n1 ZINC000189896290 524685425 /nfs/dbraw/zinc/68/54/25/524685425.db2.gz HTELHEZJHBFGDC-FUHWJXTLSA-N 1 1 320.440 3.757 10 30 DHEEMO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000236050295 332087135 /nfs/dbraw/zinc/08/71/35/332087135.db2.gz FNUUJMQOXKKCEO-ZWNOBZJWSA-N 1 1 313.626 3.884 10 30 DHEEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1snc(Cl)c1C#N ZINC000302019376 336343399 /nfs/dbraw/zinc/34/33/99/336343399.db2.gz NAMZINZCXQANGC-NSHDSACASA-N 1 1 320.849 3.601 10 30 DHEEMO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000137124261 341272936 /nfs/dbraw/zinc/27/29/36/341272936.db2.gz VFLCDNWMTQXKDJ-GWCFXTLKSA-N 1 1 313.626 3.884 10 30 DHEEMO C=CCCC[C@@H](C)NC(=O)N1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000181110659 337179902 /nfs/dbraw/zinc/17/99/02/337179902.db2.gz GTVCGIQYNHZWOP-CVEARBPZSA-N 1 1 318.465 3.537 10 30 DHEEMO CCn1c2ccccc2nc1[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000237224662 523295671 /nfs/dbraw/zinc/29/56/71/523295671.db2.gz OGIXAQVPNVWYAP-AWEZNQCLSA-N 1 1 304.397 3.779 10 30 DHEEMO Cc1csc([C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)n1 ZINC000156970686 526442718 /nfs/dbraw/zinc/44/27/18/526442718.db2.gz CGFGZMIWNFBYJW-HNNXBMFYSA-N 1 1 315.417 3.842 10 30 DHEEMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000245427654 526769632 /nfs/dbraw/zinc/76/96/32/526769632.db2.gz WGGIEHZOHPCURR-UKRRQHHQSA-N 1 1 317.458 3.603 10 30 DHEEMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)cc1 ZINC000092757855 1032508135 /nfs/dbraw/zinc/50/81/35/1032508135.db2.gz CTCSBWPCGPHFJN-LPHOPBHVSA-N 1 1 321.424 3.664 10 30 DHEEMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)cc1F ZINC000192049733 337302190 /nfs/dbraw/zinc/30/21/90/337302190.db2.gz FVRJEFKPWFHBGV-UYAOXDASSA-N 1 1 324.399 3.785 10 30 DHEEMO C#CCN1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000584648117 337380388 /nfs/dbraw/zinc/38/03/88/337380388.db2.gz UBSMAERFXOYPFI-FQEVSTJZSA-N 1 1 324.855 3.680 10 30 DHEEMO C=CCC[C@H](O)C[N@@H+](Cc1ccco1)Cc1ccc(F)cc1 ZINC000036102491 518726576 /nfs/dbraw/zinc/72/65/76/518726576.db2.gz QHPNPLUAMVZTPV-KRWDZBQOSA-N 1 1 303.377 3.748 10 30 DHEEMO Cc1ccc([C@@H]2CCCC[N@H+]2C[C@H](O)c2ccc(C#N)cc2)o1 ZINC000156508853 525802600 /nfs/dbraw/zinc/80/26/00/525802600.db2.gz IRLRGGHVOTZGFU-ROUUACIJSA-N 1 1 310.397 3.720 10 30 DHEEMO C[C@H]([NH2+]Cc1cccnc1C#N)c1ccc(Br)cc1 ZINC000061658350 184180885 /nfs/dbraw/zinc/18/08/85/184180885.db2.gz HLMSKLIBQYPLDI-NSHDSACASA-N 1 1 316.202 3.567 10 30 DHEEMO C=CCCCCC[N@@H+]1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000195254466 335104786 /nfs/dbraw/zinc/10/47/86/335104786.db2.gz SCCWYFQUKCDUNP-QGZVFWFLSA-N 1 1 321.534 3.952 10 30 DHEEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](Nc2cc(C#N)ccc2C(F)(F)F)C1 ZINC000302285245 336356778 /nfs/dbraw/zinc/35/67/78/336356778.db2.gz LKJVSELFALJFII-ABAIWWIYSA-N 1 1 311.351 3.718 10 30 DHEEMO C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000181110644 337179796 /nfs/dbraw/zinc/17/97/96/337179796.db2.gz GTVCGIQYNHZWOP-HZPDHXFCSA-N 1 1 318.465 3.537 10 30 DHEEMO Cc1ccc([C@H](C)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000181409988 337183987 /nfs/dbraw/zinc/18/39/87/337183987.db2.gz KJDGXLDKQTXLDJ-INIZCTEOSA-N 1 1 323.440 3.775 10 30 DHEEMO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000137124222 341272959 /nfs/dbraw/zinc/27/29/59/341272959.db2.gz VFLCDNWMTQXKDJ-GXFFZTMASA-N 1 1 313.626 3.884 10 30 DHEEMO COc1ccc([C@H]2C[C@@H](C)[N@@H+](CCCSCC#N)C2)cc1 ZINC000074991208 1030628996 /nfs/dbraw/zinc/62/89/96/1030628996.db2.gz HYDKPCYXHHRPEN-ZBFHGGJFSA-N 1 1 304.459 3.520 10 30 DHEEMO C=CCCCCC[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000195278825 335102927 /nfs/dbraw/zinc/10/29/27/335102927.db2.gz MMEHUUVZSUMMRM-IBGZPJMESA-N 1 1 301.478 3.582 10 30 DHEEMO N#Cc1ccccc1C[N@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000179163523 337168035 /nfs/dbraw/zinc/16/80/35/337168035.db2.gz FFBBJOFXGLMVTL-IBGZPJMESA-N 1 1 322.383 3.935 10 30 DHEEMO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000179163523 337168036 /nfs/dbraw/zinc/16/80/36/337168036.db2.gz FFBBJOFXGLMVTL-IBGZPJMESA-N 1 1 322.383 3.935 10 30 DHEEMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)cc1F ZINC000192049728 337302280 /nfs/dbraw/zinc/30/22/80/337302280.db2.gz FVRJEFKPWFHBGV-ICSRJNTNSA-N 1 1 324.399 3.785 10 30 DHEEMO CC(C)c1nc(C2([NH2+]CCCC(C)(C)C#N)CCCC2)no1 ZINC000174878757 340398253 /nfs/dbraw/zinc/39/82/53/340398253.db2.gz GHRCXWYFDWOZCS-UHFFFAOYSA-N 1 1 304.438 3.882 10 30 DHEEMO C=CC[N@H+](Cc1ccc(C)s1)Cc1cc(C#CCO)cs1 ZINC000067789015 563457342 /nfs/dbraw/zinc/45/73/42/563457342.db2.gz ZPEREBKYGJUKOZ-UHFFFAOYSA-N 1 1 317.479 3.650 10 30 DHEEMO C=C[C@](C)(O)C[N@H+](Cc1ccccc1)Cc1cccc(OC)c1 ZINC000036115576 563894287 /nfs/dbraw/zinc/89/42/87/563894287.db2.gz BGOAXHWDDAKLQR-FQEVSTJZSA-N 1 1 311.425 3.634 10 30 DHEEMO FC(F)(F)[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000176983680 337153571 /nfs/dbraw/zinc/15/35/71/337153571.db2.gz HFKGWXCJTHRAMK-ZDUSSCGKSA-N 1 1 301.739 3.966 10 30 DHEEMO FC(F)(F)[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000176983680 337153572 /nfs/dbraw/zinc/15/35/72/337153572.db2.gz HFKGWXCJTHRAMK-ZDUSSCGKSA-N 1 1 301.739 3.966 10 30 DHEEMO CCCCCCCCC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000177178692 337154506 /nfs/dbraw/zinc/15/45/06/337154506.db2.gz OTCITSTWNXSBRQ-QGZVFWFLSA-N 1 1 305.466 3.933 10 30 DHEEMO CC(C)(C#N)CCC[NH2+]C1(c2noc(C3CC3)n2)CCCC1 ZINC000174878794 340398175 /nfs/dbraw/zinc/39/81/75/340398175.db2.gz CEYYALOQPSENJQ-UHFFFAOYSA-N 1 1 302.422 3.636 10 30 DHEEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccccc1C(C)(C)C#N ZINC000245938169 341319027 /nfs/dbraw/zinc/31/90/27/341319027.db2.gz AJBYZDGDDZTSNY-MSOLQXFVSA-N 1 1 311.473 3.546 10 30 DHEEMO CCc1csc([C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)n1 ZINC000157045836 522113883 /nfs/dbraw/zinc/11/38/83/522113883.db2.gz AOSCSPJPXGANIO-MRXNPFEDSA-N 1 1 311.454 3.957 10 30 DHEEMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)s1 ZINC000180241315 526613114 /nfs/dbraw/zinc/61/31/14/526613114.db2.gz HPWNMQNELXFIQR-YJBOKZPZSA-N 1 1 312.438 3.708 10 30 DHEEMO COc1cc(OC)cc([C@H]2CC[N@@H+](CCCC(C)(C)C#N)C2)c1 ZINC000083402931 1032194865 /nfs/dbraw/zinc/19/48/65/1032194865.db2.gz PSZLNKQFETUXOT-HNNXBMFYSA-N 1 1 316.445 3.823 10 30 DHEEMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)cc1 ZINC000092757857 1032508214 /nfs/dbraw/zinc/50/82/14/1032508214.db2.gz CTCSBWPCGPHFJN-APWZRJJASA-N 1 1 321.424 3.664 10 30 DHEEMO Cc1[nH+]ccn1Cc1cccc(CNc2ccc(F)cc2C#N)c1 ZINC000301533169 336312996 /nfs/dbraw/zinc/31/29/96/336312996.db2.gz QBSPPOOYBDTQGC-UHFFFAOYSA-N 1 1 320.371 3.863 10 30 DHEEMO CCCCCCCCC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000177178705 337154460 /nfs/dbraw/zinc/15/44/60/337154460.db2.gz OTCITSTWNXSBRQ-KRWDZBQOSA-N 1 1 305.466 3.933 10 30 DHEEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@@H](C)c1cccc(C#N)c1 ZINC000189877846 337282623 /nfs/dbraw/zinc/28/26/23/337282623.db2.gz AHYUXTQPQJAEQO-KBXCAEBGSA-N 1 1 308.429 3.807 10 30 DHEEMO C=CCC[C@H](O)C[N@H+](Cc1ccco1)Cc1ccccc1F ZINC000036102990 518725405 /nfs/dbraw/zinc/72/54/05/518725405.db2.gz AOADBSKWDXMIFO-INIZCTEOSA-N 1 1 303.377 3.748 10 30 DHEEMO C=CCC[C@H](O)C[N@@H+](Cc1ccco1)Cc1ccccc1F ZINC000036102990 518725407 /nfs/dbraw/zinc/72/54/07/518725407.db2.gz AOADBSKWDXMIFO-INIZCTEOSA-N 1 1 303.377 3.748 10 30 DHEEMO C[C@@H]([NH2+]Cc1cccnc1C#N)c1ccc(Br)cc1 ZINC000061658351 184181065 /nfs/dbraw/zinc/18/10/65/184181065.db2.gz HLMSKLIBQYPLDI-LLVKDONJSA-N 1 1 316.202 3.567 10 30 DHEEMO FC(F)(F)[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000178961504 333022812 /nfs/dbraw/zinc/02/28/12/333022812.db2.gz IQKWNUHOJKMFLH-CYBMUJFWSA-N 1 1 301.739 3.966 10 30 DHEEMO FC(F)(F)[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000178961504 333022813 /nfs/dbraw/zinc/02/28/13/333022813.db2.gz IQKWNUHOJKMFLH-CYBMUJFWSA-N 1 1 301.739 3.966 10 30 DHEEMO C=C[C@@H](CC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C)c1ccccc1 ZINC000120743155 334334188 /nfs/dbraw/zinc/33/41/88/334334188.db2.gz QCZOIQZSBFUHDI-PKOBYXMFSA-N 1 1 323.440 3.542 10 30 DHEEMO CC[N@H+]1CCC[C@H]1CNc1cc(C#N)c2cc(Cl)ccc2n1 ZINC000301940567 336339014 /nfs/dbraw/zinc/33/90/14/336339014.db2.gz ZOCUHIOIETZFMR-AWEZNQCLSA-N 1 1 314.820 3.656 10 30 DHEEMO C#CCN1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000584648122 337380414 /nfs/dbraw/zinc/38/04/14/337380414.db2.gz UBSMAERFXOYPFI-HXUWFJFHSA-N 1 1 324.855 3.680 10 30 DHEEMO CCc1csc([C@H]2CCC[N@@H+](CCCSCC#N)C2)n1 ZINC000173876780 333079396 /nfs/dbraw/zinc/07/93/96/333079396.db2.gz SZDLSLKYYJTYJL-ZDUSSCGKSA-N 1 1 309.504 3.532 10 30 DHEEMO Cc1cnn([C@@H]2CCC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)c1 ZINC000177142982 337154330 /nfs/dbraw/zinc/15/43/30/337154330.db2.gz JAFDVKOZWLQABG-GOSISDBHSA-N 1 1 313.832 3.534 10 30 DHEEMO COc1cc(OC)cc([C@H]2CC[N@@H+](CC(C)(C)CCC#N)C2)c1 ZINC000093838139 1032560017 /nfs/dbraw/zinc/56/00/17/1032560017.db2.gz KEZWEZJBGZEPEP-HNNXBMFYSA-N 1 1 316.445 3.823 10 30 DHEEMO N#Cc1nc(N[C@H]2CCC[N@H+](C3CCCCC3)C2)ccc1Cl ZINC000301172251 336293199 /nfs/dbraw/zinc/29/31/99/336293199.db2.gz GVHXROKRSFUAMB-ZDUSSCGKSA-N 1 1 318.852 3.816 10 30 DHEEMO C=CCC[C@H](O)C[N@H+](Cc1ccco1)Cc1ccccc1OC ZINC000036102718 518725792 /nfs/dbraw/zinc/72/57/92/518725792.db2.gz KKDQBXQKFKCYHB-KRWDZBQOSA-N 1 1 315.413 3.618 10 30 DHEEMO C=CCC[C@H](O)C[N@@H+](Cc1ccco1)Cc1ccccc1OC ZINC000036102718 518725796 /nfs/dbraw/zinc/72/57/96/518725796.db2.gz KKDQBXQKFKCYHB-KRWDZBQOSA-N 1 1 315.413 3.618 10 30 DHEEMO COc1ccc([C@H]2C[C@H](C)[N@@H+](CCCSCC#N)C2)cc1 ZINC000074991209 1030627403 /nfs/dbraw/zinc/62/74/03/1030627403.db2.gz HYDKPCYXHHRPEN-HOCLYGCPSA-N 1 1 304.459 3.520 10 30 DHEEMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152351610 332278714 /nfs/dbraw/zinc/27/87/14/332278714.db2.gz VKEQFWDAQJTYJW-SFHVURJKSA-N 1 1 321.424 3.536 10 30 DHEEMO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000137124183 341272894 /nfs/dbraw/zinc/27/28/94/341272894.db2.gz VFLCDNWMTQXKDJ-MFKMUULPSA-N 1 1 313.626 3.884 10 30 DHEEMO N#Cc1ccccc1C[N@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000179163515 337168063 /nfs/dbraw/zinc/16/80/63/337168063.db2.gz FFBBJOFXGLMVTL-LJQANCHMSA-N 1 1 322.383 3.935 10 30 DHEEMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000179163515 337168064 /nfs/dbraw/zinc/16/80/64/337168064.db2.gz FFBBJOFXGLMVTL-LJQANCHMSA-N 1 1 322.383 3.935 10 30 DHEEMO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1cccc(-n2ccnc2)c1 ZINC000180662312 337177046 /nfs/dbraw/zinc/17/70/46/337177046.db2.gz FLRZKWAIFTVGDB-CQSZACIVSA-N 1 1 320.371 3.734 10 30 DHEEMO C=CCCC[C@H](C)NC(=O)N1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000181110626 337179839 /nfs/dbraw/zinc/17/98/39/337179839.db2.gz GTVCGIQYNHZWOP-HOTGVXAUSA-N 1 1 318.465 3.537 10 30 DHEEMO C=CCC[C@H](C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1)Oc1cccc(C#N)n1 ZINC000072429128 563813604 /nfs/dbraw/zinc/81/36/04/563813604.db2.gz MLNGHHFJHHMWJF-ZIFCJYIRSA-N 1 1 323.440 3.565 10 30 DHEEMO C=CCCCCC[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000193325577 337310445 /nfs/dbraw/zinc/31/04/45/337310445.db2.gz GSTBCQDXPINEAV-INIZCTEOSA-N 1 1 302.466 3.888 10 30 DHEEMO C=CCC[C@@H](O)C[N@H+](Cc1ccco1)Cc1ccccc1OC ZINC000036102716 518718720 /nfs/dbraw/zinc/71/87/20/518718720.db2.gz KKDQBXQKFKCYHB-QGZVFWFLSA-N 1 1 315.413 3.618 10 30 DHEEMO C=CCC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1ccccc1OC ZINC000036102716 518718725 /nfs/dbraw/zinc/71/87/25/518718725.db2.gz KKDQBXQKFKCYHB-QGZVFWFLSA-N 1 1 315.413 3.618 10 30 DHEEMO CSC(=NN=Cc1c(Cl)cccc1Cl)[NH+]=CN(C)C ZINC000585660850 563613671 /nfs/dbraw/zinc/61/36/71/563613671.db2.gz XJRYTCAUNYCDKN-UHFFFAOYSA-N 1 1 317.245 3.636 10 30 DHEEMO [NH2+]=C1NC(=NC(c2ccccc2)c2ccccc2)c2ccccc21 ZINC000040802644 183136476 /nfs/dbraw/zinc/13/64/76/183136476.db2.gz DKHDYRQGKPNUCP-UHFFFAOYSA-N 1 1 311.388 3.942 10 30 DHEEMO C[N@H+]1CC[C@@H](CNC(=O)CC2=CCCCC2)[C@@H]1c1cccnc1 ZINC000328633391 257263622 /nfs/dbraw/zinc/26/36/22/257263622.db2.gz SPDBJDWFGFPQNK-HKUYNNGSSA-N 1 1 313.445 3.921 10 30 DHEEMO C=CCOc1cccc(C[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)c1 ZINC000123010311 337034035 /nfs/dbraw/zinc/03/40/35/337034035.db2.gz MYEIWKFCQVUOAS-GOSISDBHSA-N 1 1 311.429 3.593 10 30 DHEEMO Cc1csc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3C#N)C2)n1 ZINC000171382337 337086492 /nfs/dbraw/zinc/08/64/92/337086492.db2.gz XYJHJYCAQGZTMF-CQSZACIVSA-N 1 1 315.417 3.842 10 30 DHEEMO Cc1csc([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3C#N)C2)n1 ZINC000171382337 337086493 /nfs/dbraw/zinc/08/64/93/337086493.db2.gz XYJHJYCAQGZTMF-CQSZACIVSA-N 1 1 315.417 3.842 10 30 DHEEMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000176695344 337152720 /nfs/dbraw/zinc/15/27/20/337152720.db2.gz WGGIEHZOHPCURR-HIFRSBDPSA-N 1 1 317.458 3.603 10 30 DHEEMO C=CCCCCC[N@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000193325562 337310473 /nfs/dbraw/zinc/31/04/73/337310473.db2.gz GSTBCQDXPINEAV-MRXNPFEDSA-N 1 1 302.466 3.888 10 30 DHEEMO COc1ccc(-c2cc(-c3ccccc3)[nH+]c(NN)c2C#N)cc1 ZINC000090562775 185303723 /nfs/dbraw/zinc/30/37/23/185303723.db2.gz QZZAIZIMVIMRGW-UHFFFAOYSA-N 1 1 316.364 3.581 10 30 DHEEMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152351707 332278790 /nfs/dbraw/zinc/27/87/90/332278790.db2.gz VKEQFWDAQJTYJW-GOSISDBHSA-N 1 1 321.424 3.536 10 30 DHEEMO C=CCCCCC[N@@H+]1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000195254452 335104817 /nfs/dbraw/zinc/10/48/17/335104817.db2.gz SCCWYFQUKCDUNP-KRWDZBQOSA-N 1 1 321.534 3.952 10 30 DHEEMO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1cccc(-n2ccnc2)c1 ZINC000180662295 337177035 /nfs/dbraw/zinc/17/70/35/337177035.db2.gz FLRZKWAIFTVGDB-AWEZNQCLSA-N 1 1 320.371 3.734 10 30 DHEEMO Cc1csc([C@@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC000191977758 337302522 /nfs/dbraw/zinc/30/25/22/337302522.db2.gz DQLOERGHIJTHHC-OAHLLOKOSA-N 1 1 315.417 3.842 10 30 DHEEMO C=CCC[C@H](O)C[N@@H+](Cc1ccco1)Cc1ccc(OC)cc1 ZINC000036102134 518726418 /nfs/dbraw/zinc/72/64/18/518726418.db2.gz MUYSBXBKTREPMV-KRWDZBQOSA-N 1 1 315.413 3.618 10 30 DHEEMO Cc1ccccc1[C@@H](C)[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000181536618 337182815 /nfs/dbraw/zinc/18/28/15/337182815.db2.gz JIDPVOOLJBJYQY-CQSZACIVSA-N 1 1 318.380 3.768 10 30 DHEEMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)cc1F ZINC000192049723 337302240 /nfs/dbraw/zinc/30/22/40/337302240.db2.gz FVRJEFKPWFHBGV-AZUAARDMSA-N 1 1 324.399 3.785 10 30 DHEEMO Cc1ccc([C@H]2CCCC[N@H+]2C[C@H](O)c2ccc(C#N)cc2)o1 ZINC000156508982 525995189 /nfs/dbraw/zinc/99/51/89/525995189.db2.gz IRLRGGHVOTZGFU-MSOLQXFVSA-N 1 1 310.397 3.720 10 30 DHEEMO C=C[C@@](C)(O)C[N@H+](Cc1ccccc1)Cc1cccc(OC)c1 ZINC000036115577 563894214 /nfs/dbraw/zinc/89/42/14/563894214.db2.gz BGOAXHWDDAKLQR-HXUWFJFHSA-N 1 1 311.425 3.634 10 30 DHEEMO N#Cc1ccc2ncc(C[N@H+]3CC=C(c4cccs4)CC3)n2c1 ZINC000093533749 1020157295 /nfs/dbraw/zinc/15/72/95/1020157295.db2.gz UPRCGHCBHAHHFR-UHFFFAOYSA-N 1 1 320.421 3.557 10 30 DHEEMO N#Cc1ccc2ncc(C[N@@H+]3CC=C(c4cccs4)CC3)n2c1 ZINC000093533749 1020157330 /nfs/dbraw/zinc/15/73/30/1020157330.db2.gz UPRCGHCBHAHHFR-UHFFFAOYSA-N 1 1 320.421 3.557 10 30 DHEEMO COc1ccc([C@@H]2C[C@H](C)[N@@H+](CCCSCC#N)C2)cc1 ZINC000074991211 1030629097 /nfs/dbraw/zinc/62/90/97/1030629097.db2.gz HYDKPCYXHHRPEN-GOEBONIOSA-N 1 1 304.459 3.520 10 30 DHEEMO O=C1C[C@@H](c2ccccc2F)CC2=[NH+][C@H]3CCCC[C@@H]3NC=C12 ZINC000017032465 182069887 /nfs/dbraw/zinc/06/98/87/182069887.db2.gz GOKJMAAKPXOLQQ-ZLIFDBKOSA-N 1 1 312.388 3.512 10 30 DHEEMO C=CCCCCC[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195278835 335102912 /nfs/dbraw/zinc/10/29/12/335102912.db2.gz MMEHUUVZSUMMRM-LJQANCHMSA-N 1 1 301.478 3.582 10 30 DHEEMO C=C[C@@H](CC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C)c1ccccc1 ZINC000120743072 334334058 /nfs/dbraw/zinc/33/40/58/334334058.db2.gz QCZOIQZSBFUHDI-HKUYNNGSSA-N 1 1 323.440 3.542 10 30 DHEEMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000245427653 526769741 /nfs/dbraw/zinc/76/97/41/526769741.db2.gz WGGIEHZOHPCURR-DZGCQCFKSA-N 1 1 317.458 3.603 10 30 DHEEMO CCSc1nc2c(c(-c3ccccc3)c1C#N)C[N@@H+](C)CC2 ZINC000040570067 183104000 /nfs/dbraw/zinc/10/40/00/183104000.db2.gz JYZLFDXFXMTTJD-UHFFFAOYSA-N 1 1 309.438 3.720 10 30 DHEEMO CCc1csc([C@@H]2CCC[N@@H+](CCCSCC#N)C2)n1 ZINC000173876769 333079271 /nfs/dbraw/zinc/07/92/71/333079271.db2.gz SZDLSLKYYJTYJL-CYBMUJFWSA-N 1 1 309.504 3.532 10 30 DHEEMO N#CCCCC[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161174824 333372139 /nfs/dbraw/zinc/37/21/39/333372139.db2.gz PRGIHDDQCOXMKJ-HUUCEWRRSA-N 1 1 312.335 3.507 10 30 DHEEMO C=C[C@H](CC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C)c1ccccc1 ZINC000120742780 334333974 /nfs/dbraw/zinc/33/39/74/334333974.db2.gz QCZOIQZSBFUHDI-MJGOQNOKSA-N 1 1 323.440 3.542 10 30 DHEEMO Cc1cc(SCC[N@H+](C)Cc2ccccc2)c(C#N)c(C)n1 ZINC000302827074 336370894 /nfs/dbraw/zinc/37/08/94/336370894.db2.gz BARKFYNUJDPUOY-UHFFFAOYSA-N 1 1 311.454 3.794 10 30 DHEEMO CCc1nccn1[C@@H]1CCC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000249414032 341397396 /nfs/dbraw/zinc/39/73/96/341397396.db2.gz YPBRYABSRKXRLI-CRAIPNDOSA-N 1 1 308.429 3.715 10 30 DHEEMO C(/C=C\c1ccccc1)=N\N1CC[NH+](Cc2ccccc2)CC1 ZINC000033403517 518369418 /nfs/dbraw/zinc/36/94/18/518369418.db2.gz IUYKBDHNKXPWCD-JVYLRKJRSA-N 1 1 305.425 3.503 10 30 DHEEMO C=CCC[C@@H](C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1)Oc1cccc(C#N)n1 ZINC000072429127 563813979 /nfs/dbraw/zinc/81/39/79/563813979.db2.gz MLNGHHFJHHMWJF-SCTDSRPQSA-N 1 1 323.440 3.565 10 30 DHEEMO CCCCc1nc(Cl)c(C[NH2+]Cc2cccc(C#N)c2)[nH]1 ZINC000088399008 185248573 /nfs/dbraw/zinc/24/85/73/185248573.db2.gz XJAYSMSIIYXRKZ-UHFFFAOYSA-N 1 1 302.809 3.567 10 30 DHEEMO CC[N@H+]1CCc2c(cccc2Nc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000301673748 336322561 /nfs/dbraw/zinc/32/25/61/336322561.db2.gz BAVICJBOGXEJAG-UHFFFAOYSA-N 1 1 322.368 3.588 10 30 DHEEMO CC[N@H+]1CCC[C@@H]1CNc1cc(C#N)c2cc(Cl)ccc2n1 ZINC000301940568 336339089 /nfs/dbraw/zinc/33/90/89/336339089.db2.gz ZOCUHIOIETZFMR-CQSZACIVSA-N 1 1 314.820 3.656 10 30 DHEEMO CC(C)[N@H+]1C[C@@H](C)[C@H](Nc2cc(C#N)ccc2C(F)(F)F)C1 ZINC000302285250 336356704 /nfs/dbraw/zinc/35/67/04/336356704.db2.gz LKJVSELFALJFII-IAQYHMDHSA-N 1 1 311.351 3.718 10 30 DHEEMO Cc1ccccc1[C@H](C)[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000181536636 337182803 /nfs/dbraw/zinc/18/28/03/337182803.db2.gz JIDPVOOLJBJYQY-AWEZNQCLSA-N 1 1 318.380 3.768 10 30 DHEEMO Cc1ccc([C@@H](C)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000181409968 337183991 /nfs/dbraw/zinc/18/39/91/337183991.db2.gz KJDGXLDKQTXLDJ-MRXNPFEDSA-N 1 1 323.440 3.775 10 30 DHEEMO C=CCC[C@@H](O)C[N@H+](Cc1ccco1)Cc1ccccc1F ZINC000036102992 518717780 /nfs/dbraw/zinc/71/77/80/518717780.db2.gz AOADBSKWDXMIFO-MRXNPFEDSA-N 1 1 303.377 3.748 10 30 DHEEMO C=CCC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1ccccc1F ZINC000036102992 518717784 /nfs/dbraw/zinc/71/77/84/518717784.db2.gz AOADBSKWDXMIFO-MRXNPFEDSA-N 1 1 303.377 3.748 10 30 DHEEMO C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1ccc(C)o1)[C@@H]2CC ZINC000248054803 257109113 /nfs/dbraw/zinc/10/91/13/257109113.db2.gz BTUJPDBTTIFKRH-IEBWSBKVSA-N 1 1 316.445 3.510 10 30 DHEEMO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000137124148 341272880 /nfs/dbraw/zinc/27/28/80/341272880.db2.gz VFLCDNWMTQXKDJ-ZWNOBZJWSA-N 1 1 313.626 3.884 10 30 DHEEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccccc1C(C)(C)C#N ZINC000245938170 341319024 /nfs/dbraw/zinc/31/90/24/341319024.db2.gz AJBYZDGDDZTSNY-ROUUACIJSA-N 1 1 311.473 3.546 10 30 DHEEMO CCc1nccn1[C@H]1CCC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000249414036 341397465 /nfs/dbraw/zinc/39/74/65/341397465.db2.gz YPBRYABSRKXRLI-QAPCUYQASA-N 1 1 308.429 3.715 10 30 DHEEMO C=CC[N@H+](Cc1ccco1)Cc1cccc(Cn2cccn2)c1 ZINC000055344774 563816734 /nfs/dbraw/zinc/81/67/34/563816734.db2.gz SOQUHELQUNGRGZ-UHFFFAOYSA-N 1 1 307.397 3.713 10 30 DHEEMO C=CC[N@@H+](Cc1ccco1)Cc1cccc(Cn2cccn2)c1 ZINC000055344774 563816736 /nfs/dbraw/zinc/81/67/36/563816736.db2.gz SOQUHELQUNGRGZ-UHFFFAOYSA-N 1 1 307.397 3.713 10 30 DHEEMO CC(C)[N@H+]1C[C@H](C)[C@H](Nc2cc(C#N)ccc2C(F)(F)F)C1 ZINC000302285256 336356690 /nfs/dbraw/zinc/35/66/90/336356690.db2.gz LKJVSELFALJFII-XHDPSFHLSA-N 1 1 311.351 3.718 10 30 DHEEMO C[N@H+]1CC[C@@H](CNC(=O)C2=CCCCCC2)[C@@H]1c1cccnc1 ZINC000328641459 257263087 /nfs/dbraw/zinc/26/30/87/257263087.db2.gz XWXGFAKCSPRJPZ-ROUUACIJSA-N 1 1 313.445 3.921 10 30 DHEEMO Cc1csc([C@H]2CCC[N@H+](Cc3ccc(F)cc3C#N)C2)n1 ZINC000171382342 337086418 /nfs/dbraw/zinc/08/64/18/337086418.db2.gz XYJHJYCAQGZTMF-AWEZNQCLSA-N 1 1 315.417 3.842 10 30 DHEEMO Cc1csc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3C#N)C2)n1 ZINC000171382342 337086419 /nfs/dbraw/zinc/08/64/19/337086419.db2.gz XYJHJYCAQGZTMF-AWEZNQCLSA-N 1 1 315.417 3.842 10 30 DHEEMO CCc1csc([C@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)n1 ZINC000157040456 522117335 /nfs/dbraw/zinc/11/73/35/522117335.db2.gz VHKPAWDOLISVTL-INIZCTEOSA-N 1 1 311.454 3.957 10 30 DHEEMO C[NH+](C)CC#Cc1ccc(C(=O)/C=C/c2cccs2)s1 ZINC000033376393 524042109 /nfs/dbraw/zinc/04/21/09/524042109.db2.gz JKHJITNRLFQNBM-VQHVLOKHSA-N 1 1 301.436 3.619 10 30 DHEEMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)s1 ZINC000180241331 526611445 /nfs/dbraw/zinc/61/14/45/526611445.db2.gz HPWNMQNELXFIQR-CRAIPNDOSA-N 1 1 312.438 3.708 10 30 DHEEMO N#CCCCC[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161174580 333372106 /nfs/dbraw/zinc/37/21/06/333372106.db2.gz PRGIHDDQCOXMKJ-LSDHHAIUSA-N 1 1 312.335 3.507 10 30 DHEEMO Cc1[nH+]ccn1Cc1cccc(CNc2ccc(C#N)cc2F)c1 ZINC000301541669 336313578 /nfs/dbraw/zinc/31/35/78/336313578.db2.gz SHWOGKNGLIQTOW-UHFFFAOYSA-N 1 1 320.371 3.863 10 30 DHEEMO Cc1cc(NCCCC[N@@H+]2CCCC[C@@H]2C)c(C#N)c(C)n1 ZINC000301791076 336330015 /nfs/dbraw/zinc/33/00/15/336330015.db2.gz QUXNKNSJRACUDF-HNNXBMFYSA-N 1 1 300.450 3.637 10 30 DHEEMO CN(C)/C=[NH+]/c1ncc(C2CCCCC2)nc1Br ZINC000584605492 337371538 /nfs/dbraw/zinc/37/15/38/337371538.db2.gz SXSYDHJVUOOQLB-CXUHLZMHSA-N 1 1 311.227 3.508 10 30 DHEEMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000074022742 1018906143 /nfs/dbraw/zinc/90/61/43/1018906143.db2.gz ODTSYAVYIRMXHK-QAPCUYQASA-N 1 1 311.429 3.541 10 30 DHEEMO C=C[C@H](CC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C)c1ccccc1 ZINC000120742935 334334126 /nfs/dbraw/zinc/33/41/26/334334126.db2.gz QCZOIQZSBFUHDI-IEBWSBKVSA-N 1 1 323.440 3.542 10 30 DHEEMO C=CCC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1ccc(F)cc1 ZINC000036102492 518718407 /nfs/dbraw/zinc/71/84/07/518718407.db2.gz QHPNPLUAMVZTPV-QGZVFWFLSA-N 1 1 303.377 3.748 10 30 DHEEMO N#CCCCC[N@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000161174458 333371789 /nfs/dbraw/zinc/37/17/89/333371789.db2.gz PRGIHDDQCOXMKJ-GJZGRUSLSA-N 1 1 312.335 3.507 10 30 DHEEMO CC[N@H+]1CCc2c(cccc2Nc2ccc(Cl)c(C#N)n2)C1 ZINC000301689867 336323636 /nfs/dbraw/zinc/32/36/36/336323636.db2.gz JUBNGXAFUFMQMW-UHFFFAOYSA-N 1 1 312.804 3.728 10 30 DHEEMO N#Cc1ccc(N2CCC(Nc3[nH]c4ccccc4[nH+]3)CC2)cc1 ZINC000301892219 336336617 /nfs/dbraw/zinc/33/66/17/336336617.db2.gz RWRBYXLGXWVGAO-UHFFFAOYSA-N 1 1 317.396 3.515 10 30 DHEEMO CC(C)[N@@H+]1C[C@H](Nc2cc(C#N)ccc2C(F)(F)F)[C@@H](C)C1 ZINC000302285253 336356692 /nfs/dbraw/zinc/35/66/92/336356692.db2.gz LKJVSELFALJFII-NHYWBVRUSA-N 1 1 311.351 3.718 10 30 DHEEMO C=CCCC[C@H](C)NC(=O)N1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000181110609 337179863 /nfs/dbraw/zinc/17/98/63/337179863.db2.gz GTVCGIQYNHZWOP-JKSUJKDBSA-N 1 1 318.465 3.537 10 30 DHEEMO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cccs1 ZINC000182546310 337188924 /nfs/dbraw/zinc/18/89/24/337188924.db2.gz UBZGRMAKPHWXDQ-NSHDSACASA-N 1 1 310.382 3.521 10 30 DHEEMO CCn1c2ccccc2nc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000237219275 523293189 /nfs/dbraw/zinc/29/31/89/523293189.db2.gz OGIXAQVPNVWYAP-CQSZACIVSA-N 1 1 304.397 3.779 10 30 DHEEMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)s1 ZINC000180241294 526613368 /nfs/dbraw/zinc/61/33/68/526613368.db2.gz HPWNMQNELXFIQR-MAUKXSAKSA-N 1 1 312.438 3.708 10 30 DHEEMO COc1ccc([C@@H]2C[C@@H](C)[N@@H+](CCCSCC#N)C2)cc1 ZINC000074991210 1030627254 /nfs/dbraw/zinc/62/72/54/1030627254.db2.gz HYDKPCYXHHRPEN-GDBMZVCRSA-N 1 1 304.459 3.520 10 30 DHEEMO N#CCCCC[N@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000161174700 333372114 /nfs/dbraw/zinc/37/21/14/333372114.db2.gz PRGIHDDQCOXMKJ-CABCVRRESA-N 1 1 312.335 3.507 10 30 DHEEMO N#Cc1nc(N[C@@H]2CCC[N@H+](C3CCCCC3)C2)ccc1Cl ZINC000301172250 336293247 /nfs/dbraw/zinc/29/32/47/336293247.db2.gz GVHXROKRSFUAMB-CYBMUJFWSA-N 1 1 318.852 3.816 10 30 DHEEMO CCC[N@H+]1CCCN(c2c(C#N)cnc3c(C)cc(C)cc32)CC1 ZINC000301395271 336304206 /nfs/dbraw/zinc/30/42/06/336304206.db2.gz LHIBYWZKRWCWAQ-UHFFFAOYSA-N 1 1 322.456 3.645 10 30 DHEEMO Cc1cc(NCCCC[N@@H+]2CCCC[C@H]2C)c(C#N)c(C)n1 ZINC000301791077 336330044 /nfs/dbraw/zinc/33/00/44/336330044.db2.gz QUXNKNSJRACUDF-OAHLLOKOSA-N 1 1 300.450 3.637 10 30 DHEEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@@H](C)c1cccc(C#N)c1 ZINC000189877828 337282612 /nfs/dbraw/zinc/28/26/12/337282612.db2.gz AHYUXTQPQJAEQO-KSSFIOAISA-N 1 1 308.429 3.807 10 30 DHEEMO CCn1c2ccccc2nc1[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000192181251 337303786 /nfs/dbraw/zinc/30/37/86/337303786.db2.gz UVODWDPUFQNPSU-CYBMUJFWSA-N 1 1 322.387 3.918 10 30 DHEEMO CCn1c2ccccc2nc1[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000237220656 523293618 /nfs/dbraw/zinc/29/36/18/523293618.db2.gz SGNLKBJACOXYLO-CQSZACIVSA-N 1 1 304.397 3.779 10 30 DHEEMO Cc1cc(NCCC[N@H+](C)Cc2ccccc2)c(C#N)c(C)n1 ZINC000301651753 336320906 /nfs/dbraw/zinc/32/09/06/336320906.db2.gz GLBQTZASABLIBB-UHFFFAOYSA-N 1 1 308.429 3.504 10 30 DHEEMO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cccs1 ZINC000182546328 337188875 /nfs/dbraw/zinc/18/88/75/337188875.db2.gz UBZGRMAKPHWXDQ-LLVKDONJSA-N 1 1 310.382 3.521 10 30 DHEEMO CCn1c2ccccc2nc1[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000192181255 337303796 /nfs/dbraw/zinc/30/37/96/337303796.db2.gz UVODWDPUFQNPSU-ZDUSSCGKSA-N 1 1 322.387 3.918 10 30 DHEEMO CCn1c2ccccc2nc1[C@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000177703874 341924487 /nfs/dbraw/zinc/92/44/87/341924487.db2.gz NWDDZKVLWKXUPK-LBPRGKRZSA-N 1 1 310.426 3.840 10 30 DHEEMO C=CC[N@@H+](Cc1ccc(C)s1)Cc1c(O)cccc1OC ZINC000067561356 518778798 /nfs/dbraw/zinc/77/87/98/518778798.db2.gz GQDJZGXIYMZFRN-UHFFFAOYSA-N 1 1 303.427 3.959 10 30 DHEEMO C=CCc1cc(C[NH2+]Cc2ccco2)cc(OC)c1OCC ZINC000013731276 519131897 /nfs/dbraw/zinc/13/18/97/519131897.db2.gz CPYUDIIOWXEHDM-UHFFFAOYSA-N 1 1 301.386 3.705 10 30 DHEEMO CCc1csc([C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)n1 ZINC000157045985 522118105 /nfs/dbraw/zinc/11/81/05/522118105.db2.gz AOSCSPJPXGANIO-INIZCTEOSA-N 1 1 311.454 3.957 10 30 DHEEMO