smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)C1(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)CCCC1 ZINC000329096429 227294131 /nfs/dbraw/zinc/29/41/31/227294131.db2.gz BSYKQYCBONUAHL-ZDUSSCGKSA-N 2 2 298.431 0.695 10 30 CCEELP C[NH+](C)C1(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)CCCC1 ZINC000329096429 227294133 /nfs/dbraw/zinc/29/41/33/227294133.db2.gz BSYKQYCBONUAHL-ZDUSSCGKSA-N 2 2 298.431 0.695 10 30 CCEELP C[C@@H]1CCCN(C(=[NH2+])NC[C@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000262708951 330028358 /nfs/dbraw/zinc/02/83/58/330028358.db2.gz OMRQIMCUTDSVAJ-OCCSQVGLSA-N 2 2 280.416 0.896 10 30 CCEELP C[C@@H]1CCCN(C(=[NH2+])NC[C@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000262708951 330028360 /nfs/dbraw/zinc/02/83/60/330028360.db2.gz OMRQIMCUTDSVAJ-OCCSQVGLSA-N 2 2 280.416 0.896 10 30 CCEELP CC1CCN(C(=[NH2+])NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000262724783 330028677 /nfs/dbraw/zinc/02/86/77/330028677.db2.gz YGOBAPWZYMRXOC-AWEZNQCLSA-N 2 2 280.416 0.896 10 30 CCEELP CC1CCN(C(=[NH2+])NC[C@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000262724783 330028678 /nfs/dbraw/zinc/02/86/78/330028678.db2.gz YGOBAPWZYMRXOC-AWEZNQCLSA-N 2 2 280.416 0.896 10 30 CCEELP C[NH+](C)CCN1CC[NH+]([C@H]2CCC[C@H]2C#N)CC1 ZINC000061644267 521766771 /nfs/dbraw/zinc/76/67/71/521766771.db2.gz HRJJTFVSJSALQT-KBPBESRZSA-N 2 2 250.390 0.858 10 30 CCEELP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)NC[C@@]1(C)CCCO1 ZINC000154525972 613219789 /nfs/dbraw/zinc/21/97/89/613219789.db2.gz JDYIXCYSSPTEHY-TZMCWYRMSA-N 2 2 284.404 0.051 10 30 CCEELP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)NC[C@@]1(C)CCCO1 ZINC000154525972 613219791 /nfs/dbraw/zinc/21/97/91/613219791.db2.gz JDYIXCYSSPTEHY-TZMCWYRMSA-N 2 2 284.404 0.051 10 30 CCEELP C[NH+]=C(NCC[NH+]1CCC1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261998960 625009696 /nfs/dbraw/zinc/00/96/96/625009696.db2.gz TVTVENBPYYWPPA-ZIAGYGMSSA-N 3 2 281.448 0.586 10 30 CCEELP C[NH+]=C(NCC[NH+]1CCC1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261998960 625009703 /nfs/dbraw/zinc/00/97/03/625009703.db2.gz TVTVENBPYYWPPA-ZIAGYGMSSA-N 3 2 281.448 0.586 10 30 CCEELP C#CC[NH+]1CCC([NH2+][C@H](CC(C)C)C(=O)NC)CC1 ZINC000037320794 173120706 /nfs/dbraw/zinc/12/07/06/173120706.db2.gz HLMJZJCNFZIJKW-CQSZACIVSA-N 2 2 265.401 0.834 10 30 CCEELP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N[C@@H]1C[C@@H]1C ZINC000262687493 330027182 /nfs/dbraw/zinc/02/71/82/330027182.db2.gz BAPLWKWIRQWAJP-QJPTWQEYSA-N 2 2 254.378 0.281 10 30 CCEELP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N[C@@H]1C[C@@H]1C ZINC000262687493 330027183 /nfs/dbraw/zinc/02/71/83/330027183.db2.gz BAPLWKWIRQWAJP-QJPTWQEYSA-N 2 2 254.378 0.281 10 30 CCEELP [NH2+]=C(NCC1CCC1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000262715076 330028412 /nfs/dbraw/zinc/02/84/12/330028412.db2.gz RFVCNHNKOSCILO-ZDUSSCGKSA-N 2 2 266.389 0.554 10 30 CCEELP [NH2+]=C(NCC1CCC1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000262715076 330028413 /nfs/dbraw/zinc/02/84/13/330028413.db2.gz RFVCNHNKOSCILO-ZDUSSCGKSA-N 2 2 266.389 0.554 10 30 CCEELP C[N@@H+]1CCO[C@@H](CNC(=[NH2+])NCCc2cccs2)C1 ZINC000262023876 631761233 /nfs/dbraw/zinc/76/12/33/631761233.db2.gz YUTFDKCHPFNQQU-NSHDSACASA-N 2 2 282.413 0.526 10 30 CCEELP C[N@H+]1CCO[C@@H](CNC(=[NH2+])NCCc2cccs2)C1 ZINC000262023876 631761237 /nfs/dbraw/zinc/76/12/37/631761237.db2.gz YUTFDKCHPFNQQU-NSHDSACASA-N 2 2 282.413 0.526 10 30 CCEELP [NH2+]=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N1CCSCC1 ZINC000262724779 330028716 /nfs/dbraw/zinc/02/87/16/330028716.db2.gz YFMNKMRDMXGZPT-GFCCVEGCSA-N 2 2 284.429 0.213 10 30 CCEELP [NH2+]=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N1CCSCC1 ZINC000262724779 330028718 /nfs/dbraw/zinc/02/87/18/330028718.db2.gz YFMNKMRDMXGZPT-GFCCVEGCSA-N 2 2 284.429 0.213 10 30 CCEELP CC[C@H]1C[N@H+](CCNC(=[NH2+])N2CCSCC2)CCO1 ZINC000262815099 330033699 /nfs/dbraw/zinc/03/36/99/330033699.db2.gz VJOCJEMHYIWKOR-LBPRGKRZSA-N 2 2 286.445 0.461 10 30 CCEELP CC[C@H]1C[N@@H+](CCNC(=[NH2+])N2CCSCC2)CCO1 ZINC000262815099 330033700 /nfs/dbraw/zinc/03/37/00/330033700.db2.gz VJOCJEMHYIWKOR-LBPRGKRZSA-N 2 2 286.445 0.461 10 30 CCEELP C[NH+]=C(NCC1CCC1)NC[C@@H]1C[N@H+](C)CCO1 ZINC000262906746 330036656 /nfs/dbraw/zinc/03/66/56/330036656.db2.gz JBTGXXWPWWMLIC-GFCCVEGCSA-N 2 2 254.378 0.282 10 30 CCEELP C[NH+]=C(NCC1CCC1)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000262906746 330036658 /nfs/dbraw/zinc/03/66/58/330036658.db2.gz JBTGXXWPWWMLIC-GFCCVEGCSA-N 2 2 254.378 0.282 10 30 CCEELP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193628795 389075734 /nfs/dbraw/zinc/07/57/34/389075734.db2.gz MDORCWIXNIVZPC-RWMBFGLXSA-N 2 2 264.373 0.240 10 30 CCEELP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193628795 389075738 /nfs/dbraw/zinc/07/57/38/389075738.db2.gz MDORCWIXNIVZPC-RWMBFGLXSA-N 2 2 264.373 0.240 10 30 CCEELP C[C@@H](C(=O)N(C)CCC#N)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193628795 389075743 /nfs/dbraw/zinc/07/57/43/389075743.db2.gz MDORCWIXNIVZPC-RWMBFGLXSA-N 2 2 264.373 0.240 10 30 CCEELP C[C@@H](C(=O)N(C)CCC#N)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193628795 389075747 /nfs/dbraw/zinc/07/57/47/389075747.db2.gz MDORCWIXNIVZPC-RWMBFGLXSA-N 2 2 264.373 0.240 10 30 CCEELP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193639578 389076376 /nfs/dbraw/zinc/07/63/76/389076376.db2.gz QYFISAKJKVRZQH-MCIONIFRSA-N 2 2 278.400 0.488 10 30 CCEELP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193639578 389076380 /nfs/dbraw/zinc/07/63/80/389076380.db2.gz QYFISAKJKVRZQH-MCIONIFRSA-N 2 2 278.400 0.488 10 30 CCEELP CCN(C[C@H](C)C#N)C(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193639578 389076382 /nfs/dbraw/zinc/07/63/82/389076382.db2.gz QYFISAKJKVRZQH-MCIONIFRSA-N 2 2 278.400 0.488 10 30 CCEELP CCN(C[C@H](C)C#N)C(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193639578 389076384 /nfs/dbraw/zinc/07/63/84/389076384.db2.gz QYFISAKJKVRZQH-MCIONIFRSA-N 2 2 278.400 0.488 10 30 CCEELP CN(CCC#N)C(=O)C[N@H+](C)C1CC[NH+](C)CC1 ZINC000034652451 171847545 /nfs/dbraw/zinc/84/75/45/171847545.db2.gz PSSFHMZVHCZJFZ-UHFFFAOYSA-N 2 2 252.362 0.384 10 30 CCEELP CN(CCC#N)C(=O)C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000034652451 171847546 /nfs/dbraw/zinc/84/75/46/171847546.db2.gz PSSFHMZVHCZJFZ-UHFFFAOYSA-N 2 2 252.362 0.384 10 30 CCEELP C[NH+]1CCC(NC(=O)N2CCn3cc[nH+]c3C2)CC1 ZINC000329434601 545022819 /nfs/dbraw/zinc/02/28/19/545022819.db2.gz LMAJOODNAGWTFL-UHFFFAOYSA-N 2 2 263.345 0.707 10 30 CCEELP N#CCNC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000108858362 262065389 /nfs/dbraw/zinc/06/53/89/262065389.db2.gz JHRGKTFYRXGONR-GFCCVEGCSA-N 2 2 273.340 0.455 10 30 CCEELP N#CCNC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000108858362 262065392 /nfs/dbraw/zinc/06/53/92/262065392.db2.gz JHRGKTFYRXGONR-GFCCVEGCSA-N 2 2 273.340 0.455 10 30 CCEELP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515902 389128836 /nfs/dbraw/zinc/12/88/36/389128836.db2.gz SFCWRPZWPPZHFJ-ZIAGYGMSSA-N 2 2 286.379 0.953 10 30 CCEELP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515902 389128838 /nfs/dbraw/zinc/12/88/38/389128838.db2.gz SFCWRPZWPPZHFJ-ZIAGYGMSSA-N 2 2 286.379 0.953 10 30 CCEELP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000329274148 227398922 /nfs/dbraw/zinc/39/89/22/227398922.db2.gz AYRHQXNUKYLSQB-CHWSQXEVSA-N 2 2 296.415 0.447 10 30 CCEELP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000329274148 227398926 /nfs/dbraw/zinc/39/89/26/227398926.db2.gz AYRHQXNUKYLSQB-CHWSQXEVSA-N 2 2 296.415 0.447 10 30 CCEELP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)NC1CCCC1 ZINC000263249506 330050647 /nfs/dbraw/zinc/05/06/47/330050647.db2.gz OGZAWNBCIOUEJL-GFCCVEGCSA-N 2 2 254.378 0.425 10 30 CCEELP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)NC1CCCC1 ZINC000263249506 330050649 /nfs/dbraw/zinc/05/06/49/330050649.db2.gz OGZAWNBCIOUEJL-GFCCVEGCSA-N 2 2 254.378 0.425 10 30 CCEELP C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261940155 624871366 /nfs/dbraw/zinc/87/13/66/624871366.db2.gz DKDZZDLRGLOMSP-QWHCGFSZSA-N 2 2 295.431 0.066 10 30 CCEELP C[NH+](C)C[C@H]1CN(c2cc(N)[nH+]cc2C#N)CCO1 ZINC000584633074 359184102 /nfs/dbraw/zinc/18/41/02/359184102.db2.gz SOARRSCLYCDILA-NSHDSACASA-N 2 2 261.329 0.133 10 30 CCEELP C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)[C@@H](C[NH3+])C1 ZINC000228243015 389153088 /nfs/dbraw/zinc/15/30/88/389153088.db2.gz BWQMVRNDALEUHD-LBPRGKRZSA-N 2 2 275.312 0.546 10 30 CCEELP C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)[C@@H](C[NH3+])C1 ZINC000228243015 389153090 /nfs/dbraw/zinc/15/30/90/389153090.db2.gz BWQMVRNDALEUHD-LBPRGKRZSA-N 2 2 275.312 0.546 10 30 CCEELP [NH2+]=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)NC1CCC1 ZINC000263195498 330048492 /nfs/dbraw/zinc/04/84/92/330048492.db2.gz WJWKPGQKTRPOAE-GFCCVEGCSA-N 2 2 252.362 0.306 10 30 CCEELP [NH2+]=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)NC1CCC1 ZINC000263195498 330048493 /nfs/dbraw/zinc/04/84/93/330048493.db2.gz WJWKPGQKTRPOAE-GFCCVEGCSA-N 2 2 252.362 0.306 10 30 CCEELP Cc1cc(NC2CC[NH+](CC(N)=O)CC2)c(C#N)c(C)[nH+]1 ZINC000156838853 525264198 /nfs/dbraw/zinc/26/41/98/525264198.db2.gz BZJCACNLPCFXSA-UHFFFAOYSA-N 2 2 287.367 0.932 10 30 CCEELP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249898397 352502739 /nfs/dbraw/zinc/50/27/39/352502739.db2.gz SFCWRPZWPPZHFJ-KBPBESRZSA-N 2 2 286.379 0.953 10 30 CCEELP CC[NH+]=C(NCC1CC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262504012 330018195 /nfs/dbraw/zinc/01/81/95/330018195.db2.gz ZHZWMWZDXDFHHA-AWEZNQCLSA-N 2 2 280.416 0.768 10 30 CCEELP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000071147412 176043080 /nfs/dbraw/zinc/04/30/80/176043080.db2.gz OZIQTRFTZIQMHI-BXUZGUMPSA-N 2 2 264.373 0.336 10 30 CCEELP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000071147412 176043081 /nfs/dbraw/zinc/04/30/81/176043081.db2.gz OZIQTRFTZIQMHI-BXUZGUMPSA-N 2 2 264.373 0.336 10 30 CCEELP CC[NH+]=C(NC1CCC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262817379 330033728 /nfs/dbraw/zinc/03/37/28/330033728.db2.gz WZTUMBVYMNLYQT-CQSZACIVSA-N 2 2 280.416 0.911 10 30 CCEELP C[N@H+](CCN1CC[NH2+]CC1)Cc1cccnc1C#N ZINC000071150875 176044877 /nfs/dbraw/zinc/04/48/77/176044877.db2.gz WIBNBONLVSBQFQ-UHFFFAOYSA-N 2 2 259.357 0.290 10 30 CCEELP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cccnc1C#N ZINC000071150875 176044878 /nfs/dbraw/zinc/04/48/78/176044878.db2.gz WIBNBONLVSBQFQ-UHFFFAOYSA-N 2 2 259.357 0.290 10 30 CCEELP C[NH+](C)C1(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)CCCC1 ZINC000329096427 227294298 /nfs/dbraw/zinc/29/42/98/227294298.db2.gz BSYKQYCBONUAHL-CYBMUJFWSA-N 2 2 298.431 0.695 10 30 CCEELP C[NH+](C)C1(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CCCC1 ZINC000329096427 227294302 /nfs/dbraw/zinc/29/43/02/227294302.db2.gz BSYKQYCBONUAHL-CYBMUJFWSA-N 2 2 298.431 0.695 10 30 CCEELP C[NH+]=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)NC1CC1 ZINC000262471767 330015668 /nfs/dbraw/zinc/01/56/68/330015668.db2.gz ACUZVKCXWZCNFV-LBPRGKRZSA-N 2 2 252.362 0.177 10 30 CCEELP C[NH+]=C(NC[C@H]1C[N@H+](C2CC2)CCO1)NC1CC1 ZINC000262471767 330015669 /nfs/dbraw/zinc/01/56/69/330015669.db2.gz ACUZVKCXWZCNFV-LBPRGKRZSA-N 2 2 252.362 0.177 10 30 CCEELP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)NC[C@]1(C)CCCO1 ZINC000154526070 613220211 /nfs/dbraw/zinc/22/02/11/613220211.db2.gz JDYIXCYSSPTEHY-OCCSQVGLSA-N 2 2 284.404 0.051 10 30 CCEELP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)NC[C@]1(C)CCCO1 ZINC000154526070 613220214 /nfs/dbraw/zinc/22/02/14/613220214.db2.gz JDYIXCYSSPTEHY-OCCSQVGLSA-N 2 2 284.404 0.051 10 30 CCEELP C[NH+](C)C[C@@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)CCO1 ZINC000128228976 350188719 /nfs/dbraw/zinc/18/87/19/350188719.db2.gz HWLGJVOAGHKOLW-OAHLLOKOSA-N 2 2 299.378 0.968 10 30 CCEELP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H]2CCC[C@H]2C#N)CC1 ZINC000408196058 389833383 /nfs/dbraw/zinc/83/33/83/389833383.db2.gz AEKDFTLYSSEPOF-MELADBBJSA-N 2 2 278.400 0.821 10 30 CCEELP C#CC[NH+]1CCC([NH2+]CCC(=O)N2CCCC2)CC1 ZINC000037228819 173049314 /nfs/dbraw/zinc/04/93/14/173049314.db2.gz XKBIZQCXWBXIIU-UHFFFAOYSA-N 2 2 263.385 0.686 10 30 CCEELP C=CCNc1nc[nH+]c(NCCC[NH+]2CCOCC2)c1N ZINC000040708915 174380459 /nfs/dbraw/zinc/38/04/59/174380459.db2.gz UALWNIMINMGTML-UHFFFAOYSA-N 2 2 292.387 0.791 10 30 CCEELP C=CCNc1[nH+]cnc(NCCC[NH+]2CCOCC2)c1N ZINC000040708915 174380460 /nfs/dbraw/zinc/38/04/60/174380460.db2.gz UALWNIMINMGTML-UHFFFAOYSA-N 2 2 292.387 0.791 10 30 CCEELP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N(C)Cc1cccn1C ZINC000160882572 264263331 /nfs/dbraw/zinc/26/33/31/264263331.db2.gz PTWMYPDNKNUPRD-CQSZACIVSA-N 2 2 293.415 0.363 10 30 CCEELP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N(C)Cc1cccn1C ZINC000160882572 264263332 /nfs/dbraw/zinc/26/33/32/264263332.db2.gz PTWMYPDNKNUPRD-CQSZACIVSA-N 2 2 293.415 0.363 10 30 CCEELP [NH2+]=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)NC1CCCC1 ZINC000262706570 330028256 /nfs/dbraw/zinc/02/82/56/330028256.db2.gz MZRSBPWALRDLGY-CYBMUJFWSA-N 2 2 266.389 0.697 10 30 CCEELP [NH2+]=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)NC1CCCC1 ZINC000262706570 330028258 /nfs/dbraw/zinc/02/82/58/330028258.db2.gz MZRSBPWALRDLGY-CYBMUJFWSA-N 2 2 266.389 0.697 10 30 CCEELP C=C(Cl)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508419 174303683 /nfs/dbraw/zinc/30/36/83/174303683.db2.gz OAMSCNDQLLDQEF-LLVKDONJSA-N 2 2 257.765 0.635 10 30 CCEELP C=C(Cl)C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508419 174303684 /nfs/dbraw/zinc/30/36/84/174303684.db2.gz OAMSCNDQLLDQEF-LLVKDONJSA-N 2 2 257.765 0.635 10 30 CCEELP Cc1cc(N2CCN([C@H]3CC[NH2+]C3)CC2)c(C#N)c[nH+]1 ZINC000333323417 280559523 /nfs/dbraw/zinc/55/95/23/280559523.db2.gz UYCXQAGJXZYOJA-AWEZNQCLSA-N 2 2 271.368 0.746 10 30 CCEELP CC[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262502712 330018217 /nfs/dbraw/zinc/01/82/17/330018217.db2.gz YXUISGNJTMMLOR-MELADBBJSA-N 2 2 280.416 0.767 10 30 CCEELP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(C#N)cc1F ZINC000038031321 174024980 /nfs/dbraw/zinc/02/49/80/174024980.db2.gz RJEGQFOVGQCFGI-UHFFFAOYSA-N 2 2 290.342 0.561 10 30 CCEELP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(C#N)cc1F ZINC000038031321 174024981 /nfs/dbraw/zinc/02/49/81/174024981.db2.gz RJEGQFOVGQCFGI-UHFFFAOYSA-N 2 2 290.342 0.561 10 30 CCEELP C[C@H]1CCCN(C(=[NH2+])NC[C@@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000262708916 330028171 /nfs/dbraw/zinc/02/81/71/330028171.db2.gz OMRQIMCUTDSVAJ-GXTWGEPZSA-N 2 2 280.416 0.896 10 30 CCEELP C[C@H]1CCCN(C(=[NH2+])NC[C@@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000262708916 330028172 /nfs/dbraw/zinc/02/81/72/330028172.db2.gz OMRQIMCUTDSVAJ-GXTWGEPZSA-N 2 2 280.416 0.896 10 30 CCEELP C#CC[NH+]1CCC(NCC[N@@H+](C)CCOC)CC1 ZINC000061377072 518268755 /nfs/dbraw/zinc/26/87/55/518268755.db2.gz VTHSZAGOCYLMRB-UHFFFAOYSA-N 2 2 253.390 0.252 10 30 CCEELP C#CC[NH+]1CCC(NCC[N@H+](C)CCOC)CC1 ZINC000061377072 518268762 /nfs/dbraw/zinc/26/87/62/518268762.db2.gz VTHSZAGOCYLMRB-UHFFFAOYSA-N 2 2 253.390 0.252 10 30 CCEELP C[NH+]=C(NCCn1cc[nH+]c1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261971666 631740053 /nfs/dbraw/zinc/74/00/53/631740053.db2.gz MXWNRXNLKFTSPS-ZIAGYGMSSA-N 3 2 292.431 0.777 10 30 CCEELP C[NH+]=C(NCCn1cc[nH+]c1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261971666 631740057 /nfs/dbraw/zinc/74/00/57/631740057.db2.gz MXWNRXNLKFTSPS-ZIAGYGMSSA-N 3 2 292.431 0.777 10 30 CCEELP C[NH+](C)CCN1CC[NH+](CCC[C@](C)([NH3+])C#N)CC1 ZINC000061652850 521764695 /nfs/dbraw/zinc/76/46/95/521764695.db2.gz PDHTXKZQYCHDBL-AWEZNQCLSA-N 3 2 267.421 0.187 10 30 CCEELP CCN(CCC#N)C(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193617336 389074712 /nfs/dbraw/zinc/07/47/12/389074712.db2.gz CRVQSUYYDVVOSP-BETUJISGSA-N 2 2 264.373 0.242 10 30 CCEELP CCN(CCC#N)C(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193617336 389074714 /nfs/dbraw/zinc/07/47/14/389074714.db2.gz CRVQSUYYDVVOSP-BETUJISGSA-N 2 2 264.373 0.242 10 30 CCEELP CCN(CCC#N)C(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193617336 389074717 /nfs/dbraw/zinc/07/47/17/389074717.db2.gz CRVQSUYYDVVOSP-BETUJISGSA-N 2 2 264.373 0.242 10 30 CCEELP CCN(CCC#N)C(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193617336 389074720 /nfs/dbraw/zinc/07/47/20/389074720.db2.gz CRVQSUYYDVVOSP-BETUJISGSA-N 2 2 264.373 0.242 10 30 CCEELP C[C@H](C#N)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043345 278132593 /nfs/dbraw/zinc/13/25/93/278132593.db2.gz DFYMLMPBXCXTPK-OCCSQVGLSA-N 2 2 278.400 0.821 10 30 CCEELP C[C@H](C#N)CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043345 278132595 /nfs/dbraw/zinc/13/25/95/278132595.db2.gz DFYMLMPBXCXTPK-OCCSQVGLSA-N 2 2 278.400 0.821 10 30 CCEELP C=CCNC(=O)C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174887850 329164250 /nfs/dbraw/zinc/16/42/50/329164250.db2.gz XVCCDYNGQQTTKR-OAHLLOKOSA-N 2 2 294.443 0.391 10 30 CCEELP C=CCNC(=O)C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174887850 329164251 /nfs/dbraw/zinc/16/42/51/329164251.db2.gz XVCCDYNGQQTTKR-OAHLLOKOSA-N 2 2 294.443 0.391 10 30 CCEELP C[NH+]=C(NCC[N@@H+]1CCOC(C)(C)C1)N[C@@H]1C[C@H]1C ZINC000176384126 329174897 /nfs/dbraw/zinc/17/48/97/329174897.db2.gz FAFLAAIFUMFISL-VXGBXAGGSA-N 2 2 268.405 0.671 10 30 CCEELP C[NH+]=C(NCC[N@H+]1CCOC(C)(C)C1)N[C@@H]1C[C@H]1C ZINC000176384126 329174899 /nfs/dbraw/zinc/17/48/99/329174899.db2.gz FAFLAAIFUMFISL-VXGBXAGGSA-N 2 2 268.405 0.671 10 30 CCEELP C[NH+]=C(NCc1ccsc1)NC[C@H]1C[N@H+](C)CCO1 ZINC000262706181 330028185 /nfs/dbraw/zinc/02/81/85/330028185.db2.gz JQRSZTZXVZEHOR-LBPRGKRZSA-N 2 2 282.413 0.744 10 30 CCEELP C[NH+]=C(NCc1ccsc1)NC[C@H]1C[N@@H+](C)CCO1 ZINC000262706181 330028186 /nfs/dbraw/zinc/02/81/86/330028186.db2.gz JQRSZTZXVZEHOR-LBPRGKRZSA-N 2 2 282.413 0.744 10 30 CCEELP CC[C@@H]1C[N@H+](CC[NH+]=C(N(C)C)N(C)C)CCO1 ZINC000262764495 330029882 /nfs/dbraw/zinc/02/98/82/330029882.db2.gz GYXHPRXVOZREGM-GFCCVEGCSA-N 2 2 256.394 0.576 10 30 CCEELP CC[C@@H]1C[N@@H+](CC[NH+]=C(N(C)C)N(C)C)CCO1 ZINC000262764495 330029884 /nfs/dbraw/zinc/02/98/84/330029884.db2.gz GYXHPRXVOZREGM-GFCCVEGCSA-N 2 2 256.394 0.576 10 30 CCEELP CN1CCC[NH+]=C1NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000263145213 330045720 /nfs/dbraw/zinc/04/57/20/330045720.db2.gz ORNNCNZJDGNHLF-LBPRGKRZSA-N 2 2 252.362 0.131 10 30 CCEELP CN1CCC[NH+]=C1NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000263145213 330045721 /nfs/dbraw/zinc/04/57/21/330045721.db2.gz ORNNCNZJDGNHLF-LBPRGKRZSA-N 2 2 252.362 0.131 10 30 CCEELP CC[C@H]1C[N@H+](CCNC(=[NH2+])NC2CCC2)CCO1 ZINC000263165323 330046851 /nfs/dbraw/zinc/04/68/51/330046851.db2.gz REUCWFAFVWRLHQ-LBPRGKRZSA-N 2 2 254.378 0.554 10 30 CCEELP CC[C@H]1C[N@@H+](CCNC(=[NH2+])NC2CCC2)CCO1 ZINC000263165323 330046852 /nfs/dbraw/zinc/04/68/52/330046852.db2.gz REUCWFAFVWRLHQ-LBPRGKRZSA-N 2 2 254.378 0.554 10 30 CCEELP C[NH+](C)CCN1CC[NH+](CCC[C@@](C)([NH3+])C#N)CC1 ZINC000061652849 521764711 /nfs/dbraw/zinc/76/47/11/521764711.db2.gz PDHTXKZQYCHDBL-CQSZACIVSA-N 3 2 267.421 0.187 10 30 CCEELP [NH2+]=C(NCC1CCC1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000262715075 330028642 /nfs/dbraw/zinc/02/86/42/330028642.db2.gz RFVCNHNKOSCILO-CYBMUJFWSA-N 2 2 266.389 0.554 10 30 CCEELP [NH2+]=C(NCC1CCC1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000262715075 330028644 /nfs/dbraw/zinc/02/86/44/330028644.db2.gz RFVCNHNKOSCILO-CYBMUJFWSA-N 2 2 266.389 0.554 10 30 CCEELP CC[C@@H]1C[N@H+](CCNC(=[NH2+])NC2CCC2)CCO1 ZINC000263165322 330046872 /nfs/dbraw/zinc/04/68/72/330046872.db2.gz REUCWFAFVWRLHQ-GFCCVEGCSA-N 2 2 254.378 0.554 10 30 CCEELP CC[C@@H]1C[N@@H+](CCNC(=[NH2+])NC2CCC2)CCO1 ZINC000263165322 330046873 /nfs/dbraw/zinc/04/68/73/330046873.db2.gz REUCWFAFVWRLHQ-GFCCVEGCSA-N 2 2 254.378 0.554 10 30 CCEELP Cn1c[nH+]cc1CNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329639224 389181419 /nfs/dbraw/zinc/18/14/19/389181419.db2.gz ZEAYEOWHRNOZSQ-QWHCGFSZSA-N 2 2 293.371 0.239 10 30 CCEELP Cn1c[nH+]cc1CNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329639224 389181422 /nfs/dbraw/zinc/18/14/22/389181422.db2.gz ZEAYEOWHRNOZSQ-QWHCGFSZSA-N 2 2 293.371 0.239 10 30 CCEELP COC[C@@]1(CNc2cc(C)[nH+]cc2C#N)CCC[NH2+]1 ZINC000399022109 389787940 /nfs/dbraw/zinc/78/79/40/389787940.db2.gz IIKYITYHLOCSDK-AWEZNQCLSA-N 2 2 260.341 0.864 10 30 CCEELP C[NH+]=C(NCC[N@@H+]1CCOCC1(C)C)N[C@@H]1C[C@@H]1C ZINC000176384279 329175020 /nfs/dbraw/zinc/17/50/20/329175020.db2.gz ZEBQFLDTAPYRLX-NWDGAFQWSA-N 2 2 268.405 0.671 10 30 CCEELP C[NH+]=C(NCC[N@H+]1CCOCC1(C)C)N[C@@H]1C[C@@H]1C ZINC000176384279 329175021 /nfs/dbraw/zinc/17/50/21/329175021.db2.gz ZEBQFLDTAPYRLX-NWDGAFQWSA-N 2 2 268.405 0.671 10 30 CCEELP CC(C)(C)NC(=[NH2+])NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000262718195 330028607 /nfs/dbraw/zinc/02/86/07/330028607.db2.gz TZBMZDNUUHFIJT-LLVKDONJSA-N 2 2 254.378 0.552 10 30 CCEELP CC(C)(C)NC(=[NH2+])NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000262718195 330028609 /nfs/dbraw/zinc/02/86/09/330028609.db2.gz TZBMZDNUUHFIJT-LLVKDONJSA-N 2 2 254.378 0.552 10 30 CCEELP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000329407667 389162940 /nfs/dbraw/zinc/16/29/40/389162940.db2.gz DBAWKGGOIXIETP-GFCCVEGCSA-N 2 2 293.371 0.333 10 30 CCEELP COCC[N@H+]1CC[C@@H](NC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000329407667 389162941 /nfs/dbraw/zinc/16/29/41/389162941.db2.gz DBAWKGGOIXIETP-GFCCVEGCSA-N 2 2 293.371 0.333 10 30 CCEELP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000171735108 329079694 /nfs/dbraw/zinc/07/96/94/329079694.db2.gz QFFUEKFDGKMVQQ-CQSZACIVSA-N 2 2 296.415 0.267 10 30 CCEELP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000171735108 329079696 /nfs/dbraw/zinc/07/96/96/329079696.db2.gz QFFUEKFDGKMVQQ-CQSZACIVSA-N 2 2 296.415 0.267 10 30 CCEELP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N[C@@H]1C[C@H](OC)C1(C)C ZINC000261897841 631684708 /nfs/dbraw/zinc/68/47/08/631684708.db2.gz YHGZVQTVJKDZPG-UPJWGTAASA-N 2 2 298.431 0.296 10 30 CCEELP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N[C@@H]1C[C@H](OC)C1(C)C ZINC000261897841 631684711 /nfs/dbraw/zinc/68/47/11/631684711.db2.gz YHGZVQTVJKDZPG-UPJWGTAASA-N 2 2 298.431 0.296 10 30 CCEELP C=C(Cl)C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508420 174303633 /nfs/dbraw/zinc/30/36/33/174303633.db2.gz OAMSCNDQLLDQEF-NSHDSACASA-N 2 2 257.765 0.635 10 30 CCEELP C=C(Cl)C[N@H+]1CCC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508420 174303634 /nfs/dbraw/zinc/30/36/34/174303634.db2.gz OAMSCNDQLLDQEF-NSHDSACASA-N 2 2 257.765 0.635 10 30 CCEELP C=CCNc1[nH+]cnc(NCC[NH+]2CCOCC2)c1N ZINC000040709145 174380746 /nfs/dbraw/zinc/38/07/46/174380746.db2.gz KFOQVUPUGREYNU-UHFFFAOYSA-N 2 2 278.360 0.401 10 30 CCEELP C[NH+]=C(NC[C@@H]1CCCO1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262501467 330018104 /nfs/dbraw/zinc/01/81/04/330018104.db2.gz YNCMIVYLXLLPRO-KGLIPLIRSA-N 2 2 296.415 0.147 10 30 CCEELP C=C(C)CNC(=[NH2+])NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000262685996 330027112 /nfs/dbraw/zinc/02/71/12/330027112.db2.gz DKIIXAWBNLBMGC-GFCCVEGCSA-N 2 2 252.362 0.330 10 30 CCEELP C=C(C)CNC(=[NH2+])NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000262685996 330027113 /nfs/dbraw/zinc/02/71/13/330027113.db2.gz DKIIXAWBNLBMGC-GFCCVEGCSA-N 2 2 252.362 0.330 10 30 CCEELP [NH2+]=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)NC1CCCC1 ZINC000262706572 330028176 /nfs/dbraw/zinc/02/81/76/330028176.db2.gz MZRSBPWALRDLGY-ZDUSSCGKSA-N 2 2 266.389 0.697 10 30 CCEELP [NH2+]=C(NC[C@H]1C[N@H+](C2CC2)CCO1)NC1CCCC1 ZINC000262706572 330028178 /nfs/dbraw/zinc/02/81/78/330028178.db2.gz MZRSBPWALRDLGY-ZDUSSCGKSA-N 2 2 266.389 0.697 10 30 CCEELP C[NH+]=C(NC1CCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262814127 330033515 /nfs/dbraw/zinc/03/35/15/330033515.db2.gz WDTHXPQIEAGYKP-ZDUSSCGKSA-N 2 2 266.389 0.521 10 30 CCEELP CC1CC[NH+](C2(/C(N)=N/O)CC[NH+](C)CC2)CC1 ZINC000037408009 388846064 /nfs/dbraw/zinc/84/60/64/388846064.db2.gz GVLVJHZJACKWSJ-UHFFFAOYSA-N 2 2 254.378 0.929 10 30 CCEELP C[C@H]([NH2+]C[C@@H]([NH3+])CS)C(=O)NCc1ccccc1 ZINC000038311865 174139709 /nfs/dbraw/zinc/13/97/09/174139709.db2.gz MESXELDANGSNIM-CMPLNLGQSA-N 2 2 267.398 0.538 10 30 CCEELP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H]2CCC[C@H]2C#N)CC1 ZINC000408196057 260596732 /nfs/dbraw/zinc/59/67/32/260596732.db2.gz AEKDFTLYSSEPOF-IHRRRGAJSA-N 2 2 278.400 0.821 10 30 CCEELP C=CCNC(=O)C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174887872 329164363 /nfs/dbraw/zinc/16/43/63/329164363.db2.gz XVCCDYNGQQTTKR-HNNXBMFYSA-N 2 2 294.443 0.391 10 30 CCEELP C=CCNC(=O)C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174887872 329164365 /nfs/dbraw/zinc/16/43/65/329164365.db2.gz XVCCDYNGQQTTKR-HNNXBMFYSA-N 2 2 294.443 0.391 10 30 CCEELP C[NH+]=C(NCC[N@@H+]1CCOC(C)(C)C1)N[C@@H]1C[C@@H]1C ZINC000176384139 329175049 /nfs/dbraw/zinc/17/50/49/329175049.db2.gz FAFLAAIFUMFISL-NWDGAFQWSA-N 2 2 268.405 0.671 10 30 CCEELP C[NH+]=C(NCC[N@H+]1CCOC(C)(C)C1)N[C@@H]1C[C@@H]1C ZINC000176384139 329175051 /nfs/dbraw/zinc/17/50/51/329175051.db2.gz FAFLAAIFUMFISL-NWDGAFQWSA-N 2 2 268.405 0.671 10 30 CCEELP C[NH+]=C(NCC1CCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262429427 330010031 /nfs/dbraw/zinc/01/00/31/330010031.db2.gz DMRJWTLULKCUFI-AWEZNQCLSA-N 2 2 280.416 0.768 10 30 CCEELP [NH2+]=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)Nc1ccccn1 ZINC000262689267 330027342 /nfs/dbraw/zinc/02/73/42/330027342.db2.gz FOUMHWOFNJNESD-GFCCVEGCSA-N 2 2 275.356 0.671 10 30 CCEELP [NH2+]=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)Nc1ccccn1 ZINC000262689267 330027344 /nfs/dbraw/zinc/02/73/44/330027344.db2.gz FOUMHWOFNJNESD-GFCCVEGCSA-N 2 2 275.356 0.671 10 30 CCEELP CC[NH+]=C(NCC[NH+]1CCSCC1)N[C@@H]1C[C@H]1C ZINC000262756454 330029429 /nfs/dbraw/zinc/02/94/29/330029429.db2.gz BLRJXPIURPRXLW-VXGBXAGGSA-N 2 2 270.446 0.999 10 30 CCEELP Cn1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1C#N ZINC000300158884 354059973 /nfs/dbraw/zinc/05/99/73/354059973.db2.gz IFWOPEVSYIMICD-ZFWWWQNUSA-N 2 2 274.368 0.850 10 30 CCEELP Cc1cc(NC[C@@H](O)C[NH+]2CCOCC2)c(C#N)c(C)[nH+]1 ZINC000301776744 389057833 /nfs/dbraw/zinc/05/78/33/389057833.db2.gz LMARCAMFZKWRMW-CYBMUJFWSA-N 2 2 290.367 0.675 10 30 CCEELP C#CC[NH+]1CCC([NH2+][C@@H](CC(C)C)C(=O)NC)CC1 ZINC000037320793 173121311 /nfs/dbraw/zinc/12/13/11/173121311.db2.gz HLMJZJCNFZIJKW-AWEZNQCLSA-N 2 2 265.401 0.834 10 30 CCEELP C=CCNc1nc[nH+]c(NN2CC[NH+](C)CC2)c1N ZINC000040708917 174380101 /nfs/dbraw/zinc/38/01/01/174380101.db2.gz XDYTWFWZAYMFSJ-UHFFFAOYSA-N 2 2 263.349 0.231 10 30 CCEELP C=CCNC(=[NH+]CC)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262447600 330013509 /nfs/dbraw/zinc/01/35/09/330013509.db2.gz JBPFLCQOTQDZAX-ZDUSSCGKSA-N 2 2 266.389 0.544 10 30 CCEELP CN(C(=[NH2+])NC[C@H]1C[N@@H+](C2CC2)CCO1)C1CC1 ZINC000262721851 330028437 /nfs/dbraw/zinc/02/84/37/330028437.db2.gz WBCDQRLVTJSENG-LBPRGKRZSA-N 2 2 252.362 0.259 10 30 CCEELP CN(C(=[NH2+])NC[C@H]1C[N@H+](C2CC2)CCO1)C1CC1 ZINC000262721851 330028439 /nfs/dbraw/zinc/02/84/39/330028439.db2.gz WBCDQRLVTJSENG-LBPRGKRZSA-N 2 2 252.362 0.259 10 30 CCEELP C[N@@H+]1CCO[C@@H](CNC(=[NH2+])NC2CCCCC2)C1 ZINC000211484512 389131366 /nfs/dbraw/zinc/13/13/66/389131366.db2.gz AELBSVZXVKUYRF-LBPRGKRZSA-N 2 2 254.378 0.554 10 30 CCEELP C[N@H+]1CCO[C@@H](CNC(=[NH2+])NC2CCCCC2)C1 ZINC000211484512 389131371 /nfs/dbraw/zinc/13/13/71/389131371.db2.gz AELBSVZXVKUYRF-LBPRGKRZSA-N 2 2 254.378 0.554 10 30 CCEELP C=CCNC(=[NH+]CC)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262447599 330013506 /nfs/dbraw/zinc/01/35/06/330013506.db2.gz JBPFLCQOTQDZAX-CYBMUJFWSA-N 2 2 266.389 0.544 10 30 CCEELP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515901 389128719 /nfs/dbraw/zinc/12/87/19/389128719.db2.gz SFCWRPZWPPZHFJ-UONOGXRCSA-N 2 2 286.379 0.953 10 30 CCEELP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515901 389128722 /nfs/dbraw/zinc/12/87/22/389128722.db2.gz SFCWRPZWPPZHFJ-UONOGXRCSA-N 2 2 286.379 0.953 10 30 CCEELP N#CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043028 174048734 /nfs/dbraw/zinc/04/87/34/174048734.db2.gz YGNIZKPHVSXPCZ-LBPRGKRZSA-N 2 2 250.346 0.233 10 30 CCEELP N#CCCNC(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043028 174048736 /nfs/dbraw/zinc/04/87/36/174048736.db2.gz YGNIZKPHVSXPCZ-LBPRGKRZSA-N 2 2 250.346 0.233 10 30 CCEELP O=C(NC[C@H](O)C[NH+]1CCOCC1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330268893 295378471 /nfs/dbraw/zinc/37/84/71/295378471.db2.gz RLTSIBALVBSRRP-KBPBESRZSA-N 2 2 297.399 0.263 10 30 CCEELP O=C(NC[C@H](O)C[NH+]1CCOCC1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330268893 295378472 /nfs/dbraw/zinc/37/84/72/295378472.db2.gz RLTSIBALVBSRRP-KBPBESRZSA-N 2 2 297.399 0.263 10 30 CCEELP C[NH+]=C(NC1CCC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262814122 330033595 /nfs/dbraw/zinc/03/35/95/330033595.db2.gz WDTHXPQIEAGYKP-CYBMUJFWSA-N 2 2 266.389 0.521 10 30 CCEELP COCC[N@@H+]1CC[C@H](NC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000329407669 389162830 /nfs/dbraw/zinc/16/28/30/389162830.db2.gz DBAWKGGOIXIETP-LBPRGKRZSA-N 2 2 293.371 0.333 10 30 CCEELP COCC[N@H+]1CC[C@H](NC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000329407669 389162833 /nfs/dbraw/zinc/16/28/33/389162833.db2.gz DBAWKGGOIXIETP-LBPRGKRZSA-N 2 2 293.371 0.333 10 30 CCEELP CC[C@H]1C[N@H+](CCNC(=[NH2+])NC(C)(C)C)CCO1 ZINC000262814241 330033534 /nfs/dbraw/zinc/03/35/34/330033534.db2.gz VDBJCEDOMFDGRK-NSHDSACASA-N 2 2 256.394 0.800 10 30 CCEELP CC[C@H]1C[N@@H+](CCNC(=[NH2+])NC(C)(C)C)CCO1 ZINC000262814241 330033535 /nfs/dbraw/zinc/03/35/35/330033535.db2.gz VDBJCEDOMFDGRK-NSHDSACASA-N 2 2 256.394 0.800 10 30 CCEELP CC[C@@H]1C[N@H+](CCNC(=[NH2+])NC(C)(C)C)CCO1 ZINC000262814237 330033547 /nfs/dbraw/zinc/03/35/47/330033547.db2.gz VDBJCEDOMFDGRK-LLVKDONJSA-N 2 2 256.394 0.800 10 30 CCEELP CC[C@@H]1C[N@@H+](CCNC(=[NH2+])NC(C)(C)C)CCO1 ZINC000262814237 330033549 /nfs/dbraw/zinc/03/35/49/330033549.db2.gz VDBJCEDOMFDGRK-LLVKDONJSA-N 2 2 256.394 0.800 10 30 CCEELP Cn1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1C#N ZINC000232315517 352143265 /nfs/dbraw/zinc/14/32/65/352143265.db2.gz IFWOPEVSYIMICD-HIFRSBDPSA-N 2 2 274.368 0.850 10 30 CCEELP Cn1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1C#N ZINC000232315517 352143269 /nfs/dbraw/zinc/14/32/69/352143269.db2.gz IFWOPEVSYIMICD-HIFRSBDPSA-N 2 2 274.368 0.850 10 30 CCEELP C=CCN(CC=C)C(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193658069 389077152 /nfs/dbraw/zinc/07/71/52/389077152.db2.gz LBRFFEJGBIQPQH-OKILXGFUSA-N 2 2 263.385 0.680 10 30 CCEELP C=CCN(CC=C)C(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193658069 389077155 /nfs/dbraw/zinc/07/71/55/389077155.db2.gz LBRFFEJGBIQPQH-OKILXGFUSA-N 2 2 263.385 0.680 10 30 CCEELP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193658069 389077158 /nfs/dbraw/zinc/07/71/58/389077158.db2.gz LBRFFEJGBIQPQH-OKILXGFUSA-N 2 2 263.385 0.680 10 30 CCEELP C=CCN(CC=C)C(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193658069 389077160 /nfs/dbraw/zinc/07/71/60/389077160.db2.gz LBRFFEJGBIQPQH-OKILXGFUSA-N 2 2 263.385 0.680 10 30 CCEELP C[NH+]=C(N[C@@H]1C[C@H]1C)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261940153 329989732 /nfs/dbraw/zinc/98/97/32/329989732.db2.gz DKDZZDLRGLOMSP-CHWSQXEVSA-N 2 2 295.431 0.066 10 30 CCEELP CC[C@H](C)NC(=[NH2+])NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000262715210 330028540 /nfs/dbraw/zinc/02/85/40/330028540.db2.gz RMBZVKYGLJBATI-CMPLNLGQSA-N 2 2 254.378 0.552 10 30 CCEELP CC[C@H](C)NC(=[NH2+])NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000262715210 330028541 /nfs/dbraw/zinc/02/85/41/330028541.db2.gz RMBZVKYGLJBATI-CMPLNLGQSA-N 2 2 254.378 0.552 10 30 CCEELP C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000329118338 529788025 /nfs/dbraw/zinc/78/80/25/529788025.db2.gz UXQOADBQVSRXKL-MGPQQGTHSA-N 2 2 296.415 0.447 10 30 CCEELP C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000329118338 529788026 /nfs/dbraw/zinc/78/80/26/529788026.db2.gz UXQOADBQVSRXKL-MGPQQGTHSA-N 2 2 296.415 0.447 10 30 CCEELP C[NH+]1CCO[C@H](CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000329118338 529788027 /nfs/dbraw/zinc/78/80/27/529788027.db2.gz UXQOADBQVSRXKL-MGPQQGTHSA-N 2 2 296.415 0.447 10 30 CCEELP C[NH+]1CCO[C@H](CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000329118338 529788028 /nfs/dbraw/zinc/78/80/28/529788028.db2.gz UXQOADBQVSRXKL-MGPQQGTHSA-N 2 2 296.415 0.447 10 30 CCEELP Cc1cc(NC[C@@H]2C[NH+]3CCN2CC3)c(C#N)c(C)[nH+]1 ZINC000301749248 201174484 /nfs/dbraw/zinc/17/44/84/201174484.db2.gz AGGHCWZNJCIZGU-CYBMUJFWSA-N 2 2 271.368 0.982 10 30 CCEELP C[C@@H]1CCCN(C(=[NH2+])NC[C@@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000262708961 330028345 /nfs/dbraw/zinc/02/83/45/330028345.db2.gz OMRQIMCUTDSVAJ-TZMCWYRMSA-N 2 2 280.416 0.896 10 30 CCEELP C[C@@H]1CCCN(C(=[NH2+])NC[C@@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000262708961 330028347 /nfs/dbraw/zinc/02/83/47/330028347.db2.gz OMRQIMCUTDSVAJ-TZMCWYRMSA-N 2 2 280.416 0.896 10 30 CCEELP [NH2+]=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N1CCSCC1 ZINC000262724780 330028839 /nfs/dbraw/zinc/02/88/39/330028839.db2.gz YFMNKMRDMXGZPT-LBPRGKRZSA-N 2 2 284.429 0.213 10 30 CCEELP [NH2+]=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N1CCSCC1 ZINC000262724780 330028840 /nfs/dbraw/zinc/02/88/40/330028840.db2.gz YFMNKMRDMXGZPT-LBPRGKRZSA-N 2 2 284.429 0.213 10 30 CCEELP C[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)NC1CCCC1 ZINC000263249508 330050590 /nfs/dbraw/zinc/05/05/90/330050590.db2.gz OGZAWNBCIOUEJL-LBPRGKRZSA-N 2 2 254.378 0.425 10 30 CCEELP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)NC1CCCC1 ZINC000263249508 330050592 /nfs/dbraw/zinc/05/05/92/330050592.db2.gz OGZAWNBCIOUEJL-LBPRGKRZSA-N 2 2 254.378 0.425 10 30 CCEELP CC#CC[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000119180313 267306121 /nfs/dbraw/zinc/30/61/21/267306121.db2.gz XNLIAXJHLDMGJY-MRXNPFEDSA-N 2 2 279.428 0.737 10 30 CCEELP CC#CC[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000119180313 267306122 /nfs/dbraw/zinc/30/61/22/267306122.db2.gz XNLIAXJHLDMGJY-MRXNPFEDSA-N 2 2 279.428 0.737 10 30 CCEELP CC(C)CNC(=[NH2+])NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000262717280 330028551 /nfs/dbraw/zinc/02/85/51/330028551.db2.gz SSHBLOSGFDDEPT-LBPRGKRZSA-N 2 2 254.378 0.410 10 30 CCEELP CC(C)CNC(=[NH2+])NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000262717280 330028553 /nfs/dbraw/zinc/02/85/53/330028553.db2.gz SSHBLOSGFDDEPT-LBPRGKRZSA-N 2 2 254.378 0.410 10 30 CCEELP C#CC[NH+]1CCN(C(=O)CC[C@H]2CCCC[NH2+]2)CC1 ZINC000050947669 518271686 /nfs/dbraw/zinc/27/16/86/518271686.db2.gz IEZASKXRSXGVPV-CQSZACIVSA-N 2 2 263.385 0.686 10 30 CCEELP O=C(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)NO ZINC000090741770 180035503 /nfs/dbraw/zinc/03/55/03/180035503.db2.gz YYCASFIVIRBPHM-UHFFFAOYSA-N 2 2 263.341 0.746 10 30 CCEELP Cc1cc(NC[C@H]2C[NH+]3CCN2CC3)c(C#N)c(C)[nH+]1 ZINC000301749249 201173830 /nfs/dbraw/zinc/17/38/30/201173830.db2.gz AGGHCWZNJCIZGU-ZDUSSCGKSA-N 2 2 271.368 0.982 10 30 CCEELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)NCC#N)C2)[nH+]1 ZINC000108858384 262065160 /nfs/dbraw/zinc/06/51/60/262065160.db2.gz RHJCNJPEBKESAU-CYBMUJFWSA-N 2 2 287.367 0.764 10 30 CCEELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)[nH+]1 ZINC000108858384 262065162 /nfs/dbraw/zinc/06/51/62/262065162.db2.gz RHJCNJPEBKESAU-CYBMUJFWSA-N 2 2 287.367 0.764 10 30 CCEELP CC[C@H]1C[N@H+](CCNC(=[NH2+])N2CCO[C@@H](C)C2)CCO1 ZINC000262450128 330013786 /nfs/dbraw/zinc/01/37/86/330013786.db2.gz JQYAPGUZAFGTBT-STQMWFEESA-N 2 2 284.404 0.133 10 30 CCEELP CC[C@H]1C[N@@H+](CCNC(=[NH2+])N2CCO[C@@H](C)C2)CCO1 ZINC000262450128 330013787 /nfs/dbraw/zinc/01/37/87/330013787.db2.gz JQYAPGUZAFGTBT-STQMWFEESA-N 2 2 284.404 0.133 10 30 CCEELP C[NH+]=C(NC1CC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262488714 330017057 /nfs/dbraw/zinc/01/70/57/330017057.db2.gz UCJCAIDKQPNKMD-LBPRGKRZSA-N 2 2 252.362 0.131 10 30 CCEELP CC[C@@H](C)NC(=[NH2+])NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000262715213 330028518 /nfs/dbraw/zinc/02/85/18/330028518.db2.gz RMBZVKYGLJBATI-ZYHUDNBSSA-N 2 2 254.378 0.552 10 30 CCEELP CC[C@@H](C)NC(=[NH2+])NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000262715213 330028519 /nfs/dbraw/zinc/02/85/19/330028519.db2.gz RMBZVKYGLJBATI-ZYHUDNBSSA-N 2 2 254.378 0.552 10 30 CCEELP CC[NH+]=C(NC1CCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262817378 330033713 /nfs/dbraw/zinc/03/37/13/330033713.db2.gz WZTUMBVYMNLYQT-AWEZNQCLSA-N 2 2 280.416 0.911 10 30 CCEELP C[NH+](C)CCN1CC[NH+]([C@H]2CCC[C@@H]2C#N)CC1 ZINC000061644263 521767772 /nfs/dbraw/zinc/76/77/72/521767772.db2.gz HRJJTFVSJSALQT-KGLIPLIRSA-N 2 2 250.390 0.858 10 30 CCEELP C[NH+]=C(NCc1ccoc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000175527874 329169382 /nfs/dbraw/zinc/16/93/82/329169382.db2.gz YKOFLMJGXHUASP-CQSZACIVSA-N 2 2 292.383 0.762 10 30 CCEELP C[NH+]=C(NCc1ccco1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262480166 330016600 /nfs/dbraw/zinc/01/66/00/330016600.db2.gz RHOXYYCPUOGVTA-CYBMUJFWSA-N 2 2 292.383 0.762 10 30 CCEELP N#CCCNC(=O)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043027 174048783 /nfs/dbraw/zinc/04/87/83/174048783.db2.gz YGNIZKPHVSXPCZ-GFCCVEGCSA-N 2 2 250.346 0.233 10 30 CCEELP N#CCCNC(=O)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043027 174048790 /nfs/dbraw/zinc/04/87/90/174048790.db2.gz YGNIZKPHVSXPCZ-GFCCVEGCSA-N 2 2 250.346 0.233 10 30 CCEELP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc(C#N)ccc1F ZINC000038031489 174025660 /nfs/dbraw/zinc/02/56/60/174025660.db2.gz MVDWDDFPHBDTKN-UHFFFAOYSA-N 2 2 290.342 0.561 10 30 CCEELP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc(C#N)ccc1F ZINC000038031489 174025661 /nfs/dbraw/zinc/02/56/61/174025661.db2.gz MVDWDDFPHBDTKN-UHFFFAOYSA-N 2 2 290.342 0.561 10 30 CCEELP CC[C@@H](C)NC(=[NH2+])NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000262715212 330028613 /nfs/dbraw/zinc/02/86/13/330028613.db2.gz RMBZVKYGLJBATI-PWSUYJOCSA-N 2 2 254.378 0.552 10 30 CCEELP CC[C@@H](C)NC(=[NH2+])NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000262715212 330028615 /nfs/dbraw/zinc/02/86/15/330028615.db2.gz RMBZVKYGLJBATI-PWSUYJOCSA-N 2 2 254.378 0.552 10 30 CCEELP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000261897840 631684242 /nfs/dbraw/zinc/68/42/42/631684242.db2.gz YHGZVQTVJKDZPG-JHJVBQTASA-N 2 2 298.431 0.296 10 30 CCEELP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000261897840 631684250 /nfs/dbraw/zinc/68/42/50/631684250.db2.gz YHGZVQTVJKDZPG-JHJVBQTASA-N 2 2 298.431 0.296 10 30 CCEELP Cn1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1C#N ZINC000300158882 354060160 /nfs/dbraw/zinc/06/01/60/354060160.db2.gz IFWOPEVSYIMICD-DZGCQCFKSA-N 2 2 274.368 0.850 10 30 CCEELP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193629858 389075677 /nfs/dbraw/zinc/07/56/77/389075677.db2.gz VEVVVLWITLTVPD-OKILXGFUSA-N 2 2 265.401 0.904 10 30 CCEELP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193629858 389075679 /nfs/dbraw/zinc/07/56/79/389075679.db2.gz VEVVVLWITLTVPD-OKILXGFUSA-N 2 2 265.401 0.904 10 30 CCEELP C=C(C)CN(CC)C(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193629858 389075682 /nfs/dbraw/zinc/07/56/82/389075682.db2.gz VEVVVLWITLTVPD-OKILXGFUSA-N 2 2 265.401 0.904 10 30 CCEELP C=C(C)CN(CC)C(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193629858 389075684 /nfs/dbraw/zinc/07/56/84/389075684.db2.gz VEVVVLWITLTVPD-OKILXGFUSA-N 2 2 265.401 0.904 10 30 CCEELP COC[C@]1(CNc2cc(C)[nH+]cc2C#N)CCC[NH2+]1 ZINC000399022111 389787500 /nfs/dbraw/zinc/78/75/00/389787500.db2.gz IIKYITYHLOCSDK-CQSZACIVSA-N 2 2 260.341 0.864 10 30 CCEELP CC[C@@H]1C[N@H+](CCNC(=[NH2+])N2CCO[C@H](C)C2)CCO1 ZINC000262450125 330013803 /nfs/dbraw/zinc/01/38/03/330013803.db2.gz JQYAPGUZAFGTBT-CHWSQXEVSA-N 2 2 284.404 0.133 10 30 CCEELP CC[C@@H]1C[N@@H+](CCNC(=[NH2+])N2CCO[C@H](C)C2)CCO1 ZINC000262450125 330013804 /nfs/dbraw/zinc/01/38/04/330013804.db2.gz JQYAPGUZAFGTBT-CHWSQXEVSA-N 2 2 284.404 0.133 10 30 CCEELP C[NH+]=C(NCc1ccsc1)NC[C@@H]1C[N@H+](C)CCO1 ZINC000262706179 330028190 /nfs/dbraw/zinc/02/81/90/330028190.db2.gz JQRSZTZXVZEHOR-GFCCVEGCSA-N 2 2 282.413 0.744 10 30 CCEELP C[NH+]=C(NCc1ccsc1)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000262706179 330028191 /nfs/dbraw/zinc/02/81/91/330028191.db2.gz JQRSZTZXVZEHOR-GFCCVEGCSA-N 2 2 282.413 0.744 10 30 CCEELP C[C@H]1CCCN(C(=[NH2+])NC[C@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000262708934 330028202 /nfs/dbraw/zinc/02/82/02/330028202.db2.gz OMRQIMCUTDSVAJ-JSGCOSHPSA-N 2 2 280.416 0.896 10 30 CCEELP C[C@H]1CCCN(C(=[NH2+])NC[C@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000262708934 330028204 /nfs/dbraw/zinc/02/82/04/330028204.db2.gz OMRQIMCUTDSVAJ-JSGCOSHPSA-N 2 2 280.416 0.896 10 30 CCEELP C=CC[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105845883 389088459 /nfs/dbraw/zinc/08/84/59/389088459.db2.gz NVTMLNRIRBNYQC-OAHLLOKOSA-N 2 2 267.417 0.899 10 30 CCEELP C#CC[NH+]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000037822780 173776627 /nfs/dbraw/zinc/77/66/27/173776627.db2.gz SYYSEUBJPDEEEW-AWEZNQCLSA-N 2 2 257.337 0.464 10 30 CCEELP C[NH+]=C(NCc1ccco1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262480168 330016697 /nfs/dbraw/zinc/01/66/97/330016697.db2.gz RHOXYYCPUOGVTA-ZDUSSCGKSA-N 2 2 292.383 0.762 10 30 CCEELP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)NC[C@@]1(C)CCCO1 ZINC000261806421 631622624 /nfs/dbraw/zinc/62/26/24/631622624.db2.gz SANJIRVQGNKMFE-UKRRQHHQSA-N 2 2 298.431 0.441 10 30 CCEELP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)NC[C@@]1(C)CCCO1 ZINC000261806421 631622628 /nfs/dbraw/zinc/62/26/28/631622628.db2.gz SANJIRVQGNKMFE-UKRRQHHQSA-N 2 2 298.431 0.441 10 30 CCEELP C[NH+](C)C[C@@H]1CN(c2cc(N)[nH+]cc2C#N)CCO1 ZINC000584633073 359184264 /nfs/dbraw/zinc/18/42/64/359184264.db2.gz SOARRSCLYCDILA-LLVKDONJSA-N 2 2 261.329 0.133 10 30 CCEELP CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000328649514 389130396 /nfs/dbraw/zinc/13/03/96/389130396.db2.gz ASZSJLBKJOODJE-KGLIPLIRSA-N 2 2 298.431 0.553 10 30 CCEELP CC[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000328649514 389130399 /nfs/dbraw/zinc/13/03/99/389130399.db2.gz ASZSJLBKJOODJE-KGLIPLIRSA-N 2 2 298.431 0.553 10 30 CCEELP CC[NH+]1CCC[C@H](CNC(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000328649514 389130400 /nfs/dbraw/zinc/13/04/00/389130400.db2.gz ASZSJLBKJOODJE-KGLIPLIRSA-N 2 2 298.431 0.553 10 30 CCEELP CC[NH+]1CCC[C@H](CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000328649514 389130402 /nfs/dbraw/zinc/13/04/02/389130402.db2.gz ASZSJLBKJOODJE-KGLIPLIRSA-N 2 2 298.431 0.553 10 30 CCEELP C#CC[NH+]1CCC([NH2+]C2CCN(C(C)=O)CC2)CC1 ZINC000037317991 173118257 /nfs/dbraw/zinc/11/82/57/173118257.db2.gz LTOWTNBCARSKFW-UHFFFAOYSA-N 2 2 263.385 0.685 10 30 CCEELP CC1CCN(C(=[NH2+])NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000262724784 330028772 /nfs/dbraw/zinc/02/87/72/330028772.db2.gz YGOBAPWZYMRXOC-CQSZACIVSA-N 2 2 280.416 0.896 10 30 CCEELP CC1CCN(C(=[NH2+])NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000262724784 330028774 /nfs/dbraw/zinc/02/87/74/330028774.db2.gz YGOBAPWZYMRXOC-CQSZACIVSA-N 2 2 280.416 0.896 10 30 CCEELP C[N@@H+]1CCN(c2ccc(C#N)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000226621685 352031014 /nfs/dbraw/zinc/03/10/14/352031014.db2.gz DZRYDTYLIBXVGX-NSHDSACASA-N 2 2 275.312 0.546 10 30 CCEELP C[N@H+]1CCN(c2ccc(C#N)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000226621685 352031017 /nfs/dbraw/zinc/03/10/17/352031017.db2.gz DZRYDTYLIBXVGX-NSHDSACASA-N 2 2 275.312 0.546 10 30 CCEELP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000071147414 176043102 /nfs/dbraw/zinc/04/31/02/176043102.db2.gz OZIQTRFTZIQMHI-RISCZKNCSA-N 2 2 264.373 0.336 10 30 CCEELP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000071147414 176043103 /nfs/dbraw/zinc/04/31/03/176043103.db2.gz OZIQTRFTZIQMHI-RISCZKNCSA-N 2 2 264.373 0.336 10 30 CCEELP C[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)NCC(C)(C)SC ZINC000262557393 330021434 /nfs/dbraw/zinc/02/14/34/330021434.db2.gz VHFXTKBNSAVXAF-NSHDSACASA-N 2 2 288.461 0.624 10 30 CCEELP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)NCC(C)(C)SC ZINC000262557393 330021435 /nfs/dbraw/zinc/02/14/35/330021435.db2.gz VHFXTKBNSAVXAF-NSHDSACASA-N 2 2 288.461 0.624 10 30 CCEELP Cc1cc(NCCCN2CC[NH2+]CC2)c(C#N)c[nH+]1 ZINC000399059990 267299698 /nfs/dbraw/zinc/29/96/98/267299698.db2.gz YOBADAPRRGYLRR-UHFFFAOYSA-N 2 2 259.357 0.391 10 30 CCEELP C=CCNC(=[NH+]C)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262306059 330005314 /nfs/dbraw/zinc/00/53/14/330005314.db2.gz APCBSFLIUIQCOI-GFCCVEGCSA-N 2 2 252.362 0.154 10 30 CCEELP C[NH+]=C(NCC[N@@H+]1CCOCC1(C)C)N[C@@H]1C[C@H]1C ZINC000176384267 329175093 /nfs/dbraw/zinc/17/50/93/329175093.db2.gz ZEBQFLDTAPYRLX-VXGBXAGGSA-N 2 2 268.405 0.671 10 30 CCEELP C[NH+]=C(NCC[N@H+]1CCOCC1(C)C)N[C@@H]1C[C@H]1C ZINC000176384267 329175094 /nfs/dbraw/zinc/17/50/94/329175094.db2.gz ZEBQFLDTAPYRLX-VXGBXAGGSA-N 2 2 268.405 0.671 10 30 CCEELP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N(C)C[C@H]1CCOC1 ZINC000261635469 631398119 /nfs/dbraw/zinc/39/81/19/631398119.db2.gz KBNQCYKTCGTANX-ZIAGYGMSSA-N 2 2 298.431 0.251 10 30 CCEELP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N(C)C[C@H]1CCOC1 ZINC000261635469 631398127 /nfs/dbraw/zinc/39/81/27/631398127.db2.gz KBNQCYKTCGTANX-ZIAGYGMSSA-N 2 2 298.431 0.251 10 30 CCEELP C[N@@H+]1CCN(c2ccc(C#N)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000124469361 350099647 /nfs/dbraw/zinc/09/96/47/350099647.db2.gz DZRYDTYLIBXVGX-LLVKDONJSA-N 2 2 275.312 0.546 10 30 CCEELP C[N@H+]1CCN(c2ccc(C#N)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000124469361 350099648 /nfs/dbraw/zinc/09/96/48/350099648.db2.gz DZRYDTYLIBXVGX-LLVKDONJSA-N 2 2 275.312 0.546 10 30 CCEELP N#CCN(CC#N)C(=O)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038042885 303155157 /nfs/dbraw/zinc/15/51/57/303155157.db2.gz UANGHBRDCLTZFQ-CYBMUJFWSA-N 2 2 275.356 0.079 10 30 CCEELP Cn1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1C#N ZINC000232315516 352143546 /nfs/dbraw/zinc/14/35/46/352143546.db2.gz IFWOPEVSYIMICD-UKRRQHHQSA-N 2 2 274.368 0.850 10 30 CCEELP Cn1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1C#N ZINC000232315516 352143548 /nfs/dbraw/zinc/14/35/48/352143548.db2.gz IFWOPEVSYIMICD-UKRRQHHQSA-N 2 2 274.368 0.850 10 30 CCEELP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193639562 389076319 /nfs/dbraw/zinc/07/63/19/389076319.db2.gz QYFISAKJKVRZQH-MELADBBJSA-N 2 2 278.400 0.488 10 30 CCEELP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193639562 389076321 /nfs/dbraw/zinc/07/63/21/389076321.db2.gz QYFISAKJKVRZQH-MELADBBJSA-N 2 2 278.400 0.488 10 30 CCEELP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193639562 389076325 /nfs/dbraw/zinc/07/63/25/389076325.db2.gz QYFISAKJKVRZQH-MELADBBJSA-N 2 2 278.400 0.488 10 30 CCEELP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193639562 389076328 /nfs/dbraw/zinc/07/63/28/389076328.db2.gz QYFISAKJKVRZQH-MELADBBJSA-N 2 2 278.400 0.488 10 30 CCEELP N#CCN(CC#N)C(=O)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038042885 303155155 /nfs/dbraw/zinc/15/51/55/303155155.db2.gz UANGHBRDCLTZFQ-CYBMUJFWSA-N 2 2 275.356 0.079 10 30 CCEELP CC(C)(C)NC(=[NH2+])NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000262718197 330028512 /nfs/dbraw/zinc/02/85/12/330028512.db2.gz TZBMZDNUUHFIJT-NSHDSACASA-N 2 2 254.378 0.552 10 30 CCEELP CC(C)(C)NC(=[NH2+])NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000262718197 330028513 /nfs/dbraw/zinc/02/85/13/330028513.db2.gz TZBMZDNUUHFIJT-NSHDSACASA-N 2 2 254.378 0.552 10 30 CCEELP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N1CC[C@]2(CCOC2)C1 ZINC000158035629 636994171 /nfs/dbraw/zinc/99/41/71/636994171.db2.gz MKACIOHSPQCHIX-HIFRSBDPSA-N 2 2 296.415 0.005 10 30 CCEELP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N1CC[C@]2(CCOC2)C1 ZINC000158035629 636994176 /nfs/dbraw/zinc/99/41/76/636994176.db2.gz MKACIOHSPQCHIX-HIFRSBDPSA-N 2 2 296.415 0.005 10 30 CCEELP C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)[C@H](C[NH3+])C1 ZINC000127871914 350179929 /nfs/dbraw/zinc/17/99/29/350179929.db2.gz BWQMVRNDALEUHD-GFCCVEGCSA-N 2 2 275.312 0.546 10 30 CCEELP C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)[C@H](C[NH3+])C1 ZINC000127871914 350179932 /nfs/dbraw/zinc/17/99/32/350179932.db2.gz BWQMVRNDALEUHD-GFCCVEGCSA-N 2 2 275.312 0.546 10 30 CCEELP C[NH+]=C(NCC1CC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262493607 330017279 /nfs/dbraw/zinc/01/72/79/330017279.db2.gz VQNHQZDCIKGABF-ZDUSSCGKSA-N 2 2 266.389 0.378 10 30 CCEELP C[C@H](C#N)CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043347 289237180 /nfs/dbraw/zinc/23/71/80/289237180.db2.gz DFYMLMPBXCXTPK-TZMCWYRMSA-N 2 2 278.400 0.821 10 30 CCEELP C[C@H](C#N)CN(C)C(=O)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043347 289237184 /nfs/dbraw/zinc/23/71/84/289237184.db2.gz DFYMLMPBXCXTPK-TZMCWYRMSA-N 2 2 278.400 0.821 10 30 CCEELP CC/[NH+]=C(\N(C)C)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262438807 330012861 /nfs/dbraw/zinc/01/28/61/330012861.db2.gz HASYOOBINNOWPE-FWJVZWRSSA-N 2 2 254.378 0.330 10 30 CCEELP C[C@H]1CN(C(=[NH2+])NCc2cn3c([nH+]2)CCCC3)CCO1 ZINC000262454184 330014280 /nfs/dbraw/zinc/01/42/80/330014280.db2.gz KPJMZKNORMFGEI-NSHDSACASA-N 2 2 277.372 0.755 10 30 CCEELP C[NH+]=C(NC[C@H]1CCCS1)NC[C@@H]1C[N@H+](C)CCO1 ZINC000157372610 636938627 /nfs/dbraw/zinc/93/86/27/636938627.db2.gz ZPBCFGQMZHKWSO-VXGBXAGGSA-N 2 2 286.445 0.378 10 30 CCEELP C[NH+]=C(NC[C@H]1CCCS1)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000157372610 636938638 /nfs/dbraw/zinc/93/86/38/636938638.db2.gz ZPBCFGQMZHKWSO-VXGBXAGGSA-N 2 2 286.445 0.378 10 30 CCEELP C=C(O)NC(NCCSCc1[nH+]c[nH]c1C)=[NH+]C ZINC000096341724 349619431 /nfs/dbraw/zinc/61/94/31/349619431.db2.gz DZNBKXXMUCFXQH-UHFFFAOYSA-N 2 2 269.374 0.663 10 30 CCEELP C[NH+]=C(NCc1ccoc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000175527855 329169351 /nfs/dbraw/zinc/16/93/51/329169351.db2.gz YKOFLMJGXHUASP-AWEZNQCLSA-N 2 2 292.383 0.762 10 30 CCEELP Cc1cc(N2CC[NH+](CCO)CC2)c(C#N)c(C)[nH+]1 ZINC000212665411 351930934 /nfs/dbraw/zinc/93/09/34/351930934.db2.gz XTOCQQYXBIUYBP-UHFFFAOYSA-N 2 2 260.341 0.684 10 30 CCEELP C=CC[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105845887 389088728 /nfs/dbraw/zinc/08/87/28/389088728.db2.gz NVTMLNRIRBNYQC-HNNXBMFYSA-N 2 2 267.417 0.899 10 30 CCEELP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)NCC#N)CC1 ZINC000108867753 389098418 /nfs/dbraw/zinc/09/84/18/389098418.db2.gz FRDVPRYRDNMKLY-UHFFFAOYSA-N 2 2 275.356 0.314 10 30 CCEELP CC[C@@H]1C[N@H+](CCNC(=[NH2+])N2CCO[C@@H](C)C2)CCO1 ZINC000262450127 330013723 /nfs/dbraw/zinc/01/37/23/330013723.db2.gz JQYAPGUZAFGTBT-QWHCGFSZSA-N 2 2 284.404 0.133 10 30 CCEELP CC[C@@H]1C[N@@H+](CCNC(=[NH2+])N2CCO[C@@H](C)C2)CCO1 ZINC000262450127 330013724 /nfs/dbraw/zinc/01/37/24/330013724.db2.gz JQYAPGUZAFGTBT-QWHCGFSZSA-N 2 2 284.404 0.133 10 30 CCEELP C[NH+]=C(NCC1CC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262493605 330017433 /nfs/dbraw/zinc/01/74/33/330017433.db2.gz VQNHQZDCIKGABF-CYBMUJFWSA-N 2 2 266.389 0.378 10 30 CCEELP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)NCC(C)(C)SC ZINC000262557392 330021414 /nfs/dbraw/zinc/02/14/14/330021414.db2.gz VHFXTKBNSAVXAF-LLVKDONJSA-N 2 2 288.461 0.624 10 30 CCEELP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)NCC(C)(C)SC ZINC000262557392 330021415 /nfs/dbraw/zinc/02/14/15/330021415.db2.gz VHFXTKBNSAVXAF-LLVKDONJSA-N 2 2 288.461 0.624 10 30 CCEELP Cc1cc(NC[C@H](O)C[NH+]2CCOCC2)c(C#N)c(C)[nH+]1 ZINC000301776745 519104237 /nfs/dbraw/zinc/10/42/37/519104237.db2.gz LMARCAMFZKWRMW-ZDUSSCGKSA-N 2 2 290.367 0.675 10 30 CCEELP C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262443693 330013281 /nfs/dbraw/zinc/01/32/81/330013281.db2.gz IEVRZFLIFDHQEA-RWMBFGLXSA-N 2 2 266.389 0.377 10 30 CCEELP C[NH+]=C(N[C@@H]1CC1(C)C)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262495022 330017683 /nfs/dbraw/zinc/01/76/83/330017683.db2.gz WEANYSHDEAIZMK-QWHCGFSZSA-N 2 2 280.416 0.767 10 30 CCEELP C[NH+]=C(NCC1CCC1)NC[C@H]1C[N@H+](C)CCO1 ZINC000262906747 330036805 /nfs/dbraw/zinc/03/68/05/330036805.db2.gz JBTGXXWPWWMLIC-LBPRGKRZSA-N 2 2 254.378 0.282 10 30 CCEELP C[NH+]=C(NCC1CCC1)NC[C@H]1C[N@@H+](C)CCO1 ZINC000262906747 330036806 /nfs/dbraw/zinc/03/68/06/330036806.db2.gz JBTGXXWPWWMLIC-LBPRGKRZSA-N 2 2 254.378 0.282 10 30 CCEELP C#CC[N@@H+](C)CCC[NH2+]Cc1c(C)nn(C)c1OC ZINC000328313794 623877304 /nfs/dbraw/zinc/87/73/04/623877304.db2.gz XJHCXFMMTMTBHT-UHFFFAOYSA-N 2 2 264.373 0.782 10 30 CCEELP C#CC[N@H+](C)CCC[NH2+]Cc1c(C)nn(C)c1OC ZINC000328313794 623877305 /nfs/dbraw/zinc/87/73/05/623877305.db2.gz XJHCXFMMTMTBHT-UHFFFAOYSA-N 2 2 264.373 0.782 10 30 CCEELP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000328628567 354240850 /nfs/dbraw/zinc/24/08/50/354240850.db2.gz NWQJJPRKQCJUBJ-RYUDHWBXSA-N 2 2 278.356 0.733 10 30 CCEELP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000328628567 354240856 /nfs/dbraw/zinc/24/08/56/354240856.db2.gz NWQJJPRKQCJUBJ-RYUDHWBXSA-N 2 2 278.356 0.733 10 30 CCEELP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H]2CCC[C@@H]2C#N)CC1 ZINC000408196059 389833559 /nfs/dbraw/zinc/83/35/59/389833559.db2.gz AEKDFTLYSSEPOF-MJBXVCDLSA-N 2 2 278.400 0.821 10 30 CCEELP C=CC[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000171735117 329079889 /nfs/dbraw/zinc/07/98/89/329079889.db2.gz QFFUEKFDGKMVQQ-AWEZNQCLSA-N 2 2 296.415 0.267 10 30 CCEELP C=CC[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000171735117 329079890 /nfs/dbraw/zinc/07/98/90/329079890.db2.gz QFFUEKFDGKMVQQ-AWEZNQCLSA-N 2 2 296.415 0.267 10 30 CCEELP C=CCNC(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105875630 329535525 /nfs/dbraw/zinc/53/55/25/329535525.db2.gz YGVMQRGUNQCOMA-UHFFFAOYSA-N 2 2 276.384 0.977 10 30 CCEELP C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262443696 330013380 /nfs/dbraw/zinc/01/33/80/330013380.db2.gz IEVRZFLIFDHQEA-YNEHKIRRSA-N 2 2 266.389 0.377 10 30 CCEELP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N[C@@H]1C[C@H]1C ZINC000262687492 330027069 /nfs/dbraw/zinc/02/70/69/330027069.db2.gz BAPLWKWIRQWAJP-IJLUTSLNSA-N 2 2 254.378 0.281 10 30 CCEELP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N[C@@H]1C[C@H]1C ZINC000262687492 330027071 /nfs/dbraw/zinc/02/70/71/330027071.db2.gz BAPLWKWIRQWAJP-IJLUTSLNSA-N 2 2 254.378 0.281 10 30 CCEELP C[NH+](C)CCN1CC[NH+]([C@@H]2CCC[C@H]2C#N)CC1 ZINC000061644265 521767408 /nfs/dbraw/zinc/76/74/08/521767408.db2.gz HRJJTFVSJSALQT-UONOGXRCSA-N 2 2 250.390 0.858 10 30 CCEELP CN(c1cc[nH+]c(/C(N)=N/O)c1)C1CC[NH+](C)CC1 ZINC000061813597 523658761 /nfs/dbraw/zinc/65/87/61/523658761.db2.gz ZSJAQNMXMDQFCU-UHFFFAOYSA-N 2 2 263.345 0.707 10 30 CCEELP COc1cccc([C@@H](CN/C(N)=[NH+]/O)[NH+](C)C)c1 ZINC000052833450 524094618 /nfs/dbraw/zinc/09/46/18/524094618.db2.gz KDQFYJFXRHOPGE-LLVKDONJSA-N 2 2 252.318 0.591 10 30 CCEELP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N(C)C[C@@H]1CCOC1 ZINC000155535318 614420524 /nfs/dbraw/zinc/42/05/24/614420524.db2.gz KBNQCYKTCGTANX-UONOGXRCSA-N 2 2 298.431 0.251 10 30 CCEELP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N(C)C[C@@H]1CCOC1 ZINC000155535318 614420526 /nfs/dbraw/zinc/42/05/26/614420526.db2.gz KBNQCYKTCGTANX-UONOGXRCSA-N 2 2 298.431 0.251 10 30 CCEELP C[NH+](C)C[C@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)CCO1 ZINC000128229229 350188523 /nfs/dbraw/zinc/18/85/23/350188523.db2.gz HWLGJVOAGHKOLW-HNNXBMFYSA-N 2 2 299.378 0.968 10 30 CCEELP Cc1cc(N2CCN([C@@H]3CC[NH2+]C3)CC2)c(C#N)c[nH+]1 ZINC000333323418 389409344 /nfs/dbraw/zinc/40/93/44/389409344.db2.gz UYCXQAGJXZYOJA-CQSZACIVSA-N 2 2 271.368 0.746 10 30 CCEELP N#CCNC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000108858360 262064555 /nfs/dbraw/zinc/06/45/55/262064555.db2.gz JHRGKTFYRXGONR-LBPRGKRZSA-N 2 2 273.340 0.455 10 30 CCEELP N#CCNC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000108858360 262064557 /nfs/dbraw/zinc/06/45/57/262064557.db2.gz JHRGKTFYRXGONR-LBPRGKRZSA-N 2 2 273.340 0.455 10 30 CCEELP C=CCNC(=[NH+]C)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262306061 330005239 /nfs/dbraw/zinc/00/52/39/330005239.db2.gz APCBSFLIUIQCOI-LBPRGKRZSA-N 2 2 252.362 0.154 10 30 CCEELP C[NH+]=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)NC1CC1 ZINC000262471758 330015644 /nfs/dbraw/zinc/01/56/44/330015644.db2.gz ACUZVKCXWZCNFV-GFCCVEGCSA-N 2 2 252.362 0.177 10 30 CCEELP C[NH+]=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)NC1CC1 ZINC000262471758 330015646 /nfs/dbraw/zinc/01/56/46/330015646.db2.gz ACUZVKCXWZCNFV-GFCCVEGCSA-N 2 2 252.362 0.177 10 30 CCEELP C#CC[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105845621 389088252 /nfs/dbraw/zinc/08/82/52/389088252.db2.gz LVAGFLTWYIWGIO-OAHLLOKOSA-N 2 2 265.401 0.346 10 30 CCEELP C#CC[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105845621 389088254 /nfs/dbraw/zinc/08/82/54/389088254.db2.gz LVAGFLTWYIWGIO-OAHLLOKOSA-N 2 2 265.401 0.346 10 30 CCEELP CC#CC[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000119180409 267306057 /nfs/dbraw/zinc/30/60/57/267306057.db2.gz XNLIAXJHLDMGJY-INIZCTEOSA-N 2 2 279.428 0.737 10 30 CCEELP CC#CC[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000119180409 267306060 /nfs/dbraw/zinc/30/60/60/267306060.db2.gz XNLIAXJHLDMGJY-INIZCTEOSA-N 2 2 279.428 0.737 10 30 CCEELP C#CC[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105845626 389088670 /nfs/dbraw/zinc/08/86/70/389088670.db2.gz LVAGFLTWYIWGIO-HNNXBMFYSA-N 2 2 265.401 0.346 10 30 CCEELP C#CC[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105845626 389088675 /nfs/dbraw/zinc/08/86/75/389088675.db2.gz LVAGFLTWYIWGIO-HNNXBMFYSA-N 2 2 265.401 0.346 10 30 CCEELP C[NH+]=C(N[C@@H]1CC1(C)C)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262495018 330017641 /nfs/dbraw/zinc/01/76/41/330017641.db2.gz WEANYSHDEAIZMK-CHWSQXEVSA-N 2 2 280.416 0.767 10 30 CCEELP CN1CCC[NH+]=C1NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000263145211 330045600 /nfs/dbraw/zinc/04/56/00/330045600.db2.gz ORNNCNZJDGNHLF-GFCCVEGCSA-N 2 2 252.362 0.131 10 30 CCEELP CN1CCC[NH+]=C1NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000263145211 330045602 /nfs/dbraw/zinc/04/56/02/330045602.db2.gz ORNNCNZJDGNHLF-GFCCVEGCSA-N 2 2 252.362 0.131 10 30 CCEELP C[NH+](C)CCN1CC[NH+]([C@@H]2CCC[C@@H]2C#N)CC1 ZINC000061644262 521768936 /nfs/dbraw/zinc/76/89/36/521768936.db2.gz HRJJTFVSJSALQT-ZIAGYGMSSA-N 2 2 250.390 0.858 10 30 CCEELP CC[NH+]=C(NCC[NH+]1CCSCC1)N[C@@H]1C[C@@H]1C ZINC000262756450 330029489 /nfs/dbraw/zinc/02/94/89/330029489.db2.gz BLRJXPIURPRXLW-NWDGAFQWSA-N 2 2 270.446 0.999 10 30 CCEELP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)NC[C@]1(C)CCCO1 ZINC000154511766 614420703 /nfs/dbraw/zinc/42/07/03/614420703.db2.gz SANJIRVQGNKMFE-HIFRSBDPSA-N 2 2 298.431 0.441 10 30 CCEELP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)NC[C@]1(C)CCCO1 ZINC000154511766 614420709 /nfs/dbraw/zinc/42/07/09/614420709.db2.gz SANJIRVQGNKMFE-HIFRSBDPSA-N 2 2 298.431 0.441 10 30 CCEELP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000328628566 354241446 /nfs/dbraw/zinc/24/14/46/354241446.db2.gz NWQJJPRKQCJUBJ-NEPJUHHUSA-N 2 2 278.356 0.733 10 30 CCEELP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000328628566 354241447 /nfs/dbraw/zinc/24/14/47/354241447.db2.gz NWQJJPRKQCJUBJ-NEPJUHHUSA-N 2 2 278.356 0.733 10 30 CCEELP CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000328649516 389130089 /nfs/dbraw/zinc/13/00/89/389130089.db2.gz ASZSJLBKJOODJE-ZIAGYGMSSA-N 2 2 298.431 0.553 10 30 CCEELP CC[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000328649516 389130091 /nfs/dbraw/zinc/13/00/91/389130091.db2.gz ASZSJLBKJOODJE-ZIAGYGMSSA-N 2 2 298.431 0.553 10 30 CCEELP CC[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000328649516 389130094 /nfs/dbraw/zinc/13/00/94/389130094.db2.gz ASZSJLBKJOODJE-ZIAGYGMSSA-N 2 2 298.431 0.553 10 30 CCEELP CC[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000328649516 389130097 /nfs/dbraw/zinc/13/00/97/389130097.db2.gz ASZSJLBKJOODJE-ZIAGYGMSSA-N 2 2 298.431 0.553 10 30 CCEELP C[NH+]=C(NCC1CCC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262429430 330009991 /nfs/dbraw/zinc/00/99/91/330009991.db2.gz DMRJWTLULKCUFI-CQSZACIVSA-N 2 2 280.416 0.768 10 30 CCEELP CC[NH+]=C(NCC1CC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262504015 330018210 /nfs/dbraw/zinc/01/82/10/330018210.db2.gz ZHZWMWZDXDFHHA-CQSZACIVSA-N 2 2 280.416 0.768 10 30 CCEELP CC[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262502708 330018279 /nfs/dbraw/zinc/01/82/79/330018279.db2.gz YXUISGNJTMMLOR-BFHYXJOUSA-N 2 2 280.416 0.767 10 30 CCEELP CC(C)CNC(=[NH2+])NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000262717278 330028637 /nfs/dbraw/zinc/02/86/37/330028637.db2.gz SSHBLOSGFDDEPT-GFCCVEGCSA-N 2 2 254.378 0.410 10 30 CCEELP CC(C)CNC(=[NH2+])NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000262717278 330028638 /nfs/dbraw/zinc/02/86/38/330028638.db2.gz SSHBLOSGFDDEPT-GFCCVEGCSA-N 2 2 254.378 0.410 10 30 CCEELP CC/[NH+]=C(\N(C)C)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262438809 330012876 /nfs/dbraw/zinc/01/28/76/330012876.db2.gz HASYOOBINNOWPE-VEOJIXDASA-N 2 2 254.378 0.330 10 30 CCEELP C[NH+]=C(NC1CC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262488712 330017144 /nfs/dbraw/zinc/01/71/44/330017144.db2.gz UCJCAIDKQPNKMD-GFCCVEGCSA-N 2 2 252.362 0.131 10 30 CCEELP O=C(NCC[NH+]1CCSCC1)N1CCn2cc[nH+]c2C1 ZINC000329439921 283706255 /nfs/dbraw/zinc/70/62/55/283706255.db2.gz MTTCIOOTQGLSNF-UHFFFAOYSA-N 2 2 295.412 0.662 10 30 CCEELP 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O=C(NC[C@H](O)C[NH+]1CCOCC1)[C@H]1CCC[N@H+]1C1CC1 ZINC000330268894 545030630 /nfs/dbraw/zinc/03/06/30/545030630.db2.gz RLTSIBALVBSRRP-UONOGXRCSA-N 2 2 297.399 0.263 10 30 CCEELP Cn1cc[nH+]c1CNC(=O)c1ccc(C#CC[NH3+])s1 ZINC000071273732 176105836 /nfs/dbraw/zinc/10/58/36/176105836.db2.gz JXCWIEKEMLMDHK-UHFFFAOYSA-N 2 2 274.349 0.722 10 30 CCEELP C[NH+]=C(NC[C@@H]1CCCO1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262501465 330018021 /nfs/dbraw/zinc/01/80/21/330018021.db2.gz YNCMIVYLXLLPRO-KBPBESRZSA-N 2 2 296.415 0.147 10 30 CCEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC000178331123 333071055 /nfs/dbraw/zinc/07/10/55/333071055.db2.gz GQKVZURSHOGPPK-LBPRGKRZSA-N 2 2 261.329 0.296 10 30 CCEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)NCC#N ZINC000178331123 333071056 /nfs/dbraw/zinc/07/10/56/333071056.db2.gz GQKVZURSHOGPPK-LBPRGKRZSA-N 2 2 261.329 0.296 10 30 CCEELP N/C(=N/O)[C@@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000079817124 330062433 /nfs/dbraw/zinc/06/24/33/330062433.db2.gz JKZNGQVPVUNLTK-NSHDSACASA-N 2 2 251.334 0.874 10 30 CCEELP N/C(=N/O)[C@@H]1CCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000079817124 330062434 /nfs/dbraw/zinc/06/24/34/330062434.db2.gz JKZNGQVPVUNLTK-NSHDSACASA-N 2 2 251.334 0.874 10 30 CCEELP N#CC1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000060893017 348648772 /nfs/dbraw/zinc/64/87/72/348648772.db2.gz CXZXIQGZMSWYSN-UHFFFAOYSA-N 2 2 290.411 0.965 10 30 CCEELP C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000329480090 389166449 /nfs/dbraw/zinc/16/64/49/389166449.db2.gz VKSXTQLKLXKXIB-WCQYABFASA-N 2 2 282.388 0.057 10 30 CCEELP C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000329480090 389166451 /nfs/dbraw/zinc/16/64/51/389166451.db2.gz VKSXTQLKLXKXIB-WCQYABFASA-N 2 2 282.388 0.057 10 30 CCEELP C[NH+]1CCO[C@H](CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000329480090 389166455 /nfs/dbraw/zinc/16/64/55/389166455.db2.gz VKSXTQLKLXKXIB-WCQYABFASA-N 2 2 282.388 0.057 10 30 CCEELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC000178331136 333071082 /nfs/dbraw/zinc/07/10/82/333071082.db2.gz GQKVZURSHOGPPK-GFCCVEGCSA-N 2 2 261.329 0.296 10 30 CCEELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)NCC#N ZINC000178331136 333071083 /nfs/dbraw/zinc/07/10/83/333071083.db2.gz GQKVZURSHOGPPK-GFCCVEGCSA-N 2 2 261.329 0.296 10 30 CCEELP COc1cccc([C@H](CN/C(N)=[NH+]/O)[NH+](C)C)c1 ZINC000052833449 524159223 /nfs/dbraw/zinc/15/92/23/524159223.db2.gz KDQFYJFXRHOPGE-NSHDSACASA-N 2 2 252.318 0.591 10 30 CCEELP C[NH+]=C(NCCn1cc[nH+]c1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261971665 631740336 /nfs/dbraw/zinc/74/03/36/631740336.db2.gz MXWNRXNLKFTSPS-UONOGXRCSA-N 3 2 292.431 0.777 10 30 CCEELP C[NH+]=C(NCCn1cc[nH+]c1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261971665 631740339 /nfs/dbraw/zinc/74/03/39/631740339.db2.gz MXWNRXNLKFTSPS-UONOGXRCSA-N 3 2 292.431 0.777 10 30 CCEELP C[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)N(C)Cc1cccn1C ZINC000160882701 264263636 /nfs/dbraw/zinc/26/36/36/264263636.db2.gz PTWMYPDNKNUPRD-AWEZNQCLSA-N 2 2 293.415 0.363 10 30 CCEELP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)N(C)Cc1cccn1C ZINC000160882701 264263640 /nfs/dbraw/zinc/26/36/40/264263640.db2.gz PTWMYPDNKNUPRD-AWEZNQCLSA-N 2 2 293.415 0.363 10 30 CCEELP C=C(C)CNC(=[NH2+])NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000262685999 330027090 /nfs/dbraw/zinc/02/70/90/330027090.db2.gz DKIIXAWBNLBMGC-LBPRGKRZSA-N 2 2 252.362 0.330 10 30 CCEELP C=C(C)CNC(=[NH2+])NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000262685999 330027092 /nfs/dbraw/zinc/02/70/92/330027092.db2.gz DKIIXAWBNLBMGC-LBPRGKRZSA-N 2 2 252.362 0.330 10 30 CCEELP C[N@@H+]1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000124490636 350099339 /nfs/dbraw/zinc/09/93/39/350099339.db2.gz KSFAPKTZBUAWCE-GFCCVEGCSA-N 2 2 275.312 0.546 10 30 CCEELP C[N@H+]1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000124490636 350099346 /nfs/dbraw/zinc/09/93/46/350099346.db2.gz KSFAPKTZBUAWCE-GFCCVEGCSA-N 2 2 275.312 0.546 10 30 CCEELP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H]2CCC[C@@H]2C#N)CC1 ZINC000408196056 389833333 /nfs/dbraw/zinc/83/33/33/389833333.db2.gz AEKDFTLYSSEPOF-BFHYXJOUSA-N 2 2 278.400 0.821 10 30 CCEELP C[N@@H+]1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000226623079 264271845 /nfs/dbraw/zinc/27/18/45/264271845.db2.gz KSFAPKTZBUAWCE-LBPRGKRZSA-N 2 2 275.312 0.546 10 30 CCEELP C[N@H+]1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000226623079 264271846 /nfs/dbraw/zinc/27/18/46/264271846.db2.gz KSFAPKTZBUAWCE-LBPRGKRZSA-N 2 2 275.312 0.546 10 30 CCEELP CC[C@H]1C[N@@H+](CC[NH+]=C(N(C)C)N(C)C)CCO1 ZINC000262764499 330029981 /nfs/dbraw/zinc/02/99/81/330029981.db2.gz GYXHPRXVOZREGM-LBPRGKRZSA-N 2 2 256.394 0.576 10 30 CCEELP CC[C@H]1C[N@H+](CCNC(=[NH2+])N2CCO[C@H](C)C2)CCO1 ZINC000262450126 330013815 /nfs/dbraw/zinc/01/38/15/330013815.db2.gz JQYAPGUZAFGTBT-OLZOCXBDSA-N 2 2 284.404 0.133 10 30 CCEELP CC[C@H]1C[N@@H+](CCNC(=[NH2+])N2CCO[C@H](C)C2)CCO1 ZINC000262450126 330013816 /nfs/dbraw/zinc/01/38/16/330013816.db2.gz JQYAPGUZAFGTBT-OLZOCXBDSA-N 2 2 284.404 0.133 10 30 CCEELP CC[C@H]1C[N@H+](CC[NH+]=C(N(C)C)N(C)C)CCO1 ZINC000262764499 330029979 /nfs/dbraw/zinc/02/99/79/330029979.db2.gz GYXHPRXVOZREGM-LBPRGKRZSA-N 2 2 256.394 0.576 10 30 CCEELP N/C(=N/O)[C@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000079817119 330062482 /nfs/dbraw/zinc/06/24/82/330062482.db2.gz JKZNGQVPVUNLTK-LLVKDONJSA-N 2 2 251.334 0.874 10 30 CCEELP N/C(=N/O)[C@H]1CCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000079817119 330062484 /nfs/dbraw/zinc/06/24/84/330062484.db2.gz JKZNGQVPVUNLTK-LLVKDONJSA-N 2 2 251.334 0.874 10 30 CCEELP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N1CC[C@@]2(CCOC2)C1 ZINC000261969366 631739264 /nfs/dbraw/zinc/73/92/64/631739264.db2.gz MKACIOHSPQCHIX-UKRRQHHQSA-N 2 2 296.415 0.005 10 30 CCEELP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N1CC[C@@]2(CCOC2)C1 ZINC000261969366 631739271 /nfs/dbraw/zinc/73/92/71/631739271.db2.gz MKACIOHSPQCHIX-UKRRQHHQSA-N 2 2 296.415 0.005 10 30 CCEELP [NH2+]=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)Nc1ccccn1 ZINC000262689270 330027483 /nfs/dbraw/zinc/02/74/83/330027483.db2.gz FOUMHWOFNJNESD-LBPRGKRZSA-N 2 2 275.356 0.671 10 30 CCEELP [NH2+]=C(NC[C@H]1C[N@H+](C2CC2)CCO1)Nc1ccccn1 ZINC000262689270 330027484 /nfs/dbraw/zinc/02/74/84/330027484.db2.gz FOUMHWOFNJNESD-LBPRGKRZSA-N 2 2 275.356 0.671 10 30 CCEELP CN(C(=[NH2+])NC[C@@H]1C[N@@H+](C2CC2)CCO1)C1CC1 ZINC000262721850 330028579 /nfs/dbraw/zinc/02/85/79/330028579.db2.gz WBCDQRLVTJSENG-GFCCVEGCSA-N 2 2 252.362 0.259 10 30 CCEELP CN(C(=[NH2+])NC[C@@H]1C[N@H+](C2CC2)CCO1)C1CC1 ZINC000262721850 330028581 /nfs/dbraw/zinc/02/85/81/330028581.db2.gz WBCDQRLVTJSENG-GFCCVEGCSA-N 2 2 252.362 0.259 10 30 CCEELP C#CCOc1ccc(C[NH2+]CC[NH2+]CCO)cc1OC ZINC000045946439 330350137 /nfs/dbraw/zinc/35/01/37/330350137.db2.gz HVVDQOYEBCHWQQ-UHFFFAOYSA-N 2 2 278.352 0.379 10 30 CCEELP C[N@@H+]1CCO[C@H](CNC(=[NH2+])NCCc2cccs2)C1 ZINC000262023873 631760507 /nfs/dbraw/zinc/76/05/07/631760507.db2.gz YUTFDKCHPFNQQU-LLVKDONJSA-N 2 2 282.413 0.526 10 30 CCEELP C[N@H+]1CCO[C@H](CNC(=[NH2+])NCCc2cccs2)C1 ZINC000262023873 631760517 /nfs/dbraw/zinc/76/05/17/631760517.db2.gz YUTFDKCHPFNQQU-LLVKDONJSA-N 2 2 282.413 0.526 10 30 CCEELP