smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc(C#N)c1 ZINC000344104698 164104039 /nfs/dbraw/zinc/10/40/39/164104039.db2.gz PUTCWKDGDVNTLH-MTNREXPMSA-N 2 2 349.478 3.092 20 30 EGEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc(C#N)c1 ZINC000344104698 164104042 /nfs/dbraw/zinc/10/40/42/164104042.db2.gz PUTCWKDGDVNTLH-MTNREXPMSA-N 2 2 349.478 3.092 20 30 EGEDLP C[C@@H]1C[C@H](CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000273153590 267088146 /nfs/dbraw/zinc/08/81/46/267088146.db2.gz IKZFBHQDYUNALF-QZTJIDSGSA-N 2 2 341.499 3.317 20 30 EGEDLP C[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000285885247 267163072 /nfs/dbraw/zinc/16/30/72/267163072.db2.gz ZSVBGXRTCWSQOT-QZTJIDSGSA-N 2 2 340.515 3.237 20 30 EGEDLP C[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000285885247 267163076 /nfs/dbraw/zinc/16/30/76/267163076.db2.gz ZSVBGXRTCWSQOT-QZTJIDSGSA-N 2 2 340.515 3.237 20 30 EGEDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000278575059 268043137 /nfs/dbraw/zinc/04/31/37/268043137.db2.gz CLHYLPPBUSVCQB-UHFFFAOYSA-N 2 2 325.387 3.444 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3ccc(O)cc3)CC2)cc1 ZINC000271889385 268065620 /nfs/dbraw/zinc/06/56/20/268065620.db2.gz RRGDWSRRLJATPM-UHFFFAOYSA-N 2 2 335.451 3.061 20 30 EGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]CC1([NH+]3CCSCC3)CCCC1)CC2 ZINC000565590060 316344049 /nfs/dbraw/zinc/34/40/49/316344049.db2.gz AELXLHUPOAHIEA-LJQANCHMSA-N 2 2 341.524 3.497 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)s1 ZINC000565959874 316395473 /nfs/dbraw/zinc/39/54/73/316395473.db2.gz VLZXLIORUCSZDV-UHFFFAOYSA-N 2 2 334.448 3.490 20 30 EGEDLP Cc1cc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(C#N)c[nH+]1 ZINC000571635478 317226781 /nfs/dbraw/zinc/22/67/81/317226781.db2.gz HMJCPCFNIHCSFP-KBXCAEBGSA-N 2 2 326.469 3.240 20 30 EGEDLP Cc1cc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(C#N)c[nH+]1 ZINC000571635478 317226783 /nfs/dbraw/zinc/22/67/83/317226783.db2.gz HMJCPCFNIHCSFP-KBXCAEBGSA-N 2 2 326.469 3.240 20 30 EGEDLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000600848081 460620336 /nfs/dbraw/zinc/62/03/36/460620336.db2.gz CRLSMDRFARKLSO-OAHLLOKOSA-N 2 2 326.444 3.033 20 30 EGEDLP N#Cc1ccccc1COc1cccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000066905883 453885067 /nfs/dbraw/zinc/88/50/67/453885067.db2.gz BGEWFMFQABYXDQ-HXUWFJFHSA-N 2 2 347.462 3.464 20 30 EGEDLP N#Cc1ccccc1COc1cccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000066905883 453885069 /nfs/dbraw/zinc/88/50/69/453885069.db2.gz BGEWFMFQABYXDQ-HXUWFJFHSA-N 2 2 347.462 3.464 20 30 EGEDLP Cc1csc(CO[NH+]=C(N)c2ccccc2C[NH+]2CCCCC2)n1 ZINC000088519821 454109628 /nfs/dbraw/zinc/10/96/28/454109628.db2.gz XDPBNUPASVHQFU-UHFFFAOYSA-N 2 2 344.484 3.275 20 30 EGEDLP C=C(C)COc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)ccc1OC ZINC000057969353 454158463 /nfs/dbraw/zinc/15/84/63/454158463.db2.gz JBQZVWCSHMSGGS-INIZCTEOSA-N 2 2 329.444 3.273 20 30 EGEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1OC ZINC000092072806 454515748 /nfs/dbraw/zinc/51/57/48/454515748.db2.gz WMLZRFIJZOSVRN-MRXNPFEDSA-N 2 2 327.428 3.363 20 30 EGEDLP C=CCOc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1OC ZINC000092072806 454515754 /nfs/dbraw/zinc/51/57/54/454515754.db2.gz WMLZRFIJZOSVRN-MRXNPFEDSA-N 2 2 327.428 3.363 20 30 EGEDLP COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134937605 454612666 /nfs/dbraw/zinc/61/26/66/454612666.db2.gz RZBFHINETHNWIM-VQIMIIECSA-N 2 2 325.456 3.016 20 30 EGEDLP COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134937605 454612670 /nfs/dbraw/zinc/61/26/70/454612670.db2.gz RZBFHINETHNWIM-VQIMIIECSA-N 2 2 325.456 3.016 20 30 EGEDLP COc1ccc(C#N)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134937605 454612678 /nfs/dbraw/zinc/61/26/78/454612678.db2.gz RZBFHINETHNWIM-VQIMIIECSA-N 2 2 325.456 3.016 20 30 EGEDLP COc1ccc(C#N)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134937605 454612685 /nfs/dbraw/zinc/61/26/85/454612685.db2.gz RZBFHINETHNWIM-VQIMIIECSA-N 2 2 325.456 3.016 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000124215703 454707038 /nfs/dbraw/zinc/70/70/38/454707038.db2.gz NEPVXQHSBTVRKP-UHFFFAOYSA-N 2 2 344.484 3.122 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124215703 454707040 /nfs/dbraw/zinc/70/70/40/454707040.db2.gz NEPVXQHSBTVRKP-UHFFFAOYSA-N 2 2 344.484 3.122 20 30 EGEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](CCC#N)CC(C)(C)C)c2cc1C ZINC000111250663 454858701 /nfs/dbraw/zinc/85/87/01/454858701.db2.gz BHADVSOTIBGZHR-KRWDZBQOSA-N 2 2 342.487 3.276 20 30 EGEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](CCC#N)CC(C)(C)C)c2cc1C ZINC000111250663 454858707 /nfs/dbraw/zinc/85/87/07/454858707.db2.gz BHADVSOTIBGZHR-KRWDZBQOSA-N 2 2 342.487 3.276 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(O)ccc2Br)CC1 ZINC000127124075 454939501 /nfs/dbraw/zinc/93/95/01/454939501.db2.gz OFPKTGXPPFSMKG-UHFFFAOYSA-N 2 2 339.277 3.285 20 30 EGEDLP COc1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)cc1OCCCC#N ZINC000179837212 455086763 /nfs/dbraw/zinc/08/67/63/455086763.db2.gz HUGDNXAEDKVDIY-UHFFFAOYSA-N 2 2 345.487 3.340 20 30 EGEDLP Cc1cccc([C@@H](O)C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000271858636 455789244 /nfs/dbraw/zinc/78/92/44/455789244.db2.gz JWEDXRHUMOEWHH-QFIPXVFZSA-N 2 2 349.478 3.154 20 30 EGEDLP COc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)cc1OCCCC#N ZINC000290525706 456353206 /nfs/dbraw/zinc/35/32/06/456353206.db2.gz QIDQOEUIJGUHFZ-UHFFFAOYSA-N 2 2 342.443 3.096 20 30 EGEDLP COc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1OCCCC#N ZINC000290525706 456353213 /nfs/dbraw/zinc/35/32/13/456353213.db2.gz QIDQOEUIJGUHFZ-UHFFFAOYSA-N 2 2 342.443 3.096 20 30 EGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000303541220 456466679 /nfs/dbraw/zinc/46/66/79/456466679.db2.gz GDYTYGHVZFQIOM-SLFFLAALSA-N 2 2 349.563 3.386 20 30 EGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000303541220 456466684 /nfs/dbraw/zinc/46/66/84/456466684.db2.gz GDYTYGHVZFQIOM-SLFFLAALSA-N 2 2 349.563 3.386 20 30 EGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000303541220 456466689 /nfs/dbraw/zinc/46/66/89/456466689.db2.gz GDYTYGHVZFQIOM-SLFFLAALSA-N 2 2 349.563 3.386 20 30 EGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000303541220 456466693 /nfs/dbraw/zinc/46/66/93/456466693.db2.gz GDYTYGHVZFQIOM-SLFFLAALSA-N 2 2 349.563 3.386 20 30 EGEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC000348318320 456618332 /nfs/dbraw/zinc/61/83/32/456618332.db2.gz LOPFWMUHSICWIO-PMACEKPBSA-N 2 2 335.426 3.261 20 30 EGEDLP Cc1[nH+]c2ccccc2n1CC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000329953962 456966623 /nfs/dbraw/zinc/96/66/23/456966623.db2.gz NNNXLSJHFISLON-UHFFFAOYSA-N 2 2 326.444 3.176 20 30 EGEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1OC ZINC000365821702 457778235 /nfs/dbraw/zinc/77/82/35/457778235.db2.gz QWKOIPXOCNRMIR-KRWDZBQOSA-N 2 2 341.455 3.373 20 30 EGEDLP C=CCOc1ccc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1OC ZINC000365821702 457778240 /nfs/dbraw/zinc/77/82/40/457778240.db2.gz QWKOIPXOCNRMIR-KRWDZBQOSA-N 2 2 341.455 3.373 20 30 EGEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000376042200 458174421 /nfs/dbraw/zinc/17/44/21/458174421.db2.gz CKPWOTSTCXRSTH-GOSISDBHSA-N 2 2 338.455 3.482 20 30 EGEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000376042200 458174426 /nfs/dbraw/zinc/17/44/26/458174426.db2.gz CKPWOTSTCXRSTH-GOSISDBHSA-N 2 2 338.455 3.482 20 30 EGEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2OC(F)F)C[C@H]1C ZINC000437890818 458507811 /nfs/dbraw/zinc/50/78/11/458507811.db2.gz NLPVZKYXASFMCT-CZUORRHYSA-N 2 2 337.414 3.464 20 30 EGEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2OC(F)F)C[C@H]1C ZINC000437890818 458507817 /nfs/dbraw/zinc/50/78/17/458507817.db2.gz NLPVZKYXASFMCT-CZUORRHYSA-N 2 2 337.414 3.464 20 30 EGEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2OC(F)F)C[C@H]1C ZINC000437890818 458507819 /nfs/dbraw/zinc/50/78/19/458507819.db2.gz NLPVZKYXASFMCT-CZUORRHYSA-N 2 2 337.414 3.464 20 30 EGEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)C[C@H]1C ZINC000437890818 458507823 /nfs/dbraw/zinc/50/78/23/458507823.db2.gz NLPVZKYXASFMCT-CZUORRHYSA-N 2 2 337.414 3.464 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[N@@H+](CCC)C1CC[NH2+]CC1 ZINC000431073012 458525649 /nfs/dbraw/zinc/52/56/49/458525649.db2.gz VGUQTKBDESLOED-UHFFFAOYSA-N 2 2 347.528 3.367 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[N@H+](CCC)C1CC[NH2+]CC1 ZINC000431073012 458525653 /nfs/dbraw/zinc/52/56/53/458525653.db2.gz VGUQTKBDESLOED-UHFFFAOYSA-N 2 2 347.528 3.367 20 30 EGEDLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CC[C@@H](C#N)C3)[nH+]c12 ZINC000442845254 459044549 /nfs/dbraw/zinc/04/45/49/459044549.db2.gz XESIVGDKEDVPST-TZMCWYRMSA-N 2 2 347.260 3.230 20 30 EGEDLP C=C(C)C[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000481215150 459240091 /nfs/dbraw/zinc/24/00/91/459240091.db2.gz XDPDQMWGJLAJCB-SFHVURJKSA-N 2 2 349.906 3.101 20 30 EGEDLP C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000579473914 459247403 /nfs/dbraw/zinc/24/74/03/459247403.db2.gz SCKZMNMJEAQMQF-ZWKOTPCHSA-N 2 2 330.472 3.367 20 30 EGEDLP C=CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000579473914 459247405 /nfs/dbraw/zinc/24/74/05/459247405.db2.gz SCKZMNMJEAQMQF-ZWKOTPCHSA-N 2 2 330.472 3.367 20 30 EGEDLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000593691901 459952399 /nfs/dbraw/zinc/95/23/99/459952399.db2.gz UPCGJZBENIVYQJ-IGOJGBNBSA-N 2 2 327.472 3.068 20 30 EGEDLP CC(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CCO1 ZINC000593693327 459953744 /nfs/dbraw/zinc/95/37/44/459953744.db2.gz UMPCBPDVKOXFFB-SFTDATJTSA-N 2 2 341.499 3.316 20 30 EGEDLP COC[C@H](CC(C)C)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593701612 459958370 /nfs/dbraw/zinc/95/83/70/459958370.db2.gz HBCYMMRLPHMXQR-FQEVSTJZSA-N 2 2 329.488 3.173 20 30 EGEDLP CC1CC[NH+]([C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)c2cccs2)CC1 ZINC000598705110 460001071 /nfs/dbraw/zinc/00/10/71/460001071.db2.gz YUHOBYTXYZAUKG-IRXDYDNUSA-N 2 2 349.544 3.411 20 30 EGEDLP C=C(C)[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccc(F)c(F)c1 ZINC000639058371 461697139 /nfs/dbraw/zinc/69/71/39/461697139.db2.gz LBVZAGWXHJXTIN-GOSISDBHSA-N 2 2 338.442 3.407 20 30 EGEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000730283408 574965876 /nfs/dbraw/zinc/96/58/76/574965876.db2.gz PJFOUDZXAAQZHX-FQEVSTJZSA-N 2 2 339.483 3.099 20 30 EGEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000730283408 574965877 /nfs/dbraw/zinc/96/58/77/574965877.db2.gz PJFOUDZXAAQZHX-FQEVSTJZSA-N 2 2 339.483 3.099 20 30 EGEDLP C#CCOc1ccc(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000733324515 575327703 /nfs/dbraw/zinc/32/77/03/575327703.db2.gz HEFLIXVOCNBJPG-OAQYLSRUSA-N 2 2 334.463 3.453 20 30 EGEDLP C#CCOc1ccc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000733324515 575327704 /nfs/dbraw/zinc/32/77/04/575327704.db2.gz HEFLIXVOCNBJPG-OAQYLSRUSA-N 2 2 334.463 3.453 20 30 EGEDLP COc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1C#N ZINC000742366478 576773811 /nfs/dbraw/zinc/77/38/11/576773811.db2.gz HCZHPLHZJHQSJC-UHFFFAOYSA-N 2 2 332.407 3.101 20 30 EGEDLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1C#N ZINC000742370380 576774698 /nfs/dbraw/zinc/77/46/98/576774698.db2.gz PKKFNVNTDKQARQ-OXJNMPFZSA-N 2 2 335.451 3.492 20 30 EGEDLP COc1ccc(C[NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1C#N ZINC000742370380 576774701 /nfs/dbraw/zinc/77/47/01/576774701.db2.gz PKKFNVNTDKQARQ-OXJNMPFZSA-N 2 2 335.451 3.492 20 30 EGEDLP C#CCOc1ccccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000116385205 1293204686 /nfs/dbraw/zinc/20/46/86/1293204686.db2.gz LNQTXCDSUWLJMN-RXVVDRJESA-N 2 2 349.478 3.094 20 30 EGEDLP C#CCOc1ccccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116385205 1293204693 /nfs/dbraw/zinc/20/46/93/1293204693.db2.gz LNQTXCDSUWLJMN-RXVVDRJESA-N 2 2 349.478 3.094 20 30 EGEDLP CC[C@H](C)NC(=[NH2+])NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000183887271 1295155561 /nfs/dbraw/zinc/15/55/61/1295155561.db2.gz RZNCDMKAOLHLSY-FZMZJTMJSA-N 2 2 330.398 3.011 20 30 EGEDLP C[NH+](C)[C@@H](CNC(=[NH2+])NC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC000183890912 1295157339 /nfs/dbraw/zinc/15/73/39/1295157339.db2.gz QSEXGBATNBOOTH-ZDUSSCGKSA-N 2 2 330.398 3.011 20 30 EGEDLP CCc1ccc([C@H](CNC(=[NH2+])Nc2cccc(OC)c2)[NH+](C)C)cc1 ZINC000303778336 1296852328 /nfs/dbraw/zinc/85/23/28/1296852328.db2.gz JNHSSQSULZQLEC-IBGZPJMESA-N 2 2 340.471 3.287 20 30 EGEDLP CCCNC(=[NH2+])NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000303888892 1296871500 /nfs/dbraw/zinc/87/15/00/1296871500.db2.gz LPIAOZFWBMPECP-KRWDZBQOSA-N 2 2 342.512 3.162 20 30 EGEDLP CCCNC(=[NH2+])NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000303888892 1296871521 /nfs/dbraw/zinc/87/15/21/1296871521.db2.gz LPIAOZFWBMPECP-KRWDZBQOSA-N 2 2 342.512 3.162 20 30 EGEDLP N#CC1(CCC[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CCOCC1 ZINC000880570257 1301166585 /nfs/dbraw/zinc/16/65/85/1301166585.db2.gz VLMZYFPOIQHFJZ-IBGZPJMESA-N 2 2 338.455 3.315 20 30 EGEDLP C#CCOc1cccc(Cl)c1C[NH2+]CCCNc1cccc[nH+]1 ZINC000778177144 1304410759 /nfs/dbraw/zinc/41/07/59/1304410759.db2.gz PBGFZLFMPGFOJV-UHFFFAOYSA-N 2 2 329.831 3.339 20 30 EGEDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000817941215 1319470517 /nfs/dbraw/zinc/47/05/17/1319470517.db2.gz JKKSGQCLQZEXCR-NHCUHLMSSA-N 2 2 334.467 3.291 20 30 EGEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@]2(COC)CCC[NH2+]2)cc1 ZINC000817974408 1319482761 /nfs/dbraw/zinc/48/27/61/1319482761.db2.gz LJLQSJNNKJOQMB-MAUKXSAKSA-N 2 2 338.879 3.237 20 30 EGEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OC[C@@H]2CCCCC2(F)F)cc1 ZINC000842036685 1321338258 /nfs/dbraw/zinc/33/82/58/1321338258.db2.gz OUYHOUKUGDNFSI-HNNXBMFYSA-N 2 2 325.403 3.211 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025254498 1324061254 /nfs/dbraw/zinc/06/12/54/1324061254.db2.gz JXRLDUAPXJQNEL-RTBURBONSA-N 2 2 344.503 3.085 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025254498 1324061259 /nfs/dbraw/zinc/06/12/59/1324061259.db2.gz JXRLDUAPXJQNEL-RTBURBONSA-N 2 2 344.503 3.085 20 30 EGEDLP C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948554173 1333573029 /nfs/dbraw/zinc/57/30/29/1333573029.db2.gz RMIAMWXAUCLRBL-MRXNPFEDSA-N 2 2 326.444 3.066 20 30 EGEDLP C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948554173 1333573030 /nfs/dbraw/zinc/57/30/30/1333573030.db2.gz RMIAMWXAUCLRBL-MRXNPFEDSA-N 2 2 326.444 3.066 20 30 EGEDLP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034207886 1342318129 /nfs/dbraw/zinc/31/81/29/1342318129.db2.gz SXULMLYWNCMWRV-SFHVURJKSA-N 2 2 340.471 3.193 20 30 EGEDLP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034207886 1342318133 /nfs/dbraw/zinc/31/81/33/1342318133.db2.gz SXULMLYWNCMWRV-SFHVURJKSA-N 2 2 340.471 3.193 20 30 EGEDLP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001045969702 1346804716 /nfs/dbraw/zinc/80/47/16/1346804716.db2.gz XKFZCMINPKYHLY-QUCCMNQESA-N 2 2 344.503 3.115 20 30 EGEDLP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001045969702 1346804718 /nfs/dbraw/zinc/80/47/18/1346804718.db2.gz XKFZCMINPKYHLY-QUCCMNQESA-N 2 2 344.503 3.115 20 30 EGEDLP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cc4c[nH+]ccc4[nH]3)CCC[C@@H]12 ZINC001094449129 1361805037 /nfs/dbraw/zinc/80/50/37/1361805037.db2.gz INSPNCKRRKFICZ-UYAOXDASSA-N 2 2 338.455 3.113 20 30 EGEDLP C=CCC[N@H+]1CC[C@@]2(CNC(=O)c3cc4c[nH+]ccc4[nH]3)CCC[C@@H]12 ZINC001094449129 1361805042 /nfs/dbraw/zinc/80/50/42/1361805042.db2.gz INSPNCKRRKFICZ-UYAOXDASSA-N 2 2 338.455 3.113 20 30 EGEDLP C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001099264182 1363721805 /nfs/dbraw/zinc/72/18/05/1363721805.db2.gz OVOJEBYFHLQTPQ-AEFFLSMTSA-N 2 2 346.519 3.161 20 30 EGEDLP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001099264182 1363721806 /nfs/dbraw/zinc/72/18/06/1363721806.db2.gz OVOJEBYFHLQTPQ-AEFFLSMTSA-N 2 2 346.519 3.161 20 30 EGEDLP C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001099264182 1363721810 /nfs/dbraw/zinc/72/18/10/1363721810.db2.gz OVOJEBYFHLQTPQ-AEFFLSMTSA-N 2 2 346.519 3.161 20 30 EGEDLP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001099264182 1363721813 /nfs/dbraw/zinc/72/18/13/1363721813.db2.gz OVOJEBYFHLQTPQ-AEFFLSMTSA-N 2 2 346.519 3.161 20 30 EGEDLP C=CCCCCC[NH2+]C1CC(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001100441122 1364115988 /nfs/dbraw/zinc/11/59/88/1364115988.db2.gz DUWHUVCCZXMMOJ-UHFFFAOYSA-N 2 2 346.519 3.157 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001103070812 1365364040 /nfs/dbraw/zinc/36/40/40/1365364040.db2.gz SFEFFDZXDVLMTN-QZTJIDSGSA-N 2 2 346.519 3.163 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001103070812 1365364045 /nfs/dbraw/zinc/36/40/45/1365364045.db2.gz SFEFFDZXDVLMTN-QZTJIDSGSA-N 2 2 346.519 3.163 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001103070812 1365364049 /nfs/dbraw/zinc/36/40/49/1365364049.db2.gz SFEFFDZXDVLMTN-QZTJIDSGSA-N 2 2 346.519 3.163 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001103070812 1365364052 /nfs/dbraw/zinc/36/40/52/1365364052.db2.gz SFEFFDZXDVLMTN-QZTJIDSGSA-N 2 2 346.519 3.163 20 30 EGEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001106455440 1366701075 /nfs/dbraw/zinc/70/10/75/1366701075.db2.gz UDFIBUVQFVJKFH-CRAIPNDOSA-N 2 2 329.488 3.271 20 30 EGEDLP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001110189468 1367556060 /nfs/dbraw/zinc/55/60/60/1367556060.db2.gz AWHYZOKUOSXIHR-QYZOEREBSA-N 2 2 346.519 3.355 20 30 EGEDLP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001110189468 1367556063 /nfs/dbraw/zinc/55/60/63/1367556063.db2.gz AWHYZOKUOSXIHR-QYZOEREBSA-N 2 2 346.519 3.355 20 30 EGEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001110699489 1367937382 /nfs/dbraw/zinc/93/73/82/1367937382.db2.gz SGDWEHXGEAGLAN-YRXWBPOGSA-N 2 2 344.503 3.158 20 30 EGEDLP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001110699489 1367937385 /nfs/dbraw/zinc/93/73/85/1367937385.db2.gz SGDWEHXGEAGLAN-YRXWBPOGSA-N 2 2 344.503 3.158 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001196288153 1368584236 /nfs/dbraw/zinc/58/42/36/1368584236.db2.gz QHDTXSUDYVFIFW-OAHLLOKOSA-N 2 2 326.444 3.066 20 30 EGEDLP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001196288153 1368584248 /nfs/dbraw/zinc/58/42/48/1368584248.db2.gz QHDTXSUDYVFIFW-OAHLLOKOSA-N 2 2 326.444 3.066 20 30 EGEDLP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001201182579 1369491290 /nfs/dbraw/zinc/49/12/90/1369491290.db2.gz IYTYGPJKXXGNGX-GOSISDBHSA-N 2 2 332.492 3.017 20 30 EGEDLP CCCCCCC[NH2+][C@H]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C12CCC2 ZINC001202858118 1369910412 /nfs/dbraw/zinc/91/04/12/1369910412.db2.gz ZRKHFXALASPOEV-DLBZAZTESA-N 2 2 346.519 3.330 20 30 EGEDLP CCCCCCC[NH2+]CC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001205119607 1370655951 /nfs/dbraw/zinc/65/59/51/1370655951.db2.gz WZQJWVUJENICHH-UHFFFAOYSA-N 2 2 334.508 3.141 20 30 EGEDLP C=CCCC[NH2+]CC1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001205290434 1370708357 /nfs/dbraw/zinc/70/83/57/1370708357.db2.gz JTGJWLAZQMLJGI-UHFFFAOYSA-N 2 2 340.471 3.051 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001206238154 1371000272 /nfs/dbraw/zinc/00/02/72/1371000272.db2.gz JAANYHDMOPRREM-DOTOQJQBSA-N 2 2 344.503 3.013 20 30 EGEDLP C=CCCCCC[NH2+]CC1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001206533475 1371086243 /nfs/dbraw/zinc/08/62/43/1371086243.db2.gz KQUAOIIIBSBVTJ-KRWDZBQOSA-N 2 2 346.519 3.163 20 30 EGEDLP C=CCCCCC[NH2+]CC1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001206533475 1371086249 /nfs/dbraw/zinc/08/62/49/1371086249.db2.gz KQUAOIIIBSBVTJ-KRWDZBQOSA-N 2 2 346.519 3.163 20 30 EGEDLP CCCCCCC[NH2+]CC1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001206533472 1371086866 /nfs/dbraw/zinc/08/68/66/1371086866.db2.gz KKZIJYSBAULVRZ-KRWDZBQOSA-N 2 2 348.535 3.387 20 30 EGEDLP CCCCCCC[NH2+]CC1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001206533472 1371086870 /nfs/dbraw/zinc/08/68/70/1371086870.db2.gz KKZIJYSBAULVRZ-KRWDZBQOSA-N 2 2 348.535 3.387 20 30 EGEDLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC001206555361 1371092544 /nfs/dbraw/zinc/09/25/44/1371092544.db2.gz JQWOABYTJWSLJN-MRXNPFEDSA-N 2 2 336.277 3.272 20 30 EGEDLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC001206555361 1371092547 /nfs/dbraw/zinc/09/25/47/1371092547.db2.gz JQWOABYTJWSLJN-MRXNPFEDSA-N 2 2 336.277 3.272 20 30 EGEDLP CCCCCCC[NH2+]CC1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001206970840 1371252079 /nfs/dbraw/zinc/25/20/79/1371252079.db2.gz LZAQQBKGZXYKJE-UHFFFAOYSA-N 2 2 348.535 3.462 20 30 EGEDLP O=C1C=C2C[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)CCC2S1 ZINC001207288789 1371351344 /nfs/dbraw/zinc/35/13/44/1371351344.db2.gz CUUAUZPXYPYCKX-LJQANCHMSA-N 2 2 342.508 3.173 20 30 EGEDLP O=C1C=C2C[N@H+](CC3CC[NH+](Cc4ccccc4)CC3)CCC2S1 ZINC001207288789 1371351350 /nfs/dbraw/zinc/35/13/50/1371351350.db2.gz CUUAUZPXYPYCKX-LJQANCHMSA-N 2 2 342.508 3.173 20 30 EGEDLP O=C1C=C2C[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)CC[C@H]2S1 ZINC001207288789 1371351356 /nfs/dbraw/zinc/35/13/56/1371351356.db2.gz CUUAUZPXYPYCKX-LJQANCHMSA-N 2 2 342.508 3.173 20 30 EGEDLP O=C1C=C2C[N@H+](CC3CC[NH+](Cc4ccccc4)CC3)CC[C@H]2S1 ZINC001207288789 1371351359 /nfs/dbraw/zinc/35/13/59/1371351359.db2.gz CUUAUZPXYPYCKX-LJQANCHMSA-N 2 2 342.508 3.173 20 30 EGEDLP CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001208364721 1371737149 /nfs/dbraw/zinc/73/71/49/1371737149.db2.gz HLURTFRGWMVYRZ-GVDBMIGSSA-N 2 2 332.492 3.064 20 30 EGEDLP CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001208364721 1371737155 /nfs/dbraw/zinc/73/71/55/1371737155.db2.gz HLURTFRGWMVYRZ-GVDBMIGSSA-N 2 2 332.492 3.064 20 30 EGEDLP CCCCCCC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001208407618 1371756302 /nfs/dbraw/zinc/75/63/02/1371756302.db2.gz FXVUXZRZBVHVRI-SFHVURJKSA-N 2 2 347.503 3.184 20 30 EGEDLP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001208410700 1371757722 /nfs/dbraw/zinc/75/77/22/1371757722.db2.gz CLOAYMTWMKRCDX-GOSISDBHSA-N 2 2 346.519 3.254 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001208984688 1371968620 /nfs/dbraw/zinc/96/86/20/1371968620.db2.gz GDCBDWJNZWRWAF-FGTMMUONSA-N 2 2 332.492 3.017 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001208984688 1371968623 /nfs/dbraw/zinc/96/86/23/1371968623.db2.gz GDCBDWJNZWRWAF-FGTMMUONSA-N 2 2 332.492 3.017 20 30 EGEDLP C=C(C[NH+]1CCCCC1)c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001211436767 1372558666 /nfs/dbraw/zinc/55/86/66/1372558666.db2.gz WLKAPMHDKSPTJQ-UHFFFAOYSA-N 2 2 335.411 3.421 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001215134203 1373175985 /nfs/dbraw/zinc/17/59/85/1373175985.db2.gz BXTHZYQPRFCOBP-IAGOWNOFSA-N 2 2 342.487 3.355 20 30 EGEDLP Cc1nc(O[C@@H]2CCCC[NH2+]C2)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001217972782 1373522867 /nfs/dbraw/zinc/52/28/67/1373522867.db2.gz HIPURHAFAZQNCQ-QGZVFWFLSA-N 2 2 347.422 3.097 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001132090240 1375140299 /nfs/dbraw/zinc/14/02/99/1375140299.db2.gz FIWAXXSXDDBVTI-WMZOPIPTSA-N 2 2 334.508 3.282 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001132090240 1375140301 /nfs/dbraw/zinc/14/03/01/1375140301.db2.gz FIWAXXSXDDBVTI-WMZOPIPTSA-N 2 2 334.508 3.282 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001132090240 1375140302 /nfs/dbraw/zinc/14/03/02/1375140302.db2.gz FIWAXXSXDDBVTI-WMZOPIPTSA-N 2 2 334.508 3.282 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001132090240 1375140303 /nfs/dbraw/zinc/14/03/03/1375140303.db2.gz FIWAXXSXDDBVTI-WMZOPIPTSA-N 2 2 334.508 3.282 20 30 EGEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001226965338 1375373056 /nfs/dbraw/zinc/37/30/56/1375373056.db2.gz UXSBTYBOOHEJMG-KURKYZTESA-N 2 2 332.492 3.063 20 30 EGEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC[C@@H]1C ZINC001132992756 1375699369 /nfs/dbraw/zinc/69/93/69/1375699369.db2.gz MFRRGCPZWYJXTL-KBXCAEBGSA-N 2 2 329.488 3.271 20 30 EGEDLP C=CCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001134743626 1376692029 /nfs/dbraw/zinc/69/20/29/1376692029.db2.gz ABXRKXWLUFSFMT-DLBZAZTESA-N 2 2 347.503 3.252 20 30 EGEDLP C=C(Cl)C[NH2+]C1(CNC(=O)c2ccn3c(C)c[nH+]c3c2)CCCC1 ZINC001268036163 1377483199 /nfs/dbraw/zinc/48/31/99/1377483199.db2.gz MUVLWCOECCHDNF-UHFFFAOYSA-N 2 2 346.862 3.027 20 30 EGEDLP C=CCc1cccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1O ZINC001138626847 1377756020 /nfs/dbraw/zinc/75/60/20/1377756020.db2.gz QGTDAJOIQNGNPU-PMACEKPBSA-N 2 2 349.478 3.080 20 30 EGEDLP N#Cc1ccc2c(C[NH+]3CCC(Oc4cc[nH+]cc4)CC3)c[nH]c2c1 ZINC001142916752 1378508354 /nfs/dbraw/zinc/50/83/54/1378508354.db2.gz YKAISSYGYIHTNB-UHFFFAOYSA-N 2 2 332.407 3.478 20 30 EGEDLP C=CCCC[NH2+]CC1(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001165749885 1383338480 /nfs/dbraw/zinc/33/84/80/1383338480.db2.gz KUDNURNLFGBVHR-UHFFFAOYSA-N 2 2 326.444 3.019 20 30 EGEDLP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001171604158 1384577440 /nfs/dbraw/zinc/57/74/40/1384577440.db2.gz HEFOYIFLCGRATB-RDJZCZTQSA-N 2 2 346.519 3.054 20 30 EGEDLP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001171604158 1384577444 /nfs/dbraw/zinc/57/74/44/1384577444.db2.gz HEFOYIFLCGRATB-RDJZCZTQSA-N 2 2 346.519 3.054 20 30 EGEDLP N#CCC1CCC([N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)CC1 ZINC001173334431 1384960923 /nfs/dbraw/zinc/96/09/23/1384960923.db2.gz XIGCOGIABZHQHL-FPGXKEGCSA-N 2 2 338.499 3.308 20 30 EGEDLP N#CCC1CCC([N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)CC1 ZINC001173334431 1384960925 /nfs/dbraw/zinc/96/09/25/1384960925.db2.gz XIGCOGIABZHQHL-FPGXKEGCSA-N 2 2 338.499 3.308 20 30 EGEDLP N#CCC1CCC([NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)CC1 ZINC001173334431 1384960927 /nfs/dbraw/zinc/96/09/27/1384960927.db2.gz XIGCOGIABZHQHL-FPGXKEGCSA-N 2 2 338.499 3.308 20 30 EGEDLP N#CCC1CCC([NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)CC1 ZINC001173334431 1384960931 /nfs/dbraw/zinc/96/09/31/1384960931.db2.gz XIGCOGIABZHQHL-FPGXKEGCSA-N 2 2 338.499 3.308 20 30 EGEDLP C[NH+]1CCN(c2ccc(Nc3cc[nH+]c4ccccc34)cc2C#N)CC1 ZINC001174038224 1385048182 /nfs/dbraw/zinc/04/81/82/1385048182.db2.gz KCXFVGMCAXLNHY-UHFFFAOYSA-N 2 2 343.434 3.024 20 30 EGEDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc(C#N)ccc1Cl ZINC001340982421 1390418513 /nfs/dbraw/zinc/41/85/13/1390418513.db2.gz YRQVCCNKWRPMSH-UHFFFAOYSA-N 2 2 337.770 3.353 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001752567588 1440195615 /nfs/dbraw/zinc/19/56/15/1440195615.db2.gz UFFSQMCNOOECSF-QRQLOZEOSA-N 2 2 344.503 3.010 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001752567588 1440195616 /nfs/dbraw/zinc/19/56/16/1440195616.db2.gz UFFSQMCNOOECSF-QRQLOZEOSA-N 2 2 344.503 3.010 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CCCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001754370751 1440592534 /nfs/dbraw/zinc/59/25/34/1440592534.db2.gz LNHHIPZNRAIVBX-OAHLLOKOSA-N 2 2 328.460 3.049 20 30 EGEDLP C=CCC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1[nH]c[nH+]c1C ZINC001754547103 1440628115 /nfs/dbraw/zinc/62/81/15/1440628115.db2.gz OXXLOIRCYVLJCR-MIGBEJBISA-N 2 2 344.503 3.117 20 30 EGEDLP C=CCC[NH2+]C[C@@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)C1CCCC1 ZINC001754648563 1440651195 /nfs/dbraw/zinc/65/11/95/1440651195.db2.gz ZYCYXBPDQWPIQF-GOSISDBHSA-N 2 2 340.471 3.097 20 30 EGEDLP C=CCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001754867029 1440703477 /nfs/dbraw/zinc/70/34/77/1440703477.db2.gz ATWWMUWQCHWHPG-RBUKOAKNSA-N 2 2 344.503 3.072 20 30 EGEDLP C=CCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001754867029 1440703478 /nfs/dbraw/zinc/70/34/78/1440703478.db2.gz ATWWMUWQCHWHPG-RBUKOAKNSA-N 2 2 344.503 3.072 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC001755460337 1440857249 /nfs/dbraw/zinc/85/72/49/1440857249.db2.gz GVDRHNDWWSVKHJ-BGYRXZFFSA-N 2 2 346.519 3.093 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@]2(C)CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC001755460337 1440857250 /nfs/dbraw/zinc/85/72/50/1440857250.db2.gz GVDRHNDWWSVKHJ-BGYRXZFFSA-N 2 2 346.519 3.093 20 30 EGEDLP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C(C)(C)C ZINC001755826174 1440927397 /nfs/dbraw/zinc/92/73/97/1440927397.db2.gz MGZIMUUDTLDZQX-SJORKVTESA-N 2 2 334.508 3.167 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc(Br)ncc2F)CC1 ZINC000273838965 201263699 /nfs/dbraw/zinc/26/36/99/201263699.db2.gz HMFPZIVFEMFODH-LLVKDONJSA-N 2 2 342.256 3.284 20 30 EGEDLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000131092776 205272455 /nfs/dbraw/zinc/27/24/55/205272455.db2.gz GYTARAPYTWSTEZ-CQSZACIVSA-N 2 2 326.469 3.330 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@@H]3OC(F)F)CC2)cc1 ZINC000337528600 154399055 /nfs/dbraw/zinc/39/90/55/154399055.db2.gz BYYLPWZPSPBXBA-ROUUACIJSA-N 2 2 349.425 3.273 20 30 EGEDLP Cc1cccn2c(CN(CC[NH+](C)C)Cc3ccc(C#N)cc3)c[nH+]c12 ZINC000348933644 156293116 /nfs/dbraw/zinc/29/31/16/156293116.db2.gz JJZUPTPEPPWXNL-UHFFFAOYSA-N 2 2 347.466 3.078 20 30 EGEDLP CC[C@@H](C)[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)OC ZINC000294819931 266366048 /nfs/dbraw/zinc/36/60/48/266366048.db2.gz OTYYIRFBNKJIEH-OXQOHEQNSA-N 2 2 329.488 3.173 20 30 EGEDLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)s1 ZINC000418141131 267284442 /nfs/dbraw/zinc/28/44/42/267284442.db2.gz GIJMAWCHEGDHEB-QGZVFWFLSA-N 2 2 326.469 3.244 20 30 EGEDLP C=CCc1cc(C[NH+]2[C@@H]3CC[C@H]2C[N@H+](CC)CC3)cc(OC)c1O ZINC000091892485 454486192 /nfs/dbraw/zinc/48/61/92/454486192.db2.gz PAKZYJWWDAEAAE-MSOLQXFVSA-N 2 2 330.472 3.188 20 30 EGEDLP C=CCc1cc(C[NH+]2[C@@H]3CC[C@H]2C[N@@H+](CC)CC3)cc(OC)c1O ZINC000091892485 454486194 /nfs/dbraw/zinc/48/61/94/454486194.db2.gz PAKZYJWWDAEAAE-MSOLQXFVSA-N 2 2 330.472 3.188 20 30 EGEDLP C=CCc1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[NH+](CC)CC3)cc(OC)c1O ZINC000091892485 454486196 /nfs/dbraw/zinc/48/61/96/454486196.db2.gz PAKZYJWWDAEAAE-MSOLQXFVSA-N 2 2 330.472 3.188 20 30 EGEDLP C=CCc1cc(C[N@H+]2[C@@H]3CC[C@H]2C[NH+](CC)CC3)cc(OC)c1O ZINC000091892485 454486199 /nfs/dbraw/zinc/48/61/99/454486199.db2.gz PAKZYJWWDAEAAE-MSOLQXFVSA-N 2 2 330.472 3.188 20 30 EGEDLP C=CCc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc(OC)c1O ZINC000091960229 454495184 /nfs/dbraw/zinc/49/51/84/454495184.db2.gz ZOORBVLCWJIVIH-QAPCUYQASA-N 2 2 341.455 3.409 20 30 EGEDLP C=CCc1cc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc(OC)c1O ZINC000091960229 454495187 /nfs/dbraw/zinc/49/51/87/454495187.db2.gz ZOORBVLCWJIVIH-QAPCUYQASA-N 2 2 341.455 3.409 20 30 EGEDLP C#CC[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@H]1CCc2ccccc21 ZINC000177256583 454843109 /nfs/dbraw/zinc/84/31/09/454843109.db2.gz CPZBXLACOOFRHY-FQEVSTJZSA-N 2 2 328.419 3.390 20 30 EGEDLP C#CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@H]1CCc2ccccc21 ZINC000177256583 454843112 /nfs/dbraw/zinc/84/31/12/454843112.db2.gz CPZBXLACOOFRHY-FQEVSTJZSA-N 2 2 328.419 3.390 20 30 EGEDLP COc1cccc(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000181514944 455347858 /nfs/dbraw/zinc/34/78/58/455347858.db2.gz JNGAAHPJEUPVPH-UHFFFAOYSA-N 2 2 349.478 3.364 20 30 EGEDLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3ncccc3C#N)cc2)CC1 ZINC000301556615 456146730 /nfs/dbraw/zinc/14/67/30/456146730.db2.gz SLXODCWCWHYVMA-UHFFFAOYSA-N 2 2 335.455 3.475 20 30 EGEDLP N#Cc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(F)c1 ZINC000348312100 456615270 /nfs/dbraw/zinc/61/52/70/456615270.db2.gz FDWSWZQEKYDBKZ-BGYRXZFFSA-N 2 2 335.426 3.261 20 30 EGEDLP N#Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(F)c1 ZINC000348312100 456615274 /nfs/dbraw/zinc/61/52/74/456615274.db2.gz FDWSWZQEKYDBKZ-BGYRXZFFSA-N 2 2 335.426 3.261 20 30 EGEDLP N#Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c(F)c1 ZINC000348312100 456615280 /nfs/dbraw/zinc/61/52/80/456615280.db2.gz FDWSWZQEKYDBKZ-BGYRXZFFSA-N 2 2 335.426 3.261 20 30 EGEDLP N#Cc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c(F)c1 ZINC000348312100 456615286 /nfs/dbraw/zinc/61/52/86/456615286.db2.gz FDWSWZQEKYDBKZ-BGYRXZFFSA-N 2 2 335.426 3.261 20 30 EGEDLP COc1ccc(C#N)cc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348317604 456619103 /nfs/dbraw/zinc/61/91/03/456619103.db2.gz AQWLIJWOCQLMLQ-OYRHEFFESA-N 2 2 347.462 3.131 20 30 EGEDLP COc1ccc(C#N)cc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348317604 456619108 /nfs/dbraw/zinc/61/91/08/456619108.db2.gz AQWLIJWOCQLMLQ-OYRHEFFESA-N 2 2 347.462 3.131 20 30 EGEDLP COc1ccc(C#N)cc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000348317604 456619114 /nfs/dbraw/zinc/61/91/14/456619114.db2.gz AQWLIJWOCQLMLQ-OYRHEFFESA-N 2 2 347.462 3.131 20 30 EGEDLP COc1ccc(C#N)cc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000348317604 456619121 /nfs/dbraw/zinc/61/91/21/456619121.db2.gz AQWLIJWOCQLMLQ-OYRHEFFESA-N 2 2 347.462 3.131 20 30 EGEDLP N#Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1F ZINC000348319250 456620016 /nfs/dbraw/zinc/62/00/16/456620016.db2.gz LOPFWMUHSICWIO-WOJBJXKFSA-N 2 2 335.426 3.261 20 30 EGEDLP CC(C)(C)CC[C@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000361431730 457730020 /nfs/dbraw/zinc/73/00/20/457730020.db2.gz FREMRVCZLFNHJJ-HXUWFJFHSA-N 2 2 343.515 3.299 20 30 EGEDLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000361457018 457737929 /nfs/dbraw/zinc/73/79/29/457737929.db2.gz PLKPBQJRVUQJLD-ZDUSSCGKSA-N 2 2 325.378 3.311 20 30 EGEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000358136806 457808756 /nfs/dbraw/zinc/80/87/56/457808756.db2.gz GBBXEZVIQXUMFI-DNEKHIABSA-N 2 2 339.483 3.321 20 30 EGEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000358136806 457808767 /nfs/dbraw/zinc/80/87/67/457808767.db2.gz GBBXEZVIQXUMFI-DNEKHIABSA-N 2 2 339.483 3.321 20 30 EGEDLP COc1cc[nH+]c(N2CC[NH+](CCC3(C#N)CCCCC3)CC2)c1 ZINC000411239240 457839016 /nfs/dbraw/zinc/83/90/16/457839016.db2.gz QMZURBNZZYRYGX-UHFFFAOYSA-N 2 2 328.460 3.076 20 30 EGEDLP C=CCOc1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1OC ZINC000415053148 458327584 /nfs/dbraw/zinc/32/75/84/458327584.db2.gz OFPAXZGNNPFHPW-RBUKOAKNSA-N 2 2 338.451 3.105 20 30 EGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)C(C)C ZINC000554050683 458897256 /nfs/dbraw/zinc/89/72/56/458897256.db2.gz SLRJQZZNVVDQTN-BZUAXINKSA-N 2 2 334.426 3.385 20 30 EGEDLP N#CCCCOc1cccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000594520921 459078418 /nfs/dbraw/zinc/07/84/18/459078418.db2.gz RORNDKGVBIMNMH-UXHICEINSA-N 2 2 327.472 3.476 20 30 EGEDLP N#CCCCOc1cccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000594520921 459078422 /nfs/dbraw/zinc/07/84/22/459078422.db2.gz RORNDKGVBIMNMH-UXHICEINSA-N 2 2 327.472 3.476 20 30 EGEDLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000568414479 459286184 /nfs/dbraw/zinc/28/61/84/459286184.db2.gz MAURTDWWMDIJSV-GOSISDBHSA-N 2 2 340.515 3.237 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ncc(Br)cc2F)CC1 ZINC000527655960 459686588 /nfs/dbraw/zinc/68/65/88/459686588.db2.gz BZRVVFNUGGYIHH-UHFFFAOYSA-N 2 2 342.256 3.113 20 30 EGEDLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3ccc(C#N)cn3)C2)s1 ZINC000574168997 459788109 /nfs/dbraw/zinc/78/81/09/459788109.db2.gz VNEWGAAFVNKHSO-QGZVFWFLSA-N 2 2 340.496 3.277 20 30 EGEDLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3ccc(C#N)cn3)C2)s1 ZINC000574168997 459788114 /nfs/dbraw/zinc/78/81/14/459788114.db2.gz VNEWGAAFVNKHSO-QGZVFWFLSA-N 2 2 340.496 3.277 20 30 EGEDLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3ccc(C#N)cn3)C2)s1 ZINC000574168997 459788117 /nfs/dbraw/zinc/78/81/17/459788117.db2.gz VNEWGAAFVNKHSO-QGZVFWFLSA-N 2 2 340.496 3.277 20 30 EGEDLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3ccc(C#N)cn3)C2)s1 ZINC000574168997 459788122 /nfs/dbraw/zinc/78/81/22/459788122.db2.gz VNEWGAAFVNKHSO-QGZVFWFLSA-N 2 2 340.496 3.277 20 30 EGEDLP CC1CC[NH+]([C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)c2ccccc2)CC1 ZINC000598701332 459999265 /nfs/dbraw/zinc/99/92/65/459999265.db2.gz UISUOXWMBXOKQZ-VQTJNVASSA-N 2 2 343.515 3.350 20 30 EGEDLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C[C@H](C)O1 ZINC000611390086 460352840 /nfs/dbraw/zinc/35/28/40/460352840.db2.gz BBWCRTMNJVTJKT-GQIGUUNPSA-N 2 2 327.472 3.025 20 30 EGEDLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C[C@H](C)O1 ZINC000611390086 460352841 /nfs/dbraw/zinc/35/28/41/460352841.db2.gz BBWCRTMNJVTJKT-GQIGUUNPSA-N 2 2 327.472 3.025 20 30 EGEDLP C#CCOc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000733323983 575327479 /nfs/dbraw/zinc/32/74/79/575327479.db2.gz CAPILAOBILZKIZ-UHFFFAOYSA-N 2 2 331.419 3.233 20 30 EGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)c1cc(Br)ccc1O ZINC000328050268 1297253132 /nfs/dbraw/zinc/25/31/32/1297253132.db2.gz ZEKXFBBHYSZNRE-HNNXBMFYSA-N 2 2 339.277 3.151 20 30 EGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)c1cc(Br)ccc1O ZINC000328050268 1297253137 /nfs/dbraw/zinc/25/31/37/1297253137.db2.gz ZEKXFBBHYSZNRE-HNNXBMFYSA-N 2 2 339.277 3.151 20 30 EGEDLP N#Cc1ccc(Br)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000921550499 1322348977 /nfs/dbraw/zinc/34/89/77/1322348977.db2.gz RSRPAZWOEPRJKR-LSDHHAIUSA-N 2 2 334.261 3.037 20 30 EGEDLP C#CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000246994047 1296378745 /nfs/dbraw/zinc/37/87/45/1296378745.db2.gz LNQTXCDSUWLJMN-GHTZIAJQSA-N 2 2 349.478 3.094 20 30 EGEDLP C#CCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000246994047 1296378760 /nfs/dbraw/zinc/37/87/60/1296378760.db2.gz LNQTXCDSUWLJMN-GHTZIAJQSA-N 2 2 349.478 3.094 20 30 EGEDLP [NH2+]=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)Nc1ccccc1 ZINC000263270186 1296673988 /nfs/dbraw/zinc/67/39/88/1296673988.db2.gz OSFLVXAPFRKHRV-GOSISDBHSA-N 2 2 340.496 3.031 20 30 EGEDLP [NH2+]=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)Nc1ccccc1 ZINC000263270186 1296674004 /nfs/dbraw/zinc/67/40/04/1296674004.db2.gz OSFLVXAPFRKHRV-GOSISDBHSA-N 2 2 340.496 3.031 20 30 EGEDLP Cc1ccc(NC(=[NH2+])NCC2([NH+]3CCOCC3)CCCCC2)cc1C ZINC000303769793 1296850039 /nfs/dbraw/zinc/85/00/39/1296850039.db2.gz BDRZXGYLRPNJHH-UHFFFAOYSA-N 2 2 344.503 3.065 20 30 EGEDLP CN(C)C(NC[C@@H](c1ccc(F)cc1)[NH+](C)C)=[NH+]Cc1ccccc1 ZINC000303871159 1296863368 /nfs/dbraw/zinc/86/33/68/1296863368.db2.gz BNECEKREGGZLHY-IBGZPJMESA-N 2 2 342.462 3.136 20 30 EGEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])NCCc1ccccc1)c1ccsc1 ZINC000303902795 1296877890 /nfs/dbraw/zinc/87/78/90/1296877890.db2.gz UCJSGBPXMHJCMK-GOSISDBHSA-N 2 2 344.528 3.278 20 30 EGEDLP C[C@H]1CC[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000759160350 1301030307 /nfs/dbraw/zinc/03/03/07/1301030307.db2.gz TYSYQEDWBZDULN-JXFKEZNVSA-N 2 2 346.438 3.159 20 30 EGEDLP C[C@H]1CC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000759160350 1301030322 /nfs/dbraw/zinc/03/03/22/1301030322.db2.gz TYSYQEDWBZDULN-JXFKEZNVSA-N 2 2 346.438 3.159 20 30 EGEDLP COc1ccccc1CCCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000779954945 1304625678 /nfs/dbraw/zinc/62/56/78/1304625678.db2.gz SOTVUDMOCYJNMV-UHFFFAOYSA-N 2 2 341.455 3.027 20 30 EGEDLP N#Cc1ccc(Br)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000921550499 1322348970 /nfs/dbraw/zinc/34/89/70/1322348970.db2.gz RSRPAZWOEPRJKR-LSDHHAIUSA-N 2 2 334.261 3.037 20 30 EGEDLP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001024577847 1323514568 /nfs/dbraw/zinc/51/45/68/1323514568.db2.gz HXUWEBNHCGJHGY-IBGZPJMESA-N 2 2 338.455 3.033 20 30 EGEDLP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001024577847 1323514575 /nfs/dbraw/zinc/51/45/75/1323514575.db2.gz HXUWEBNHCGJHGY-IBGZPJMESA-N 2 2 338.455 3.033 20 30 EGEDLP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001025243696 1324040940 /nfs/dbraw/zinc/04/09/40/1324040940.db2.gz DMSOPZWIFBBDNT-OALUTQOASA-N 2 2 338.455 3.208 20 30 EGEDLP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001025243696 1324040947 /nfs/dbraw/zinc/04/09/47/1324040947.db2.gz DMSOPZWIFBBDNT-OALUTQOASA-N 2 2 338.455 3.208 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025481285 1324328394 /nfs/dbraw/zinc/32/83/94/1324328394.db2.gz GGBLCFXOFKSTNQ-SJORKVTESA-N 2 2 340.471 3.131 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025481285 1324328399 /nfs/dbraw/zinc/32/83/99/1324328399.db2.gz GGBLCFXOFKSTNQ-SJORKVTESA-N 2 2 340.471 3.131 20 30 EGEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000947878189 1333288496 /nfs/dbraw/zinc/28/84/96/1333288496.db2.gz LVCCWPNXEVRCLI-FUHWJXTLSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000947878189 1333288498 /nfs/dbraw/zinc/28/84/98/1333288498.db2.gz LVCCWPNXEVRCLI-FUHWJXTLSA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001009076449 1336963526 /nfs/dbraw/zinc/96/35/26/1336963526.db2.gz UIKOMWCRJAFZAU-GOSISDBHSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001009076449 1336963529 /nfs/dbraw/zinc/96/35/29/1336963529.db2.gz UIKOMWCRJAFZAU-GOSISDBHSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1CC ZINC001037855054 1344140806 /nfs/dbraw/zinc/14/08/06/1344140806.db2.gz NBOUPOGHUBXYMT-WMZOPIPTSA-N 2 2 340.471 3.049 20 30 EGEDLP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001039282673 1344995876 /nfs/dbraw/zinc/99/58/76/1344995876.db2.gz XFZSOQWQAXUNLO-AYHJJNSGSA-N 2 2 344.503 3.004 20 30 EGEDLP C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001101579663 1364632817 /nfs/dbraw/zinc/63/28/17/1364632817.db2.gz QQGINZKQKZAZRL-QGZVFWFLSA-N 2 2 346.519 3.265 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CC(C)(C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001101584212 1364636042 /nfs/dbraw/zinc/63/60/42/1364636042.db2.gz HVONGEOLQNVWGR-INIZCTEOSA-N 2 2 346.519 3.161 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC001102613550 1365137655 /nfs/dbraw/zinc/13/76/55/1365137655.db2.gz JIRZWNRFFJLYRZ-RTBURBONSA-N 2 2 346.519 3.094 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC001102613550 1365137657 /nfs/dbraw/zinc/13/76/57/1365137657.db2.gz JIRZWNRFFJLYRZ-RTBURBONSA-N 2 2 346.519 3.094 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001103069072 1365363597 /nfs/dbraw/zinc/36/35/97/1365363597.db2.gz RXNAPOXYOARIED-QZTJIDSGSA-N 2 2 348.535 3.387 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001103069072 1365363601 /nfs/dbraw/zinc/36/36/01/1365363601.db2.gz RXNAPOXYOARIED-QZTJIDSGSA-N 2 2 348.535 3.387 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001103069072 1365363605 /nfs/dbraw/zinc/36/36/05/1365363605.db2.gz RXNAPOXYOARIED-QZTJIDSGSA-N 2 2 348.535 3.387 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001103069072 1365363609 /nfs/dbraw/zinc/36/36/09/1365363609.db2.gz RXNAPOXYOARIED-QZTJIDSGSA-N 2 2 348.535 3.387 20 30 EGEDLP CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001104955024 1366240851 /nfs/dbraw/zinc/24/08/51/1366240851.db2.gz FLZJESRJQPIFMC-SJLPKXTDSA-N 2 2 348.535 3.305 20 30 EGEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001106747968 1366787208 /nfs/dbraw/zinc/78/72/08/1366787208.db2.gz BTUOLNWBSPCXTO-RCCFBDPRSA-N 2 2 346.519 3.019 20 30 EGEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106747968 1366787211 /nfs/dbraw/zinc/78/72/11/1366787211.db2.gz BTUOLNWBSPCXTO-RCCFBDPRSA-N 2 2 346.519 3.019 20 30 EGEDLP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001106748191 1366787755 /nfs/dbraw/zinc/78/77/55/1366787755.db2.gz NEQJHESGRQWSKA-RCCFBDPRSA-N 2 2 348.535 3.243 20 30 EGEDLP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106748191 1366787756 /nfs/dbraw/zinc/78/77/56/1366787756.db2.gz NEQJHESGRQWSKA-RCCFBDPRSA-N 2 2 348.535 3.243 20 30 EGEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001109433545 1367118517 /nfs/dbraw/zinc/11/85/17/1367118517.db2.gz SGDWEHXGEAGLAN-XWSJACJDSA-N 2 2 344.503 3.158 20 30 EGEDLP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001109433545 1367118520 /nfs/dbraw/zinc/11/85/20/1367118520.db2.gz SGDWEHXGEAGLAN-XWSJACJDSA-N 2 2 344.503 3.158 20 30 EGEDLP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192294046 1367741639 /nfs/dbraw/zinc/74/16/39/1367741639.db2.gz LEPLAUGKLKOQJI-IAGOWNOFSA-N 2 2 346.519 3.333 20 30 EGEDLP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192294046 1367741645 /nfs/dbraw/zinc/74/16/45/1367741645.db2.gz LEPLAUGKLKOQJI-IAGOWNOFSA-N 2 2 346.519 3.333 20 30 EGEDLP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001201182580 1369491243 /nfs/dbraw/zinc/49/12/43/1369491243.db2.gz IYTYGPJKXXGNGX-SFHVURJKSA-N 2 2 332.492 3.017 20 30 EGEDLP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C12CCC2 ZINC001203077499 1369974944 /nfs/dbraw/zinc/97/49/44/1369974944.db2.gz FCDCMUWLHBSAEP-QZTJIDSGSA-N 2 2 338.455 3.160 20 30 EGEDLP C=CCOc1ccc(C[NH+]2CCC([NH+]3CCC(OC)CC3)CC2)cc1 ZINC001204302082 1370437308 /nfs/dbraw/zinc/43/73/08/1370437308.db2.gz ARVBVMSQDVIWQH-UHFFFAOYSA-N 2 2 344.499 3.327 20 30 EGEDLP C=CC[NH2+]C1(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CCCCC1 ZINC001115583499 1370585638 /nfs/dbraw/zinc/58/56/38/1370585638.db2.gz HTWJTODJOWGLBF-KRWDZBQOSA-N 2 2 332.492 3.065 20 30 EGEDLP N#Cc1ccc(Oc2ccc(C[N@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)cn2)cc1 ZINC001206172554 1370979748 /nfs/dbraw/zinc/97/97/48/1370979748.db2.gz AQCXVPGVDMVOKP-ROUUACIJSA-N 2 2 340.402 3.007 20 30 EGEDLP N#Cc1ccc(Oc2ccc(C[N@@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)cn2)cc1 ZINC001206172554 1370979750 /nfs/dbraw/zinc/97/97/50/1370979750.db2.gz AQCXVPGVDMVOKP-ROUUACIJSA-N 2 2 340.402 3.007 20 30 EGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3cccn3C3CC3)CC2)c1 ZINC001118314400 1371162570 /nfs/dbraw/zinc/16/25/70/1371162570.db2.gz YHNJNTSLNJRABQ-UHFFFAOYSA-N 2 2 334.467 3.449 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001206973605 1371253463 /nfs/dbraw/zinc/25/34/63/1371253463.db2.gz PDRRFJZFEIPFJR-IIDMSEBBSA-N 2 2 340.471 3.048 20 30 EGEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001206973605 1371253467 /nfs/dbraw/zinc/25/34/67/1371253467.db2.gz PDRRFJZFEIPFJR-IIDMSEBBSA-N 2 2 340.471 3.048 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001211450049 1372561769 /nfs/dbraw/zinc/56/17/69/1372561769.db2.gz HVDDFKZQZCSWIX-QZTJIDSGSA-N 2 2 334.508 3.070 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001211450049 1372561772 /nfs/dbraw/zinc/56/17/72/1372561772.db2.gz HVDDFKZQZCSWIX-QZTJIDSGSA-N 2 2 334.508 3.070 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001188350155 1388295282 /nfs/dbraw/zinc/29/52/82/1388295282.db2.gz YODAXSZMFAOOBE-ZRGWGRIASA-N 2 2 338.455 3.064 20 30 EGEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001188350155 1388295285 /nfs/dbraw/zinc/29/52/85/1388295285.db2.gz YODAXSZMFAOOBE-ZRGWGRIASA-N 2 2 338.455 3.064 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132025716 1375105490 /nfs/dbraw/zinc/10/54/90/1375105490.db2.gz UFZOFVGPZLYJST-SJORKVTESA-N 2 2 332.492 3.058 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132025716 1375105492 /nfs/dbraw/zinc/10/54/92/1375105492.db2.gz UFZOFVGPZLYJST-SJORKVTESA-N 2 2 332.492 3.058 20 30 EGEDLP C=CCCC[N@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001132131700 1375161985 /nfs/dbraw/zinc/16/19/85/1375161985.db2.gz IMLCSBOORVTGTG-GOEBONIOSA-N 2 2 326.444 3.112 20 30 EGEDLP C=CCCC[N@@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001132131700 1375161988 /nfs/dbraw/zinc/16/19/88/1375161988.db2.gz IMLCSBOORVTGTG-GOEBONIOSA-N 2 2 326.444 3.112 20 30 EGEDLP CCCCCCC[NH+]1CCC(NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001229393578 1375826769 /nfs/dbraw/zinc/82/67/69/1375826769.db2.gz UJAFVGISYDSKSK-KRWDZBQOSA-N 2 2 334.508 3.385 20 30 EGEDLP CCCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001134732978 1376684108 /nfs/dbraw/zinc/68/41/08/1376684108.db2.gz RQFFIJARJAJPPM-IRXDYDNUSA-N 2 2 349.519 3.476 20 30 EGEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@H]21 ZINC001139405850 1377880039 /nfs/dbraw/zinc/88/00/39/1377880039.db2.gz CYBSINFVTMQJQQ-TZIWHRDSSA-N 2 2 332.451 3.146 20 30 EGEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@H]21 ZINC001139405850 1377880042 /nfs/dbraw/zinc/88/00/42/1377880042.db2.gz CYBSINFVTMQJQQ-TZIWHRDSSA-N 2 2 332.451 3.146 20 30 EGEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@H]21 ZINC001139405850 1377880045 /nfs/dbraw/zinc/88/00/45/1377880045.db2.gz CYBSINFVTMQJQQ-TZIWHRDSSA-N 2 2 332.451 3.146 20 30 EGEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@H]21 ZINC001139405850 1377880050 /nfs/dbraw/zinc/88/00/50/1377880050.db2.gz CYBSINFVTMQJQQ-TZIWHRDSSA-N 2 2 332.451 3.146 20 30 EGEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@H]21 ZINC001139405849 1377880258 /nfs/dbraw/zinc/88/02/58/1377880258.db2.gz CYBSINFVTMQJQQ-PZJWPPBQSA-N 2 2 332.451 3.146 20 30 EGEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@H]21 ZINC001139405849 1377880259 /nfs/dbraw/zinc/88/02/59/1377880259.db2.gz CYBSINFVTMQJQQ-PZJWPPBQSA-N 2 2 332.451 3.146 20 30 EGEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@H]21 ZINC001139405849 1377880260 /nfs/dbraw/zinc/88/02/60/1377880260.db2.gz CYBSINFVTMQJQQ-PZJWPPBQSA-N 2 2 332.451 3.146 20 30 EGEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@H]21 ZINC001139405849 1377880261 /nfs/dbraw/zinc/88/02/61/1377880261.db2.gz CYBSINFVTMQJQQ-PZJWPPBQSA-N 2 2 332.451 3.146 20 30 EGEDLP C=CCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146714205 1378905962 /nfs/dbraw/zinc/90/59/62/1378905962.db2.gz OLRLPNLGAKACOM-MSOLQXFVSA-N 2 2 334.508 3.283 20 30 EGEDLP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001154493147 1380289678 /nfs/dbraw/zinc/28/96/78/1380289678.db2.gz XQCAHFYZCASVMT-QGZVFWFLSA-N 2 2 340.471 3.279 20 30 EGEDLP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001154493147 1380289681 /nfs/dbraw/zinc/28/96/81/1380289681.db2.gz XQCAHFYZCASVMT-QGZVFWFLSA-N 2 2 340.471 3.279 20 30 EGEDLP C=CCCC[NH2+]CC1(CCNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001164541211 1383197666 /nfs/dbraw/zinc/19/76/66/1383197666.db2.gz WSDZLCBKIDMHGH-UHFFFAOYSA-N 2 2 340.471 3.099 20 30 EGEDLP CCCCCCC[NH2+]CC1(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001166481674 1383427686 /nfs/dbraw/zinc/42/76/86/1383427686.db2.gz PEOKFQZGCVEWQE-UHFFFAOYSA-N 2 2 334.508 3.120 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001167348327 1383606387 /nfs/dbraw/zinc/60/63/87/1383606387.db2.gz GVRCTSVYFNWZPJ-IAGOWNOFSA-N 2 2 332.492 3.065 20 30 EGEDLP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001170782778 1384384060 /nfs/dbraw/zinc/38/40/60/1384384060.db2.gz CHKMSDFVCPNOBY-HNNXBMFYSA-N 2 2 328.460 3.097 20 30 EGEDLP C=CCN1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171984558 1384704129 /nfs/dbraw/zinc/70/41/29/1384704129.db2.gz NBJMOKTYVYARSQ-FQEVSTJZSA-N 2 2 327.516 3.233 20 30 EGEDLP C=CCN1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171984558 1384704131 /nfs/dbraw/zinc/70/41/31/1384704131.db2.gz NBJMOKTYVYARSQ-FQEVSTJZSA-N 2 2 327.516 3.233 20 30 EGEDLP CO[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173331716 1384960369 /nfs/dbraw/zinc/96/03/69/1384960369.db2.gz FSDJIJAVHMDDGA-BOWFFMLLSA-N 2 2 341.499 3.338 20 30 EGEDLP CO[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173331716 1384960373 /nfs/dbraw/zinc/96/03/73/1384960373.db2.gz FSDJIJAVHMDDGA-BOWFFMLLSA-N 2 2 341.499 3.338 20 30 EGEDLP C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)CCn1cc[nH+]c1 ZINC001177378982 1385935626 /nfs/dbraw/zinc/93/56/26/1385935626.db2.gz QQFRXYDWGPZWOQ-UHFFFAOYSA-N 2 2 346.519 3.238 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001178863757 1386332123 /nfs/dbraw/zinc/33/21/23/1386332123.db2.gz AZNZSHHUOSVDNS-MSOLQXFVSA-N 2 2 346.519 3.066 20 30 EGEDLP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001481333841 1393165829 /nfs/dbraw/zinc/16/58/29/1393165829.db2.gz GWQPDWBUZHVGFV-ZDUSSCGKSA-N 2 2 346.862 3.146 20 30 EGEDLP C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001699870100 1413316395 /nfs/dbraw/zinc/31/63/95/1413316395.db2.gz WZJGFURSHBUKCN-GOSISDBHSA-N 2 2 346.862 3.147 20 30 EGEDLP C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001699870100 1413316396 /nfs/dbraw/zinc/31/63/96/1413316396.db2.gz WZJGFURSHBUKCN-GOSISDBHSA-N 2 2 346.862 3.147 20 30 EGEDLP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001715456921 1420137956 /nfs/dbraw/zinc/13/79/56/1420137956.db2.gz LSINXSNSFJFWMJ-ZIAGYGMSSA-N 2 2 346.862 3.146 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001752830876 1440225392 /nfs/dbraw/zinc/22/53/92/1440225392.db2.gz KKVNIAUECHXHOH-CVEARBPZSA-N 2 2 332.492 3.013 20 30 EGEDLP C=CCCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001752835809 1440227768 /nfs/dbraw/zinc/22/77/68/1440227768.db2.gz IAYAZRSWLNOSHO-DLBZAZTESA-N 2 2 340.471 3.131 20 30 EGEDLP C=CCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001752835809 1440227769 /nfs/dbraw/zinc/22/77/69/1440227769.db2.gz IAYAZRSWLNOSHO-DLBZAZTESA-N 2 2 340.471 3.131 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001753330440 1440368958 /nfs/dbraw/zinc/36/89/58/1440368958.db2.gz JHHQSECFCYVYIY-MSOLQXFVSA-N 2 2 346.519 3.110 20 30 EGEDLP C=CCC[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001753330440 1440368959 /nfs/dbraw/zinc/36/89/59/1440368959.db2.gz JHHQSECFCYVYIY-MSOLQXFVSA-N 2 2 346.519 3.110 20 30 EGEDLP C=CCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001753796702 1440489899 /nfs/dbraw/zinc/48/98/99/1440489899.db2.gz MWPOFVJDAWLJHP-MSOLQXFVSA-N 2 2 346.519 3.110 20 30 EGEDLP C=C(C)CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001754346561 1440589930 /nfs/dbraw/zinc/58/99/30/1440589930.db2.gz QVMNTVPSKGGSFD-IRXDYDNUSA-N 2 2 340.471 3.179 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000088716146 201369953 /nfs/dbraw/zinc/36/99/53/201369953.db2.gz CLARDIOPLNPVGE-NQIIRXRSSA-N 2 2 327.516 3.137 20 30 EGEDLP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000351591720 144285105 /nfs/dbraw/zinc/28/51/05/144285105.db2.gz GPOMTFHVHSYYIY-ZHRRBRCNSA-N 2 2 349.478 3.331 20 30 EGEDLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000351591720 144285107 /nfs/dbraw/zinc/28/51/07/144285107.db2.gz GPOMTFHVHSYYIY-ZHRRBRCNSA-N 2 2 349.478 3.331 20 30 EGEDLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444771508 267334350 /nfs/dbraw/zinc/33/43/50/267334350.db2.gz PKUNXQKYQYJISB-KRWDZBQOSA-N 2 2 346.906 3.208 20 30 EGEDLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444771508 267334353 /nfs/dbraw/zinc/33/43/53/267334353.db2.gz PKUNXQKYQYJISB-KRWDZBQOSA-N 2 2 346.906 3.208 20 30 EGEDLP C#CCOc1ccccc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000131112761 454236764 /nfs/dbraw/zinc/23/67/64/454236764.db2.gz ZXRDYPNZZZETIJ-SFHVURJKSA-N 2 2 349.478 3.409 20 30 EGEDLP C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000184729949 455438251 /nfs/dbraw/zinc/43/82/51/455438251.db2.gz YHKQNHCUNXMEMP-FUHWJXTLSA-N 2 2 338.455 3.166 20 30 EGEDLP C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000184729949 455438255 /nfs/dbraw/zinc/43/82/55/455438255.db2.gz YHKQNHCUNXMEMP-FUHWJXTLSA-N 2 2 338.455 3.166 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCO[C@H](C4CC4)C3)CC2)cc1 ZINC000155116630 454964533 /nfs/dbraw/zinc/96/45/33/454964533.db2.gz PCQWJTDVCGUTFU-SFTDATJTSA-N 2 2 339.483 3.070 20 30 EGEDLP C[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)Cn1cc[nH+]c1 ZINC000172116641 455123786 /nfs/dbraw/zinc/12/37/86/455123786.db2.gz SLPVCTQWUQODTH-QGZVFWFLSA-N 2 2 348.454 3.086 20 30 EGEDLP CCCCOCCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181387063 455326669 /nfs/dbraw/zinc/32/66/69/455326669.db2.gz SYCBAKCEEDMSII-UHFFFAOYSA-N 2 2 329.488 3.319 20 30 EGEDLP Cc1cccn2cc(COc3ccc(C[NH2+]C[C@H](C)C#N)cc3)[nH+]c12 ZINC000183822609 455330403 /nfs/dbraw/zinc/33/04/03/455330403.db2.gz AVSSINLXDVLRGN-OAHLLOKOSA-N 2 2 334.423 3.471 20 30 EGEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000247572120 455626721 /nfs/dbraw/zinc/62/67/21/455626721.db2.gz LLPRHIMDKIQQNC-KXBFYZLASA-N 2 2 340.471 3.253 20 30 EGEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000247572120 455626729 /nfs/dbraw/zinc/62/67/29/455626729.db2.gz LLPRHIMDKIQQNC-KXBFYZLASA-N 2 2 340.471 3.253 20 30 EGEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC#Cc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000249364309 455750287 /nfs/dbraw/zinc/75/02/87/455750287.db2.gz OESSCZORKYOQQA-PXNSSMCTSA-N 2 2 348.918 3.418 20 30 EGEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC#Cc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000249364309 455750293 /nfs/dbraw/zinc/75/02/93/455750293.db2.gz OESSCZORKYOQQA-PXNSSMCTSA-N 2 2 348.918 3.418 20 30 EGEDLP Cc1ccccc1[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271807990 455768450 /nfs/dbraw/zinc/76/84/50/455768450.db2.gz AFMDZBFLGAIFHL-JOCHJYFZSA-N 2 2 349.478 3.154 20 30 EGEDLP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(C#N)cc1 ZINC000278281615 455805470 /nfs/dbraw/zinc/80/54/70/455805470.db2.gz QCRMQZYSWMSVIX-FGZHOGPDSA-N 2 2 349.478 3.018 20 30 EGEDLP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(C#N)cc1 ZINC000278281615 455805473 /nfs/dbraw/zinc/80/54/73/455805473.db2.gz QCRMQZYSWMSVIX-FGZHOGPDSA-N 2 2 349.478 3.018 20 30 EGEDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000289460199 456126276 /nfs/dbraw/zinc/12/62/76/456126276.db2.gz VVUORUIHLLEFFQ-UHFFFAOYSA-N 2 2 337.423 3.336 20 30 EGEDLP C[C@H]1C[C@@H](CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000273153591 456193515 /nfs/dbraw/zinc/19/35/15/456193515.db2.gz IKZFBHQDYUNALF-ROUUACIJSA-N 2 2 341.499 3.317 20 30 EGEDLP N#CC1(CCC[NH+]2CCC(CCCn3cc[nH+]c3)CC2)CCOCC1 ZINC000337213741 456338576 /nfs/dbraw/zinc/33/85/76/456338576.db2.gz WQGQKEFYJYMRGO-UHFFFAOYSA-N 2 2 344.503 3.476 20 30 EGEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000276695701 456554672 /nfs/dbraw/zinc/55/46/72/456554672.db2.gz ADMMSXIMJKWJOA-KRWDZBQOSA-N 2 2 333.439 3.220 20 30 EGEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000276695701 456554678 /nfs/dbraw/zinc/55/46/78/456554678.db2.gz ADMMSXIMJKWJOA-KRWDZBQOSA-N 2 2 333.439 3.220 20 30 EGEDLP C(#Cc1ccccc1)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000311201678 456587414 /nfs/dbraw/zinc/58/74/14/456587414.db2.gz HZDATQKBSJARRB-PKTZIBPZSA-N 2 2 330.475 3.492 20 30 EGEDLP C(#Cc1ccccc1)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000311201678 456587419 /nfs/dbraw/zinc/58/74/19/456587419.db2.gz HZDATQKBSJARRB-PKTZIBPZSA-N 2 2 330.475 3.492 20 30 EGEDLP C(#Cc1ccccc1)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000311201678 456587424 /nfs/dbraw/zinc/58/74/24/456587424.db2.gz HZDATQKBSJARRB-PKTZIBPZSA-N 2 2 330.475 3.492 20 30 EGEDLP C(#Cc1ccccc1)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000311201678 456587428 /nfs/dbraw/zinc/58/74/28/456587428.db2.gz HZDATQKBSJARRB-PKTZIBPZSA-N 2 2 330.475 3.492 20 30 EGEDLP CC(C)(C)C[N@@H+](CCC#N)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000352026370 457334792 /nfs/dbraw/zinc/33/47/92/457334792.db2.gz MNNFETFBWSQXBL-UHFFFAOYSA-N 2 2 342.531 3.460 20 30 EGEDLP CC(C)(C)C[N@H+](CCC#N)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000352026370 457334796 /nfs/dbraw/zinc/33/47/96/457334796.db2.gz MNNFETFBWSQXBL-UHFFFAOYSA-N 2 2 342.531 3.460 20 30 EGEDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000361851942 457908515 /nfs/dbraw/zinc/90/85/15/457908515.db2.gz ZZXNDWIIXRRRCP-YWZLYKJASA-N 2 2 338.430 3.093 20 30 EGEDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000361851942 457908521 /nfs/dbraw/zinc/90/85/21/457908521.db2.gz ZZXNDWIIXRRRCP-YWZLYKJASA-N 2 2 338.430 3.093 20 30 EGEDLP C=CCOc1ccc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1OC ZINC000372947422 458356382 /nfs/dbraw/zinc/35/63/82/458356382.db2.gz MAWPOPUPLFCLMB-KRWDZBQOSA-N 2 2 341.455 3.432 20 30 EGEDLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@@H](C#N)CCC#N)C2)s1 ZINC000578992297 459241353 /nfs/dbraw/zinc/24/13/53/459241353.db2.gz OGSKBKLTXQVLON-SJORKVTESA-N 2 2 330.501 3.254 20 30 EGEDLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@@H](C#N)CCC#N)C2)s1 ZINC000578992297 459241356 /nfs/dbraw/zinc/24/13/56/459241356.db2.gz OGSKBKLTXQVLON-SJORKVTESA-N 2 2 330.501 3.254 20 30 EGEDLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@@H](C#N)CCC#N)C2)s1 ZINC000578992297 459241359 /nfs/dbraw/zinc/24/13/59/459241359.db2.gz OGSKBKLTXQVLON-SJORKVTESA-N 2 2 330.501 3.254 20 30 EGEDLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@@H](C#N)CCC#N)C2)s1 ZINC000578992297 459241363 /nfs/dbraw/zinc/24/13/63/459241363.db2.gz OGSKBKLTXQVLON-SJORKVTESA-N 2 2 330.501 3.254 20 30 EGEDLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C[C@H](C#N)CCC#N ZINC000559703649 459272819 /nfs/dbraw/zinc/27/28/19/459272819.db2.gz SRMXMQKZPJYVQZ-KRWDZBQOSA-N 2 2 336.439 3.445 20 30 EGEDLP Cc1cc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)ccc1C#N ZINC000488220627 459540606 /nfs/dbraw/zinc/54/06/06/459540606.db2.gz UJLLOLMQBVUDPH-UHFFFAOYSA-N 2 2 348.494 3.401 20 30 EGEDLP Cc1cc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)ccc1C#N ZINC000488220627 459540610 /nfs/dbraw/zinc/54/06/10/459540610.db2.gz UJLLOLMQBVUDPH-UHFFFAOYSA-N 2 2 348.494 3.401 20 30 EGEDLP COc1ccc([C@H]([NH2+]CCc2ccc(C#N)cc2)[C@H]2CCC[NH2+]2)cc1 ZINC000596652446 459715531 /nfs/dbraw/zinc/71/55/31/459715531.db2.gz UMAQSJPNHBUZSC-RTWAWAEBSA-N 2 2 335.451 3.192 20 30 EGEDLP COCc1ccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593692355 459953255 /nfs/dbraw/zinc/95/32/55/459953255.db2.gz DBWRJFKOBWLRTQ-UHFFFAOYSA-N 2 2 349.478 3.459 20 30 EGEDLP CC(C)n1nccc1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593693439 459954534 /nfs/dbraw/zinc/95/45/34/459954534.db2.gz ZMLNKBCQKRKOTN-UHFFFAOYSA-N 2 2 337.471 3.090 20 30 EGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)c1cccc(CO)c1 ZINC000593723508 459964047 /nfs/dbraw/zinc/96/40/47/459964047.db2.gz WTKMPUFDVIAONY-QGZVFWFLSA-N 2 2 349.478 3.366 20 30 EGEDLP Cc1ccc([C@@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)[NH+](C)C)cc1 ZINC000602524610 459984068 /nfs/dbraw/zinc/98/40/68/459984068.db2.gz NFQVJRBFUMVPAK-PKOBYXMFSA-N 2 2 329.488 3.286 20 30 EGEDLP C=C(C[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)c1ccccc1 ZINC000644647318 462021425 /nfs/dbraw/zinc/02/14/25/462021425.db2.gz OJTJTFWVFUMCTA-LJQANCHMSA-N 2 2 335.451 3.317 20 30 EGEDLP C=CCCn1cc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)nn1 ZINC000657364821 462075009 /nfs/dbraw/zinc/07/50/09/462075009.db2.gz AHLDCSUYJHCILI-QGZVFWFLSA-N 2 2 339.487 3.169 20 30 EGEDLP C=CCC1([NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CCCC1 ZINC000661849058 462436709 /nfs/dbraw/zinc/43/67/09/462436709.db2.gz RSWBACNVAAQXDW-KRWDZBQOSA-N 2 2 327.472 3.493 20 30 EGEDLP C=CC[NH+]1CCC([NH2+]Cc2sc3nc(C)nc(C)c3c2C)CC1 ZINC000730020147 574905167 /nfs/dbraw/zinc/90/51/67/574905167.db2.gz YMUVWHMFLQCZDJ-UHFFFAOYSA-N 2 2 330.501 3.357 20 30 EGEDLP COc1cccc([C@H](CNC(=[NH2+])Nc2ccc(C)c(C)c2)[NH+](C)C)c1 ZINC000104155415 1293018645 /nfs/dbraw/zinc/01/86/45/1293018645.db2.gz PIKIZRLHTNWBPR-IBGZPJMESA-N 2 2 340.471 3.342 20 30 EGEDLP C[NH+](C)[C@@H](CNC(=[NH2+])N1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000183891291 1295156942 /nfs/dbraw/zinc/15/69/42/1295156942.db2.gz RBVPEIYSNRAIAK-HNNXBMFYSA-N 2 2 342.409 3.109 20 30 EGEDLP CCCNC(=[NH2+])NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000303888893 1296872234 /nfs/dbraw/zinc/87/22/34/1296872234.db2.gz LPIAOZFWBMPECP-QGZVFWFLSA-N 2 2 342.512 3.162 20 30 EGEDLP CCCNC(=[NH2+])NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000303888893 1296872250 /nfs/dbraw/zinc/87/22/50/1296872250.db2.gz LPIAOZFWBMPECP-QGZVFWFLSA-N 2 2 342.512 3.162 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3cc(N)cc(F)c3)CC2)cc1 ZINC000873288783 1297410968 /nfs/dbraw/zinc/41/09/68/1297410968.db2.gz LKKBXPPOIKDWOO-UHFFFAOYSA-N 2 2 338.430 3.034 20 30 EGEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000695861806 1298162436 /nfs/dbraw/zinc/16/24/36/1298162436.db2.gz BXMTZEDCMDAKMC-IEBWSBKVSA-N 2 2 329.488 3.195 20 30 EGEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000695861806 1298162443 /nfs/dbraw/zinc/16/24/43/1298162443.db2.gz BXMTZEDCMDAKMC-IEBWSBKVSA-N 2 2 329.488 3.195 20 30 EGEDLP C=CC[C@H](C)[C@@H](C)[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000764675563 1302115695 /nfs/dbraw/zinc/11/56/95/1302115695.db2.gz FRNAAQPHQMRCFV-RBUKOAKNSA-N 2 2 345.531 3.398 20 30 EGEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000776154165 1304102724 /nfs/dbraw/zinc/10/27/24/1304102724.db2.gz PNILRBMMPSTFNI-UHFFFAOYSA-N 2 2 330.435 3.184 20 30 EGEDLP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000797999338 1310281820 /nfs/dbraw/zinc/28/18/20/1310281820.db2.gz UELVELYBJMCPEW-DYESRHJHSA-N 2 2 343.515 3.292 20 30 EGEDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(OCC#N)cc1 ZINC000817942114 1319470538 /nfs/dbraw/zinc/47/05/38/1319470538.db2.gz MLDHSYSNCHHPSA-YWZLYKJASA-N 2 2 338.455 3.006 20 30 EGEDLP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001024737699 1323637986 /nfs/dbraw/zinc/63/79/86/1323637986.db2.gz LXQIXGMJTUJCRM-IBGZPJMESA-N 2 2 338.455 3.033 20 30 EGEDLP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001024737699 1323637992 /nfs/dbraw/zinc/63/79/92/1323637992.db2.gz LXQIXGMJTUJCRM-IBGZPJMESA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3c(C)cc(C)[nH+]c3C)C[C@@H]12 ZINC001026316682 1324720959 /nfs/dbraw/zinc/72/09/59/1324720959.db2.gz GZNKPIYAGOJWKG-KZNAEPCWSA-N 2 2 327.472 3.023 20 30 EGEDLP C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034467618 1342522216 /nfs/dbraw/zinc/52/22/16/1342522216.db2.gz LABISURCKYYNMJ-SFHVURJKSA-N 2 2 338.455 3.033 20 30 EGEDLP C=CCC[N@H+]1CCCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034467618 1342522219 /nfs/dbraw/zinc/52/22/19/1342522219.db2.gz LABISURCKYYNMJ-SFHVURJKSA-N 2 2 338.455 3.033 20 30 EGEDLP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1c(C)cc(C)[nH+]c1C ZINC001039288247 1344997842 /nfs/dbraw/zinc/99/78/42/1344997842.db2.gz XILOBVUIGBEJCZ-AYHJJNSGSA-N 2 2 327.472 3.308 20 30 EGEDLP C=CCC[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC(C)(C)C1 ZINC001089442486 1360432042 /nfs/dbraw/zinc/43/20/42/1360432042.db2.gz PPMXZGSBIBENGC-INIZCTEOSA-N 2 2 340.471 3.131 20 30 EGEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC(C)(C)C1 ZINC001089442486 1360432045 /nfs/dbraw/zinc/43/20/45/1360432045.db2.gz PPMXZGSBIBENGC-INIZCTEOSA-N 2 2 340.471 3.131 20 30 EGEDLP C=CCC[NH2+]C[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001184850852 1387549223 /nfs/dbraw/zinc/54/92/23/1387549223.db2.gz HSPUUKLHZOEVSG-QAPCUYQASA-N 2 2 329.488 3.271 20 30 EGEDLP CCCCCCC[NH2+]C1CC(CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001100440495 1364115837 /nfs/dbraw/zinc/11/58/37/1364115837.db2.gz XKQPQDVORHGPPJ-UHFFFAOYSA-N 2 2 347.503 3.088 20 30 EGEDLP CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001185504857 1387734796 /nfs/dbraw/zinc/73/47/96/1387734796.db2.gz XOMCSHWHWAZEKS-MSOLQXFVSA-N 2 2 348.535 3.007 20 30 EGEDLP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190933432 1367386153 /nfs/dbraw/zinc/38/61/53/1367386153.db2.gz HWVGBKRJCBCHTM-QGZVFWFLSA-N 2 2 340.471 3.456 20 30 EGEDLP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190933432 1367386157 /nfs/dbraw/zinc/38/61/57/1367386157.db2.gz HWVGBKRJCBCHTM-QGZVFWFLSA-N 2 2 340.471 3.456 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cc[nH+]c1)C2 ZINC001108738081 1367567122 /nfs/dbraw/zinc/56/71/22/1367567122.db2.gz YSQDOERNMXDUGM-OTWHNJEPSA-N 2 2 346.519 3.213 20 30 EGEDLP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192295611 1367742196 /nfs/dbraw/zinc/74/21/96/1367742196.db2.gz VOZUFTUHJNHRHL-IRXDYDNUSA-N 2 2 344.503 3.109 20 30 EGEDLP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192295611 1367742201 /nfs/dbraw/zinc/74/22/01/1367742201.db2.gz VOZUFTUHJNHRHL-IRXDYDNUSA-N 2 2 344.503 3.109 20 30 EGEDLP CCCCCCC[NH2+]C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001202862838 1369910785 /nfs/dbraw/zinc/91/07/85/1369910785.db2.gz HEQYLHANBGXMEU-INIZCTEOSA-N 2 2 334.508 3.139 20 30 EGEDLP CCCCCCC[NH2+]C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001202862838 1369910791 /nfs/dbraw/zinc/91/07/91/1369910791.db2.gz HEQYLHANBGXMEU-INIZCTEOSA-N 2 2 334.508 3.139 20 30 EGEDLP C=CCCCCC[NH2+][C@@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C12CCC2 ZINC001203659792 1370205958 /nfs/dbraw/zinc/20/59/58/1370205958.db2.gz KZRHKQBJGARWCL-MSOLQXFVSA-N 2 2 344.503 3.024 20 30 EGEDLP C=CCOc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)cc1 ZINC001204299804 1370436440 /nfs/dbraw/zinc/43/64/40/1370436440.db2.gz FODKNXUPZQDAIQ-WOJBJXKFSA-N 2 2 349.478 3.210 20 30 EGEDLP C=CCCCC[NH+]1CC[C@@H]2C[N@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001209203325 1372037436 /nfs/dbraw/zinc/03/74/36/1372037436.db2.gz WPPCYMBMYKRRDP-IEBWSBKVSA-N 2 2 349.544 3.331 20 30 EGEDLP C=CCCCC[NH+]1CC[C@@H]2C[N@@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001209203325 1372037438 /nfs/dbraw/zinc/03/74/38/1372037438.db2.gz WPPCYMBMYKRRDP-IEBWSBKVSA-N 2 2 349.544 3.331 20 30 EGEDLP C=CCCCC[N@@H+]1CC[C@@H]2C[NH+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001209203325 1372037441 /nfs/dbraw/zinc/03/74/41/1372037441.db2.gz WPPCYMBMYKRRDP-IEBWSBKVSA-N 2 2 349.544 3.331 20 30 EGEDLP C=CCCCC[N@H+]1CC[C@@H]2C[NH+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001209203325 1372037448 /nfs/dbraw/zinc/03/74/48/1372037448.db2.gz WPPCYMBMYKRRDP-IEBWSBKVSA-N 2 2 349.544 3.331 20 30 EGEDLP C=CCCCCCC[N@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001209437362 1372106651 /nfs/dbraw/zinc/10/66/51/1372106651.db2.gz JLKKBMHOQKLRCN-UHFFFAOYSA-N 2 2 327.476 3.123 20 30 EGEDLP C=CCCCCCC[N@@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001209437362 1372106652 /nfs/dbraw/zinc/10/66/52/1372106652.db2.gz JLKKBMHOQKLRCN-UHFFFAOYSA-N 2 2 327.476 3.123 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132030211 1375106676 /nfs/dbraw/zinc/10/66/76/1375106676.db2.gz SPGDZXHJMZODBI-IRXDYDNUSA-N 2 2 334.508 3.282 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132030211 1375106680 /nfs/dbraw/zinc/10/66/80/1375106680.db2.gz SPGDZXHJMZODBI-IRXDYDNUSA-N 2 2 334.508 3.282 20 30 EGEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC[C@@H]1C ZINC001132992760 1375699232 /nfs/dbraw/zinc/69/92/32/1375699232.db2.gz MFRRGCPZWYJXTL-KSSFIOAISA-N 2 2 329.488 3.271 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001189261258 1388499761 /nfs/dbraw/zinc/49/97/61/1388499761.db2.gz MYDRDYPIOPNENN-CEXWTWQISA-N 2 2 344.503 3.113 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001189261258 1388499765 /nfs/dbraw/zinc/49/97/65/1388499765.db2.gz MYDRDYPIOPNENN-CEXWTWQISA-N 2 2 344.503 3.113 20 30 EGEDLP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001153362254 1380065265 /nfs/dbraw/zinc/06/52/65/1380065265.db2.gz MJXJTBMXDOQGAD-OAHLLOKOSA-N 2 2 328.460 3.049 20 30 EGEDLP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001153362254 1380065271 /nfs/dbraw/zinc/06/52/71/1380065271.db2.gz MJXJTBMXDOQGAD-OAHLLOKOSA-N 2 2 328.460 3.049 20 30 EGEDLP C=CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001158533799 1381285695 /nfs/dbraw/zinc/28/56/95/1381285695.db2.gz HJZGYTPSPDOCSO-QZTJIDSGSA-N 2 2 332.492 3.113 20 30 EGEDLP C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001158533799 1381285700 /nfs/dbraw/zinc/28/57/00/1381285700.db2.gz HJZGYTPSPDOCSO-QZTJIDSGSA-N 2 2 332.492 3.113 20 30 EGEDLP N#Cc1ccccc1-c1ccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC001307735514 1384021360 /nfs/dbraw/zinc/02/13/60/1384021360.db2.gz YNIDKZZSLWJUEO-UHFFFAOYSA-N 2 2 343.434 3.271 20 30 EGEDLP Cc1cc(N(C)C)[nH+]cc1NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001171276836 1384483697 /nfs/dbraw/zinc/48/36/97/1384483697.db2.gz IUGODIPHSMOBPR-UHFFFAOYSA-N 2 2 349.482 3.426 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001171487296 1384538806 /nfs/dbraw/zinc/53/88/06/1384538806.db2.gz SQJSAIBZHAVBFH-IRXDYDNUSA-N 2 2 347.503 3.252 20 30 EGEDLP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001177431190 1385953791 /nfs/dbraw/zinc/95/37/91/1385953791.db2.gz OCHUPHLQMOIZNS-GOSISDBHSA-N 2 2 346.519 3.409 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001178852296 1386328791 /nfs/dbraw/zinc/32/87/91/1386328791.db2.gz OHZCGIYKNOKDSX-ROUUACIJSA-N 2 2 346.519 3.066 20 30 EGEDLP C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001178879848 1386337134 /nfs/dbraw/zinc/33/71/34/1386337134.db2.gz GPVXGPFEHYHGJN-KRWDZBQOSA-N 2 2 346.519 3.055 20 30 EGEDLP C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001178879848 1386337139 /nfs/dbraw/zinc/33/71/39/1386337139.db2.gz GPVXGPFEHYHGJN-KRWDZBQOSA-N 2 2 346.519 3.055 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001179705610 1386560475 /nfs/dbraw/zinc/56/04/75/1386560475.db2.gz JXNNCRJYGABMBD-ZWKOTPCHSA-N 2 2 334.508 3.455 20 30 EGEDLP C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001485435084 1395901964 /nfs/dbraw/zinc/90/19/64/1395901964.db2.gz QJNWEDUHMSLSBJ-HNNXBMFYSA-N 2 2 348.878 3.392 20 30 EGEDLP C=CCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001753796703 1440489905 /nfs/dbraw/zinc/48/99/05/1440489905.db2.gz MWPOFVJDAWLJHP-QZTJIDSGSA-N 2 2 346.519 3.110 20 30 EGEDLP C=C(C)CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001754346559 1440589860 /nfs/dbraw/zinc/58/98/60/1440589860.db2.gz QVMNTVPSKGGSFD-DLBZAZTESA-N 2 2 340.471 3.179 20 30 EGEDLP N#Cc1cccc([C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CCO2)c1 ZINC000378309540 169099815 /nfs/dbraw/zinc/09/98/15/169099815.db2.gz IEEWLOUTCODMSH-OAQYLSRUSA-N 2 2 344.418 3.317 20 30 EGEDLP N#Cc1cccc([C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CCO2)c1 ZINC000378309540 169099818 /nfs/dbraw/zinc/09/98/18/169099818.db2.gz IEEWLOUTCODMSH-OAQYLSRUSA-N 2 2 344.418 3.317 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000268857148 252305042 /nfs/dbraw/zinc/30/50/42/252305042.db2.gz HFORFFYPLHEEKJ-GHTZIAJQSA-N 3 2 327.516 3.280 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000268857148 252305044 /nfs/dbraw/zinc/30/50/44/252305044.db2.gz HFORFFYPLHEEKJ-GHTZIAJQSA-N 3 2 327.516 3.280 20 30 EGEDLP C=CCN1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000268857148 252305049 /nfs/dbraw/zinc/30/50/49/252305049.db2.gz HFORFFYPLHEEKJ-GHTZIAJQSA-N 2 2 327.516 3.280 20 30 EGEDLP C=CCN1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000268857148 252305051 /nfs/dbraw/zinc/30/50/51/252305051.db2.gz HFORFFYPLHEEKJ-GHTZIAJQSA-N 2 2 327.516 3.280 20 30 EGEDLP Cc1[nH+]c[nH]c1CNC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000328602219 258041022 /nfs/dbraw/zinc/04/10/22/258041022.db2.gz AVGPPGSVCJZFKH-YLJYHZDGSA-N 2 2 338.455 3.477 20 30 EGEDLP Cc1[nH+]c[nH]c1CNC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000328602219 258041023 /nfs/dbraw/zinc/04/10/23/258041023.db2.gz AVGPPGSVCJZFKH-YLJYHZDGSA-N 2 2 338.455 3.477 20 30 EGEDLP C[N@H+](CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000367601947 168248064 /nfs/dbraw/zinc/24/80/64/168248064.db2.gz QPVFUWZMCNONML-UHFFFAOYSA-N 2 2 348.494 3.249 20 30 EGEDLP C[N@@H+](CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000367601947 168248065 /nfs/dbraw/zinc/24/80/65/168248065.db2.gz QPVFUWZMCNONML-UHFFFAOYSA-N 2 2 348.494 3.249 20 30 EGEDLP Cc1cc[nH+]cc1CCC[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000529671394 268064592 /nfs/dbraw/zinc/06/45/92/268064592.db2.gz CNISJGUCUPBCAA-UHFFFAOYSA-N 2 2 335.451 3.490 20 30 EGEDLP N#Cc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(OC(F)F)c1 ZINC000437891655 268222149 /nfs/dbraw/zinc/22/21/49/268222149.db2.gz VFTHPUBCDXWTTB-OAHLLOKOSA-N 2 2 335.398 3.077 20 30 EGEDLP N#Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(OC(F)F)c1 ZINC000437891655 268222150 /nfs/dbraw/zinc/22/21/50/268222150.db2.gz VFTHPUBCDXWTTB-OAHLLOKOSA-N 2 2 335.398 3.077 20 30 EGEDLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C#N)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000580147152 325207764 /nfs/dbraw/zinc/20/77/64/325207764.db2.gz VSLGXYHUVFEOJG-DYESRHJHSA-N 2 2 334.467 3.438 20 30 EGEDLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C#N)cn2)CC[N@H+]1Cc1ccccc1 ZINC000580147152 325207766 /nfs/dbraw/zinc/20/77/66/325207766.db2.gz VSLGXYHUVFEOJG-DYESRHJHSA-N 2 2 334.467 3.438 20 30 EGEDLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)cn2)CC[NH+]1Cc1ccccc1 ZINC000580147152 325207768 /nfs/dbraw/zinc/20/77/68/325207768.db2.gz VSLGXYHUVFEOJG-DYESRHJHSA-N 2 2 334.467 3.438 20 30 EGEDLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cn2)CC[NH+]1Cc1ccccc1 ZINC000580147152 325207769 /nfs/dbraw/zinc/20/77/69/325207769.db2.gz VSLGXYHUVFEOJG-DYESRHJHSA-N 2 2 334.467 3.438 20 30 EGEDLP C=CCOc1c(Cl)cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000623497026 460582706 /nfs/dbraw/zinc/58/27/06/460582706.db2.gz UJNWCLNDTRZHPT-AWEZNQCLSA-N 2 2 347.846 3.215 20 30 EGEDLP CN(CCC#N)c1ccc(C[NH2+]CC[N@H+](C)Cc2ccccc2)cc1 ZINC000067222050 453911941 /nfs/dbraw/zinc/91/19/41/453911941.db2.gz ZRCUXXUQXQNXHM-UHFFFAOYSA-N 2 2 336.483 3.258 20 30 EGEDLP CN(CCC#N)c1ccc(C[NH2+]CC[N@@H+](C)Cc2ccccc2)cc1 ZINC000067222050 453911944 /nfs/dbraw/zinc/91/19/44/453911944.db2.gz ZRCUXXUQXQNXHM-UHFFFAOYSA-N 2 2 336.483 3.258 20 30 EGEDLP C[C@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)c1cccc(C#N)c1 ZINC000181869638 455391973 /nfs/dbraw/zinc/39/19/73/455391973.db2.gz ANWDZMLBLCFSTH-SFHVURJKSA-N 2 2 341.499 3.492 20 30 EGEDLP C[NH+](C)C1CC[NH+](CCNc2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000097145024 454416537 /nfs/dbraw/zinc/41/65/37/454416537.db2.gz JVVQZNZZZCQGHI-UHFFFAOYSA-N 2 2 340.393 3.015 20 30 EGEDLP COc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc1OCCCC#N ZINC000064614528 454493658 /nfs/dbraw/zinc/49/36/58/454493658.db2.gz MFQDZAQRSYYNFF-INIZCTEOSA-N 2 2 342.443 3.000 20 30 EGEDLP CC[N@H+](C)C[C@@H]1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000154533640 454904875 /nfs/dbraw/zinc/90/48/75/454904875.db2.gz OTHNEBFNRCIGGG-INIZCTEOSA-N 2 2 340.389 3.210 20 30 EGEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000154533640 454904877 /nfs/dbraw/zinc/90/48/77/454904877.db2.gz OTHNEBFNRCIGGG-INIZCTEOSA-N 2 2 340.389 3.210 20 30 EGEDLP CC[NH+](C)C[C@@H]1CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000154533640 454904881 /nfs/dbraw/zinc/90/48/81/454904881.db2.gz OTHNEBFNRCIGGG-INIZCTEOSA-N 2 2 340.389 3.210 20 30 EGEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000154533640 454904886 /nfs/dbraw/zinc/90/48/86/454904886.db2.gz OTHNEBFNRCIGGG-INIZCTEOSA-N 2 2 340.389 3.210 20 30 EGEDLP C=CC[NH+]1CCC([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000180488749 455181277 /nfs/dbraw/zinc/18/12/77/455181277.db2.gz XFLSBUDFLGTOGU-UHFFFAOYSA-N 2 2 337.508 3.062 20 30 EGEDLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000185731091 455608719 /nfs/dbraw/zinc/60/87/19/455608719.db2.gz QNWPVPAVIHETJT-SJORKVTESA-N 2 2 342.487 3.331 20 30 EGEDLP C#CC[NH+]1CCC(C(=O)Nc2ccc(Oc3cc[nH+]cc3)c(C)c2)CC1 ZINC000193703292 455771771 /nfs/dbraw/zinc/77/17/71/455771771.db2.gz QHYSWJFUJOQLGN-UHFFFAOYSA-N 2 2 349.434 3.466 20 30 EGEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(C#N)cc1 ZINC000271855794 455788039 /nfs/dbraw/zinc/78/80/39/455788039.db2.gz JGJMSQDFEDNUDG-MTNREXPMSA-N 2 2 349.478 3.092 20 30 EGEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(C#N)cc1 ZINC000271855794 455788042 /nfs/dbraw/zinc/78/80/42/455788042.db2.gz JGJMSQDFEDNUDG-MTNREXPMSA-N 2 2 349.478 3.092 20 30 EGEDLP CC(C)(C#N)CCO[NH+]=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000272068613 455838259 /nfs/dbraw/zinc/83/82/59/455838259.db2.gz HOZWSRYUOCUAEI-UHFFFAOYSA-N 2 2 328.460 3.249 20 30 EGEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc(Br)c2F)CC1 ZINC000295318366 455846588 /nfs/dbraw/zinc/84/65/88/455846588.db2.gz YXWDUBVDJRCNLL-UHFFFAOYSA-N 2 2 327.241 3.328 20 30 EGEDLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCC[C@H](C#N)C3)[nH+]c2)CC1 ZINC000278862955 455851904 /nfs/dbraw/zinc/85/19/04/455851904.db2.gz WKGGPNNKMBPSGJ-JKSUJKDBSA-N 2 2 327.476 3.106 20 30 EGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000289370841 456123277 /nfs/dbraw/zinc/12/32/77/456123277.db2.gz KCBNTXWROAZLBN-KRWDZBQOSA-N 2 2 345.487 3.046 20 30 EGEDLP COc1cc(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000353190036 456549077 /nfs/dbraw/zinc/54/90/77/456549077.db2.gz ILVCFOUAOWXGPI-JXFKEZNVSA-N 2 2 335.451 3.177 20 30 EGEDLP COc1cc(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000353190036 456549083 /nfs/dbraw/zinc/54/90/83/456549083.db2.gz ILVCFOUAOWXGPI-JXFKEZNVSA-N 2 2 335.451 3.177 20 30 EGEDLP C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@H]1n1cc[nH+]c1 ZINC000348258620 456576914 /nfs/dbraw/zinc/57/69/14/456576914.db2.gz XHOOWWXKTJDHAE-XJKSGUPXSA-N 2 2 346.381 3.439 20 30 EGEDLP C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@H]1n1cc[nH+]c1 ZINC000348258620 456576916 /nfs/dbraw/zinc/57/69/16/456576916.db2.gz XHOOWWXKTJDHAE-XJKSGUPXSA-N 2 2 346.381 3.439 20 30 EGEDLP N#Cc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(OC(F)F)c1 ZINC000347123992 457241472 /nfs/dbraw/zinc/24/14/72/457241472.db2.gz ILUJJFKPDBRMLY-INIZCTEOSA-N 2 2 345.349 3.208 20 30 EGEDLP N#Cc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(OC(F)F)c1 ZINC000347123992 457241477 /nfs/dbraw/zinc/24/14/77/457241477.db2.gz ILUJJFKPDBRMLY-INIZCTEOSA-N 2 2 345.349 3.208 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2nnn(-c3ccccc3)c2C)CC1 ZINC000361215017 457648424 /nfs/dbraw/zinc/64/84/24/457648424.db2.gz HNOGODSNVNZGIQ-INIZCTEOSA-N 2 2 339.487 3.267 20 30 EGEDLP C=CCOc1ccc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000368756424 458055788 /nfs/dbraw/zinc/05/57/88/458055788.db2.gz QYYYHEIUUGWKTN-UHFFFAOYSA-N 2 2 337.467 3.401 20 30 EGEDLP CC1(C)C[N@@H+](C2(C[NH2+][C@H]3CCC[C@@H](C#N)C3)CCCCC2)CCO1 ZINC000447535660 458306238 /nfs/dbraw/zinc/30/62/38/458306238.db2.gz HQDCQAHEPLTMKD-MSOLQXFVSA-N 2 2 333.520 3.472 20 30 EGEDLP CC1(C)C[N@H+](C2(C[NH2+][C@H]3CCC[C@@H](C#N)C3)CCCCC2)CCO1 ZINC000447535660 458306240 /nfs/dbraw/zinc/30/62/40/458306240.db2.gz HQDCQAHEPLTMKD-MSOLQXFVSA-N 2 2 333.520 3.472 20 30 EGEDLP CC1(C#N)CCC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000449287502 458422923 /nfs/dbraw/zinc/42/29/23/458422923.db2.gz WWJKWPZMUJAPSB-NYLDSWQDSA-N 2 2 341.499 3.340 20 30 EGEDLP CC1(C#N)CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000449287502 458422927 /nfs/dbraw/zinc/42/29/27/458422927.db2.gz WWJKWPZMUJAPSB-NYLDSWQDSA-N 2 2 341.499 3.340 20 30 EGEDLP C=CCc1cc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc(OC)c1O ZINC000373227095 458436801 /nfs/dbraw/zinc/43/68/01/458436801.db2.gz JETOYJCMKRUKOF-QGZVFWFLSA-N 2 2 341.455 3.242 20 30 EGEDLP C=CCc1cc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc(OC)c1O ZINC000373227095 458436808 /nfs/dbraw/zinc/43/68/08/458436808.db2.gz JETOYJCMKRUKOF-QGZVFWFLSA-N 2 2 341.455 3.242 20 30 EGEDLP CCCCCCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000377713867 458512162 /nfs/dbraw/zinc/51/21/62/458512162.db2.gz BQWSPMDIPWAZMT-QBUWPKIASA-N 2 2 337.552 3.409 20 30 EGEDLP CCCCCCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000377713867 458512166 /nfs/dbraw/zinc/51/21/66/458512166.db2.gz BQWSPMDIPWAZMT-QBUWPKIASA-N 2 2 337.552 3.409 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)nc1 ZINC000595552484 459343814 /nfs/dbraw/zinc/34/38/14/459343814.db2.gz WVGNKPUTICZKMU-UHFFFAOYSA-N 2 2 331.423 3.284 20 30 EGEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(OC)cc(C(F)(F)F)c2)CC1 ZINC000527658321 459688233 /nfs/dbraw/zinc/68/82/33/459688233.db2.gz ZIELKLPPSQQVSU-UHFFFAOYSA-N 2 2 328.378 3.454 20 30 EGEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602485800 459963594 /nfs/dbraw/zinc/96/35/94/459963594.db2.gz STKDSZBSXGZFLC-SFHVURJKSA-N 2 2 331.423 3.276 20 30 EGEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602485800 459963596 /nfs/dbraw/zinc/96/35/96/459963596.db2.gz STKDSZBSXGZFLC-SFHVURJKSA-N 2 2 331.423 3.276 20 30 EGEDLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602502603 459970589 /nfs/dbraw/zinc/97/05/89/459970589.db2.gz GPNZHYVSNZODIX-INIZCTEOSA-N 2 2 340.471 3.423 20 30 EGEDLP N#Cc1cccc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)n1 ZINC000602666274 460054397 /nfs/dbraw/zinc/05/43/97/460054397.db2.gz FRQPEEVROAUXGB-LJQANCHMSA-N 2 2 334.467 3.345 20 30 EGEDLP N#Cc1cccc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000602666274 460054402 /nfs/dbraw/zinc/05/44/02/460054402.db2.gz FRQPEEVROAUXGB-LJQANCHMSA-N 2 2 334.467 3.345 20 30 EGEDLP C=CCc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc(OC)c1O ZINC000655855997 461503864 /nfs/dbraw/zinc/50/38/64/461503864.db2.gz KHWYMEURSANPDF-QZTJIDSGSA-N 2 2 330.472 3.236 20 30 EGEDLP C=CCc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc(OC)c1O ZINC000655855997 461503879 /nfs/dbraw/zinc/50/38/79/461503879.db2.gz KHWYMEURSANPDF-QZTJIDSGSA-N 2 2 330.472 3.236 20 30 EGEDLP C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000728712880 574767708 /nfs/dbraw/zinc/76/77/08/574767708.db2.gz BVNITEIBBCTJKE-PXNSSMCTSA-N 2 2 335.451 3.342 20 30 EGEDLP C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000728712880 574767710 /nfs/dbraw/zinc/76/77/10/574767710.db2.gz BVNITEIBBCTJKE-PXNSSMCTSA-N 2 2 335.451 3.342 20 30 EGEDLP C#CCCOc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000733323331 575327571 /nfs/dbraw/zinc/32/75/71/575327571.db2.gz USCWTDYTZBBCSR-NRFANRHFSA-N 2 2 334.463 3.453 20 30 EGEDLP C#CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000733323331 575327572 /nfs/dbraw/zinc/32/75/72/575327572.db2.gz USCWTDYTZBBCSR-NRFANRHFSA-N 2 2 334.463 3.453 20 30 EGEDLP COc1cccc([C@@H](CNC(=[NH2+])Nc2ccc(C)c(C)c2)[NH+](C)C)c1 ZINC000104155420 1293019228 /nfs/dbraw/zinc/01/92/28/1293019228.db2.gz PIKIZRLHTNWBPR-LJQANCHMSA-N 2 2 340.471 3.342 20 30 EGEDLP C[NH+](C)[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)c1ccc(F)cc1 ZINC000261983121 1296613350 /nfs/dbraw/zinc/61/33/50/1296613350.db2.gz ITSUUXLFLRGBKV-IBGZPJMESA-N 2 2 340.446 3.344 20 30 EGEDLP CC(C)NC(=[NH2+])NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000303990409 1296888031 /nfs/dbraw/zinc/88/80/31/1296888031.db2.gz YNJFBDVYWHDUTI-UHFFFAOYSA-N 2 2 347.466 3.411 20 30 EGEDLP CCc1cccc(NC(=[NH2+])NCC[N@H+](C)Cc2ccc(F)cc2)c1 ZINC000304732124 1296936719 /nfs/dbraw/zinc/93/67/19/1296936719.db2.gz RHFUENVTTGSPDY-UHFFFAOYSA-N 2 2 328.435 3.247 20 30 EGEDLP CCc1cccc(NC(=[NH2+])NCC[N@@H+](C)Cc2ccc(F)cc2)c1 ZINC000304732124 1296936731 /nfs/dbraw/zinc/93/67/31/1296936731.db2.gz RHFUENVTTGSPDY-UHFFFAOYSA-N 2 2 328.435 3.247 20 30 EGEDLP C=CC(C)(C)CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000879290758 1300470314 /nfs/dbraw/zinc/47/03/14/1300470314.db2.gz MSBKLGMISIILDY-RTBURBONSA-N 2 2 349.563 3.384 20 30 EGEDLP C=CC(C)(C)CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000879290758 1300470316 /nfs/dbraw/zinc/47/03/16/1300470316.db2.gz MSBKLGMISIILDY-RTBURBONSA-N 2 2 349.563 3.384 20 30 EGEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCCc2cccc(F)c2)cc1 ZINC000778598061 1304472413 /nfs/dbraw/zinc/47/24/13/1304472413.db2.gz QFTRMZDINJKVKV-UHFFFAOYSA-N 2 2 329.419 3.157 20 30 EGEDLP C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000896197319 1309739629 /nfs/dbraw/zinc/73/96/29/1309739629.db2.gz AOJAVWWJDLNMJF-INIZCTEOSA-N 2 2 336.439 3.449 20 30 EGEDLP C[C@H](Cc1cccnc1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000897969216 1310532824 /nfs/dbraw/zinc/53/28/24/1310532824.db2.gz GQRHXAWEZAJGTG-QGZVFWFLSA-N 2 2 334.467 3.138 20 30 EGEDLP Cn1cc(C[NH+]2CCC([NH2+]C3CCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000897980816 1310537807 /nfs/dbraw/zinc/53/78/07/1310537807.db2.gz DIPUHPPKQBUDBC-UHFFFAOYSA-N 2 2 349.482 3.065 20 30 EGEDLP Cc1ncccc1CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000898256683 1310649299 /nfs/dbraw/zinc/64/92/99/1310649299.db2.gz ZYFAENLSKHQRKN-UHFFFAOYSA-N 2 2 334.467 3.058 20 30 EGEDLP C[NH+](C)Cc1cnc(/C=C\C(=O)c2cccc(C[NH+](C)C)c2)s1 ZINC000905078184 1317921139 /nfs/dbraw/zinc/92/11/39/1317921139.db2.gz NAQMVYOYWKJFJR-HJWRWDBZSA-N 2 2 329.469 3.162 20 30 EGEDLP CC(C)([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCOCC1 ZINC000812844239 1318470122 /nfs/dbraw/zinc/47/01/22/1318470122.db2.gz AQGOBRBHBVPRFH-UHFFFAOYSA-N 2 2 341.499 3.317 20 30 EGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000815652572 1319037587 /nfs/dbraw/zinc/03/75/87/1319037587.db2.gz IJUPXRFNRWXRHP-NRFANRHFSA-N 2 2 340.442 3.468 20 30 EGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000815652572 1319037593 /nfs/dbraw/zinc/03/75/93/1319037593.db2.gz IJUPXRFNRWXRHP-NRFANRHFSA-N 2 2 340.442 3.468 20 30 EGEDLP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@]2(COC)CCC[NH2+]2)cc1 ZINC000817974409 1319482889 /nfs/dbraw/zinc/48/28/89/1319482889.db2.gz LJLQSJNNKJOQMB-QAPCUYQASA-N 2 2 338.879 3.237 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)CC1 ZINC000924984188 1323235803 /nfs/dbraw/zinc/23/58/03/1323235803.db2.gz OZJGRQWYMADIKE-MRXNPFEDSA-N 2 2 337.508 3.014 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001025293863 1324121490 /nfs/dbraw/zinc/12/14/90/1324121490.db2.gz VMEJBNVJJYMDJX-OALUTQOASA-N 2 2 344.503 3.072 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001025293863 1324121495 /nfs/dbraw/zinc/12/14/95/1324121495.db2.gz VMEJBNVJJYMDJX-OALUTQOASA-N 2 2 344.503 3.072 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948553771 1333572709 /nfs/dbraw/zinc/57/27/09/1333572709.db2.gz LAJNTQAIAIGOLO-QGZVFWFLSA-N 2 2 340.471 3.456 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948553771 1333572710 /nfs/dbraw/zinc/57/27/10/1333572710.db2.gz LAJNTQAIAIGOLO-QGZVFWFLSA-N 2 2 340.471 3.456 20 30 EGEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC001044802745 1346431339 /nfs/dbraw/zinc/43/13/39/1346431339.db2.gz YQBPLJNTVKVHDA-AEFFLSMTSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001089648698 1360562207 /nfs/dbraw/zinc/56/22/07/1360562207.db2.gz PSVYOKWDPQJSTA-MRXNPFEDSA-N 2 2 349.544 3.216 20 30 EGEDLP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001089648698 1360562209 /nfs/dbraw/zinc/56/22/09/1360562209.db2.gz PSVYOKWDPQJSTA-MRXNPFEDSA-N 2 2 349.544 3.216 20 30 EGEDLP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001184651910 1387503244 /nfs/dbraw/zinc/50/32/44/1387503244.db2.gz ISMVMABWGNWZFC-CVEARBPZSA-N 2 2 340.471 3.217 20 30 EGEDLP C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001099264183 1363721783 /nfs/dbraw/zinc/72/17/83/1363721783.db2.gz OVOJEBYFHLQTPQ-FUHWJXTLSA-N 2 2 346.519 3.161 20 30 EGEDLP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001099264183 1363721785 /nfs/dbraw/zinc/72/17/85/1363721785.db2.gz OVOJEBYFHLQTPQ-FUHWJXTLSA-N 2 2 346.519 3.161 20 30 EGEDLP C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001099264183 1363721788 /nfs/dbraw/zinc/72/17/88/1363721788.db2.gz OVOJEBYFHLQTPQ-FUHWJXTLSA-N 2 2 346.519 3.161 20 30 EGEDLP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001099264183 1363721791 /nfs/dbraw/zinc/72/17/91/1363721791.db2.gz OVOJEBYFHLQTPQ-FUHWJXTLSA-N 2 2 346.519 3.161 20 30 EGEDLP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001109826745 1367343067 /nfs/dbraw/zinc/34/30/67/1367343067.db2.gz WWEFMTCTGQFZKG-YSHGAJCASA-N 2 2 346.519 3.280 20 30 EGEDLP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001109826745 1367343072 /nfs/dbraw/zinc/34/30/72/1367343072.db2.gz WWEFMTCTGQFZKG-YSHGAJCASA-N 2 2 346.519 3.280 20 30 EGEDLP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001109826745 1367343077 /nfs/dbraw/zinc/34/30/77/1367343077.db2.gz WWEFMTCTGQFZKG-YSHGAJCASA-N 2 2 346.519 3.280 20 30 EGEDLP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001109826745 1367343084 /nfs/dbraw/zinc/34/30/84/1367343084.db2.gz WWEFMTCTGQFZKG-YSHGAJCASA-N 2 2 346.519 3.280 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001108670659 1367524061 /nfs/dbraw/zinc/52/40/61/1367524061.db2.gz BKWJCKKMQSWMSE-KSZLIROESA-N 2 2 346.519 3.282 20 30 EGEDLP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001192577976 1367823400 /nfs/dbraw/zinc/82/34/00/1367823400.db2.gz KTPOWDPAJWRIMY-QZTJIDSGSA-N 2 2 334.508 3.337 20 30 EGEDLP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001192577976 1367823406 /nfs/dbraw/zinc/82/34/06/1367823406.db2.gz KTPOWDPAJWRIMY-QZTJIDSGSA-N 2 2 334.508 3.337 20 30 EGEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001111076393 1368152743 /nfs/dbraw/zinc/15/27/43/1368152743.db2.gz GCBKYHWEGOCKFD-MKXGPGLRSA-N 2 2 344.503 3.302 20 30 EGEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001111076393 1368152745 /nfs/dbraw/zinc/15/27/45/1368152745.db2.gz GCBKYHWEGOCKFD-MKXGPGLRSA-N 2 2 344.503 3.302 20 30 EGEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001111076392 1368153764 /nfs/dbraw/zinc/15/37/64/1368153764.db2.gz GCBKYHWEGOCKFD-MANSERQUSA-N 2 2 344.503 3.302 20 30 EGEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001111076392 1368153766 /nfs/dbraw/zinc/15/37/66/1368153766.db2.gz GCBKYHWEGOCKFD-MANSERQUSA-N 2 2 344.503 3.302 20 30 EGEDLP N#CCC[N@H+](Cc1ccccc1)Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001204598692 1370527439 /nfs/dbraw/zinc/52/74/39/1370527439.db2.gz NGSSMFHFYCBWFZ-UHFFFAOYSA-N 2 2 348.494 3.008 20 30 EGEDLP N#CCC[N@@H+](Cc1ccccc1)Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001204598692 1370527442 /nfs/dbraw/zinc/52/74/42/1370527442.db2.gz NGSSMFHFYCBWFZ-UHFFFAOYSA-N 2 2 348.494 3.008 20 30 EGEDLP CCCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001205487811 1370770034 /nfs/dbraw/zinc/77/00/34/1370770034.db2.gz NWVNNRHLPZAKPE-QZTJIDSGSA-N 2 2 346.519 3.312 20 30 EGEDLP CCCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001205487811 1370770038 /nfs/dbraw/zinc/77/00/38/1370770038.db2.gz NWVNNRHLPZAKPE-QZTJIDSGSA-N 2 2 346.519 3.312 20 30 EGEDLP C=CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001120366308 1371549810 /nfs/dbraw/zinc/54/98/10/1371549810.db2.gz YTZYZUXSTCAKCH-QZTJIDSGSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001120366308 1371549812 /nfs/dbraw/zinc/54/98/12/1371549812.db2.gz YTZYZUXSTCAKCH-QZTJIDSGSA-N 2 2 344.503 3.012 20 30 EGEDLP Cc1cccc([C@@H](O)C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC001120503368 1371593761 /nfs/dbraw/zinc/59/37/61/1371593761.db2.gz PBMUZSLBCCYQJO-QFIPXVFZSA-N 2 2 349.478 3.154 20 30 EGEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001208806851 1371902844 /nfs/dbraw/zinc/90/28/44/1371902844.db2.gz NDOXYPCWXWGHPC-GOSISDBHSA-N 2 2 338.455 3.033 20 30 EGEDLP C=CCCCCC[NH2+]C1CC2(CC(NC(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001122118711 1372179329 /nfs/dbraw/zinc/17/93/29/1372179329.db2.gz RJCDSJNGXWRNTB-UHFFFAOYSA-N 2 2 344.503 3.024 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001132221100 1375217752 /nfs/dbraw/zinc/21/77/52/1375217752.db2.gz BUKVPTVMNGYPBX-ZWKOTPCHSA-N 2 2 334.508 3.213 20 30 EGEDLP CCCCCCC[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001132221100 1375217762 /nfs/dbraw/zinc/21/77/62/1375217762.db2.gz BUKVPTVMNGYPBX-ZWKOTPCHSA-N 2 2 334.508 3.213 20 30 EGEDLP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001227073434 1375384619 /nfs/dbraw/zinc/38/46/19/1375384619.db2.gz LXCNYPLAZOTLTC-IAGOWNOFSA-N 2 2 326.444 3.160 20 30 EGEDLP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132781776 1375561482 /nfs/dbraw/zinc/56/14/82/1375561482.db2.gz FVZRKANWVFGHHT-ZWKOTPCHSA-N 2 2 348.535 3.387 20 30 EGEDLP C=CCCCCC[NH+]1CCC(NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001229385713 1375824064 /nfs/dbraw/zinc/82/40/64/1375824064.db2.gz VKWPANHCGYCTOC-QGZVFWFLSA-N 2 2 332.492 3.161 20 30 EGEDLP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1C ZINC001133240999 1375861568 /nfs/dbraw/zinc/86/15/68/1375861568.db2.gz DBMTVFALXXAQJI-ZWKOTPCHSA-N 2 2 348.535 3.007 20 30 EGEDLP Cc1cc(C#N)ccc1C[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001233079533 1376564469 /nfs/dbraw/zinc/56/44/69/1376564469.db2.gz GSWHIUZGATUTNA-RTBURBONSA-N 2 2 337.492 3.492 20 30 EGEDLP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135097753 1376895590 /nfs/dbraw/zinc/89/55/90/1376895590.db2.gz PRAAQVIDGLTKFN-IRXDYDNUSA-N 2 2 340.471 3.325 20 30 EGEDLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(Oc4ccc(C#N)cc4)nc3)C2)C1 ZINC001139427931 1377883356 /nfs/dbraw/zinc/88/33/56/1377883356.db2.gz VQTYPMPZPGFYKU-NRFANRHFSA-N 2 2 348.450 3.273 20 30 EGEDLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(Oc4ccc(C#N)cc4)nc3)C2)C1 ZINC001139427931 1377883359 /nfs/dbraw/zinc/88/33/59/1377883359.db2.gz VQTYPMPZPGFYKU-NRFANRHFSA-N 2 2 348.450 3.273 20 30 EGEDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(Oc4ccc(C#N)cc4)nc3)C2)C1 ZINC001139427931 1377883364 /nfs/dbraw/zinc/88/33/64/1377883364.db2.gz VQTYPMPZPGFYKU-NRFANRHFSA-N 2 2 348.450 3.273 20 30 EGEDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(Oc4ccc(C#N)cc4)nc3)C2)C1 ZINC001139427931 1377883368 /nfs/dbraw/zinc/88/33/68/1377883368.db2.gz VQTYPMPZPGFYKU-NRFANRHFSA-N 2 2 348.450 3.273 20 30 EGEDLP C=CCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146714211 1378906184 /nfs/dbraw/zinc/90/61/84/1378906184.db2.gz OLRLPNLGAKACOM-ZWKOTPCHSA-N 2 2 334.508 3.283 20 30 EGEDLP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001153930035 1380157157 /nfs/dbraw/zinc/15/71/57/1380157157.db2.gz DUZJSXGDUVRUQW-MSOLQXFVSA-N 2 2 334.508 3.263 20 30 EGEDLP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001153930035 1380157158 /nfs/dbraw/zinc/15/71/58/1380157158.db2.gz DUZJSXGDUVRUQW-MSOLQXFVSA-N 2 2 334.508 3.263 20 30 EGEDLP CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001155751633 1380489066 /nfs/dbraw/zinc/48/90/66/1380489066.db2.gz RNNHKDDMXJOPTN-IAGOWNOFSA-N 2 2 336.524 3.385 20 30 EGEDLP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001155751633 1380489067 /nfs/dbraw/zinc/48/90/67/1380489067.db2.gz RNNHKDDMXJOPTN-IAGOWNOFSA-N 2 2 336.524 3.385 20 30 EGEDLP CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001155751633 1380489068 /nfs/dbraw/zinc/48/90/68/1380489068.db2.gz RNNHKDDMXJOPTN-IAGOWNOFSA-N 2 2 336.524 3.385 20 30 EGEDLP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001155751633 1380489069 /nfs/dbraw/zinc/48/90/69/1380489069.db2.gz RNNHKDDMXJOPTN-IAGOWNOFSA-N 2 2 336.524 3.385 20 30 EGEDLP C[NH+]1CCC(Oc2cc[nH+]c(NC3=CC(=O)CC(C)(C)C3)c2)CC1 ZINC001158956693 1381485699 /nfs/dbraw/zinc/48/56/99/1381485699.db2.gz SGHNLFRISPBSLP-UHFFFAOYSA-N 2 2 329.444 3.240 20 30 EGEDLP Cc1cc(Nc2ccc(N3CC[NH2+]CC3)c(C#N)c2)ccc1[NH+](C)C ZINC001159743279 1381886527 /nfs/dbraw/zinc/88/65/27/1381886527.db2.gz ZHBAWXZOXDLWLZ-UHFFFAOYSA-N 2 2 335.455 3.086 20 30 EGEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1[nH+]ccc2cc(F)ccc21 ZINC001171068137 1384440719 /nfs/dbraw/zinc/44/07/19/1384440719.db2.gz VFEKVUIZGPOZJO-INIZCTEOSA-N 2 2 331.391 3.013 20 30 EGEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(CCC)[nH+]c(CCC)n1 ZINC001171070874 1384441294 /nfs/dbraw/zinc/44/12/94/1384441294.db2.gz MFKIVWYCYUYXFJ-INIZCTEOSA-N 2 2 348.491 3.020 20 30 EGEDLP Cc1ccc(N([C@H](C)Cc2cccc(C#N)c2)C2CC[NH2+]CC2)[nH+]c1 ZINC001171232996 1384476005 /nfs/dbraw/zinc/47/60/05/1384476005.db2.gz YLPFEFOOSYTZGM-QGZVFWFLSA-N 2 2 334.467 3.451 20 30 EGEDLP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001171475605 1384533363 /nfs/dbraw/zinc/53/33/63/1384533363.db2.gz MBWRBJVCGPMRTE-MRXNPFEDSA-N 2 2 334.508 3.157 20 30 EGEDLP C=CCOC1CCC(N(c2cc[nH+]c(OC)c2)C2CC[NH2+]CC2)CC1 ZINC001173325655 1384959349 /nfs/dbraw/zinc/95/93/49/1384959349.db2.gz OXELNOYXONVPKD-UHFFFAOYSA-N 2 2 345.487 3.162 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001178873360 1386335423 /nfs/dbraw/zinc/33/54/23/1386335423.db2.gz XUANGSQIBLROGG-ROUUACIJSA-N 2 2 346.519 3.066 20 30 EGEDLP C=CCCCCC[NH2+]C[C@]1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001181679788 1387037748 /nfs/dbraw/zinc/03/77/48/1387037748.db2.gz KFKNXWKBAQRCQG-YLJYHZDGSA-N 2 2 346.519 3.163 20 30 EGEDLP C=CCCCCC[NH2+]C[C@]1(C)CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001181679788 1387037751 /nfs/dbraw/zinc/03/77/51/1387037751.db2.gz KFKNXWKBAQRCQG-YLJYHZDGSA-N 2 2 346.519 3.163 20 30 EGEDLP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001181819918 1387060346 /nfs/dbraw/zinc/06/03/46/1387060346.db2.gz CLLOUNIGOVMRCV-QWFCFKBJSA-N 2 2 346.519 3.121 20 30 EGEDLP C=CCC[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001753690433 1440466471 /nfs/dbraw/zinc/46/64/71/1440466471.db2.gz WIMJQDZFCYOSOQ-GJZGRUSLSA-N 2 2 328.460 3.048 20 30 EGEDLP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001753796351 1440489943 /nfs/dbraw/zinc/48/99/43/1440489943.db2.gz JYMJVCIQEPGHBF-FUHWJXTLSA-N 2 2 329.488 3.413 20 30 EGEDLP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001755740348 1440911665 /nfs/dbraw/zinc/91/16/65/1440911665.db2.gz VFBIZSQFWUBXDV-HOTGVXAUSA-N 2 2 335.879 3.247 20 30 EGEDLP C[N@H+](Cc1ccc(Br)cc1C#N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000286809079 201334023 /nfs/dbraw/zinc/33/40/23/201334023.db2.gz JMTZFAHRRSKBJO-SJPCQFCGSA-N 2 2 348.288 3.378 20 30 EGEDLP C[N@@H+](Cc1ccc(Br)cc1C#N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000286809079 201334025 /nfs/dbraw/zinc/33/40/25/201334025.db2.gz JMTZFAHRRSKBJO-SJPCQFCGSA-N 2 2 348.288 3.378 20 30 EGEDLP C[NH+](Cc1ccc(Br)cc1C#N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286809079 201334030 /nfs/dbraw/zinc/33/40/30/201334030.db2.gz JMTZFAHRRSKBJO-SJPCQFCGSA-N 2 2 348.288 3.378 20 30 EGEDLP C[NH+](Cc1ccc(Br)cc1C#N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286809079 201334032 /nfs/dbraw/zinc/33/40/32/201334032.db2.gz JMTZFAHRRSKBJO-SJPCQFCGSA-N 2 2 348.288 3.378 20 30 EGEDLP N#Cc1ccc(C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C2CC2)cc1 ZINC000177059575 207289796 /nfs/dbraw/zinc/28/97/96/207289796.db2.gz MEXLFBAPNGHEPY-UHFFFAOYSA-N 2 2 329.407 3.304 20 30 EGEDLP N#Cc1ccc(C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C2CC2)cc1 ZINC000177059575 207289798 /nfs/dbraw/zinc/28/97/98/207289798.db2.gz MEXLFBAPNGHEPY-UHFFFAOYSA-N 2 2 329.407 3.304 20 30 EGEDLP CCC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCOCC1 ZINC000271916223 266014466 /nfs/dbraw/zinc/01/44/66/266014466.db2.gz ZAFXDPVDVOTXIU-UHFFFAOYSA-N 2 2 341.499 3.319 20 30 EGEDLP Cc1c[nH+]ccc1OC1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000278499840 268025573 /nfs/dbraw/zinc/02/55/73/268025573.db2.gz ACAZKSGLAXMHPY-UHFFFAOYSA-N 2 2 337.423 3.184 20 30 EGEDLP N#Cc1ccc(N2CCC([NH2+]CCCNc3cccc[nH+]3)CC2)cc1 ZINC000286131369 268107684 /nfs/dbraw/zinc/10/76/84/268107684.db2.gz OMNIVPZXAOWYLJ-UHFFFAOYSA-N 2 2 335.455 3.014 20 30 EGEDLP C[C@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)c1ccc(C#N)cc1 ZINC000176815227 323333407 /nfs/dbraw/zinc/33/34/07/323333407.db2.gz YIQRLDSVRICXGG-SFHVURJKSA-N 2 2 341.499 3.492 20 30 EGEDLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000181441757 455335566 /nfs/dbraw/zinc/33/55/66/455335566.db2.gz BFOPIOVHJGMFCY-LJQANCHMSA-N 2 2 348.494 3.421 20 30 EGEDLP N#CCCCOc1cccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093865888 454741584 /nfs/dbraw/zinc/74/15/84/454741584.db2.gz WQUHXFHCUWLECG-FQEVSTJZSA-N 2 2 337.423 3.417 20 30 EGEDLP N#CCCCOc1cccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093865888 454741586 /nfs/dbraw/zinc/74/15/86/454741586.db2.gz WQUHXFHCUWLECG-FQEVSTJZSA-N 2 2 337.423 3.417 20 30 EGEDLP COc1ccc(O)c(/C=[NH+]/CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000179703964 455068656 /nfs/dbraw/zinc/06/86/56/455068656.db2.gz BFFJRLRLFOQNJL-KGENOOAVSA-N 2 2 325.412 3.131 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3cccc(F)c3)CC2)cc1 ZINC000181419858 455332432 /nfs/dbraw/zinc/33/24/32/455332432.db2.gz PAUMDWQTHBWQJC-UHFFFAOYSA-N 2 2 337.442 3.494 20 30 EGEDLP Cc1cccc(N2CC[NH+](CCC[NH2+]CC(C)(C)CCC#N)CC2)c1 ZINC000174257236 455373688 /nfs/dbraw/zinc/37/36/88/455373688.db2.gz PAAJEYRUECLULY-UHFFFAOYSA-N 2 2 342.531 3.427 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]4OCC[C@H]43)CC2)cc1 ZINC000245949688 455406407 /nfs/dbraw/zinc/40/64/07/455406407.db2.gz WHUVVANWBZCBDS-HBMCJLEFSA-N 2 2 339.483 3.070 20 30 EGEDLP C[NH+](C)C1CC[NH+](CCNc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000267208420 455516399 /nfs/dbraw/zinc/51/63/99/455516399.db2.gz QCYJISPIHXLRKH-UHFFFAOYSA-N 2 2 340.393 3.015 20 30 EGEDLP C#CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246890217 455533415 /nfs/dbraw/zinc/53/34/15/455533415.db2.gz GLHUTUHCBBQYAU-XMSQKQJNSA-N 2 2 349.478 3.094 20 30 EGEDLP C#CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246890217 455533422 /nfs/dbraw/zinc/53/34/22/455533422.db2.gz GLHUTUHCBBQYAU-XMSQKQJNSA-N 2 2 349.478 3.094 20 30 EGEDLP C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000248905530 455738475 /nfs/dbraw/zinc/73/84/75/455738475.db2.gz YHKQNHCUNXMEMP-AEFFLSMTSA-N 2 2 338.455 3.166 20 30 EGEDLP C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000248905530 455738480 /nfs/dbraw/zinc/73/84/80/455738480.db2.gz YHKQNHCUNXMEMP-AEFFLSMTSA-N 2 2 338.455 3.166 20 30 EGEDLP CCOc1ccc(C[N@H+](CCCC#N)CCCn2cc[nH+]c2)cc1 ZINC000272578347 456000286 /nfs/dbraw/zinc/00/02/86/456000286.db2.gz DNUWYDDNNRBTGK-UHFFFAOYSA-N 2 2 326.444 3.478 20 30 EGEDLP CCOc1ccc(C[N@@H+](CCCC#N)CCCn2cc[nH+]c2)cc1 ZINC000272578347 456000287 /nfs/dbraw/zinc/00/02/87/456000287.db2.gz DNUWYDDNNRBTGK-UHFFFAOYSA-N 2 2 326.444 3.478 20 30 EGEDLP CCCCCCCCNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000303772998 456484727 /nfs/dbraw/zinc/48/47/27/456484727.db2.gz DZOSHNXFMODFLS-UHFFFAOYSA-N 2 2 328.464 3.032 20 30 EGEDLP Cc1ccc(CCC[N@@H+]2CCCN(c3ccccc3C#N)CC2)c[nH+]1 ZINC000353455819 456700513 /nfs/dbraw/zinc/70/05/13/456700513.db2.gz ASHVKVPGCVKMGP-UHFFFAOYSA-N 2 2 334.467 3.407 20 30 EGEDLP Cc1ccc(CCC[N@H+]2CCCN(c3ccccc3C#N)CC2)c[nH+]1 ZINC000353455819 456700518 /nfs/dbraw/zinc/70/05/18/456700518.db2.gz ASHVKVPGCVKMGP-UHFFFAOYSA-N 2 2 334.467 3.407 20 30 EGEDLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC000328823558 456769598 /nfs/dbraw/zinc/76/95/98/456769598.db2.gz RDCZRSCUZHXHNF-CQSZACIVSA-N 2 2 337.427 3.148 20 30 EGEDLP C[C@@H]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C[N@@H+]1Cc1ccccc1 ZINC000328985816 456807196 /nfs/dbraw/zinc/80/71/96/456807196.db2.gz ZUODTNDVRCZSSM-NJAFHUGGSA-N 2 2 338.455 3.065 20 30 EGEDLP C[C@@H]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C[N@H+]1Cc1ccccc1 ZINC000328985816 456807201 /nfs/dbraw/zinc/80/72/01/456807201.db2.gz ZUODTNDVRCZSSM-NJAFHUGGSA-N 2 2 338.455 3.065 20 30 EGEDLP C=CCc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc(OC)c1O ZINC000354077464 457046676 /nfs/dbraw/zinc/04/66/76/457046676.db2.gz DNXDBCISIYJCFZ-KRWDZBQOSA-N 2 2 344.499 3.293 20 30 EGEDLP C=CCc1cc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc(OC)c1O ZINC000354077464 457046679 /nfs/dbraw/zinc/04/66/79/457046679.db2.gz DNXDBCISIYJCFZ-KRWDZBQOSA-N 2 2 344.499 3.293 20 30 EGEDLP C=CCc1cc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc(OC)c1O ZINC000354077464 457046685 /nfs/dbraw/zinc/04/66/85/457046685.db2.gz DNXDBCISIYJCFZ-KRWDZBQOSA-N 2 2 344.499 3.293 20 30 EGEDLP C=CCc1cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc(OC)c1O ZINC000354077464 457046689 /nfs/dbraw/zinc/04/66/89/457046689.db2.gz DNXDBCISIYJCFZ-KRWDZBQOSA-N 2 2 344.499 3.293 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCN(c3cc[nH+]c4ccsc43)CC2)cc1 ZINC000360956906 457465292 /nfs/dbraw/zinc/46/52/92/457465292.db2.gz XDAWNDPANVZBKP-UHFFFAOYSA-N 2 2 334.448 3.490 20 30 EGEDLP Cc1ccc(CCC[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c[nH+]1 ZINC000361797785 457867557 /nfs/dbraw/zinc/86/75/57/457867557.db2.gz KMRWVGGBXGVBTH-OAQYLSRUSA-N 2 2 334.467 3.205 20 30 EGEDLP N#Cc1ccc(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000594956733 459192062 /nfs/dbraw/zinc/19/20/62/459192062.db2.gz ZXGPRZJIZURCFG-UHFFFAOYSA-N 2 2 344.462 3.227 20 30 EGEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000595102095 459245109 /nfs/dbraw/zinc/24/51/09/459245109.db2.gz JMMBBVJMFKFUAR-CTNGQTDRSA-N 2 2 339.483 3.169 20 30 EGEDLP COc1ccc(C#N)cc1C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595509146 459328839 /nfs/dbraw/zinc/32/88/39/459328839.db2.gz COWXITKVTIZXOQ-UHFFFAOYSA-N 2 2 335.451 3.321 20 30 EGEDLP C[N@H+](CCc1ccc(C#N)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000595521946 459333553 /nfs/dbraw/zinc/33/35/53/459333553.db2.gz HFALEUDNESVIEE-UHFFFAOYSA-N 2 2 339.405 3.449 20 30 EGEDLP C[N@@H+](CCc1ccc(C#N)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000595521946 459333555 /nfs/dbraw/zinc/33/35/55/459333555.db2.gz HFALEUDNESVIEE-UHFFFAOYSA-N 2 2 339.405 3.449 20 30 EGEDLP COCC1CCC([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000593691791 459952946 /nfs/dbraw/zinc/95/29/46/459952946.db2.gz LOHGGXKEQWURKZ-UHFFFAOYSA-N 2 2 341.499 3.317 20 30 EGEDLP COC[C@@H](CC(C)C)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593701613 459957743 /nfs/dbraw/zinc/95/77/43/459957743.db2.gz HBCYMMRLPHMXQR-HXUWFJFHSA-N 2 2 329.488 3.173 20 30 EGEDLP CCn1cc([C@H](C)[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)cn1 ZINC000593719876 459962846 /nfs/dbraw/zinc/96/28/46/459962846.db2.gz CXHYTUUHXGBRCA-INIZCTEOSA-N 2 2 337.471 3.090 20 30 EGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000602561992 459996768 /nfs/dbraw/zinc/99/67/68/459996768.db2.gz UNNZPULFKOBDJO-QUCCMNQESA-N 2 2 341.499 3.340 20 30 EGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000602561992 459996776 /nfs/dbraw/zinc/99/67/76/459996776.db2.gz UNNZPULFKOBDJO-QUCCMNQESA-N 2 2 341.499 3.340 20 30 EGEDLP CC(C)(C#N)C[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000598701350 460000396 /nfs/dbraw/zinc/00/03/96/460000396.db2.gz UKOLMOKOFTVOIJ-SFHVURJKSA-N 2 2 349.906 3.195 20 30 EGEDLP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000618808020 460183803 /nfs/dbraw/zinc/18/38/03/460183803.db2.gz YNQXKAVNDDVPNU-NRFANRHFSA-N 2 2 332.451 3.195 20 30 EGEDLP C=CCOc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000655857546 461506903 /nfs/dbraw/zinc/50/69/03/461506903.db2.gz VUGXLBMJKPZNJC-QZTJIDSGSA-N 2 2 330.472 3.367 20 30 EGEDLP C=CCOc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1OC ZINC000655857546 461506909 /nfs/dbraw/zinc/50/69/09/461506909.db2.gz VUGXLBMJKPZNJC-QZTJIDSGSA-N 2 2 330.472 3.367 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000177905266 526453665 /nfs/dbraw/zinc/45/36/65/526453665.db2.gz PGORSMYJUGRSNT-SFHVURJKSA-N 2 2 329.444 3.156 20 30 EGEDLP CC(=NNc1cc[nH+]c2ccccc12)c1cccc(OCC[NH+](C)C)c1 ZINC000730146446 574925478 /nfs/dbraw/zinc/92/54/78/574925478.db2.gz WPKHDEWNNOTHOJ-UHFFFAOYSA-N 2 2 348.450 3.433 20 30 EGEDLP Cc1ccc(CNC(Nc2ccccc2)=[NH+]CCn2cc[nH+]c2)cc1 ZINC000303793886 1296858779 /nfs/dbraw/zinc/85/87/79/1296858779.db2.gz ZXTNQZRAWGKKEM-UHFFFAOYSA-N 2 2 333.439 3.449 20 30 EGEDLP CCc1ccc(NC(=[NH2+])NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000303879591 1296864351 /nfs/dbraw/zinc/86/43/51/1296864351.db2.gz GRJGIAYSDJCNLR-GOSISDBHSA-N 2 2 328.435 3.418 20 30 EGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000392951321 1297662699 /nfs/dbraw/zinc/66/26/99/1297662699.db2.gz WHNMQHLVIXTIPF-LBPRGKRZSA-N 2 2 327.241 3.194 20 30 EGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000392951321 1297662706 /nfs/dbraw/zinc/66/27/06/1297662706.db2.gz WHNMQHLVIXTIPF-LBPRGKRZSA-N 2 2 327.241 3.194 20 30 EGEDLP C#CCOc1ccccc1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000775201109 1303923869 /nfs/dbraw/zinc/92/38/69/1303923869.db2.gz BWAATUFUSDLVER-UHFFFAOYSA-N 2 2 336.435 3.445 20 30 EGEDLP C[NH+]1CCN(c2cccc(Cl)c2C=[NH+]Nc2ccnc(F)c2)CC1 ZINC000781133274 1304776567 /nfs/dbraw/zinc/77/65/67/1304776567.db2.gz BIDPOTMNDKUHKA-UHFFFAOYSA-N 2 2 347.825 3.072 20 30 EGEDLP C[NH+](C)Cc1cnc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)s1 ZINC000897589017 1310397723 /nfs/dbraw/zinc/39/77/23/1310397723.db2.gz QKICIKZQPDSFKP-UHFFFAOYSA-N 2 2 340.496 3.456 20 30 EGEDLP N#Cc1ccc(Br)c(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000921577041 1322357001 /nfs/dbraw/zinc/35/70/01/1322357001.db2.gz DKAQGONJGVWARW-UHFFFAOYSA-N 2 2 333.233 3.087 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025227501 1324013976 /nfs/dbraw/zinc/01/39/76/1324013976.db2.gz QDXBEESVGIBQFF-ZWKOTPCHSA-N 2 2 344.503 3.154 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025227501 1324013980 /nfs/dbraw/zinc/01/39/80/1324013980.db2.gz QDXBEESVGIBQFF-ZWKOTPCHSA-N 2 2 344.503 3.154 20 30 EGEDLP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)c3c(C)cc(C)[nH+]c3C)C2)C1 ZINC000964455779 1325532915 /nfs/dbraw/zinc/53/29/15/1325532915.db2.gz WKPMVJYOLDLCSL-UHFFFAOYSA-N 2 2 347.890 3.390 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001008086563 1336766372 /nfs/dbraw/zinc/76/63/72/1336766372.db2.gz CWVFLHXIXDLEQP-SFHVURJKSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001008086563 1336766374 /nfs/dbraw/zinc/76/63/74/1336766374.db2.gz CWVFLHXIXDLEQP-SFHVURJKSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001009076455 1336963914 /nfs/dbraw/zinc/96/39/14/1336963914.db2.gz UIKOMWCRJAFZAU-SFHVURJKSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001009076455 1336963915 /nfs/dbraw/zinc/96/39/15/1336963915.db2.gz UIKOMWCRJAFZAU-SFHVURJKSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001042116070 1345948556 /nfs/dbraw/zinc/94/85/56/1345948556.db2.gz GPAQHJQCAAWBDW-KXBFYZLASA-N 2 2 338.455 3.066 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001042116070 1345948558 /nfs/dbraw/zinc/94/85/58/1345948558.db2.gz GPAQHJQCAAWBDW-KXBFYZLASA-N 2 2 338.455 3.066 20 30 EGEDLP C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053088318 1348912977 /nfs/dbraw/zinc/91/29/77/1348912977.db2.gz SPCSIVGPGHGCPB-MJGOQNOKSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053088318 1348912979 /nfs/dbraw/zinc/91/29/79/1348912979.db2.gz SPCSIVGPGHGCPB-MJGOQNOKSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053088318 1348912982 /nfs/dbraw/zinc/91/29/82/1348912982.db2.gz SPCSIVGPGHGCPB-MJGOQNOKSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053088318 1348912984 /nfs/dbraw/zinc/91/29/84/1348912984.db2.gz SPCSIVGPGHGCPB-MJGOQNOKSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053088317 1348913288 /nfs/dbraw/zinc/91/32/88/1348913288.db2.gz SPCSIVGPGHGCPB-IEBWSBKVSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053088317 1348913291 /nfs/dbraw/zinc/91/32/91/1348913291.db2.gz SPCSIVGPGHGCPB-IEBWSBKVSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053088317 1348913292 /nfs/dbraw/zinc/91/32/92/1348913292.db2.gz SPCSIVGPGHGCPB-IEBWSBKVSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053088317 1348913294 /nfs/dbraw/zinc/91/32/94/1348913294.db2.gz SPCSIVGPGHGCPB-IEBWSBKVSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001099264174 1363721607 /nfs/dbraw/zinc/72/16/07/1363721607.db2.gz OTGSNVUJLUYRIL-FUHWJXTLSA-N 2 2 346.519 3.161 20 30 EGEDLP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001099264174 1363721611 /nfs/dbraw/zinc/72/16/11/1363721611.db2.gz OTGSNVUJLUYRIL-FUHWJXTLSA-N 2 2 346.519 3.161 20 30 EGEDLP C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001099264174 1363721612 /nfs/dbraw/zinc/72/16/12/1363721612.db2.gz OTGSNVUJLUYRIL-FUHWJXTLSA-N 2 2 346.519 3.161 20 30 EGEDLP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001099264174 1363721616 /nfs/dbraw/zinc/72/16/16/1363721616.db2.gz OTGSNVUJLUYRIL-FUHWJXTLSA-N 2 2 346.519 3.161 20 30 EGEDLP CCCCCCC[NH2+]C1CC(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001101063638 1364397889 /nfs/dbraw/zinc/39/78/89/1364397889.db2.gz MAIMOIPBDULRGY-UHFFFAOYSA-N 2 2 334.508 3.118 20 30 EGEDLP C=C(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001101592323 1364643879 /nfs/dbraw/zinc/64/38/79/1364643879.db2.gz YIHLSKDLSAUXHE-UHFFFAOYSA-N 2 2 346.519 3.081 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102414778 1365045215 /nfs/dbraw/zinc/04/52/15/1365045215.db2.gz NKYDPGVQJQJWMQ-GUDVDZBRSA-N 2 2 348.535 3.489 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102414778 1365045218 /nfs/dbraw/zinc/04/52/18/1365045218.db2.gz NKYDPGVQJQJWMQ-GUDVDZBRSA-N 2 2 348.535 3.489 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001103290257 1365475634 /nfs/dbraw/zinc/47/56/34/1365475634.db2.gz GWBGKMUUOFVUTQ-RTBURBONSA-N 2 2 348.535 3.318 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001103290257 1365475636 /nfs/dbraw/zinc/47/56/36/1365475636.db2.gz GWBGKMUUOFVUTQ-RTBURBONSA-N 2 2 348.535 3.318 20 30 EGEDLP C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001104274864 1365974759 /nfs/dbraw/zinc/97/47/59/1365974759.db2.gz YMVLZROINUOGDW-QZTJIDSGSA-N 2 2 346.519 3.163 20 30 EGEDLP C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001104274864 1365974762 /nfs/dbraw/zinc/97/47/62/1365974762.db2.gz YMVLZROINUOGDW-QZTJIDSGSA-N 2 2 346.519 3.163 20 30 EGEDLP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001106279130 1366641629 /nfs/dbraw/zinc/64/16/29/1366641629.db2.gz ZUYMYKQQSARYGK-BRSBDYLESA-N 2 2 346.519 3.168 20 30 EGEDLP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001106279130 1366641632 /nfs/dbraw/zinc/64/16/32/1366641632.db2.gz ZUYMYKQQSARYGK-BRSBDYLESA-N 2 2 346.519 3.168 20 30 EGEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001106288790 1366644122 /nfs/dbraw/zinc/64/41/22/1366644122.db2.gz RLGMCJDPQLQXRW-QRVBRYPASA-N 2 2 346.519 3.121 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001109448244 1367127832 /nfs/dbraw/zinc/12/78/32/1367127832.db2.gz HCDQNQWWNBQPLJ-OVLVRJBISA-N 2 2 338.455 3.253 20 30 EGEDLP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001109448244 1367127837 /nfs/dbraw/zinc/12/78/37/1367127837.db2.gz HCDQNQWWNBQPLJ-OVLVRJBISA-N 2 2 338.455 3.253 20 30 EGEDLP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001108711949 1367550462 /nfs/dbraw/zinc/55/04/62/1367550462.db2.gz XKYGWPMTQPITSS-UAGQMJEPSA-N 2 2 338.455 3.112 20 30 EGEDLP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001111129560 1368163072 /nfs/dbraw/zinc/16/30/72/1368163072.db2.gz WWEFMTCTGQFZKG-AITUJVMLSA-N 2 2 346.519 3.280 20 30 EGEDLP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001111129560 1368163075 /nfs/dbraw/zinc/16/30/75/1368163075.db2.gz WWEFMTCTGQFZKG-AITUJVMLSA-N 2 2 346.519 3.280 20 30 EGEDLP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001111129560 1368163080 /nfs/dbraw/zinc/16/30/80/1368163080.db2.gz WWEFMTCTGQFZKG-AITUJVMLSA-N 2 2 346.519 3.280 20 30 EGEDLP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001111129560 1368163084 /nfs/dbraw/zinc/16/30/84/1368163084.db2.gz WWEFMTCTGQFZKG-AITUJVMLSA-N 2 2 346.519 3.280 20 30 EGEDLP CCCCCCC[N@@H+]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001196268574 1368580079 /nfs/dbraw/zinc/58/00/79/1368580079.db2.gz IIEDEEDPPBIQMS-UHFFFAOYSA-N 2 2 348.535 3.431 20 30 EGEDLP CCCCCCC[N@H+]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001196268574 1368580083 /nfs/dbraw/zinc/58/00/83/1368580083.db2.gz IIEDEEDPPBIQMS-UHFFFAOYSA-N 2 2 348.535 3.431 20 30 EGEDLP CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)C12CCC2 ZINC001202858120 1369910323 /nfs/dbraw/zinc/91/03/23/1369910323.db2.gz ZRKHFXALASPOEV-IRXDYDNUSA-N 2 2 346.519 3.330 20 30 EGEDLP CCCCCCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C12CCC2 ZINC001203660291 1370206404 /nfs/dbraw/zinc/20/64/04/1370206404.db2.gz PADXCRDKKALVQN-ZWKOTPCHSA-N 2 2 346.519 3.248 20 30 EGEDLP C=CCCCCC[NH2+]CC1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001206970030 1371252520 /nfs/dbraw/zinc/25/25/20/1371252520.db2.gz YDSREPJTSVPAEL-UHFFFAOYSA-N 2 2 346.519 3.238 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132090234 1375140183 /nfs/dbraw/zinc/14/01/83/1375140183.db2.gz FIWAXXSXDDBVTI-AEFFLSMTSA-N 2 2 334.508 3.282 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132090234 1375140186 /nfs/dbraw/zinc/14/01/86/1375140186.db2.gz FIWAXXSXDDBVTI-AEFFLSMTSA-N 2 2 334.508 3.282 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132090234 1375140188 /nfs/dbraw/zinc/14/01/88/1375140188.db2.gz FIWAXXSXDDBVTI-AEFFLSMTSA-N 2 2 334.508 3.282 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132090234 1375140191 /nfs/dbraw/zinc/14/01/91/1375140191.db2.gz FIWAXXSXDDBVTI-AEFFLSMTSA-N 2 2 334.508 3.282 20 30 EGEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001132131702 1375161974 /nfs/dbraw/zinc/16/19/74/1375161974.db2.gz IMLCSBOORVTGTG-ZBFHGGJFSA-N 2 2 326.444 3.112 20 30 EGEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001132131702 1375161976 /nfs/dbraw/zinc/16/19/76/1375161976.db2.gz IMLCSBOORVTGTG-ZBFHGGJFSA-N 2 2 326.444 3.112 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[C@H]1C ZINC001132457445 1375399995 /nfs/dbraw/zinc/39/99/95/1375399995.db2.gz LBNACVRXRWOOPG-QZTJIDSGSA-N 2 2 346.519 3.068 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[C@H]1C ZINC001132457445 1375399999 /nfs/dbraw/zinc/39/99/99/1375399999.db2.gz LBNACVRXRWOOPG-QZTJIDSGSA-N 2 2 346.519 3.068 20 30 EGEDLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(Oc4ccc(C#N)cc4)nc3)C2)C1 ZINC001139427932 1377883142 /nfs/dbraw/zinc/88/31/42/1377883142.db2.gz VQTYPMPZPGFYKU-OAQYLSRUSA-N 2 2 348.450 3.273 20 30 EGEDLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(Oc4ccc(C#N)cc4)nc3)C2)C1 ZINC001139427932 1377883148 /nfs/dbraw/zinc/88/31/48/1377883148.db2.gz VQTYPMPZPGFYKU-OAQYLSRUSA-N 2 2 348.450 3.273 20 30 EGEDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(Oc4ccc(C#N)cc4)nc3)C2)C1 ZINC001139427932 1377883154 /nfs/dbraw/zinc/88/31/54/1377883154.db2.gz VQTYPMPZPGFYKU-OAQYLSRUSA-N 2 2 348.450 3.273 20 30 EGEDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(Oc4ccc(C#N)cc4)nc3)C2)C1 ZINC001139427932 1377883159 /nfs/dbraw/zinc/88/31/59/1377883159.db2.gz VQTYPMPZPGFYKU-OAQYLSRUSA-N 2 2 348.450 3.273 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001147787914 1379078860 /nfs/dbraw/zinc/07/88/60/1379078860.db2.gz MQDWWNMAERNWQS-OAHLLOKOSA-N 2 2 338.455 3.066 20 30 EGEDLP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001147787914 1379078863 /nfs/dbraw/zinc/07/88/63/1379078863.db2.gz MQDWWNMAERNWQS-OAHLLOKOSA-N 2 2 338.455 3.066 20 30 EGEDLP CCCCCCC[N@@H+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001148357084 1379156103 /nfs/dbraw/zinc/15/61/03/1379156103.db2.gz BTZPCFYVIXEVAC-GOSISDBHSA-N 2 2 346.519 3.339 20 30 EGEDLP CCCCCCC[N@H+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001148357084 1379156104 /nfs/dbraw/zinc/15/61/04/1379156104.db2.gz BTZPCFYVIXEVAC-GOSISDBHSA-N 2 2 346.519 3.339 20 30 EGEDLP N#Cc1ccc(-c2cccs2)nc1-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155063904 1380401694 /nfs/dbraw/zinc/40/16/94/1380401694.db2.gz JHWPNPGCVUNCLK-UHFFFAOYSA-N 2 2 335.436 3.334 20 30 EGEDLP N#Cc1ccc2cc[nH+]c(NC[C@@H]3CCC4(CC[NH2+]CC4)CO3)c2c1 ZINC001155383230 1380444225 /nfs/dbraw/zinc/44/42/25/1380444225.db2.gz MUXPBIIHSVYKIL-KRWDZBQOSA-N 2 2 336.439 3.067 20 30 EGEDLP N#Cc1c[nH]c2cc[nH+]c(NC3CC[NH+](Cc4ccc(O)cc4)CC3)c12 ZINC001161136567 1382314473 /nfs/dbraw/zinc/31/44/73/1382314473.db2.gz HDFBNXSFSUWCKZ-UHFFFAOYSA-N 2 2 347.422 3.217 20 30 EGEDLP C=CCN1CC[NH+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168054813 1383805834 /nfs/dbraw/zinc/80/58/34/1383805834.db2.gz UGXMPTZDCQRCPX-RTBURBONSA-N 2 2 327.516 3.232 20 30 EGEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001170783730 1384384064 /nfs/dbraw/zinc/38/40/64/1384384064.db2.gz GDMZSRZJJSIVDB-HNNXBMFYSA-N 2 2 328.460 3.097 20 30 EGEDLP C=CCOC1CCC([NH2+]C2CC[NH+](Cc3ccc(O)cc3)CC2)CC1 ZINC001173316829 1384957188 /nfs/dbraw/zinc/95/71/88/1384957188.db2.gz NLXWISNCOZYDFD-UHFFFAOYSA-N 2 2 344.499 3.460 20 30 EGEDLP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001175207689 1385219675 /nfs/dbraw/zinc/21/96/75/1385219675.db2.gz ANSGAXYSMPVMQB-HOTGVXAUSA-N 2 2 332.492 3.060 20 30 EGEDLP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001175703510 1385378097 /nfs/dbraw/zinc/37/80/97/1385378097.db2.gz DLYQBPCCLJDQAP-KRWDZBQOSA-N 2 2 342.487 3.026 20 30 EGEDLP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001177431131 1385953655 /nfs/dbraw/zinc/95/36/55/1385953655.db2.gz LBTGUCQSFXYQRG-QGZVFWFLSA-N 2 2 332.492 3.019 20 30 EGEDLP C=CCCC[NH2+]CCCCCCNC(=O)c1cccc2[nH+]ccn21 ZINC001179009649 1386374921 /nfs/dbraw/zinc/37/49/21/1386374921.db2.gz KXSWBOLIGHUCBI-UHFFFAOYSA-N 2 2 328.460 3.180 20 30 EGEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC001179244823 1386431030 /nfs/dbraw/zinc/43/10/30/1386431030.db2.gz GCESLADHVSBWCJ-LPHOPBHVSA-N 2 2 338.455 3.031 20 30 EGEDLP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H]1C ZINC001179516721 1386504301 /nfs/dbraw/zinc/50/43/01/1386504301.db2.gz HTSUAKLRQLDSNY-BBWFWOEESA-N 2 2 346.519 3.379 20 30 EGEDLP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001715456904 1420137972 /nfs/dbraw/zinc/13/79/72/1420137972.db2.gz LSINXSNSFJFWMJ-KBPBESRZSA-N 2 2 346.862 3.146 20 30 EGEDLP C=C(Cl)C[NH2+]C[C@@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)(C)C ZINC001734559591 1438157830 /nfs/dbraw/zinc/15/78/30/1438157830.db2.gz CYPQEBXQWSMLRZ-OAHLLOKOSA-N 2 2 348.878 3.129 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+]1CCC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001752782900 1440209686 /nfs/dbraw/zinc/20/96/86/1440209686.db2.gz SZWBHZVDRFSZFV-IAGOWNOFSA-N 2 2 340.471 3.131 20 30 EGEDLP C=CCC[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001752782900 1440209687 /nfs/dbraw/zinc/20/96/87/1440209687.db2.gz SZWBHZVDRFSZFV-IAGOWNOFSA-N 2 2 340.471 3.131 20 30 EGEDLP C=CCCC[NH2+]C[C@@](C)(NC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001753519149 1440428232 /nfs/dbraw/zinc/42/82/32/1440428232.db2.gz XPPJFIBUCQNCOQ-HXUWFJFHSA-N 2 2 340.471 3.097 20 30 EGEDLP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001754540906 1440626173 /nfs/dbraw/zinc/62/61/73/1440626173.db2.gz KDKJNUAYISFBOH-QBUWPKIASA-N 2 2 344.503 3.302 20 30 EGEDLP C=CCC[C@H](C)[NH2+]C1CCC(N(C)C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001755275305 1440798760 /nfs/dbraw/zinc/79/87/60/1440798760.db2.gz SLVAOGXOHVXUHJ-HJOIGYKYSA-N 2 2 332.492 3.056 20 30 EGEDLP C=CCC[C@H](C)[NH2+]C1CCC(N(C)C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001755275305 1440798761 /nfs/dbraw/zinc/79/87/61/1440798761.db2.gz SLVAOGXOHVXUHJ-HJOIGYKYSA-N 2 2 332.492 3.056 20 30 EGEDLP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C(C)(C)C ZINC001755826172 1440927336 /nfs/dbraw/zinc/92/73/36/1440927336.db2.gz MGZIMUUDTLDZQX-IAGOWNOFSA-N 2 2 334.508 3.167 20 30 EGEDLP C#CC[NH+]1CCC(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000264811440 201212917 /nfs/dbraw/zinc/21/29/17/201212917.db2.gz SNNBMUSTIUKPCC-UHFFFAOYSA-N 2 2 335.407 3.158 20 30 EGEDLP COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246058867 243185055 /nfs/dbraw/zinc/18/50/55/243185055.db2.gz YCQIXDUQMXRODH-QFBILLFUSA-N 2 2 325.456 3.016 20 30 EGEDLP COc1cc(C#N)ccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246058867 243185063 /nfs/dbraw/zinc/18/50/63/243185063.db2.gz YCQIXDUQMXRODH-QFBILLFUSA-N 2 2 325.456 3.016 20 30 EGEDLP COc1cc(C#N)ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246058867 243185072 /nfs/dbraw/zinc/18/50/72/243185072.db2.gz YCQIXDUQMXRODH-QFBILLFUSA-N 2 2 325.456 3.016 20 30 EGEDLP COc1cc(C#N)ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246058867 243185081 /nfs/dbraw/zinc/18/50/81/243185081.db2.gz YCQIXDUQMXRODH-QFBILLFUSA-N 2 2 325.456 3.016 20 30 EGEDLP COC(C)(C)C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181823620 532965277 /nfs/dbraw/zinc/96/52/77/532965277.db2.gz QFHBMVXPKRNQSB-MRXNPFEDSA-N 2 2 329.488 3.316 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](CO)CC3CCCC3)CC2)cc1 ZINC000338025720 141076065 /nfs/dbraw/zinc/07/60/65/141076065.db2.gz YJGNYVXRGGPNIG-OAQYLSRUSA-N 2 2 341.499 3.053 20 30 EGEDLP C[NH+](C)CC1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000336843792 154217688 /nfs/dbraw/zinc/21/76/88/154217688.db2.gz XYEKZMBIGZVYDL-UHFFFAOYSA-N 2 2 336.277 3.094 20 30 EGEDLP Cn1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1C#N ZINC000365234671 157097239 /nfs/dbraw/zinc/09/72/39/157097239.db2.gz PBCWSFGLMUYXDW-JOCHJYFZSA-N 2 2 348.494 3.385 20 30 EGEDLP Cn1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1C#N ZINC000365234671 157097244 /nfs/dbraw/zinc/09/72/44/157097244.db2.gz PBCWSFGLMUYXDW-JOCHJYFZSA-N 2 2 348.494 3.385 20 30 EGEDLP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1C#N ZINC000365234671 157097249 /nfs/dbraw/zinc/09/72/49/157097249.db2.gz PBCWSFGLMUYXDW-JOCHJYFZSA-N 2 2 348.494 3.385 20 30 EGEDLP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1C#N ZINC000365234671 157097253 /nfs/dbraw/zinc/09/72/53/157097253.db2.gz PBCWSFGLMUYXDW-JOCHJYFZSA-N 2 2 348.494 3.385 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3cccc(C#N)c3)CC2)cc1 ZINC000366975013 168163724 /nfs/dbraw/zinc/16/37/24/168163724.db2.gz UWTAHNLSYACYEB-UHFFFAOYSA-N 2 2 344.462 3.227 20 30 EGEDLP CC(C)[C@@H](O)C(C)(C)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271870399 266741030 /nfs/dbraw/zinc/74/10/30/266741030.db2.gz MNXJZTKPAWNYIW-HXUWFJFHSA-N 2 2 343.515 3.155 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCOC4(CCC4)C3)CC2)cc1 ZINC000271875976 268065482 /nfs/dbraw/zinc/06/54/82/268065482.db2.gz OAUMKIJOZQNEBG-FQEVSTJZSA-N 2 2 339.483 3.214 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(Br)c1 ZINC000272583255 268065560 /nfs/dbraw/zinc/06/55/60/268065560.db2.gz RYSMSIWUFPFLIW-UHFFFAOYSA-N 2 2 345.244 3.423 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC[C@@H](O)c3ccccc3)CC2)cc1 ZINC000289181689 268066039 /nfs/dbraw/zinc/06/60/39/268066039.db2.gz AORQRDDFIZADGY-JOCHJYFZSA-N 2 2 349.478 3.236 20 30 EGEDLP CO[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000181551682 455354508 /nfs/dbraw/zinc/35/45/08/455354508.db2.gz FMFAXWREUYMLPW-QFIPXVFZSA-N 2 2 349.478 3.500 20 30 EGEDLP Cc1ccccc1OCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181607092 455362184 /nfs/dbraw/zinc/36/21/84/455362184.db2.gz QOHZLZTUSMLZSU-UHFFFAOYSA-N 2 2 349.478 3.500 20 30 EGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1OC ZINC000093597669 454722554 /nfs/dbraw/zinc/72/25/54/454722554.db2.gz IKNLBOWANNCUHJ-GOSISDBHSA-N 2 2 330.472 3.178 20 30 EGEDLP C=CCOc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1OC ZINC000093597669 454722557 /nfs/dbraw/zinc/72/25/57/454722557.db2.gz IKNLBOWANNCUHJ-GOSISDBHSA-N 2 2 330.472 3.178 20 30 EGEDLP C=CCc1cc(C[NH+]2CC[C@H](C[N@@H+](C)CCC)C2)cc(OC)c1O ZINC000093742114 454731948 /nfs/dbraw/zinc/73/19/48/454731948.db2.gz BRZFHURYWZDQCH-MRXNPFEDSA-N 2 2 332.488 3.293 20 30 EGEDLP C=CCc1cc(C[NH+]2CC[C@H](C[N@H+](C)CCC)C2)cc(OC)c1O ZINC000093742114 454731950 /nfs/dbraw/zinc/73/19/50/454731950.db2.gz BRZFHURYWZDQCH-MRXNPFEDSA-N 2 2 332.488 3.293 20 30 EGEDLP C=CCc1cc(C[N@H+]2CC[C@H](C[NH+](C)CCC)C2)cc(OC)c1O ZINC000093742114 454731952 /nfs/dbraw/zinc/73/19/52/454731952.db2.gz BRZFHURYWZDQCH-MRXNPFEDSA-N 2 2 332.488 3.293 20 30 EGEDLP C=CCc1cc(C[N@@H+]2CC[C@H](C[NH+](C)CCC)C2)cc(OC)c1O ZINC000093742114 454731958 /nfs/dbraw/zinc/73/19/58/454731958.db2.gz BRZFHURYWZDQCH-MRXNPFEDSA-N 2 2 332.488 3.293 20 30 EGEDLP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1OCCCC#N ZINC000147163828 454863233 /nfs/dbraw/zinc/86/32/33/454863233.db2.gz XKHGYYKQDFQXIG-ZWKOTPCHSA-N 2 2 343.471 3.094 20 30 EGEDLP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1OCCCC#N ZINC000147163828 454863235 /nfs/dbraw/zinc/86/32/35/454863235.db2.gz XKHGYYKQDFQXIG-ZWKOTPCHSA-N 2 2 343.471 3.094 20 30 EGEDLP COc1cccc(/C=[NH+]/CC2CCN(c3cc[nH+]cc3)CC2)c1O ZINC000179703942 455068701 /nfs/dbraw/zinc/06/87/01/455068701.db2.gz JQKHWDXKYWRNKI-KGENOOAVSA-N 2 2 325.412 3.131 20 30 EGEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180258032 455152399 /nfs/dbraw/zinc/15/23/99/455152399.db2.gz QKMYHJVDZOGSRN-UXHICEINSA-N 2 2 349.482 3.017 20 30 EGEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180258032 455152400 /nfs/dbraw/zinc/15/24/00/455152400.db2.gz QKMYHJVDZOGSRN-UXHICEINSA-N 2 2 349.482 3.017 20 30 EGEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180258032 455152402 /nfs/dbraw/zinc/15/24/02/455152402.db2.gz QKMYHJVDZOGSRN-UXHICEINSA-N 2 2 349.482 3.017 20 30 EGEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180258032 455152403 /nfs/dbraw/zinc/15/24/03/455152403.db2.gz QKMYHJVDZOGSRN-UXHICEINSA-N 2 2 349.482 3.017 20 30 EGEDLP N#Cc1ccc(F)cc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182983909 455203609 /nfs/dbraw/zinc/20/36/09/455203609.db2.gz ZNJSLGVTSVYOQV-UHFFFAOYSA-N 2 2 345.462 3.022 20 30 EGEDLP CO[C@@]1(C)C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000181844388 455389011 /nfs/dbraw/zinc/38/90/11/455389011.db2.gz VFRGHXYBVOOYNE-CTNGQTDRSA-N 2 2 341.499 3.316 20 30 EGEDLP Cc1cc(N2CC[NH+](CCCC(C)(C)C#N)CC2)nc(C(C)C)[nH+]1 ZINC000174812727 455415226 /nfs/dbraw/zinc/41/52/26/455415226.db2.gz GEAGOOOGCSKZDA-UHFFFAOYSA-N 2 2 329.492 3.360 20 30 EGEDLP Cc1cnc([C@@H](C)[NH2+]CC#CC[NH2+][C@H](C)c2ncc(C)s2)s1 ZINC000284186723 455648370 /nfs/dbraw/zinc/64/83/70/455648370.db2.gz RQVZIUFZYDNNND-ZIAGYGMSSA-N 2 2 334.514 3.221 20 30 EGEDLP COCC1(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000292868286 455763702 /nfs/dbraw/zinc/76/37/02/455763702.db2.gz CZZPNHQDQYFTQC-UHFFFAOYSA-N 2 2 341.499 3.319 20 30 EGEDLP C#CCOc1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000294688048 455823612 /nfs/dbraw/zinc/82/36/12/455823612.db2.gz ALRLEMVFJBAQOJ-UHFFFAOYSA-N 2 2 340.389 3.205 20 30 EGEDLP CCC(CC)n1ccc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)n1 ZINC000269336026 455837652 /nfs/dbraw/zinc/83/76/52/455837652.db2.gz NWJNPDMOPBQWAW-UHFFFAOYSA-N 2 2 343.475 3.143 20 30 EGEDLP COc1cccc([C@H](CNC(=[NH2+])Nc2cc(F)ccc2F)[NH+](C)C)c1 ZINC000288756721 456104883 /nfs/dbraw/zinc/10/48/83/456104883.db2.gz RPPWZPVLLFPIIW-KRWDZBQOSA-N 2 2 348.397 3.003 20 30 EGEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3cccc(Cl)c3C#N)CC2)CC1 ZINC000297527607 456243453 /nfs/dbraw/zinc/24/34/53/456243453.db2.gz OYBDKSNQIXMLIJ-UHFFFAOYSA-N 2 2 346.906 3.206 20 30 EGEDLP N#CCC[C@H](C#N)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000360617669 457321361 /nfs/dbraw/zinc/32/13/61/457321361.db2.gz HWYODPODUFYBKM-NHCUHLMSSA-N 2 2 336.483 3.418 20 30 EGEDLP N#CCC[C@H](C#N)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000360617669 457321366 /nfs/dbraw/zinc/32/13/66/457321366.db2.gz HWYODPODUFYBKM-NHCUHLMSSA-N 2 2 336.483 3.418 20 30 EGEDLP N#CCC[C@H](C#N)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000360617669 457321373 /nfs/dbraw/zinc/32/13/73/457321373.db2.gz HWYODPODUFYBKM-NHCUHLMSSA-N 2 2 336.483 3.418 20 30 EGEDLP N#CCC[C@H](C#N)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000360617669 457321381 /nfs/dbraw/zinc/32/13/81/457321381.db2.gz HWYODPODUFYBKM-NHCUHLMSSA-N 2 2 336.483 3.418 20 30 EGEDLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000358137577 457807874 /nfs/dbraw/zinc/80/78/74/457807874.db2.gz HJVXDGDHGHVOTR-HJZRJOMTSA-N 2 2 327.472 3.178 20 30 EGEDLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000358137577 457807880 /nfs/dbraw/zinc/80/78/80/457807880.db2.gz HJVXDGDHGHVOTR-HJZRJOMTSA-N 2 2 327.472 3.178 20 30 EGEDLP C=CCc1cc(C[NH2+]C[C@H]([NH3+])c2ccccc2CC)cc(OC)c1O ZINC000415044785 458327403 /nfs/dbraw/zinc/32/74/03/458327403.db2.gz BYGGLEQRNQUTSW-IBGZPJMESA-N 2 2 340.467 3.481 20 30 EGEDLP CO[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)CC(C)C ZINC000417383181 458362322 /nfs/dbraw/zinc/36/23/22/458362322.db2.gz WWLYHLQOCKCOAD-HXUWFJFHSA-N 2 2 329.488 3.173 20 30 EGEDLP CC(C)CC[N@H+](CCC#N)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420915454 458403785 /nfs/dbraw/zinc/40/37/85/458403785.db2.gz LUNMVGHOBFJMEB-UHFFFAOYSA-N 2 2 329.488 3.281 20 30 EGEDLP CC(C)CC[N@@H+](CCC#N)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420915454 458403791 /nfs/dbraw/zinc/40/37/91/458403791.db2.gz LUNMVGHOBFJMEB-UHFFFAOYSA-N 2 2 329.488 3.281 20 30 EGEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000437245708 458438933 /nfs/dbraw/zinc/43/89/33/458438933.db2.gz LERPFJWGNHGDRW-WLRLJWMZSA-N 2 2 328.500 3.468 20 30 EGEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000437245708 458438936 /nfs/dbraw/zinc/43/89/36/458438936.db2.gz LERPFJWGNHGDRW-WLRLJWMZSA-N 2 2 328.500 3.468 20 30 EGEDLP N#Cc1cccc(C2([NH2+]C3CC[NH+](Cc4ccncc4)CC3)CC2)c1 ZINC000560258883 459316715 /nfs/dbraw/zinc/31/67/15/459316715.db2.gz IAAVAMLXRGEHEW-UHFFFAOYSA-N 2 2 332.451 3.197 20 30 EGEDLP C#C[C@@H](Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)c1ccc(F)cc1 ZINC000491683361 459653603 /nfs/dbraw/zinc/65/36/03/459653603.db2.gz XZVRBWBQTGILMD-QGZVFWFLSA-N 2 2 344.353 3.136 20 30 EGEDLP COC1CCC([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000593701099 459957639 /nfs/dbraw/zinc/95/76/39/459957639.db2.gz DMELQMBYQXCRIK-UHFFFAOYSA-N 2 2 327.472 3.070 20 30 EGEDLP N#Cc1cccc(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000602514661 459977479 /nfs/dbraw/zinc/97/74/79/459977479.db2.gz UFWVXUOUHAIQRP-UHFFFAOYSA-N 2 2 340.858 3.361 20 30 EGEDLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cccc(C#N)n1 ZINC000602572142 460002779 /nfs/dbraw/zinc/00/27/79/460002779.db2.gz YBIOFEIKLPWIBP-IRXDYDNUSA-N 2 2 334.467 3.199 20 30 EGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000602615441 460024533 /nfs/dbraw/zinc/02/45/33/460024533.db2.gz CPCSMAKCAMUPLG-GGPKGHCWSA-N 2 2 341.499 3.195 20 30 EGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000602615441 460024539 /nfs/dbraw/zinc/02/45/39/460024539.db2.gz CPCSMAKCAMUPLG-GGPKGHCWSA-N 2 2 341.499 3.195 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652354353 461150350 /nfs/dbraw/zinc/15/03/50/461150350.db2.gz URLFNSDYHZAIJA-WBVHZDCISA-N 2 2 347.528 3.353 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652354353 461150359 /nfs/dbraw/zinc/15/03/59/461150359.db2.gz URLFNSDYHZAIJA-WBVHZDCISA-N 2 2 347.528 3.353 20 30 EGEDLP C=CCc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc(OC)c1O ZINC000655855999 461504276 /nfs/dbraw/zinc/50/42/76/461504276.db2.gz KHWYMEURSANPDF-ZWKOTPCHSA-N 2 2 330.472 3.236 20 30 EGEDLP C=CCc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc(OC)c1O ZINC000655855999 461504281 /nfs/dbraw/zinc/50/42/81/461504281.db2.gz KHWYMEURSANPDF-ZWKOTPCHSA-N 2 2 330.472 3.236 20 30 EGEDLP C=CCCn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)nn1 ZINC000657374872 462080661 /nfs/dbraw/zinc/08/06/61/462080661.db2.gz TZQSZNONMNTDAM-YJBOKZPZSA-N 2 2 345.516 3.088 20 30 EGEDLP C=CCCn1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)nn1 ZINC000657374872 462080669 /nfs/dbraw/zinc/08/06/69/462080669.db2.gz TZQSZNONMNTDAM-YJBOKZPZSA-N 2 2 345.516 3.088 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H](c2ccc(OC)cc2)c2ccccn2)CC1 ZINC000652151140 462452875 /nfs/dbraw/zinc/45/28/75/462452875.db2.gz KEZNYEWIZUTGOI-OAQYLSRUSA-N 2 2 337.467 3.420 20 30 EGEDLP C#CC[NH+]1CCC[C@H]1C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000730098059 574919795 /nfs/dbraw/zinc/91/97/95/574919795.db2.gz SXPTVXJKAJNFHU-PXNSSMCTSA-N 2 2 339.483 3.097 20 30 EGEDLP C#CC[NH+]1CCC[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000730098059 574919797 /nfs/dbraw/zinc/91/97/97/574919797.db2.gz SXPTVXJKAJNFHU-PXNSSMCTSA-N 2 2 339.483 3.097 20 30 EGEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000730098059 574919800 /nfs/dbraw/zinc/91/98/00/574919800.db2.gz SXPTVXJKAJNFHU-PXNSSMCTSA-N 2 2 339.483 3.097 20 30 EGEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000730098059 574919803 /nfs/dbraw/zinc/91/98/03/574919803.db2.gz SXPTVXJKAJNFHU-PXNSSMCTSA-N 2 2 339.483 3.097 20 30 EGEDLP CCC[N@H+](C)C[C@H]1CC[NH+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000743393399 576808107 /nfs/dbraw/zinc/80/81/07/576808107.db2.gz QCCPPNKPSNACAN-GOSISDBHSA-N 2 2 337.471 3.043 20 30 EGEDLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000743393399 576808108 /nfs/dbraw/zinc/80/81/08/576808108.db2.gz QCCPPNKPSNACAN-GOSISDBHSA-N 2 2 337.471 3.043 20 30 EGEDLP CCC[NH+](C)C[C@H]1CC[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000743393399 576808109 /nfs/dbraw/zinc/80/81/09/576808109.db2.gz QCCPPNKPSNACAN-GOSISDBHSA-N 2 2 337.471 3.043 20 30 EGEDLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000743393399 576808110 /nfs/dbraw/zinc/80/81/10/576808110.db2.gz QCCPPNKPSNACAN-GOSISDBHSA-N 2 2 337.471 3.043 20 30 EGEDLP CCc1ccc(NC(=[NH2+])NC[C@H](C(CC)CC)[NH+]2CCOCC2)cc1 ZINC000303792467 1296858179 /nfs/dbraw/zinc/85/81/79/1296858179.db2.gz YOAAHKVESHQHFF-LJQANCHMSA-N 2 2 346.519 3.113 20 30 EGEDLP CCC[N@H+](C)C[C@H]1CC[NH+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878159720 1299785712 /nfs/dbraw/zinc/78/57/12/1299785712.db2.gz SKWWYKXCTYFONK-CTNGQTDRSA-N 2 2 341.499 3.091 20 30 EGEDLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878159720 1299785717 /nfs/dbraw/zinc/78/57/17/1299785717.db2.gz SKWWYKXCTYFONK-CTNGQTDRSA-N 2 2 341.499 3.091 20 30 EGEDLP CCC[NH+](C)C[C@H]1CC[N@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878159720 1299785724 /nfs/dbraw/zinc/78/57/24/1299785724.db2.gz SKWWYKXCTYFONK-CTNGQTDRSA-N 2 2 341.499 3.091 20 30 EGEDLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878159720 1299785733 /nfs/dbraw/zinc/78/57/33/1299785733.db2.gz SKWWYKXCTYFONK-CTNGQTDRSA-N 2 2 341.499 3.091 20 30 EGEDLP C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)c3c(C)cc(C)[nH+]c3C)C2)C1 ZINC000961207514 1319332878 /nfs/dbraw/zinc/33/28/78/1319332878.db2.gz GJQYKLGCXLYQOV-OALUTQOASA-N 2 2 341.499 3.367 20 30 EGEDLP C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)c3c(C)cc(C)[nH+]c3C)C2)C1 ZINC000961207514 1319332886 /nfs/dbraw/zinc/33/28/86/1319332886.db2.gz GJQYKLGCXLYQOV-OALUTQOASA-N 2 2 341.499 3.367 20 30 EGEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817943563 1319469756 /nfs/dbraw/zinc/46/97/56/1319469756.db2.gz VMGYSBKCUVYLGW-HRAATJIYSA-N 2 2 337.467 3.115 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025227499 1324014083 /nfs/dbraw/zinc/01/40/83/1324014083.db2.gz QDXBEESVGIBQFF-QZTJIDSGSA-N 2 2 344.503 3.154 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025227499 1324014090 /nfs/dbraw/zinc/01/40/90/1324014090.db2.gz QDXBEESVGIBQFF-QZTJIDSGSA-N 2 2 344.503 3.154 20 30 EGEDLP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025289253 1324112499 /nfs/dbraw/zinc/11/24/99/1324112499.db2.gz PAGCHMZUSPKWPP-SJORKVTESA-N 2 2 344.503 3.109 20 30 EGEDLP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025289253 1324112503 /nfs/dbraw/zinc/11/25/03/1324112503.db2.gz PAGCHMZUSPKWPP-SJORKVTESA-N 2 2 344.503 3.109 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC000947450569 1333133428 /nfs/dbraw/zinc/13/34/28/1333133428.db2.gz WPGZQHLQHXVRFB-HOCLYGCPSA-N 2 2 326.444 3.112 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC000947450569 1333133432 /nfs/dbraw/zinc/13/34/32/1333133432.db2.gz WPGZQHLQHXVRFB-HOCLYGCPSA-N 2 2 326.444 3.112 20 30 EGEDLP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000947572891 1333176935 /nfs/dbraw/zinc/17/69/35/1333176935.db2.gz VFRXCYADNJWDRB-WMZOPIPTSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000947572891 1333176937 /nfs/dbraw/zinc/17/69/37/1333176937.db2.gz VFRXCYADNJWDRB-WMZOPIPTSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001016743011 1338709661 /nfs/dbraw/zinc/70/96/61/1338709661.db2.gz NULYSOPNUNSNHZ-KRWDZBQOSA-N 2 2 327.472 3.167 20 30 EGEDLP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034445324 1342505163 /nfs/dbraw/zinc/50/51/63/1342505163.db2.gz QTKFFDAASKZYRB-SFHVURJKSA-N 2 2 349.906 3.085 20 30 EGEDLP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034445324 1342505167 /nfs/dbraw/zinc/50/51/67/1342505167.db2.gz QTKFFDAASKZYRB-SFHVURJKSA-N 2 2 349.906 3.085 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@H]21 ZINC001036750228 1343673567 /nfs/dbraw/zinc/67/35/67/1343673567.db2.gz KFGWXHUYWZOJTO-DNVCBOLYSA-N 2 2 338.455 3.066 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@H]21 ZINC001036750228 1343673569 /nfs/dbraw/zinc/67/35/69/1343673569.db2.gz KFGWXHUYWZOJTO-DNVCBOLYSA-N 2 2 338.455 3.066 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@H]21 ZINC001036750229 1343673579 /nfs/dbraw/zinc/67/35/79/1343673579.db2.gz KFGWXHUYWZOJTO-HNAYVOBHSA-N 2 2 338.455 3.066 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@H]21 ZINC001036750229 1343673580 /nfs/dbraw/zinc/67/35/80/1343673580.db2.gz KFGWXHUYWZOJTO-HNAYVOBHSA-N 2 2 338.455 3.066 20 30 EGEDLP C=CCC[NH+]1CCC(C)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001045514454 1346614304 /nfs/dbraw/zinc/61/43/04/1346614304.db2.gz LNUKUSUSIYQLNK-UHFFFAOYSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001052381237 1348536997 /nfs/dbraw/zinc/53/69/97/1348536997.db2.gz MZPAMMAHNYAZFU-SFHVURJKSA-N 2 2 340.471 3.193 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001052381237 1348536998 /nfs/dbraw/zinc/53/69/98/1348536998.db2.gz MZPAMMAHNYAZFU-SFHVURJKSA-N 2 2 340.471 3.193 20 30 EGEDLP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC(C)(C)C1 ZINC001089384148 1360386291 /nfs/dbraw/zinc/38/62/91/1360386291.db2.gz AKIFOAUWVJHRHJ-QGZVFWFLSA-N 2 2 340.471 3.049 20 30 EGEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC(C)(C)C1 ZINC001089384148 1360386295 /nfs/dbraw/zinc/38/62/95/1360386295.db2.gz AKIFOAUWVJHRHJ-QGZVFWFLSA-N 2 2 340.471 3.049 20 30 EGEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089488909 1360468513 /nfs/dbraw/zinc/46/85/13/1360468513.db2.gz ZVUHPHRPFBDIPU-HZPDHXFCSA-N 2 2 344.503 3.013 20 30 EGEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089488909 1360468515 /nfs/dbraw/zinc/46/85/15/1360468515.db2.gz ZVUHPHRPFBDIPU-HZPDHXFCSA-N 2 2 344.503 3.013 20 30 EGEDLP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001099117086 1363632817 /nfs/dbraw/zinc/63/28/17/1363632817.db2.gz ZKNFVTPVZKUSBR-ROUUACIJSA-N 2 2 346.519 3.263 20 30 EGEDLP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001099117086 1363632821 /nfs/dbraw/zinc/63/28/21/1363632821.db2.gz ZKNFVTPVZKUSBR-ROUUACIJSA-N 2 2 346.519 3.263 20 30 EGEDLP C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001099264176 1363721717 /nfs/dbraw/zinc/72/17/17/1363721717.db2.gz OTGSNVUJLUYRIL-WMZOPIPTSA-N 2 2 346.519 3.161 20 30 EGEDLP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001099264176 1363721719 /nfs/dbraw/zinc/72/17/19/1363721719.db2.gz OTGSNVUJLUYRIL-WMZOPIPTSA-N 2 2 346.519 3.161 20 30 EGEDLP C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001099264176 1363721722 /nfs/dbraw/zinc/72/17/22/1363721722.db2.gz OTGSNVUJLUYRIL-WMZOPIPTSA-N 2 2 346.519 3.161 20 30 EGEDLP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001099264176 1363721724 /nfs/dbraw/zinc/72/17/24/1363721724.db2.gz OTGSNVUJLUYRIL-WMZOPIPTSA-N 2 2 346.519 3.161 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001103677093 1365722830 /nfs/dbraw/zinc/72/28/30/1365722830.db2.gz KNBSEYGLPDARHW-SJLPKXTDSA-N 2 2 346.519 3.081 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001103677093 1365722833 /nfs/dbraw/zinc/72/28/33/1365722833.db2.gz KNBSEYGLPDARHW-SJLPKXTDSA-N 2 2 346.519 3.081 20 30 EGEDLP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001106748190 1366787770 /nfs/dbraw/zinc/78/77/70/1366787770.db2.gz NEQJHESGRQWSKA-KZNAEPCWSA-N 2 2 348.535 3.243 20 30 EGEDLP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106748190 1366787771 /nfs/dbraw/zinc/78/77/71/1366787771.db2.gz NEQJHESGRQWSKA-KZNAEPCWSA-N 2 2 348.535 3.243 20 30 EGEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001106874309 1366821152 /nfs/dbraw/zinc/82/11/52/1366821152.db2.gz CBTMLWWPFYHNSD-IAGOWNOFSA-N 2 2 346.519 3.118 20 30 EGEDLP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1c(C)cc(C)[nH+]c1C)C2 ZINC001108730507 1367562612 /nfs/dbraw/zinc/56/26/12/1367562612.db2.gz QFHQRGQHQXDHLC-BZSNNMDCSA-N 2 2 327.472 3.166 20 30 EGEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001110699207 1367937092 /nfs/dbraw/zinc/93/70/92/1367937092.db2.gz GSMYPYBUNIUORR-YRXWBPOGSA-N 2 2 344.503 3.158 20 30 EGEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001110699207 1367937094 /nfs/dbraw/zinc/93/70/94/1367937094.db2.gz GSMYPYBUNIUORR-YRXWBPOGSA-N 2 2 344.503 3.158 20 30 EGEDLP CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C12CCC2 ZINC001203660290 1370206731 /nfs/dbraw/zinc/20/67/31/1370206731.db2.gz PADXCRDKKALVQN-ROUUACIJSA-N 2 2 346.519 3.248 20 30 EGEDLP C=C(C)CC[NH2+]C1(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CCCCC1 ZINC001115592118 1370593156 /nfs/dbraw/zinc/59/31/56/1370593156.db2.gz UBQQCTRDSMJZQM-UHFFFAOYSA-N 2 2 346.519 3.302 20 30 EGEDLP CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)cc1 ZINC001204904294 1370601469 /nfs/dbraw/zinc/60/14/69/1370601469.db2.gz NSZMTQGLENHFJB-HXUWFJFHSA-N 2 2 332.451 3.249 20 30 EGEDLP CN(c1ccc(C#N)cc1)c1ccc(C[N@H+]2C[C@@H]([NH3+])C3(CC3)C2)cc1 ZINC001204904294 1370601474 /nfs/dbraw/zinc/60/14/74/1370601474.db2.gz NSZMTQGLENHFJB-HXUWFJFHSA-N 2 2 332.451 3.249 20 30 EGEDLP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001208551874 1371813625 /nfs/dbraw/zinc/81/36/25/1371813625.db2.gz PUXPIOTTWNJRCV-QGZVFWFLSA-N 2 2 340.471 3.275 20 30 EGEDLP Cc1nc(O[C@H]2CC[C@H](C)[NH2+]C2)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001218406377 1373608794 /nfs/dbraw/zinc/60/87/94/1373608794.db2.gz NNJKVPUCYDWVTM-GUYCJALGSA-N 2 2 347.422 3.096 20 30 EGEDLP N#Cc1cccc(C[N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)n1 ZINC001232926294 1376538253 /nfs/dbraw/zinc/53/82/53/1376538253.db2.gz HMJLZSGLUBLHEK-XHIHJMKYSA-N 2 2 348.494 3.348 20 30 EGEDLP N#Cc1cccc(C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)n1 ZINC001232926294 1376538259 /nfs/dbraw/zinc/53/82/59/1376538259.db2.gz HMJLZSGLUBLHEK-XHIHJMKYSA-N 2 2 348.494 3.348 20 30 EGEDLP N#Cc1cccc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)n1 ZINC001232926294 1376538265 /nfs/dbraw/zinc/53/82/65/1376538265.db2.gz HMJLZSGLUBLHEK-XHIHJMKYSA-N 2 2 348.494 3.348 20 30 EGEDLP N#Cc1cccc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)n1 ZINC001232926294 1376538270 /nfs/dbraw/zinc/53/82/70/1376538270.db2.gz HMJLZSGLUBLHEK-XHIHJMKYSA-N 2 2 348.494 3.348 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001189261259 1388499475 /nfs/dbraw/zinc/49/94/75/1388499475.db2.gz MYDRDYPIOPNENN-GBESFXJTSA-N 2 2 344.503 3.113 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001189261259 1388499481 /nfs/dbraw/zinc/49/94/81/1388499481.db2.gz MYDRDYPIOPNENN-GBESFXJTSA-N 2 2 344.503 3.113 20 30 EGEDLP C[N@H+](Cc1ccc(OCC#N)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001137121506 1377482117 /nfs/dbraw/zinc/48/21/17/1377482117.db2.gz OQWXVYQKYGLSBR-UHFFFAOYSA-N 2 2 332.407 3.407 20 30 EGEDLP C[N@@H+](Cc1ccc(OCC#N)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001137121506 1377482118 /nfs/dbraw/zinc/48/21/18/1377482118.db2.gz OQWXVYQKYGLSBR-UHFFFAOYSA-N 2 2 332.407 3.407 20 30 EGEDLP C=CCc1cccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)c1O ZINC001138626848 1377756250 /nfs/dbraw/zinc/75/62/50/1377756250.db2.gz QGTDAJOIQNGNPU-WOJBJXKFSA-N 2 2 349.478 3.080 20 30 EGEDLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1C#N ZINC001139724786 1377941347 /nfs/dbraw/zinc/94/13/47/1377941347.db2.gz PWLAYDVKVMLUQZ-KDURUIRLSA-N 2 2 337.492 3.492 20 30 EGEDLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1C#N ZINC001139724786 1377941350 /nfs/dbraw/zinc/94/13/50/1377941350.db2.gz PWLAYDVKVMLUQZ-KDURUIRLSA-N 2 2 337.492 3.492 20 30 EGEDLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cc1C#N ZINC001139724786 1377941351 /nfs/dbraw/zinc/94/13/51/1377941351.db2.gz PWLAYDVKVMLUQZ-KDURUIRLSA-N 2 2 337.492 3.492 20 30 EGEDLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)cc1C#N ZINC001139724786 1377941353 /nfs/dbraw/zinc/94/13/53/1377941353.db2.gz PWLAYDVKVMLUQZ-KDURUIRLSA-N 2 2 337.492 3.492 20 30 EGEDLP N#Cc1ccc2[nH]cc(C[NH+]3CCC(Oc4cc[nH+]cc4)CC3)c2c1 ZINC001140109914 1378009682 /nfs/dbraw/zinc/00/96/82/1378009682.db2.gz AANZEAHYNSCEPP-UHFFFAOYSA-N 2 2 332.407 3.478 20 30 EGEDLP C[N@H+](Cc1ccc(F)cc1)C1CCN(c2cc(CC#N)cc[nH+]2)CC1 ZINC001157074808 1380768717 /nfs/dbraw/zinc/76/87/17/1380768717.db2.gz RSOFHBNMRHPUMS-UHFFFAOYSA-N 2 2 338.430 3.388 20 30 EGEDLP C[N@@H+](Cc1ccc(F)cc1)C1CCN(c2cc(CC#N)cc[nH+]2)CC1 ZINC001157074808 1380768721 /nfs/dbraw/zinc/76/87/21/1380768721.db2.gz RSOFHBNMRHPUMS-UHFFFAOYSA-N 2 2 338.430 3.388 20 30 EGEDLP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001158128913 1381136491 /nfs/dbraw/zinc/13/64/91/1381136491.db2.gz SNAAXLUQEPTRBK-MRXNPFEDSA-N 2 2 326.444 3.066 20 30 EGEDLP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001158128913 1381136503 /nfs/dbraw/zinc/13/65/03/1381136503.db2.gz SNAAXLUQEPTRBK-MRXNPFEDSA-N 2 2 326.444 3.066 20 30 EGEDLP C=C(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001158468338 1381253790 /nfs/dbraw/zinc/25/37/90/1381253790.db2.gz SVVWORUHBNRCEJ-SJORKVTESA-N 2 2 344.503 3.109 20 30 EGEDLP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001158468338 1381253795 /nfs/dbraw/zinc/25/37/95/1381253795.db2.gz SVVWORUHBNRCEJ-SJORKVTESA-N 2 2 344.503 3.109 20 30 EGEDLP C=C(C)CC[N@H+]1CC=C(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001160491509 1382120611 /nfs/dbraw/zinc/12/06/11/1382120611.db2.gz FUKKFDQYLFNYDB-UHFFFAOYSA-N 2 2 338.455 3.281 20 30 EGEDLP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001160491509 1382120615 /nfs/dbraw/zinc/12/06/15/1382120615.db2.gz FUKKFDQYLFNYDB-UHFFFAOYSA-N 2 2 338.455 3.281 20 30 EGEDLP C[C@H](Cc1cccc(C#N)c1)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001171189638 1384464876 /nfs/dbraw/zinc/46/48/76/1384464876.db2.gz IBOWNNAGUIICCO-QGZVFWFLSA-N 2 2 334.467 3.390 20 30 EGEDLP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001171476422 1384534079 /nfs/dbraw/zinc/53/40/79/1384534079.db2.gz UXOKUVAYGNIAOU-INIZCTEOSA-N 2 2 334.508 3.157 20 30 EGEDLP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001172298713 1384763090 /nfs/dbraw/zinc/76/30/90/1384763090.db2.gz CWCWOKMJNSLXGX-KRWDZBQOSA-N 2 2 334.467 3.390 20 30 EGEDLP COc1ccc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)cc1C#N ZINC001319823515 1386318925 /nfs/dbraw/zinc/31/89/25/1386318925.db2.gz OFMFTZRUGGCFNC-GOSISDBHSA-N 2 2 336.439 3.347 20 30 EGEDLP COc1ccc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)cc1C#N ZINC001319823515 1386318928 /nfs/dbraw/zinc/31/89/28/1386318928.db2.gz OFMFTZRUGGCFNC-GOSISDBHSA-N 2 2 336.439 3.347 20 30 EGEDLP C=CCC[C@H](C)[N@@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001494319471 1396430210 /nfs/dbraw/zinc/43/02/10/1396430210.db2.gz OGMRWMMOOLXUMK-HOCLYGCPSA-N 2 2 326.444 3.112 20 30 EGEDLP C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001494319471 1396430233 /nfs/dbraw/zinc/43/02/33/1396430233.db2.gz OGMRWMMOOLXUMK-HOCLYGCPSA-N 2 2 326.444 3.112 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CC(C)(C)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001755283495 1440801252 /nfs/dbraw/zinc/80/12/52/1440801252.db2.gz PFFZNZDRCWNSEO-MRXNPFEDSA-N 2 2 342.487 3.377 20 30 EGEDLP C=C(C)CC[NH2+]C[C@@H](NC(=O)c1cccc2[nH+]ccn21)C(C)(C)C ZINC001755827948 1440927921 /nfs/dbraw/zinc/92/79/21/1440927921.db2.gz WZRFVKYYVHNTRS-MRXNPFEDSA-N 2 2 328.460 3.035 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@]4(CCOC4)C3)CC2)cc1 ZINC000453338173 270053324 /nfs/dbraw/zinc/05/33/24/270053324.db2.gz BJLSSARRSDZKTK-OAQYLSRUSA-N 2 2 339.483 3.025 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([N@H+]3CCC[C@@]4(CCOC4)C3)CC2)cc1 ZINC000453338173 270053325 /nfs/dbraw/zinc/05/33/25/270053325.db2.gz BJLSSARRSDZKTK-OAQYLSRUSA-N 2 2 339.483 3.025 20 30 EGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCCO1 ZINC000271948200 267179371 /nfs/dbraw/zinc/17/93/71/267179371.db2.gz YYIIIAFOKUFAOC-JXFKEZNVSA-N 2 2 327.472 3.070 20 30 EGEDLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H](C)c3ccc(C#N)cc3)c2cc1C ZINC000298750202 267366982 /nfs/dbraw/zinc/36/69/82/267366982.db2.gz VVCNWRNXFONDMP-VQIMIIECSA-N 2 2 348.450 3.237 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCC(F)(F)F)CC2)cc1 ZINC000271882170 275238294 /nfs/dbraw/zinc/23/82/94/275238294.db2.gz PPOWVWJLUXHJIN-UHFFFAOYSA-N 2 2 325.378 3.455 20 30 EGEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC#Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC000190006738 455271064 /nfs/dbraw/zinc/27/10/64/455271064.db2.gz OESSCZORKYOQQA-YLJYHZDGSA-N 2 2 348.918 3.418 20 30 EGEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC#Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC000190006738 455271068 /nfs/dbraw/zinc/27/10/68/455271068.db2.gz OESSCZORKYOQQA-YLJYHZDGSA-N 2 2 348.918 3.418 20 30 EGEDLP COc1cccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000181411503 455331167 /nfs/dbraw/zinc/33/11/67/455331167.db2.gz URCJSEAWJJGOHP-UHFFFAOYSA-N 2 2 335.451 3.321 20 30 EGEDLP Cc1ccc([C@H](O)C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181550576 455353596 /nfs/dbraw/zinc/35/35/96/455353596.db2.gz AZDXUFZYMFSBTR-JOCHJYFZSA-N 2 2 349.478 3.154 20 30 EGEDLP CC[NH+]=C(NCCc1cccs1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000159980917 455420393 /nfs/dbraw/zinc/42/03/93/455420393.db2.gz ZJGXMFQXNRDEPD-DOTOQJQBSA-N 2 2 345.516 3.036 20 30 EGEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000090004426 454259772 /nfs/dbraw/zinc/25/97/72/454259772.db2.gz AKVBHZSCEOXSFA-GOSISDBHSA-N 2 2 338.455 3.015 20 30 EGEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000090004426 454259779 /nfs/dbraw/zinc/25/97/79/454259779.db2.gz AKVBHZSCEOXSFA-GOSISDBHSA-N 2 2 338.455 3.015 20 30 EGEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000072974949 454374287 /nfs/dbraw/zinc/37/42/87/454374287.db2.gz RQSOWSJSXZDJJU-UFYCRDLUSA-N 2 2 347.547 3.162 20 30 EGEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000072974949 454374291 /nfs/dbraw/zinc/37/42/91/454374291.db2.gz RQSOWSJSXZDJJU-UFYCRDLUSA-N 2 2 347.547 3.162 20 30 EGEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000072974949 454374295 /nfs/dbraw/zinc/37/42/95/454374295.db2.gz RQSOWSJSXZDJJU-UFYCRDLUSA-N 2 2 347.547 3.162 20 30 EGEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000072974949 454374299 /nfs/dbraw/zinc/37/42/99/454374299.db2.gz RQSOWSJSXZDJJU-UFYCRDLUSA-N 2 2 347.547 3.162 20 30 EGEDLP C=CCc1cc(C[N@H+]2CC[C@H](C[NH+](CC)CC)C2)cc(OC)c1O ZINC000093693139 454730510 /nfs/dbraw/zinc/73/05/10/454730510.db2.gz UMDFAVMFNDUFPA-MRXNPFEDSA-N 2 2 332.488 3.293 20 30 EGEDLP C=CCc1cc(C[N@@H+]2CC[C@H](C[NH+](CC)CC)C2)cc(OC)c1O ZINC000093693139 454730513 /nfs/dbraw/zinc/73/05/13/454730513.db2.gz UMDFAVMFNDUFPA-MRXNPFEDSA-N 2 2 332.488 3.293 20 30 EGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1OC ZINC000093866024 454741598 /nfs/dbraw/zinc/74/15/98/454741598.db2.gz XNLGMSRWKPAQCA-SFHVURJKSA-N 2 2 340.423 3.308 20 30 EGEDLP C=CCOc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1OC ZINC000093866024 454741601 /nfs/dbraw/zinc/74/16/01/454741601.db2.gz XNLGMSRWKPAQCA-SFHVURJKSA-N 2 2 340.423 3.308 20 30 EGEDLP C=CCOc1cccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000182090331 455432867 /nfs/dbraw/zinc/43/28/67/455432867.db2.gz MSNFQLKXJCUZHY-GOSISDBHSA-N 2 2 325.456 3.440 20 30 EGEDLP C=CCOc1cccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000182090331 455432871 /nfs/dbraw/zinc/43/28/71/455432871.db2.gz MSNFQLKXJCUZHY-GOSISDBHSA-N 2 2 325.456 3.440 20 30 EGEDLP Cn1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000272215836 455879367 /nfs/dbraw/zinc/87/93/67/455879367.db2.gz BFSKHPTZYUWBTP-KRWDZBQOSA-N 2 2 346.438 3.061 20 30 EGEDLP Cn1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000272215836 455879370 /nfs/dbraw/zinc/87/93/70/455879370.db2.gz BFSKHPTZYUWBTP-KRWDZBQOSA-N 2 2 346.438 3.061 20 30 EGEDLP CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)C1CC[NH+](C3CC3)CC1)C2 ZINC000328712099 456742075 /nfs/dbraw/zinc/74/20/75/456742075.db2.gz CEQGDFMHLPBXDF-HNNXBMFYSA-N 2 2 344.503 3.326 20 30 EGEDLP CCC[NH+]1CCC(NC(=O)N2CCCC[C@H]2c2[nH+]ccn2CC)CC1 ZINC000330243581 457010145 /nfs/dbraw/zinc/01/01/45/457010145.db2.gz CRSIKZUCEIGJJK-KRWDZBQOSA-N 2 2 347.507 3.218 20 30 EGEDLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000330280633 457021115 /nfs/dbraw/zinc/02/11/15/457021115.db2.gz SSNCSNSITJXELC-IAGOWNOFSA-N 2 2 347.507 3.218 20 30 EGEDLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CCCC2(C#N)CCOCC2)[nH+]1 ZINC000366893339 457906404 /nfs/dbraw/zinc/90/64/04/457906404.db2.gz GVDOFMHCCSJTEI-GOSISDBHSA-N 2 2 342.487 3.367 20 30 EGEDLP Cc1cccc(NC[C@H]2CCC[N@H+]2CCCC2(C#N)CCOCC2)[nH+]1 ZINC000366893339 457906409 /nfs/dbraw/zinc/90/64/09/457906409.db2.gz GVDOFMHCCSJTEI-GOSISDBHSA-N 2 2 342.487 3.367 20 30 EGEDLP N#CC1(c2ccccn2)CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000376740387 458380239 /nfs/dbraw/zinc/38/02/39/458380239.db2.gz UKBYSLYZOXWTIL-UHFFFAOYSA-N 2 2 343.434 3.325 20 30 EGEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000437245706 458438870 /nfs/dbraw/zinc/43/88/70/458438870.db2.gz LERPFJWGNHGDRW-NRDMVMEKSA-N 2 2 328.500 3.468 20 30 EGEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000437245706 458438874 /nfs/dbraw/zinc/43/88/74/458438874.db2.gz LERPFJWGNHGDRW-NRDMVMEKSA-N 2 2 328.500 3.468 20 30 EGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000577622322 459063959 /nfs/dbraw/zinc/06/39/59/459063959.db2.gz MRULREWORUUEPW-LFUKPOHLSA-N 2 2 334.467 3.199 20 30 EGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000577622322 459063963 /nfs/dbraw/zinc/06/39/63/459063963.db2.gz MRULREWORUUEPW-LFUKPOHLSA-N 2 2 334.467 3.199 20 30 EGEDLP N#CCCCOc1cccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000594520924 459078567 /nfs/dbraw/zinc/07/85/67/459078567.db2.gz RORNDKGVBIMNMH-WOJBJXKFSA-N 2 2 327.472 3.476 20 30 EGEDLP N#CCCCOc1cccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000594520924 459078570 /nfs/dbraw/zinc/07/85/70/459078570.db2.gz RORNDKGVBIMNMH-WOJBJXKFSA-N 2 2 327.472 3.476 20 30 EGEDLP N#Cc1cccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000594738763 459147837 /nfs/dbraw/zinc/14/78/37/459147837.db2.gz MMYNUUDXGUZZPD-LPHOPBHVSA-N 2 2 327.378 3.072 20 30 EGEDLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000591770818 459433207 /nfs/dbraw/zinc/43/32/07/459433207.db2.gz JWSDEODIEMNBJZ-UNMCSNQZSA-N 2 2 349.478 3.018 20 30 EGEDLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000591770818 459433211 /nfs/dbraw/zinc/43/32/11/459433211.db2.gz JWSDEODIEMNBJZ-UNMCSNQZSA-N 2 2 349.478 3.018 20 30 EGEDLP Cc1cc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)ccc1C#N ZINC000488992490 459557068 /nfs/dbraw/zinc/55/70/68/459557068.db2.gz KGFJUUHUMYNRQI-SFTDATJTSA-N 2 2 334.467 3.387 20 30 EGEDLP Cc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)ccc1C#N ZINC000488992490 459557074 /nfs/dbraw/zinc/55/70/74/459557074.db2.gz KGFJUUHUMYNRQI-SFTDATJTSA-N 2 2 334.467 3.387 20 30 EGEDLP Cc1cc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)ccc1C#N ZINC000488992490 459557078 /nfs/dbraw/zinc/55/70/78/459557078.db2.gz KGFJUUHUMYNRQI-SFTDATJTSA-N 2 2 334.467 3.387 20 30 EGEDLP Cc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)ccc1C#N ZINC000488992490 459557083 /nfs/dbraw/zinc/55/70/83/459557083.db2.gz KGFJUUHUMYNRQI-SFTDATJTSA-N 2 2 334.467 3.387 20 30 EGEDLP CC(C)O[C@@]1(C)C[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000527803329 459741432 /nfs/dbraw/zinc/74/14/32/459741432.db2.gz XSBNWBXSODUPEC-UXHICEINSA-N 2 2 327.472 3.068 20 30 EGEDLP CC[N@H+](Cc1cccc(C#N)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000602479255 459957979 /nfs/dbraw/zinc/95/79/79/459957979.db2.gz ZLJOIGIDLUTVNF-UHFFFAOYSA-N 2 2 335.455 3.087 20 30 EGEDLP Cc1ccc([C@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)[NH+](C)C)cc1 ZINC000602524609 459983780 /nfs/dbraw/zinc/98/37/80/459983780.db2.gz NFQVJRBFUMVPAK-MJGOQNOKSA-N 2 2 329.488 3.286 20 30 EGEDLP CC[NH+](CC)Cc1nc(C2([NH2+]C[C@H](C)CCC#N)CCCC2)no1 ZINC000602546388 459991954 /nfs/dbraw/zinc/99/19/54/459991954.db2.gz LWNVYFZQKMMPOS-OAHLLOKOSA-N 2 2 333.480 3.210 20 30 EGEDLP CC1CC[NH+]([C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)c2ccccc2)CC1 ZINC000598701330 460000086 /nfs/dbraw/zinc/00/00/86/460000086.db2.gz UISUOXWMBXOKQZ-UXHICEINSA-N 2 2 343.515 3.350 20 30 EGEDLP C=C(C)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(F)c(F)c1 ZINC000655757649 461425068 /nfs/dbraw/zinc/42/50/68/461425068.db2.gz WLWNBFVNAOIFPK-APWZRJJASA-N 2 2 336.426 3.425 20 30 EGEDLP C#CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000178232039 527114627 /nfs/dbraw/zinc/11/46/27/527114627.db2.gz UQTBKFCLUMZJOJ-GOSISDBHSA-N 2 2 349.478 3.409 20 30 EGEDLP CCc1ccc(NC(=[NH2+])NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000104155328 1293018561 /nfs/dbraw/zinc/01/85/61/1293018561.db2.gz ISGLPUOXMMPCDY-SFHVURJKSA-N 2 2 328.435 3.418 20 30 EGEDLP C=CCc1cc(OC)cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1O ZINC000164363811 1294348156 /nfs/dbraw/zinc/34/81/56/1294348156.db2.gz OWUPVFFHLSTMSO-UHFFFAOYSA-N 2 2 327.428 3.163 20 30 EGEDLP [NH2+]=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)NCC1CCC1 ZINC000303884688 1296868433 /nfs/dbraw/zinc/86/84/33/1296868433.db2.gz JHCWHJGLJLECEG-QGZVFWFLSA-N 2 2 334.895 3.181 20 30 EGEDLP N#Cc1ccc(N2CC[NH+]([C@@H]3CC[NH2+][C@H](c4ccccc4)C3)CC2)cc1 ZINC000873265028 1297398542 /nfs/dbraw/zinc/39/85/42/1297398542.db2.gz JXYBOSMKGOGEPC-YADHBBJMSA-N 2 2 346.478 3.174 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459772 1324303634 /nfs/dbraw/zinc/30/36/34/1324303634.db2.gz SEGIRHCLQIHGPO-HOTGVXAUSA-N 2 2 340.471 3.359 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459772 1324303636 /nfs/dbraw/zinc/30/36/36/1324303636.db2.gz SEGIRHCLQIHGPO-HOTGVXAUSA-N 2 2 340.471 3.359 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049551791 1347904430 /nfs/dbraw/zinc/90/44/30/1347904430.db2.gz IXGURIMNMFMJGU-OALUTQOASA-N 2 2 338.455 3.208 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049551791 1347904432 /nfs/dbraw/zinc/90/44/32/1347904432.db2.gz IXGURIMNMFMJGU-OALUTQOASA-N 2 2 338.455 3.208 20 30 EGEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001052836428 1348695173 /nfs/dbraw/zinc/69/51/73/1348695173.db2.gz GPENDXNECPEYGQ-SFHVURJKSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001052836428 1348695174 /nfs/dbraw/zinc/69/51/74/1348695174.db2.gz GPENDXNECPEYGQ-SFHVURJKSA-N 2 2 338.455 3.033 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001183629120 1387325476 /nfs/dbraw/zinc/32/54/76/1387325476.db2.gz HQMYMIUMLQFJHZ-MRXNPFEDSA-N 2 2 328.460 3.337 20 30 EGEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089486841 1360466902 /nfs/dbraw/zinc/46/69/02/1360466902.db2.gz DEZQOWORKUWWOM-HOTGVXAUSA-N 2 2 344.503 3.013 20 30 EGEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089486841 1360466904 /nfs/dbraw/zinc/46/69/04/1360466904.db2.gz DEZQOWORKUWWOM-HOTGVXAUSA-N 2 2 344.503 3.013 20 30 EGEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089657220 1360568939 /nfs/dbraw/zinc/56/89/39/1360568939.db2.gz BHDZYZRSXOURMT-INIZCTEOSA-N 2 2 340.471 3.359 20 30 EGEDLP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089657220 1360568940 /nfs/dbraw/zinc/56/89/40/1360568940.db2.gz BHDZYZRSXOURMT-INIZCTEOSA-N 2 2 340.471 3.359 20 30 EGEDLP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001185573888 1387753301 /nfs/dbraw/zinc/75/33/01/1387753301.db2.gz OKRDBPNWJHVISI-WMZOPIPTSA-N 2 2 346.519 3.081 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2)C1 ZINC001103774633 1365778168 /nfs/dbraw/zinc/77/81/68/1365778168.db2.gz KATRSVYQJWUXCU-GUDVDZBRSA-N 2 2 346.519 3.092 20 30 EGEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2)C1 ZINC001103774633 1365778171 /nfs/dbraw/zinc/77/81/71/1365778171.db2.gz KATRSVYQJWUXCU-GUDVDZBRSA-N 2 2 346.519 3.092 20 30 EGEDLP CCCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001108808876 1367609263 /nfs/dbraw/zinc/60/92/63/1367609263.db2.gz VKCCXESRKHMSHW-BZSNNMDCSA-N 2 2 346.519 3.200 20 30 EGEDLP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001197125930 1368750211 /nfs/dbraw/zinc/75/02/11/1368750211.db2.gz QKNBFCHCBVQMEC-QGZVFWFLSA-N 2 2 344.503 3.110 20 30 EGEDLP C=CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001197125930 1368750215 /nfs/dbraw/zinc/75/02/15/1368750215.db2.gz QKNBFCHCBVQMEC-QGZVFWFLSA-N 2 2 344.503 3.110 20 30 EGEDLP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c(C)cc(C)[nH+]c1C)C2 ZINC001112482108 1368879762 /nfs/dbraw/zinc/87/97/62/1368879762.db2.gz AYRQXOXFCDDOMO-RXVVDRJESA-N 2 2 341.499 3.415 20 30 EGEDLP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001201182498 1369491712 /nfs/dbraw/zinc/49/17/12/1369491712.db2.gz HJWJDDAPNUKLRA-HKUYNNGSSA-N 2 2 346.519 3.406 20 30 EGEDLP C=CCCC[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CCCCC1 ZINC001115627921 1370621676 /nfs/dbraw/zinc/62/16/76/1370621676.db2.gz ZMUNWBNSMVZNNU-UHFFFAOYSA-N 2 2 340.471 3.323 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001216975849 1373373676 /nfs/dbraw/zinc/37/36/76/1373373676.db2.gz YXYRDNCXEQVISB-QZTJIDSGSA-N 2 2 334.508 3.070 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132030209 1375106663 /nfs/dbraw/zinc/10/66/63/1375106663.db2.gz SPGDZXHJMZODBI-DLBZAZTESA-N 2 2 334.508 3.282 20 30 EGEDLP CCCCCCC[N@H+]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132030209 1375106666 /nfs/dbraw/zinc/10/66/66/1375106666.db2.gz SPGDZXHJMZODBI-DLBZAZTESA-N 2 2 334.508 3.282 20 30 EGEDLP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001133021086 1375716591 /nfs/dbraw/zinc/71/65/91/1375716591.db2.gz IPMQDIGHODRMCK-OALUTQOASA-N 2 2 346.519 3.094 20 30 EGEDLP CCCCCCC[NH+]1CCC(NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001230434254 1376029291 /nfs/dbraw/zinc/02/92/91/1376029291.db2.gz CZTXEZXOCLETPF-UHFFFAOYSA-N 2 2 334.508 3.214 20 30 EGEDLP CC(C)[N@H+](Cc1ccc(N(C)CCC#N)cc1)C1CC[NH+](C)CC1 ZINC001231821924 1376319636 /nfs/dbraw/zinc/31/96/36/1376319636.db2.gz OHIPORIDEZEPNH-UHFFFAOYSA-N 2 2 328.504 3.341 20 30 EGEDLP CC(C)[N@@H+](Cc1ccc(N(C)CCC#N)cc1)C1CC[NH+](C)CC1 ZINC001231821924 1376319645 /nfs/dbraw/zinc/31/96/45/1376319645.db2.gz OHIPORIDEZEPNH-UHFFFAOYSA-N 2 2 328.504 3.341 20 30 EGEDLP Cc1cc(N2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)cc[nH+]1 ZINC001238084645 1376994638 /nfs/dbraw/zinc/99/46/38/1376994638.db2.gz MDPCJFBNDYFKGG-UHFFFAOYSA-N 2 2 326.831 3.237 20 30 EGEDLP COc1ccc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c(C#N)c1 ZINC001137704443 1377598709 /nfs/dbraw/zinc/59/87/09/1377598709.db2.gz FUCDUBMCSIQPGB-OALUTQOASA-N 2 2 327.472 3.406 20 30 EGEDLP COc1ccc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c(C#N)c1 ZINC001137704443 1377598712 /nfs/dbraw/zinc/59/87/12/1377598712.db2.gz FUCDUBMCSIQPGB-OALUTQOASA-N 2 2 327.472 3.406 20 30 EGEDLP COc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)c(C#N)c1 ZINC001137704443 1377598715 /nfs/dbraw/zinc/59/87/15/1377598715.db2.gz FUCDUBMCSIQPGB-OALUTQOASA-N 2 2 327.472 3.406 20 30 EGEDLP COc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)c(C#N)c1 ZINC001137704443 1377598718 /nfs/dbraw/zinc/59/87/18/1377598718.db2.gz FUCDUBMCSIQPGB-OALUTQOASA-N 2 2 327.472 3.406 20 30 EGEDLP CCCCCCC[N@@H+]1CCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001148604636 1379224000 /nfs/dbraw/zinc/22/40/00/1379224000.db2.gz JBNWCRLCUDTCLP-UHFFFAOYSA-N 2 2 346.519 3.192 20 30 EGEDLP CCCCCCC[N@H+]1CCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001148604636 1379224002 /nfs/dbraw/zinc/22/40/02/1379224002.db2.gz JBNWCRLCUDTCLP-UHFFFAOYSA-N 2 2 346.519 3.192 20 30 EGEDLP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001157957924 1381081647 /nfs/dbraw/zinc/08/16/47/1381081647.db2.gz LNANALPOGDMLEJ-GOSISDBHSA-N 2 2 340.471 3.145 20 30 EGEDLP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001157957924 1381081653 /nfs/dbraw/zinc/08/16/53/1381081653.db2.gz LNANALPOGDMLEJ-GOSISDBHSA-N 2 2 340.471 3.145 20 30 EGEDLP C=CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001158296962 1381190542 /nfs/dbraw/zinc/19/05/42/1381190542.db2.gz YTRHERFKRLSSAZ-LJQANCHMSA-N 2 2 346.519 3.333 20 30 EGEDLP C=CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001158296962 1381190546 /nfs/dbraw/zinc/19/05/46/1381190546.db2.gz YTRHERFKRLSSAZ-LJQANCHMSA-N 2 2 346.519 3.333 20 30 EGEDLP Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NCCCC[NH+](C)C)[nH+]1 ZINC001161728499 1382490187 /nfs/dbraw/zinc/49/01/87/1382490187.db2.gz MBBZFQSHAWPWAU-UOCRBVKVSA-N 2 2 338.521 3.025 20 30 EGEDLP CCCCCCC[NH2+]CC1(CCNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001166335286 1383412696 /nfs/dbraw/zinc/41/26/96/1383412696.db2.gz QFAKOACXKSNVFC-UHFFFAOYSA-N 2 2 348.535 3.199 20 30 EGEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc2cc(F)ccc2c[nH+]1 ZINC001171067466 1384440742 /nfs/dbraw/zinc/44/07/42/1384440742.db2.gz GESHDHNDLYINAF-INIZCTEOSA-N 2 2 331.391 3.013 20 30 EGEDLP N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)C1 ZINC001178998813 1386371019 /nfs/dbraw/zinc/37/10/19/1386371019.db2.gz SWOQUAGQRGKMMK-GOEBONIOSA-N 2 2 344.846 3.397 20 30 EGEDLP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001178995779 1386371059 /nfs/dbraw/zinc/37/10/59/1386371059.db2.gz QXDBEGGHRGJUDY-YCPHGPKFSA-N 2 2 326.444 3.110 20 30 EGEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1C ZINC001179841483 1386604151 /nfs/dbraw/zinc/60/41/51/1386604151.db2.gz YEZJZKSUKJQCKD-LPHOPBHVSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001181820262 1387060503 /nfs/dbraw/zinc/06/05/03/1387060503.db2.gz LJNWSOIEDJEPQH-WSTZPKSXSA-N 2 2 346.519 3.121 20 30 EGEDLP C=CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001752142204 1440144840 /nfs/dbraw/zinc/14/48/40/1440144840.db2.gz HGZUHMBKZOJRQY-KSSFIOAISA-N 2 2 326.444 3.112 20 30 EGEDLP C=C(C)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001753796353 1440489886 /nfs/dbraw/zinc/48/98/86/1440489886.db2.gz JYMJVCIQEPGHBF-WMZOPIPTSA-N 2 2 329.488 3.413 20 30 EGEDLP C#CC[NH2+]CCC[C@H](NC(=O)c1c(C)cc(C)[nH+]c1C)c1ccccc1 ZINC001755547475 1440870947 /nfs/dbraw/zinc/87/09/47/1440870947.db2.gz QPJTXPRCCQSQJA-FQEVSTJZSA-N 2 2 349.478 3.481 20 30 EGEDLP N#Cc1cccc(OCCC[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000268651953 201227766 /nfs/dbraw/zinc/22/77/66/201227766.db2.gz GOHCMTDJDZNZLW-UHFFFAOYSA-N 2 2 327.472 3.277 20 30 EGEDLP COc1ccc(C[NH2+]CCCn2c(C)[nH+]c3ccccc32)cc1C#N ZINC000174242810 207002229 /nfs/dbraw/zinc/00/22/29/207002229.db2.gz UFBXCLYKROBFRB-UHFFFAOYSA-N 2 2 334.423 3.405 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000268858564 252307138 /nfs/dbraw/zinc/30/71/38/252307138.db2.gz HFORFFYPLHEEKJ-RXVVDRJESA-N 3 2 327.516 3.280 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000268858564 252307141 /nfs/dbraw/zinc/30/71/41/252307141.db2.gz HFORFFYPLHEEKJ-RXVVDRJESA-N 3 2 327.516 3.280 20 30 EGEDLP C=CCN1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000268858564 252307148 /nfs/dbraw/zinc/30/71/48/252307148.db2.gz HFORFFYPLHEEKJ-RXVVDRJESA-N 2 2 327.516 3.280 20 30 EGEDLP C=CCN1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000268858564 252307151 /nfs/dbraw/zinc/30/71/51/252307151.db2.gz HFORFFYPLHEEKJ-RXVVDRJESA-N 2 2 327.516 3.280 20 30 EGEDLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2cc(C#N)n(C)c2)c(C)c1 ZINC000359691311 167210075 /nfs/dbraw/zinc/21/00/75/167210075.db2.gz YSLMKMMZSOICTI-FQEVSTJZSA-N 2 2 333.439 3.241 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC[C@H](O)c3ccccc3)CC2)cc1 ZINC000289181693 268065987 /nfs/dbraw/zinc/06/59/87/268065987.db2.gz AORQRDDFIZADGY-QFIPXVFZSA-N 2 2 349.478 3.236 20 30 EGEDLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000600848080 460620689 /nfs/dbraw/zinc/62/06/89/460620689.db2.gz CRLSMDRFARKLSO-HNNXBMFYSA-N 2 2 326.444 3.033 20 30 EGEDLP COc1cccc([C@H](C[NH2+]Cc2ccc(C#N)cc2)[NH+]2CCCC2)c1 ZINC000052660166 453841212 /nfs/dbraw/zinc/84/12/12/453841212.db2.gz FTAMYEAQLXGFIM-NRFANRHFSA-N 2 2 335.451 3.494 20 30 EGEDLP C#CCOc1ccccc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000058165454 454166946 /nfs/dbraw/zinc/16/69/46/454166946.db2.gz YBCYFGYYSGVMLX-UHFFFAOYSA-N 2 2 334.463 3.453 20 30 EGEDLP Cc1nc(CO[NH+]=C(N)c2cccc(C[NH+]3CCCCC3)c2)cs1 ZINC000101540825 454472749 /nfs/dbraw/zinc/47/27/49/454472749.db2.gz BHNJRRDLHAPFKD-UHFFFAOYSA-N 2 2 344.484 3.275 20 30 EGEDLP N#Cc1c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cn2ccccc12 ZINC000134877236 454602148 /nfs/dbraw/zinc/60/21/48/454602148.db2.gz UMCHJBSJFCPOMG-OXQOHEQNSA-N 2 2 334.467 3.260 20 30 EGEDLP N#Cc1c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cn2ccccc12 ZINC000134877236 454602154 /nfs/dbraw/zinc/60/21/54/454602154.db2.gz UMCHJBSJFCPOMG-OXQOHEQNSA-N 2 2 334.467 3.260 20 30 EGEDLP N#Cc1c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn2ccccc12 ZINC000134877236 454602156 /nfs/dbraw/zinc/60/21/56/454602156.db2.gz UMCHJBSJFCPOMG-OXQOHEQNSA-N 2 2 334.467 3.260 20 30 EGEDLP N#Cc1c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn2ccccc12 ZINC000134877236 454602161 /nfs/dbraw/zinc/60/21/61/454602161.db2.gz UMCHJBSJFCPOMG-OXQOHEQNSA-N 2 2 334.467 3.260 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2sc(CCOC)nc2C)CC1 ZINC000092747004 454623882 /nfs/dbraw/zinc/62/38/82/454623882.db2.gz PZCQGQYXPQNVRH-AWEZNQCLSA-N 2 2 337.533 3.332 20 30 EGEDLP C[C@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C[N@@H+]1C1CC1 ZINC000151059868 454931248 /nfs/dbraw/zinc/93/12/48/454931248.db2.gz PFMIZBAXVCHCNA-QFBILLFUSA-N 2 2 349.482 3.179 20 30 EGEDLP C[C@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C[N@H+]1C1CC1 ZINC000151059868 454931253 /nfs/dbraw/zinc/93/12/53/454931253.db2.gz PFMIZBAXVCHCNA-QFBILLFUSA-N 2 2 349.482 3.179 20 30 EGEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C[N@@H+]1C1CC1 ZINC000151059804 454931410 /nfs/dbraw/zinc/93/14/10/454931410.db2.gz PFMIZBAXVCHCNA-VQIMIIECSA-N 2 2 349.482 3.179 20 30 EGEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C[N@H+]1C1CC1 ZINC000151059804 454931412 /nfs/dbraw/zinc/93/14/12/454931412.db2.gz PFMIZBAXVCHCNA-VQIMIIECSA-N 2 2 349.482 3.179 20 30 EGEDLP COc1ccc(NC(=[NH2+])NCCCn2c(C)[nH+]c3ccccc32)cc1 ZINC000264126834 455192763 /nfs/dbraw/zinc/19/27/63/455192763.db2.gz SKACUDOLKHWXHM-UHFFFAOYSA-N 2 2 337.427 3.170 20 30 EGEDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)cc2Br)C1 ZINC000181135899 455293238 /nfs/dbraw/zinc/29/32/38/455293238.db2.gz QOOQFQQSRHSVEU-CQSZACIVSA-N 2 2 336.277 3.094 20 30 EGEDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)cc2Br)C1 ZINC000181135899 455293243 /nfs/dbraw/zinc/29/32/43/455293243.db2.gz QOOQFQQSRHSVEU-CQSZACIVSA-N 2 2 336.277 3.094 20 30 EGEDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181135899 455293247 /nfs/dbraw/zinc/29/32/47/455293247.db2.gz QOOQFQQSRHSVEU-CQSZACIVSA-N 2 2 336.277 3.094 20 30 EGEDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181135899 455293252 /nfs/dbraw/zinc/29/32/52/455293252.db2.gz QOOQFQQSRHSVEU-CQSZACIVSA-N 2 2 336.277 3.094 20 30 EGEDLP C=CC[N@@H+](CCC#N)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000292704502 455736923 /nfs/dbraw/zinc/73/69/23/455736923.db2.gz CSIFVOARNMWNEK-UHFFFAOYSA-N 2 2 326.488 3.119 20 30 EGEDLP C=CC[N@H+](CCC#N)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000292704502 455736926 /nfs/dbraw/zinc/73/69/26/455736926.db2.gz CSIFVOARNMWNEK-UHFFFAOYSA-N 2 2 326.488 3.119 20 30 EGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccc(C#N)c(F)c1 ZINC000271930773 455799735 /nfs/dbraw/zinc/79/97/35/455799735.db2.gz LBDNGFCLVMGEQJ-OAHLLOKOSA-N 2 2 338.430 3.408 20 30 EGEDLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CCC[C@@H](C#N)C3)[nH+]c2)CC1 ZINC000278862931 455849882 /nfs/dbraw/zinc/84/98/82/455849882.db2.gz WKGGPNNKMBPSGJ-CVEARBPZSA-N 2 2 327.476 3.106 20 30 EGEDLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cccc(C#N)c1 ZINC000272314305 455910521 /nfs/dbraw/zinc/91/05/21/455910521.db2.gz UOLFVESDCZFFNL-HNAYVOBHSA-N 2 2 335.455 3.267 20 30 EGEDLP C#Cc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000289254660 456118512 /nfs/dbraw/zinc/11/85/12/456118512.db2.gz CPZDFOIDOOFKKG-UHFFFAOYSA-N 2 2 333.479 3.202 20 30 EGEDLP C#Cc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000289254660 456118515 /nfs/dbraw/zinc/11/85/15/456118515.db2.gz CPZDFOIDOOFKKG-UHFFFAOYSA-N 2 2 333.479 3.202 20 30 EGEDLP C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329330313 456873323 /nfs/dbraw/zinc/87/33/23/456873323.db2.gz YYQIVFRRWYLRSP-ARFHVFGLSA-N 2 2 330.476 3.055 20 30 EGEDLP C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000329330313 456873329 /nfs/dbraw/zinc/87/33/29/456873329.db2.gz YYQIVFRRWYLRSP-ARFHVFGLSA-N 2 2 330.476 3.055 20 30 EGEDLP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000329580613 456912014 /nfs/dbraw/zinc/91/20/14/456912014.db2.gz WXFIXJVRABREAQ-DZGCQCFKSA-N 2 2 326.444 3.317 20 30 EGEDLP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000329580613 456912018 /nfs/dbraw/zinc/91/20/18/456912018.db2.gz WXFIXJVRABREAQ-DZGCQCFKSA-N 2 2 326.444 3.317 20 30 EGEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360838317 457377479 /nfs/dbraw/zinc/37/74/79/457377479.db2.gz UBTQOPOLFYCMER-CTNGQTDRSA-N 2 2 341.499 3.272 20 30 EGEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360838317 457377486 /nfs/dbraw/zinc/37/74/86/457377486.db2.gz UBTQOPOLFYCMER-CTNGQTDRSA-N 2 2 341.499 3.272 20 30 EGEDLP C=CC[NH+](CC=C)[C@H](CNc1cc(N2CCCC2)[nH+]cn1)C(C)C ZINC000358803249 458226661 /nfs/dbraw/zinc/22/66/61/458226661.db2.gz GXGCLQWQVVRLPJ-QGZVFWFLSA-N 2 2 329.492 3.187 20 30 EGEDLP C=CC[N@H+](CCc1ccco1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420933775 458404105 /nfs/dbraw/zinc/40/41/05/458404105.db2.gz IIBQTIBTCAHCMB-UHFFFAOYSA-N 2 2 340.467 3.343 20 30 EGEDLP N#CCC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000594503444 459064907 /nfs/dbraw/zinc/06/49/07/459064907.db2.gz WJYKXFZWKQSVSU-WOJBJXKFSA-N 2 2 327.472 3.264 20 30 EGEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)CC2 ZINC000596650365 459714431 /nfs/dbraw/zinc/71/44/31/459714431.db2.gz PJQPIBFCGGCVOC-JBACZVJFSA-N 2 2 335.426 3.420 20 30 EGEDLP COCCC1CC[NH+](C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000527938493 459776347 /nfs/dbraw/zinc/77/63/47/459776347.db2.gz ZXCNTLIBBOXEEH-UHFFFAOYSA-N 2 2 341.499 3.271 20 30 EGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)c1cncc(F)c1 ZINC000593693432 459954505 /nfs/dbraw/zinc/95/45/05/459954505.db2.gz ZDEYBCQFNDXVMI-HNNXBMFYSA-N 2 2 338.430 3.408 20 30 EGEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)s1 ZINC000593692609 459954894 /nfs/dbraw/zinc/95/48/94/459954894.db2.gz GUHUPLGBWFLZLL-UHFFFAOYSA-N 2 2 336.464 3.246 20 30 EGEDLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000609385685 459955919 /nfs/dbraw/zinc/95/59/19/459955919.db2.gz DLSKRKCQCAFYTB-MRXNPFEDSA-N 2 2 348.878 3.003 20 30 EGEDLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000609385685 459955926 /nfs/dbraw/zinc/95/59/26/459955926.db2.gz DLSKRKCQCAFYTB-MRXNPFEDSA-N 2 2 348.878 3.003 20 30 EGEDLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(C#N)n2)[C@H]1c1cccs1 ZINC000602549838 459992257 /nfs/dbraw/zinc/99/22/57/459992257.db2.gz GBYZHQVLBKDJGH-KDOFPFPSSA-N 2 2 326.469 3.187 20 30 EGEDLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(C#N)n2)[C@H]1c1cccs1 ZINC000602549838 459992260 /nfs/dbraw/zinc/99/22/60/459992260.db2.gz GBYZHQVLBKDJGH-KDOFPFPSSA-N 2 2 326.469 3.187 20 30 EGEDLP CC[C@H](C)[C@H](C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)OC ZINC000602706427 460076423 /nfs/dbraw/zinc/07/64/23/460076423.db2.gz PGSIQCAECXDSGQ-JXFKEZNVSA-N 2 2 329.488 3.173 20 30 EGEDLP CCc1ccc(NC(=[NH2+])NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000303879593 1296864710 /nfs/dbraw/zinc/86/47/10/1296864710.db2.gz GRJGIAYSDJCNLR-SFHVURJKSA-N 2 2 328.435 3.418 20 30 EGEDLP CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000878252138 1299866276 /nfs/dbraw/zinc/86/62/76/1299866276.db2.gz COYMNNQXSUFDSG-PXNSSMCTSA-N 2 2 336.439 3.030 20 30 EGEDLP CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000878252138 1299866293 /nfs/dbraw/zinc/86/62/93/1299866293.db2.gz COYMNNQXSUFDSG-PXNSSMCTSA-N 2 2 336.439 3.030 20 30 EGEDLP CN(c1ccccc1C=[NH+]Nc1ccnc(F)c1)C1CC[NH+](C)CC1 ZINC000781127916 1304775305 /nfs/dbraw/zinc/77/53/05/1304775305.db2.gz RHLRNVPFCBCCBE-UHFFFAOYSA-N 2 2 341.434 3.197 20 30 EGEDLP C[NH+]1CCN(c2ccc(C=[NH+]Nc3ccc(F)c(F)c3F)cc2)CC1 ZINC000814946024 1318856929 /nfs/dbraw/zinc/85/69/29/1318856929.db2.gz BRNNQMHJVJUYOP-UHFFFAOYSA-N 2 2 348.372 3.302 20 30 EGEDLP CC(C)(C)[NH+]=C(NCCCCn1cc[nH+]c1)NCc1ccccc1 ZINC000912498840 1318893562 /nfs/dbraw/zinc/89/35/62/1318893562.db2.gz JYUBUEVNYAUSHE-UHFFFAOYSA-N 2 2 327.476 3.197 20 30 EGEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@]2(COC)CCC[NH2+]2)cc1 ZINC000817974410 1319482836 /nfs/dbraw/zinc/48/28/36/1319482836.db2.gz LJLQSJNNKJOQMB-YJBOKZPZSA-N 2 2 338.879 3.237 20 30 EGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccc4c(c3)CCO4)CC2)c1 ZINC000846107642 1321768630 /nfs/dbraw/zinc/76/86/30/1321768630.db2.gz QUKHTACWDDAMFY-UHFFFAOYSA-N 2 2 347.462 3.247 20 30 EGEDLP C=CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025422974 1324256903 /nfs/dbraw/zinc/25/69/03/1324256903.db2.gz OZHGSLNLGCGVLV-WMZOPIPTSA-N 2 2 340.471 3.049 20 30 EGEDLP C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025422974 1324256905 /nfs/dbraw/zinc/25/69/05/1324256905.db2.gz OZHGSLNLGCGVLV-WMZOPIPTSA-N 2 2 340.471 3.049 20 30 EGEDLP C=C(Cl)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459490 1324303441 /nfs/dbraw/zinc/30/34/41/1324303441.db2.gz OLPCVPBQBGGDBZ-KGLIPLIRSA-N 2 2 346.862 3.146 20 30 EGEDLP C=C(Cl)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459490 1324303447 /nfs/dbraw/zinc/30/34/47/1324303447.db2.gz OLPCVPBQBGGDBZ-KGLIPLIRSA-N 2 2 346.862 3.146 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC[C@@H](O)C3CCCC3)CC2)cc1 ZINC000865875917 1329747799 /nfs/dbraw/zinc/74/77/99/1329747799.db2.gz GUSLWNOCSBIGHY-OAQYLSRUSA-N 2 2 341.499 3.053 20 30 EGEDLP C=C(Cl)C[N@H+]1CCC[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948593832 1333589196 /nfs/dbraw/zinc/58/91/96/1333589196.db2.gz IMPGMFMYUQPMBG-MRXNPFEDSA-N 2 2 346.862 3.013 20 30 EGEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948593832 1333589198 /nfs/dbraw/zinc/58/91/98/1333589198.db2.gz IMPGMFMYUQPMBG-MRXNPFEDSA-N 2 2 346.862 3.013 20 30 EGEDLP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001016688391 1338690929 /nfs/dbraw/zinc/69/09/29/1338690929.db2.gz QUVCZKHOAFDGSG-GOSISDBHSA-N 2 2 338.455 3.113 20 30 EGEDLP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034445323 1342505291 /nfs/dbraw/zinc/50/52/91/1342505291.db2.gz QTKFFDAASKZYRB-GOSISDBHSA-N 2 2 349.906 3.085 20 30 EGEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034445323 1342505294 /nfs/dbraw/zinc/50/52/94/1342505294.db2.gz QTKFFDAASKZYRB-GOSISDBHSA-N 2 2 349.906 3.085 20 30 EGEDLP C=CCC[NH+]1CC2(C1)CCN(C(=O)c1c(C)cc(C)[nH+]c1C)CC2 ZINC001035753061 1343170867 /nfs/dbraw/zinc/17/08/67/1343170867.db2.gz KPCCYNUKBIRYJE-UHFFFAOYSA-N 2 2 327.472 3.121 20 30 EGEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1CC ZINC001037894267 1344166065 /nfs/dbraw/zinc/16/60/65/1344166065.db2.gz SYBJHNPHBCJLMF-ZWKOTPCHSA-N 2 2 329.488 3.413 20 30 EGEDLP C=CCC[N@H+]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC[C@H]1C ZINC001071954395 1355040351 /nfs/dbraw/zinc/04/03/51/1355040351.db2.gz OHSZWHIEVBPLRF-AEFFLSMTSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC[C@H]1C ZINC001071954395 1355040353 /nfs/dbraw/zinc/04/03/53/1355040353.db2.gz OHSZWHIEVBPLRF-AEFFLSMTSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001099120520 1363634971 /nfs/dbraw/zinc/63/49/71/1363634971.db2.gz CFSAJBRCZSXXAS-KRWDZBQOSA-N 2 2 346.519 3.110 20 30 EGEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001099120520 1363634975 /nfs/dbraw/zinc/63/49/75/1363634975.db2.gz CFSAJBRCZSXXAS-KRWDZBQOSA-N 2 2 346.519 3.110 20 30 EGEDLP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC001086945966 1359267171 /nfs/dbraw/zinc/26/71/71/1359267171.db2.gz MILLCTOYDJMMOZ-ZWKOTPCHSA-N 2 2 344.503 3.113 20 30 EGEDLP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1c(C)cc(C)[nH+]c1C)C2 ZINC001094966313 1361966139 /nfs/dbraw/zinc/96/61/39/1361966139.db2.gz UMKRPNYUUATEOG-BZSNNMDCSA-N 2 2 327.472 3.166 20 30 EGEDLP CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001184905543 1387560008 /nfs/dbraw/zinc/56/00/08/1387560008.db2.gz WBDDBBMWXQHLFW-MOPGFXCFSA-N 2 2 348.535 3.318 20 30 EGEDLP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001099251652 1363713666 /nfs/dbraw/zinc/71/36/66/1363713666.db2.gz MUHOZGMHSRNWIE-IRXDYDNUSA-N 2 2 332.492 3.017 20 30 EGEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001099251652 1363713670 /nfs/dbraw/zinc/71/36/70/1363713670.db2.gz MUHOZGMHSRNWIE-IRXDYDNUSA-N 2 2 332.492 3.017 20 30 EGEDLP CCCCCCC[NH2+]C1CC(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001100744353 1364245053 /nfs/dbraw/zinc/24/50/53/1364245053.db2.gz UKVJBMFIBCPEHP-KLAILNCOSA-N 2 2 334.508 3.043 20 30 EGEDLP CCCCCCC[NH2+]C1CC(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001100744353 1364245054 /nfs/dbraw/zinc/24/50/54/1364245054.db2.gz UKVJBMFIBCPEHP-KLAILNCOSA-N 2 2 334.508 3.043 20 30 EGEDLP C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001101581161 1364633852 /nfs/dbraw/zinc/63/38/52/1364633852.db2.gz LDGNJJAIYIFZLA-MRXNPFEDSA-N 2 2 346.519 3.019 20 30 EGEDLP C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001101581161 1364633856 /nfs/dbraw/zinc/63/38/56/1364633856.db2.gz LDGNJJAIYIFZLA-MRXNPFEDSA-N 2 2 346.519 3.019 20 30 EGEDLP C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001101598399 1364648789 /nfs/dbraw/zinc/64/87/89/1364648789.db2.gz KTPHGSAQQSFECV-UHFFFAOYSA-N 2 2 346.519 3.094 20 30 EGEDLP C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001185573886 1387752967 /nfs/dbraw/zinc/75/29/67/1387752967.db2.gz OKRDBPNWJHVISI-FUHWJXTLSA-N 2 2 346.519 3.081 20 30 EGEDLP C=CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107561686 1367044427 /nfs/dbraw/zinc/04/44/27/1367044427.db2.gz PKMINKSDCYJRPW-UYAOXDASSA-N 2 2 344.503 3.059 20 30 EGEDLP C=CCCCCC[N@H+]1CC[C@@]2(CNC(=O)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107561686 1367044429 /nfs/dbraw/zinc/04/44/29/1367044429.db2.gz PKMINKSDCYJRPW-UYAOXDASSA-N 2 2 344.503 3.059 20 30 EGEDLP C=C(C)CC[NH2+]C1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001203171492 1370008660 /nfs/dbraw/zinc/00/86/60/1370008660.db2.gz JKNCRZHXKCBTHI-UHFFFAOYSA-N 2 2 338.455 3.033 20 30 EGEDLP CCCCCCC[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001115749381 1370729879 /nfs/dbraw/zinc/72/98/79/1370729879.db2.gz YQAOOLWHANWOSN-UHFFFAOYSA-N 2 2 334.508 3.331 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001206238156 1371000377 /nfs/dbraw/zinc/00/03/77/1371000377.db2.gz JAANYHDMOPRREM-RDJZCZTQSA-N 2 2 344.503 3.013 20 30 EGEDLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC001206547724 1371090650 /nfs/dbraw/zinc/09/06/50/1371090650.db2.gz FOYWIZCNRDFGOM-MRXNPFEDSA-N 2 2 336.277 3.272 20 30 EGEDLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC001206547724 1371090653 /nfs/dbraw/zinc/09/06/53/1371090653.db2.gz FOYWIZCNRDFGOM-MRXNPFEDSA-N 2 2 336.277 3.272 20 30 EGEDLP C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001208420037 1371760677 /nfs/dbraw/zinc/76/06/77/1371760677.db2.gz GTZJQLDHVLEPRR-ZBFHGGJFSA-N 2 2 326.444 3.112 20 30 EGEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001208420034 1371760914 /nfs/dbraw/zinc/76/09/14/1371760914.db2.gz GTZJQLDHVLEPRR-GDBMZVCRSA-N 2 2 326.444 3.112 20 30 EGEDLP C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001121847904 1372100878 /nfs/dbraw/zinc/10/08/78/1372100878.db2.gz IBASLLNMPDMWNX-ACVRPFEBSA-N 2 2 344.503 3.206 20 30 EGEDLP C=CCCCCCC[NH+]1CCC[C@@]2(C1)COCC[N@@H+](CCOC)C2 ZINC001209436306 1372105341 /nfs/dbraw/zinc/10/53/41/1372105341.db2.gz SXMLFFWBIRGBNH-FQEVSTJZSA-N 2 2 338.536 3.184 20 30 EGEDLP C=CCCCCCC[NH+]1CCC[C@@]2(C1)COCC[N@H+](CCOC)C2 ZINC001209436306 1372105345 /nfs/dbraw/zinc/10/53/45/1372105345.db2.gz SXMLFFWBIRGBNH-FQEVSTJZSA-N 2 2 338.536 3.184 20 30 EGEDLP C=CCCCCCC[N@H+]1CCC[C@@]2(C1)COCC[NH+](CCOC)C2 ZINC001209436306 1372105348 /nfs/dbraw/zinc/10/53/48/1372105348.db2.gz SXMLFFWBIRGBNH-FQEVSTJZSA-N 2 2 338.536 3.184 20 30 EGEDLP C=CCCCCCC[N@@H+]1CCC[C@@]2(C1)COCC[NH+](CCOC)C2 ZINC001209436306 1372105351 /nfs/dbraw/zinc/10/53/51/1372105351.db2.gz SXMLFFWBIRGBNH-FQEVSTJZSA-N 2 2 338.536 3.184 20 30 EGEDLP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001326713357 1388287829 /nfs/dbraw/zinc/28/78/29/1388287829.db2.gz DMJHJJZSGUVBKM-GOSISDBHSA-N 2 2 340.471 3.193 20 30 EGEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001132131701 1375161445 /nfs/dbraw/zinc/16/14/45/1375161445.db2.gz IMLCSBOORVTGTG-HOCLYGCPSA-N 2 2 326.444 3.112 20 30 EGEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001132131701 1375161446 /nfs/dbraw/zinc/16/14/46/1375161446.db2.gz IMLCSBOORVTGTG-HOCLYGCPSA-N 2 2 326.444 3.112 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001225969990 1375181772 /nfs/dbraw/zinc/18/17/72/1375181772.db2.gz XFCJZYGTTVQXFN-IAGOWNOFSA-N 2 2 334.508 3.330 20 30 EGEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC[C@H]1C ZINC001133002612 1375705043 /nfs/dbraw/zinc/70/50/43/1375705043.db2.gz UARYGQPXERRLCS-KDOFPFPSSA-N 2 2 329.488 3.271 20 30 EGEDLP C[N@@H+](Cc1cc(C#N)ccc1O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001232678889 1376500705 /nfs/dbraw/zinc/50/07/05/1376500705.db2.gz SYVWHCQOLAKFQP-LJQANCHMSA-N 2 2 335.451 3.218 20 30 EGEDLP C[N@H+](Cc1cc(C#N)ccc1O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001232678889 1376500709 /nfs/dbraw/zinc/50/07/09/1376500709.db2.gz SYVWHCQOLAKFQP-LJQANCHMSA-N 2 2 335.451 3.218 20 30 EGEDLP C[NH+](Cc1cc(C#N)ccc1O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001232678889 1376500714 /nfs/dbraw/zinc/50/07/14/1376500714.db2.gz SYVWHCQOLAKFQP-LJQANCHMSA-N 2 2 335.451 3.218 20 30 EGEDLP C[NH+](Cc1cc(C#N)ccc1O)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001232678889 1376500720 /nfs/dbraw/zinc/50/07/20/1376500720.db2.gz SYVWHCQOLAKFQP-LJQANCHMSA-N 2 2 335.451 3.218 20 30 EGEDLP N#Cc1ccc(Br)cc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001235887576 1376911387 /nfs/dbraw/zinc/91/13/87/1376911387.db2.gz FYUMFWZCLXRSAJ-QGZVFWFLSA-N 2 2 348.288 3.285 20 30 EGEDLP Cc1ccc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)cc1C#N ZINC001139723794 1377941672 /nfs/dbraw/zinc/94/16/72/1377941672.db2.gz HJBDBGOIBAVHRO-OAQYLSRUSA-N 2 2 341.499 3.190 20 30 EGEDLP Cc1ccc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)cc1C#N ZINC001139723794 1377941673 /nfs/dbraw/zinc/94/16/73/1377941673.db2.gz HJBDBGOIBAVHRO-OAQYLSRUSA-N 2 2 341.499 3.190 20 30 EGEDLP Cc1ccc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)cc1C#N ZINC001139723794 1377941674 /nfs/dbraw/zinc/94/16/74/1377941674.db2.gz HJBDBGOIBAVHRO-OAQYLSRUSA-N 2 2 341.499 3.190 20 30 EGEDLP Cc1ccc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)cc1C#N ZINC001139723794 1377941675 /nfs/dbraw/zinc/94/16/75/1377941675.db2.gz HJBDBGOIBAVHRO-OAQYLSRUSA-N 2 2 341.499 3.190 20 30 EGEDLP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001158107381 1381129926 /nfs/dbraw/zinc/12/99/26/1381129926.db2.gz MQCJARZDIWFCBM-RTBURBONSA-N 2 2 346.519 3.359 20 30 EGEDLP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001158107381 1381129929 /nfs/dbraw/zinc/12/99/29/1381129929.db2.gz MQCJARZDIWFCBM-RTBURBONSA-N 2 2 346.519 3.359 20 30 EGEDLP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001158277014 1381182189 /nfs/dbraw/zinc/18/21/89/1381182189.db2.gz KUJZXOYMPIONSC-QZTJIDSGSA-N 2 2 346.519 3.020 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001158277014 1381182197 /nfs/dbraw/zinc/18/21/97/1381182197.db2.gz KUJZXOYMPIONSC-QZTJIDSGSA-N 2 2 346.519 3.020 20 30 EGEDLP C=CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001158533801 1381284908 /nfs/dbraw/zinc/28/49/08/1381284908.db2.gz HJZGYTPSPDOCSO-ZWKOTPCHSA-N 2 2 332.492 3.113 20 30 EGEDLP C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001158533801 1381284912 /nfs/dbraw/zinc/28/49/12/1381284912.db2.gz HJZGYTPSPDOCSO-ZWKOTPCHSA-N 2 2 332.492 3.113 20 30 EGEDLP CCCCCCC[N@H+]1CC=C(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001161784795 1382505342 /nfs/dbraw/zinc/50/53/42/1382505342.db2.gz KQHIPSSXISRSDF-UHFFFAOYSA-N 2 2 346.519 3.369 20 30 EGEDLP CCCCCCC[N@@H+]1CC=C(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001161784795 1382505344 /nfs/dbraw/zinc/50/53/44/1382505344.db2.gz KQHIPSSXISRSDF-UHFFFAOYSA-N 2 2 346.519 3.369 20 30 EGEDLP N#Cc1c[nH]c2cc[nH+]c(N3CCC([NH3+])(Cc4ccccc4F)CC3)c12 ZINC001161988762 1382590860 /nfs/dbraw/zinc/59/08/60/1382590860.db2.gz QKUVUJFWSAEEPJ-UHFFFAOYSA-N 2 2 349.413 3.114 20 30 EGEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc2ccc(C)cc2c[nH+]1 ZINC001171068937 1384440710 /nfs/dbraw/zinc/44/07/10/1384440710.db2.gz XAYJPBCOWCHQKA-KRWDZBQOSA-N 2 2 327.428 3.182 20 30 EGEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001171410021 1384515000 /nfs/dbraw/zinc/51/50/00/1384515000.db2.gz RCWWICLILXBWGJ-ZWKOTPCHSA-N 2 2 334.508 3.311 20 30 EGEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001171942204 1384690348 /nfs/dbraw/zinc/69/03/48/1384690348.db2.gz JGQHNXYFNIUKLI-QGZVFWFLSA-N 2 2 340.471 3.327 20 30 EGEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001175993559 1385455643 /nfs/dbraw/zinc/45/56/43/1385455643.db2.gz QXUCGTSBXAIHAG-QGZVFWFLSA-N 2 2 340.471 3.327 20 30 EGEDLP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001317973153 1385594153 /nfs/dbraw/zinc/59/41/53/1385594153.db2.gz QURUJLULXLKXQL-ROUUACIJSA-N 2 2 332.492 3.017 20 30 EGEDLP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001317973153 1385594156 /nfs/dbraw/zinc/59/41/56/1385594156.db2.gz QURUJLULXLKXQL-ROUUACIJSA-N 2 2 332.492 3.017 20 30 EGEDLP COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001319756807 1386282500 /nfs/dbraw/zinc/28/25/00/1386282500.db2.gz PNRQVSZJJKJLCG-SFHVURJKSA-N 2 2 336.439 3.347 20 30 EGEDLP COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001319756807 1386282504 /nfs/dbraw/zinc/28/25/04/1386282504.db2.gz PNRQVSZJJKJLCG-SFHVURJKSA-N 2 2 336.439 3.347 20 30 EGEDLP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001731292456 1427234823 /nfs/dbraw/zinc/23/48/23/1427234823.db2.gz FETYVMSYZXVVOH-DYVFJYSZSA-N 2 2 346.862 3.288 20 30 EGEDLP C=C(C)CC[NH2+][C@H](C)c1ccc(CNC(=O)Cc2[nH]c[nH+]c2C)cc1 ZINC001754948415 1440714118 /nfs/dbraw/zinc/71/41/18/1440714118.db2.gz IQVMYEROUGFTDP-OAHLLOKOSA-N 2 2 340.471 3.194 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc3c(cc2SC)OCCO3)CC1 ZINC000266202041 248168396 /nfs/dbraw/zinc/16/83/96/248168396.db2.gz LLVJQDHVUCPDLO-UHFFFAOYSA-N 2 2 348.512 3.310 20 30 EGEDLP Cc1ccc(CCC[NH+]2CCN(c3cccc(F)c3C#N)CC2)c[nH+]1 ZINC000353446784 141297744 /nfs/dbraw/zinc/29/77/44/141297744.db2.gz IWCCCRBVXXYWQR-UHFFFAOYSA-N 2 2 338.430 3.156 20 30 EGEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439437760 270051889 /nfs/dbraw/zinc/05/18/89/270051889.db2.gz IVVNDEJSWUGFFH-OAHLLOKOSA-N 2 2 328.847 3.400 20 30 EGEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439437760 270051890 /nfs/dbraw/zinc/05/18/90/270051890.db2.gz IVVNDEJSWUGFFH-OAHLLOKOSA-N 2 2 328.847 3.400 20 30 EGEDLP C[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000552225792 315207223 /nfs/dbraw/zinc/20/72/23/315207223.db2.gz NZAWPAKVUPLDEQ-ZWKOTPCHSA-N 2 2 340.515 3.380 20 30 EGEDLP C[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000552225792 315207225 /nfs/dbraw/zinc/20/72/25/315207225.db2.gz NZAWPAKVUPLDEQ-ZWKOTPCHSA-N 2 2 340.515 3.380 20 30 EGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000088715190 454117192 /nfs/dbraw/zinc/11/71/92/454117192.db2.gz IFURYTILPOQCQK-UTKZUKDTSA-N 2 2 335.451 3.199 20 30 EGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000088715190 454117193 /nfs/dbraw/zinc/11/71/93/454117193.db2.gz IFURYTILPOQCQK-UTKZUKDTSA-N 2 2 335.451 3.199 20 30 EGEDLP C=C(C)COc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)ccc1OC ZINC000057969362 454158341 /nfs/dbraw/zinc/15/83/41/454158341.db2.gz JBQZVWCSHMSGGS-MRXNPFEDSA-N 2 2 329.444 3.273 20 30 EGEDLP C[N@H+](CC(C)(C)CCC#N)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645391 454599672 /nfs/dbraw/zinc/59/96/72/454599672.db2.gz LZYXFKKYZXLCPP-UHFFFAOYSA-N 2 2 328.504 3.350 20 30 EGEDLP C[N@@H+](CC(C)(C)CCC#N)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645391 454599677 /nfs/dbraw/zinc/59/96/77/454599677.db2.gz LZYXFKKYZXLCPP-UHFFFAOYSA-N 2 2 328.504 3.350 20 30 EGEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000179880321 455093423 /nfs/dbraw/zinc/09/34/23/455093423.db2.gz FHCSUTGHUNDLCU-XLIONFOSSA-N 2 2 335.451 3.342 20 30 EGEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000179880321 455093428 /nfs/dbraw/zinc/09/34/28/455093428.db2.gz FHCSUTGHUNDLCU-XLIONFOSSA-N 2 2 335.451 3.342 20 30 EGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(OC)c(OCC(=C)C)c2)CC1 ZINC000237323297 455173190 /nfs/dbraw/zinc/17/31/90/455173190.db2.gz UUFDEGPDVAZLRW-UHFFFAOYSA-N 2 2 330.472 3.390 20 30 EGEDLP COc1cc(C[NH+](C)[C@H](C)CC#N)cc(C[N@H+](C)[C@H](C)CC#N)c1 ZINC000292681077 455729978 /nfs/dbraw/zinc/72/99/78/455729978.db2.gz RCEAUNIXZXXCJI-HZPDHXFCSA-N 2 2 328.460 3.163 20 30 EGEDLP COc1cc(C[NH+](C)[C@H](C)CC#N)cc(C[N@@H+](C)[C@H](C)CC#N)c1 ZINC000292681077 455729983 /nfs/dbraw/zinc/72/99/83/455729983.db2.gz RCEAUNIXZXXCJI-HZPDHXFCSA-N 2 2 328.460 3.163 20 30 EGEDLP CO[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271907111 455799317 /nfs/dbraw/zinc/79/93/17/455799317.db2.gz WYAHMZKSDQDYTC-PMACEKPBSA-N 2 2 327.472 3.070 20 30 EGEDLP CC[NH+]=C(NCCc1ccsc1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261961236 455979087 /nfs/dbraw/zinc/97/90/87/455979087.db2.gz KFTUOGSNOWKVEH-NVXWUHKLSA-N 2 2 345.516 3.036 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272700882 456044101 /nfs/dbraw/zinc/04/41/01/456044101.db2.gz YOXNPDGKLOUXLL-AZUAARDMSA-N 3 2 327.516 3.137 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272700882 456044104 /nfs/dbraw/zinc/04/41/04/456044104.db2.gz YOXNPDGKLOUXLL-AZUAARDMSA-N 3 2 327.516 3.137 20 30 EGEDLP CN(C(=[NH2+])NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1CC1 ZINC000273359002 456225288 /nfs/dbraw/zinc/22/52/88/456225288.db2.gz SIPDZKVRFOGPAU-HNNXBMFYSA-N 2 2 338.858 3.025 20 30 EGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000303541221 456467321 /nfs/dbraw/zinc/46/73/21/456467321.db2.gz GDYTYGHVZFQIOM-UFYCRDLUSA-N 2 2 349.563 3.386 20 30 EGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000303541221 456467323 /nfs/dbraw/zinc/46/73/23/456467323.db2.gz GDYTYGHVZFQIOM-UFYCRDLUSA-N 2 2 349.563 3.386 20 30 EGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000303541221 456467325 /nfs/dbraw/zinc/46/73/25/456467325.db2.gz GDYTYGHVZFQIOM-UFYCRDLUSA-N 2 2 349.563 3.386 20 30 EGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000303541221 456467326 /nfs/dbraw/zinc/46/73/26/456467326.db2.gz GDYTYGHVZFQIOM-UFYCRDLUSA-N 2 2 349.563 3.386 20 30 EGEDLP N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000276890404 456610222 /nfs/dbraw/zinc/61/02/22/456610222.db2.gz JXTGTLPWLSSXLZ-CYBMUJFWSA-N 2 2 345.244 3.423 20 30 EGEDLP N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000276890404 456610224 /nfs/dbraw/zinc/61/02/24/456610224.db2.gz JXTGTLPWLSSXLZ-CYBMUJFWSA-N 2 2 345.244 3.423 20 30 EGEDLP COc1ccc(C#N)cc1C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348317611 456618714 /nfs/dbraw/zinc/61/87/14/456618714.db2.gz AQWLIJWOCQLMLQ-SFTDATJTSA-N 2 2 347.462 3.131 20 30 EGEDLP C[NH+](C)[C@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000277021694 456655196 /nfs/dbraw/zinc/65/51/96/456655196.db2.gz ANIDKLNYPQNGKR-INIZCTEOSA-N 2 2 340.389 3.353 20 30 EGEDLP C[NH+](C)[C@H]1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000277021694 456655206 /nfs/dbraw/zinc/65/52/06/456655206.db2.gz ANIDKLNYPQNGKR-INIZCTEOSA-N 2 2 340.389 3.353 20 30 EGEDLP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328948542 456797837 /nfs/dbraw/zinc/79/78/37/456797837.db2.gz KNZXRMYBBKWKOM-MRXNPFEDSA-N 2 2 330.476 3.057 20 30 EGEDLP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000329580614 456911620 /nfs/dbraw/zinc/91/16/20/456911620.db2.gz WXFIXJVRABREAQ-UKRRQHHQSA-N 2 2 326.444 3.317 20 30 EGEDLP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000329580614 456911624 /nfs/dbraw/zinc/91/16/24/456911624.db2.gz WXFIXJVRABREAQ-UKRRQHHQSA-N 2 2 326.444 3.317 20 30 EGEDLP N#Cc1cccc(COc2cccc(C[NH2+][C@H]3CC[N@@H+](C4CC4)C3)c2)c1 ZINC000356875117 457191954 /nfs/dbraw/zinc/19/19/54/457191954.db2.gz YBQABHAQVSMDTH-FQEVSTJZSA-N 2 2 347.462 3.464 20 30 EGEDLP N#Cc1cccc(COc2cccc(C[NH2+][C@H]3CC[N@H+](C4CC4)C3)c2)c1 ZINC000356875117 457191959 /nfs/dbraw/zinc/19/19/59/457191959.db2.gz YBQABHAQVSMDTH-FQEVSTJZSA-N 2 2 347.462 3.464 20 30 EGEDLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C1CCN(c3ccc(C#N)cc3)CC1)CCC2 ZINC000375839290 458088919 /nfs/dbraw/zinc/08/89/19/458088919.db2.gz MCQSLSSCIUNBCN-SFHVURJKSA-N 2 2 349.482 3.199 20 30 EGEDLP CC(C)CC[N@H+](CCC#N)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420903619 458404198 /nfs/dbraw/zinc/40/41/98/458404198.db2.gz BGSNJKJGONWXCD-UHFFFAOYSA-N 2 2 329.488 3.281 20 30 EGEDLP CC(C)CC[N@@H+](CCC#N)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420903619 458404203 /nfs/dbraw/zinc/40/42/03/458404203.db2.gz BGSNJKJGONWXCD-UHFFFAOYSA-N 2 2 329.488 3.281 20 30 EGEDLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000421339402 458411098 /nfs/dbraw/zinc/41/10/98/458411098.db2.gz GAEOETLKOBYIBZ-OAHLLOKOSA-N 2 2 338.430 3.408 20 30 EGEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000567401946 459100178 /nfs/dbraw/zinc/10/01/78/459100178.db2.gz CCUKVGZKCAPRFW-CYBMUJFWSA-N 2 2 345.244 3.044 20 30 EGEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000567401946 459100175 /nfs/dbraw/zinc/10/01/75/459100175.db2.gz CCUKVGZKCAPRFW-CYBMUJFWSA-N 2 2 345.244 3.044 20 30 EGEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)CC2 ZINC000596650256 459714837 /nfs/dbraw/zinc/71/48/37/459714837.db2.gz NESGAFHIBJOPOK-JBACZVJFSA-N 2 2 335.426 3.420 20 30 EGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccc(C#N)c(F)c3)CC2)c1 ZINC000593691895 459953342 /nfs/dbraw/zinc/95/33/42/459953342.db2.gz TXEWHWKZMOCXMZ-UHFFFAOYSA-N 2 2 348.425 3.323 20 30 EGEDLP CC(C)(C#N)C[C@@H](O)C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000598622069 459966723 /nfs/dbraw/zinc/96/67/23/459966723.db2.gz KTPCXVHDKONNMH-MRXNPFEDSA-N 2 2 340.471 3.118 20 30 EGEDLP C=CC[N@@H+](Cc1cc(Br)ccc1F)C[C@@H]1CC[NH2+]C1 ZINC000647883278 461870325 /nfs/dbraw/zinc/87/03/25/461870325.db2.gz ASMPESPTKYGBCU-GFCCVEGCSA-N 2 2 327.241 3.186 20 30 EGEDLP C=CC[N@H+](Cc1cc(Br)ccc1F)C[C@@H]1CC[NH2+]C1 ZINC000647883278 461870331 /nfs/dbraw/zinc/87/03/31/461870331.db2.gz ASMPESPTKYGBCU-GFCCVEGCSA-N 2 2 327.241 3.186 20 30 EGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+](C)C2CCC2)c1=S ZINC000742173580 576755335 /nfs/dbraw/zinc/75/53/35/576755335.db2.gz SJKRCHGDESKBBS-UHFFFAOYSA-N 2 2 349.548 3.070 20 30 EGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+](C)C2CCC2)c1=S ZINC000742173580 576755338 /nfs/dbraw/zinc/75/53/38/576755338.db2.gz SJKRCHGDESKBBS-UHFFFAOYSA-N 2 2 349.548 3.070 20 30 EGEDLP [NH2+]=C(NCC[N@@H+]1CCc2sccc2C1)Nc1ccc2c(c1)CCC2 ZINC000261975353 1296612364 /nfs/dbraw/zinc/61/23/64/1296612364.db2.gz FRDNIOJLNDZGBA-UHFFFAOYSA-N 2 2 340.496 3.022 20 30 EGEDLP [NH2+]=C(NCC[N@H+]1CCc2sccc2C1)Nc1ccc2c(c1)CCC2 ZINC000261975353 1296612369 /nfs/dbraw/zinc/61/23/69/1296612369.db2.gz FRDNIOJLNDZGBA-UHFFFAOYSA-N 2 2 340.496 3.022 20 30 EGEDLP CCC(CC)[C@@H](CNC(=[NH2+])Nc1cc(C)cc(C)c1)[NH+]1CCOCC1 ZINC000303771989 1296850617 /nfs/dbraw/zinc/85/06/17/1296850617.db2.gz DEZLGLHWZHPLEV-LJQANCHMSA-N 2 2 346.519 3.167 20 30 EGEDLP CC(C)Oc1ccc(NC(=[NH2+])NCC[N@H+](C)Cc2ccccc2)cc1 ZINC000303895526 1296871994 /nfs/dbraw/zinc/87/19/94/1296871994.db2.gz TYJOLYPKYYQGSL-UHFFFAOYSA-N 2 2 340.471 3.332 20 30 EGEDLP CC(C)Oc1ccc(NC(=[NH2+])NCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000303895526 1296872013 /nfs/dbraw/zinc/87/20/13/1296872013.db2.gz TYJOLYPKYYQGSL-UHFFFAOYSA-N 2 2 340.471 3.332 20 30 EGEDLP CS[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000776163892 1304104982 /nfs/dbraw/zinc/10/49/82/1304104982.db2.gz WOYGWKWPHVYTFT-RBUKOAKNSA-N 2 2 329.513 3.396 20 30 EGEDLP C[NH+](C)c1ccc(N2CCC([NH2+]CCc3ccc(C#N)cc3)CC2)cc1 ZINC000850345461 1322231366 /nfs/dbraw/zinc/23/13/66/1322231366.db2.gz AZDWZXLJHGHHML-UHFFFAOYSA-N 2 2 348.494 3.425 20 30 EGEDLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cc(C#N)ccc2Br)C1 ZINC000921817178 1322404360 /nfs/dbraw/zinc/40/43/60/1322404360.db2.gz JBDAXSNMZYSDGR-CABCVRRESA-N 2 2 336.277 3.283 20 30 EGEDLP C=CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025422971 1324256580 /nfs/dbraw/zinc/25/65/80/1324256580.db2.gz OZHGSLNLGCGVLV-FUHWJXTLSA-N 2 2 340.471 3.049 20 30 EGEDLP C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025422971 1324256587 /nfs/dbraw/zinc/25/65/87/1324256587.db2.gz OZHGSLNLGCGVLV-FUHWJXTLSA-N 2 2 340.471 3.049 20 30 EGEDLP C=C(Cl)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459491 1324302091 /nfs/dbraw/zinc/30/20/91/1324302091.db2.gz OLPCVPBQBGGDBZ-UONOGXRCSA-N 2 2 346.862 3.146 20 30 EGEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459491 1324302094 /nfs/dbraw/zinc/30/20/94/1324302094.db2.gz OLPCVPBQBGGDBZ-UONOGXRCSA-N 2 2 346.862 3.146 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000963314244 1325098588 /nfs/dbraw/zinc/09/85/88/1325098588.db2.gz KAFLLRHBJWWFPT-IEBWSBKVSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000963314244 1325098596 /nfs/dbraw/zinc/09/85/96/1325098596.db2.gz KAFLLRHBJWWFPT-IEBWSBKVSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000963314244 1325098605 /nfs/dbraw/zinc/09/86/05/1325098605.db2.gz KAFLLRHBJWWFPT-IEBWSBKVSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000963314244 1325098610 /nfs/dbraw/zinc/09/86/10/1325098610.db2.gz KAFLLRHBJWWFPT-IEBWSBKVSA-N 2 2 344.503 3.012 20 30 EGEDLP CCC[N@H+](CCOCCC#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934186630 1329953548 /nfs/dbraw/zinc/95/35/48/1329953548.db2.gz VNEQTMYYZBOOJE-UHFFFAOYSA-N 2 2 329.488 3.293 20 30 EGEDLP CCC[N@@H+](CCOCCC#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934186630 1329953549 /nfs/dbraw/zinc/95/35/49/1329953549.db2.gz VNEQTMYYZBOOJE-UHFFFAOYSA-N 2 2 329.488 3.293 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033874481 1342054061 /nfs/dbraw/zinc/05/40/61/1342054061.db2.gz ZLLADYJYFOKXNO-MRXNPFEDSA-N 2 2 326.444 3.066 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033874481 1342054062 /nfs/dbraw/zinc/05/40/62/1342054062.db2.gz ZLLADYJYFOKXNO-MRXNPFEDSA-N 2 2 326.444 3.066 20 30 EGEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC001072095062 1355126625 /nfs/dbraw/zinc/12/66/25/1355126625.db2.gz FWPDEMIJDBLSQS-YJBOKZPZSA-N 2 2 349.906 3.083 20 30 EGEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC001072095062 1355126626 /nfs/dbraw/zinc/12/66/26/1355126626.db2.gz FWPDEMIJDBLSQS-YJBOKZPZSA-N 2 2 349.906 3.083 20 30 EGEDLP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001086946037 1359266958 /nfs/dbraw/zinc/26/69/58/1359266958.db2.gz ONMWZXDDBUHZAS-MSOLQXFVSA-N 2 2 344.503 3.113 20 30 EGEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001089692972 1360598355 /nfs/dbraw/zinc/59/83/55/1360598355.db2.gz GDPGSHUUDNUIOS-HOTGVXAUSA-N 2 2 344.503 3.013 20 30 EGEDLP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001089692972 1360598360 /nfs/dbraw/zinc/59/83/60/1360598360.db2.gz GDPGSHUUDNUIOS-HOTGVXAUSA-N 2 2 344.503 3.013 20 30 EGEDLP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001099121723 1363636026 /nfs/dbraw/zinc/63/60/26/1363636026.db2.gz NRHKTUZGMVURMU-QGZVFWFLSA-N 2 2 346.519 3.110 20 30 EGEDLP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001099121723 1363636028 /nfs/dbraw/zinc/63/60/28/1363636028.db2.gz NRHKTUZGMVURMU-QGZVFWFLSA-N 2 2 346.519 3.110 20 30 EGEDLP CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001185572400 1387753224 /nfs/dbraw/zinc/75/32/24/1387753224.db2.gz IURDHYIZIGUSMY-WMZOPIPTSA-N 2 2 348.535 3.305 20 30 EGEDLP C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)CCC1 ZINC001105532092 1366513796 /nfs/dbraw/zinc/51/37/96/1366513796.db2.gz GIWAEIGBVJBNCB-QGZVFWFLSA-N 2 2 344.503 3.059 20 30 EGEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001106455504 1366701244 /nfs/dbraw/zinc/70/12/44/1366701244.db2.gz XACJPFCUUHBKHS-CRAIPNDOSA-N 2 2 329.488 3.271 20 30 EGEDLP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001192427028 1367779416 /nfs/dbraw/zinc/77/94/16/1367779416.db2.gz UZUWWJRAZOBVKA-KZNAEPCWSA-N 2 2 346.519 3.027 20 30 EGEDLP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001192427028 1367779420 /nfs/dbraw/zinc/77/94/20/1367779420.db2.gz UZUWWJRAZOBVKA-KZNAEPCWSA-N 2 2 346.519 3.027 20 30 EGEDLP C=CCCCCC[N@H+]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001196268076 1368580020 /nfs/dbraw/zinc/58/00/20/1368580020.db2.gz AWRHODGUEGNHDF-UHFFFAOYSA-N 2 2 346.519 3.207 20 30 EGEDLP C=CCCCCC[N@@H+]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001196268076 1368580025 /nfs/dbraw/zinc/58/00/25/1368580025.db2.gz AWRHODGUEGNHDF-UHFFFAOYSA-N 2 2 346.519 3.207 20 30 EGEDLP C=CCCCCC[NH2+]C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001201588419 1369583714 /nfs/dbraw/zinc/58/37/14/1369583714.db2.gz AVXQJLOYCSEOAH-UHFFFAOYSA-N 2 2 340.471 3.275 20 30 EGEDLP CCCCCCCC[N@@H+]1CCC[C@@]2(C1)COCC[NH+](CCOC)C2 ZINC001201814358 1369627983 /nfs/dbraw/zinc/62/79/83/1369627983.db2.gz OGJRJFQWGNCEFX-FQEVSTJZSA-N 2 2 340.552 3.408 20 30 EGEDLP CCCCCCCC[N@H+]1CCC[C@@]2(C1)COCC[NH+](CCOC)C2 ZINC001201814358 1369627984 /nfs/dbraw/zinc/62/79/84/1369627984.db2.gz OGJRJFQWGNCEFX-FQEVSTJZSA-N 2 2 340.552 3.408 20 30 EGEDLP CCCCCCCC[NH+]1CCC[C@@]2(C1)COCC[N@H+](CCOC)C2 ZINC001201814358 1369627987 /nfs/dbraw/zinc/62/79/87/1369627987.db2.gz OGJRJFQWGNCEFX-FQEVSTJZSA-N 2 2 340.552 3.408 20 30 EGEDLP CCCCCCCC[NH+]1CCC[C@@]2(C1)COCC[N@@H+](CCOC)C2 ZINC001201814358 1369627990 /nfs/dbraw/zinc/62/79/90/1369627990.db2.gz OGJRJFQWGNCEFX-FQEVSTJZSA-N 2 2 340.552 3.408 20 30 EGEDLP CCCCCCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001202553073 1369805119 /nfs/dbraw/zinc/80/51/19/1369805119.db2.gz UXJJFMDZQKCGLI-QZTJIDSGSA-N 2 2 346.519 3.075 20 30 EGEDLP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C12CCC2 ZINC001203190963 1370017433 /nfs/dbraw/zinc/01/74/33/1370017433.db2.gz BQTWNMULDUFVRS-SJORKVTESA-N 2 2 327.472 3.214 20 30 EGEDLP CCCCCCC[NH2+]C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001203337040 1370088640 /nfs/dbraw/zinc/08/86/40/1370088640.db2.gz DNYXWWDYWBVIOF-UHFFFAOYSA-N 2 2 334.508 3.238 20 30 EGEDLP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001205500080 1370773690 /nfs/dbraw/zinc/77/36/90/1370773690.db2.gz DSOPYVXEHVZDNU-IBGZPJMESA-N 2 2 346.519 3.265 20 30 EGEDLP N#CCC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CCCC1 ZINC001206709576 1371142135 /nfs/dbraw/zinc/14/21/35/1371142135.db2.gz GHHAIEXFCMMVOX-UHFFFAOYSA-N 2 2 327.472 3.177 20 30 EGEDLP N#CCC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CCCC1 ZINC001206709576 1371142139 /nfs/dbraw/zinc/14/21/39/1371142139.db2.gz GHHAIEXFCMMVOX-UHFFFAOYSA-N 2 2 327.472 3.177 20 30 EGEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001208386538 1371746571 /nfs/dbraw/zinc/74/65/71/1371746571.db2.gz DNKFZSHUBAMZMH-MSOLQXFVSA-N 2 2 332.492 3.017 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001208994584 1371969096 /nfs/dbraw/zinc/96/90/96/1371969096.db2.gz BQXVTQDSMRZDEO-FGTMMUONSA-N 2 2 334.508 3.241 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001208994584 1371969104 /nfs/dbraw/zinc/96/91/04/1371969104.db2.gz BQXVTQDSMRZDEO-FGTMMUONSA-N 2 2 334.508 3.241 20 30 EGEDLP CCCCCCC[NH2+]C1CC2(CC(NC(=O)CCn3cc[nH+]c3)C2)C1 ZINC001121494770 1371991525 /nfs/dbraw/zinc/99/15/25/1371991525.db2.gz XVHXZQPBGLIIGN-UHFFFAOYSA-N 2 2 346.519 3.261 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001209865602 1372217160 /nfs/dbraw/zinc/21/71/60/1372217160.db2.gz INBQWILZGXNJCB-ZWKOTPCHSA-N 2 2 334.508 3.385 20 30 EGEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001215704881 1373233776 /nfs/dbraw/zinc/23/37/76/1373233776.db2.gz BIHDPBAQCOKSCW-FGTMMUONSA-N 2 2 332.492 3.017 20 30 EGEDLP Cc1nc(O[C@@H]2CC[C@@H](C)[NH2+]C2)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001218406373 1373608816 /nfs/dbraw/zinc/60/88/16/1373608816.db2.gz NNJKVPUCYDWVTM-CXAGYDPISA-N 2 2 347.422 3.096 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001222092204 1373817003 /nfs/dbraw/zinc/81/70/03/1373817003.db2.gz LBXCQXUFGDUMFD-GOSISDBHSA-N 2 2 334.508 3.214 20 30 EGEDLP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C ZINC001133270115 1375886266 /nfs/dbraw/zinc/88/62/66/1375886266.db2.gz IFPJRIQATNVJMW-SJLPKXTDSA-N 2 2 348.535 3.305 20 30 EGEDLP C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001230552404 1376073397 /nfs/dbraw/zinc/07/33/97/1376073397.db2.gz OPXCGMFNNLOWQR-SFHVURJKSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001230552404 1376073403 /nfs/dbraw/zinc/07/34/03/1376073403.db2.gz OPXCGMFNNLOWQR-SFHVURJKSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCOc1cccc(C[NH+]2CCC([NH+]3CCC(OC)CC3)CC2)c1 ZINC001231624634 1376285703 /nfs/dbraw/zinc/28/57/03/1376285703.db2.gz SHDDZSMACRKQGO-UHFFFAOYSA-N 2 2 344.499 3.327 20 30 EGEDLP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135840298 1377228997 /nfs/dbraw/zinc/22/89/97/1377228997.db2.gz GMECFRJJJOSDME-IRXDYDNUSA-N 2 2 340.471 3.325 20 30 EGEDLP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135840296 1377229004 /nfs/dbraw/zinc/22/90/04/1377229004.db2.gz GMECFRJJJOSDME-DLBZAZTESA-N 2 2 340.471 3.325 20 30 EGEDLP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135841190 1377229172 /nfs/dbraw/zinc/22/91/72/1377229172.db2.gz XHUXYQUBKDDVGL-IRXDYDNUSA-N 2 2 340.471 3.325 20 30 EGEDLP Cc1cc(N2CC[NH+](Cc3cccc(C#N)c3Cl)CC2)cc[nH+]1 ZINC001140814348 1378148934 /nfs/dbraw/zinc/14/89/34/1378148934.db2.gz IFZLTJQJZUQRCO-UHFFFAOYSA-N 2 2 326.831 3.237 20 30 EGEDLP N#Cc1cc[nH]c1C[NH+]1CCC2(CCC[N@H+](Cc3ccc[nH]3)C2)CC1 ZINC001276838320 1378188287 /nfs/dbraw/zinc/18/82/87/1378188287.db2.gz SBGLBDGXRNBUHT-UHFFFAOYSA-N 2 2 337.471 3.093 20 30 EGEDLP N#Cc1cc[nH]c1C[NH+]1CCC2(CCC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001276838320 1378188291 /nfs/dbraw/zinc/18/82/91/1378188291.db2.gz SBGLBDGXRNBUHT-UHFFFAOYSA-N 2 2 337.471 3.093 20 30 EGEDLP N#Cc1ccc(-c2ccc(F)cc2)nc1-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155053807 1380399255 /nfs/dbraw/zinc/39/92/55/1380399255.db2.gz RZRBRWASZOLPOP-UHFFFAOYSA-N 2 2 347.397 3.412 20 30 EGEDLP CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001156682983 1380610293 /nfs/dbraw/zinc/61/02/93/1380610293.db2.gz SBKBHWPGHVDCLM-QGZVFWFLSA-N 2 2 336.524 3.150 20 30 EGEDLP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001156682983 1380610294 /nfs/dbraw/zinc/61/02/94/1380610294.db2.gz SBKBHWPGHVDCLM-QGZVFWFLSA-N 2 2 336.524 3.150 20 30 EGEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1[nH+]ccc2cccc(C)c21 ZINC001159924295 1381939400 /nfs/dbraw/zinc/93/94/00/1381939400.db2.gz LTOWDBLDJNHUKR-INIZCTEOSA-N 2 2 327.428 3.182 20 30 EGEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc([NH+](CC)CC)ccc1C ZINC001171074600 1384441785 /nfs/dbraw/zinc/44/17/85/1384441785.db2.gz CVVYEUVYTAJCHT-SFHVURJKSA-N 2 2 347.503 3.480 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001179561010 1386514168 /nfs/dbraw/zinc/51/41/68/1386514168.db2.gz HHUGCFJQCQOPFR-DLBZAZTESA-N 2 2 346.519 3.451 20 30 EGEDLP C=CCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001753796705 1440489938 /nfs/dbraw/zinc/48/99/38/1440489938.db2.gz MWPOFVJDAWLJHP-ZWKOTPCHSA-N 2 2 346.519 3.110 20 30 EGEDLP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001755129952 1440756931 /nfs/dbraw/zinc/75/69/31/1440756931.db2.gz AGTMKRNNVWIXBX-GOSISDBHSA-N 2 2 346.519 3.407 20 30 EGEDLP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001755194771 1440776426 /nfs/dbraw/zinc/77/64/26/1440776426.db2.gz ZAFWAAXMIYWILZ-INIZCTEOSA-N 2 2 326.444 3.066 20 30 EGEDLP C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001755194771 1440776427 /nfs/dbraw/zinc/77/64/27/1440776427.db2.gz ZAFWAAXMIYWILZ-INIZCTEOSA-N 2 2 326.444 3.066 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]C1CCC(N(C)C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001755275307 1440798827 /nfs/dbraw/zinc/79/88/27/1440798827.db2.gz SLVAOGXOHVXUHJ-KLHKWILBSA-N 2 2 332.492 3.056 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]C1CCC(N(C)C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001755275307 1440798828 /nfs/dbraw/zinc/79/88/28/1440798828.db2.gz SLVAOGXOHVXUHJ-KLHKWILBSA-N 2 2 332.492 3.056 20 30 EGEDLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444771509 267334285 /nfs/dbraw/zinc/33/42/85/267334285.db2.gz PKUNXQKYQYJISB-QGZVFWFLSA-N 2 2 346.906 3.208 20 30 EGEDLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444771509 267334289 /nfs/dbraw/zinc/33/42/89/267334289.db2.gz PKUNXQKYQYJISB-QGZVFWFLSA-N 2 2 346.906 3.208 20 30 EGEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H](C)c3ccc(C#N)cc3)c2cc1C ZINC000298750190 267367078 /nfs/dbraw/zinc/36/70/78/267367078.db2.gz VVCNWRNXFONDMP-APWZRJJASA-N 2 2 348.450 3.237 20 30 EGEDLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000570579214 317076577 /nfs/dbraw/zinc/07/65/77/317076577.db2.gz FOPDNLDFANUIEG-HXUWFJFHSA-N 2 2 334.467 3.344 20 30 EGEDLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000570579214 317076579 /nfs/dbraw/zinc/07/65/79/317076579.db2.gz FOPDNLDFANUIEG-HXUWFJFHSA-N 2 2 334.467 3.344 20 30 EGEDLP Cc1cc(NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(C#N)c[nH+]1 ZINC000571635484 317226912 /nfs/dbraw/zinc/22/69/12/317226912.db2.gz HMJCPCFNIHCSFP-RDTXWAMCSA-N 2 2 326.469 3.240 20 30 EGEDLP Cc1cc(NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(C#N)c[nH+]1 ZINC000571635484 317226915 /nfs/dbraw/zinc/22/69/15/317226915.db2.gz HMJCPCFNIHCSFP-RDTXWAMCSA-N 2 2 326.469 3.240 20 30 EGEDLP C=CCOc1ccccc1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000069710692 454136438 /nfs/dbraw/zinc/13/64/38/454136438.db2.gz GSJRXKUOXAVBLT-UHFFFAOYSA-N 2 2 337.467 3.401 20 30 EGEDLP C#CCC[NH+]1CCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000091480557 454439987 /nfs/dbraw/zinc/43/99/87/454439987.db2.gz NMXIQHLLDIBMGJ-UHFFFAOYSA-N 2 2 344.256 3.143 20 30 EGEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1OC ZINC000092072804 454515671 /nfs/dbraw/zinc/51/56/71/454515671.db2.gz WMLZRFIJZOSVRN-INIZCTEOSA-N 2 2 327.428 3.363 20 30 EGEDLP C=CCOc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1OC ZINC000092072804 454515676 /nfs/dbraw/zinc/51/56/76/454515676.db2.gz WMLZRFIJZOSVRN-INIZCTEOSA-N 2 2 327.428 3.363 20 30 EGEDLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(F)cc3C#N)CC2)C[C@H](C)O1 ZINC000103142418 454539703 /nfs/dbraw/zinc/53/97/03/454539703.db2.gz APHSXHWQBNXDFV-IYBDPMFKSA-N 2 2 345.462 3.019 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2csc(-c3ccccn3)n2)CC1 ZINC000106245540 454687412 /nfs/dbraw/zinc/68/74/12/454687412.db2.gz NSGJURCEJJITTP-UHFFFAOYSA-N 2 2 328.485 3.335 20 30 EGEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C#N)cc3Br)CC[C@H]21 ZINC000245528428 455322113 /nfs/dbraw/zinc/32/21/13/455322113.db2.gz BKNIJVKCJWFWAM-NVXWUHKLSA-N 2 2 348.288 3.237 20 30 EGEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C#N)cc3Br)CC[C@H]21 ZINC000245528428 455322114 /nfs/dbraw/zinc/32/21/14/455322114.db2.gz BKNIJVKCJWFWAM-NVXWUHKLSA-N 2 2 348.288 3.237 20 30 EGEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(C#N)cc3Br)CC[C@H]21 ZINC000245528428 455322118 /nfs/dbraw/zinc/32/21/18/455322118.db2.gz BKNIJVKCJWFWAM-NVXWUHKLSA-N 2 2 348.288 3.237 20 30 EGEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3Br)CC[C@H]21 ZINC000245528428 455322122 /nfs/dbraw/zinc/32/21/22/455322122.db2.gz BKNIJVKCJWFWAM-NVXWUHKLSA-N 2 2 348.288 3.237 20 30 EGEDLP C=CC[NH+]1CCC([NH2+]Cc2c(F)cccc2Br)CC1 ZINC000192539480 455639219 /nfs/dbraw/zinc/63/92/19/455639219.db2.gz SHZMPSZVVAWZDI-UHFFFAOYSA-N 2 2 327.241 3.328 20 30 EGEDLP C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000248905534 455737966 /nfs/dbraw/zinc/73/79/66/455737966.db2.gz YHKQNHCUNXMEMP-WMZOPIPTSA-N 2 2 338.455 3.166 20 30 EGEDLP C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000248905534 455737975 /nfs/dbraw/zinc/73/79/75/455737975.db2.gz YHKQNHCUNXMEMP-WMZOPIPTSA-N 2 2 338.455 3.166 20 30 EGEDLP CO[C@@H]1[C@@H](C)[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000271899390 455798614 /nfs/dbraw/zinc/79/86/14/455798614.db2.gz VFORVTCDGVRYMW-RYGJVYDSSA-N 2 2 341.499 3.172 20 30 EGEDLP CO[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271907115 455799081 /nfs/dbraw/zinc/79/90/81/455799081.db2.gz WYAHMZKSDQDYTC-VQTJNVASSA-N 2 2 327.472 3.070 20 30 EGEDLP CN(CCC#N)c1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000271053228 456114291 /nfs/dbraw/zinc/11/42/91/456114291.db2.gz XPMZNFBKOMWQRA-UHFFFAOYSA-N 2 2 340.515 3.487 20 30 EGEDLP CCOCC(C)(C)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000290183415 456261498 /nfs/dbraw/zinc/26/14/98/456261498.db2.gz FNZHVEYTGFCFMN-UHFFFAOYSA-N 2 2 329.488 3.175 20 30 EGEDLP COc1cc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)ccc1C#N ZINC000282114758 456416550 /nfs/dbraw/zinc/41/65/50/456416550.db2.gz ALSFCWDOYKQWNH-UHFFFAOYSA-N 2 2 337.423 3.314 20 30 EGEDLP COc1cc(C[NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)ccc1C#N ZINC000353194354 456550971 /nfs/dbraw/zinc/55/09/71/456550971.db2.gz TVUHDSAVBPIKRV-JXFKEZNVSA-N 2 2 335.451 3.492 20 30 EGEDLP COc1cc(C[NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)ccc1C#N ZINC000353194354 456550976 /nfs/dbraw/zinc/55/09/76/456550976.db2.gz TVUHDSAVBPIKRV-JXFKEZNVSA-N 2 2 335.451 3.492 20 30 EGEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC000353390866 456669213 /nfs/dbraw/zinc/66/92/13/456669213.db2.gz VMEZDBINAXDUJM-QFIPXVFZSA-N 2 2 347.462 3.168 20 30 EGEDLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000330309462 457025779 /nfs/dbraw/zinc/02/57/79/457025779.db2.gz UGAYRZXEALEPHF-INIZCTEOSA-N 2 2 346.475 3.079 20 30 EGEDLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000330309462 457025782 /nfs/dbraw/zinc/02/57/82/457025782.db2.gz UGAYRZXEALEPHF-INIZCTEOSA-N 2 2 346.475 3.079 20 30 EGEDLP C=CCc1cc(C[NH+]2CCC([NH2+]CC3CC3)CC2)cc(OC)c1O ZINC000347109767 457234530 /nfs/dbraw/zinc/23/45/30/457234530.db2.gz PMECAKPNFXPQCJ-UHFFFAOYSA-N 2 2 330.472 3.093 20 30 EGEDLP C=C(CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)c1ccccc1 ZINC000352205750 457347893 /nfs/dbraw/zinc/34/78/93/457347893.db2.gz IASMWKDDOZMKEW-UHFFFAOYSA-N 2 2 328.379 3.336 20 30 EGEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1OC ZINC000365821703 457778602 /nfs/dbraw/zinc/77/86/02/457778602.db2.gz QWKOIPXOCNRMIR-QGZVFWFLSA-N 2 2 341.455 3.373 20 30 EGEDLP C=CCOc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1OC ZINC000365821703 457778614 /nfs/dbraw/zinc/77/86/14/457778614.db2.gz QWKOIPXOCNRMIR-QGZVFWFLSA-N 2 2 341.455 3.373 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000474713579 458897767 /nfs/dbraw/zinc/89/77/67/458897767.db2.gz YCQOYBDGZCCOSJ-CVEARBPZSA-N 2 2 332.488 3.436 20 30 EGEDLP N#CCC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000594503443 459065388 /nfs/dbraw/zinc/06/53/88/459065388.db2.gz WJYKXFZWKQSVSU-VQTJNVASSA-N 2 2 327.472 3.264 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595014472 459215660 /nfs/dbraw/zinc/21/56/60/459215660.db2.gz VUUYKOCQGLISNC-CQSZACIVSA-N 2 2 333.432 3.295 20 30 EGEDLP CCOC1CCC([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000595046637 459227176 /nfs/dbraw/zinc/22/71/76/459227176.db2.gz LWRUWQYKKVJTPX-UHFFFAOYSA-N 2 2 341.499 3.460 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000559754405 459276514 /nfs/dbraw/zinc/27/65/14/459276514.db2.gz ZRFZIMPAKSKEIO-NHCUHLMSSA-N 3 2 327.516 3.452 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000559754405 459276519 /nfs/dbraw/zinc/27/65/19/459276519.db2.gz ZRFZIMPAKSKEIO-NHCUHLMSSA-N 3 2 327.516 3.452 20 30 EGEDLP C=CCC[C@H](C)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000541760322 459488799 /nfs/dbraw/zinc/48/87/99/459488799.db2.gz HADFNJXBOQSDSB-HNNXBMFYSA-N 2 2 328.460 3.204 20 30 EGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)c1cncc(F)c1 ZINC000593693433 459954641 /nfs/dbraw/zinc/95/46/41/459954641.db2.gz ZDEYBCQFNDXVMI-OAHLLOKOSA-N 2 2 338.430 3.408 20 30 EGEDLP C[C@H]1C[C@H]([NH+](C)Cc2cccc(C#N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000602478187 459957785 /nfs/dbraw/zinc/95/77/85/459957785.db2.gz ZXJZEEKEGJTNIO-LAUBAEHRSA-N 2 2 334.467 3.438 20 30 EGEDLP C[C@H]1C[C@H]([NH+](C)Cc2cccc(C#N)n2)CC[N@H+]1Cc1ccccc1 ZINC000602478187 459957791 /nfs/dbraw/zinc/95/77/91/459957791.db2.gz ZXJZEEKEGJTNIO-LAUBAEHRSA-N 2 2 334.467 3.438 20 30 EGEDLP C[C@H]1C[C@H]([N@H+](C)Cc2cccc(C#N)n2)CC[NH+]1Cc1ccccc1 ZINC000602478187 459957795 /nfs/dbraw/zinc/95/77/95/459957795.db2.gz ZXJZEEKEGJTNIO-LAUBAEHRSA-N 2 2 334.467 3.438 20 30 EGEDLP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(C#N)n2)CC[NH+]1Cc1ccccc1 ZINC000602478187 459957800 /nfs/dbraw/zinc/95/78/00/459957800.db2.gz ZXJZEEKEGJTNIO-LAUBAEHRSA-N 2 2 334.467 3.438 20 30 EGEDLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602502604 459970711 /nfs/dbraw/zinc/97/07/11/459970711.db2.gz GPNZHYVSNZODIX-MRXNPFEDSA-N 2 2 340.471 3.423 20 30 EGEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000602511200 459976732 /nfs/dbraw/zinc/97/67/32/459976732.db2.gz NDEOLLNUYBDCSA-KRWDZBQOSA-N 2 2 338.455 3.120 20 30 EGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3cccc(F)c3N)CC2)c1 ZINC000602703677 460074610 /nfs/dbraw/zinc/07/46/10/460074610.db2.gz ATQGKZGYFQFBEW-UHFFFAOYSA-N 2 2 338.430 3.034 20 30 EGEDLP N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000618808021 460184513 /nfs/dbraw/zinc/18/45/13/460184513.db2.gz YNQXKAVNDDVPNU-OAQYLSRUSA-N 2 2 332.451 3.195 20 30 EGEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(OC(F)F)c1 ZINC000610613788 460197081 /nfs/dbraw/zinc/19/70/81/460197081.db2.gz NNSGGCSHMMLOAQ-HNNXBMFYSA-N 2 2 332.354 3.193 20 30 EGEDLP N#Cc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(OC(F)F)c1 ZINC000610613788 460197085 /nfs/dbraw/zinc/19/70/85/460197085.db2.gz NNSGGCSHMMLOAQ-HNNXBMFYSA-N 2 2 332.354 3.193 20 30 EGEDLP C=CCOc1c(Cl)cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000623403523 460530491 /nfs/dbraw/zinc/53/04/91/460530491.db2.gz ZFZNAJUITAUQOI-AWEZNQCLSA-N 2 2 336.863 3.240 20 30 EGEDLP C=CCOc1c(Cl)cc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000623403523 460530498 /nfs/dbraw/zinc/53/04/98/460530498.db2.gz ZFZNAJUITAUQOI-AWEZNQCLSA-N 2 2 336.863 3.240 20 30 EGEDLP CC1(C)C[C@@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CCO1 ZINC000601964754 460963505 /nfs/dbraw/zinc/96/35/05/460963505.db2.gz SXHKTMVVIZOOQO-IBGZPJMESA-N 2 2 327.472 3.070 20 30 EGEDLP CC1(C)C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C(C)(C)O1 ZINC000181261459 527740502 /nfs/dbraw/zinc/74/05/02/527740502.db2.gz BUYGMPVHQXXHMU-IBGZPJMESA-N 2 2 341.499 3.458 20 30 EGEDLP C#CCC[NH+]1CCC(NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000743491212 576810322 /nfs/dbraw/zinc/81/03/22/576810322.db2.gz COLXOOGTKKZAAV-UHFFFAOYSA-N 2 2 349.434 3.091 20 30 EGEDLP CCc1cccc(NC(=[NH2+])NC[C@@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000104173553 1293019092 /nfs/dbraw/zinc/01/90/92/1293019092.db2.gz LEXHKNSQJZHBKX-CQSZACIVSA-N 2 2 342.512 3.484 20 30 EGEDLP CCc1cccc(NC(=[NH2+])NC[C@@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000104173553 1293019101 /nfs/dbraw/zinc/01/91/01/1293019101.db2.gz LEXHKNSQJZHBKX-CQSZACIVSA-N 2 2 342.512 3.484 20 30 EGEDLP COc1cccc([C@@H](CNC(=[NH2+])Nc2cc(C)cc(C)c2)[NH+](C)C)c1 ZINC000303778826 1296851845 /nfs/dbraw/zinc/85/18/45/1296851845.db2.gz JYMHVLGLNFZXAY-LJQANCHMSA-N 2 2 340.471 3.342 20 30 EGEDLP Cc1cc(C)cc(NC(=[NH2+])NCC[N@@H+](C)Cc2ccc(F)cc2)c1 ZINC000304699487 1296934954 /nfs/dbraw/zinc/93/49/54/1296934954.db2.gz JCLKXOASYNZCKV-UHFFFAOYSA-N 2 2 328.435 3.301 20 30 EGEDLP Cc1cc(C)cc(NC(=[NH2+])NCC[N@H+](C)Cc2ccc(F)cc2)c1 ZINC000304699487 1296934961 /nfs/dbraw/zinc/93/49/61/1296934961.db2.gz JCLKXOASYNZCKV-UHFFFAOYSA-N 2 2 328.435 3.301 20 30 EGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1CCOC2(CCOCC2)C1)C(C)C ZINC000885921294 1303277237 /nfs/dbraw/zinc/27/72/37/1303277237.db2.gz YGQNYWZTMGAWFJ-RBUKOAKNSA-N 2 2 336.520 3.003 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000776155212 1304103354 /nfs/dbraw/zinc/10/33/54/1304103354.db2.gz DIGWTJZCCDFXNG-UHFFFAOYSA-N 2 2 347.462 3.247 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC000902795886 1317617811 /nfs/dbraw/zinc/61/78/11/1317617811.db2.gz KPJYXQSBFJKHQQ-NVXWUHKLSA-N 2 2 337.508 3.014 20 30 EGEDLP Cc1ccc([C@H](CNC(=[NH+]Cc2ccccc2)N(C)C)[NH+](C)C)cc1 ZINC000849068951 1322065059 /nfs/dbraw/zinc/06/50/59/1322065059.db2.gz BQTXFYBXKXHASN-FQEVSTJZSA-N 2 2 338.499 3.305 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025238815 1324031381 /nfs/dbraw/zinc/03/13/81/1324031381.db2.gz WROFWXJTCMNRPS-RTBURBONSA-N 2 2 344.503 3.154 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025238815 1324031388 /nfs/dbraw/zinc/03/13/88/1324031388.db2.gz WROFWXJTCMNRPS-RTBURBONSA-N 2 2 344.503 3.154 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025238815 1324031394 /nfs/dbraw/zinc/03/13/94/1324031394.db2.gz WROFWXJTCMNRPS-RTBURBONSA-N 2 2 344.503 3.154 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025238815 1324031398 /nfs/dbraw/zinc/03/13/98/1324031398.db2.gz WROFWXJTCMNRPS-RTBURBONSA-N 2 2 344.503 3.154 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025481284 1324329438 /nfs/dbraw/zinc/32/94/38/1324329438.db2.gz GGBLCFXOFKSTNQ-IRXDYDNUSA-N 2 2 340.471 3.131 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025481284 1324329445 /nfs/dbraw/zinc/32/94/45/1324329445.db2.gz GGBLCFXOFKSTNQ-IRXDYDNUSA-N 2 2 340.471 3.131 20 30 EGEDLP C=C(C)C[NH2+]C1CCC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000963550826 1325310193 /nfs/dbraw/zinc/31/01/93/1325310193.db2.gz GIWPHVXSGWHIQS-UHFFFAOYSA-N 2 2 326.444 3.112 20 30 EGEDLP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001016688392 1338690620 /nfs/dbraw/zinc/69/06/20/1338690620.db2.gz QUVCZKHOAFDGSG-SFHVURJKSA-N 2 2 338.455 3.113 20 30 EGEDLP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001034328431 1342403162 /nfs/dbraw/zinc/40/31/62/1342403162.db2.gz VLYKJHKKQYVINR-GOSISDBHSA-N 2 2 338.455 3.033 20 30 EGEDLP C=CCC[N@H+]1CCCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001034328431 1342403164 /nfs/dbraw/zinc/40/31/64/1342403164.db2.gz VLYKJHKKQYVINR-GOSISDBHSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001052381236 1348536656 /nfs/dbraw/zinc/53/66/56/1348536656.db2.gz MZPAMMAHNYAZFU-GOSISDBHSA-N 2 2 340.471 3.193 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001052381236 1348536658 /nfs/dbraw/zinc/53/66/58/1348536658.db2.gz MZPAMMAHNYAZFU-GOSISDBHSA-N 2 2 340.471 3.193 20 30 EGEDLP C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053080145 1348901406 /nfs/dbraw/zinc/90/14/06/1348901406.db2.gz AUQCMUBFSDTDCA-ROUUACIJSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053080145 1348901414 /nfs/dbraw/zinc/90/14/14/1348901414.db2.gz AUQCMUBFSDTDCA-ROUUACIJSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1CC ZINC001087624626 1359560861 /nfs/dbraw/zinc/56/08/61/1359560861.db2.gz PVUNMUTUYWISQM-FUHWJXTLSA-N 2 2 326.444 3.112 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1CC ZINC001087624626 1359560865 /nfs/dbraw/zinc/56/08/65/1359560865.db2.gz PVUNMUTUYWISQM-FUHWJXTLSA-N 2 2 326.444 3.112 20 30 EGEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC(C)(C)C1 ZINC001089442796 1360432752 /nfs/dbraw/zinc/43/27/52/1360432752.db2.gz UGTISCAHKUTUTK-MRXNPFEDSA-N 2 2 340.471 3.131 20 30 EGEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC(C)(C)C1 ZINC001089442796 1360432756 /nfs/dbraw/zinc/43/27/56/1360432756.db2.gz UGTISCAHKUTUTK-MRXNPFEDSA-N 2 2 340.471 3.131 20 30 EGEDLP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001184651793 1387503204 /nfs/dbraw/zinc/50/32/04/1387503204.db2.gz INHOHXDICYFTLP-JKSUJKDBSA-N 2 2 340.471 3.217 20 30 EGEDLP CCCCCCC[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001184905545 1387559817 /nfs/dbraw/zinc/55/98/17/1387559817.db2.gz WBDDBBMWXQHLFW-RBUKOAKNSA-N 2 2 348.535 3.318 20 30 EGEDLP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001099251650 1363713816 /nfs/dbraw/zinc/71/38/16/1363713816.db2.gz MUHOZGMHSRNWIE-DLBZAZTESA-N 2 2 332.492 3.017 20 30 EGEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001099251650 1363713820 /nfs/dbraw/zinc/71/38/20/1363713820.db2.gz MUHOZGMHSRNWIE-DLBZAZTESA-N 2 2 332.492 3.017 20 30 EGEDLP CCCCCCC[NH2+]C1CC(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001100441167 1364115814 /nfs/dbraw/zinc/11/58/14/1364115814.db2.gz GNFSZLLZXQIIKH-UHFFFAOYSA-N 2 2 348.535 3.381 20 30 EGEDLP CCCCCCC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001185504860 1387734946 /nfs/dbraw/zinc/73/49/46/1387734946.db2.gz XOMCSHWHWAZEKS-ZWKOTPCHSA-N 2 2 348.535 3.007 20 30 EGEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001103252445 1365457527 /nfs/dbraw/zinc/45/75/27/1365457527.db2.gz NMCUWIMDBMRUPG-CRAIPNDOSA-N 2 2 329.488 3.271 20 30 EGEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001103252445 1365457529 /nfs/dbraw/zinc/45/75/29/1365457529.db2.gz NMCUWIMDBMRUPG-CRAIPNDOSA-N 2 2 329.488 3.271 20 30 EGEDLP CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001104908904 1366219562 /nfs/dbraw/zinc/21/95/62/1366219562.db2.gz PXDHKYGKFDWRNJ-QZTJIDSGSA-N 2 2 348.535 3.007 20 30 EGEDLP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001106464273 1366703997 /nfs/dbraw/zinc/70/39/97/1366703997.db2.gz PNAKLLPCWIBSAI-QZTJIDSGSA-N 2 2 348.535 3.007 20 30 EGEDLP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001190756822 1367343385 /nfs/dbraw/zinc/34/33/85/1367343385.db2.gz XXGHCAOJAQGFNB-BRWVUGGUSA-N 2 2 332.492 3.016 20 30 EGEDLP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001190756822 1367343389 /nfs/dbraw/zinc/34/33/89/1367343389.db2.gz XXGHCAOJAQGFNB-BRWVUGGUSA-N 2 2 332.492 3.016 20 30 EGEDLP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001190756822 1367343396 /nfs/dbraw/zinc/34/33/96/1367343396.db2.gz XXGHCAOJAQGFNB-BRWVUGGUSA-N 2 2 332.492 3.016 20 30 EGEDLP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001190756822 1367343399 /nfs/dbraw/zinc/34/33/99/1367343399.db2.gz XXGHCAOJAQGFNB-BRWVUGGUSA-N 2 2 332.492 3.016 20 30 EGEDLP C=C(C)CC[NH2+]C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001201864541 1369636519 /nfs/dbraw/zinc/63/65/19/1369636519.db2.gz QYFILQIZKKRKBG-UHFFFAOYSA-N 2 2 338.455 3.033 20 30 EGEDLP C=CCCCCC[NH2+][C@@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C12CCC2 ZINC001203014371 1369954289 /nfs/dbraw/zinc/95/42/89/1369954289.db2.gz PCEMRFFRXAODTN-MSOLQXFVSA-N 2 2 344.503 3.106 20 30 EGEDLP C=CCCCCC[NH2+][C@@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C12CCC2 ZINC001203014371 1369954294 /nfs/dbraw/zinc/95/42/94/1369954294.db2.gz PCEMRFFRXAODTN-MSOLQXFVSA-N 2 2 344.503 3.106 20 30 EGEDLP C=CCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C12CCC2 ZINC001203014372 1369954455 /nfs/dbraw/zinc/95/44/55/1369954455.db2.gz PCEMRFFRXAODTN-QZTJIDSGSA-N 2 2 344.503 3.106 20 30 EGEDLP C=CCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C12CCC2 ZINC001203014372 1369954461 /nfs/dbraw/zinc/95/44/61/1369954461.db2.gz PCEMRFFRXAODTN-QZTJIDSGSA-N 2 2 344.503 3.106 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001208559571 1371816917 /nfs/dbraw/zinc/81/69/17/1371816917.db2.gz RZBQJZOHVSMWQS-JFIYKMOQSA-N 2 2 346.519 3.237 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001208559571 1371816920 /nfs/dbraw/zinc/81/69/20/1371816920.db2.gz RZBQJZOHVSMWQS-JFIYKMOQSA-N 2 2 346.519 3.237 20 30 EGEDLP Cc1cc(C#N)ccc1C[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001233079776 1376564317 /nfs/dbraw/zinc/56/43/17/1376564317.db2.gz NEYMWWKGTROPTL-NRFANRHFSA-N 2 2 341.499 3.190 20 30 EGEDLP Cc1cc(C#N)ccc1C[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001233079776 1376564321 /nfs/dbraw/zinc/56/43/21/1376564321.db2.gz NEYMWWKGTROPTL-NRFANRHFSA-N 2 2 341.499 3.190 20 30 EGEDLP Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001233079776 1376564330 /nfs/dbraw/zinc/56/43/30/1376564330.db2.gz NEYMWWKGTROPTL-NRFANRHFSA-N 2 2 341.499 3.190 20 30 EGEDLP Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001233079776 1376564334 /nfs/dbraw/zinc/56/43/34/1376564334.db2.gz NEYMWWKGTROPTL-NRFANRHFSA-N 2 2 341.499 3.190 20 30 EGEDLP C[N@@H+](Cc1ccc(C#N)cc1O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001233386880 1376633235 /nfs/dbraw/zinc/63/32/35/1376633235.db2.gz LSPZJIWKAOXVSD-LJQANCHMSA-N 2 2 335.451 3.218 20 30 EGEDLP C[N@H+](Cc1ccc(C#N)cc1O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001233386880 1376633241 /nfs/dbraw/zinc/63/32/41/1376633241.db2.gz LSPZJIWKAOXVSD-LJQANCHMSA-N 2 2 335.451 3.218 20 30 EGEDLP C[NH+](Cc1ccc(C#N)cc1O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001233386880 1376633246 /nfs/dbraw/zinc/63/32/46/1376633246.db2.gz LSPZJIWKAOXVSD-LJQANCHMSA-N 2 2 335.451 3.218 20 30 EGEDLP C[NH+](Cc1ccc(C#N)cc1O)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001233386880 1376633248 /nfs/dbraw/zinc/63/32/48/1376633248.db2.gz LSPZJIWKAOXVSD-LJQANCHMSA-N 2 2 335.451 3.218 20 30 EGEDLP CCCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001135057516 1376873162 /nfs/dbraw/zinc/87/31/62/1376873162.db2.gz WLCLFGLOWNXLML-IRXDYDNUSA-N 2 2 336.524 3.196 20 30 EGEDLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc(F)c(C#N)c(F)c2)CC1 ZINC001140752546 1378129376 /nfs/dbraw/zinc/12/93/76/1378129376.db2.gz VMAFDXFVTXPTBF-UHFFFAOYSA-N 2 2 342.393 3.279 20 30 EGEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141113686 1378242655 /nfs/dbraw/zinc/24/26/55/1378242655.db2.gz OOXLHGXVTPIZQG-NSHDSACASA-N 2 2 348.859 3.212 20 30 EGEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141113686 1378242659 /nfs/dbraw/zinc/24/26/59/1378242659.db2.gz OOXLHGXVTPIZQG-NSHDSACASA-N 2 2 348.859 3.212 20 30 EGEDLP CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001154083076 1380202007 /nfs/dbraw/zinc/20/20/07/1380202007.db2.gz FPERXFUOFRQCPF-QZTJIDSGSA-N 2 2 348.535 3.243 20 30 EGEDLP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001154083076 1380202009 /nfs/dbraw/zinc/20/20/09/1380202009.db2.gz FPERXFUOFRQCPF-QZTJIDSGSA-N 2 2 348.535 3.243 20 30 EGEDLP C=CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001158217063 1381161624 /nfs/dbraw/zinc/16/16/24/1381161624.db2.gz BTXAURGHPXFBJL-QGZVFWFLSA-N 2 2 340.471 3.227 20 30 EGEDLP C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001158217063 1381161629 /nfs/dbraw/zinc/16/16/29/1381161629.db2.gz BTXAURGHPXFBJL-QGZVFWFLSA-N 2 2 340.471 3.227 20 30 EGEDLP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001158277015 1381182724 /nfs/dbraw/zinc/18/27/24/1381182724.db2.gz KUJZXOYMPIONSC-ZWKOTPCHSA-N 2 2 346.519 3.020 20 30 EGEDLP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001158277015 1381182728 /nfs/dbraw/zinc/18/27/28/1381182728.db2.gz KUJZXOYMPIONSC-ZWKOTPCHSA-N 2 2 346.519 3.020 20 30 EGEDLP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001162841120 1382892200 /nfs/dbraw/zinc/89/22/00/1382892200.db2.gz MNBMRLSXWIOIGS-UHFFFAOYSA-N 2 2 348.450 3.023 20 30 EGEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(C)c2ccc(C)cc2[nH+]1 ZINC001171067493 1384440599 /nfs/dbraw/zinc/44/05/99/1384440599.db2.gz HJRDZIREURZIPW-KRWDZBQOSA-N 2 2 341.455 3.490 20 30 EGEDLP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001171604157 1384576982 /nfs/dbraw/zinc/57/69/82/1384576982.db2.gz HEFOYIFLCGRATB-NVXWUHKLSA-N 2 2 346.519 3.054 20 30 EGEDLP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001171604157 1384576983 /nfs/dbraw/zinc/57/69/83/1384576983.db2.gz HEFOYIFLCGRATB-NVXWUHKLSA-N 2 2 346.519 3.054 20 30 EGEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001171942539 1384691024 /nfs/dbraw/zinc/69/10/24/1384691024.db2.gz OMNSMDBORZPRPO-KRWDZBQOSA-N 2 2 340.471 3.327 20 30 EGEDLP C=CCN1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172072170 1384717784 /nfs/dbraw/zinc/71/77/84/1384717784.db2.gz HUFKDHBWXPBPPS-ZBYYUNFXSA-N 2 2 339.527 3.376 20 30 EGEDLP C=CCN1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172072170 1384717787 /nfs/dbraw/zinc/71/77/87/1384717787.db2.gz HUFKDHBWXPBPPS-ZBYYUNFXSA-N 2 2 339.527 3.376 20 30 EGEDLP C=CCOC1CCC([NH2+]CC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001173314999 1384956505 /nfs/dbraw/zinc/95/65/05/1384956505.db2.gz YYOFGNIEDCZYFM-UHFFFAOYSA-N 2 2 329.488 3.401 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178864590 1386332624 /nfs/dbraw/zinc/33/26/24/1386332624.db2.gz KJBUVJDUPZAXJK-ROUUACIJSA-N 2 2 346.519 3.066 20 30 EGEDLP C=CCC[NH2+]CCCCCCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001179820088 1386596111 /nfs/dbraw/zinc/59/61/11/1386596111.db2.gz JEIJZYDNILRYEL-UHFFFAOYSA-N 2 2 342.487 3.028 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001753690432 1440466350 /nfs/dbraw/zinc/46/63/50/1440466350.db2.gz WIMJQDZFCYOSOQ-CABCVRRESA-N 2 2 328.460 3.048 20 30 EGEDLP C=C(C)C[NH2+]C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCCCC1 ZINC001753746724 1440481246 /nfs/dbraw/zinc/48/12/46/1440481246.db2.gz BALLEFFWZBZSNK-IBGZPJMESA-N 2 2 340.471 3.407 20 30 EGEDLP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC001755144048 1440762544 /nfs/dbraw/zinc/76/25/44/1440762544.db2.gz VYQZAIDZZFETAE-GOSISDBHSA-N 2 2 346.519 3.224 20 30 EGEDLP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC001755144048 1440762545 /nfs/dbraw/zinc/76/25/45/1440762545.db2.gz VYQZAIDZZFETAE-GOSISDBHSA-N 2 2 346.519 3.224 20 30 EGEDLP C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001755194313 1440776088 /nfs/dbraw/zinc/77/60/88/1440776088.db2.gz RXZTYICFCVEZJC-SJORKVTESA-N 2 2 340.471 3.225 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001755194313 1440776089 /nfs/dbraw/zinc/77/60/89/1440776089.db2.gz RXZTYICFCVEZJC-SJORKVTESA-N 2 2 340.471 3.225 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3Cc4ccccc4O3)CC2)cc1 ZINC000344130165 164111158 /nfs/dbraw/zinc/11/11/58/164111158.db2.gz QRNIKKPPXIJDFQ-NRFANRHFSA-N 2 2 347.462 3.116 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3COCc4ccccc43)CC2)cc1 ZINC000417367624 270047975 /nfs/dbraw/zinc/04/79/75/270047975.db2.gz PXYKXLYXWMWPLV-QFIPXVFZSA-N 2 2 347.462 3.384 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3CCSCC3)CC2)cc1 ZINC000271879063 266742626 /nfs/dbraw/zinc/74/26/26/266742626.db2.gz PBQPVYKDYLQOAX-UHFFFAOYSA-N 2 2 329.513 3.255 20 30 EGEDLP C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CCCn1cc[nH+]c1 ZINC000181109907 455289064 /nfs/dbraw/zinc/28/90/64/455289064.db2.gz XDJXVSKBDVBVSZ-UHFFFAOYSA-N 2 2 337.345 3.155 20 30 EGEDLP C=CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+](CC)CC)C2)cc1OC ZINC000093693392 454730490 /nfs/dbraw/zinc/73/04/90/454730490.db2.gz KOTLMSGTZBCRNK-SFHVURJKSA-N 2 2 332.488 3.424 20 30 EGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)cc1OC ZINC000093693392 454730492 /nfs/dbraw/zinc/73/04/92/454730492.db2.gz KOTLMSGTZBCRNK-SFHVURJKSA-N 2 2 332.488 3.424 20 30 EGEDLP C=C(C)COc1cc(C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)ccc1OC ZINC000093770744 454734302 /nfs/dbraw/zinc/73/43/02/454734302.db2.gz PPKNKARKCRDVGX-GOSISDBHSA-N 2 2 332.488 3.424 20 30 EGEDLP C=C(C)COc1cc(C[NH+]2CC[C@H](C[N@H+](C)CC)C2)ccc1OC ZINC000093770744 454734308 /nfs/dbraw/zinc/73/43/08/454734308.db2.gz PPKNKARKCRDVGX-GOSISDBHSA-N 2 2 332.488 3.424 20 30 EGEDLP C=C(C)COc1cc(C[N@H+]2CC[C@H](C[NH+](C)CC)C2)ccc1OC ZINC000093770744 454734312 /nfs/dbraw/zinc/73/43/12/454734312.db2.gz PPKNKARKCRDVGX-GOSISDBHSA-N 2 2 332.488 3.424 20 30 EGEDLP C=C(C)COc1cc(C[N@@H+]2CC[C@H](C[NH+](C)CC)C2)ccc1OC ZINC000093770744 454734314 /nfs/dbraw/zinc/73/43/14/454734314.db2.gz PPKNKARKCRDVGX-GOSISDBHSA-N 2 2 332.488 3.424 20 30 EGEDLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1OCCCC#N ZINC000147163634 454862956 /nfs/dbraw/zinc/86/29/56/454862956.db2.gz XKHGYYKQDFQXIG-QZTJIDSGSA-N 2 2 343.471 3.094 20 30 EGEDLP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1OCCCC#N ZINC000147163634 454862957 /nfs/dbraw/zinc/86/29/57/454862957.db2.gz XKHGYYKQDFQXIG-QZTJIDSGSA-N 2 2 343.471 3.094 20 30 EGEDLP C[N@H+](C[C@H](O)c1ccc(C#N)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000127674656 454987046 /nfs/dbraw/zinc/98/70/46/454987046.db2.gz BMLBFFMDRFBFMP-QFIPXVFZSA-N 2 2 349.478 3.188 20 30 EGEDLP C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000127674656 454987048 /nfs/dbraw/zinc/98/70/48/454987048.db2.gz BMLBFFMDRFBFMP-QFIPXVFZSA-N 2 2 349.478 3.188 20 30 EGEDLP N#Cc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)s1 ZINC000192355035 455596020 /nfs/dbraw/zinc/59/60/20/455596020.db2.gz TYKRHEKYWIRVAQ-KRWDZBQOSA-N 2 2 341.480 3.000 20 30 EGEDLP N#Cc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)s1 ZINC000192355035 455596026 /nfs/dbraw/zinc/59/60/26/455596026.db2.gz TYKRHEKYWIRVAQ-KRWDZBQOSA-N 2 2 341.480 3.000 20 30 EGEDLP C=CC[NH+](CC=C)[C@H](CN[C@H](c1[nH]cc[nH+]1)c1cccnc1)C(C)C ZINC000279985115 455879510 /nfs/dbraw/zinc/87/95/10/455879510.db2.gz DVXJASIFYDAOLH-MOPGFXCFSA-N 2 2 339.487 3.182 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2nc3ccc(Cl)cc3n2C)CC1 ZINC000270632677 456000545 /nfs/dbraw/zinc/00/05/45/456000545.db2.gz MQVXQRIDTCSJRL-UHFFFAOYSA-N 2 2 332.879 3.357 20 30 EGEDLP C#CCOc1ccc(C[N@@H+](Cc2ccco2)C2CC[NH+](C)CC2)cc1 ZINC000290368247 456307014 /nfs/dbraw/zinc/30/70/14/456307014.db2.gz HGSLYWUIQGFQNP-UHFFFAOYSA-N 2 2 338.451 3.388 20 30 EGEDLP C#CCOc1ccc(C[N@H+](Cc2ccco2)C2CC[NH+](C)CC2)cc1 ZINC000290368247 456307021 /nfs/dbraw/zinc/30/70/21/456307021.db2.gz HGSLYWUIQGFQNP-UHFFFAOYSA-N 2 2 338.451 3.388 20 30 EGEDLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)CC1(C#N)CC1 ZINC000343313594 456525094 /nfs/dbraw/zinc/52/50/94/456525094.db2.gz UEKCJCGEEIDZAN-UHFFFAOYSA-N 2 2 338.455 3.478 20 30 EGEDLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)CC1(C#N)CC1 ZINC000343313594 456525100 /nfs/dbraw/zinc/52/51/00/456525100.db2.gz UEKCJCGEEIDZAN-UHFFFAOYSA-N 2 2 338.455 3.478 20 30 EGEDLP N#Cc1ccc(F)c(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000348315224 456617395 /nfs/dbraw/zinc/61/73/95/456617395.db2.gz HYGDDSXXFCDVFY-PMACEKPBSA-N 2 2 335.426 3.261 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@H](C(=O)OCC)c3ccccc32)CC1 ZINC000283506162 456792565 /nfs/dbraw/zinc/79/25/65/456792565.db2.gz ZCUBIYDFHMNEJA-VQTJNVASSA-N 2 2 342.483 3.408 20 30 EGEDLP CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CC1)C2 ZINC000330204000 457002793 /nfs/dbraw/zinc/00/27/93/457002793.db2.gz BGXBRHQLJSVPEF-DZGCQCFKSA-N 2 2 330.476 3.079 20 30 EGEDLP CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CC1)C2 ZINC000330204000 457002797 /nfs/dbraw/zinc/00/27/97/457002797.db2.gz BGXBRHQLJSVPEF-DZGCQCFKSA-N 2 2 330.476 3.079 20 30 EGEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000330243920 457010720 /nfs/dbraw/zinc/01/07/20/457010720.db2.gz CWROGDSMAJZJCG-SJORKVTESA-N 2 2 347.507 3.076 20 30 EGEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000330243920 457010725 /nfs/dbraw/zinc/01/07/25/457010725.db2.gz CWROGDSMAJZJCG-SJORKVTESA-N 2 2 347.507 3.076 20 30 EGEDLP Cc1cc(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(C#N)c[nH+]1 ZINC000425227649 457464868 /nfs/dbraw/zinc/46/48/68/457464868.db2.gz RVQVLWIMXLHSRN-HNNXBMFYSA-N 2 2 326.469 3.069 20 30 EGEDLP C[N@@H+](Cc1ccc(CC#N)cc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434726381 458041919 /nfs/dbraw/zinc/04/19/19/458041919.db2.gz BBRDVXYPHQJEPF-SFTDATJTSA-N 2 2 334.467 3.272 20 30 EGEDLP C[N@H+](Cc1ccc(CC#N)cc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434726381 458041926 /nfs/dbraw/zinc/04/19/26/458041926.db2.gz BBRDVXYPHQJEPF-SFTDATJTSA-N 2 2 334.467 3.272 20 30 EGEDLP C[NH+](Cc1ccc(CC#N)cc1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434726381 458041931 /nfs/dbraw/zinc/04/19/31/458041931.db2.gz BBRDVXYPHQJEPF-SFTDATJTSA-N 2 2 334.467 3.272 20 30 EGEDLP C[NH+](Cc1ccc(CC#N)cc1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434726381 458041935 /nfs/dbraw/zinc/04/19/35/458041935.db2.gz BBRDVXYPHQJEPF-SFTDATJTSA-N 2 2 334.467 3.272 20 30 EGEDLP CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000375918049 458125310 /nfs/dbraw/zinc/12/53/10/458125310.db2.gz TXTYWHCMFHNUKB-HXUWFJFHSA-N 2 2 336.439 3.085 20 30 EGEDLP CN(CCC#N)c1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000375918049 458125315 /nfs/dbraw/zinc/12/53/15/458125315.db2.gz TXTYWHCMFHNUKB-HXUWFJFHSA-N 2 2 336.439 3.085 20 30 EGEDLP CC(C)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)OCC1CC1 ZINC000414276442 458317153 /nfs/dbraw/zinc/31/71/53/458317153.db2.gz VUIRNFDPLSKREI-UHFFFAOYSA-N 2 2 341.499 3.317 20 30 EGEDLP CO[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C12CCC2 ZINC000459726266 458457905 /nfs/dbraw/zinc/45/79/05/458457905.db2.gz BMLMRVNNVLHPJK-PMACEKPBSA-N 2 2 339.483 3.070 20 30 EGEDLP CCCCCCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000377713866 458512479 /nfs/dbraw/zinc/51/24/79/458512479.db2.gz BQWSPMDIPWAZMT-MVCQKVDPSA-N 2 2 337.552 3.409 20 30 EGEDLP CCCCCCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000377713866 458512484 /nfs/dbraw/zinc/51/24/84/458512484.db2.gz BQWSPMDIPWAZMT-MVCQKVDPSA-N 2 2 337.552 3.409 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000559754407 459275463 /nfs/dbraw/zinc/27/54/63/459275463.db2.gz ZRFZIMPAKSKEIO-SFTDATJTSA-N 3 2 327.516 3.452 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000559754407 459275468 /nfs/dbraw/zinc/27/54/68/459275468.db2.gz ZRFZIMPAKSKEIO-SFTDATJTSA-N 3 2 327.516 3.452 20 30 EGEDLP CC1CCC(O)(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000596059293 459504941 /nfs/dbraw/zinc/50/49/41/459504941.db2.gz XQFYOBRBMICZNU-UHFFFAOYSA-N 2 2 341.499 3.053 20 30 EGEDLP C#CCn1ccc(C[N@@H+](CC)Cc2ccc(-n3cc[nH+]c3)cc2C)n1 ZINC000491770289 459669698 /nfs/dbraw/zinc/66/96/98/459669698.db2.gz MJSQIGSRPLTNQT-UHFFFAOYSA-N 2 2 333.439 3.033 20 30 EGEDLP C#CCn1ccc(C[N@H+](CC)Cc2ccc(-n3cc[nH+]c3)cc2C)n1 ZINC000491770289 459669702 /nfs/dbraw/zinc/66/97/02/459669702.db2.gz MJSQIGSRPLTNQT-UHFFFAOYSA-N 2 2 333.439 3.033 20 30 EGEDLP N#Cc1csc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593692566 459954173 /nfs/dbraw/zinc/95/41/73/459954173.db2.gz GACFOMZMGONDNT-UHFFFAOYSA-N 2 2 336.464 3.246 20 30 EGEDLP Cc1[nH+]c2ccccc2n1C1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598609684 459963392 /nfs/dbraw/zinc/96/33/92/459963392.db2.gz CTLVQEIHANWOSZ-KRWDZBQOSA-N 2 2 340.471 3.282 20 30 EGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000602534112 459986717 /nfs/dbraw/zinc/98/67/17/459986717.db2.gz OFLWXFOPZYUBSN-MSOLQXFVSA-N 2 2 341.499 3.122 20 30 EGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000602534112 459986725 /nfs/dbraw/zinc/98/67/25/459986725.db2.gz OFLWXFOPZYUBSN-MSOLQXFVSA-N 2 2 341.499 3.122 20 30 EGEDLP N#CCCn1cc(C[NH2+]CCCCn2cc[nH+]c2)c(-c2ccccc2)n1 ZINC000609598745 459992116 /nfs/dbraw/zinc/99/21/16/459992116.db2.gz ICJQKVVDMVUATP-UHFFFAOYSA-N 2 2 348.454 3.230 20 30 EGEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000602553132 459993808 /nfs/dbraw/zinc/99/38/08/459993808.db2.gz VOQBAWFRFXATIK-ROUUACIJSA-N 2 2 329.488 3.195 20 30 EGEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000602553132 459993810 /nfs/dbraw/zinc/99/38/10/459993810.db2.gz VOQBAWFRFXATIK-ROUUACIJSA-N 2 2 329.488 3.195 20 30 EGEDLP CC(C)Cc1ccc([C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)[NH+](C)C)cc1 ZINC000598728207 460008135 /nfs/dbraw/zinc/00/81/35/460008135.db2.gz PBBVQFPYNKWDCJ-VQTJNVASSA-N 2 2 345.531 3.378 20 30 EGEDLP Cc1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H](C)CC3(C#N)CCOCC3)C2)cc1 ZINC000602743964 460103432 /nfs/dbraw/zinc/10/34/32/460103432.db2.gz VHUGAGRCCQOBDK-ICSRJNTNSA-N 2 2 341.499 3.258 20 30 EGEDLP Cc1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H](C)CC3(C#N)CCOCC3)C2)cc1 ZINC000602743964 460103437 /nfs/dbraw/zinc/10/34/37/460103437.db2.gz VHUGAGRCCQOBDK-ICSRJNTNSA-N 2 2 341.499 3.258 20 30 EGEDLP CCOC1CC(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000189246990 528493745 /nfs/dbraw/zinc/49/37/45/528493745.db2.gz MRFWAMIYAJNGFH-UHFFFAOYSA-N 2 2 341.499 3.317 20 30 EGEDLP CC[NH+](CC)[C@H](CNC(NCc1ccco1)=[NH+]C)c1ccsc1 ZINC000103337871 1293003980 /nfs/dbraw/zinc/00/39/80/1293003980.db2.gz NZJUNHWAJVRXET-MRXNPFEDSA-N 2 2 334.489 3.089 20 30 EGEDLP C[NH+](C)[C@H](CNC(=[NH2+])NCC1CCC1)c1cccc(C(F)(F)F)c1 ZINC000183891230 1295157248 /nfs/dbraw/zinc/15/72/48/1295157248.db2.gz DMVAATAHDHHQTA-OAHLLOKOSA-N 2 2 342.409 3.013 20 30 EGEDLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C#N)ccc2Br)C1 ZINC000921582091 1322358085 /nfs/dbraw/zinc/35/80/85/1322358085.db2.gz QCTFOGSFRACEIN-AWEZNQCLSA-N 2 2 336.277 3.142 20 30 EGEDLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C#N)ccc2Br)C1 ZINC000921582091 1322358089 /nfs/dbraw/zinc/35/80/89/1322358089.db2.gz QCTFOGSFRACEIN-AWEZNQCLSA-N 2 2 336.277 3.142 20 30 EGEDLP Cc1ccccc1OCCCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000747838919 1298868226 /nfs/dbraw/zinc/86/82/26/1298868226.db2.gz RNLYWYDGZMTIFA-UHFFFAOYSA-N 2 2 341.455 3.163 20 30 EGEDLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+]C[C@H](C)CCC#N ZINC000876828114 1299019112 /nfs/dbraw/zinc/01/91/12/1299019112.db2.gz LWODFLKXCJBFDW-MRXNPFEDSA-N 2 2 330.476 3.189 20 30 EGEDLP C#CCOc1cccc(Cl)c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000779164512 1304536867 /nfs/dbraw/zinc/53/68/67/1304536867.db2.gz SWOGCEBTSXSBSS-QAPCUYQASA-N 2 2 332.875 3.268 20 30 EGEDLP C#CCOc1cccc(Cl)c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000779164512 1304536871 /nfs/dbraw/zinc/53/68/71/1304536871.db2.gz SWOGCEBTSXSBSS-QAPCUYQASA-N 2 2 332.875 3.268 20 30 EGEDLP C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000779164512 1304536875 /nfs/dbraw/zinc/53/68/75/1304536875.db2.gz SWOGCEBTSXSBSS-QAPCUYQASA-N 2 2 332.875 3.268 20 30 EGEDLP C#CCOc1cccc(Cl)c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000779164512 1304536878 /nfs/dbraw/zinc/53/68/78/1304536878.db2.gz SWOGCEBTSXSBSS-QAPCUYQASA-N 2 2 332.875 3.268 20 30 EGEDLP C=C(C)CC[NH+]1CCC2(CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)CC1 ZINC000957560393 1317457822 /nfs/dbraw/zinc/45/78/22/1317457822.db2.gz YCOPHKYBSWAPMN-UHFFFAOYSA-N 2 2 344.503 3.013 20 30 EGEDLP C=C(C)CC[NH+]1CCC2(CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)CC1 ZINC000957560393 1317457825 /nfs/dbraw/zinc/45/78/25/1317457825.db2.gz YCOPHKYBSWAPMN-UHFFFAOYSA-N 2 2 344.503 3.013 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001025293864 1324121892 /nfs/dbraw/zinc/12/18/92/1324121892.db2.gz VMEJBNVJJYMDJX-RBUKOAKNSA-N 2 2 344.503 3.072 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001025293864 1324121894 /nfs/dbraw/zinc/12/18/94/1324121894.db2.gz VMEJBNVJJYMDJX-RBUKOAKNSA-N 2 2 344.503 3.072 20 30 EGEDLP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3c(C)cc(C)[nH+]c3C)C[C@H]12 ZINC001026316681 1324720991 /nfs/dbraw/zinc/72/09/91/1324720991.db2.gz GZNKPIYAGOJWKG-FGTMMUONSA-N 2 2 327.472 3.023 20 30 EGEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000940839202 1331213574 /nfs/dbraw/zinc/21/35/74/1331213574.db2.gz MDTLLJAUSOEKAU-MRXNPFEDSA-N 2 2 346.862 3.146 20 30 EGEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000940839202 1331213576 /nfs/dbraw/zinc/21/35/76/1331213576.db2.gz MDTLLJAUSOEKAU-MRXNPFEDSA-N 2 2 346.862 3.146 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC000947315338 1333085980 /nfs/dbraw/zinc/08/59/80/1333085980.db2.gz RFARXIBEJNPJQG-YJBOKZPZSA-N 2 2 340.471 3.192 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC000947315338 1333085982 /nfs/dbraw/zinc/08/59/82/1333085982.db2.gz RFARXIBEJNPJQG-YJBOKZPZSA-N 2 2 340.471 3.192 20 30 EGEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000947877251 1333288143 /nfs/dbraw/zinc/28/81/43/1333288143.db2.gz BGYATSJXRACHLT-SJLPKXTDSA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000947877251 1333288145 /nfs/dbraw/zinc/28/81/45/1333288145.db2.gz BGYATSJXRACHLT-SJLPKXTDSA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000969022330 1336120193 /nfs/dbraw/zinc/12/01/93/1336120193.db2.gz BXCFDXOEUBITQO-IAGOWNOFSA-N 2 2 344.503 3.157 20 30 EGEDLP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000969022330 1336120195 /nfs/dbraw/zinc/12/01/95/1336120195.db2.gz BXCFDXOEUBITQO-IAGOWNOFSA-N 2 2 344.503 3.157 20 30 EGEDLP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)c1cc3c[nH+]ccc3[nH]1)CC2 ZINC001035198834 1343012845 /nfs/dbraw/zinc/01/28/45/1343012845.db2.gz VBVINZSKEPGFBQ-UHFFFAOYSA-N 2 2 338.455 3.067 20 30 EGEDLP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)c1cc3c[nH+]ccc3[nH]1)CC2 ZINC001035198834 1343012848 /nfs/dbraw/zinc/01/28/48/1343012848.db2.gz VBVINZSKEPGFBQ-UHFFFAOYSA-N 2 2 338.455 3.067 20 30 EGEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001103118516 1365392778 /nfs/dbraw/zinc/39/27/78/1365392778.db2.gz BVINNXGBBFQELA-GUDVDZBRSA-N 2 2 346.519 3.121 20 30 EGEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001103118516 1365392782 /nfs/dbraw/zinc/39/27/82/1365392782.db2.gz BVINNXGBBFQELA-GUDVDZBRSA-N 2 2 346.519 3.121 20 30 EGEDLP C=CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001108699829 1367540502 /nfs/dbraw/zinc/54/05/02/1367540502.db2.gz MZWDUVLXWDBTII-WDSOQIARSA-N 2 2 344.503 3.058 20 30 EGEDLP C=CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001108699829 1367540506 /nfs/dbraw/zinc/54/05/06/1367540506.db2.gz MZWDUVLXWDBTII-WDSOQIARSA-N 2 2 344.503 3.058 20 30 EGEDLP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001111784541 1368460597 /nfs/dbraw/zinc/46/05/97/1368460597.db2.gz PIIWRWZXPFFCNO-BJLQDIEVSA-N 2 2 344.503 3.017 20 30 EGEDLP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001111784541 1368460598 /nfs/dbraw/zinc/46/05/98/1368460598.db2.gz PIIWRWZXPFFCNO-BJLQDIEVSA-N 2 2 344.503 3.017 20 30 EGEDLP CCCCCCC[N@@H+]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001197818167 1368905687 /nfs/dbraw/zinc/90/56/87/1368905687.db2.gz XZFFAFWUFBXHDK-UHFFFAOYSA-N 2 2 334.508 3.192 20 30 EGEDLP CCCCCCC[N@H+]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001197818167 1368905693 /nfs/dbraw/zinc/90/56/93/1368905693.db2.gz XZFFAFWUFBXHDK-UHFFFAOYSA-N 2 2 334.508 3.192 20 30 EGEDLP C=CCCCCC[NH+]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001113016099 1369138900 /nfs/dbraw/zinc/13/89/00/1369138900.db2.gz UGYDUDVPORTJNN-UHFFFAOYSA-N 2 2 326.444 3.067 20 30 EGEDLP CCCCCCC[NH+]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001113016184 1369138983 /nfs/dbraw/zinc/13/89/83/1369138983.db2.gz ZIRGLGUKZMKQEJ-UHFFFAOYSA-N 2 2 328.460 3.291 20 30 EGEDLP C=CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001202447197 1369774615 /nfs/dbraw/zinc/77/46/15/1369774615.db2.gz JITLFJJEUPXLOZ-KRWDZBQOSA-N 2 2 344.503 3.157 20 30 EGEDLP C=CCCCCC[NH2+]C1(CNC(=O)Cc2[nH]c[nH+]c2C)CCCCC1 ZINC001120068737 1371476807 /nfs/dbraw/zinc/47/68/07/1371476807.db2.gz OSQUAFYZVMTFKL-UHFFFAOYSA-N 2 2 346.519 3.416 20 30 EGEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001208386591 1371746517 /nfs/dbraw/zinc/74/65/17/1371746517.db2.gz FTVZBBRNOZBNDT-QZTJIDSGSA-N 2 2 332.492 3.017 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001208559731 1371816956 /nfs/dbraw/zinc/81/69/56/1371816956.db2.gz XKSPWOFVXNWYDM-SOLBZPMBSA-N 2 2 344.503 3.013 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001208559731 1371816959 /nfs/dbraw/zinc/81/69/59/1371816959.db2.gz XKSPWOFVXNWYDM-SOLBZPMBSA-N 2 2 344.503 3.013 20 30 EGEDLP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001121271690 1371917366 /nfs/dbraw/zinc/91/73/66/1371917366.db2.gz KNBOBLHLPGQICI-WZXTXQKWSA-N 2 2 344.503 3.063 20 30 EGEDLP N#Cc1ccccc1O[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC001209451469 1372109673 /nfs/dbraw/zinc/10/96/73/1372109673.db2.gz ZUFCIIJUCPNQOI-IBGZPJMESA-N 2 2 327.472 3.277 20 30 EGEDLP N#Cc1ccccc1O[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001209451469 1372109680 /nfs/dbraw/zinc/10/96/80/1372109680.db2.gz ZUFCIIJUCPNQOI-IBGZPJMESA-N 2 2 327.472 3.277 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132030210 1375106695 /nfs/dbraw/zinc/10/66/95/1375106695.db2.gz SPGDZXHJMZODBI-IAGOWNOFSA-N 2 2 334.508 3.282 20 30 EGEDLP CCCCCCC[N@H+]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132030210 1375106700 /nfs/dbraw/zinc/10/67/00/1375106700.db2.gz SPGDZXHJMZODBI-IAGOWNOFSA-N 2 2 334.508 3.282 20 30 EGEDLP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001226250676 1375227054 /nfs/dbraw/zinc/22/70/54/1375227054.db2.gz GLNUQMQYGMFUNI-QZTJIDSGSA-N 2 2 340.471 3.240 20 30 EGEDLP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001226964899 1375373595 /nfs/dbraw/zinc/37/35/95/1375373595.db2.gz MHSZRQNIMNCWIC-QRVBRYPASA-N 2 2 346.519 3.454 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[C@@H]1C ZINC001132458899 1375402330 /nfs/dbraw/zinc/40/23/30/1375402330.db2.gz YXDQDMOSGRFHLJ-ZWKOTPCHSA-N 2 2 348.535 3.292 20 30 EGEDLP CCCCCCC[N@H+]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[C@@H]1C ZINC001132458899 1375402333 /nfs/dbraw/zinc/40/23/33/1375402333.db2.gz YXDQDMOSGRFHLJ-ZWKOTPCHSA-N 2 2 348.535 3.292 20 30 EGEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001132919798 1375644871 /nfs/dbraw/zinc/64/48/71/1375644871.db2.gz NFKZRRQDYYCNSH-NVXWUHKLSA-N 2 2 340.471 3.217 20 30 EGEDLP C(#Cc1ccc(C[N@@H+]2CCC[C@]3(C[NH2+]CCO3)C2)cc1)c1ccccc1 ZINC001235113866 1376845974 /nfs/dbraw/zinc/84/59/74/1376845974.db2.gz HDGNMUHOVHIZOF-QHCPKHFHSA-N 2 2 346.474 3.041 20 30 EGEDLP C(#Cc1ccc(C[N@H+]2CCC[C@]3(C[NH2+]CCO3)C2)cc1)c1ccccc1 ZINC001235113866 1376845981 /nfs/dbraw/zinc/84/59/81/1376845981.db2.gz HDGNMUHOVHIZOF-QHCPKHFHSA-N 2 2 346.474 3.041 20 30 EGEDLP C=CCc1cccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c1O ZINC001138626596 1377755795 /nfs/dbraw/zinc/75/57/95/1377755795.db2.gz LJASTBLBPSKGNR-SFTDATJTSA-N 2 2 349.478 3.080 20 30 EGEDLP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001153930610 1380157218 /nfs/dbraw/zinc/15/72/18/1380157218.db2.gz SYBASLMILGNXGU-QZTJIDSGSA-N 2 2 334.508 3.263 20 30 EGEDLP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001153930610 1380157220 /nfs/dbraw/zinc/15/72/20/1380157220.db2.gz SYBASLMILGNXGU-QZTJIDSGSA-N 2 2 334.508 3.263 20 30 EGEDLP CCCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001158653657 1381338996 /nfs/dbraw/zinc/33/89/96/1381338996.db2.gz IADYHINAFLNQMI-QGZVFWFLSA-N 2 2 334.508 3.236 20 30 EGEDLP CCCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001158653657 1381339002 /nfs/dbraw/zinc/33/90/02/1381339002.db2.gz IADYHINAFLNQMI-QGZVFWFLSA-N 2 2 334.508 3.236 20 30 EGEDLP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161433737 1382408842 /nfs/dbraw/zinc/40/88/42/1382408842.db2.gz ILCGJLAOQDTAHJ-SJORKVTESA-N 2 2 344.503 3.081 20 30 EGEDLP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161433737 1382408844 /nfs/dbraw/zinc/40/88/44/1382408844.db2.gz ILCGJLAOQDTAHJ-SJORKVTESA-N 2 2 344.503 3.081 20 30 EGEDLP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161433737 1382408845 /nfs/dbraw/zinc/40/88/45/1382408845.db2.gz ILCGJLAOQDTAHJ-SJORKVTESA-N 2 2 344.503 3.081 20 30 EGEDLP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161433737 1382408847 /nfs/dbraw/zinc/40/88/47/1382408847.db2.gz ILCGJLAOQDTAHJ-SJORKVTESA-N 2 2 344.503 3.081 20 30 EGEDLP C=CCCCCC[NH2+]CC1(CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001167422170 1383629568 /nfs/dbraw/zinc/62/95/68/1383629568.db2.gz IZNMDOUHGLLLHO-QGZVFWFLSA-N 2 2 346.519 3.211 20 30 EGEDLP C=CCCCCC[NH2+]CC1(CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001167422170 1383629570 /nfs/dbraw/zinc/62/95/70/1383629570.db2.gz IZNMDOUHGLLLHO-QGZVFWFLSA-N 2 2 346.519 3.211 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CCCC[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001176810842 1385710441 /nfs/dbraw/zinc/71/04/41/1385710441.db2.gz QQWPCSHKOHKUSM-QZTJIDSGSA-N 2 2 334.508 3.283 20 30 EGEDLP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001177431191 1385953884 /nfs/dbraw/zinc/95/38/84/1385953884.db2.gz OCHUPHLQMOIZNS-SFHVURJKSA-N 2 2 346.519 3.409 20 30 EGEDLP C=C(C)C[NH+]1CCC(N(CCC)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001752439809 1440180877 /nfs/dbraw/zinc/18/08/77/1440180877.db2.gz KFIHOENVLDZNIC-UHFFFAOYSA-N 2 2 340.471 3.227 20 30 EGEDLP C=CCC[C@H](C)[N@@H+]1CC[C@@](C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001754669659 1440657672 /nfs/dbraw/zinc/65/76/72/1440657672.db2.gz DXNZJSXKUFRKJO-MGPUTAFESA-N 2 2 340.471 3.192 20 30 EGEDLP C=CCC[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001754669659 1440657673 /nfs/dbraw/zinc/65/76/73/1440657673.db2.gz DXNZJSXKUFRKJO-MGPUTAFESA-N 2 2 340.471 3.192 20 30 EGEDLP C=CCC[NH2+]CCN(Cc1ccccc1)C(=O)c1cccc2[nH+]ccn21 ZINC001754838895 1440697301 /nfs/dbraw/zinc/69/73/01/1440697301.db2.gz SQAVEXGRAGZGIY-UHFFFAOYSA-N 2 2 348.450 3.142 20 30 EGEDLP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001754954088 1440715772 /nfs/dbraw/zinc/71/57/72/1440715772.db2.gz WRNUZCLHWOXWCB-IYARVYRRSA-N 2 2 346.519 3.157 20 30 EGEDLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000181530450 234220236 /nfs/dbraw/zinc/22/02/36/234220236.db2.gz JGOJDJBTGCUCHN-KRWDZBQOSA-N 2 2 335.451 3.241 20 30 EGEDLP N#Cc1ccc(Br)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000191805927 239308490 /nfs/dbraw/zinc/30/84/90/239308490.db2.gz NWKFWECLHPOOQS-UHFFFAOYSA-N 2 2 345.244 3.354 20 30 EGEDLP COc1cc(C#N)ccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246058864 243187915 /nfs/dbraw/zinc/18/79/15/243187915.db2.gz YCQIXDUQMXRODH-LPHOPBHVSA-N 2 2 325.456 3.016 20 30 EGEDLP COc1cc(C#N)ccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246058864 243187921 /nfs/dbraw/zinc/18/79/21/243187921.db2.gz YCQIXDUQMXRODH-LPHOPBHVSA-N 2 2 325.456 3.016 20 30 EGEDLP COc1cc(C#N)ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246058864 243187929 /nfs/dbraw/zinc/18/79/29/243187929.db2.gz YCQIXDUQMXRODH-LPHOPBHVSA-N 2 2 325.456 3.016 20 30 EGEDLP COc1cc(C#N)ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246058864 243187934 /nfs/dbraw/zinc/18/79/34/243187934.db2.gz YCQIXDUQMXRODH-LPHOPBHVSA-N 2 2 325.456 3.016 20 30 EGEDLP C[C@H](c1ccc(C#N)cc1)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188285897 153009299 /nfs/dbraw/zinc/00/92/99/153009299.db2.gz NCPLPYQCWYMRJH-XMSQKQJNSA-N 2 2 349.478 3.188 20 30 EGEDLP C[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)Cc1cccc(C#N)c1 ZINC000352102265 165236643 /nfs/dbraw/zinc/23/66/43/165236643.db2.gz KVERODGPHIJTTR-UHFFFAOYSA-N 2 2 348.494 3.202 20 30 EGEDLP C[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)Cc1cccc(C#N)c1 ZINC000352102265 165236646 /nfs/dbraw/zinc/23/66/46/165236646.db2.gz KVERODGPHIJTTR-UHFFFAOYSA-N 2 2 348.494 3.202 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@]4(CCOC4)C3)CC2)cc1 ZINC000453338158 270053383 /nfs/dbraw/zinc/05/33/83/270053383.db2.gz BJLSSARRSDZKTK-NRFANRHFSA-N 2 2 339.483 3.025 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([N@H+]3CCC[C@]4(CCOC4)C3)CC2)cc1 ZINC000453338158 270053385 /nfs/dbraw/zinc/05/33/85/270053385.db2.gz BJLSSARRSDZKTK-NRFANRHFSA-N 2 2 339.483 3.025 20 30 EGEDLP CCC[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)OCC ZINC000527748778 267031391 /nfs/dbraw/zinc/03/13/91/267031391.db2.gz ZEOHNSSIXASUEQ-FQEVSTJZSA-N 2 2 329.488 3.317 20 30 EGEDLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H](C)c3ccc(C#N)cc3)c2cc1C ZINC000298750199 267366963 /nfs/dbraw/zinc/36/69/63/267366963.db2.gz VVCNWRNXFONDMP-QFBILLFUSA-N 2 2 348.450 3.237 20 30 EGEDLP N#Cc1cccc(COc2cccc(C[NH2+]CC[NH+]3CCCC3)c2)c1 ZINC000060959832 307352302 /nfs/dbraw/zinc/35/23/02/307352302.db2.gz YWMIBQNBTKLTPG-UHFFFAOYSA-N 2 2 335.451 3.323 20 30 EGEDLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cc(C#N)cs2)CC1 ZINC000131107552 307638439 /nfs/dbraw/zinc/63/84/39/307638439.db2.gz IBLHWQDKAPZRTB-AWEZNQCLSA-N 2 2 326.469 3.330 20 30 EGEDLP C[NH+](CCC[N@@H+](C)Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000077250878 454082341 /nfs/dbraw/zinc/08/23/41/454082341.db2.gz OUAKRTBQHXKVTK-UHFFFAOYSA-N 2 2 332.451 3.384 20 30 EGEDLP C[NH+](CCC[N@H+](C)Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000077250878 454082344 /nfs/dbraw/zinc/08/23/44/454082344.db2.gz OUAKRTBQHXKVTK-UHFFFAOYSA-N 2 2 332.451 3.384 20 30 EGEDLP C=CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(Br)ccc1F ZINC000130925741 454226156 /nfs/dbraw/zinc/22/61/56/454226156.db2.gz BWGHMSAUEVMBBD-UHFFFAOYSA-N 2 2 338.224 3.473 20 30 EGEDLP C=CC[N@H+](CCn1cc[nH+]c1)Cc1cc(Br)ccc1F ZINC000130925741 454226159 /nfs/dbraw/zinc/22/61/59/454226159.db2.gz BWGHMSAUEVMBBD-UHFFFAOYSA-N 2 2 338.224 3.473 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H](O)C3CCCCC3)CC2)cc1 ZINC000095987876 454253648 /nfs/dbraw/zinc/25/36/48/454253648.db2.gz FBCILMCQMDXPAI-OAQYLSRUSA-N 2 2 341.499 3.053 20 30 EGEDLP N#CCCCOc1cccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093865889 454742195 /nfs/dbraw/zinc/74/21/95/454742195.db2.gz WQUHXFHCUWLECG-HXUWFJFHSA-N 2 2 337.423 3.417 20 30 EGEDLP N#CCCCOc1cccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093865889 454742200 /nfs/dbraw/zinc/74/22/00/454742200.db2.gz WQUHXFHCUWLECG-HXUWFJFHSA-N 2 2 337.423 3.417 20 30 EGEDLP CC1(C)C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000126058227 454866970 /nfs/dbraw/zinc/86/69/70/454866970.db2.gz PWXNLIUBXHDMQJ-LJQANCHMSA-N 2 2 327.472 3.070 20 30 EGEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154717339 454923194 /nfs/dbraw/zinc/92/31/94/454923194.db2.gz DBIRWWVANVLLHC-PMACEKPBSA-N 2 2 347.547 3.019 20 30 EGEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154717339 454923196 /nfs/dbraw/zinc/92/31/96/454923196.db2.gz DBIRWWVANVLLHC-PMACEKPBSA-N 2 2 347.547 3.019 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)CC1 ZINC000180489954 455180931 /nfs/dbraw/zinc/18/09/31/455180931.db2.gz KTZMEZWLHHALEP-FQEVSTJZSA-N 2 2 342.462 3.279 20 30 EGEDLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](CCC#N)CCC(C)C)c2cc1C ZINC000173545756 455303343 /nfs/dbraw/zinc/30/33/43/455303343.db2.gz TVUBEVFZGCAWMN-GOSISDBHSA-N 2 2 342.487 3.276 20 30 EGEDLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](CCC#N)CCC(C)C)c2cc1C ZINC000173545756 455303347 /nfs/dbraw/zinc/30/33/47/455303347.db2.gz TVUBEVFZGCAWMN-GOSISDBHSA-N 2 2 342.487 3.276 20 30 EGEDLP CC[N@H+](CCCSCC#N)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173903150 455339706 /nfs/dbraw/zinc/33/97/06/455339706.db2.gz VOTNVOVWDNUEGD-UHFFFAOYSA-N 2 2 332.517 3.267 20 30 EGEDLP CC[N@@H+](CCCSCC#N)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173903150 455339713 /nfs/dbraw/zinc/33/97/13/455339713.db2.gz VOTNVOVWDNUEGD-UHFFFAOYSA-N 2 2 332.517 3.267 20 30 EGEDLP C#CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000246890187 455533360 /nfs/dbraw/zinc/53/33/60/455533360.db2.gz GLHUTUHCBBQYAU-PGRDOPGGSA-N 2 2 349.478 3.094 20 30 EGEDLP C#CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000246890187 455533365 /nfs/dbraw/zinc/53/33/65/455533365.db2.gz GLHUTUHCBBQYAU-PGRDOPGGSA-N 2 2 349.478 3.094 20 30 EGEDLP Cc1cnc([C@@H](C)[NH2+]CC#CC[NH2+][C@@H](C)c2ncc(C)s2)s1 ZINC000284186718 455648156 /nfs/dbraw/zinc/64/81/56/455648156.db2.gz RQVZIUFZYDNNND-OKILXGFUSA-N 2 2 334.514 3.221 20 30 EGEDLP Cc1cc(N2CC[NH+](Cc3ccc(C#N)cc3C)CC2)nc(C(C)C)[nH+]1 ZINC000186165927 455708047 /nfs/dbraw/zinc/70/80/47/455708047.db2.gz SGOGICNQTRKRIZ-UHFFFAOYSA-N 2 2 349.482 3.411 20 30 EGEDLP C=CCc1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc(OC)c1O ZINC000261639218 455918895 /nfs/dbraw/zinc/91/88/95/455918895.db2.gz GCIZMQHHQOIFKC-RBUKOAKNSA-N 2 2 338.451 3.056 20 30 EGEDLP C=CCc1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc(OC)c1O ZINC000261639218 455918900 /nfs/dbraw/zinc/91/89/00/455918900.db2.gz GCIZMQHHQOIFKC-RBUKOAKNSA-N 2 2 338.451 3.056 20 30 EGEDLP C#CCOc1ccccc1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000272483972 455965467 /nfs/dbraw/zinc/96/54/67/455965467.db2.gz BKWFAOICQMERFP-UHFFFAOYSA-N 2 2 340.389 3.205 20 30 EGEDLP C(#Cc1ccccc1)C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000311201676 456587911 /nfs/dbraw/zinc/58/79/11/456587911.db2.gz HZDATQKBSJARRB-DHIUTWEWSA-N 2 2 330.475 3.492 20 30 EGEDLP C(#Cc1ccccc1)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000311201676 456587915 /nfs/dbraw/zinc/58/79/15/456587915.db2.gz HZDATQKBSJARRB-DHIUTWEWSA-N 2 2 330.475 3.492 20 30 EGEDLP C(#Cc1ccccc1)C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000311201676 456587920 /nfs/dbraw/zinc/58/79/20/456587920.db2.gz HZDATQKBSJARRB-DHIUTWEWSA-N 2 2 330.475 3.492 20 30 EGEDLP C(#Cc1ccccc1)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000311201676 456587923 /nfs/dbraw/zinc/58/79/23/456587923.db2.gz HZDATQKBSJARRB-DHIUTWEWSA-N 2 2 330.475 3.492 20 30 EGEDLP N#Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c(F)c1 ZINC000348312115 456614438 /nfs/dbraw/zinc/61/44/38/456614438.db2.gz FDWSWZQEKYDBKZ-WOJBJXKFSA-N 2 2 335.426 3.261 20 30 EGEDLP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000329538641 456905901 /nfs/dbraw/zinc/90/59/01/456905901.db2.gz MMVRZCJYOABJLD-SUMWQHHRSA-N 2 2 326.444 3.174 20 30 EGEDLP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000329538641 456905902 /nfs/dbraw/zinc/90/59/02/456905902.db2.gz MMVRZCJYOABJLD-SUMWQHHRSA-N 2 2 326.444 3.174 20 30 EGEDLP CC[N@@H+]1CCC[C@H](C[NH+](C)CCC(C)(C)C#N)[C@@H]1c1cnn(C)c1 ZINC000347163591 457264709 /nfs/dbraw/zinc/26/47/09/457264709.db2.gz JJXGLXJREVQZDB-SJLPKXTDSA-N 2 2 331.508 3.065 20 30 EGEDLP CC[N@H+]1CCC[C@H](C[NH+](C)CCC(C)(C)C#N)[C@@H]1c1cnn(C)c1 ZINC000347163591 457264715 /nfs/dbraw/zinc/26/47/15/457264715.db2.gz JJXGLXJREVQZDB-SJLPKXTDSA-N 2 2 331.508 3.065 20 30 EGEDLP CC[NH+]1CCC[C@H](C[N@H+](C)CCC(C)(C)C#N)[C@@H]1c1cnn(C)c1 ZINC000347163591 457264718 /nfs/dbraw/zinc/26/47/18/457264718.db2.gz JJXGLXJREVQZDB-SJLPKXTDSA-N 2 2 331.508 3.065 20 30 EGEDLP CC[NH+]1CCC[C@H](C[N@@H+](C)CCC(C)(C)C#N)[C@@H]1c1cnn(C)c1 ZINC000347163591 457264723 /nfs/dbraw/zinc/26/47/23/457264723.db2.gz JJXGLXJREVQZDB-SJLPKXTDSA-N 2 2 331.508 3.065 20 30 EGEDLP COc1ccc(C#N)cc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361062498 457556291 /nfs/dbraw/zinc/55/62/91/457556291.db2.gz MHHATDFFPFUJAX-UHFFFAOYSA-N 2 2 338.455 3.456 20 30 EGEDLP Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc1C ZINC000459666613 458441015 /nfs/dbraw/zinc/44/10/15/458441015.db2.gz LQICEPNTLBRLIJ-UHFFFAOYSA-N 2 2 334.467 3.324 20 30 EGEDLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000437413712 458451234 /nfs/dbraw/zinc/45/12/34/458451234.db2.gz UGUDKKVUEMQZSC-UHFFFAOYSA-N 2 2 337.414 3.464 20 30 EGEDLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000437413712 458451239 /nfs/dbraw/zinc/45/12/39/458451239.db2.gz UGUDKKVUEMQZSC-UHFFFAOYSA-N 2 2 337.414 3.464 20 30 EGEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000536462310 459359823 /nfs/dbraw/zinc/35/98/23/459359823.db2.gz HIYZVDHHTQYMMU-OAHLLOKOSA-N 2 2 333.357 3.280 20 30 EGEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000536462310 459359826 /nfs/dbraw/zinc/35/98/26/459359826.db2.gz HIYZVDHHTQYMMU-OAHLLOKOSA-N 2 2 333.357 3.280 20 30 EGEDLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CCOCC1)c1ccccc1 ZINC000562463001 459566761 /nfs/dbraw/zinc/56/67/61/459566761.db2.gz IIESWONPFNCYNX-JENIJYKNSA-N 2 2 327.472 3.168 20 30 EGEDLP C=CCC1([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCOCC1 ZINC000597205854 459876717 /nfs/dbraw/zinc/87/67/17/459876717.db2.gz LLBHWWHQGOHSFA-UHFFFAOYSA-N 2 2 339.483 3.238 20 30 EGEDLP COC[C@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CCCC1 ZINC000593720028 459961938 /nfs/dbraw/zinc/96/19/38/459961938.db2.gz FBWLUFHCCVGZNQ-NRFANRHFSA-N 2 2 341.499 3.317 20 30 EGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000602553129 459994116 /nfs/dbraw/zinc/99/41/16/459994116.db2.gz VOQBAWFRFXATIK-MSOLQXFVSA-N 2 2 329.488 3.195 20 30 EGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000602553129 459994121 /nfs/dbraw/zinc/99/41/21/459994121.db2.gz VOQBAWFRFXATIK-MSOLQXFVSA-N 2 2 329.488 3.195 20 30 EGEDLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cccc(C#N)n1 ZINC000602572141 460003510 /nfs/dbraw/zinc/00/35/10/460003510.db2.gz YBIOFEIKLPWIBP-IAGOWNOFSA-N 2 2 334.467 3.199 20 30 EGEDLP CO[C@@H](C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)CC(C)C ZINC000602706974 460076303 /nfs/dbraw/zinc/07/63/03/460076303.db2.gz RMQDUJMLVKELCL-HXUWFJFHSA-N 2 2 329.488 3.173 20 30 EGEDLP FC(F)(F)c1ccc(C#CC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000151347398 546854278 /nfs/dbraw/zinc/85/42/78/546854278.db2.gz GISVWOSIQODLGS-UHFFFAOYSA-N 2 2 345.368 3.274 20 30 EGEDLP C#CCCOc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000733325074 575327674 /nfs/dbraw/zinc/32/76/74/575327674.db2.gz VRACANYVZFAJSM-IBGZPJMESA-N 2 2 325.456 3.490 20 30 EGEDLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000743393400 576808127 /nfs/dbraw/zinc/80/81/27/576808127.db2.gz QCCPPNKPSNACAN-SFHVURJKSA-N 2 2 337.471 3.043 20 30 EGEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000743393400 576808128 /nfs/dbraw/zinc/80/81/28/576808128.db2.gz QCCPPNKPSNACAN-SFHVURJKSA-N 2 2 337.471 3.043 20 30 EGEDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000743393400 576808129 /nfs/dbraw/zinc/80/81/29/576808129.db2.gz QCCPPNKPSNACAN-SFHVURJKSA-N 2 2 337.471 3.043 20 30 EGEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000743393400 576808130 /nfs/dbraw/zinc/80/81/30/576808130.db2.gz QCCPPNKPSNACAN-SFHVURJKSA-N 2 2 337.471 3.043 20 30 EGEDLP COc1cccc(NC(=[NH2+])NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000303719597 1296848079 /nfs/dbraw/zinc/84/80/79/1296848079.db2.gz VYOFIXPPAHDLIV-KRWDZBQOSA-N 2 2 342.443 3.242 20 30 EGEDLP CCc1cccc(NC(=[NH2+])NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000303771958 1296849083 /nfs/dbraw/zinc/84/90/83/1296849083.db2.gz DCQAPHGEZLDHPK-SFHVURJKSA-N 2 2 328.435 3.418 20 30 EGEDLP CC[NH+](CC)C[C@H]1CC[N@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878149097 1299778115 /nfs/dbraw/zinc/77/81/15/1299778115.db2.gz SJOHMKOORKHWKR-TZIWHRDSSA-N 2 2 341.499 3.091 20 30 EGEDLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878149097 1299778122 /nfs/dbraw/zinc/77/81/22/1299778122.db2.gz SJOHMKOORKHWKR-TZIWHRDSSA-N 2 2 341.499 3.091 20 30 EGEDLP C=CCCCCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000797083014 1310138024 /nfs/dbraw/zinc/13/80/24/1310138024.db2.gz MCVXDMGRAGDVBA-QBUWPKIASA-N 2 2 335.536 3.185 20 30 EGEDLP C=CCCCCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000797083014 1310138026 /nfs/dbraw/zinc/13/80/26/1310138026.db2.gz MCVXDMGRAGDVBA-QBUWPKIASA-N 2 2 335.536 3.185 20 30 EGEDLP Cc1cccn2cc(CCNC(NC(C)(C)C)=[NH+]CC(C)C)[nH+]c12 ZINC000912508204 1318894492 /nfs/dbraw/zinc/89/44/92/1318894492.db2.gz JLNAYKIWZSHSMQ-UHFFFAOYSA-N 2 2 329.492 3.175 20 30 EGEDLP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817943565 1319469918 /nfs/dbraw/zinc/46/99/18/1319469918.db2.gz VMGYSBKCUVYLGW-IIBYNOLFSA-N 2 2 337.467 3.115 20 30 EGEDLP C[C@@H](CC(C)(C)C#N)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000924611788 1323075293 /nfs/dbraw/zinc/07/52/93/1323075293.db2.gz GVEXDERAAAWGRW-SFHVURJKSA-N 2 2 328.504 3.117 20 30 EGEDLP C=C(Cl)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459492 1324302148 /nfs/dbraw/zinc/30/21/48/1324302148.db2.gz OLPCVPBQBGGDBZ-ZIAGYGMSSA-N 2 2 346.862 3.146 20 30 EGEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459492 1324302154 /nfs/dbraw/zinc/30/21/54/1324302154.db2.gz OLPCVPBQBGGDBZ-ZIAGYGMSSA-N 2 2 346.862 3.146 20 30 EGEDLP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001016742240 1338708751 /nfs/dbraw/zinc/70/87/51/1338708751.db2.gz JBCXQJJJJOKPIE-QGZVFWFLSA-N 2 2 327.472 3.167 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001028239693 1340499723 /nfs/dbraw/zinc/49/97/23/1340499723.db2.gz UQJBSGFWJJMMEC-LJQANCHMSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001028239693 1340499726 /nfs/dbraw/zinc/49/97/26/1340499726.db2.gz UQJBSGFWJJMMEC-LJQANCHMSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC001044694042 1346405118 /nfs/dbraw/zinc/40/51/18/1346405118.db2.gz RBJXTCVFKPUKEG-SJLPKXTDSA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001054204838 1349206190 /nfs/dbraw/zinc/20/61/90/1349206190.db2.gz FGSSNSILRMIIHM-AZUAARDMSA-N 2 2 344.503 3.115 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001054204838 1349206192 /nfs/dbraw/zinc/20/61/92/1349206192.db2.gz FGSSNSILRMIIHM-AZUAARDMSA-N 2 2 344.503 3.115 20 30 EGEDLP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001099349605 1363766519 /nfs/dbraw/zinc/76/65/19/1363766519.db2.gz QOUPHNDOHVDWJD-OALUTQOASA-N 2 2 343.515 3.082 20 30 EGEDLP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001099349605 1363766523 /nfs/dbraw/zinc/76/65/23/1363766523.db2.gz QOUPHNDOHVDWJD-OALUTQOASA-N 2 2 343.515 3.082 20 30 EGEDLP CCCCCCC[NH2+]C[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC001184274979 1387422175 /nfs/dbraw/zinc/42/21/75/1387422175.db2.gz UXUHYLRLNCFKQV-ZWKOTPCHSA-N 2 2 348.535 3.387 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001089413710 1360408896 /nfs/dbraw/zinc/40/88/96/1360408896.db2.gz YWOOVQPMVCJDPH-BRWVUGGUSA-N 2 2 344.503 3.086 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001089413710 1360408899 /nfs/dbraw/zinc/40/88/99/1360408899.db2.gz YWOOVQPMVCJDPH-BRWVUGGUSA-N 2 2 344.503 3.086 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001089413710 1360408901 /nfs/dbraw/zinc/40/89/01/1360408901.db2.gz YWOOVQPMVCJDPH-BRWVUGGUSA-N 2 2 344.503 3.086 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001089413710 1360408903 /nfs/dbraw/zinc/40/89/03/1360408903.db2.gz YWOOVQPMVCJDPH-BRWVUGGUSA-N 2 2 344.503 3.086 20 30 EGEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC(C)(C)C1 ZINC001089419106 1360412925 /nfs/dbraw/zinc/41/29/25/1360412925.db2.gz CFVIIGBBBYGLMZ-MRXNPFEDSA-N 2 2 340.471 3.359 20 30 EGEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC(C)(C)C1 ZINC001089419106 1360412927 /nfs/dbraw/zinc/41/29/27/1360412927.db2.gz CFVIIGBBBYGLMZ-MRXNPFEDSA-N 2 2 340.471 3.359 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001102177339 1364915839 /nfs/dbraw/zinc/91/58/39/1364915839.db2.gz TUUFLAMKQQAWEP-QZTJIDSGSA-N 2 2 348.535 3.007 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001102177339 1364915845 /nfs/dbraw/zinc/91/58/45/1364915845.db2.gz TUUFLAMKQQAWEP-QZTJIDSGSA-N 2 2 348.535 3.007 20 30 EGEDLP C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)CCC1 ZINC001105532619 1366514105 /nfs/dbraw/zinc/51/41/05/1366514105.db2.gz PMBABKIHPHLWIS-KRWDZBQOSA-N 2 2 344.503 3.059 20 30 EGEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001110699206 1367937038 /nfs/dbraw/zinc/93/70/38/1367937038.db2.gz GSMYPYBUNIUORR-AKHDSKFASA-N 2 2 344.503 3.158 20 30 EGEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001110699206 1367937043 /nfs/dbraw/zinc/93/70/43/1367937043.db2.gz GSMYPYBUNIUORR-AKHDSKFASA-N 2 2 344.503 3.158 20 30 EGEDLP CCCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001112535873 1368918254 /nfs/dbraw/zinc/91/82/54/1368918254.db2.gz DYIPAIKMMFQKJN-PXNSSMCTSA-N 2 2 346.519 3.141 20 30 EGEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001186754508 1388004735 /nfs/dbraw/zinc/00/47/35/1388004735.db2.gz IVOCOQDIUHXCCG-FUHWJXTLSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CCCCCC[NH2+]CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001206872550 1371198827 /nfs/dbraw/zinc/19/88/27/1371198827.db2.gz JSHSHTZYCYEYPX-UHFFFAOYSA-N 2 2 346.519 3.262 20 30 EGEDLP C=CCCCCC[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CCCCC1 ZINC001120009611 1371453484 /nfs/dbraw/zinc/45/34/84/1371453484.db2.gz BOSVKKVOBANYPS-UHFFFAOYSA-N 2 2 346.519 3.118 20 30 EGEDLP CCCCCCC[NH2+][C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001208411683 1371758311 /nfs/dbraw/zinc/75/83/11/1371758311.db2.gz ZYPQWYFBKFLREX-SFHVURJKSA-N 2 2 348.535 3.478 20 30 EGEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001214631946 1373092727 /nfs/dbraw/zinc/09/27/27/1373092727.db2.gz BTUSNRIHHSAYFG-RVKKMQEKSA-N 2 2 340.471 3.048 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001132546480 1375453262 /nfs/dbraw/zinc/45/32/62/1375453262.db2.gz MJWGIMYABNHVOU-RTBURBONSA-N 2 2 346.519 3.379 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001132546480 1375453264 /nfs/dbraw/zinc/45/32/64/1375453264.db2.gz MJWGIMYABNHVOU-RTBURBONSA-N 2 2 346.519 3.379 20 30 EGEDLP CCCCCCC[NH2+]C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132781775 1375561680 /nfs/dbraw/zinc/56/16/80/1375561680.db2.gz FVZRKANWVFGHHT-ROUUACIJSA-N 2 2 348.535 3.387 20 30 EGEDLP CCCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001135057514 1376872398 /nfs/dbraw/zinc/87/23/98/1376872398.db2.gz WLCLFGLOWNXLML-DLBZAZTESA-N 2 2 336.524 3.196 20 30 EGEDLP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135840101 1377228464 /nfs/dbraw/zinc/22/84/64/1377228464.db2.gz CIPFPDKDTAOTAB-GJZGRUSLSA-N 2 2 346.862 3.111 20 30 EGEDLP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135840299 1377228933 /nfs/dbraw/zinc/22/89/33/1377228933.db2.gz GMECFRJJJOSDME-SJORKVTESA-N 2 2 340.471 3.325 20 30 EGEDLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1C#N ZINC001139724787 1377941699 /nfs/dbraw/zinc/94/16/99/1377941699.db2.gz PWLAYDVKVMLUQZ-OALUTQOASA-N 2 2 337.492 3.492 20 30 EGEDLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc1C#N ZINC001139724788 1377941972 /nfs/dbraw/zinc/94/19/72/1377941972.db2.gz PWLAYDVKVMLUQZ-RTBURBONSA-N 2 2 337.492 3.492 20 30 EGEDLP CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001154005082 1380176035 /nfs/dbraw/zinc/17/60/35/1380176035.db2.gz XNLQEVQQHBNBLF-QGZVFWFLSA-N 2 2 349.519 3.430 20 30 EGEDLP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001154005082 1380176036 /nfs/dbraw/zinc/17/60/36/1380176036.db2.gz XNLQEVQQHBNBLF-QGZVFWFLSA-N 2 2 349.519 3.430 20 30 EGEDLP C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001155751583 1380489123 /nfs/dbraw/zinc/48/91/23/1380489123.db2.gz PWWYOBKJBQBWKG-DLBZAZTESA-N 2 2 334.508 3.161 20 30 EGEDLP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001155751583 1380489124 /nfs/dbraw/zinc/48/91/24/1380489124.db2.gz PWWYOBKJBQBWKG-DLBZAZTESA-N 2 2 334.508 3.161 20 30 EGEDLP C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001155751583 1380489125 /nfs/dbraw/zinc/48/91/25/1380489125.db2.gz PWWYOBKJBQBWKG-DLBZAZTESA-N 2 2 334.508 3.161 20 30 EGEDLP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001155751583 1380489126 /nfs/dbraw/zinc/48/91/26/1380489126.db2.gz PWWYOBKJBQBWKG-DLBZAZTESA-N 2 2 334.508 3.161 20 30 EGEDLP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001158807199 1381408360 /nfs/dbraw/zinc/40/83/60/1381408360.db2.gz YMFSKCTZCDUCDV-IEBWSBKVSA-N 2 2 346.519 3.020 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001158807199 1381408373 /nfs/dbraw/zinc/40/83/73/1381408373.db2.gz YMFSKCTZCDUCDV-IEBWSBKVSA-N 2 2 346.519 3.020 20 30 EGEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1[nH+]ccc2ccc(C)cc21 ZINC001159925577 1381939567 /nfs/dbraw/zinc/93/95/67/1381939567.db2.gz NOECJLNXGSTCSQ-KRWDZBQOSA-N 2 2 327.428 3.182 20 30 EGEDLP C=C(C)CC[NH2+]CC1(CCNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001166294327 1383409642 /nfs/dbraw/zinc/40/96/42/1383409642.db2.gz JRUKQYCTOISJNI-UHFFFAOYSA-N 2 2 329.488 3.463 20 30 EGEDLP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001171859435 1384663102 /nfs/dbraw/zinc/66/31/02/1384663102.db2.gz CVKNRHNSOOVBAF-INIZCTEOSA-N 2 2 347.503 3.088 20 30 EGEDLP CCCCCCC[NH2+]CCCC[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001176177610 1385503786 /nfs/dbraw/zinc/50/37/86/1385503786.db2.gz ZIZSGSYWWSUHNZ-QGZVFWFLSA-N 2 2 336.524 3.198 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001178863760 1386332159 /nfs/dbraw/zinc/33/21/59/1386332159.db2.gz AZNZSHHUOSVDNS-ZWKOTPCHSA-N 2 2 346.519 3.066 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001178873359 1386335559 /nfs/dbraw/zinc/33/55/59/1386335559.db2.gz XUANGSQIBLROGG-QZTJIDSGSA-N 2 2 346.519 3.066 20 30 EGEDLP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001178881416 1386338189 /nfs/dbraw/zinc/33/81/89/1386338189.db2.gz VZLKPXMZAPDJIO-KRWDZBQOSA-N 2 2 346.519 3.055 20 30 EGEDLP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001178881416 1386338196 /nfs/dbraw/zinc/33/81/96/1386338196.db2.gz VZLKPXMZAPDJIO-KRWDZBQOSA-N 2 2 346.519 3.055 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001179630030 1386535706 /nfs/dbraw/zinc/53/57/06/1386535706.db2.gz FVCCNLBGQDHOKA-RCCFBDPRSA-N 2 2 346.519 3.145 20 30 EGEDLP C=C(C)CCC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001336975028 1389225454 /nfs/dbraw/zinc/22/54/54/1389225454.db2.gz XQFCKKZCZDZTKE-MOPGFXCFSA-N 2 2 335.536 3.138 20 30 EGEDLP C=C(C)CCC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001336975028 1389225457 /nfs/dbraw/zinc/22/54/57/1389225457.db2.gz XQFCKKZCZDZTKE-MOPGFXCFSA-N 2 2 335.536 3.138 20 30 EGEDLP C=C(Cl)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715386001 1420083288 /nfs/dbraw/zinc/08/32/88/1420083288.db2.gz KGKDZDUVURDISE-PXAZEXFGSA-N 2 2 346.862 3.146 20 30 EGEDLP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001752512169 1440190222 /nfs/dbraw/zinc/19/02/22/1440190222.db2.gz BPSRJTIXDLFRNH-INIZCTEOSA-N 2 2 340.471 3.313 20 30 EGEDLP C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001752512169 1440190223 /nfs/dbraw/zinc/19/02/23/1440190223.db2.gz BPSRJTIXDLFRNH-INIZCTEOSA-N 2 2 340.471 3.313 20 30 EGEDLP C=CCC[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001752802392 1440215255 /nfs/dbraw/zinc/21/52/55/1440215255.db2.gz GAUVSSSTAUXWMG-DLBZAZTESA-N 2 2 340.471 3.131 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753102527 1440304677 /nfs/dbraw/zinc/30/46/77/1440304677.db2.gz APDASCVQDQFKDM-ZBFHGGJFSA-N 2 2 326.444 3.112 20 30 EGEDLP C=CCC[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753102527 1440304678 /nfs/dbraw/zinc/30/46/78/1440304678.db2.gz APDASCVQDQFKDM-ZBFHGGJFSA-N 2 2 326.444 3.112 20 30 EGEDLP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001754540905 1440626164 /nfs/dbraw/zinc/62/61/64/1440626164.db2.gz KDKJNUAYISFBOH-MVCQKVDPSA-N 2 2 344.503 3.302 20 30 EGEDLP C=CCCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001754867031 1440703323 /nfs/dbraw/zinc/70/33/23/1440703323.db2.gz ATWWMUWQCHWHPG-RTBURBONSA-N 2 2 344.503 3.072 20 30 EGEDLP C=CCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001754867031 1440703324 /nfs/dbraw/zinc/70/33/24/1440703324.db2.gz ATWWMUWQCHWHPG-RTBURBONSA-N 2 2 344.503 3.072 20 30 EGEDLP CCCCCCC[NH+]1CCC2(CN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001754960594 1440717569 /nfs/dbraw/zinc/71/75/69/1440717569.db2.gz PFJCLEJTXSJQIY-UHFFFAOYSA-N 2 2 346.519 3.168 20 30 EGEDLP C[N@H+](Cc1ccccc1C#N)C1CC[NH+](CCc2ccccn2)CC1 ZINC000078969131 217160035 /nfs/dbraw/zinc/16/00/35/217160035.db2.gz WTMJPYSHVULXAS-UHFFFAOYSA-N 2 2 334.467 3.092 20 30 EGEDLP C[N@@H+](Cc1ccccc1C#N)C1CC[NH+](CCc2ccccn2)CC1 ZINC000078969131 217160039 /nfs/dbraw/zinc/16/00/39/217160039.db2.gz WTMJPYSHVULXAS-UHFFFAOYSA-N 2 2 334.467 3.092 20 30 EGEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(C#N)cc3OC(F)F)CC[C@H]21 ZINC000361674045 144348526 /nfs/dbraw/zinc/34/85/26/144348526.db2.gz BJGWUEUAFFJVLX-GOEBONIOSA-N 2 2 335.398 3.076 20 30 EGEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(C#N)cc3OC(F)F)CC[C@H]21 ZINC000361674045 144348528 /nfs/dbraw/zinc/34/85/28/144348528.db2.gz BJGWUEUAFFJVLX-GOEBONIOSA-N 2 2 335.398 3.076 20 30 EGEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(C#N)cc3OC(F)F)CC[C@H]21 ZINC000361674045 144348530 /nfs/dbraw/zinc/34/85/30/144348530.db2.gz BJGWUEUAFFJVLX-GOEBONIOSA-N 2 2 335.398 3.076 20 30 EGEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3OC(F)F)CC[C@H]21 ZINC000361674045 144348535 /nfs/dbraw/zinc/34/85/35/144348535.db2.gz BJGWUEUAFFJVLX-GOEBONIOSA-N 2 2 335.398 3.076 20 30 EGEDLP C[C@H](Cc1cccc(O)c1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344119065 164107742 /nfs/dbraw/zinc/10/77/42/164107742.db2.gz HGLILNIZWHEVPU-QGZVFWFLSA-N 2 2 349.478 3.449 20 30 EGEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2Cl)[C@H](C)C1 ZINC000346528565 164391586 /nfs/dbraw/zinc/39/15/86/164391586.db2.gz CJUPQNDCEQBPML-BEFAXECRSA-N 2 2 349.906 3.438 20 30 EGEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2Cl)[C@H](C)C1 ZINC000346528565 164391587 /nfs/dbraw/zinc/39/15/87/164391587.db2.gz CJUPQNDCEQBPML-BEFAXECRSA-N 2 2 349.906 3.438 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(C#N)c(F)c3)CC2)cc1 ZINC000449734418 270052737 /nfs/dbraw/zinc/05/27/37/270052737.db2.gz BJZQVQWSFHJPMD-UHFFFAOYSA-N 2 2 348.425 3.323 20 30 EGEDLP CC[C@@H](C)[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)OC ZINC000294819933 266367220 /nfs/dbraw/zinc/36/72/20/266367220.db2.gz OTYYIRFBNKJIEH-UZLBHIALSA-N 2 2 329.488 3.173 20 30 EGEDLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H]3CCc4ccc(C#N)cc43)[nH+]c2)C1 ZINC000570556067 317072712 /nfs/dbraw/zinc/07/27/12/317072712.db2.gz ODGKVJPNGWHATQ-ICSRJNTNSA-N 2 2 347.466 3.193 20 30 EGEDLP Cc1cc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nc(C2CC2)[nH+]1 ZINC000264693699 455264727 /nfs/dbraw/zinc/26/47/27/455264727.db2.gz ZWFGQLDCOGGVPQ-UHFFFAOYSA-N 2 2 347.466 3.246 20 30 EGEDLP Cc1cc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)nc(C2CC2)[nH+]1 ZINC000264693699 455264731 /nfs/dbraw/zinc/26/47/31/455264731.db2.gz ZWFGQLDCOGGVPQ-UHFFFAOYSA-N 2 2 347.466 3.246 20 30 EGEDLP C#CCCOc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000184732472 455438626 /nfs/dbraw/zinc/43/86/26/455438626.db2.gz VOYVJWKJNBYTBH-LJQANCHMSA-N 2 2 337.467 3.277 20 30 EGEDLP C#CCCOc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000184732472 455438628 /nfs/dbraw/zinc/43/86/28/455438628.db2.gz VOYVJWKJNBYTBH-LJQANCHMSA-N 2 2 337.467 3.277 20 30 EGEDLP CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000135221648 454648771 /nfs/dbraw/zinc/64/87/71/454648771.db2.gz JDNFECKQIWOTPJ-SFHVURJKSA-N 2 2 341.499 3.032 20 30 EGEDLP CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000135221648 454648777 /nfs/dbraw/zinc/64/87/77/454648777.db2.gz JDNFECKQIWOTPJ-SFHVURJKSA-N 2 2 341.499 3.032 20 30 EGEDLP C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000184729966 455437995 /nfs/dbraw/zinc/43/79/95/455437995.db2.gz YHKQNHCUNXMEMP-SJLPKXTDSA-N 2 2 338.455 3.166 20 30 EGEDLP C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000184729966 455438001 /nfs/dbraw/zinc/43/80/01/455438001.db2.gz YHKQNHCUNXMEMP-SJLPKXTDSA-N 2 2 338.455 3.166 20 30 EGEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000247038605 455548940 /nfs/dbraw/zinc/54/89/40/455548940.db2.gz RQSOWSJSXZDJJU-SLFFLAALSA-N 2 2 347.547 3.162 20 30 EGEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000247038605 455548942 /nfs/dbraw/zinc/54/89/42/455548942.db2.gz RQSOWSJSXZDJJU-SLFFLAALSA-N 2 2 347.547 3.162 20 30 EGEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000247038605 455548944 /nfs/dbraw/zinc/54/89/44/455548944.db2.gz RQSOWSJSXZDJJU-SLFFLAALSA-N 2 2 347.547 3.162 20 30 EGEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000247038605 455548945 /nfs/dbraw/zinc/54/89/45/455548945.db2.gz RQSOWSJSXZDJJU-SLFFLAALSA-N 2 2 347.547 3.162 20 30 EGEDLP C=CC[NH+](CC=C)[C@H](CN[C@@H](c1[nH]cc[nH+]1)c1cccnc1)C(C)C ZINC000279985126 455879569 /nfs/dbraw/zinc/87/95/69/455879569.db2.gz DVXJASIFYDAOLH-RTBURBONSA-N 2 2 339.487 3.182 20 30 EGEDLP C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000280937866 456087597 /nfs/dbraw/zinc/08/75/97/456087597.db2.gz VVRIJOWPDPXZAY-PZJWPPBQSA-N 2 2 339.483 3.093 20 30 EGEDLP C=CC[NH+]1CCC([NH2+]Cc2c(F)ccc(Br)c2F)CC1 ZINC000281949848 456370656 /nfs/dbraw/zinc/37/06/56/456370656.db2.gz IQALAYTXWFZECF-UHFFFAOYSA-N 2 2 345.231 3.467 20 30 EGEDLP COc1cc(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC000353190039 456549467 /nfs/dbraw/zinc/54/94/67/456549467.db2.gz ILVCFOUAOWXGPI-UZLBHIALSA-N 2 2 335.451 3.177 20 30 EGEDLP COc1cc(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC000353190039 456549471 /nfs/dbraw/zinc/54/94/71/456549471.db2.gz ILVCFOUAOWXGPI-UZLBHIALSA-N 2 2 335.451 3.177 20 30 EGEDLP COc1cc(C[NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)ccc1C#N ZINC000353194357 456550786 /nfs/dbraw/zinc/55/07/86/456550786.db2.gz TVUHDSAVBPIKRV-UZLBHIALSA-N 2 2 335.451 3.492 20 30 EGEDLP COc1cc(C[NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)ccc1C#N ZINC000353194357 456550791 /nfs/dbraw/zinc/55/07/91/456550791.db2.gz TVUHDSAVBPIKRV-UZLBHIALSA-N 2 2 335.451 3.492 20 30 EGEDLP N#Cc1ccc(F)c(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000348315222 456617351 /nfs/dbraw/zinc/61/73/51/456617351.db2.gz HYGDDSXXFCDVFY-BGYRXZFFSA-N 2 2 335.426 3.261 20 30 EGEDLP N#Cc1ccc(F)c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000348315222 456617363 /nfs/dbraw/zinc/61/73/63/456617363.db2.gz HYGDDSXXFCDVFY-BGYRXZFFSA-N 2 2 335.426 3.261 20 30 EGEDLP N#Cc1ccc(F)c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000348315222 456617369 /nfs/dbraw/zinc/61/73/69/456617369.db2.gz HYGDDSXXFCDVFY-BGYRXZFFSA-N 2 2 335.426 3.261 20 30 EGEDLP N#Cc1ccc(F)c(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000348315222 456617379 /nfs/dbraw/zinc/61/73/79/456617379.db2.gz HYGDDSXXFCDVFY-BGYRXZFFSA-N 2 2 335.426 3.261 20 30 EGEDLP C[NH+](C)C1(CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CCCCCC1 ZINC000328712159 456742370 /nfs/dbraw/zinc/74/23/70/456742370.db2.gz CFRXBMVFHSZQBQ-UHFFFAOYSA-N 2 2 347.507 3.158 20 30 EGEDLP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000329163222 456846693 /nfs/dbraw/zinc/84/66/93/456846693.db2.gz GCTSCTVWQAHQTM-SFHVURJKSA-N 2 2 338.455 3.253 20 30 EGEDLP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000329163222 456846698 /nfs/dbraw/zinc/84/66/98/456846698.db2.gz GCTSCTVWQAHQTM-SFHVURJKSA-N 2 2 338.455 3.253 20 30 EGEDLP COc1cc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)ccc1C#N ZINC000348818549 456870408 /nfs/dbraw/zinc/87/04/08/456870408.db2.gz SZRMNYMKDMIZER-UHFFFAOYSA-N 2 2 327.428 3.114 20 30 EGEDLP COc1cc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)ccc1C#N ZINC000348818549 456870412 /nfs/dbraw/zinc/87/04/12/456870412.db2.gz SZRMNYMKDMIZER-UHFFFAOYSA-N 2 2 327.428 3.114 20 30 EGEDLP COc1cc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)ccc1C#N ZINC000348818549 456870418 /nfs/dbraw/zinc/87/04/18/456870418.db2.gz SZRMNYMKDMIZER-UHFFFAOYSA-N 2 2 327.428 3.114 20 30 EGEDLP COc1cc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)ccc1C#N ZINC000348818549 456870422 /nfs/dbraw/zinc/87/04/22/456870422.db2.gz SZRMNYMKDMIZER-UHFFFAOYSA-N 2 2 327.428 3.114 20 30 EGEDLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000611407026 460356924 /nfs/dbraw/zinc/35/69/24/460356924.db2.gz VCGFFJBGBMRSQC-SFTDATJTSA-N 2 2 337.467 3.114 20 30 EGEDLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000611407026 460356928 /nfs/dbraw/zinc/35/69/28/460356928.db2.gz VCGFFJBGBMRSQC-SFTDATJTSA-N 2 2 337.467 3.114 20 30 EGEDLP C=CCc1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc(OC)c1O ZINC000678234297 549435507 /nfs/dbraw/zinc/43/55/07/549435507.db2.gz DALKSCQQQMJFFB-QGZVFWFLSA-N 2 2 327.428 3.163 20 30 EGEDLP C=CCc1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc(OC)c1O ZINC000678234297 549435509 /nfs/dbraw/zinc/43/55/09/549435509.db2.gz DALKSCQQQMJFFB-QGZVFWFLSA-N 2 2 327.428 3.163 20 30 EGEDLP CCc1ccc(CNC(=[NH+]C)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000261935828 1296609455 /nfs/dbraw/zinc/60/94/55/1296609455.db2.gz CJXCDSMQTAIMQI-YOEHRIQHSA-N 2 2 345.516 3.166 20 30 EGEDLP C[NH+](C)[C@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)c1ccc(F)cc1 ZINC000261983125 1296611667 /nfs/dbraw/zinc/61/16/67/1296611667.db2.gz ITSUUXLFLRGBKV-LJQANCHMSA-N 2 2 340.446 3.344 20 30 EGEDLP Clc1cccc(N2CCCC2)c1C=[NH+]NCC[NH+]1CCCCC1 ZINC000763357205 1301884499 /nfs/dbraw/zinc/88/44/99/1301884499.db2.gz ZHYIDXMRKZQVRS-UHFFFAOYSA-N 2 2 334.895 3.350 20 30 EGEDLP O=[N+]([O-])c1cc(C=[NH+]OCC[NH+]2CCCCC2)ccc1N1CCCC1 ZINC000766685282 1302499771 /nfs/dbraw/zinc/49/97/71/1302499771.db2.gz QQPIENSEZIPVSZ-UHFFFAOYSA-N 2 2 346.431 3.031 20 30 EGEDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000773030496 1303611361 /nfs/dbraw/zinc/61/13/61/1303611361.db2.gz QXUNZPMFEHUNKJ-FOIQADDNSA-N 2 2 338.430 3.093 20 30 EGEDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000773030496 1303611364 /nfs/dbraw/zinc/61/13/64/1303611364.db2.gz QXUNZPMFEHUNKJ-FOIQADDNSA-N 2 2 338.430 3.093 20 30 EGEDLP CS[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000776163882 1304104777 /nfs/dbraw/zinc/10/47/77/1304104777.db2.gz WOYGWKWPHVYTFT-MOPGFXCFSA-N 2 2 329.513 3.396 20 30 EGEDLP Cc1ncc(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000776170999 1304105665 /nfs/dbraw/zinc/10/56/65/1304105665.db2.gz RNQMSQGVTHNSSJ-UHFFFAOYSA-N 2 2 340.496 3.120 20 30 EGEDLP CN(C)c1cc[nH+]cc1C=[NH+]Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000776181706 1304107302 /nfs/dbraw/zinc/10/73/02/1304107302.db2.gz ZFTXQSGPHHXFAV-UHFFFAOYSA-N 2 2 333.317 3.484 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C)CC1 ZINC000902795887 1317617719 /nfs/dbraw/zinc/61/77/19/1317617719.db2.gz KPJYXQSBFJKHQQ-RDJZCZTQSA-N 2 2 337.508 3.014 20 30 EGEDLP CC[NH+](CC)[C@H](C[NH+]=C(NCc1ccccc1)N(C)C)c1ccco1 ZINC000849067515 1322065642 /nfs/dbraw/zinc/06/56/42/1322065642.db2.gz KEOKKZDXZUADQP-GOSISDBHSA-N 2 2 342.487 3.370 20 30 EGEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811564 1323713485 /nfs/dbraw/zinc/71/34/85/1323713485.db2.gz UXVAVTQJSJFATO-SFHVURJKSA-N 2 2 349.906 3.085 20 30 EGEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811564 1323713491 /nfs/dbraw/zinc/71/34/91/1323713491.db2.gz UXVAVTQJSJFATO-SFHVURJKSA-N 2 2 349.906 3.085 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC000947450570 1333133610 /nfs/dbraw/zinc/13/36/10/1333133610.db2.gz WPGZQHLQHXVRFB-ZBFHGGJFSA-N 2 2 326.444 3.112 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC000947450570 1333133613 /nfs/dbraw/zinc/13/36/13/1333133613.db2.gz WPGZQHLQHXVRFB-ZBFHGGJFSA-N 2 2 326.444 3.112 20 30 EGEDLP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001034328034 1342402588 /nfs/dbraw/zinc/40/25/88/1342402588.db2.gz PHQCPRVLHNMTOY-SFHVURJKSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001034328034 1342402590 /nfs/dbraw/zinc/40/25/90/1342402590.db2.gz PHQCPRVLHNMTOY-SFHVURJKSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039208258 1344920418 /nfs/dbraw/zinc/92/04/18/1344920418.db2.gz BOBAIMBJXXFKDL-PKOBYXMFSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039208258 1344920419 /nfs/dbraw/zinc/92/04/19/1344920419.db2.gz BOBAIMBJXXFKDL-PKOBYXMFSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039208258 1344920423 /nfs/dbraw/zinc/92/04/23/1344920423.db2.gz BOBAIMBJXXFKDL-PKOBYXMFSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039208258 1344920427 /nfs/dbraw/zinc/92/04/27/1344920427.db2.gz BOBAIMBJXXFKDL-PKOBYXMFSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cccc2[nH+]ccn21 ZINC001039285323 1344996856 /nfs/dbraw/zinc/99/68/56/1344996856.db2.gz JAGLUNCYEZJUOX-ALOPSCKCSA-N 2 2 338.455 3.026 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001039394224 1345043383 /nfs/dbraw/zinc/04/33/83/1345043383.db2.gz PFANWLQIYWIIBT-SJORKVTESA-N 2 2 338.455 3.208 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001039394224 1345043386 /nfs/dbraw/zinc/04/33/86/1345043386.db2.gz PFANWLQIYWIIBT-SJORKVTESA-N 2 2 338.455 3.208 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001040422975 1345489329 /nfs/dbraw/zinc/48/93/29/1345489329.db2.gz BMIZORIHRXRHKC-ICSRJNTNSA-N 2 2 344.503 3.115 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001040422975 1345489330 /nfs/dbraw/zinc/48/93/30/1345489330.db2.gz BMIZORIHRXRHKC-ICSRJNTNSA-N 2 2 344.503 3.115 20 30 EGEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC[C@@H]1C ZINC001071954426 1355040582 /nfs/dbraw/zinc/04/05/82/1355040582.db2.gz OOHSGBXCVYYFSO-WMZOPIPTSA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC[C@@H]1C ZINC001071954426 1355040587 /nfs/dbraw/zinc/04/05/87/1355040587.db2.gz OOHSGBXCVYYFSO-WMZOPIPTSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC1 ZINC001086929464 1359254155 /nfs/dbraw/zinc/25/41/55/1359254155.db2.gz ITCOCDCPJTVVCE-HNNXBMFYSA-N 2 2 338.455 3.066 20 30 EGEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC(C)(C)C1 ZINC001089416676 1360410980 /nfs/dbraw/zinc/41/09/80/1360410980.db2.gz OEWODELPPCPLLP-QGZVFWFLSA-N 2 2 346.519 3.110 20 30 EGEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC(C)(C)C1 ZINC001089416676 1360410982 /nfs/dbraw/zinc/41/09/82/1360410982.db2.gz OEWODELPPCPLLP-QGZVFWFLSA-N 2 2 346.519 3.110 20 30 EGEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089488908 1360468237 /nfs/dbraw/zinc/46/82/37/1360468237.db2.gz ZVUHPHRPFBDIPU-HOTGVXAUSA-N 2 2 344.503 3.013 20 30 EGEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089488908 1360468240 /nfs/dbraw/zinc/46/82/40/1360468240.db2.gz ZVUHPHRPFBDIPU-HOTGVXAUSA-N 2 2 344.503 3.013 20 30 EGEDLP C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001184535864 1387486695 /nfs/dbraw/zinc/48/66/95/1387486695.db2.gz YNGHBUXMSKYQLF-QZTJIDSGSA-N 2 2 346.519 3.163 20 30 EGEDLP C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001184535864 1387486697 /nfs/dbraw/zinc/48/66/97/1387486697.db2.gz YNGHBUXMSKYQLF-QZTJIDSGSA-N 2 2 346.519 3.163 20 30 EGEDLP C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001101581261 1364634208 /nfs/dbraw/zinc/63/42/08/1364634208.db2.gz QYDABICWTJDVSR-INIZCTEOSA-N 2 2 346.519 3.019 20 30 EGEDLP C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001101581261 1364634213 /nfs/dbraw/zinc/63/42/13/1364634213.db2.gz QYDABICWTJDVSR-INIZCTEOSA-N 2 2 346.519 3.019 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102454671 1365065157 /nfs/dbraw/zinc/06/51/57/1365065157.db2.gz NSYBEDIBQGEOPL-RCCFBDPRSA-N 2 2 346.519 3.019 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102454671 1365065162 /nfs/dbraw/zinc/06/51/62/1365065162.db2.gz NSYBEDIBQGEOPL-RCCFBDPRSA-N 2 2 346.519 3.019 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102454671 1365065164 /nfs/dbraw/zinc/06/51/64/1365065164.db2.gz NSYBEDIBQGEOPL-RCCFBDPRSA-N 2 2 346.519 3.019 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102454671 1365065168 /nfs/dbraw/zinc/06/51/68/1365065168.db2.gz NSYBEDIBQGEOPL-RCCFBDPRSA-N 2 2 346.519 3.019 20 30 EGEDLP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001190175988 1367191117 /nfs/dbraw/zinc/19/11/17/1367191117.db2.gz LQDACOBFLQMQKQ-MAUKXSAKSA-N 2 2 340.471 3.144 20 30 EGEDLP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001190175988 1367191122 /nfs/dbraw/zinc/19/11/22/1367191122.db2.gz LQDACOBFLQMQKQ-MAUKXSAKSA-N 2 2 340.471 3.144 20 30 EGEDLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCC(C#N)(c3ccccc3)c3ccccc3)C[C@H]21 ZINC001196631434 1368652541 /nfs/dbraw/zinc/65/25/41/1368652541.db2.gz FEZXJNHIUOGSCR-ZBYYUNFXSA-N 2 2 345.490 3.378 20 30 EGEDLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCC(C#N)(c3ccccc3)c3ccccc3)C[C@H]21 ZINC001196631434 1368652546 /nfs/dbraw/zinc/65/25/46/1368652546.db2.gz FEZXJNHIUOGSCR-ZBYYUNFXSA-N 2 2 345.490 3.378 20 30 EGEDLP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c(C)cc(C)[nH+]c1C)C2 ZINC001112482272 1368879853 /nfs/dbraw/zinc/87/98/53/1368879853.db2.gz LVHACHREORFRIZ-PXNSSMCTSA-N 2 2 327.472 3.025 20 30 EGEDLP C=CCCCCC[NH2+][C@@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C12CCC2 ZINC001203242829 1370037165 /nfs/dbraw/zinc/03/71/65/1370037165.db2.gz XKNLDSSUBNTTTN-MSOLQXFVSA-N 2 2 344.503 3.037 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001206238157 1371000342 /nfs/dbraw/zinc/00/03/42/1371000342.db2.gz JAANYHDMOPRREM-WBVHZDCISA-N 2 2 344.503 3.013 20 30 EGEDLP C=CCCCCC[NH2+]C1CC2(CC(NC(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001121033635 1371838680 /nfs/dbraw/zinc/83/86/80/1371838680.db2.gz MHVQSUIPHKEWAA-UHFFFAOYSA-N 2 2 344.503 3.106 20 30 EGEDLP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001209567439 1372138823 /nfs/dbraw/zinc/13/88/23/1372138823.db2.gz DECHRIBJZCGJBF-IAGOWNOFSA-N 2 2 344.503 3.157 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[C@H]1C ZINC001132458897 1375402016 /nfs/dbraw/zinc/40/20/16/1375402016.db2.gz YXDQDMOSGRFHLJ-QZTJIDSGSA-N 2 2 348.535 3.292 20 30 EGEDLP CCCCCCC[N@H+]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[C@H]1C ZINC001132458897 1375402020 /nfs/dbraw/zinc/40/20/20/1375402020.db2.gz YXDQDMOSGRFHLJ-QZTJIDSGSA-N 2 2 348.535 3.292 20 30 EGEDLP CCCCCCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001229262375 1375797808 /nfs/dbraw/zinc/79/78/08/1375797808.db2.gz RTVDJLGKACFLEG-QZTJIDSGSA-N 2 2 346.519 3.075 20 30 EGEDLP C=CCc1cccc(C[N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c1O ZINC001138626595 1377756051 /nfs/dbraw/zinc/75/60/51/1377756051.db2.gz LJASTBLBPSKGNR-OYRHEFFESA-N 2 2 349.478 3.080 20 30 EGEDLP C=CCc1cccc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c1O ZINC001138626595 1377756055 /nfs/dbraw/zinc/75/60/55/1377756055.db2.gz LJASTBLBPSKGNR-OYRHEFFESA-N 2 2 349.478 3.080 20 30 EGEDLP C=CCc1cccc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)c1O ZINC001138626595 1377756058 /nfs/dbraw/zinc/75/60/58/1377756058.db2.gz LJASTBLBPSKGNR-OYRHEFFESA-N 2 2 349.478 3.080 20 30 EGEDLP C=CCc1cccc(C[NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)c1O ZINC001138626595 1377756063 /nfs/dbraw/zinc/75/60/63/1377756063.db2.gz LJASTBLBPSKGNR-OYRHEFFESA-N 2 2 349.478 3.080 20 30 EGEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139707726 1377938032 /nfs/dbraw/zinc/93/80/32/1377938032.db2.gz QTNFCOPCGAICKI-QGZVFWFLSA-N 2 2 332.407 3.396 20 30 EGEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139707726 1377938033 /nfs/dbraw/zinc/93/80/33/1377938033.db2.gz QTNFCOPCGAICKI-QGZVFWFLSA-N 2 2 332.407 3.396 20 30 EGEDLP CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001153895202 1380151234 /nfs/dbraw/zinc/15/12/34/1380151234.db2.gz VXHYBSXLNLCSSD-BRWVUGGUSA-N 2 2 334.508 3.310 20 30 EGEDLP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001153895202 1380151235 /nfs/dbraw/zinc/15/12/35/1380151235.db2.gz VXHYBSXLNLCSSD-BRWVUGGUSA-N 2 2 334.508 3.310 20 30 EGEDLP CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001153895202 1380151237 /nfs/dbraw/zinc/15/12/37/1380151237.db2.gz VXHYBSXLNLCSSD-BRWVUGGUSA-N 2 2 334.508 3.310 20 30 EGEDLP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001153895202 1380151238 /nfs/dbraw/zinc/15/12/38/1380151238.db2.gz VXHYBSXLNLCSSD-BRWVUGGUSA-N 2 2 334.508 3.310 20 30 EGEDLP N#Cc1cc(-n2c[nH+]cc2C2CC[NH2+]CC2)nc2ccc(Cl)cc12 ZINC001155063650 1380401154 /nfs/dbraw/zinc/40/11/54/1380401154.db2.gz VYJNGXNBHGASCZ-UHFFFAOYSA-N 2 2 337.814 3.413 20 30 EGEDLP C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171153416 1384456269 /nfs/dbraw/zinc/45/62/69/1384456269.db2.gz YSHYWKJSIHGHJO-KRWDZBQOSA-N 2 2 334.508 3.353 20 30 EGEDLP C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171153416 1384456271 /nfs/dbraw/zinc/45/62/71/1384456271.db2.gz YSHYWKJSIHGHJO-KRWDZBQOSA-N 2 2 334.508 3.353 20 30 EGEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001171408704 1384514186 /nfs/dbraw/zinc/51/41/86/1384514186.db2.gz LDXIUCHEQZPDMD-QZTJIDSGSA-N 2 2 334.508 3.311 20 30 EGEDLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC001173592603 1384983023 /nfs/dbraw/zinc/98/30/23/1384983023.db2.gz VNDVSVXQYUQYHY-RKDVLTNBSA-N 2 2 341.499 3.338 20 30 EGEDLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC001173592603 1384983025 /nfs/dbraw/zinc/98/30/25/1384983025.db2.gz VNDVSVXQYUQYHY-RKDVLTNBSA-N 2 2 341.499 3.338 20 30 EGEDLP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001175207693 1385220258 /nfs/dbraw/zinc/22/02/58/1385220258.db2.gz ANSGAXYSMPVMQB-JKSUJKDBSA-N 2 2 332.492 3.060 20 30 EGEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001175993701 1385455090 /nfs/dbraw/zinc/45/50/90/1385455090.db2.gz VPGRXXUUFYDYLI-QGZVFWFLSA-N 2 2 340.471 3.327 20 30 EGEDLP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001175993558 1385455172 /nfs/dbraw/zinc/45/51/72/1385455172.db2.gz QXUCGTSBXAIHAG-KRWDZBQOSA-N 2 2 340.471 3.327 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178864591 1386332194 /nfs/dbraw/zinc/33/21/94/1386332194.db2.gz KJBUVJDUPZAXJK-ZWKOTPCHSA-N 2 2 346.519 3.066 20 30 EGEDLP CCCCCCC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H]1C ZINC001179141826 1386409552 /nfs/dbraw/zinc/40/95/52/1386409552.db2.gz OWEZQFBPJCHRFA-IRXDYDNUSA-N 2 2 342.487 3.497 20 30 EGEDLP C=CCCCCC[NH2+]CCCCCCNC(=O)CCn1cc[nH+]c1 ZINC001179176392 1386419019 /nfs/dbraw/zinc/41/90/19/1386419019.db2.gz WBPDHNQIBYNZMT-UHFFFAOYSA-N 2 2 334.508 3.286 20 30 EGEDLP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001179560946 1386514334 /nfs/dbraw/zinc/51/43/34/1386514334.db2.gz CYHXKXGHPRIKPT-MRXNPFEDSA-N 2 2 332.492 3.062 20 30 EGEDLP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001752512165 1440190350 /nfs/dbraw/zinc/19/03/50/1440190350.db2.gz BOYIBUSUWJQUKV-GOSISDBHSA-N 2 2 329.488 3.367 20 30 EGEDLP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001752512165 1440190351 /nfs/dbraw/zinc/19/03/51/1440190351.db2.gz BOYIBUSUWJQUKV-GOSISDBHSA-N 2 2 329.488 3.367 20 30 EGEDLP C=CCC[C@H](C)[N@H+](C)[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001752992450 1440260002 /nfs/dbraw/zinc/26/00/02/1440260002.db2.gz MJXONXMQGLMXCG-RDJZCZTQSA-N 2 2 340.471 3.454 20 30 EGEDLP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001752992450 1440260003 /nfs/dbraw/zinc/26/00/03/1440260003.db2.gz MJXONXMQGLMXCG-RDJZCZTQSA-N 2 2 340.471 3.454 20 30 EGEDLP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001752992773 1440260095 /nfs/dbraw/zinc/26/00/95/1440260095.db2.gz SKYUAQLAHFUHNL-QZTJIDSGSA-N 2 2 346.519 3.204 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001752992773 1440260096 /nfs/dbraw/zinc/26/00/96/1440260096.db2.gz SKYUAQLAHFUHNL-QZTJIDSGSA-N 2 2 346.519 3.204 20 30 EGEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(C#N)ccc3Br)CC[C@@H]21 ZINC000191809097 530058970 /nfs/dbraw/zinc/05/89/70/530058970.db2.gz SMZDEEYEDUZPSN-PBHICJAKSA-N 2 2 348.288 3.237 20 30 EGEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(C#N)ccc3Br)CC[C@@H]21 ZINC000191809097 530058971 /nfs/dbraw/zinc/05/89/71/530058971.db2.gz SMZDEEYEDUZPSN-PBHICJAKSA-N 2 2 348.288 3.237 20 30 EGEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(C#N)ccc3Br)CC[C@@H]21 ZINC000191809097 530058972 /nfs/dbraw/zinc/05/89/72/530058972.db2.gz SMZDEEYEDUZPSN-PBHICJAKSA-N 2 2 348.288 3.237 20 30 EGEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3Br)CC[C@@H]21 ZINC000191809097 530058973 /nfs/dbraw/zinc/05/89/73/530058973.db2.gz SMZDEEYEDUZPSN-PBHICJAKSA-N 2 2 348.288 3.237 20 30 EGEDLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000351591717 144285231 /nfs/dbraw/zinc/28/52/31/144285231.db2.gz GPOMTFHVHSYYIY-AOMKIAJQSA-N 2 2 349.478 3.331 20 30 EGEDLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000351591717 144285233 /nfs/dbraw/zinc/28/52/33/144285233.db2.gz GPOMTFHVHSYYIY-AOMKIAJQSA-N 2 2 349.478 3.331 20 30 EGEDLP C[C@@H]1C[C@@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)C[N@@H+]1C1CC1 ZINC000119563725 152213881 /nfs/dbraw/zinc/21/38/81/152213881.db2.gz SVGHDXYTCBOSML-FTSJTYPLSA-N 2 2 339.483 3.463 20 30 EGEDLP C[C@@H]1C[C@@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)C[N@H+]1C1CC1 ZINC000119563725 152213885 /nfs/dbraw/zinc/21/38/85/152213885.db2.gz SVGHDXYTCBOSML-FTSJTYPLSA-N 2 2 339.483 3.463 20 30 EGEDLP COCC[N@H+](C)CC[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccccc1 ZINC000344231397 164131787 /nfs/dbraw/zinc/13/17/87/164131787.db2.gz LBAYDBQNBQQKSH-LJQANCHMSA-N 2 2 343.496 3.419 20 30 EGEDLP COc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1C#N ZINC000367103216 168179452 /nfs/dbraw/zinc/17/94/52/168179452.db2.gz ZHSWWRAVEOMXNB-UHFFFAOYSA-N 2 2 336.370 3.181 20 30 EGEDLP C[C@@](O)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000271809693 267114467 /nfs/dbraw/zinc/11/44/67/267114467.db2.gz ALMFGFDJWHHFPY-JOCHJYFZSA-N 2 2 349.478 3.020 20 30 EGEDLP Cc1nc(CO[NH+]=C(N)c2ccccc2C[NH+]2CCCCC2)cs1 ZINC000102653977 454513705 /nfs/dbraw/zinc/51/37/05/454513705.db2.gz INFXGGAVEGRLDO-UHFFFAOYSA-N 2 2 344.484 3.275 20 30 EGEDLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1OCCCC#N ZINC000237316928 455172270 /nfs/dbraw/zinc/17/22/70/455172270.db2.gz XKHGYYKQDFQXIG-MSOLQXFVSA-N 2 2 343.471 3.094 20 30 EGEDLP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1OCCCC#N ZINC000237316928 455172273 /nfs/dbraw/zinc/17/22/73/455172273.db2.gz XKHGYYKQDFQXIG-MSOLQXFVSA-N 2 2 343.471 3.094 20 30 EGEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](CCC#N)CCC(C)C)c2cc1C ZINC000173545771 455303183 /nfs/dbraw/zinc/30/31/83/455303183.db2.gz TVUBEVFZGCAWMN-SFHVURJKSA-N 2 2 342.487 3.276 20 30 EGEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](CCC#N)CCC(C)C)c2cc1C ZINC000173545771 455303187 /nfs/dbraw/zinc/30/31/87/455303187.db2.gz TVUBEVFZGCAWMN-SFHVURJKSA-N 2 2 342.487 3.276 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)Cc2cc(OC)c(OC)cc2C)CC1 ZINC000337373505 456349764 /nfs/dbraw/zinc/34/97/64/456349764.db2.gz FDLKUMQAMJVXHI-MRXNPFEDSA-N 2 2 332.488 3.183 20 30 EGEDLP CCn1cc[nH+]c1[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCOCC1 ZINC000329152481 456844117 /nfs/dbraw/zinc/84/41/17/456844117.db2.gz ARJKXVQMFWFRSP-XIRDDKMYSA-N 2 2 348.491 3.058 20 30 EGEDLP CCn1cc[nH+]c1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCOCC1 ZINC000329152481 456844123 /nfs/dbraw/zinc/84/41/23/456844123.db2.gz ARJKXVQMFWFRSP-XIRDDKMYSA-N 2 2 348.491 3.058 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2nc3ccc(OC)cc3s2)CC1 ZINC000353760867 456895047 /nfs/dbraw/zinc/89/50/47/456895047.db2.gz RNLPDAOLSHSNGX-UHFFFAOYSA-N 2 2 331.485 3.435 20 30 EGEDLP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330317906 457026515 /nfs/dbraw/zinc/02/65/15/457026515.db2.gz BZJGIDGZTPMWJB-GDBMZVCRSA-N 2 2 345.447 3.007 20 30 EGEDLP C=C(C)COc1cc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)ccc1OC ZINC000368137165 458013716 /nfs/dbraw/zinc/01/37/16/458013716.db2.gz XXTCKWMZGHFQSK-KRWDZBQOSA-N 2 2 341.455 3.373 20 30 EGEDLP C=C(C)COc1cc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)ccc1OC ZINC000368137165 458013721 /nfs/dbraw/zinc/01/37/21/458013721.db2.gz XXTCKWMZGHFQSK-KRWDZBQOSA-N 2 2 341.455 3.373 20 30 EGEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2OC(F)F)C[C@H]1C ZINC000437890817 458507967 /nfs/dbraw/zinc/50/79/67/458507967.db2.gz NLPVZKYXASFMCT-CJNGLKHVSA-N 2 2 337.414 3.464 20 30 EGEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2OC(F)F)C[C@H]1C ZINC000437890817 458507969 /nfs/dbraw/zinc/50/79/69/458507969.db2.gz NLPVZKYXASFMCT-CJNGLKHVSA-N 2 2 337.414 3.464 20 30 EGEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2OC(F)F)C[C@H]1C ZINC000437890817 458507972 /nfs/dbraw/zinc/50/79/72/458507972.db2.gz NLPVZKYXASFMCT-CJNGLKHVSA-N 2 2 337.414 3.464 20 30 EGEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)C[C@H]1C ZINC000437890817 458507975 /nfs/dbraw/zinc/50/79/75/458507975.db2.gz NLPVZKYXASFMCT-CJNGLKHVSA-N 2 2 337.414 3.464 20 30 EGEDLP C=CC[NH+](CC=C)[C@@H](CNCc1cn2cc(C)ccc2[nH+]1)C(C)C ZINC000515168134 458806503 /nfs/dbraw/zinc/80/65/03/458806503.db2.gz DUBSUCNRSZFPOO-IBGZPJMESA-N 2 2 326.488 3.431 20 30 EGEDLP C=CC[NH+]1CCC([NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC1 ZINC000496349381 459161613 /nfs/dbraw/zinc/16/16/13/459161613.db2.gz SBAQENOTSKAYKN-UHFFFAOYSA-N 2 2 339.524 3.262 20 30 EGEDLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C[C@@H](C#N)CCC#N ZINC000559703650 459273342 /nfs/dbraw/zinc/27/33/42/459273342.db2.gz SRMXMQKZPJYVQZ-QGZVFWFLSA-N 2 2 336.439 3.445 20 30 EGEDLP N#Cc1sccc1N1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000595630822 459376217 /nfs/dbraw/zinc/37/62/17/459376217.db2.gz LTYQHWFBGJARLM-UHFFFAOYSA-N 2 2 349.463 3.128 20 30 EGEDLP C[N@H+](CCC#N)C[C@H](O)CNc1ccc([NH2+]C2CCCCC2)cc1 ZINC000591773798 459433109 /nfs/dbraw/zinc/43/31/09/459433109.db2.gz XZVSQYAAARKYPZ-LJQANCHMSA-N 2 2 330.476 3.049 20 30 EGEDLP C[N@@H+](CCC#N)C[C@H](O)CNc1ccc([NH2+]C2CCCCC2)cc1 ZINC000591773798 459433116 /nfs/dbraw/zinc/43/31/16/459433116.db2.gz XZVSQYAAARKYPZ-LJQANCHMSA-N 2 2 330.476 3.049 20 30 EGEDLP CC[N@@H+](Cc1ccc(C#N)cn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000569768396 459505623 /nfs/dbraw/zinc/50/56/23/459505623.db2.gz FBUVLYBQHFPBLX-UHFFFAOYSA-N 2 2 335.455 3.087 20 30 EGEDLP CC[N@H+](Cc1ccc(C#N)cn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000569768396 459505628 /nfs/dbraw/zinc/50/56/28/459505628.db2.gz FBUVLYBQHFPBLX-UHFFFAOYSA-N 2 2 335.455 3.087 20 30 EGEDLP Cc1cc(N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C#N)c[nH+]1 ZINC000575175806 459941153 /nfs/dbraw/zinc/94/11/53/459941153.db2.gz SBYNWBFRBZMUBH-UHFFFAOYSA-N 2 2 335.455 3.400 20 30 EGEDLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCc3cc(C#N)ccc32)C[C@H](C)O1 ZINC000611390089 460352951 /nfs/dbraw/zinc/35/29/51/460352951.db2.gz BBWCRTMNJVTJKT-YRNRMSPPSA-N 2 2 327.472 3.025 20 30 EGEDLP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCc3cc(C#N)ccc32)C[C@H](C)O1 ZINC000611390089 460352956 /nfs/dbraw/zinc/35/29/56/460352956.db2.gz BBWCRTMNJVTJKT-YRNRMSPPSA-N 2 2 327.472 3.025 20 30 EGEDLP N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000617196431 460772706 /nfs/dbraw/zinc/77/27/06/460772706.db2.gz INFPFBRENQCGHN-OAHLLOKOSA-N 2 2 345.244 3.354 20 30 EGEDLP N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000617196431 460772712 /nfs/dbraw/zinc/77/27/12/460772712.db2.gz INFPFBRENQCGHN-OAHLLOKOSA-N 2 2 345.244 3.354 20 30 EGEDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C#N)ccc2Br)C1 ZINC000191804870 527819009 /nfs/dbraw/zinc/81/90/09/527819009.db2.gz WPTBTWGGPFBSJR-AWEZNQCLSA-N 2 2 336.277 3.094 20 30 EGEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C#N)ccc2Br)C1 ZINC000191804870 527819019 /nfs/dbraw/zinc/81/90/19/527819019.db2.gz WPTBTWGGPFBSJR-AWEZNQCLSA-N 2 2 336.277 3.094 20 30 EGEDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000191804870 527819032 /nfs/dbraw/zinc/81/90/32/527819032.db2.gz WPTBTWGGPFBSJR-AWEZNQCLSA-N 2 2 336.277 3.094 20 30 EGEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000191804870 527819033 /nfs/dbraw/zinc/81/90/33/527819033.db2.gz WPTBTWGGPFBSJR-AWEZNQCLSA-N 2 2 336.277 3.094 20 30 EGEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1OC ZINC000678234873 549435562 /nfs/dbraw/zinc/43/55/62/549435562.db2.gz MOIKPRQADLBFLL-KRWDZBQOSA-N 2 2 327.428 3.294 20 30 EGEDLP C=CCOc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1OC ZINC000678234873 549435566 /nfs/dbraw/zinc/43/55/66/549435566.db2.gz MOIKPRQADLBFLL-KRWDZBQOSA-N 2 2 327.428 3.294 20 30 EGEDLP C=C(Br)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000125104225 1293495534 /nfs/dbraw/zinc/49/55/34/1293495534.db2.gz HEYIRVLBJVAEMJ-UHFFFAOYSA-N 2 2 338.293 3.220 20 30 EGEDLP CCC[C@@]1(C)CCCN(C(NCCc2cn3c([nH+]2)CCCC3)=[NH+]C)C1 ZINC000128327081 1293589246 /nfs/dbraw/zinc/58/92/46/1293589246.db2.gz GSMPIONDPGEXFV-FQEVSTJZSA-N 2 2 345.535 3.240 20 30 EGEDLP CN(C)C(NCc1ccccc1)=[NH+]C[C@@H](c1cccs1)[NH+](C)C ZINC000303774889 1296851993 /nfs/dbraw/zinc/85/19/93/1296851993.db2.gz GHVDGRFODUYFMO-INIZCTEOSA-N 2 2 330.501 3.058 20 30 EGEDLP C[NH+]1CCN(c2cccc(Cl)c2C=[NH+]OCc2cccnc2)CC1 ZINC000746587981 1298619380 /nfs/dbraw/zinc/61/93/80/1298619380.db2.gz HVEULCPVXWXDDY-UHFFFAOYSA-N 2 2 344.846 3.038 20 30 EGEDLP CCc1cccc(OCCO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)c1 ZINC000782336895 1304958196 /nfs/dbraw/zinc/95/81/96/1304958196.db2.gz IAAPZOQEMTZGHX-UHFFFAOYSA-N 2 2 341.455 3.027 20 30 EGEDLP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000902741263 1317611827 /nfs/dbraw/zinc/61/18/27/1317611827.db2.gz PIVAPJBDXBIUIX-FGZHOGPDSA-N 2 2 349.478 3.018 20 30 EGEDLP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000902741263 1317611835 /nfs/dbraw/zinc/61/18/35/1317611835.db2.gz PIVAPJBDXBIUIX-FGZHOGPDSA-N 2 2 349.478 3.018 20 30 EGEDLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)cn1 ZINC000810210966 1317977244 /nfs/dbraw/zinc/97/72/44/1317977244.db2.gz IJLUGEKNKNJPTK-LJQANCHMSA-N 2 2 329.407 3.225 20 30 EGEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021612869 1318460026 /nfs/dbraw/zinc/46/00/26/1318460026.db2.gz HDKGRZDJYOLORZ-HNAYVOBHSA-N 2 2 338.455 3.066 20 30 EGEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021612869 1318460029 /nfs/dbraw/zinc/46/00/29/1318460029.db2.gz HDKGRZDJYOLORZ-HNAYVOBHSA-N 2 2 338.455 3.066 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025238812 1324030537 /nfs/dbraw/zinc/03/05/37/1324030537.db2.gz WROFWXJTCMNRPS-MOPGFXCFSA-N 2 2 344.503 3.154 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025238812 1324030542 /nfs/dbraw/zinc/03/05/42/1324030542.db2.gz WROFWXJTCMNRPS-MOPGFXCFSA-N 2 2 344.503 3.154 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025238812 1324030549 /nfs/dbraw/zinc/03/05/49/1324030549.db2.gz WROFWXJTCMNRPS-MOPGFXCFSA-N 2 2 344.503 3.154 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025238812 1324030555 /nfs/dbraw/zinc/03/05/55/1324030555.db2.gz WROFWXJTCMNRPS-MOPGFXCFSA-N 2 2 344.503 3.154 20 30 EGEDLP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025290133 1324115209 /nfs/dbraw/zinc/11/52/09/1324115209.db2.gz YODBKWHEXGDEIE-SJORKVTESA-N 2 2 344.503 3.109 20 30 EGEDLP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025290133 1324115210 /nfs/dbraw/zinc/11/52/10/1324115210.db2.gz YODBKWHEXGDEIE-SJORKVTESA-N 2 2 344.503 3.109 20 30 EGEDLP C=C(C)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025422322 1324255833 /nfs/dbraw/zinc/25/58/33/1324255833.db2.gz IAYBBPYVMDSSIF-FUHWJXTLSA-N 2 2 340.471 3.049 20 30 EGEDLP C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025422322 1324255838 /nfs/dbraw/zinc/25/58/38/1324255838.db2.gz IAYBBPYVMDSSIF-FUHWJXTLSA-N 2 2 340.471 3.049 20 30 EGEDLP C=CCC[NH+]1CCC(C)(NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001045606445 1346643904 /nfs/dbraw/zinc/64/39/04/1346643904.db2.gz SPIPSNGBSCJTBG-UHFFFAOYSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)CC[NH+]1CCC2(CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC1 ZINC001050565111 1348291007 /nfs/dbraw/zinc/29/10/07/1348291007.db2.gz WEKBXWGQHQYDAC-UHFFFAOYSA-N 2 2 338.455 3.067 20 30 EGEDLP CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001184274976 1387422150 /nfs/dbraw/zinc/42/21/50/1387422150.db2.gz UXUHYLRLNCFKQV-MSOLQXFVSA-N 2 2 348.535 3.387 20 30 EGEDLP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001184851410 1387549146 /nfs/dbraw/zinc/54/91/46/1387549146.db2.gz NCDYYGIUWQJNSP-CRAIPNDOSA-N 2 2 329.488 3.271 20 30 EGEDLP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001184905869 1387559682 /nfs/dbraw/zinc/55/96/82/1387559682.db2.gz XNFODJBYMLEDKW-OALUTQOASA-N 2 2 346.519 3.094 20 30 EGEDLP C=CCCCCC[NH2+]C1CC(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001100500460 1364137190 /nfs/dbraw/zinc/13/71/90/1364137190.db2.gz NDISUBIHXCFRBC-UHFFFAOYSA-N 2 2 340.471 3.179 20 30 EGEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001103144044 1365407103 /nfs/dbraw/zinc/40/71/03/1365407103.db2.gz FYVMFDOFJSCMHK-TZMCWYRMSA-N 2 2 346.862 3.003 20 30 EGEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001103144044 1365407105 /nfs/dbraw/zinc/40/71/05/1365407105.db2.gz FYVMFDOFJSCMHK-TZMCWYRMSA-N 2 2 346.862 3.003 20 30 EGEDLP C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001104468622 1366040173 /nfs/dbraw/zinc/04/01/73/1366040173.db2.gz LUBUPEBPEUCQRS-RTBURBONSA-N 2 2 346.519 3.094 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001105096893 1366325071 /nfs/dbraw/zinc/32/50/71/1366325071.db2.gz BVFUXJHYROZTAN-GUDVDZBRSA-N 2 2 346.519 3.092 20 30 EGEDLP C=CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)CCC1 ZINC001105566947 1366535216 /nfs/dbraw/zinc/53/52/16/1366535216.db2.gz ZZTQYCNUBYRISI-GOSISDBHSA-N 2 2 344.503 3.059 20 30 EGEDLP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001110684422 1367926296 /nfs/dbraw/zinc/92/62/96/1367926296.db2.gz JPYFDCDQSZMKMG-VDCDIQELSA-N 2 2 344.503 3.205 20 30 EGEDLP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001110684422 1367926298 /nfs/dbraw/zinc/92/62/98/1367926298.db2.gz JPYFDCDQSZMKMG-VDCDIQELSA-N 2 2 344.503 3.205 20 30 EGEDLP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001110684422 1367926301 /nfs/dbraw/zinc/92/63/01/1367926301.db2.gz JPYFDCDQSZMKMG-VDCDIQELSA-N 2 2 344.503 3.205 20 30 EGEDLP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001110684422 1367926303 /nfs/dbraw/zinc/92/63/03/1367926303.db2.gz JPYFDCDQSZMKMG-VDCDIQELSA-N 2 2 344.503 3.205 20 30 EGEDLP C=CCCCCC[NH2+]C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001202693703 1369853748 /nfs/dbraw/zinc/85/37/48/1369853748.db2.gz CMBQXEHYTNIZGW-KRWDZBQOSA-N 2 2 332.492 3.161 20 30 EGEDLP C=CCC[NH2+][C@H]1C[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C12CCC2 ZINC001203190962 1370017813 /nfs/dbraw/zinc/01/78/13/1370017813.db2.gz BQTWNMULDUFVRS-IRXDYDNUSA-N 2 2 327.472 3.214 20 30 EGEDLP C=CCOc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001204301365 1370436093 /nfs/dbraw/zinc/43/60/93/1370436093.db2.gz XHLJLRNBBLRWKY-OYRHEFFESA-N 2 2 349.478 3.210 20 30 EGEDLP C=CCOc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001204301365 1370436094 /nfs/dbraw/zinc/43/60/94/1370436094.db2.gz XHLJLRNBBLRWKY-OYRHEFFESA-N 2 2 349.478 3.210 20 30 EGEDLP C=CCOc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001204301365 1370436095 /nfs/dbraw/zinc/43/60/95/1370436095.db2.gz XHLJLRNBBLRWKY-OYRHEFFESA-N 2 2 349.478 3.210 20 30 EGEDLP C=CCOc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001204301365 1370436096 /nfs/dbraw/zinc/43/60/96/1370436096.db2.gz XHLJLRNBBLRWKY-OYRHEFFESA-N 2 2 349.478 3.210 20 30 EGEDLP C=CCOc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001204301366 1370436534 /nfs/dbraw/zinc/43/65/34/1370436534.db2.gz XHLJLRNBBLRWKY-SFTDATJTSA-N 2 2 349.478 3.210 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001207681134 1371472919 /nfs/dbraw/zinc/47/29/19/1371472919.db2.gz IEJOYOQXBVXQFN-SJLPKXTDSA-N 2 2 346.519 3.110 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001207681134 1371472920 /nfs/dbraw/zinc/47/29/20/1371472920.db2.gz IEJOYOQXBVXQFN-SJLPKXTDSA-N 2 2 346.519 3.110 20 30 EGEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001210438625 1372353024 /nfs/dbraw/zinc/35/30/24/1372353024.db2.gz VNSFIDKQKXPNAX-GOSISDBHSA-N 2 2 338.455 3.033 20 30 EGEDLP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001210667061 1372403021 /nfs/dbraw/zinc/40/30/21/1372403021.db2.gz CPFYFSFZYONYQB-INIZCTEOSA-N 2 2 332.492 3.014 20 30 EGEDLP CCCCCCC[NH+]1CCC(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001228249161 1375534148 /nfs/dbraw/zinc/53/41/48/1375534148.db2.gz IEYGTOUJEFFZLL-UHFFFAOYSA-N 2 2 342.487 3.499 20 30 EGEDLP CCCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001148418871 1379168757 /nfs/dbraw/zinc/16/87/57/1379168757.db2.gz WBONMDTXHOMKKW-KRWDZBQOSA-N 2 2 346.519 3.093 20 30 EGEDLP CCCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001148418871 1379168760 /nfs/dbraw/zinc/16/87/60/1379168760.db2.gz WBONMDTXHOMKKW-KRWDZBQOSA-N 2 2 346.519 3.093 20 30 EGEDLP CCCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001148418871 1379168762 /nfs/dbraw/zinc/16/87/62/1379168762.db2.gz WBONMDTXHOMKKW-KRWDZBQOSA-N 2 2 346.519 3.093 20 30 EGEDLP CCCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001148418871 1379168764 /nfs/dbraw/zinc/16/87/64/1379168764.db2.gz WBONMDTXHOMKKW-KRWDZBQOSA-N 2 2 346.519 3.093 20 30 EGEDLP C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001154066097 1380196957 /nfs/dbraw/zinc/19/69/57/1380196957.db2.gz LULMJHOLIFJAJB-MSOLQXFVSA-N 2 2 346.519 3.019 20 30 EGEDLP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001154066097 1380196961 /nfs/dbraw/zinc/19/69/61/1380196961.db2.gz LULMJHOLIFJAJB-MSOLQXFVSA-N 2 2 346.519 3.019 20 30 EGEDLP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001154491957 1380288779 /nfs/dbraw/zinc/28/87/79/1380288779.db2.gz BUUCCPOUVYUBIM-QGZVFWFLSA-N 2 2 340.471 3.279 20 30 EGEDLP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001154491957 1380288783 /nfs/dbraw/zinc/28/87/83/1380288783.db2.gz BUUCCPOUVYUBIM-QGZVFWFLSA-N 2 2 340.471 3.279 20 30 EGEDLP C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001155189482 1380422061 /nfs/dbraw/zinc/42/20/61/1380422061.db2.gz PDKZURSGAQRWRK-SJORKVTESA-N 2 2 346.519 3.403 20 30 EGEDLP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001155189482 1380422062 /nfs/dbraw/zinc/42/20/62/1380422062.db2.gz PDKZURSGAQRWRK-SJORKVTESA-N 2 2 346.519 3.403 20 30 EGEDLP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001158050919 1381112817 /nfs/dbraw/zinc/11/28/17/1381112817.db2.gz YQZLTIHTCVRNAJ-FUHWJXTLSA-N 2 2 332.492 3.010 20 30 EGEDLP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001158050919 1381112823 /nfs/dbraw/zinc/11/28/23/1381112823.db2.gz YQZLTIHTCVRNAJ-FUHWJXTLSA-N 2 2 332.492 3.010 20 30 EGEDLP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001158050919 1381112824 /nfs/dbraw/zinc/11/28/24/1381112824.db2.gz YQZLTIHTCVRNAJ-FUHWJXTLSA-N 2 2 332.492 3.010 20 30 EGEDLP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001158050919 1381112830 /nfs/dbraw/zinc/11/28/30/1381112830.db2.gz YQZLTIHTCVRNAJ-FUHWJXTLSA-N 2 2 332.492 3.010 20 30 EGEDLP C=CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001158744802 1381379745 /nfs/dbraw/zinc/37/97/45/1381379745.db2.gz SUSDZYZGDKYTCR-GOSISDBHSA-N 2 2 346.519 3.022 20 30 EGEDLP C=CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001158744802 1381379754 /nfs/dbraw/zinc/37/97/54/1381379754.db2.gz SUSDZYZGDKYTCR-GOSISDBHSA-N 2 2 346.519 3.022 20 30 EGEDLP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001165636640 1383318472 /nfs/dbraw/zinc/31/84/72/1383318472.db2.gz DPIXMRFGUOOPBK-SFHVURJKSA-N 2 2 346.519 3.313 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3Cc4cccc(F)c4C3)CC2)cc1 ZINC001171776064 1384632431 /nfs/dbraw/zinc/63/24/31/1384632431.db2.gz NOVPLUCUORJZSP-HXUWFJFHSA-N 2 2 349.453 3.419 20 30 EGEDLP C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001171896379 1384673126 /nfs/dbraw/zinc/67/31/26/1384673126.db2.gz NDVXHNZIYWWNMX-GOSISDBHSA-N 2 2 348.535 3.364 20 30 EGEDLP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001175210285 1385221285 /nfs/dbraw/zinc/22/12/85/1385221285.db2.gz SZJAEMQZTUBEDM-HZPDHXFCSA-N 2 2 332.492 3.060 20 30 EGEDLP C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)CCc1[nH]cc[nH+]1 ZINC001177301066 1385904067 /nfs/dbraw/zinc/90/40/67/1385904067.db2.gz PSEIRGICYHNHSS-UHFFFAOYSA-N 2 2 346.519 3.307 20 30 EGEDLP C=CCCC[NH2+]CCCCCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001178827437 1386319367 /nfs/dbraw/zinc/31/93/67/1386319367.db2.gz JGWGFVOYVYTYAM-UHFFFAOYSA-N 2 2 328.460 3.409 20 30 EGEDLP C=CCC[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001494273438 1396416081 /nfs/dbraw/zinc/41/60/81/1396416081.db2.gz OGMRWMMOOLXUMK-GOEBONIOSA-N 2 2 326.444 3.112 20 30 EGEDLP C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001494273438 1396416085 /nfs/dbraw/zinc/41/60/85/1396416085.db2.gz OGMRWMMOOLXUMK-GOEBONIOSA-N 2 2 326.444 3.112 20 30 EGEDLP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001715563940 1420254935 /nfs/dbraw/zinc/25/49/35/1420254935.db2.gz HQVGANVFJSGOPQ-HOTGVXAUSA-N 2 2 335.879 3.247 20 30 EGEDLP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001731292458 1427234861 /nfs/dbraw/zinc/23/48/61/1427234861.db2.gz FETYVMSYZXVVOH-SUMWQHHRSA-N 2 2 346.862 3.288 20 30 EGEDLP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001754945911 1440712923 /nfs/dbraw/zinc/71/29/23/1440712923.db2.gz NGOBQDINGPZKOY-UHFFFAOYSA-N 2 2 348.450 3.191 20 30 EGEDLP C=CC[N@H+](C)Cc1ccccc1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001754945911 1440712924 /nfs/dbraw/zinc/71/29/24/1440712924.db2.gz NGOBQDINGPZKOY-UHFFFAOYSA-N 2 2 348.450 3.191 20 30 EGEDLP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001755183783 1440772035 /nfs/dbraw/zinc/77/20/35/1440772035.db2.gz RMIGBFMXOGIYBI-IBGZPJMESA-N 2 2 346.519 3.217 20 30 EGEDLP C=CC[N@H+](CC)CC1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001755183783 1440772036 /nfs/dbraw/zinc/77/20/36/1440772036.db2.gz RMIGBFMXOGIYBI-IBGZPJMESA-N 2 2 346.519 3.217 20 30 EGEDLP C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001755888515 1440940791 /nfs/dbraw/zinc/94/07/91/1440940791.db2.gz BMUPNLADLOUACL-QGZVFWFLSA-N 2 2 344.503 3.030 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001755888515 1440940792 /nfs/dbraw/zinc/94/07/92/1440940792.db2.gz BMUPNLADLOUACL-QGZVFWFLSA-N 2 2 344.503 3.030 20 30 EGEDLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000181186157 234111402 /nfs/dbraw/zinc/11/14/02/234111402.db2.gz QXJWYZVXVATBRS-UHFFFAOYSA-N 2 2 347.260 3.348 20 30 EGEDLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(C#N)cc1Br ZINC000181186157 234111406 /nfs/dbraw/zinc/11/14/06/234111406.db2.gz QXJWYZVXVATBRS-UHFFFAOYSA-N 2 2 347.260 3.348 20 30 EGEDLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000351591719 144284728 /nfs/dbraw/zinc/28/47/28/144284728.db2.gz GPOMTFHVHSYYIY-OPAMFIHVSA-N 2 2 349.478 3.331 20 30 EGEDLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000351591719 144284729 /nfs/dbraw/zinc/28/47/29/144284729.db2.gz GPOMTFHVHSYYIY-OPAMFIHVSA-N 2 2 349.478 3.331 20 30 EGEDLP CCOC[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000189345306 153065405 /nfs/dbraw/zinc/06/54/05/153065405.db2.gz VEYCEQWZURJZQG-FQEVSTJZSA-N 2 2 329.488 3.173 20 30 EGEDLP C[N@@H+]1CCCC12CC[NH+](Cc1ccc(C#N)cc1OC(F)F)CC2 ZINC000343779438 164033583 /nfs/dbraw/zinc/03/35/83/164033583.db2.gz ZJWOVUDUKIPADT-UHFFFAOYSA-N 2 2 335.398 3.220 20 30 EGEDLP C[N@H+]1CCCC12CC[NH+](Cc1ccc(C#N)cc1OC(F)F)CC2 ZINC000343779438 164033586 /nfs/dbraw/zinc/03/35/86/164033586.db2.gz ZJWOVUDUKIPADT-UHFFFAOYSA-N 2 2 335.398 3.220 20 30 EGEDLP C[N@H+](CCOCc1ccc(C#N)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000344119519 164107416 /nfs/dbraw/zinc/10/74/16/164107416.db2.gz PEESVCXVZSMLHS-UHFFFAOYSA-N 2 2 346.434 3.393 20 30 EGEDLP C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000344119519 164107417 /nfs/dbraw/zinc/10/74/17/164107417.db2.gz PEESVCXVZSMLHS-UHFFFAOYSA-N 2 2 346.434 3.393 20 30 EGEDLP COCC[N@H+](C)CC[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccccc1 ZINC000344274869 164144069 /nfs/dbraw/zinc/14/40/69/164144069.db2.gz VCMWAQCQGWALEF-IBGZPJMESA-N 2 2 343.496 3.419 20 30 EGEDLP COCC[N@@H+](C)CC[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccccc1 ZINC000344274869 164144072 /nfs/dbraw/zinc/14/40/72/164144072.db2.gz VCMWAQCQGWALEF-IBGZPJMESA-N 2 2 343.496 3.419 20 30 EGEDLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437897829 270051628 /nfs/dbraw/zinc/05/16/28/270051628.db2.gz SOJFVVCZBUWYKW-OAHLLOKOSA-N 2 2 337.414 3.323 20 30 EGEDLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437897829 270051629 /nfs/dbraw/zinc/05/16/29/270051629.db2.gz SOJFVVCZBUWYKW-OAHLLOKOSA-N 2 2 337.414 3.323 20 30 EGEDLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437897829 270051630 /nfs/dbraw/zinc/05/16/30/270051630.db2.gz SOJFVVCZBUWYKW-OAHLLOKOSA-N 2 2 337.414 3.323 20 30 EGEDLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437897829 270051631 /nfs/dbraw/zinc/05/16/31/270051631.db2.gz SOJFVVCZBUWYKW-OAHLLOKOSA-N 2 2 337.414 3.323 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCOCC3CCCC3)CC2)cc1 ZINC000453415728 270053529 /nfs/dbraw/zinc/05/35/29/270053529.db2.gz ZIDUYCHTLRSKMM-UHFFFAOYSA-N 2 2 341.499 3.319 20 30 EGEDLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000568414480 316773371 /nfs/dbraw/zinc/77/33/71/316773371.db2.gz MAURTDWWMDIJSV-SFHVURJKSA-N 2 2 340.515 3.237 20 30 EGEDLP Cc1cc(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(C#N)c[nH+]1 ZINC000571635480 317226732 /nfs/dbraw/zinc/22/67/32/317226732.db2.gz HMJCPCFNIHCSFP-KDOFPFPSSA-N 2 2 326.469 3.240 20 30 EGEDLP Cc1cc(NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(C#N)c[nH+]1 ZINC000571635480 317226734 /nfs/dbraw/zinc/22/67/34/317226734.db2.gz HMJCPCFNIHCSFP-KDOFPFPSSA-N 2 2 326.469 3.240 20 30 EGEDLP CC[NH+]=C(NCCc1cccs1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000159981052 455420609 /nfs/dbraw/zinc/42/06/09/455420609.db2.gz ZJGXMFQXNRDEPD-NVXWUHKLSA-N 2 2 345.516 3.036 20 30 EGEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)Cc3cccc(C#N)c3)c2cc1C ZINC000051322655 454618503 /nfs/dbraw/zinc/61/85/03/454618503.db2.gz YHKNPWVTAIGJDU-IBGZPJMESA-N 2 2 348.450 3.018 20 30 EGEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)Cc3cccc(C#N)c3)c2cc1C ZINC000051322655 454618507 /nfs/dbraw/zinc/61/85/07/454618507.db2.gz YHKNPWVTAIGJDU-IBGZPJMESA-N 2 2 348.450 3.018 20 30 EGEDLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000109015468 454819175 /nfs/dbraw/zinc/81/91/75/454819175.db2.gz YBMSXXDSWHIJJU-HXUWFJFHSA-N 2 2 335.451 3.321 20 30 EGEDLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000109015468 454819176 /nfs/dbraw/zinc/81/91/76/454819176.db2.gz YBMSXXDSWHIJJU-HXUWFJFHSA-N 2 2 335.451 3.321 20 30 EGEDLP FC(F)(F)c1ccc(C#CC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000177266687 454844527 /nfs/dbraw/zinc/84/45/27/454844527.db2.gz YUBNMFLBDRTFMF-QGZVFWFLSA-N 2 2 336.401 3.475 20 30 EGEDLP FC(F)(F)c1ccc(C#CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000177266687 454844530 /nfs/dbraw/zinc/84/45/30/454844530.db2.gz YUBNMFLBDRTFMF-QGZVFWFLSA-N 2 2 336.401 3.475 20 30 EGEDLP Cc1cc(N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nc(C2CC2)[nH+]1 ZINC000268317455 455650000 /nfs/dbraw/zinc/65/00/00/455650000.db2.gz LYSZMUMTEBSSLQ-UHFFFAOYSA-N 2 2 335.455 3.102 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCc3oc(C(=O)OCC)c(C)c32)CC1 ZINC000192839356 455703764 /nfs/dbraw/zinc/70/37/64/455703764.db2.gz LOMIURZCHAVLKR-INIZCTEOSA-N 2 2 346.471 3.382 20 30 EGEDLP CC1(C)CCC[C@]1(O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000292961694 455767317 /nfs/dbraw/zinc/76/73/17/455767317.db2.gz LMLNXSSTPFHTFZ-NRFANRHFSA-N 2 2 341.499 3.053 20 30 EGEDLP Cc1ccccc1[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271807992 455769151 /nfs/dbraw/zinc/76/91/51/455769151.db2.gz AFMDZBFLGAIFHL-QFIPXVFZSA-N 2 2 349.478 3.154 20 30 EGEDLP Cc1ccc2[nH+]c(CN(CC[NH+](C)C)Cc3ccc(C#N)cc3)cn2c1 ZINC000289955753 456194393 /nfs/dbraw/zinc/19/43/93/456194393.db2.gz YBRZILMHDRERLO-UHFFFAOYSA-N 2 2 347.466 3.078 20 30 EGEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+]C1CCN(c2nccs2)CC1)C(C)C ZINC000291112974 456532916 /nfs/dbraw/zinc/53/29/16/456532916.db2.gz TUIIODXWKUTGSK-SFHVURJKSA-N 2 2 348.560 3.400 20 30 EGEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](Cc3ccccn3)CC1)CC2 ZINC000353413893 456686346 /nfs/dbraw/zinc/68/63/46/456686346.db2.gz RLCUFVRBYCWBIL-NRFANRHFSA-N 2 2 332.451 3.195 20 30 EGEDLP COc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc1OCCCC#N ZINC000299445830 456695214 /nfs/dbraw/zinc/69/52/14/456695214.db2.gz MFQDZAQRSYYNFF-MRXNPFEDSA-N 2 2 342.443 3.000 20 30 EGEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)CCC2 ZINC000328662991 456732812 /nfs/dbraw/zinc/73/28/12/456732812.db2.gz XSCHFVKRRLNNHS-RDJZCZTQSA-N 2 2 330.476 3.432 20 30 EGEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)CCC2 ZINC000328662991 456732817 /nfs/dbraw/zinc/73/28/17/456732817.db2.gz XSCHFVKRRLNNHS-RDJZCZTQSA-N 2 2 330.476 3.432 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C(=O)OCC)c3ccccc32)CC1 ZINC000283506163 456792367 /nfs/dbraw/zinc/79/23/67/456792367.db2.gz ZCUBIYDFHMNEJA-WOJBJXKFSA-N 2 2 342.483 3.408 20 30 EGEDLP Cc1cc(N2CC[NH+](Cc3ccc(C#N)c(C)c3)CC2)nc(C(C)C)[nH+]1 ZINC000362952954 457172098 /nfs/dbraw/zinc/17/20/98/457172098.db2.gz WINLUSCGECAQHD-UHFFFAOYSA-N 2 2 349.482 3.411 20 30 EGEDLP C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000438068131 458528040 /nfs/dbraw/zinc/52/80/40/458528040.db2.gz RAYYOMTVBNFPNM-MRXNPFEDSA-N 2 2 340.389 3.210 20 30 EGEDLP C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000438068131 458528043 /nfs/dbraw/zinc/52/80/43/458528043.db2.gz RAYYOMTVBNFPNM-MRXNPFEDSA-N 2 2 340.389 3.210 20 30 EGEDLP C[NH+](CC#Cc1ccc(OC(F)(F)F)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000438068131 458528048 /nfs/dbraw/zinc/52/80/48/458528048.db2.gz RAYYOMTVBNFPNM-MRXNPFEDSA-N 2 2 340.389 3.210 20 30 EGEDLP C[NH+](CC#Cc1ccc(OC(F)(F)F)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000438068131 458528052 /nfs/dbraw/zinc/52/80/52/458528052.db2.gz RAYYOMTVBNFPNM-MRXNPFEDSA-N 2 2 340.389 3.210 20 30 EGEDLP N#CCCCOc1cccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000594520923 459078466 /nfs/dbraw/zinc/07/84/66/459078466.db2.gz RORNDKGVBIMNMH-VQTJNVASSA-N 2 2 327.472 3.476 20 30 EGEDLP N#CCCCOc1cccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000594520923 459078469 /nfs/dbraw/zinc/07/84/69/459078469.db2.gz RORNDKGVBIMNMH-VQTJNVASSA-N 2 2 327.472 3.476 20 30 EGEDLP C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000579473913 459247076 /nfs/dbraw/zinc/24/70/76/459247076.db2.gz SCKZMNMJEAQMQF-ROUUACIJSA-N 2 2 330.472 3.367 20 30 EGEDLP C=CCOc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000579473913 459247083 /nfs/dbraw/zinc/24/70/83/459247083.db2.gz SCKZMNMJEAQMQF-ROUUACIJSA-N 2 2 330.472 3.367 20 30 EGEDLP COc1ccc([C@@H]([NH2+]CCc2ccc(C#N)cc2)[C@H]2CCC[NH2+]2)cc1 ZINC000596652445 459715993 /nfs/dbraw/zinc/71/59/93/459715993.db2.gz UMAQSJPNHBUZSC-NHCUHLMSSA-N 2 2 335.451 3.192 20 30 EGEDLP COCc1cccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593693202 459954613 /nfs/dbraw/zinc/95/46/13/459954613.db2.gz SVGASUCAVVTXCZ-UHFFFAOYSA-N 2 2 349.478 3.459 20 30 EGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)c1cc2n(n1)CCC2 ZINC000593724263 459964376 /nfs/dbraw/zinc/96/43/76/459964376.db2.gz BTLVVSLRANZYMW-MRXNPFEDSA-N 2 2 349.482 3.016 20 30 EGEDLP CC1CC[NH+]([C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)c2cccs2)CC1 ZINC000598705108 460001173 /nfs/dbraw/zinc/00/11/73/460001173.db2.gz YUHOBYTXYZAUKG-DLBZAZTESA-N 2 2 349.544 3.411 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)CC1 ZINC000177905805 526453833 /nfs/dbraw/zinc/45/38/33/526453833.db2.gz LKYDVLVHTULUDS-OAHLLOKOSA-N 2 2 342.487 3.272 20 30 EGEDLP CCc1cccc(NC(=[NH2+])NC[C@H](C(CC)CC)[NH+]2CCOCC2)c1 ZINC000303771069 1296849004 /nfs/dbraw/zinc/84/90/04/1296849004.db2.gz CIDZBNBCXSZVOD-LJQANCHMSA-N 2 2 346.519 3.113 20 30 EGEDLP CC(C)c1cccc(NC(=[NH2+])NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000303783054 1296855907 /nfs/dbraw/zinc/85/59/07/1296855907.db2.gz NVEADUUGPXWADE-HOTGVXAUSA-N 2 2 346.519 3.424 20 30 EGEDLP Cc1ccc(NC(=[NH2+])NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc1C ZINC000303892666 1296871038 /nfs/dbraw/zinc/87/10/38/1296871038.db2.gz NWAGPSHBHZGCDD-SFHVURJKSA-N 2 2 328.435 3.472 20 30 EGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+]2CCC[C@H]2C)c1=S ZINC000751933252 1299656794 /nfs/dbraw/zinc/65/67/94/1299656794.db2.gz JFBDGCTYFMNVOL-MRXNPFEDSA-N 2 2 349.548 3.070 20 30 EGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+]2CCC[C@H]2C)c1=S ZINC000751933252 1299656805 /nfs/dbraw/zinc/65/68/05/1299656805.db2.gz JFBDGCTYFMNVOL-MRXNPFEDSA-N 2 2 349.548 3.070 20 30 EGEDLP C=CC[C@@H](C)[C@H](C)[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000764675561 1302116245 /nfs/dbraw/zinc/11/62/45/1302116245.db2.gz FRNAAQPHQMRCFV-MOPGFXCFSA-N 2 2 345.531 3.398 20 30 EGEDLP C=CCSc1nc2ccccc2n1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000767760692 1302758193 /nfs/dbraw/zinc/75/81/93/1302758193.db2.gz ZMRPWSGWTVMKNB-UHFFFAOYSA-N 2 2 341.484 3.491 20 30 EGEDLP C=CCSc1nc2ccccc2n1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000767760692 1302758200 /nfs/dbraw/zinc/75/82/00/1302758200.db2.gz ZMRPWSGWTVMKNB-UHFFFAOYSA-N 2 2 341.484 3.491 20 30 EGEDLP C#CC[N@H+](C)CCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000815652284 1319038234 /nfs/dbraw/zinc/03/82/34/1319038234.db2.gz WHURJBMDQBYSPA-HXUWFJFHSA-N 2 2 337.423 3.229 20 30 EGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000815652284 1319038243 /nfs/dbraw/zinc/03/82/43/1319038243.db2.gz WHURJBMDQBYSPA-HXUWFJFHSA-N 2 2 337.423 3.229 20 30 EGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000815652283 1319038275 /nfs/dbraw/zinc/03/82/75/1319038275.db2.gz WHURJBMDQBYSPA-FQEVSTJZSA-N 2 2 337.423 3.229 20 30 EGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000815652283 1319038286 /nfs/dbraw/zinc/03/82/86/1319038286.db2.gz WHURJBMDQBYSPA-FQEVSTJZSA-N 2 2 337.423 3.229 20 30 EGEDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000817941212 1319470373 /nfs/dbraw/zinc/47/03/73/1319470373.db2.gz JKKSGQCLQZEXCR-LEWJYISDSA-N 2 2 334.467 3.291 20 30 EGEDLP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@]2(COC)CCC[NH2+]2)cc1 ZINC000817974407 1319482922 /nfs/dbraw/zinc/48/29/22/1319482922.db2.gz LJLQSJNNKJOQMB-CRAIPNDOSA-N 2 2 338.879 3.237 20 30 EGEDLP C=CCOc1cccc(C[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000841040246 1321207190 /nfs/dbraw/zinc/20/71/90/1321207190.db2.gz JTKFRUIGPSHLDH-FQEVSTJZSA-N 2 2 325.456 3.107 20 30 EGEDLP C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000948932029 1333737614 /nfs/dbraw/zinc/73/76/14/1333737614.db2.gz DXABMWFGZIZYKK-FQEVSTJZSA-N 2 2 346.434 3.078 20 30 EGEDLP C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000948932029 1333737618 /nfs/dbraw/zinc/73/76/18/1333737618.db2.gz DXABMWFGZIZYKK-FQEVSTJZSA-N 2 2 346.434 3.078 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001045935461 1346773069 /nfs/dbraw/zinc/77/30/69/1346773069.db2.gz NBKXHPRORHYCKI-FQEVSTJZSA-N 2 2 344.503 3.013 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001045935461 1346773072 /nfs/dbraw/zinc/77/30/72/1346773072.db2.gz NBKXHPRORHYCKI-FQEVSTJZSA-N 2 2 344.503 3.013 20 30 EGEDLP CCCCCCC[NH2+]C[C@]1(C)CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001183271745 1387289048 /nfs/dbraw/zinc/28/90/48/1387289048.db2.gz PRWIDHHUJAVJOS-OXQOHEQNSA-N 2 2 348.535 3.305 20 30 EGEDLP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC001184273166 1387421938 /nfs/dbraw/zinc/42/19/38/1387421938.db2.gz JELNRQNUCSHDFT-ROUUACIJSA-N 2 2 346.519 3.163 20 30 EGEDLP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089657240 1360569159 /nfs/dbraw/zinc/56/91/59/1360569159.db2.gz BNKQOVUOHZCPSO-INIZCTEOSA-N 2 2 340.471 3.359 20 30 EGEDLP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089657240 1360569160 /nfs/dbraw/zinc/56/91/60/1360569160.db2.gz BNKQOVUOHZCPSO-INIZCTEOSA-N 2 2 340.471 3.359 20 30 EGEDLP CCCCCCC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001184532474 1387485553 /nfs/dbraw/zinc/48/55/53/1387485553.db2.gz AAKGKCKVXYGADQ-ZWKOTPCHSA-N 2 2 348.535 3.387 20 30 EGEDLP CCCCCCC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001184532474 1387485558 /nfs/dbraw/zinc/48/55/58/1387485558.db2.gz AAKGKCKVXYGADQ-ZWKOTPCHSA-N 2 2 348.535 3.387 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@]2(C)C1 ZINC001101444634 1364567213 /nfs/dbraw/zinc/56/72/13/1364567213.db2.gz FRVFNODDCUOXJN-XLIONFOSSA-N 2 2 346.519 3.011 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@]2(C)C1 ZINC001101444634 1364567216 /nfs/dbraw/zinc/56/72/16/1364567216.db2.gz FRVFNODDCUOXJN-XLIONFOSSA-N 2 2 346.519 3.011 20 30 EGEDLP CCCCCCC[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001185572398 1387753129 /nfs/dbraw/zinc/75/31/29/1387753129.db2.gz IURDHYIZIGUSMY-FUHWJXTLSA-N 2 2 348.535 3.305 20 30 EGEDLP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](CC(C)C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107445476 1366965952 /nfs/dbraw/zinc/96/59/52/1366965952.db2.gz ZYYDSOFJJRDZIK-NLWGTHIKSA-N 2 2 344.503 3.017 20 30 EGEDLP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](CC(C)C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107445476 1366965955 /nfs/dbraw/zinc/96/59/55/1366965955.db2.gz ZYYDSOFJJRDZIK-NLWGTHIKSA-N 2 2 344.503 3.017 20 30 EGEDLP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1[nH+]ccn1C)C2 ZINC001110845328 1368026162 /nfs/dbraw/zinc/02/61/62/1368026162.db2.gz ASQATMPJTFDDEX-KURKYZTESA-N 2 2 346.519 3.045 20 30 EGEDLP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1[nH+]ccn1C)C2 ZINC001110845328 1368026168 /nfs/dbraw/zinc/02/61/68/1368026168.db2.gz ASQATMPJTFDDEX-KURKYZTESA-N 2 2 346.519 3.045 20 30 EGEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001111496787 1368321184 /nfs/dbraw/zinc/32/11/84/1368321184.db2.gz DGMNWHQISHTXLP-QRVBRYPASA-N 2 2 344.503 3.131 20 30 EGEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001111496787 1368321189 /nfs/dbraw/zinc/32/11/89/1368321189.db2.gz DGMNWHQISHTXLP-QRVBRYPASA-N 2 2 344.503 3.131 20 30 EGEDLP C=CCCC[NH2+]C1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001203172163 1370009855 /nfs/dbraw/zinc/00/98/55/1370009855.db2.gz YMMUGHIIYRAQTP-UHFFFAOYSA-N 2 2 338.455 3.033 20 30 EGEDLP N#Cc1ccc2c(c1)C[N@@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)CC2 ZINC001208941960 1371956118 /nfs/dbraw/zinc/95/61/18/1371956118.db2.gz NXFLXPJAXFJPCY-HXUWFJFHSA-N 2 2 331.463 3.438 20 30 EGEDLP N#Cc1ccc2c(c1)C[N@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)CC2 ZINC001208941960 1371956123 /nfs/dbraw/zinc/95/61/23/1371956123.db2.gz NXFLXPJAXFJPCY-HXUWFJFHSA-N 2 2 331.463 3.438 20 30 EGEDLP N#Cc1ccc2c(c1)C[NH+](C[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208941960 1371956128 /nfs/dbraw/zinc/95/61/28/1371956128.db2.gz NXFLXPJAXFJPCY-HXUWFJFHSA-N 2 2 331.463 3.438 20 30 EGEDLP N#Cc1ccc2c(c1)C[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208941960 1371956130 /nfs/dbraw/zinc/95/61/30/1371956130.db2.gz NXFLXPJAXFJPCY-HXUWFJFHSA-N 2 2 331.463 3.438 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132025715 1375105476 /nfs/dbraw/zinc/10/54/76/1375105476.db2.gz UFZOFVGPZLYJST-IRXDYDNUSA-N 2 2 332.492 3.058 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132025715 1375105479 /nfs/dbraw/zinc/10/54/79/1375105479.db2.gz UFZOFVGPZLYJST-IRXDYDNUSA-N 2 2 332.492 3.058 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C ZINC001132444608 1375388276 /nfs/dbraw/zinc/38/82/76/1375388276.db2.gz CNWPYRDHQUYAIQ-RDJZCZTQSA-N 2 2 334.508 3.200 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C ZINC001132444608 1375388278 /nfs/dbraw/zinc/38/82/78/1375388278.db2.gz CNWPYRDHQUYAIQ-RDJZCZTQSA-N 2 2 334.508 3.200 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)CC[C@H]1C ZINC001132457444 1375400300 /nfs/dbraw/zinc/40/03/00/1375400300.db2.gz LBNACVRXRWOOPG-MSOLQXFVSA-N 2 2 346.519 3.068 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)CC[C@H]1C ZINC001132457444 1375400302 /nfs/dbraw/zinc/40/03/02/1375400302.db2.gz LBNACVRXRWOOPG-MSOLQXFVSA-N 2 2 346.519 3.068 20 30 EGEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC[C@H]1C ZINC001132992759 1375699102 /nfs/dbraw/zinc/69/91/02/1375699102.db2.gz MFRRGCPZWYJXTL-KDOFPFPSSA-N 2 2 329.488 3.271 20 30 EGEDLP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC001238084296 1376994650 /nfs/dbraw/zinc/99/46/50/1376994650.db2.gz GCUWRHYXLFLNED-UHFFFAOYSA-N 2 2 326.831 3.237 20 30 EGEDLP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135841189 1377229204 /nfs/dbraw/zinc/22/92/04/1377229204.db2.gz XHUXYQUBKDDVGL-IAGOWNOFSA-N 2 2 340.471 3.325 20 30 EGEDLP C=CCn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001139771242 1377949521 /nfs/dbraw/zinc/94/95/21/1377949521.db2.gz UJEOWFADBMFQDK-NHCUHLMSSA-N 2 2 336.483 3.023 20 30 EGEDLP C=CCn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001139771242 1377949524 /nfs/dbraw/zinc/94/95/24/1377949524.db2.gz UJEOWFADBMFQDK-NHCUHLMSSA-N 2 2 336.483 3.023 20 30 EGEDLP C=CCn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001139771242 1377949528 /nfs/dbraw/zinc/94/95/28/1377949528.db2.gz UJEOWFADBMFQDK-NHCUHLMSSA-N 2 2 336.483 3.023 20 30 EGEDLP C=CCn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001139771242 1377949532 /nfs/dbraw/zinc/94/95/32/1377949532.db2.gz UJEOWFADBMFQDK-NHCUHLMSSA-N 2 2 336.483 3.023 20 30 EGEDLP C=CCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146714209 1378906296 /nfs/dbraw/zinc/90/62/96/1378906296.db2.gz OLRLPNLGAKACOM-ROUUACIJSA-N 2 2 334.508 3.283 20 30 EGEDLP CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001155751632 1380489058 /nfs/dbraw/zinc/48/90/58/1380489058.db2.gz RNNHKDDMXJOPTN-DLBZAZTESA-N 2 2 336.524 3.385 20 30 EGEDLP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001155751632 1380489059 /nfs/dbraw/zinc/48/90/59/1380489059.db2.gz RNNHKDDMXJOPTN-DLBZAZTESA-N 2 2 336.524 3.385 20 30 EGEDLP CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001155751632 1380489060 /nfs/dbraw/zinc/48/90/60/1380489060.db2.gz RNNHKDDMXJOPTN-DLBZAZTESA-N 2 2 336.524 3.385 20 30 EGEDLP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001155751632 1380489061 /nfs/dbraw/zinc/48/90/61/1380489061.db2.gz RNNHKDDMXJOPTN-DLBZAZTESA-N 2 2 336.524 3.385 20 30 EGEDLP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001158949021 1381479421 /nfs/dbraw/zinc/47/94/21/1381479421.db2.gz FBHWRROETMXXOF-RTBURBONSA-N 2 2 346.519 3.331 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001158949021 1381479432 /nfs/dbraw/zinc/47/94/32/1381479432.db2.gz FBHWRROETMXXOF-RTBURBONSA-N 2 2 346.519 3.331 20 30 EGEDLP N#Cc1c[nH]c2cc[nH+]c(N3[C@H](C(F)(F)F)CCC34CC[NH2+]CC4)c12 ZINC001165306998 1383270387 /nfs/dbraw/zinc/27/03/87/1383270387.db2.gz VMUMEQHLVFNHOS-ZDUSSCGKSA-N 2 2 349.360 3.088 20 30 EGEDLP Cc1ccc(CC#N)c(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)[nH+]1 ZINC001165306224 1383270540 /nfs/dbraw/zinc/27/05/40/1383270540.db2.gz GCOUSDDPSDBCNX-AWEZNQCLSA-N 2 2 338.377 3.109 20 30 EGEDLP CCCCCCC[NH2+]CC1(CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001167426583 1383630727 /nfs/dbraw/zinc/63/07/27/1383630727.db2.gz UJDWUEHRMPJREV-QGZVFWFLSA-N 2 2 348.535 3.435 20 30 EGEDLP CCCCCCC[NH2+]CC1(CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001167426583 1383630728 /nfs/dbraw/zinc/63/07/28/1383630728.db2.gz UJDWUEHRMPJREV-QGZVFWFLSA-N 2 2 348.535 3.435 20 30 EGEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001170783731 1384384077 /nfs/dbraw/zinc/38/40/77/1384384077.db2.gz GDMZSRZJJSIVDB-OAHLLOKOSA-N 2 2 328.460 3.097 20 30 EGEDLP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001170786335 1384385347 /nfs/dbraw/zinc/38/53/47/1384385347.db2.gz RUMJLDPBPDDQHG-MRXNPFEDSA-N 2 2 342.487 3.487 20 30 EGEDLP CC(C)OCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001172434749 1384791102 /nfs/dbraw/zinc/79/11/02/1384791102.db2.gz SOCKMKZANYMEEF-KRWDZBQOSA-N 2 2 329.488 3.316 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CCCN(CC1CCCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001177431161 1385953464 /nfs/dbraw/zinc/95/34/64/1385953464.db2.gz NBIZLPAHCVCNOG-KRWDZBQOSA-N 2 2 346.519 3.305 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CCCN(CC1CCCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001177431162 1385953923 /nfs/dbraw/zinc/95/39/23/1385953923.db2.gz NBIZLPAHCVCNOG-QGZVFWFLSA-N 2 2 346.519 3.305 20 30 EGEDLP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001177436731 1385957023 /nfs/dbraw/zinc/95/70/23/1385957023.db2.gz INVLHDROALLRGB-KRWDZBQOSA-N 2 2 346.519 3.163 20 30 EGEDLP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001177436731 1385957026 /nfs/dbraw/zinc/95/70/26/1385957026.db2.gz INVLHDROALLRGB-KRWDZBQOSA-N 2 2 346.519 3.163 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001178752133 1386294187 /nfs/dbraw/zinc/29/41/87/1386294187.db2.gz HCZXKUNAUZUANW-GVDBMIGSSA-N 2 2 332.492 3.134 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001178752133 1386294191 /nfs/dbraw/zinc/29/41/91/1386294191.db2.gz HCZXKUNAUZUANW-GVDBMIGSSA-N 2 2 332.492 3.134 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001178863758 1386332236 /nfs/dbraw/zinc/33/22/36/1386332236.db2.gz AZNZSHHUOSVDNS-QZTJIDSGSA-N 2 2 346.519 3.066 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)CCCn1cc[nH+]c1 ZINC001180452628 1386801964 /nfs/dbraw/zinc/80/19/64/1386801964.db2.gz WRZXKAVTRJFWNE-GOSISDBHSA-N 2 2 334.508 3.284 20 30 EGEDLP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001181903605 1387073557 /nfs/dbraw/zinc/07/35/57/1387073557.db2.gz JSLONAXKPPOLSG-KZULUSFZSA-N 2 2 346.862 3.003 20 30 EGEDLP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001755183784 1440771964 /nfs/dbraw/zinc/77/19/64/1440771964.db2.gz RMIGBFMXOGIYBI-LJQANCHMSA-N 2 2 346.519 3.217 20 30 EGEDLP C=CC[N@H+](CC)CC1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001755183784 1440771965 /nfs/dbraw/zinc/77/19/65/1440771965.db2.gz RMIGBFMXOGIYBI-LJQANCHMSA-N 2 2 346.519 3.217 20 30 EGEDLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(C#N)cc1Br ZINC000181207218 529899130 /nfs/dbraw/zinc/89/91/30/529899130.db2.gz BRNQHEIIERYRPE-UHFFFAOYSA-N 2 2 333.233 3.039 20 30 EGEDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(C#N)cc1Br ZINC000181207218 529899132 /nfs/dbraw/zinc/89/91/32/529899132.db2.gz BRNQHEIIERYRPE-UHFFFAOYSA-N 2 2 333.233 3.039 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCO[C@@H](C4CC4)C3)CC2)cc1 ZINC000155116830 224361709 /nfs/dbraw/zinc/36/17/09/224361709.db2.gz PCQWJTDVCGUTFU-LEWJYISDSA-N 2 2 339.483 3.070 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(OC(F)F)c1 ZINC000437155045 270051533 /nfs/dbraw/zinc/05/15/33/270051533.db2.gz ZUQVGAWXLRTOGA-UHFFFAOYSA-N 2 2 332.354 3.193 20 30 EGEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)cc1 ZINC000289294762 276317448 /nfs/dbraw/zinc/31/74/48/276317448.db2.gz HMDWIFZLLKQRBL-LJQANCHMSA-N 2 2 348.450 3.207 20 30 EGEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)cc1 ZINC000289294762 276317449 /nfs/dbraw/zinc/31/74/49/276317449.db2.gz HMDWIFZLLKQRBL-LJQANCHMSA-N 2 2 348.450 3.207 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCc3[nH]c4ccc(OC)cc4c3C2)CC1 ZINC000123224860 454618141 /nfs/dbraw/zinc/61/81/41/454618141.db2.gz SQAYHOZCRXMJPZ-MRXNPFEDSA-N 2 2 339.483 3.274 20 30 EGEDLP C=CCOc1ccc(C[NH2+][C@H](C)CC[NH+]2CCOCC2)cc1Cl ZINC000124277183 454712378 /nfs/dbraw/zinc/71/23/78/454712378.db2.gz CMOXNGQVJUEENI-OAHLLOKOSA-N 2 2 338.879 3.105 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OC)c(OC)c2Cl)CC1 ZINC000107318067 454751487 /nfs/dbraw/zinc/75/14/87/454751487.db2.gz MPWUNZPAQNKCBX-UHFFFAOYSA-N 2 2 338.879 3.487 20 30 EGEDLP CC[NH+]1CCC([N@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000154284500 454881008 /nfs/dbraw/zinc/88/10/08/454881008.db2.gz WKNOMHOPKYYHOP-UHFFFAOYSA-N 2 2 340.389 3.353 20 30 EGEDLP CC[NH+]1CCC([N@@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000154284500 454881011 /nfs/dbraw/zinc/88/10/11/454881011.db2.gz WKNOMHOPKYYHOP-UHFFFAOYSA-N 2 2 340.389 3.353 20 30 EGEDLP C#CCCOc1ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000113323685 454922890 /nfs/dbraw/zinc/92/28/90/454922890.db2.gz NQOSFHZGBOLKGW-UHFFFAOYSA-N 2 2 349.478 3.238 20 30 EGEDLP FC(F)(F)Oc1ccc(C#CC[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000156440714 455118391 /nfs/dbraw/zinc/11/83/91/455118391.db2.gz NMWZJVVKXDAIBB-UHFFFAOYSA-N 2 2 349.356 3.470 20 30 EGEDLP C=CC[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC000180176490 455144964 /nfs/dbraw/zinc/14/49/64/455144964.db2.gz YLJXPRXQYRUFRP-AYHJJNSGSA-N 2 2 349.519 3.157 20 30 EGEDLP Cc1cc(C#N)ccc1C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000186252106 455726314 /nfs/dbraw/zinc/72/63/14/455726314.db2.gz NUNYYBNLXRJQIF-UHFFFAOYSA-N 2 2 348.494 3.401 20 30 EGEDLP Cc1cc(C#N)ccc1C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000186252106 455726316 /nfs/dbraw/zinc/72/63/16/455726316.db2.gz NUNYYBNLXRJQIF-UHFFFAOYSA-N 2 2 348.494 3.401 20 30 EGEDLP N#CC1CC[NH+](Cc2ccc(F)c(C[NH+]3CCC(C#N)CC3)c2)CC1 ZINC000297280931 456170768 /nfs/dbraw/zinc/17/07/68/456170768.db2.gz XJOMRFKFRDFAIC-UHFFFAOYSA-N 2 2 340.446 3.297 20 30 EGEDLP Cc1nc(N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c2c([nH+]1)CCCC2 ZINC000302067339 456279076 /nfs/dbraw/zinc/27/90/76/456279076.db2.gz DESRCHRFOJKZQE-UHFFFAOYSA-N 2 2 349.482 3.104 20 30 EGEDLP N#Cc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC000348318312 456619282 /nfs/dbraw/zinc/61/92/82/456619282.db2.gz LOPFWMUHSICWIO-BGYRXZFFSA-N 2 2 335.426 3.261 20 30 EGEDLP N#Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC000348318312 456619290 /nfs/dbraw/zinc/61/92/90/456619290.db2.gz LOPFWMUHSICWIO-BGYRXZFFSA-N 2 2 335.426 3.261 20 30 EGEDLP N#Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC000348318312 456619296 /nfs/dbraw/zinc/61/92/96/456619296.db2.gz LOPFWMUHSICWIO-BGYRXZFFSA-N 2 2 335.426 3.261 20 30 EGEDLP N#Cc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC000348318312 456619300 /nfs/dbraw/zinc/61/93/00/456619300.db2.gz LOPFWMUHSICWIO-BGYRXZFFSA-N 2 2 335.426 3.261 20 30 EGEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000328907505 456787818 /nfs/dbraw/zinc/78/78/18/456787818.db2.gz CEYFENKWSZZVAC-NXHRZFHOSA-N 2 2 338.455 3.238 20 30 EGEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000328907505 456787824 /nfs/dbraw/zinc/78/78/24/456787824.db2.gz CEYFENKWSZZVAC-NXHRZFHOSA-N 2 2 338.455 3.238 20 30 EGEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361058460 457553149 /nfs/dbraw/zinc/55/31/49/457553149.db2.gz QDLDRSFQIZETMR-GOSISDBHSA-N 2 2 346.519 3.188 20 30 EGEDLP C[C@H]1C[NH+](CC2CC[NH+](Cc3cccc(F)c3C#N)CC2)C[C@H](C)O1 ZINC000428240388 458104033 /nfs/dbraw/zinc/10/40/33/458104033.db2.gz IPLAYXPAEBNQLE-HOTGVXAUSA-N 2 2 345.462 3.019 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[N@@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000435628433 458175914 /nfs/dbraw/zinc/17/59/14/458175914.db2.gz QTKLRPHDXAUCIY-INIZCTEOSA-N 2 2 347.528 3.367 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[N@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000435628433 458175921 /nfs/dbraw/zinc/17/59/21/458175921.db2.gz QTKLRPHDXAUCIY-INIZCTEOSA-N 2 2 347.528 3.367 20 30 EGEDLP C[C@@H]([NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000423562938 458458010 /nfs/dbraw/zinc/45/80/10/458458010.db2.gz KKMAZDORZVIKCP-GOSISDBHSA-N 3 2 348.494 3.202 20 30 EGEDLP N#CCCC1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000581605708 459275216 /nfs/dbraw/zinc/27/52/16/459275216.db2.gz UIFJMZXCJLQNDK-UHFFFAOYSA-N 2 2 327.472 3.035 20 30 EGEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CCC(CCC#N)CC3)c2cc1C ZINC000573320997 459659084 /nfs/dbraw/zinc/65/90/84/459659084.db2.gz XDWFKYXHYUMPFW-SFHVURJKSA-N 2 2 340.471 3.030 20 30 EGEDLP CO[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593693358 459954840 /nfs/dbraw/zinc/95/48/40/459954840.db2.gz VWSFBCGHAGFRQM-PMACEKPBSA-N 2 2 327.472 3.070 20 30 EGEDLP C[C@@H](Cc1ccc(O)cc1)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593695320 459956650 /nfs/dbraw/zinc/95/66/50/459956650.db2.gz KUJQHAGKVOHBOO-KRWDZBQOSA-N 2 2 349.478 3.449 20 30 EGEDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598597860 459957281 /nfs/dbraw/zinc/95/72/81/459957281.db2.gz VMBNVHBHUCJIOD-IAGOWNOFSA-N 2 2 340.471 3.110 20 30 EGEDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598597860 459957285 /nfs/dbraw/zinc/95/72/85/459957285.db2.gz VMBNVHBHUCJIOD-IAGOWNOFSA-N 2 2 340.471 3.110 20 30 EGEDLP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(C#N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000602478173 459957744 /nfs/dbraw/zinc/95/77/44/459957744.db2.gz ZXJZEEKEGJTNIO-DYESRHJHSA-N 2 2 334.467 3.438 20 30 EGEDLP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(C#N)n2)CC[N@H+]1Cc1ccccc1 ZINC000602478173 459957750 /nfs/dbraw/zinc/95/77/50/459957750.db2.gz ZXJZEEKEGJTNIO-DYESRHJHSA-N 2 2 334.467 3.438 20 30 EGEDLP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(C#N)n2)CC[NH+]1Cc1ccccc1 ZINC000602478173 459957756 /nfs/dbraw/zinc/95/77/56/459957756.db2.gz ZXJZEEKEGJTNIO-DYESRHJHSA-N 2 2 334.467 3.438 20 30 EGEDLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(C#N)n2)CC[NH+]1Cc1ccccc1 ZINC000602478173 459957765 /nfs/dbraw/zinc/95/77/65/459957765.db2.gz ZXJZEEKEGJTNIO-DYESRHJHSA-N 2 2 334.467 3.438 20 30 EGEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000602520136 459979302 /nfs/dbraw/zinc/97/93/02/459979302.db2.gz FJDXIPZBHLMWFP-HNNXBMFYSA-N 2 2 342.418 3.200 20 30 EGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000602546266 459992847 /nfs/dbraw/zinc/99/28/47/459992847.db2.gz INRZRSTWLWMYTA-UYAOXDASSA-N 2 2 341.499 3.340 20 30 EGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000602546266 459992853 /nfs/dbraw/zinc/99/28/53/459992853.db2.gz INRZRSTWLWMYTA-UYAOXDASSA-N 2 2 341.499 3.340 20 30 EGEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000602546262 459992929 /nfs/dbraw/zinc/99/29/29/459992929.db2.gz INRZRSTWLWMYTA-ICSRJNTNSA-N 2 2 341.499 3.340 20 30 EGEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000602546262 459992936 /nfs/dbraw/zinc/99/29/36/459992936.db2.gz INRZRSTWLWMYTA-ICSRJNTNSA-N 2 2 341.499 3.340 20 30 EGEDLP C[C@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000602553133 459993675 /nfs/dbraw/zinc/99/36/75/459993675.db2.gz VOQBAWFRFXATIK-ZWKOTPCHSA-N 2 2 329.488 3.195 20 30 EGEDLP C[C@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000602553133 459993680 /nfs/dbraw/zinc/99/36/80/459993680.db2.gz VOQBAWFRFXATIK-ZWKOTPCHSA-N 2 2 329.488 3.195 20 30 EGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000602561993 459997037 /nfs/dbraw/zinc/99/70/37/459997037.db2.gz UNNZPULFKOBDJO-UYAOXDASSA-N 2 2 341.499 3.340 20 30 EGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000602561993 459997043 /nfs/dbraw/zinc/99/70/43/459997043.db2.gz UNNZPULFKOBDJO-UYAOXDASSA-N 2 2 341.499 3.340 20 30 EGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000602615444 460023894 /nfs/dbraw/zinc/02/38/94/460023894.db2.gz CPCSMAKCAMUPLG-QWFCFKBJSA-N 2 2 341.499 3.195 20 30 EGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000602615444 460023899 /nfs/dbraw/zinc/02/38/99/460023899.db2.gz CPCSMAKCAMUPLG-QWFCFKBJSA-N 2 2 341.499 3.195 20 30 EGEDLP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC000602639603 460037089 /nfs/dbraw/zinc/03/70/89/460037089.db2.gz WQSRIYASZZYRID-UHFFFAOYSA-N 2 2 331.423 3.449 20 30 EGEDLP CO[C@@H](C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CCCC1 ZINC000602703762 460074401 /nfs/dbraw/zinc/07/44/01/460074401.db2.gz DJHGXCFIIZVCMR-NRFANRHFSA-N 2 2 341.499 3.317 20 30 EGEDLP C=CCOc1c(Cl)cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1OC ZINC000623356201 460507673 /nfs/dbraw/zinc/50/76/73/460507673.db2.gz CKRSQQDAHWLEED-CYBMUJFWSA-N 2 2 335.835 3.288 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652354352 461148772 /nfs/dbraw/zinc/14/87/72/461148772.db2.gz URLFNSDYHZAIJA-RDJZCZTQSA-N 2 2 347.528 3.353 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652354352 461148780 /nfs/dbraw/zinc/14/87/80/461148780.db2.gz URLFNSDYHZAIJA-RDJZCZTQSA-N 2 2 347.528 3.353 20 30 EGEDLP C=C(Br)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000125079256 1293494682 /nfs/dbraw/zinc/49/46/82/1293494682.db2.gz VZPGGRUKOWIIGY-UHFFFAOYSA-N 2 2 341.268 3.331 20 30 EGEDLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCC[C@@H](C#N)C3)CC2)cc1 ZINC000192904647 1295812218 /nfs/dbraw/zinc/81/22/18/1295812218.db2.gz CFHRIQPJORZZBC-AEFFLSMTSA-N 2 2 326.488 3.393 20 30 EGEDLP [NH2+]=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCCCC1 ZINC000303900870 1296875242 /nfs/dbraw/zinc/87/52/42/1296875242.db2.gz SKMPPYAEVSLBFD-KRWDZBQOSA-N 2 2 334.895 3.278 20 30 EGEDLP Cc1ccc(NC(=[NH2+])NCC[N@@H+](C)Cc2ccc(F)cc2)cc1C ZINC000304751604 1296938933 /nfs/dbraw/zinc/93/89/33/1296938933.db2.gz XNGAZDULRKQTBY-UHFFFAOYSA-N 2 2 328.435 3.301 20 30 EGEDLP Cc1ccc(NC(=[NH2+])NCC[N@H+](C)Cc2ccc(F)cc2)cc1C ZINC000304751604 1296938945 /nfs/dbraw/zinc/93/89/45/1296938945.db2.gz XNGAZDULRKQTBY-UHFFFAOYSA-N 2 2 328.435 3.301 20 30 EGEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)nc1 ZINC000877458950 1299315206 /nfs/dbraw/zinc/31/52/06/1299315206.db2.gz DNXMZBGGRBMKLX-NQIIRXRSSA-N 2 2 332.451 3.411 20 30 EGEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)nc1 ZINC000877458950 1299315216 /nfs/dbraw/zinc/31/52/16/1299315216.db2.gz DNXMZBGGRBMKLX-NQIIRXRSSA-N 2 2 332.451 3.411 20 30 EGEDLP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)CC1 ZINC000957614414 1317496818 /nfs/dbraw/zinc/49/68/18/1317496818.db2.gz GZSCNURLLQZXAP-GOSISDBHSA-N 2 2 344.503 3.115 20 30 EGEDLP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000902741265 1317611311 /nfs/dbraw/zinc/61/13/11/1317611311.db2.gz PIVAPJBDXBIUIX-YADHBBJMSA-N 2 2 349.478 3.018 20 30 EGEDLP CC[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000902741265 1317611316 /nfs/dbraw/zinc/61/13/16/1317611316.db2.gz PIVAPJBDXBIUIX-YADHBBJMSA-N 2 2 349.478 3.018 20 30 EGEDLP C=C[C@H](CC)CC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000935081236 1330027378 /nfs/dbraw/zinc/02/73/78/1330027378.db2.gz YOLUBXDEAVPXHK-RLLQIKCJSA-N 2 2 349.563 3.384 20 30 EGEDLP C=C[C@H](CC)CC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000935081236 1330027380 /nfs/dbraw/zinc/02/73/80/1330027380.db2.gz YOLUBXDEAVPXHK-RLLQIKCJSA-N 2 2 349.563 3.384 20 30 EGEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000940839201 1331214087 /nfs/dbraw/zinc/21/40/87/1331214087.db2.gz MDTLLJAUSOEKAU-INIZCTEOSA-N 2 2 346.862 3.146 20 30 EGEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000940839201 1331214089 /nfs/dbraw/zinc/21/40/89/1331214089.db2.gz MDTLLJAUSOEKAU-INIZCTEOSA-N 2 2 346.862 3.146 20 30 EGEDLP C=C(Cl)C[N@H+]1CCC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948554665 1333573304 /nfs/dbraw/zinc/57/33/04/1333573304.db2.gz ZDWGRLXGIQTUFT-HNNXBMFYSA-N 2 2 346.862 3.242 20 30 EGEDLP C=C(Cl)C[N@@H+]1CCC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948554665 1333573307 /nfs/dbraw/zinc/57/33/07/1333573307.db2.gz ZDWGRLXGIQTUFT-HNNXBMFYSA-N 2 2 346.862 3.242 20 30 EGEDLP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000969101046 1336143399 /nfs/dbraw/zinc/14/33/99/1336143399.db2.gz OTGWKMZJJGXHRX-IBGZPJMESA-N 2 2 338.455 3.033 20 30 EGEDLP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000969101046 1336143403 /nfs/dbraw/zinc/14/34/03/1336143403.db2.gz OTGWKMZJJGXHRX-IBGZPJMESA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC001040868830 1345590648 /nfs/dbraw/zinc/59/06/48/1345590648.db2.gz ZEKVGRIHRKVZEZ-SFHVURJKSA-N 2 2 344.503 3.115 20 30 EGEDLP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001054153879 1349157016 /nfs/dbraw/zinc/15/70/16/1349157016.db2.gz MDWLSAJBUUJXJF-HXUWFJFHSA-N 2 2 338.455 3.067 20 30 EGEDLP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001054153879 1349157019 /nfs/dbraw/zinc/15/70/19/1349157019.db2.gz MDWLSAJBUUJXJF-HXUWFJFHSA-N 2 2 338.455 3.067 20 30 EGEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@@H]1C ZINC001071510640 1354734834 /nfs/dbraw/zinc/73/48/34/1354734834.db2.gz DGQACPRRFVBLFQ-YJBOKZPZSA-N 2 2 340.471 3.192 20 30 EGEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@@H]1C ZINC001071510640 1354734843 /nfs/dbraw/zinc/73/48/43/1354734843.db2.gz DGQACPRRFVBLFQ-YJBOKZPZSA-N 2 2 340.471 3.192 20 30 EGEDLP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001089693853 1360599280 /nfs/dbraw/zinc/59/92/80/1360599280.db2.gz PVOSXVGAJXWSIU-JKSUJKDBSA-N 2 2 344.503 3.013 20 30 EGEDLP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001089693853 1360599283 /nfs/dbraw/zinc/59/92/83/1360599283.db2.gz PVOSXVGAJXWSIU-JKSUJKDBSA-N 2 2 344.503 3.013 20 30 EGEDLP CCCCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099357942 1363770647 /nfs/dbraw/zinc/77/06/47/1363770647.db2.gz CLHLYAODFSNWNA-SFHVURJKSA-N 2 2 348.535 3.460 20 30 EGEDLP CCCCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099357942 1363770650 /nfs/dbraw/zinc/77/06/50/1363770650.db2.gz CLHLYAODFSNWNA-SFHVURJKSA-N 2 2 348.535 3.460 20 30 EGEDLP C=C(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001101559964 1364619632 /nfs/dbraw/zinc/61/96/32/1364619632.db2.gz CUQZRXXHBBJBFL-UHFFFAOYSA-N 2 2 346.519 3.094 20 30 EGEDLP C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001101581160 1364633648 /nfs/dbraw/zinc/63/36/48/1364633648.db2.gz LDGNJJAIYIFZLA-INIZCTEOSA-N 2 2 346.519 3.019 20 30 EGEDLP C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001101581160 1364633654 /nfs/dbraw/zinc/63/36/54/1364633654.db2.gz LDGNJJAIYIFZLA-INIZCTEOSA-N 2 2 346.519 3.019 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102060799 1364828849 /nfs/dbraw/zinc/82/88/49/1364828849.db2.gz QZIACBPOZAGGKK-BRSBDYLESA-N 2 2 346.519 3.168 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102060799 1364828852 /nfs/dbraw/zinc/82/88/52/1364828852.db2.gz QZIACBPOZAGGKK-BRSBDYLESA-N 2 2 346.519 3.168 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102060799 1364828855 /nfs/dbraw/zinc/82/88/55/1364828855.db2.gz QZIACBPOZAGGKK-BRSBDYLESA-N 2 2 346.519 3.168 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102060799 1364828858 /nfs/dbraw/zinc/82/88/58/1364828858.db2.gz QZIACBPOZAGGKK-BRSBDYLESA-N 2 2 346.519 3.168 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102540752 1365106105 /nfs/dbraw/zinc/10/61/05/1365106105.db2.gz WLUXVBARWVOVHL-QZTJIDSGSA-N 2 2 348.535 3.007 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102540752 1365106107 /nfs/dbraw/zinc/10/61/07/1365106107.db2.gz WLUXVBARWVOVHL-QZTJIDSGSA-N 2 2 348.535 3.007 20 30 EGEDLP CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001185504859 1387734700 /nfs/dbraw/zinc/73/47/00/1387734700.db2.gz XOMCSHWHWAZEKS-ROUUACIJSA-N 2 2 348.535 3.007 20 30 EGEDLP C=CCC[NH2+]CC[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001104435912 1366028184 /nfs/dbraw/zinc/02/81/84/1366028184.db2.gz NENXVFRSYBPYAX-CRAIPNDOSA-N 2 2 329.488 3.271 20 30 EGEDLP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001108711950 1367550252 /nfs/dbraw/zinc/55/02/52/1367550252.db2.gz XKYGWPMTQPITSS-XIRDDKMYSA-N 2 2 338.455 3.112 20 30 EGEDLP CCCCCCC[NH+]1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001113263039 1369299749 /nfs/dbraw/zinc/29/97/49/1369299749.db2.gz DUEUFZMQWXHUIT-UHFFFAOYSA-N 2 2 335.492 3.069 20 30 EGEDLP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C12CCC2 ZINC001203659795 1370205514 /nfs/dbraw/zinc/20/55/14/1370205514.db2.gz KZRHKQBJGARWCL-ZWKOTPCHSA-N 2 2 344.503 3.024 20 30 EGEDLP C=CCCCCC[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCCCC1 ZINC001115790749 1370772606 /nfs/dbraw/zinc/77/26/06/1370772606.db2.gz ZAPXSVDAJLJELO-UHFFFAOYSA-N 2 2 332.492 3.107 20 30 EGEDLP N#Cc1ccc(Oc2ccc(C[N@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)cn2)cc1 ZINC001206172553 1370979824 /nfs/dbraw/zinc/97/98/24/1370979824.db2.gz AQCXVPGVDMVOKP-QZTJIDSGSA-N 2 2 340.402 3.007 20 30 EGEDLP N#Cc1ccc(Oc2ccc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)cn2)cc1 ZINC001206172553 1370979827 /nfs/dbraw/zinc/97/98/27/1370979827.db2.gz AQCXVPGVDMVOKP-QZTJIDSGSA-N 2 2 340.402 3.007 20 30 EGEDLP N#Cc1ccc(O)c(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001232678927 1376500621 /nfs/dbraw/zinc/50/06/21/1376500621.db2.gz VDTGZWKGTDDTJD-JOCHJYFZSA-N 2 2 347.462 3.362 20 30 EGEDLP N#Cc1ccc(O)c(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001232678927 1376500625 /nfs/dbraw/zinc/50/06/25/1376500625.db2.gz VDTGZWKGTDDTJD-JOCHJYFZSA-N 2 2 347.462 3.362 20 30 EGEDLP N#Cc1ccc(O)c(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC001232678927 1376500629 /nfs/dbraw/zinc/50/06/29/1376500629.db2.gz VDTGZWKGTDDTJD-JOCHJYFZSA-N 2 2 347.462 3.362 20 30 EGEDLP N#Cc1ccc(O)c(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC001232678927 1376500631 /nfs/dbraw/zinc/50/06/31/1376500631.db2.gz VDTGZWKGTDDTJD-JOCHJYFZSA-N 2 2 347.462 3.362 20 30 EGEDLP CCCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001134732979 1376684154 /nfs/dbraw/zinc/68/41/54/1376684154.db2.gz RQFFIJARJAJPPM-SJORKVTESA-N 2 2 349.519 3.476 20 30 EGEDLP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135096891 1376893766 /nfs/dbraw/zinc/89/37/66/1376893766.db2.gz CSCSRJCAPSBVQN-CABCVRRESA-N 2 2 346.862 3.111 20 30 EGEDLP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001135680446 1377182254 /nfs/dbraw/zinc/18/22/54/1377182254.db2.gz WCRTXEWYLVAMDQ-DLBZAZTESA-N 2 2 342.487 3.024 20 30 EGEDLP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135840103 1377228440 /nfs/dbraw/zinc/22/84/40/1377228440.db2.gz CIPFPDKDTAOTAB-LSDHHAIUSA-N 2 2 346.862 3.111 20 30 EGEDLP CCCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001136056789 1377317031 /nfs/dbraw/zinc/31/70/31/1377317031.db2.gz VDBBGWIGCDSNDS-IRXDYDNUSA-N 2 2 336.524 3.196 20 30 EGEDLP N#Cc1ccnc(-c2ccc(C[NH+]3CCC([NH+]4CCC4)CC3)cc2)c1 ZINC001139404348 1377878898 /nfs/dbraw/zinc/87/88/98/1377878898.db2.gz BMPRLKXLWIPQIK-UHFFFAOYSA-N 2 2 332.451 3.290 20 30 EGEDLP Cn1cc(C[N@@H+]2CCC[C@]3(CCC[NH+](CCCCF)C3)C2)cc1C#N ZINC001278205347 1378262269 /nfs/dbraw/zinc/26/22/69/1378262269.db2.gz JDEAVYRQUUYTGZ-FQEVSTJZSA-N 2 2 346.494 3.324 20 30 EGEDLP Cn1cc(C[N@H+]2CCC[C@]3(CCC[NH+](CCCCF)C3)C2)cc1C#N ZINC001278205347 1378262277 /nfs/dbraw/zinc/26/22/77/1378262277.db2.gz JDEAVYRQUUYTGZ-FQEVSTJZSA-N 2 2 346.494 3.324 20 30 EGEDLP Cn1cc(C[NH+]2CCC[C@]3(CCC[N@H+](CCCCF)C3)C2)cc1C#N ZINC001278205347 1378262279 /nfs/dbraw/zinc/26/22/79/1378262279.db2.gz JDEAVYRQUUYTGZ-FQEVSTJZSA-N 2 2 346.494 3.324 20 30 EGEDLP Cn1cc(C[NH+]2CCC[C@]3(CCC[N@@H+](CCCCF)C3)C2)cc1C#N ZINC001278205347 1378262283 /nfs/dbraw/zinc/26/22/83/1378262283.db2.gz JDEAVYRQUUYTGZ-FQEVSTJZSA-N 2 2 346.494 3.324 20 30 EGEDLP CCCc1cc(C#N)c(-n2c[nH+]cc2C2CC[NH2+]CC2)nc1Cl ZINC001155058012 1380400289 /nfs/dbraw/zinc/40/02/89/1380400289.db2.gz QVEKXHJJOGZHQT-UHFFFAOYSA-N 2 2 329.835 3.212 20 30 EGEDLP N#Cc1ccc2cc[nH+]c(NCC[C@H]3C[NH2+]Cc4cccn4C3)c2c1 ZINC001155454006 1380455703 /nfs/dbraw/zinc/45/57/03/1380455703.db2.gz RSVWAMSSOICCIA-INIZCTEOSA-N 2 2 331.423 3.130 20 30 EGEDLP C=CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001157880300 1381057403 /nfs/dbraw/zinc/05/74/03/1381057403.db2.gz JMOPRJWSUFVIDK-GOSISDBHSA-N 2 2 346.519 3.402 20 30 EGEDLP C=CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001157880300 1381057410 /nfs/dbraw/zinc/05/74/10/1381057410.db2.gz JMOPRJWSUFVIDK-GOSISDBHSA-N 2 2 346.519 3.402 20 30 EGEDLP N#CC1(c2cc[nH+]c(NCc3cccnc3C3CC[NH2+]CC3)c2)CC1 ZINC001163908462 1383134974 /nfs/dbraw/zinc/13/49/74/1383134974.db2.gz IUVMVEOWCKDJOX-UHFFFAOYSA-N 2 2 333.439 3.111 20 30 EGEDLP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001170785430 1384384570 /nfs/dbraw/zinc/38/45/70/1384384570.db2.gz MEAKMLUZESEEJF-MRXNPFEDSA-N 2 2 342.487 3.487 20 30 EGEDLP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001171605407 1384577209 /nfs/dbraw/zinc/57/72/09/1384577209.db2.gz NHUUZORTJVXQJS-NVXWUHKLSA-N 2 2 346.519 3.054 20 30 EGEDLP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001171605407 1384577210 /nfs/dbraw/zinc/57/72/10/1384577210.db2.gz NHUUZORTJVXQJS-NVXWUHKLSA-N 2 2 346.519 3.054 20 30 EGEDLP C=CCC[NH2+]CCCCCCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001178770716 1386298085 /nfs/dbraw/zinc/29/80/85/1386298085.db2.gz OQNASNWIQNMAKA-SFHVURJKSA-N 2 2 334.508 3.313 20 30 EGEDLP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1C ZINC001178932223 1386352952 /nfs/dbraw/zinc/35/29/52/1386352952.db2.gz GNJXVFLHQFGHMO-HZMVEIRTSA-N 2 2 332.492 3.063 20 30 EGEDLP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]1C ZINC001178932223 1386352960 /nfs/dbraw/zinc/35/29/60/1386352960.db2.gz GNJXVFLHQFGHMO-HZMVEIRTSA-N 2 2 332.492 3.063 20 30 EGEDLP C=CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001752142203 1440144779 /nfs/dbraw/zinc/14/47/79/1440144779.db2.gz HGZUHMBKZOJRQY-KDOFPFPSSA-N 2 2 326.444 3.112 20 30 EGEDLP C=CCC[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753102525 1440304658 /nfs/dbraw/zinc/30/46/58/1440304658.db2.gz APDASCVQDQFKDM-GOEBONIOSA-N 2 2 326.444 3.112 20 30 EGEDLP C=CCC[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753102525 1440304659 /nfs/dbraw/zinc/30/46/59/1440304659.db2.gz APDASCVQDQFKDM-GOEBONIOSA-N 2 2 326.444 3.112 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1[nH]c[nH+]c1C ZINC001754547102 1440628106 /nfs/dbraw/zinc/62/81/06/1440628106.db2.gz OXXLOIRCYVLJCR-CCNLRDMRSA-N 2 2 344.503 3.117 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H]3OC(F)F)CC2)cc1 ZINC000337528599 154398842 /nfs/dbraw/zinc/39/88/42/154398842.db2.gz BYYLPWZPSPBXBA-QZTJIDSGSA-N 2 2 349.425 3.273 20 30 EGEDLP C[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)Cc1ccc(C#N)cc1 ZINC000352102418 165236858 /nfs/dbraw/zinc/23/68/58/165236858.db2.gz NMNIONYNQYADCL-UHFFFAOYSA-N 2 2 348.494 3.202 20 30 EGEDLP C[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)Cc1ccc(C#N)cc1 ZINC000352102418 165236860 /nfs/dbraw/zinc/23/68/60/165236860.db2.gz NMNIONYNQYADCL-UHFFFAOYSA-N 2 2 348.494 3.202 20 30 EGEDLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3ccc(C#N)o3)cc2)C[C@H](C)O1 ZINC000174257357 267053849 /nfs/dbraw/zinc/05/38/49/267053849.db2.gz FYFDDSJXZRLLBR-IYBDPMFKSA-N 2 2 339.439 3.050 20 30 EGEDLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459408187 267059441 /nfs/dbraw/zinc/05/94/41/267059441.db2.gz MTWCXEYORSJRCR-SJLPKXTDSA-N 2 2 344.459 3.457 20 30 EGEDLP N#Cc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(OC(F)F)c1 ZINC000437875124 268222540 /nfs/dbraw/zinc/22/25/40/268222540.db2.gz VDUGIFLJJSIIKP-MRXNPFEDSA-N 2 2 349.425 3.467 20 30 EGEDLP N#Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(OC(F)F)c1 ZINC000437875124 268222543 /nfs/dbraw/zinc/22/25/43/268222543.db2.gz VDUGIFLJJSIIKP-MRXNPFEDSA-N 2 2 349.425 3.467 20 30 EGEDLP Cc1ccccc1[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000540594953 314390745 /nfs/dbraw/zinc/39/07/45/314390745.db2.gz KZQVVSJQSCOIEK-JOCHJYFZSA-N 2 2 349.478 3.154 20 30 EGEDLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H]3CCc4ccc(C#N)cc43)[nH+]c2)C1 ZINC000570556066 317072565 /nfs/dbraw/zinc/07/25/65/317072565.db2.gz ODGKVJPNGWHATQ-AZUAARDMSA-N 2 2 347.466 3.193 20 30 EGEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2C#N)[C@H](C)C1 ZINC000189993927 455268440 /nfs/dbraw/zinc/26/84/40/455268440.db2.gz BNXPTCQAMLBEGO-DNVCBOLYSA-N 2 2 349.906 3.438 20 30 EGEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2C#N)[C@H](C)C1 ZINC000189993927 455268444 /nfs/dbraw/zinc/26/84/44/455268444.db2.gz BNXPTCQAMLBEGO-DNVCBOLYSA-N 2 2 349.906 3.438 20 30 EGEDLP C[C@@H]1CC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000182100230 455435942 /nfs/dbraw/zinc/43/59/42/455435942.db2.gz VNAYOCBZUMFTKV-HZPDHXFCSA-N 2 2 327.472 3.068 20 30 EGEDLP N#CC[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CCCC1 ZINC000093563436 454720917 /nfs/dbraw/zinc/72/09/17/454720917.db2.gz TVXSMBIJNKDCOO-UHFFFAOYSA-N 2 2 327.472 3.429 20 30 EGEDLP N#CC[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CCCC1 ZINC000093563436 454720921 /nfs/dbraw/zinc/72/09/21/454720921.db2.gz TVXSMBIJNKDCOO-UHFFFAOYSA-N 2 2 327.472 3.429 20 30 EGEDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000093770626 454734596 /nfs/dbraw/zinc/73/45/96/454734596.db2.gz QFHTUIFVBWCJKG-GOSISDBHSA-N 2 2 345.487 3.151 20 30 EGEDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000093770626 454734598 /nfs/dbraw/zinc/73/45/98/454734598.db2.gz QFHTUIFVBWCJKG-GOSISDBHSA-N 2 2 345.487 3.151 20 30 EGEDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000093770626 454734600 /nfs/dbraw/zinc/73/46/00/454734600.db2.gz QFHTUIFVBWCJKG-GOSISDBHSA-N 2 2 345.487 3.151 20 30 EGEDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000093770626 454734603 /nfs/dbraw/zinc/73/46/03/454734603.db2.gz QFHTUIFVBWCJKG-GOSISDBHSA-N 2 2 345.487 3.151 20 30 EGEDLP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1OCCCC#N ZINC000151103283 454938192 /nfs/dbraw/zinc/93/81/92/454938192.db2.gz VMYWISCWYZCWJC-DOTOQJQBSA-N 2 2 343.471 3.093 20 30 EGEDLP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1OCCCC#N ZINC000151103283 454938196 /nfs/dbraw/zinc/93/81/96/454938196.db2.gz VMYWISCWYZCWJC-DOTOQJQBSA-N 2 2 343.471 3.093 20 30 EGEDLP COc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1OCCCC#N ZINC000151103145 454938423 /nfs/dbraw/zinc/93/84/23/454938423.db2.gz VMYWISCWYZCWJC-WBVHZDCISA-N 2 2 343.471 3.093 20 30 EGEDLP COc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1OCCCC#N ZINC000151103145 454938428 /nfs/dbraw/zinc/93/84/28/454938428.db2.gz VMYWISCWYZCWJC-WBVHZDCISA-N 2 2 343.471 3.093 20 30 EGEDLP CC(C)OCC[NH+]1CCC([NH2+]C2CC(C#N)(c3ccccc3)C2)CC1 ZINC000127504668 454971237 /nfs/dbraw/zinc/97/12/37/454971237.db2.gz FMRBDPBQOLMADJ-UHFFFAOYSA-N 2 2 341.499 3.089 20 30 EGEDLP C[N@@H+](Cc1ccc(C#N)cc1Br)C[C@H]1CCC[NH+](C)C1 ZINC000181119243 455290936 /nfs/dbraw/zinc/29/09/36/455290936.db2.gz SCXQFHHSLLLGMH-AWEZNQCLSA-N 2 2 336.277 3.094 20 30 EGEDLP C[N@H+](Cc1ccc(C#N)cc1Br)C[C@H]1CCC[NH+](C)C1 ZINC000181119243 455290939 /nfs/dbraw/zinc/29/09/39/455290939.db2.gz SCXQFHHSLLLGMH-AWEZNQCLSA-N 2 2 336.277 3.094 20 30 EGEDLP C[NH+](Cc1ccc(C#N)cc1Br)C[C@H]1CCC[N@H+](C)C1 ZINC000181119243 455290943 /nfs/dbraw/zinc/29/09/43/455290943.db2.gz SCXQFHHSLLLGMH-AWEZNQCLSA-N 2 2 336.277 3.094 20 30 EGEDLP C[NH+](Cc1ccc(C#N)cc1Br)C[C@H]1CCC[N@@H+](C)C1 ZINC000181119243 455290945 /nfs/dbraw/zinc/29/09/45/455290945.db2.gz SCXQFHHSLLLGMH-AWEZNQCLSA-N 2 2 336.277 3.094 20 30 EGEDLP CC(C)(CCC#N)C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000174257467 455373807 /nfs/dbraw/zinc/37/38/07/455373807.db2.gz WACJKMLUKVOZPH-UHFFFAOYSA-N 2 2 328.504 3.118 20 30 EGEDLP Cc1cnc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000181824797 455387039 /nfs/dbraw/zinc/38/70/39/455387039.db2.gz BNMHDUAIUCMIHI-UHFFFAOYSA-N 2 2 326.469 3.077 20 30 EGEDLP CCn1cc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000294854289 455830054 /nfs/dbraw/zinc/83/00/54/455830054.db2.gz NQDZFSBPVNWQQY-MRXNPFEDSA-N 2 2 337.471 3.090 20 30 EGEDLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(C#N)cc1 ZINC000272181106 455869134 /nfs/dbraw/zinc/86/91/34/455869134.db2.gz FTXOENKZWAIFCI-HNAYVOBHSA-N 2 2 335.455 3.267 20 30 EGEDLP C[NH+](CCC[N@@H+](C)CCCC1(C#N)CCOCC1)Cc1ccco1 ZINC000285780192 455915067 /nfs/dbraw/zinc/91/50/67/455915067.db2.gz UCXFADFTGGFSKB-UHFFFAOYSA-N 2 2 333.476 3.134 20 30 EGEDLP C[NH+](CCC[N@H+](C)CCCC1(C#N)CCOCC1)Cc1ccco1 ZINC000285780192 455915072 /nfs/dbraw/zinc/91/50/72/455915072.db2.gz UCXFADFTGGFSKB-UHFFFAOYSA-N 2 2 333.476 3.134 20 30 EGEDLP C[NH+](CCC[N@H+](C)Cc1ccco1)CCCC1(C#N)CCOCC1 ZINC000285780192 455915077 /nfs/dbraw/zinc/91/50/77/455915077.db2.gz UCXFADFTGGFSKB-UHFFFAOYSA-N 2 2 333.476 3.134 20 30 EGEDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CCCC1(C#N)CCOCC1 ZINC000285780192 455915083 /nfs/dbraw/zinc/91/50/83/455915083.db2.gz UCXFADFTGGFSKB-UHFFFAOYSA-N 2 2 333.476 3.134 20 30 EGEDLP C=C(C)COc1cc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)ccc1OC ZINC000272681502 456037798 /nfs/dbraw/zinc/03/77/98/456037798.db2.gz VNCNEDLXDJVLKK-MSOLQXFVSA-N 2 2 330.472 3.176 20 30 EGEDLP C=C(C)COc1cc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)ccc1OC ZINC000272681502 456037803 /nfs/dbraw/zinc/03/78/03/456037803.db2.gz VNCNEDLXDJVLKK-MSOLQXFVSA-N 2 2 330.472 3.176 20 30 EGEDLP C=C(C)COc1cc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)ccc1OC ZINC000272681502 456037807 /nfs/dbraw/zinc/03/78/07/456037807.db2.gz VNCNEDLXDJVLKK-MSOLQXFVSA-N 2 2 330.472 3.176 20 30 EGEDLP C=C(C)COc1cc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)ccc1OC ZINC000272681502 456037810 /nfs/dbraw/zinc/03/78/10/456037810.db2.gz VNCNEDLXDJVLKK-MSOLQXFVSA-N 2 2 330.472 3.176 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H](COC)c2cccc(Cl)c2F)CC1 ZINC000287891695 456082262 /nfs/dbraw/zinc/08/22/62/456082262.db2.gz YZSSLOUNGFGIQO-MRXNPFEDSA-N 2 2 326.843 3.407 20 30 EGEDLP COc1cc(C#N)ccc1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000281028023 456113872 /nfs/dbraw/zinc/11/38/72/456113872.db2.gz OXMZQMPSCRNLBS-UHFFFAOYSA-N 2 2 337.423 3.314 20 30 EGEDLP Cc1ccc2[nH+]cc(CN(CC[NH+](C)C)Cc3ccc(C#N)cc3)n2c1 ZINC000289678585 456136246 /nfs/dbraw/zinc/13/62/46/456136246.db2.gz DXHGAGPMMWMZMD-UHFFFAOYSA-N 2 2 347.466 3.078 20 30 EGEDLP N#Cc1ccccc1C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000347685264 456305532 /nfs/dbraw/zinc/30/55/32/456305532.db2.gz HFZKXUYVLZEUGX-UHFFFAOYSA-N 2 2 328.419 3.429 20 30 EGEDLP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328922708 456792142 /nfs/dbraw/zinc/79/21/42/456792142.db2.gz COXOQQXOKXSBEZ-ZWKOTPCHSA-N 2 2 338.455 3.067 20 30 EGEDLP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328922708 456792145 /nfs/dbraw/zinc/79/21/45/456792145.db2.gz COXOQQXOKXSBEZ-ZWKOTPCHSA-N 2 2 338.455 3.067 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[C@@H](C(=O)OCC)c3ccccc32)CC1 ZINC000283506161 456793071 /nfs/dbraw/zinc/79/30/71/456793071.db2.gz ZCUBIYDFHMNEJA-UXHICEINSA-N 2 2 342.483 3.408 20 30 EGEDLP N#Cc1ccccc1COc1cccc(C[N@H+]2C[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC000353678220 456849210 /nfs/dbraw/zinc/84/92/10/456849210.db2.gz CXNJKGHCMSKVOC-UGKGYDQZSA-N 2 2 347.462 3.321 20 30 EGEDLP N#Cc1ccccc1COc1cccc(C[N@@H+]2C[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC000353678220 456849216 /nfs/dbraw/zinc/84/92/16/456849216.db2.gz CXNJKGHCMSKVOC-UGKGYDQZSA-N 2 2 347.462 3.321 20 30 EGEDLP O=C(CCc1[nH]cc[nH+]1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000329274339 456865016 /nfs/dbraw/zinc/86/50/16/456865016.db2.gz JGVUWLLVJZOWCD-UHFFFAOYSA-N 2 2 336.505 3.051 20 30 EGEDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CCCSCC#N ZINC000339660651 457198352 /nfs/dbraw/zinc/19/83/52/457198352.db2.gz IRGYWQZASCIQST-MRXNPFEDSA-N 2 2 328.485 3.456 20 30 EGEDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CCCSCC#N ZINC000339660651 457198356 /nfs/dbraw/zinc/19/83/56/457198356.db2.gz IRGYWQZASCIQST-MRXNPFEDSA-N 2 2 328.485 3.456 20 30 EGEDLP C=CCOc1ccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)cc1OC ZINC000347100026 457228338 /nfs/dbraw/zinc/22/83/38/457228338.db2.gz KCXIQSQLKHIICU-UHFFFAOYSA-N 2 2 330.472 3.224 20 30 EGEDLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1sccc1C#N ZINC000360945079 457452811 /nfs/dbraw/zinc/45/28/11/457452811.db2.gz CQGUKQFYHJTNAG-JKSUJKDBSA-N 2 2 348.516 3.048 20 30 EGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccccc2OCc2ccncc2)CC1 ZINC000358155530 457822454 /nfs/dbraw/zinc/82/24/54/457822454.db2.gz LVNHAHDAIUGBMC-UHFFFAOYSA-N 2 2 337.467 3.401 20 30 EGEDLP CO[C@@](C)([C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000414236529 458316872 /nfs/dbraw/zinc/31/68/72/458316872.db2.gz KTEWVISKWOOSAT-IERDGZPVSA-N 2 2 341.499 3.316 20 30 EGEDLP C=CCc1cc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc(OC)c1O ZINC000373227094 458436565 /nfs/dbraw/zinc/43/65/65/458436565.db2.gz JETOYJCMKRUKOF-KRWDZBQOSA-N 2 2 341.455 3.242 20 30 EGEDLP C=CCc1cc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc(OC)c1O ZINC000373227094 458436571 /nfs/dbraw/zinc/43/65/71/458436571.db2.gz JETOYJCMKRUKOF-KRWDZBQOSA-N 2 2 341.455 3.242 20 30 EGEDLP N#CC1(CCC[NH+]2CCC(Nc3cccc[nH+]3)CC2)CCOCC1 ZINC000530568739 458792574 /nfs/dbraw/zinc/79/25/74/458792574.db2.gz LVEWCJPIKQVIMF-UHFFFAOYSA-N 2 2 328.460 3.058 20 30 EGEDLP C=CCc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc(OC)c1O ZINC000567899001 459187058 /nfs/dbraw/zinc/18/70/58/459187058.db2.gz KTWPWLNHNMAUDH-QZTJIDSGSA-N 2 2 330.472 3.236 20 30 EGEDLP C=CCc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc(OC)c1O ZINC000567899001 459187061 /nfs/dbraw/zinc/18/70/61/459187061.db2.gz KTWPWLNHNMAUDH-QZTJIDSGSA-N 2 2 330.472 3.236 20 30 EGEDLP C=CCc1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc(OC)c1O ZINC000567899002 459187403 /nfs/dbraw/zinc/18/74/03/459187403.db2.gz KTWPWLNHNMAUDH-ROUUACIJSA-N 2 2 330.472 3.236 20 30 EGEDLP C=CCc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc(OC)c1O ZINC000567899002 459187408 /nfs/dbraw/zinc/18/74/08/459187408.db2.gz KTWPWLNHNMAUDH-ROUUACIJSA-N 2 2 330.472 3.236 20 30 EGEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498820486 459606308 /nfs/dbraw/zinc/60/63/08/459606308.db2.gz YMRJMJMVEIHJDK-WOJBJXKFSA-N 2 2 349.563 3.243 20 30 EGEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498820486 459606316 /nfs/dbraw/zinc/60/63/16/459606316.db2.gz YMRJMJMVEIHJDK-WOJBJXKFSA-N 2 2 349.563 3.243 20 30 EGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3cc4cnccc4o3)CC2)c1 ZINC000593692054 459953164 /nfs/dbraw/zinc/95/31/64/459953164.db2.gz WVMGHSYEMFERJH-UHFFFAOYSA-N 2 2 346.434 3.454 20 30 EGEDLP CC(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CCO1 ZINC000593693326 459954077 /nfs/dbraw/zinc/95/40/77/459954077.db2.gz UMPCBPDVKOXFFB-RTWAWAEBSA-N 2 2 341.499 3.316 20 30 EGEDLP CCCC[C@@H](COC)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593703453 459958063 /nfs/dbraw/zinc/95/80/63/459958063.db2.gz VOQRSMHEBTXOMY-FQEVSTJZSA-N 2 2 329.488 3.317 20 30 EGEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598597859 459958129 /nfs/dbraw/zinc/95/81/29/459958129.db2.gz VMBNVHBHUCJIOD-DLBZAZTESA-N 2 2 340.471 3.110 20 30 EGEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598597859 459958134 /nfs/dbraw/zinc/95/81/34/459958134.db2.gz VMBNVHBHUCJIOD-DLBZAZTESA-N 2 2 340.471 3.110 20 30 EGEDLP N#Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)n1 ZINC000602475625 459958391 /nfs/dbraw/zinc/95/83/91/459958391.db2.gz PZSNURHOMHHUHV-QFIPXVFZSA-N 2 2 346.478 3.441 20 30 EGEDLP N#Cc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)n1 ZINC000602475625 459958393 /nfs/dbraw/zinc/95/83/93/459958393.db2.gz PZSNURHOMHHUHV-QFIPXVFZSA-N 2 2 346.478 3.441 20 30 EGEDLP N#Cc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n1 ZINC000602475625 459958395 /nfs/dbraw/zinc/95/83/95/459958395.db2.gz PZSNURHOMHHUHV-QFIPXVFZSA-N 2 2 346.478 3.441 20 30 EGEDLP N#Cc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)n1 ZINC000602475625 459958408 /nfs/dbraw/zinc/95/84/08/459958408.db2.gz PZSNURHOMHHUHV-QFIPXVFZSA-N 2 2 346.478 3.441 20 30 EGEDLP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1(C)C ZINC000593719224 459963130 /nfs/dbraw/zinc/96/31/30/459963130.db2.gz ADCXAYWIWCSZIB-PMACEKPBSA-N 2 2 341.499 3.316 20 30 EGEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(Br)c1 ZINC000611500789 460377687 /nfs/dbraw/zinc/37/76/87/460377687.db2.gz KRZCTPDSRFFGMQ-OAHLLOKOSA-N 2 2 345.244 3.354 20 30 EGEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(Br)c1 ZINC000611500789 460377695 /nfs/dbraw/zinc/37/76/95/460377695.db2.gz KRZCTPDSRFFGMQ-OAHLLOKOSA-N 2 2 345.244 3.354 20 30 EGEDLP C[C@H](Cc1ccc(O)cc1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181696072 534146036 /nfs/dbraw/zinc/14/60/36/534146036.db2.gz PVUYGXZLUJVEAT-QGZVFWFLSA-N 2 2 349.478 3.449 20 30 EGEDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)cc2Br)C1 ZINC000181135877 527818849 /nfs/dbraw/zinc/81/88/49/527818849.db2.gz QOOQFQQSRHSVEU-AWEZNQCLSA-N 2 2 336.277 3.094 20 30 EGEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)cc2Br)C1 ZINC000181135877 527818851 /nfs/dbraw/zinc/81/88/51/527818851.db2.gz QOOQFQQSRHSVEU-AWEZNQCLSA-N 2 2 336.277 3.094 20 30 EGEDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181135877 527818858 /nfs/dbraw/zinc/81/88/58/527818858.db2.gz QOOQFQQSRHSVEU-AWEZNQCLSA-N 2 2 336.277 3.094 20 30 EGEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181135877 527818861 /nfs/dbraw/zinc/81/88/61/527818861.db2.gz QOOQFQQSRHSVEU-AWEZNQCLSA-N 2 2 336.277 3.094 20 30 EGEDLP C[NH+](C)C1(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CCCCCC1 ZINC000328874004 547486683 /nfs/dbraw/zinc/48/66/83/547486683.db2.gz JGXVYBIWHDDNAU-INIZCTEOSA-N 2 2 347.507 3.158 20 30 EGEDLP CCc1ccc(NC(=[NH2+])NCC[N@@H+]2CCc3sccc3C2)cc1 ZINC000104178247 1293019571 /nfs/dbraw/zinc/01/95/71/1293019571.db2.gz JEFVKLBYKCNCLC-UHFFFAOYSA-N 2 2 328.485 3.095 20 30 EGEDLP CCc1ccc(NC(=[NH2+])NCC[N@H+]2CCc3sccc3C2)cc1 ZINC000104178247 1293019581 /nfs/dbraw/zinc/01/95/81/1293019581.db2.gz JEFVKLBYKCNCLC-UHFFFAOYSA-N 2 2 328.485 3.095 20 30 EGEDLP CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC000303780978 1296853131 /nfs/dbraw/zinc/85/31/31/1296853131.db2.gz LURIZQBLTUKCBC-QFBILLFUSA-N 2 2 346.519 3.284 20 30 EGEDLP C[NH+](C)[C@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)c1cccc(F)c1 ZINC000303784692 1296854868 /nfs/dbraw/zinc/85/48/68/1296854868.db2.gz PPKZLPLEQZEZIR-LJQANCHMSA-N 2 2 340.446 3.344 20 30 EGEDLP CN(C)C(NCc1ccccc1-n1cc[nH+]c1)=[NH+]Cc1ccccc1 ZINC000303872317 1296863333 /nfs/dbraw/zinc/86/33/33/1296863333.db2.gz GGUFIGUQABFTCJ-UHFFFAOYSA-N 2 2 333.439 3.080 20 30 EGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C[C@H]3CC3(Cl)Cl)CC2)c1 ZINC000877614998 1299432986 /nfs/dbraw/zinc/43/29/86/1299432986.db2.gz LFEPUIFGDXUWEK-OAHLLOKOSA-N 2 2 338.282 3.306 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c3ccccc3[nH]c2C(=O)OC)CC1 ZINC000894229629 1306291659 /nfs/dbraw/zinc/29/16/59/1306291659.db2.gz VGTTZGLRJWLESY-UHFFFAOYSA-N 2 2 341.455 3.085 20 30 EGEDLP C#Cc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000809653637 1317857536 /nfs/dbraw/zinc/85/75/36/1317857536.db2.gz BKOXIKPCKRXDIV-JOCHJYFZSA-N 2 2 334.463 3.049 20 30 EGEDLP C#Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000809653637 1317857545 /nfs/dbraw/zinc/85/75/45/1317857545.db2.gz BKOXIKPCKRXDIV-JOCHJYFZSA-N 2 2 334.463 3.049 20 30 EGEDLP C[NH+](C)Cc1cnc(/C=C/C(=O)c2cccc(C[NH+](C)C)c2)s1 ZINC000905078183 1317920543 /nfs/dbraw/zinc/92/05/43/1317920543.db2.gz NAQMVYOYWKJFJR-CMDGGOBGSA-N 2 2 329.469 3.162 20 30 EGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000815652853 1319036518 /nfs/dbraw/zinc/03/65/18/1319036518.db2.gz WZWXMULDQWIILL-OAHLLOKOSA-N 2 2 344.890 3.440 20 30 EGEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000815652853 1319036528 /nfs/dbraw/zinc/03/65/28/1319036528.db2.gz WZWXMULDQWIILL-OAHLLOKOSA-N 2 2 344.890 3.440 20 30 EGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000815652671 1319038347 /nfs/dbraw/zinc/03/83/47/1319038347.db2.gz MQFSPSKTGRWARV-OAHLLOKOSA-N 2 2 339.252 3.120 20 30 EGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000815652671 1319038356 /nfs/dbraw/zinc/03/83/56/1319038356.db2.gz MQFSPSKTGRWARV-OAHLLOKOSA-N 2 2 339.252 3.120 20 30 EGEDLP C#Cc1cccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000825227195 1320319966 /nfs/dbraw/zinc/31/99/66/1320319966.db2.gz RIUVMBVPUUWABF-UHFFFAOYSA-N 2 2 329.447 3.294 20 30 EGEDLP N#CCOc1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cc1 ZINC000852116183 1323149987 /nfs/dbraw/zinc/14/99/87/1323149987.db2.gz ZSVZETLKTRVVRX-UHFFFAOYSA-N 2 2 335.451 3.343 20 30 EGEDLP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001024577848 1323515633 /nfs/dbraw/zinc/51/56/33/1323515633.db2.gz HXUWEBNHCGJHGY-LJQANCHMSA-N 2 2 338.455 3.033 20 30 EGEDLP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001024577848 1323515643 /nfs/dbraw/zinc/51/56/43/1323515643.db2.gz HXUWEBNHCGJHGY-LJQANCHMSA-N 2 2 338.455 3.033 20 30 EGEDLP C=CC[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2cc(F)ccc2F)CC1 ZINC000865454440 1329699476 /nfs/dbraw/zinc/69/94/76/1329699476.db2.gz YUALAGYJXOACOQ-UHFFFAOYSA-N 2 2 346.425 3.105 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948553770 1333572279 /nfs/dbraw/zinc/57/22/79/1333572279.db2.gz LAJNTQAIAIGOLO-KRWDZBQOSA-N 2 2 340.471 3.456 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948553770 1333572282 /nfs/dbraw/zinc/57/22/82/1333572282.db2.gz LAJNTQAIAIGOLO-KRWDZBQOSA-N 2 2 340.471 3.456 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000948767263 1333669320 /nfs/dbraw/zinc/66/93/20/1333669320.db2.gz USRPUBQPSSBPBU-SJORKVTESA-N 2 2 344.503 3.109 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000948767263 1333669322 /nfs/dbraw/zinc/66/93/22/1333669322.db2.gz USRPUBQPSSBPBU-SJORKVTESA-N 2 2 344.503 3.109 20 30 EGEDLP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000968859000 1336070757 /nfs/dbraw/zinc/07/07/57/1336070757.db2.gz KNRNRZJZKNUIDQ-GOSISDBHSA-N 2 2 340.471 3.193 20 30 EGEDLP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000968859000 1336070758 /nfs/dbraw/zinc/07/07/58/1336070758.db2.gz KNRNRZJZKNUIDQ-GOSISDBHSA-N 2 2 340.471 3.193 20 30 EGEDLP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000968965696 1336103954 /nfs/dbraw/zinc/10/39/54/1336103954.db2.gz VQZYYKYFDKNJMA-IBGZPJMESA-N 2 2 338.455 3.033 20 30 EGEDLP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000968965696 1336103959 /nfs/dbraw/zinc/10/39/59/1336103959.db2.gz VQZYYKYFDKNJMA-IBGZPJMESA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000969022332 1336120043 /nfs/dbraw/zinc/12/00/43/1336120043.db2.gz BXCFDXOEUBITQO-SJORKVTESA-N 2 2 344.503 3.157 20 30 EGEDLP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000969022332 1336120045 /nfs/dbraw/zinc/12/00/45/1336120045.db2.gz BXCFDXOEUBITQO-SJORKVTESA-N 2 2 344.503 3.157 20 30 EGEDLP C=C(C)CC[NH+]1CCC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001005585139 1336376467 /nfs/dbraw/zinc/37/64/67/1336376467.db2.gz ZEDZOTKEJHDWML-UHFFFAOYSA-N 2 2 326.444 3.066 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001046739186 1347077502 /nfs/dbraw/zinc/07/75/02/1347077502.db2.gz KCXIIINLYUXYII-FQEVSTJZSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001046739186 1347077504 /nfs/dbraw/zinc/07/75/04/1347077504.db2.gz KCXIIINLYUXYII-FQEVSTJZSA-N 2 2 338.455 3.033 20 30 EGEDLP CCCCCCC[NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001183164887 1387270728 /nfs/dbraw/zinc/27/07/28/1387270728.db2.gz DDPGZLRTFDCYAH-YLJYHZDGSA-N 2 2 348.535 3.007 20 30 EGEDLP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001099120521 1363635119 /nfs/dbraw/zinc/63/51/19/1363635119.db2.gz CFSAJBRCZSXXAS-QGZVFWFLSA-N 2 2 346.519 3.110 20 30 EGEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001099120521 1363635123 /nfs/dbraw/zinc/63/51/23/1363635123.db2.gz CFSAJBRCZSXXAS-QGZVFWFLSA-N 2 2 346.519 3.110 20 30 EGEDLP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001184273164 1387421810 /nfs/dbraw/zinc/42/18/10/1387421810.db2.gz JELNRQNUCSHDFT-MSOLQXFVSA-N 2 2 346.519 3.163 20 30 EGEDLP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001100331971 1364081666 /nfs/dbraw/zinc/08/16/66/1364081666.db2.gz RXZGZGUEQLUJRW-NXVRBGIVSA-N 2 2 340.471 3.095 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101317177 1364507906 /nfs/dbraw/zinc/50/79/06/1364507906.db2.gz LVZUAPGWJKKJOZ-QUCCMNQESA-N 2 2 346.519 3.024 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101317177 1364507908 /nfs/dbraw/zinc/50/79/08/1364507908.db2.gz LVZUAPGWJKKJOZ-QUCCMNQESA-N 2 2 346.519 3.024 20 30 EGEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001102088048 1364848096 /nfs/dbraw/zinc/84/80/96/1364848096.db2.gz JQDGEPLLSJMLEL-HLLBOEOZSA-N 2 2 340.471 3.215 20 30 EGEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001102088048 1364848099 /nfs/dbraw/zinc/84/80/99/1364848099.db2.gz JQDGEPLLSJMLEL-HLLBOEOZSA-N 2 2 340.471 3.215 20 30 EGEDLP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001104327291 1365979840 /nfs/dbraw/zinc/97/98/40/1365979840.db2.gz GSXCQOOMMGFRHP-GUDVDZBRSA-N 2 2 346.519 3.121 20 30 EGEDLP C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190934070 1367385244 /nfs/dbraw/zinc/38/52/44/1367385244.db2.gz MVULTGSDOGLLSB-ZBFHGGJFSA-N 2 2 326.444 3.064 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190934070 1367385248 /nfs/dbraw/zinc/38/52/48/1367385248.db2.gz MVULTGSDOGLLSB-ZBFHGGJFSA-N 2 2 326.444 3.064 20 30 EGEDLP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001110717770 1367946132 /nfs/dbraw/zinc/94/61/32/1367946132.db2.gz HCDQNQWWNBQPLJ-KOJWFEOWSA-N 2 2 338.455 3.253 20 30 EGEDLP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001110717770 1367946134 /nfs/dbraw/zinc/94/61/34/1367946134.db2.gz HCDQNQWWNBQPLJ-KOJWFEOWSA-N 2 2 338.455 3.253 20 30 EGEDLP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001110750723 1367959455 /nfs/dbraw/zinc/95/94/55/1367959455.db2.gz YMRGSYFHJJCXHD-QRVBRYPASA-N 2 2 347.547 3.327 20 30 EGEDLP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001110750723 1367959459 /nfs/dbraw/zinc/95/94/59/1367959459.db2.gz YMRGSYFHJJCXHD-QRVBRYPASA-N 2 2 347.547 3.327 20 30 EGEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001110750723 1367959467 /nfs/dbraw/zinc/95/94/67/1367959467.db2.gz YMRGSYFHJJCXHD-QRVBRYPASA-N 2 2 347.547 3.327 20 30 EGEDLP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001110750723 1367959473 /nfs/dbraw/zinc/95/94/73/1367959473.db2.gz YMRGSYFHJJCXHD-QRVBRYPASA-N 2 2 347.547 3.327 20 30 EGEDLP CCCCCCC[N@@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001197283337 1368779227 /nfs/dbraw/zinc/77/92/27/1368779227.db2.gz KJSFGCIZUVHTST-SFHVURJKSA-N 2 2 334.508 3.339 20 30 EGEDLP CCCCCCC[N@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001197283337 1368779229 /nfs/dbraw/zinc/77/92/29/1368779229.db2.gz KJSFGCIZUVHTST-SFHVURJKSA-N 2 2 334.508 3.339 20 30 EGEDLP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C12CCC2 ZINC001202854337 1369908917 /nfs/dbraw/zinc/90/89/17/1369908917.db2.gz BBZDRXYDFWVNNA-DLBZAZTESA-N 2 2 344.503 3.106 20 30 EGEDLP C=C(C)C[NH2+]C1(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CCCCC1 ZINC001115583403 1370585681 /nfs/dbraw/zinc/58/56/81/1370585681.db2.gz BDZCGMZATFFAAJ-GOSISDBHSA-N 2 2 346.519 3.455 20 30 EGEDLP CCCCCCC[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCCCC1 ZINC001115790516 1370772999 /nfs/dbraw/zinc/77/29/99/1370772999.db2.gz SEXLCPIDZWRQNP-UHFFFAOYSA-N 2 2 334.508 3.331 20 30 EGEDLP C=CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001120391623 1371558395 /nfs/dbraw/zinc/55/83/95/1371558395.db2.gz DIHPWDWVSJOUHI-PKOBYXMFSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001120391623 1371558399 /nfs/dbraw/zinc/55/83/99/1371558399.db2.gz DIHPWDWVSJOUHI-PKOBYXMFSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001120391623 1371558400 /nfs/dbraw/zinc/55/84/00/1371558400.db2.gz DIHPWDWVSJOUHI-PKOBYXMFSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001120391623 1371558402 /nfs/dbraw/zinc/55/84/02/1371558402.db2.gz DIHPWDWVSJOUHI-PKOBYXMFSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001209866278 1372217734 /nfs/dbraw/zinc/21/77/34/1372217734.db2.gz QPTBCSBGQJPCNV-ROUUACIJSA-N 2 2 332.492 3.161 20 30 EGEDLP CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001210049823 1372262466 /nfs/dbraw/zinc/26/24/66/1372262466.db2.gz ABOWVGAMBLLAOX-SJORKVTESA-N 2 2 334.508 3.139 20 30 EGEDLP CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001210049823 1372262467 /nfs/dbraw/zinc/26/24/67/1372262467.db2.gz ABOWVGAMBLLAOX-SJORKVTESA-N 2 2 334.508 3.139 20 30 EGEDLP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001210437351 1372353146 /nfs/dbraw/zinc/35/31/46/1372353146.db2.gz JAPFEOKNQQZQAI-SFHVURJKSA-N 2 2 338.455 3.033 20 30 EGEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001215190485 1373184718 /nfs/dbraw/zinc/18/47/18/1373184718.db2.gz ZPHZIDPTXLPURP-RVKKMQEKSA-N 2 2 329.488 3.412 20 30 EGEDLP Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001233079530 1376564488 /nfs/dbraw/zinc/56/44/88/1376564488.db2.gz GSWHIUZGATUTNA-KDURUIRLSA-N 2 2 337.492 3.492 20 30 EGEDLP Cc1cc(C#N)ccc1C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001233079530 1376564492 /nfs/dbraw/zinc/56/44/92/1376564492.db2.gz GSWHIUZGATUTNA-KDURUIRLSA-N 2 2 337.492 3.492 20 30 EGEDLP Cc1cc(C#N)ccc1C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001233079530 1376564495 /nfs/dbraw/zinc/56/44/95/1376564495.db2.gz GSWHIUZGATUTNA-KDURUIRLSA-N 2 2 337.492 3.492 20 30 EGEDLP Cc1cc(C#N)ccc1C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001233079530 1376564498 /nfs/dbraw/zinc/56/44/98/1376564498.db2.gz GSWHIUZGATUTNA-KDURUIRLSA-N 2 2 337.492 3.492 20 30 EGEDLP CCCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001134732977 1376684423 /nfs/dbraw/zinc/68/44/23/1376684423.db2.gz RQFFIJARJAJPPM-IAGOWNOFSA-N 2 2 349.519 3.476 20 30 EGEDLP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135096894 1376894775 /nfs/dbraw/zinc/89/47/75/1376894775.db2.gz CSCSRJCAPSBVQN-LSDHHAIUSA-N 2 2 346.862 3.111 20 30 EGEDLP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001147787913 1379078910 /nfs/dbraw/zinc/07/89/10/1379078910.db2.gz MQDWWNMAERNWQS-HNNXBMFYSA-N 2 2 338.455 3.066 20 30 EGEDLP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001147787913 1379078912 /nfs/dbraw/zinc/07/89/12/1379078912.db2.gz MQDWWNMAERNWQS-HNNXBMFYSA-N 2 2 338.455 3.066 20 30 EGEDLP CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001154092854 1380205150 /nfs/dbraw/zinc/20/51/50/1380205150.db2.gz OJBRKEXSFLTXAR-QZTJIDSGSA-N 2 2 348.535 3.243 20 30 EGEDLP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001154092854 1380205152 /nfs/dbraw/zinc/20/51/52/1380205152.db2.gz OJBRKEXSFLTXAR-QZTJIDSGSA-N 2 2 348.535 3.243 20 30 EGEDLP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001158050920 1381113298 /nfs/dbraw/zinc/11/32/98/1381113298.db2.gz YQZLTIHTCVRNAJ-SJLPKXTDSA-N 2 2 332.492 3.010 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001158050920 1381113301 /nfs/dbraw/zinc/11/33/01/1381113301.db2.gz YQZLTIHTCVRNAJ-SJLPKXTDSA-N 2 2 332.492 3.010 20 30 EGEDLP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001158050920 1381113305 /nfs/dbraw/zinc/11/33/05/1381113305.db2.gz YQZLTIHTCVRNAJ-SJLPKXTDSA-N 2 2 332.492 3.010 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001158050920 1381113309 /nfs/dbraw/zinc/11/33/09/1381113309.db2.gz YQZLTIHTCVRNAJ-SJLPKXTDSA-N 2 2 332.492 3.010 20 30 EGEDLP Cc1[nH+]cc(C2CC2)cc1Nc1ccc(N2CC[NH2+]CC2)c(C#N)c1 ZINC001159748962 1381888885 /nfs/dbraw/zinc/88/88/85/1381888885.db2.gz RQZFEEKGQFYCSG-UHFFFAOYSA-N 2 2 333.439 3.292 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001161356398 1382381466 /nfs/dbraw/zinc/38/14/66/1382381466.db2.gz NWMVKPMWQSQXNS-QZTJIDSGSA-N 2 2 344.503 3.327 20 30 EGEDLP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001161356398 1382381469 /nfs/dbraw/zinc/38/14/69/1382381469.db2.gz NWMVKPMWQSQXNS-QZTJIDSGSA-N 2 2 344.503 3.327 20 30 EGEDLP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001161993446 1382592737 /nfs/dbraw/zinc/59/27/37/1382592737.db2.gz AYLVIGCBVQZPNS-GOSISDBHSA-N 2 2 344.503 3.156 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001161993446 1382592741 /nfs/dbraw/zinc/59/27/41/1382592741.db2.gz AYLVIGCBVQZPNS-GOSISDBHSA-N 2 2 344.503 3.156 20 30 EGEDLP CCCCCCC[NH2+]CC1(CCNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001167942474 1383775031 /nfs/dbraw/zinc/77/50/31/1383775031.db2.gz RJXBGFSKWIDAOS-UHFFFAOYSA-N 2 2 348.535 3.199 20 30 EGEDLP C=CCN1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168054809 1383806159 /nfs/dbraw/zinc/80/61/59/1383806159.db2.gz UGXMPTZDCQRCPX-CEQLMSFQSA-N 2 2 327.516 3.232 20 30 EGEDLP C=CCN1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168054809 1383806164 /nfs/dbraw/zinc/80/61/64/1383806164.db2.gz UGXMPTZDCQRCPX-CEQLMSFQSA-N 2 2 327.516 3.232 20 30 EGEDLP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171525444 1384551099 /nfs/dbraw/zinc/55/10/99/1384551099.db2.gz CWKPNXJOJUHWPG-ZDUSSCGKSA-N 2 2 334.851 3.194 20 30 EGEDLP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001171859436 1384662688 /nfs/dbraw/zinc/66/26/88/1384662688.db2.gz CVKNRHNSOOVBAF-MRXNPFEDSA-N 2 2 347.503 3.088 20 30 EGEDLP COC(=O)c1ccc(C[NH+]2CCC([NH2+][C@@H](C)CCCC#N)CC2)cc1 ZINC001172488763 1384804167 /nfs/dbraw/zinc/80/41/67/1384804167.db2.gz OJOMHXKUWOXBQN-INIZCTEOSA-N 2 2 343.471 3.110 20 30 EGEDLP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001177353301 1385925818 /nfs/dbraw/zinc/92/58/18/1385925818.db2.gz XHVWPIUYPGWUMS-UHFFFAOYSA-N 2 2 340.471 3.361 20 30 EGEDLP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001177466875 1385966993 /nfs/dbraw/zinc/96/69/93/1385966993.db2.gz HCLCNNRLUPJXGL-UHFFFAOYSA-N 2 2 346.519 3.262 20 30 EGEDLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CCOc2cccc(C#N)c2)[nH+]1 ZINC001319605825 1386205445 /nfs/dbraw/zinc/20/54/45/1386205445.db2.gz FDRPYIIAFLFMFB-GOSISDBHSA-N 2 2 336.439 3.217 20 30 EGEDLP Cc1cccc(NC[C@H]2CCC[N@H+]2CCOc2cccc(C#N)c2)[nH+]1 ZINC001319605825 1386205448 /nfs/dbraw/zinc/20/54/48/1386205448.db2.gz FDRPYIIAFLFMFB-GOSISDBHSA-N 2 2 336.439 3.217 20 30 EGEDLP C=C(C)C[NH2+]CCCCCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001179973285 1386654174 /nfs/dbraw/zinc/65/41/74/1386654174.db2.gz ZSGITSBESMIFJH-UHFFFAOYSA-N 2 2 340.471 3.328 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001714131124 1418934545 /nfs/dbraw/zinc/93/45/45/1418934545.db2.gz CYOQNPITZQBCMD-SJORKVTESA-N 2 2 340.471 3.273 20 30 EGEDLP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001752797427 1440214621 /nfs/dbraw/zinc/21/46/21/1440214621.db2.gz GXQWSMJHPABJSP-QGZVFWFLSA-N 2 2 340.471 3.051 20 30 EGEDLP CCCCCCC[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001755031254 1440731733 /nfs/dbraw/zinc/73/17/33/1440731733.db2.gz OBOCTEOXPYGRGR-KRWDZBQOSA-N 2 2 334.508 3.202 20 30 EGEDLP CCCCCCC[N@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001755031254 1440731734 /nfs/dbraw/zinc/73/17/34/1440731734.db2.gz OBOCTEOXPYGRGR-KRWDZBQOSA-N 2 2 334.508 3.202 20 30 EGEDLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(C#N)ccc1Br ZINC000191817948 529899034 /nfs/dbraw/zinc/89/90/34/529899034.db2.gz QNIZIHFMOYJKOP-UHFFFAOYSA-N 2 2 333.233 3.039 20 30 EGEDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(C#N)ccc1Br ZINC000191817948 529899035 /nfs/dbraw/zinc/89/90/35/529899035.db2.gz QNIZIHFMOYJKOP-UHFFFAOYSA-N 2 2 333.233 3.039 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(O)c(F)c3)CC2)cc1 ZINC000181782624 234322083 /nfs/dbraw/zinc/32/20/83/234322083.db2.gz SKHLQGLGAAUCTN-UHFFFAOYSA-N 2 2 339.414 3.157 20 30 EGEDLP Cc1cc(N2CC[NH+](Cc3cc(C#N)cs3)CC2)nc(C(C)C)[nH+]1 ZINC000121739707 152368005 /nfs/dbraw/zinc/36/80/05/152368005.db2.gz PAUOVPSBMAVHKP-UHFFFAOYSA-N 2 2 341.484 3.164 20 30 EGEDLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc(C#N)c1 ZINC000344104700 164103766 /nfs/dbraw/zinc/10/37/66/164103766.db2.gz PUTCWKDGDVNTLH-WTOYTKOKSA-N 2 2 349.478 3.092 20 30 EGEDLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc(C#N)c1 ZINC000344104700 164103768 /nfs/dbraw/zinc/10/37/68/164103768.db2.gz PUTCWKDGDVNTLH-WTOYTKOKSA-N 2 2 349.478 3.092 20 30 EGEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2Cl)[C@@H](C)C1 ZINC000346529413 164391972 /nfs/dbraw/zinc/39/19/72/164391972.db2.gz CJUPQNDCEQBPML-HNAYVOBHSA-N 2 2 349.906 3.438 20 30 EGEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2Cl)[C@@H](C)C1 ZINC000346529413 164391974 /nfs/dbraw/zinc/39/19/74/164391974.db2.gz CJUPQNDCEQBPML-HNAYVOBHSA-N 2 2 349.906 3.438 20 30 EGEDLP C[C@H]([NH2+][C@@H]1CCO[C@H](c2c[nH+]cn2C)C1)c1ccc(C#N)cc1F ZINC000332429646 270045238 /nfs/dbraw/zinc/04/52/38/270045238.db2.gz PTJVNLVFEIXGCV-WRSAYESZSA-N 2 2 328.391 3.002 20 30 EGEDLP CC[NH+](CC)CCC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285365300 266112443 /nfs/dbraw/zinc/11/24/43/266112443.db2.gz BPPMUKVAIPOOIW-UHFFFAOYSA-N 2 2 333.451 3.272 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](CCO)c3ccccc3)CC2)cc1 ZINC000271886324 268065577 /nfs/dbraw/zinc/06/55/77/268065577.db2.gz QSBCMMNRGMTSEM-JOCHJYFZSA-N 2 2 349.478 3.236 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCOC4(CCC4)C3)CC2)cc1 ZINC000271875977 268065582 /nfs/dbraw/zinc/06/55/82/268065582.db2.gz OAUMKIJOZQNEBG-HXUWFJFHSA-N 2 2 339.483 3.214 20 30 EGEDLP N#Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)cc1 ZINC000289294759 276317440 /nfs/dbraw/zinc/31/74/40/276317440.db2.gz HMDWIFZLLKQRBL-IBGZPJMESA-N 2 2 348.450 3.207 20 30 EGEDLP N#Cc1ccc(C[N@H+]2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)cc1 ZINC000289294759 276317441 /nfs/dbraw/zinc/31/74/41/276317441.db2.gz HMDWIFZLLKQRBL-IBGZPJMESA-N 2 2 348.450 3.207 20 30 EGEDLP C[C@@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)c1ccc(C#N)cc1 ZINC000176815242 323333114 /nfs/dbraw/zinc/33/31/14/323333114.db2.gz YIQRLDSVRICXGG-GOSISDBHSA-N 2 2 341.499 3.492 20 30 EGEDLP N#Cc1ccccc1COc1cccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000066905884 453885049 /nfs/dbraw/zinc/88/50/49/453885049.db2.gz BGEWFMFQABYXDQ-FQEVSTJZSA-N 2 2 347.462 3.464 20 30 EGEDLP N#Cc1ccccc1COc1cccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000066905884 453885051 /nfs/dbraw/zinc/88/50/51/453885051.db2.gz BGEWFMFQABYXDQ-FQEVSTJZSA-N 2 2 347.462 3.464 20 30 EGEDLP C=CCOc1ccc(C[NH2+][C@@H](C)CC[NH+]2CCOCC2)cc1Cl ZINC000124276931 454712792 /nfs/dbraw/zinc/71/27/92/454712792.db2.gz CMOXNGQVJUEENI-HNNXBMFYSA-N 2 2 338.879 3.105 20 30 EGEDLP C=C(C)CN(CC)C(=O)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480874 454956910 /nfs/dbraw/zinc/95/69/10/454956910.db2.gz ZZNCQMBCLFEAKZ-UHFFFAOYSA-N 2 2 343.515 3.007 20 30 EGEDLP C=C(C)CN(CC)C(=O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480874 454956912 /nfs/dbraw/zinc/95/69/12/454956912.db2.gz ZZNCQMBCLFEAKZ-UHFFFAOYSA-N 2 2 343.515 3.007 20 30 EGEDLP C#CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000116384813 455054296 /nfs/dbraw/zinc/05/42/96/455054296.db2.gz GLHUTUHCBBQYAU-AVRDEDQJSA-N 2 2 349.478 3.094 20 30 EGEDLP C#CCOc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000116384813 455054300 /nfs/dbraw/zinc/05/43/00/455054300.db2.gz GLHUTUHCBBQYAU-AVRDEDQJSA-N 2 2 349.478 3.094 20 30 EGEDLP C=CC[NH+]1CCC(NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000172001773 455107827 /nfs/dbraw/zinc/10/78/27/455107827.db2.gz GGOAWBBLEFZGNW-UHFFFAOYSA-N 2 2 337.423 3.254 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC[C@@H]3CCCCO3)CC2)cc1 ZINC000180250860 455152192 /nfs/dbraw/zinc/15/21/92/455152192.db2.gz WTWOXZMUUWXTHS-FQEVSTJZSA-N 2 2 327.472 3.071 20 30 EGEDLP N#Cc1csc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000192357601 455597115 /nfs/dbraw/zinc/59/71/15/455597115.db2.gz SYWOZOWDGZJZQH-GOSISDBHSA-N 2 2 341.480 3.000 20 30 EGEDLP N#Cc1csc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000192357601 455597123 /nfs/dbraw/zinc/59/71/23/455597123.db2.gz SYWOZOWDGZJZQH-GOSISDBHSA-N 2 2 341.480 3.000 20 30 EGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccc(C#N)c(F)c1 ZINC000271932295 455799672 /nfs/dbraw/zinc/79/96/72/455799672.db2.gz LQLDYRYWSBPGFY-OAHLLOKOSA-N 2 2 338.430 3.408 20 30 EGEDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000278623470 455842579 /nfs/dbraw/zinc/84/25/79/455842579.db2.gz NMZCFUATIDNDRA-UHFFFAOYSA-N 2 2 325.387 3.444 20 30 EGEDLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCC[C@@H](C#N)C3)[nH+]c2)CC1 ZINC000278862947 455851895 /nfs/dbraw/zinc/85/18/95/455851895.db2.gz WKGGPNNKMBPSGJ-HZPDHXFCSA-N 2 2 327.476 3.106 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000280784901 456052142 /nfs/dbraw/zinc/05/21/42/456052142.db2.gz FZFRCSIWSZEJQC-UHFFFAOYSA-N 2 2 328.435 3.142 20 30 EGEDLP Cn1cc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1C#N ZINC000289242728 456118703 /nfs/dbraw/zinc/11/87/03/456118703.db2.gz AALVGQFUGSQLNZ-VQTJNVASSA-N 2 2 331.423 3.112 20 30 EGEDLP COc1ccc(C[N@H+](Cc2ccco2)C2CC[NH+](C)CC2)cc1C#N ZINC000290553575 456362178 /nfs/dbraw/zinc/36/21/78/456362178.db2.gz RXIPCSLGTDKSSZ-UHFFFAOYSA-N 2 2 339.439 3.256 20 30 EGEDLP COc1ccc(C[N@@H+](Cc2ccco2)C2CC[NH+](C)CC2)cc1C#N ZINC000290553575 456362184 /nfs/dbraw/zinc/36/21/84/456362184.db2.gz RXIPCSLGTDKSSZ-UHFFFAOYSA-N 2 2 339.439 3.256 20 30 EGEDLP COc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1C#N ZINC000348329760 456627875 /nfs/dbraw/zinc/62/78/75/456627875.db2.gz WCCZAELSHPYZBQ-SFTDATJTSA-N 2 2 347.462 3.131 20 30 EGEDLP O=C(NCCc1[nH]cc[nH+]1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329361032 456878334 /nfs/dbraw/zinc/87/83/34/456878334.db2.gz IIEHAEPADFQUHB-HNNXBMFYSA-N 2 2 341.459 3.416 20 30 EGEDLP Cc1nn(-c2cc[nH+]cc2)cc1CNc1[nH+]cccc1OCCCC#N ZINC000341953289 457022615 /nfs/dbraw/zinc/02/26/15/457022615.db2.gz CUIZHSUOXNHCOF-UHFFFAOYSA-N 2 2 348.410 3.265 20 30 EGEDLP N#CCC[C@@H](C#N)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000360617662 457321847 /nfs/dbraw/zinc/32/18/47/457321847.db2.gz HWYODPODUFYBKM-LEWJYISDSA-N 2 2 336.483 3.418 20 30 EGEDLP N#CCC[C@@H](C#N)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000360617662 457321849 /nfs/dbraw/zinc/32/18/49/457321849.db2.gz HWYODPODUFYBKM-LEWJYISDSA-N 2 2 336.483 3.418 20 30 EGEDLP N#CCC[C@@H](C#N)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000360617662 457321853 /nfs/dbraw/zinc/32/18/53/457321853.db2.gz HWYODPODUFYBKM-LEWJYISDSA-N 2 2 336.483 3.418 20 30 EGEDLP N#CCC[C@@H](C#N)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000360617662 457321855 /nfs/dbraw/zinc/32/18/55/457321855.db2.gz HWYODPODUFYBKM-LEWJYISDSA-N 2 2 336.483 3.418 20 30 EGEDLP Cc1cc[nH+]cc1CCC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000347629606 457561461 /nfs/dbraw/zinc/56/14/61/457561461.db2.gz CJQDERIXFKMSIM-UHFFFAOYSA-N 2 2 338.430 3.156 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420356752 458397948 /nfs/dbraw/zinc/39/79/48/458397948.db2.gz GXVSXXJCBZNPCU-KRWDZBQOSA-N 2 2 347.528 3.400 20 30 EGEDLP C=CCC1(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)CCCCC1 ZINC000450362313 458445897 /nfs/dbraw/zinc/44/58/97/458445897.db2.gz HNQDAEYCBOFYGX-SFHVURJKSA-N 2 2 347.547 3.140 20 30 EGEDLP C=CCC1(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)CCCCC1 ZINC000450362313 458445902 /nfs/dbraw/zinc/44/59/02/458445902.db2.gz HNQDAEYCBOFYGX-SFHVURJKSA-N 2 2 347.547 3.140 20 30 EGEDLP Cc1cccn2cc(-c3ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc3)[nH+]c12 ZINC000424128520 458565599 /nfs/dbraw/zinc/56/55/99/458565599.db2.gz FOJOLGDPLMDUOA-QGZVFWFLSA-N 2 2 347.422 3.269 20 30 EGEDLP Fc1ccc(C#CC[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000471024051 458674726 /nfs/dbraw/zinc/67/47/26/458674726.db2.gz XZPCRUNKAHQIIL-OYRHEFFESA-N 2 2 334.438 3.241 20 30 EGEDLP Fc1ccc(C#CC[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000471024051 458674730 /nfs/dbraw/zinc/67/47/30/458674730.db2.gz XZPCRUNKAHQIIL-OYRHEFFESA-N 2 2 334.438 3.241 20 30 EGEDLP Fc1ccc(C#CC[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000471024051 458674736 /nfs/dbraw/zinc/67/47/36/458674736.db2.gz XZPCRUNKAHQIIL-OYRHEFFESA-N 2 2 334.438 3.241 20 30 EGEDLP Fc1ccc(C#CC[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000471024051 458674740 /nfs/dbraw/zinc/67/47/40/458674740.db2.gz XZPCRUNKAHQIIL-OYRHEFFESA-N 2 2 334.438 3.241 20 30 EGEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595102097 459245464 /nfs/dbraw/zinc/24/54/64/459245464.db2.gz JMMBBVJMFKFUAR-PZJWPPBQSA-N 2 2 339.483 3.169 20 30 EGEDLP COCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593725031 459966345 /nfs/dbraw/zinc/96/63/45/459966345.db2.gz HWERGZDUVMOLCW-PZJWPPBQSA-N 2 2 341.499 3.317 20 30 EGEDLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1ccc(C#N)cc1 ZINC000611465221 460370482 /nfs/dbraw/zinc/37/04/82/460370482.db2.gz MJQMBXWMQURDII-UHFFFAOYSA-N 2 2 347.466 3.284 20 30 EGEDLP C=CC[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3F)nc2C)CC1 ZINC000655729797 461399076 /nfs/dbraw/zinc/39/90/76/461399076.db2.gz DUVJVIKVVPGTFZ-UHFFFAOYSA-N 2 2 328.435 3.060 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000177907927 526452697 /nfs/dbraw/zinc/45/26/97/526452697.db2.gz VGEPKBOZSDXIFO-AWEZNQCLSA-N 2 2 334.460 3.013 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ncc(Br)cc2F)CC1 ZINC000187178021 526453596 /nfs/dbraw/zinc/45/35/96/526453596.db2.gz YEFIAYBLLIIZRS-NSHDSACASA-N 2 2 342.256 3.284 20 30 EGEDLP CCCC[C@@H](COC)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181776649 528830932 /nfs/dbraw/zinc/83/09/32/528830932.db2.gz DAYMESMABFZWGI-FQEVSTJZSA-N 2 2 329.488 3.317 20 30 EGEDLP C#CCOc1ccccc1C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000742709780 576793815 /nfs/dbraw/zinc/79/38/15/576793815.db2.gz PZCMTJVITSLSNO-UHFFFAOYSA-N 2 2 331.419 3.483 20 30 EGEDLP CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)c2c[nH+]ccc2N)ccc1OC ZINC000817917036 1319460647 /nfs/dbraw/zinc/46/06/47/1319460647.db2.gz DKUCBAGDRHHCOZ-HIFRSBDPSA-N 2 2 340.427 3.035 20 30 EGEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817943566 1319469863 /nfs/dbraw/zinc/46/98/63/1319469863.db2.gz VMGYSBKCUVYLGW-KKSFZXQISA-N 2 2 337.467 3.115 20 30 EGEDLP CC[NH+](CC)[C@@H](C[NH+]=C(NCc1ccccc1)N(C)C)c1ccco1 ZINC000849067516 1322065183 /nfs/dbraw/zinc/06/51/83/1322065183.db2.gz KEOKKZDXZUADQP-SFHVURJKSA-N 2 2 342.487 3.370 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)CC1 ZINC000924984187 1323236761 /nfs/dbraw/zinc/23/67/61/1323236761.db2.gz OZJGRQWYMADIKE-INIZCTEOSA-N 2 2 337.508 3.014 20 30 EGEDLP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001024510821 1323459925 /nfs/dbraw/zinc/45/99/25/1323459925.db2.gz YFPZKCVOVIXJNG-INIZCTEOSA-N 2 2 326.444 3.113 20 30 EGEDLP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001024510821 1323459932 /nfs/dbraw/zinc/45/99/32/1323459932.db2.gz YFPZKCVOVIXJNG-INIZCTEOSA-N 2 2 326.444 3.113 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000966103400 1328183659 /nfs/dbraw/zinc/18/36/59/1328183659.db2.gz LOILNRHFMPTSTI-QAPCUYQASA-N 2 2 340.471 3.049 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000966103400 1328183662 /nfs/dbraw/zinc/18/36/62/1328183662.db2.gz LOILNRHFMPTSTI-QAPCUYQASA-N 2 2 340.471 3.049 20 30 EGEDLP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000969101047 1336143719 /nfs/dbraw/zinc/14/37/19/1336143719.db2.gz OTGWKMZJJGXHRX-LJQANCHMSA-N 2 2 338.455 3.033 20 30 EGEDLP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000969101047 1336143721 /nfs/dbraw/zinc/14/37/21/1336143721.db2.gz OTGWKMZJJGXHRX-LJQANCHMSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1)CC2 ZINC001035231659 1343053068 /nfs/dbraw/zinc/05/30/68/1343053068.db2.gz PRWANUCKTGJWOK-SFHVURJKSA-N 2 2 344.503 3.115 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1)CC2 ZINC001035231659 1343053071 /nfs/dbraw/zinc/05/30/71/1343053071.db2.gz PRWANUCKTGJWOK-SFHVURJKSA-N 2 2 344.503 3.115 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]21 ZINC001036750227 1343673596 /nfs/dbraw/zinc/67/35/96/1343673596.db2.gz KFGWXHUYWZOJTO-BEFAXECRSA-N 2 2 338.455 3.066 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]21 ZINC001036750227 1343673597 /nfs/dbraw/zinc/67/35/97/1343673597.db2.gz KFGWXHUYWZOJTO-BEFAXECRSA-N 2 2 338.455 3.066 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001046512168 1346999471 /nfs/dbraw/zinc/99/94/71/1346999471.db2.gz CDIGJDNSPASFCQ-HXUWFJFHSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001046512168 1346999475 /nfs/dbraw/zinc/99/94/75/1346999475.db2.gz CDIGJDNSPASFCQ-HXUWFJFHSA-N 2 2 338.455 3.033 20 30 EGEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001052599547 1348591620 /nfs/dbraw/zinc/59/16/20/1348591620.db2.gz WQWVNFUEUFMXPV-GOSISDBHSA-N 2 2 338.455 3.033 20 30 EGEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001052599547 1348591623 /nfs/dbraw/zinc/59/16/23/1348591623.db2.gz WQWVNFUEUFMXPV-GOSISDBHSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001085288321 1358453516 /nfs/dbraw/zinc/45/35/16/1358453516.db2.gz AAADUIILYQTSEX-RTBURBONSA-N 2 2 338.455 3.079 20 30 EGEDLP C=CCC[C@H](C)[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001183175788 1387272116 /nfs/dbraw/zinc/27/21/16/1387272116.db2.gz FREOPNVGDWLXGC-GQIGUUNPSA-N 2 2 346.519 3.116 20 30 EGEDLP C=C(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001086927146 1359251934 /nfs/dbraw/zinc/25/19/34/1359251934.db2.gz UAQWIHHRMGUSBQ-KRWDZBQOSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001086927146 1359251939 /nfs/dbraw/zinc/25/19/39/1359251939.db2.gz UAQWIHHRMGUSBQ-KRWDZBQOSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001089693851 1360598816 /nfs/dbraw/zinc/59/88/16/1360598816.db2.gz PVOSXVGAJXWSIU-HOTGVXAUSA-N 2 2 344.503 3.013 20 30 EGEDLP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001089693851 1360598817 /nfs/dbraw/zinc/59/88/17/1360598817.db2.gz PVOSXVGAJXWSIU-HOTGVXAUSA-N 2 2 344.503 3.013 20 30 EGEDLP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001184851411 1387549236 /nfs/dbraw/zinc/54/92/36/1387549236.db2.gz NCDYYGIUWQJNSP-MAUKXSAKSA-N 2 2 329.488 3.271 20 30 EGEDLP C=C(Cl)C[NH2+]C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCCC1 ZINC001324482200 1387639565 /nfs/dbraw/zinc/63/95/65/1387639565.db2.gz JJFDIYCYCPGIMQ-KRWDZBQOSA-N 2 2 346.862 3.194 20 30 EGEDLP C=C(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001101536582 1364605185 /nfs/dbraw/zinc/60/51/85/1364605185.db2.gz PPISTJAOFCHOPZ-UHFFFAOYSA-N 2 2 346.519 3.163 20 30 EGEDLP C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001101590418 1364641216 /nfs/dbraw/zinc/64/12/16/1364641216.db2.gz PYCKJAOYVZMWAA-UHFFFAOYSA-N 2 2 346.519 3.118 20 30 EGEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001103118903 1365392754 /nfs/dbraw/zinc/39/27/54/1365392754.db2.gz VKENORJNDZAQAP-QRVBRYPASA-N 2 2 346.519 3.121 20 30 EGEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001103118903 1365392758 /nfs/dbraw/zinc/39/27/58/1365392758.db2.gz VKENORJNDZAQAP-QRVBRYPASA-N 2 2 346.519 3.121 20 30 EGEDLP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107445477 1366966113 /nfs/dbraw/zinc/96/61/13/1366966113.db2.gz ZYYDSOFJJRDZIK-QWFCFKBJSA-N 2 2 344.503 3.017 20 30 EGEDLP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107445477 1366966116 /nfs/dbraw/zinc/96/61/16/1366966116.db2.gz ZYYDSOFJJRDZIK-QWFCFKBJSA-N 2 2 344.503 3.017 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001189382882 1367007835 /nfs/dbraw/zinc/00/78/35/1367007835.db2.gz ZOPYIHPVKRLHHG-JENIJYKNSA-N 2 2 346.519 3.091 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001189382882 1367007837 /nfs/dbraw/zinc/00/78/37/1367007837.db2.gz ZOPYIHPVKRLHHG-JENIJYKNSA-N 2 2 346.519 3.091 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001189382882 1367007841 /nfs/dbraw/zinc/00/78/41/1367007841.db2.gz ZOPYIHPVKRLHHG-JENIJYKNSA-N 2 2 346.519 3.091 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001189382882 1367007844 /nfs/dbraw/zinc/00/78/44/1367007844.db2.gz ZOPYIHPVKRLHHG-JENIJYKNSA-N 2 2 346.519 3.091 20 30 EGEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001109824501 1367341955 /nfs/dbraw/zinc/34/19/55/1367341955.db2.gz BAOFSWOKJUZTDF-YSHGAJCASA-N 2 2 344.503 3.056 20 30 EGEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001109824501 1367341962 /nfs/dbraw/zinc/34/19/62/1367341962.db2.gz BAOFSWOKJUZTDF-YSHGAJCASA-N 2 2 344.503 3.056 20 30 EGEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001109824501 1367341968 /nfs/dbraw/zinc/34/19/68/1367341968.db2.gz BAOFSWOKJUZTDF-YSHGAJCASA-N 2 2 344.503 3.056 20 30 EGEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001109824501 1367341974 /nfs/dbraw/zinc/34/19/74/1367341974.db2.gz BAOFSWOKJUZTDF-YSHGAJCASA-N 2 2 344.503 3.056 20 30 EGEDLP CCCCCCC[N@@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001197125852 1368750032 /nfs/dbraw/zinc/75/00/32/1368750032.db2.gz NAHJQLIAGWYDPJ-KRWDZBQOSA-N 2 2 346.519 3.334 20 30 EGEDLP CCCCCCC[N@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001197125852 1368750066 /nfs/dbraw/zinc/75/00/66/1368750066.db2.gz NAHJQLIAGWYDPJ-KRWDZBQOSA-N 2 2 346.519 3.334 20 30 EGEDLP C=CCCCCC[NH+]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001112854148 1369048574 /nfs/dbraw/zinc/04/85/74/1369048574.db2.gz XKJMMMRJBJAGRH-UHFFFAOYSA-N 2 2 340.471 3.147 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C12CCC2 ZINC001203015295 1369954020 /nfs/dbraw/zinc/95/40/20/1369954020.db2.gz WFTKQJODOIPOON-MSOLQXFVSA-N 2 2 346.519 3.330 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C12CCC2 ZINC001203015295 1369954027 /nfs/dbraw/zinc/95/40/27/1369954027.db2.gz WFTKQJODOIPOON-MSOLQXFVSA-N 2 2 346.519 3.330 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001114462821 1369955929 /nfs/dbraw/zinc/95/59/29/1369955929.db2.gz ASNHRFFEJVSQIR-MNZLEMJZSA-N 2 2 340.471 3.193 20 30 EGEDLP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001114462821 1369955934 /nfs/dbraw/zinc/95/59/34/1369955934.db2.gz ASNHRFFEJVSQIR-MNZLEMJZSA-N 2 2 340.471 3.193 20 30 EGEDLP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C12CCC2 ZINC001203078002 1369974859 /nfs/dbraw/zinc/97/48/59/1369974859.db2.gz KEJXPWSKNTXIQR-QZTJIDSGSA-N 2 2 338.455 3.160 20 30 EGEDLP C=CCOc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001204299802 1370435974 /nfs/dbraw/zinc/43/59/74/1370435974.db2.gz FODKNXUPZQDAIQ-PMACEKPBSA-N 2 2 349.478 3.210 20 30 EGEDLP CCCCCCCCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205946110 1370919950 /nfs/dbraw/zinc/91/99/50/1370919950.db2.gz IPMPCJOKRYALJN-WOJBJXKFSA-N 2 2 334.504 3.320 20 30 EGEDLP CCCCCCCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205946110 1370919952 /nfs/dbraw/zinc/91/99/52/1370919952.db2.gz IPMPCJOKRYALJN-WOJBJXKFSA-N 2 2 334.504 3.320 20 30 EGEDLP CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001209578011 1372141249 /nfs/dbraw/zinc/14/12/49/1372141249.db2.gz JOZFUTGMVPZNND-DLBZAZTESA-N 2 2 346.519 3.381 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132090009 1375140082 /nfs/dbraw/zinc/14/00/82/1375140082.db2.gz BYTNMHJFGANCJK-AEFFLSMTSA-N 2 2 332.492 3.058 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132090009 1375140085 /nfs/dbraw/zinc/14/00/85/1375140085.db2.gz BYTNMHJFGANCJK-AEFFLSMTSA-N 2 2 332.492 3.058 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132090009 1375140087 /nfs/dbraw/zinc/14/00/87/1375140087.db2.gz BYTNMHJFGANCJK-AEFFLSMTSA-N 2 2 332.492 3.058 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132090009 1375140089 /nfs/dbraw/zinc/14/00/89/1375140089.db2.gz BYTNMHJFGANCJK-AEFFLSMTSA-N 2 2 332.492 3.058 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@H](NC(=O)CCc2[nH+]ccn2C)CC[C@H]1C ZINC001132195848 1375200905 /nfs/dbraw/zinc/20/09/05/1375200905.db2.gz WJFGPWAXJCGUFF-QZTJIDSGSA-N 2 2 346.519 3.068 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@H](NC(=O)CCc2[nH+]ccn2C)CC[C@H]1C ZINC001132195848 1375200908 /nfs/dbraw/zinc/20/09/08/1375200908.db2.gz WJFGPWAXJCGUFF-QZTJIDSGSA-N 2 2 346.519 3.068 20 30 EGEDLP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001132921210 1375645653 /nfs/dbraw/zinc/64/56/53/1375645653.db2.gz XUHCVSKLBRQTRC-WBVHZDCISA-N 2 2 340.471 3.217 20 30 EGEDLP CN(CCC#N)c1ccc(C[NH+]2CCC([N@H+](C)C3CC3)CC2)cc1 ZINC001231820987 1376319723 /nfs/dbraw/zinc/31/97/23/1376319723.db2.gz LHVIRDPNQSSYCO-UHFFFAOYSA-N 2 2 326.488 3.095 20 30 EGEDLP CN(CCC#N)c1ccc(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)cc1 ZINC001231820987 1376319731 /nfs/dbraw/zinc/31/97/31/1376319731.db2.gz LHVIRDPNQSSYCO-UHFFFAOYSA-N 2 2 326.488 3.095 20 30 EGEDLP N#Cc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(O)c1 ZINC001233387018 1376633395 /nfs/dbraw/zinc/63/33/95/1376633395.db2.gz QQNHDPLHYQJOCM-JOCHJYFZSA-N 2 2 347.462 3.362 20 30 EGEDLP C=CCOc1ccccc1C[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001139028215 1377819642 /nfs/dbraw/zinc/81/96/42/1377819642.db2.gz PUVMKXHGTQWBPS-PMACEKPBSA-N 2 2 349.478 3.210 20 30 EGEDLP C=CCn1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001139771244 1377949063 /nfs/dbraw/zinc/94/90/63/1377949063.db2.gz UJEOWFADBMFQDK-SFTDATJTSA-N 2 2 336.483 3.023 20 30 EGEDLP C=CCn1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001139771244 1377949065 /nfs/dbraw/zinc/94/90/65/1377949065.db2.gz UJEOWFADBMFQDK-SFTDATJTSA-N 2 2 336.483 3.023 20 30 EGEDLP C=CCn1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001139771244 1377949068 /nfs/dbraw/zinc/94/90/68/1377949068.db2.gz UJEOWFADBMFQDK-SFTDATJTSA-N 2 2 336.483 3.023 20 30 EGEDLP C=CCn1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001139771244 1377949072 /nfs/dbraw/zinc/94/90/72/1377949072.db2.gz UJEOWFADBMFQDK-SFTDATJTSA-N 2 2 336.483 3.023 20 30 EGEDLP CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001154093183 1380204676 /nfs/dbraw/zinc/20/46/76/1380204676.db2.gz UOZOELFCUZZSJJ-MSOLQXFVSA-N 2 2 348.535 3.243 20 30 EGEDLP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001154093183 1380204680 /nfs/dbraw/zinc/20/46/80/1380204680.db2.gz UOZOELFCUZZSJJ-MSOLQXFVSA-N 2 2 348.535 3.243 20 30 EGEDLP N#Cc1ccc2cc[nH+]c(NC[C@H]3CCC4(CC[NH2+]CC4)CO3)c2c1 ZINC001155383231 1380444172 /nfs/dbraw/zinc/44/41/72/1380444172.db2.gz MUXPBIIHSVYKIL-QGZVFWFLSA-N 2 2 336.439 3.067 20 30 EGEDLP C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248812 1380823670 /nfs/dbraw/zinc/82/36/70/1380823670.db2.gz YEZSEEJWAFJIND-GOSISDBHSA-N 2 2 334.508 3.236 20 30 EGEDLP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248812 1380823671 /nfs/dbraw/zinc/82/36/71/1380823671.db2.gz YEZSEEJWAFJIND-GOSISDBHSA-N 2 2 334.508 3.236 20 30 EGEDLP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001160422719 1382099690 /nfs/dbraw/zinc/09/96/90/1382099690.db2.gz CUXMBDZAAPFCQA-IBGZPJMESA-N 2 2 344.503 3.185 20 30 EGEDLP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001160422719 1382099694 /nfs/dbraw/zinc/09/96/94/1382099694.db2.gz CUXMBDZAAPFCQA-IBGZPJMESA-N 2 2 344.503 3.185 20 30 EGEDLP N#Cc1c[nH]c2cc[nH+]c(N3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)c12 ZINC001165417700 1383291822 /nfs/dbraw/zinc/29/18/22/1383291822.db2.gz GPGBQSMCIVEBNL-UTKZUKDTSA-N 2 2 343.434 3.018 20 30 EGEDLP CCCCCCC[NH2+]CCCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001168363644 1383883548 /nfs/dbraw/zinc/88/35/48/1383883548.db2.gz NWZSVMZCTGUAGM-UHFFFAOYSA-N 2 2 344.503 3.252 20 30 EGEDLP C[NH+]1CCN(c2ccc(NC(=[NH2+])c3ccc4ccccc4n3)cc2)CC1 ZINC001171048658 1384436209 /nfs/dbraw/zinc/43/62/09/1384436209.db2.gz QSUDERDFOGAXAX-UHFFFAOYSA-N 2 2 345.450 3.024 20 30 EGEDLP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001171475604 1384533941 /nfs/dbraw/zinc/53/39/41/1384533941.db2.gz MBWRBJVCGPMRTE-INIZCTEOSA-N 2 2 334.508 3.157 20 30 EGEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001171942540 1384690988 /nfs/dbraw/zinc/69/09/88/1384690988.db2.gz OMNSMDBORZPRPO-QGZVFWFLSA-N 2 2 340.471 3.327 20 30 EGEDLP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001175210284 1385221094 /nfs/dbraw/zinc/22/10/94/1385221094.db2.gz SZJAEMQZTUBEDM-HOTGVXAUSA-N 2 2 332.492 3.060 20 30 EGEDLP C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1[nH]c[nH+]c1C ZINC001177468522 1385968360 /nfs/dbraw/zinc/96/83/60/1385968360.db2.gz DOVZZNQXMBKPQR-UHFFFAOYSA-N 2 2 346.519 3.225 20 30 EGEDLP C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1[nH]c[nH+]c1C ZINC001177469253 1385968909 /nfs/dbraw/zinc/96/89/09/1385968909.db2.gz YJDJNMHEXSORJF-UHFFFAOYSA-N 2 2 346.519 3.225 20 30 EGEDLP CCCCCCC[NH2+][C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)[C@H]1C ZINC001179622988 1386534598 /nfs/dbraw/zinc/53/45/98/1386534598.db2.gz YOMRKOJOKVTLFI-BZSNNMDCSA-N 2 2 334.508 3.384 20 30 EGEDLP C=C(C)CCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001336975030 1389225710 /nfs/dbraw/zinc/22/57/10/1389225710.db2.gz XQFCKKZCZDZTKE-RBUKOAKNSA-N 2 2 335.536 3.138 20 30 EGEDLP C=C(C)CCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001336975030 1389225717 /nfs/dbraw/zinc/22/57/17/1389225717.db2.gz XQFCKKZCZDZTKE-RBUKOAKNSA-N 2 2 335.536 3.138 20 30 EGEDLP C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001753734889 1440477365 /nfs/dbraw/zinc/47/73/65/1440477365.db2.gz KZRHKTKWGAAOPD-MRXNPFEDSA-N 2 2 348.878 3.129 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@@](C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001754669658 1440657711 /nfs/dbraw/zinc/65/77/11/1440657711.db2.gz DXNZJSXKUFRKJO-FOIQADDNSA-N 2 2 340.471 3.192 20 30 EGEDLP C=CCC[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001754669658 1440657712 /nfs/dbraw/zinc/65/77/12/1440657712.db2.gz DXNZJSXKUFRKJO-FOIQADDNSA-N 2 2 340.471 3.192 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC001755416662 1440849244 /nfs/dbraw/zinc/84/92/44/1440849244.db2.gz TTXXHODTBOOYCK-KRWDZBQOSA-N 2 2 334.508 3.058 20 30 EGEDLP CCCCCCC[N@H+]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC001755416662 1440849245 /nfs/dbraw/zinc/84/92/45/1440849245.db2.gz TTXXHODTBOOYCK-KRWDZBQOSA-N 2 2 334.508 3.058 20 30 EGEDLP C=CCCC[NH2+]C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)(C)C ZINC001755826486 1440927441 /nfs/dbraw/zinc/92/74/41/1440927441.db2.gz RDJVPSSWYQYENN-QGZVFWFLSA-N 2 2 328.460 3.263 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3Cc4ccccc4C3)CC2)cc1 ZINC000184008164 235284927 /nfs/dbraw/zinc/28/49/27/235284927.db2.gz MXWZLTAOPXDWHP-UHFFFAOYSA-N 2 2 331.463 3.280 20 30 EGEDLP C[NH+](C)Cc1cnc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)s1 ZINC000347918215 141216958 /nfs/dbraw/zinc/21/69/58/141216958.db2.gz LZMCDFYDDFTJPI-UHFFFAOYSA-N 2 2 338.480 3.366 20 30 EGEDLP C[NH+](C)Cc1cnc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)s1 ZINC000347918215 141216959 /nfs/dbraw/zinc/21/69/59/141216959.db2.gz LZMCDFYDDFTJPI-UHFFFAOYSA-N 2 2 338.480 3.366 20 30 EGEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C#N)cc3OC(F)F)CC[C@H]21 ZINC000361674044 144348301 /nfs/dbraw/zinc/34/83/01/144348301.db2.gz BJGWUEUAFFJVLX-GDBMZVCRSA-N 2 2 335.398 3.076 20 30 EGEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C#N)cc3OC(F)F)CC[C@H]21 ZINC000361674044 144348302 /nfs/dbraw/zinc/34/83/02/144348302.db2.gz BJGWUEUAFFJVLX-GDBMZVCRSA-N 2 2 335.398 3.076 20 30 EGEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(C#N)cc3OC(F)F)CC[C@H]21 ZINC000361674044 144348303 /nfs/dbraw/zinc/34/83/03/144348303.db2.gz BJGWUEUAFFJVLX-GDBMZVCRSA-N 2 2 335.398 3.076 20 30 EGEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3OC(F)F)CC[C@H]21 ZINC000361674044 144348304 /nfs/dbraw/zinc/34/83/04/144348304.db2.gz BJGWUEUAFFJVLX-GDBMZVCRSA-N 2 2 335.398 3.076 20 30 EGEDLP C[C@H]1C[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)C[N@@H+]1C1CC1 ZINC000119563559 152214204 /nfs/dbraw/zinc/21/42/04/152214204.db2.gz SVGHDXYTCBOSML-VHJHTJHASA-N 2 2 339.483 3.463 20 30 EGEDLP C[C@H]1C[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)C[N@H+]1C1CC1 ZINC000119563559 152214207 /nfs/dbraw/zinc/21/42/07/152214207.db2.gz SVGHDXYTCBOSML-VHJHTJHASA-N 2 2 339.483 3.463 20 30 EGEDLP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)ccc1C#N ZINC000310736408 154145226 /nfs/dbraw/zinc/14/52/26/154145226.db2.gz DTPNEZKHAMQYMI-JXFKEZNVSA-N 2 2 335.451 3.319 20 30 EGEDLP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)ccc1C#N ZINC000310736408 154145227 /nfs/dbraw/zinc/14/52/27/154145227.db2.gz DTPNEZKHAMQYMI-JXFKEZNVSA-N 2 2 335.451 3.319 20 30 EGEDLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360658449 167381514 /nfs/dbraw/zinc/38/15/14/167381514.db2.gz SRNBCMLZBXJXMI-OXQOHEQNSA-N 2 2 327.472 3.026 20 30 EGEDLP Cc1ccc(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc1 ZINC000453418413 268035206 /nfs/dbraw/zinc/03/52/06/268035206.db2.gz JHYUIEXHORKPNX-UHFFFAOYSA-N 2 2 334.467 3.058 20 30 EGEDLP COc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1C#N ZINC000278692318 275266197 /nfs/dbraw/zinc/26/61/97/275266197.db2.gz MYZADMMICBHKAH-UHFFFAOYSA-N 2 2 337.423 3.314 20 30 EGEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000090003730 454261110 /nfs/dbraw/zinc/26/11/10/454261110.db2.gz IEJISZWCZNXFNG-SFHVURJKSA-N 2 2 338.455 3.015 20 30 EGEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000090003730 454261113 /nfs/dbraw/zinc/26/11/13/454261113.db2.gz IEJISZWCZNXFNG-SFHVURJKSA-N 2 2 338.455 3.015 20 30 EGEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154717441 454922635 /nfs/dbraw/zinc/92/26/35/454922635.db2.gz DBIRWWVANVLLHC-VQTJNVASSA-N 2 2 347.547 3.019 20 30 EGEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154717441 454922639 /nfs/dbraw/zinc/92/26/39/454922639.db2.gz DBIRWWVANVLLHC-VQTJNVASSA-N 2 2 347.547 3.019 20 30 EGEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000268124591 455595162 /nfs/dbraw/zinc/59/51/62/455595162.db2.gz NMXTYIGLFQJDEP-UZLBHIALSA-N 2 2 349.482 3.036 20 30 EGEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000268124591 455595166 /nfs/dbraw/zinc/59/51/66/455595166.db2.gz NMXTYIGLFQJDEP-UZLBHIALSA-N 2 2 349.482 3.036 20 30 EGEDLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(C#N)cc3Br)C2)C1 ZINC000292975301 455768474 /nfs/dbraw/zinc/76/84/74/455768474.db2.gz MRBFOMLIFOHHSH-KRWDZBQOSA-N 2 2 348.288 3.238 20 30 EGEDLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(C#N)cc3Br)C2)C1 ZINC000292975301 455768467 /nfs/dbraw/zinc/76/84/67/455768467.db2.gz MRBFOMLIFOHHSH-KRWDZBQOSA-N 2 2 348.288 3.238 20 30 EGEDLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(C#N)cc3Br)C2)C1 ZINC000292975301 455768469 /nfs/dbraw/zinc/76/84/69/455768469.db2.gz MRBFOMLIFOHHSH-KRWDZBQOSA-N 2 2 348.288 3.238 20 30 EGEDLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(C#N)cc3Br)C2)C1 ZINC000292975301 455768472 /nfs/dbraw/zinc/76/84/72/455768472.db2.gz MRBFOMLIFOHHSH-KRWDZBQOSA-N 2 2 348.288 3.238 20 30 EGEDLP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000271899387 455797615 /nfs/dbraw/zinc/79/76/15/455797615.db2.gz VFORVTCDGVRYMW-CWFSZBLJSA-N 2 2 341.499 3.172 20 30 EGEDLP CN(C(=[NH2+])NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1CC1 ZINC000273359003 456226023 /nfs/dbraw/zinc/22/60/23/456226023.db2.gz SIPDZKVRFOGPAU-OAHLLOKOSA-N 2 2 338.858 3.025 20 30 EGEDLP COc1cc(C[NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000353215009 456565461 /nfs/dbraw/zinc/56/54/61/456565461.db2.gz VQNQFBOQYJBYKF-JXFKEZNVSA-N 2 2 335.451 3.319 20 30 EGEDLP COc1cc(C[NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000353215009 456565465 /nfs/dbraw/zinc/56/54/65/456565465.db2.gz VQNQFBOQYJBYKF-JXFKEZNVSA-N 2 2 335.451 3.319 20 30 EGEDLP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000361465156 457740929 /nfs/dbraw/zinc/74/09/29/457740929.db2.gz UQCCJIPJFPOLRV-SXLOBPIMSA-N 2 2 329.488 3.368 20 30 EGEDLP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000361465156 457740932 /nfs/dbraw/zinc/74/09/32/457740932.db2.gz UQCCJIPJFPOLRV-SXLOBPIMSA-N 2 2 329.488 3.368 20 30 EGEDLP C=CCOc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1OC ZINC000376728097 458377244 /nfs/dbraw/zinc/37/72/44/458377244.db2.gz IQAZDVFBGXVFBA-UHFFFAOYSA-N 2 2 327.428 3.083 20 30 EGEDLP CC(C)[N@@H+]1CCc2nc(C[NH2+]Cc3ccc(C#N)s3)sc2C1 ZINC000421354911 458411915 /nfs/dbraw/zinc/41/19/15/458411915.db2.gz XSLYOQRQLFVRPP-UHFFFAOYSA-N 2 2 332.498 3.133 20 30 EGEDLP CC(C)[N@H+]1CCc2nc(C[NH2+]Cc3ccc(C#N)s3)sc2C1 ZINC000421354911 458411918 /nfs/dbraw/zinc/41/19/18/458411918.db2.gz XSLYOQRQLFVRPP-UHFFFAOYSA-N 2 2 332.498 3.133 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000496007806 459036007 /nfs/dbraw/zinc/03/60/07/459036007.db2.gz CEXIEZJYBKBUCK-DOTOQJQBSA-N 2 2 337.508 3.014 20 30 EGEDLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CC[C@H](C#N)C3)[nH+]c12 ZINC000442844999 459044463 /nfs/dbraw/zinc/04/44/63/459044463.db2.gz XESIVGDKEDVPST-GXTWGEPZSA-N 2 2 347.260 3.230 20 30 EGEDLP N#CCCCOc1cccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000594520919 459078299 /nfs/dbraw/zinc/07/82/99/459078299.db2.gz RORNDKGVBIMNMH-PMACEKPBSA-N 2 2 327.472 3.476 20 30 EGEDLP N#CCCCOc1cccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000594520919 459078306 /nfs/dbraw/zinc/07/83/06/459078306.db2.gz RORNDKGVBIMNMH-PMACEKPBSA-N 2 2 327.472 3.476 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC000496458191 459199619 /nfs/dbraw/zinc/19/96/19/459199619.db2.gz FUOKHINKXHMPSR-WBVHZDCISA-N 2 2 337.508 3.014 20 30 EGEDLP COc1ccc([C@H]([NH2+]CCc2ccc(C#N)cc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000596652447 459716024 /nfs/dbraw/zinc/71/60/24/459716024.db2.gz UMAQSJPNHBUZSC-SFTDATJTSA-N 2 2 335.451 3.192 20 30 EGEDLP CO[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593693359 459953967 /nfs/dbraw/zinc/95/39/67/459953967.db2.gz VWSFBCGHAGFRQM-UXHICEINSA-N 2 2 327.472 3.070 20 30 EGEDLP C[C@H](Cc1ccc(O)cc1)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593695321 459956119 /nfs/dbraw/zinc/95/61/19/459956119.db2.gz KUJQHAGKVOHBOO-QGZVFWFLSA-N 2 2 349.478 3.449 20 30 EGEDLP COC[C@@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CCCC1 ZINC000593720029 459962376 /nfs/dbraw/zinc/96/23/76/459962376.db2.gz FBWLUFHCCVGZNQ-OAQYLSRUSA-N 2 2 341.499 3.317 20 30 EGEDLP C[C@@H]1C[NH+](CCC[NH2+][C@H]2CCCc3cc(C#N)ccc32)C[C@@H](C)O1 ZINC000611390088 460352537 /nfs/dbraw/zinc/35/25/37/460352537.db2.gz BBWCRTMNJVTJKT-QINHECLXSA-N 2 2 327.472 3.025 20 30 EGEDLP Cc1noc(C)c1[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000611438570 460365521 /nfs/dbraw/zinc/36/55/21/460365521.db2.gz BUBIUZPKANSKRM-AWEZNQCLSA-N 2 2 338.455 3.478 20 30 EGEDLP C=CCc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc(OC)c1O ZINC000655855996 461504551 /nfs/dbraw/zinc/50/45/51/461504551.db2.gz KHWYMEURSANPDF-MSOLQXFVSA-N 2 2 330.472 3.236 20 30 EGEDLP C=CCc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc(OC)c1O ZINC000655855996 461504562 /nfs/dbraw/zinc/50/45/62/461504562.db2.gz KHWYMEURSANPDF-MSOLQXFVSA-N 2 2 330.472 3.236 20 30 EGEDLP Cc1cc(C)cc(NC(=[NH2+])NCC[N@@H+]2CCc3sccc3C2)c1 ZINC000104178232 1293019628 /nfs/dbraw/zinc/01/96/28/1293019628.db2.gz OCOGVJWXJPHLDD-UHFFFAOYSA-N 2 2 328.485 3.150 20 30 EGEDLP Cc1cc(C)cc(NC(=[NH2+])NCC[N@H+]2CCc3sccc3C2)c1 ZINC000104178232 1293019636 /nfs/dbraw/zinc/01/96/36/1293019636.db2.gz OCOGVJWXJPHLDD-UHFFFAOYSA-N 2 2 328.485 3.150 20 30 EGEDLP CCc1ccc(CNC(=[NH+]C)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000261935823 1296610189 /nfs/dbraw/zinc/61/01/89/1296610189.db2.gz CJXCDSMQTAIMQI-WMLDXEAASA-N 2 2 345.516 3.166 20 30 EGEDLP CCC(CC)[C@@H](CNC(=[NH2+])Nc1ccc(C)c(C)c1)[NH+]1CCOCC1 ZINC000303791327 1296857435 /nfs/dbraw/zinc/85/74/35/1296857435.db2.gz XIVXFLPLSFQCIW-LJQANCHMSA-N 2 2 346.519 3.167 20 30 EGEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)nc1 ZINC000877458952 1299314335 /nfs/dbraw/zinc/31/43/35/1299314335.db2.gz DNXMZBGGRBMKLX-WIYYLYMNSA-N 2 2 332.451 3.411 20 30 EGEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)nc1 ZINC000877458952 1299314349 /nfs/dbraw/zinc/31/43/49/1299314349.db2.gz DNXMZBGGRBMKLX-WIYYLYMNSA-N 2 2 332.451 3.411 20 30 EGEDLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(C#N)ccc2Br)C1 ZINC000894495848 1308922098 /nfs/dbraw/zinc/92/20/98/1308922098.db2.gz LLJIPEPJAWHAIW-PBHICJAKSA-N 2 2 348.288 3.237 20 30 EGEDLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(C#N)ccc2Br)C1 ZINC000894495848 1308922102 /nfs/dbraw/zinc/92/21/02/1308922102.db2.gz LLJIPEPJAWHAIW-PBHICJAKSA-N 2 2 348.288 3.237 20 30 EGEDLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc(C#N)ccc2Br)C1 ZINC000894495848 1308922106 /nfs/dbraw/zinc/92/21/06/1308922106.db2.gz LLJIPEPJAWHAIW-PBHICJAKSA-N 2 2 348.288 3.237 20 30 EGEDLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc(C#N)ccc2Br)C1 ZINC000894495848 1308922109 /nfs/dbraw/zinc/92/21/09/1308922109.db2.gz LLJIPEPJAWHAIW-PBHICJAKSA-N 2 2 348.288 3.237 20 30 EGEDLP C#CCOc1cccc(Cl)c1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000809752555 1317890825 /nfs/dbraw/zinc/89/08/25/1317890825.db2.gz GFHYUJSBFAPXEY-UHFFFAOYSA-N 2 2 331.847 3.379 20 30 EGEDLP C#CCOc1cccc(Cl)c1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000809752555 1317890833 /nfs/dbraw/zinc/89/08/33/1317890833.db2.gz GFHYUJSBFAPXEY-UHFFFAOYSA-N 2 2 331.847 3.379 20 30 EGEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021612868 1318459784 /nfs/dbraw/zinc/45/97/84/1318459784.db2.gz HDKGRZDJYOLORZ-DNVCBOLYSA-N 2 2 338.455 3.066 20 30 EGEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021612868 1318459792 /nfs/dbraw/zinc/45/97/92/1318459792.db2.gz HDKGRZDJYOLORZ-DNVCBOLYSA-N 2 2 338.455 3.066 20 30 EGEDLP CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)c2c[nH+]ccc2N)ccc1OC ZINC000817917037 1319459686 /nfs/dbraw/zinc/45/96/86/1319459686.db2.gz DKUCBAGDRHHCOZ-UKRRQHHQSA-N 2 2 340.427 3.035 20 30 EGEDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(OCC#N)cc1 ZINC000817942102 1319469492 /nfs/dbraw/zinc/46/94/92/1319469492.db2.gz MLDHSYSNCHHPSA-FOIQADDNSA-N 2 2 338.455 3.006 20 30 EGEDLP CN(C)C(NCc1ccccc1)=[NH+]C[C@@H](c1ccsc1)[NH+](C)C ZINC000849059121 1322061992 /nfs/dbraw/zinc/06/19/92/1322061992.db2.gz CSLRSMBNHWKTJY-KRWDZBQOSA-N 2 2 330.501 3.058 20 30 EGEDLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cc(C#N)ccc2Br)C1 ZINC000921817180 1322403945 /nfs/dbraw/zinc/40/39/45/1322403945.db2.gz JBDAXSNMZYSDGR-GJZGRUSLSA-N 2 2 336.277 3.283 20 30 EGEDLP N#Cc1ccc(Br)c(C[NH2+]CCCNc2cccc[nH+]2)c1 ZINC000921822864 1322405604 /nfs/dbraw/zinc/40/56/04/1322405604.db2.gz YUNBSBSEWSSISN-UHFFFAOYSA-N 2 2 345.244 3.308 20 30 EGEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814366 1323718322 /nfs/dbraw/zinc/71/83/22/1323718322.db2.gz RRXIIJQTIAQMTO-QGZVFWFLSA-N 2 2 349.906 3.085 20 30 EGEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814366 1323718324 /nfs/dbraw/zinc/71/83/24/1323718324.db2.gz RRXIIJQTIAQMTO-QGZVFWFLSA-N 2 2 349.906 3.085 20 30 EGEDLP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001025243697 1324040323 /nfs/dbraw/zinc/04/03/23/1324040323.db2.gz DMSOPZWIFBBDNT-RBUKOAKNSA-N 2 2 338.455 3.208 20 30 EGEDLP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001025243697 1324040328 /nfs/dbraw/zinc/04/03/28/1324040328.db2.gz DMSOPZWIFBBDNT-RBUKOAKNSA-N 2 2 338.455 3.208 20 30 EGEDLP C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000948372318 1333498777 /nfs/dbraw/zinc/49/87/77/1333498777.db2.gz BZCHJQXJCUHITC-SFHVURJKSA-N 2 2 340.471 3.145 20 30 EGEDLP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000948372318 1333498779 /nfs/dbraw/zinc/49/87/79/1333498779.db2.gz BZCHJQXJCUHITC-SFHVURJKSA-N 2 2 340.471 3.145 20 30 EGEDLP C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948554171 1333573321 /nfs/dbraw/zinc/57/33/21/1333573321.db2.gz RMIAMWXAUCLRBL-INIZCTEOSA-N 2 2 326.444 3.066 20 30 EGEDLP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948554171 1333573322 /nfs/dbraw/zinc/57/33/22/1333573322.db2.gz RMIAMWXAUCLRBL-INIZCTEOSA-N 2 2 326.444 3.066 20 30 EGEDLP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001034702022 1342701395 /nfs/dbraw/zinc/70/13/95/1342701395.db2.gz OYZWJFKBIRECLD-IYARVYRRSA-N 2 2 338.455 3.079 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039222229 1344939626 /nfs/dbraw/zinc/93/96/26/1344939626.db2.gz DLMVVAJALPFHAE-ZWKOTPCHSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039222229 1344939628 /nfs/dbraw/zinc/93/96/28/1344939628.db2.gz DLMVVAJALPFHAE-ZWKOTPCHSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001040263408 1345401764 /nfs/dbraw/zinc/40/17/64/1345401764.db2.gz DYPLCFUVARVNJO-FQEVSTJZSA-N 2 2 338.455 3.067 20 30 EGEDLP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001040263408 1345401767 /nfs/dbraw/zinc/40/17/67/1345401767.db2.gz DYPLCFUVARVNJO-FQEVSTJZSA-N 2 2 338.455 3.067 20 30 EGEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC001044802746 1346431296 /nfs/dbraw/zinc/43/12/96/1346431296.db2.gz YQBPLJNTVKVHDA-FUHWJXTLSA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1CC ZINC001087782420 1359642122 /nfs/dbraw/zinc/64/21/22/1359642122.db2.gz RZOVLYHPKTXVSV-RBUKOAKNSA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1CC ZINC001087782420 1359642123 /nfs/dbraw/zinc/64/21/23/1359642123.db2.gz RZOVLYHPKTXVSV-RBUKOAKNSA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001099252488 1363715257 /nfs/dbraw/zinc/71/52/57/1363715257.db2.gz WOZDENBTXRKROW-IRXDYDNUSA-N 2 2 332.492 3.017 20 30 EGEDLP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001099252488 1363715260 /nfs/dbraw/zinc/71/52/60/1363715260.db2.gz WOZDENBTXRKROW-IRXDYDNUSA-N 2 2 332.492 3.017 20 30 EGEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001103118517 1365392471 /nfs/dbraw/zinc/39/24/71/1365392471.db2.gz BVINNXGBBFQELA-QRVBRYPASA-N 2 2 346.519 3.121 20 30 EGEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001103118517 1365392475 /nfs/dbraw/zinc/39/24/75/1365392475.db2.gz BVINNXGBBFQELA-QRVBRYPASA-N 2 2 346.519 3.121 20 30 EGEDLP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CCCCC1 ZINC001115725482 1370706385 /nfs/dbraw/zinc/70/63/85/1370706385.db2.gz YFQVRJJMFTYISJ-INIZCTEOSA-N 2 2 344.503 3.205 20 30 EGEDLP Cn1cc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1C#N ZINC001207110452 1371296962 /nfs/dbraw/zinc/29/69/62/1371296962.db2.gz NHNLVPKKAYUBML-QFIPXVFZSA-N 2 2 348.494 3.385 20 30 EGEDLP Cn1cc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1C#N ZINC001207110452 1371296965 /nfs/dbraw/zinc/29/69/65/1371296965.db2.gz NHNLVPKKAYUBML-QFIPXVFZSA-N 2 2 348.494 3.385 20 30 EGEDLP Cn1cc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1C#N ZINC001207110452 1371296971 /nfs/dbraw/zinc/29/69/71/1371296971.db2.gz NHNLVPKKAYUBML-QFIPXVFZSA-N 2 2 348.494 3.385 20 30 EGEDLP Cn1cc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1C#N ZINC001207110452 1371296974 /nfs/dbraw/zinc/29/69/74/1371296974.db2.gz NHNLVPKKAYUBML-QFIPXVFZSA-N 2 2 348.494 3.385 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001208364720 1371736734 /nfs/dbraw/zinc/73/67/34/1371736734.db2.gz HLURTFRGWMVYRZ-BRWVUGGUSA-N 2 2 332.492 3.064 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001208364720 1371736738 /nfs/dbraw/zinc/73/67/38/1371736738.db2.gz HLURTFRGWMVYRZ-BRWVUGGUSA-N 2 2 332.492 3.064 20 30 EGEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCCCCC)CC[C@@H]1C ZINC001132365694 1375330234 /nfs/dbraw/zinc/33/02/34/1375330234.db2.gz OFFJIHDPDBUFHK-DLBZAZTESA-N 2 2 343.943 3.220 20 30 EGEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)C[N@H+](C)CCCCCC)CC[C@@H]1C ZINC001132365694 1375330240 /nfs/dbraw/zinc/33/02/40/1375330240.db2.gz OFFJIHDPDBUFHK-DLBZAZTESA-N 2 2 343.943 3.220 20 30 EGEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCCCCC)CC[C@@H]1C ZINC001132365694 1375330244 /nfs/dbraw/zinc/33/02/44/1375330244.db2.gz OFFJIHDPDBUFHK-DLBZAZTESA-N 2 2 343.943 3.220 20 30 EGEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)C[NH+](C)CCCCCC)CC[C@@H]1C ZINC001132365694 1375330249 /nfs/dbraw/zinc/33/02/49/1375330249.db2.gz OFFJIHDPDBUFHK-DLBZAZTESA-N 2 2 343.943 3.220 20 30 EGEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001227459940 1375433447 /nfs/dbraw/zinc/43/34/47/1375433447.db2.gz WGJVWNUOZNRLFR-GVDBMIGSSA-N 2 2 340.471 3.320 20 30 EGEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132781422 1375560579 /nfs/dbraw/zinc/56/05/79/1375560579.db2.gz BAHHWDWDYLINGB-QZTJIDSGSA-N 2 2 346.519 3.163 20 30 EGEDLP C(#Cc1ccccc1C[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1)c1ccccc1 ZINC001235114592 1376846932 /nfs/dbraw/zinc/84/69/32/1376846932.db2.gz CTZJMSNYSKZMKT-HSZRJFAPSA-N 2 2 346.474 3.041 20 30 EGEDLP C(#Cc1ccccc1C[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1)c1ccccc1 ZINC001235114592 1376846934 /nfs/dbraw/zinc/84/69/34/1376846934.db2.gz CTZJMSNYSKZMKT-HSZRJFAPSA-N 2 2 346.474 3.041 20 30 EGEDLP COc1ccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c(C#N)c1 ZINC001137706584 1377600775 /nfs/dbraw/zinc/60/07/75/1377600775.db2.gz IQDNEUUQUSOYQT-UHFFFAOYSA-N 2 2 327.472 3.406 20 30 EGEDLP COc1ccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c(C#N)c1 ZINC001137706584 1377600777 /nfs/dbraw/zinc/60/07/77/1377600777.db2.gz IQDNEUUQUSOYQT-UHFFFAOYSA-N 2 2 327.472 3.406 20 30 EGEDLP C=CCCCC[N@@H+](C)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139764726 1377948190 /nfs/dbraw/zinc/94/81/90/1377948190.db2.gz NCUUZWOEABXPTQ-UHFFFAOYSA-N 2 2 332.488 3.186 20 30 EGEDLP C=CCCCC[N@H+](C)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139764726 1377948191 /nfs/dbraw/zinc/94/81/91/1377948191.db2.gz NCUUZWOEABXPTQ-UHFFFAOYSA-N 2 2 332.488 3.186 20 30 EGEDLP C=CCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146714206 1378905748 /nfs/dbraw/zinc/90/57/48/1378905748.db2.gz OLRLPNLGAKACOM-QZTJIDSGSA-N 2 2 334.508 3.283 20 30 EGEDLP Cc1cnc(-n2c[nH+]cc2C2CC[NH2+]CC2)c(C#C[Si](C)(C)C)c1 ZINC001155063440 1380401062 /nfs/dbraw/zinc/40/10/62/1380401062.db2.gz AUSCNEQSOINXCZ-UHFFFAOYSA-N 2 2 338.531 3.272 20 30 EGEDLP N#Cc1cc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)ccc1N1CC[NH2+]CC1 ZINC001159749220 1381888610 /nfs/dbraw/zinc/88/86/10/1381888610.db2.gz ZJUIXURLPFATKL-UHFFFAOYSA-N 2 2 344.422 3.102 20 30 EGEDLP CC(Nc1nc2nc(Cl)ccc2[nH]1)=[NH+]Cc1cccc(C[NH3+])c1 ZINC001163473538 1383059219 /nfs/dbraw/zinc/05/92/19/1383059219.db2.gz QMMSFXDRHOHKHV-UHFFFAOYSA-N 2 2 328.807 3.101 20 30 EGEDLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+]([C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171224683 1384473009 /nfs/dbraw/zinc/47/30/09/1384473009.db2.gz UEMHMUQFMNUJJY-UTKZUKDTSA-N 2 2 341.499 3.064 20 30 EGEDLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171224683 1384473011 /nfs/dbraw/zinc/47/30/11/1384473011.db2.gz UEMHMUQFMNUJJY-UTKZUKDTSA-N 2 2 341.499 3.064 20 30 EGEDLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CCOc2ccccc2C#N)[nH+]1 ZINC001319388784 1386098640 /nfs/dbraw/zinc/09/86/40/1386098640.db2.gz LSRGFCOLEYOBDV-SFHVURJKSA-N 2 2 336.439 3.217 20 30 EGEDLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CCOc2ccccc2C#N)[nH+]1 ZINC001319388784 1386098643 /nfs/dbraw/zinc/09/86/43/1386098643.db2.gz LSRGFCOLEYOBDV-SFHVURJKSA-N 2 2 336.439 3.217 20 30 EGEDLP C=C(C)CC[NH2+]CCCCCCNC(=O)c1cccc2[nH+]ccn21 ZINC001179009726 1386375046 /nfs/dbraw/zinc/37/50/46/1386375046.db2.gz OJSXUTDKPDYBRZ-UHFFFAOYSA-N 2 2 328.460 3.180 20 30 EGEDLP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001182579272 1387190075 /nfs/dbraw/zinc/19/00/75/1387190075.db2.gz AWRTZRICRTYLIG-GOSISDBHSA-N 2 2 340.471 3.193 20 30 EGEDLP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001342754949 1390650061 /nfs/dbraw/zinc/65/00/61/1390650061.db2.gz NFTFLHOATYNHEY-HZPDHXFCSA-N 2 2 332.492 3.028 20 30 EGEDLP C=C(C)CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001755737759 1440911196 /nfs/dbraw/zinc/91/11/96/1440911196.db2.gz MUELHWDQSUNULR-GDBMZVCRSA-N 2 2 326.444 3.017 20 30 EGEDLP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C(C)(C)C ZINC001755826173 1440927425 /nfs/dbraw/zinc/92/74/25/1440927425.db2.gz MGZIMUUDTLDZQX-IRXDYDNUSA-N 2 2 334.508 3.167 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(Br)c1 ZINC000181140267 234096210 /nfs/dbraw/zinc/09/62/10/234096210.db2.gz BUHCWJXHHGALMP-UHFFFAOYSA-N 2 2 345.244 3.354 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3cccs3)CC2)cc1 ZINC000181405682 234176398 /nfs/dbraw/zinc/17/63/98/234176398.db2.gz ZSAXVKIQHISABQ-UHFFFAOYSA-N 2 2 325.481 3.416 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@@H]4OCC[C@@H]43)CC2)cc1 ZINC000181902051 234374185 /nfs/dbraw/zinc/37/41/85/234374185.db2.gz WHUVVANWBZCBDS-HKBOAZHASA-N 2 2 339.483 3.070 20 30 EGEDLP C=CCc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc(OC)c1O ZINC000092648554 218155842 /nfs/dbraw/zinc/15/58/42/218155842.db2.gz LQRKHMUEQRNUPJ-UHFFFAOYSA-N 2 2 327.428 3.163 20 30 EGEDLP COc1ccc(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181387426 533496620 /nfs/dbraw/zinc/49/66/20/533496620.db2.gz GQGKGXQOFQDYRP-UHFFFAOYSA-N 2 2 349.478 3.364 20 30 EGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(C#N)o2)C[C@H](C)O1 ZINC000237621454 141010844 /nfs/dbraw/zinc/01/08/44/141010844.db2.gz ZCUYLSSYPBLUHD-IYBDPMFKSA-N 2 2 339.439 3.050 20 30 EGEDLP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(C#N)o2)C[C@H](C)O1 ZINC000237621454 141010849 /nfs/dbraw/zinc/01/08/49/141010849.db2.gz ZCUYLSSYPBLUHD-IYBDPMFKSA-N 2 2 339.439 3.050 20 30 EGEDLP Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1C#N ZINC000248844127 163039285 /nfs/dbraw/zinc/03/92/85/163039285.db2.gz MOWSWMXITIBQMZ-RBBKRZOGSA-N 2 2 348.494 3.383 20 30 EGEDLP Cn1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1C#N ZINC000248844127 163039289 /nfs/dbraw/zinc/03/92/89/163039289.db2.gz MOWSWMXITIBQMZ-RBBKRZOGSA-N 2 2 348.494 3.383 20 30 EGEDLP Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1C#N ZINC000248844127 163039291 /nfs/dbraw/zinc/03/92/91/163039291.db2.gz MOWSWMXITIBQMZ-RBBKRZOGSA-N 2 2 348.494 3.383 20 30 EGEDLP Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1C#N ZINC000248844127 163039294 /nfs/dbraw/zinc/03/92/94/163039294.db2.gz MOWSWMXITIBQMZ-RBBKRZOGSA-N 2 2 348.494 3.383 20 30 EGEDLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000359888870 167258554 /nfs/dbraw/zinc/25/85/54/167258554.db2.gz WHDKVXLAGPLPAU-SFHVURJKSA-N 2 2 335.879 3.144 20 30 EGEDLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000359888870 167258557 /nfs/dbraw/zinc/25/85/57/167258557.db2.gz WHDKVXLAGPLPAU-SFHVURJKSA-N 2 2 335.879 3.144 20 30 EGEDLP C[NH+](C)[C@]1(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CCSC1 ZINC000360655566 167380329 /nfs/dbraw/zinc/38/03/29/167380329.db2.gz DKNLOMHIVXTYRW-OALUTQOASA-N 2 2 329.513 3.353 20 30 EGEDLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)C[C@H](C)O1 ZINC000159586015 225245511 /nfs/dbraw/zinc/24/55/11/225245511.db2.gz TVWYVKWBPRLJAC-IYBDPMFKSA-N 2 2 345.462 3.019 20 30 EGEDLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)C[C@H](C)O1 ZINC000159586015 225245515 /nfs/dbraw/zinc/24/55/15/225245515.db2.gz TVWYVKWBPRLJAC-IYBDPMFKSA-N 2 2 345.462 3.019 20 30 EGEDLP CCC(CC)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)OC ZINC000291810102 266000434 /nfs/dbraw/zinc/00/04/34/266000434.db2.gz YEBCIJIBXGMERI-UHFFFAOYSA-N 2 2 329.488 3.317 20 30 EGEDLP CC[NH+](CC)CCOc1ccc(CNc2cc(C)[nH+]cc2C#N)cc1 ZINC000425211923 267059073 /nfs/dbraw/zinc/05/90/73/267059073.db2.gz YUMUGBKTSHJUMP-UHFFFAOYSA-N 2 2 338.455 3.016 20 30 EGEDLP CC1(C)C[N@@H+](C2(C[NH2+]Cc3cccc(C#N)c3)CCCCC2)CCO1 ZINC000538400141 314244431 /nfs/dbraw/zinc/24/44/31/314244431.db2.gz ISHNPMFQDRCMOR-UHFFFAOYSA-N 2 2 341.499 3.462 20 30 EGEDLP CC1(C)C[N@H+](C2(C[NH2+]Cc3cccc(C#N)c3)CCCCC2)CCO1 ZINC000538400141 314244434 /nfs/dbraw/zinc/24/44/34/314244434.db2.gz ISHNPMFQDRCMOR-UHFFFAOYSA-N 2 2 341.499 3.462 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(Br)cc2O)CC1 ZINC000185384083 455552082 /nfs/dbraw/zinc/55/20/82/455552082.db2.gz JEDRVKDCNNIGGB-GFCCVEGCSA-N 2 2 339.277 3.456 20 30 EGEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)Cc3ccc(C#N)cc3)c2cc1C ZINC000051322713 454618598 /nfs/dbraw/zinc/61/85/98/454618598.db2.gz WACOLGKHYAEFKJ-IBGZPJMESA-N 2 2 348.450 3.018 20 30 EGEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)Cc3ccc(C#N)cc3)c2cc1C ZINC000051322713 454618600 /nfs/dbraw/zinc/61/86/00/454618600.db2.gz WACOLGKHYAEFKJ-IBGZPJMESA-N 2 2 348.450 3.018 20 30 EGEDLP C=CCc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc(OC)c1O ZINC000093865891 454741609 /nfs/dbraw/zinc/74/16/09/454741609.db2.gz UWVSNAGOKJUTTQ-GOSISDBHSA-N 2 2 340.423 3.178 20 30 EGEDLP C=CCc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc(OC)c1O ZINC000093865891 454741610 /nfs/dbraw/zinc/74/16/10/454741610.db2.gz UWVSNAGOKJUTTQ-GOSISDBHSA-N 2 2 340.423 3.178 20 30 EGEDLP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1OCCCC#N ZINC000237362995 455177000 /nfs/dbraw/zinc/17/70/00/455177000.db2.gz XKHGYYKQDFQXIG-ROUUACIJSA-N 2 2 343.471 3.094 20 30 EGEDLP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1OCCCC#N ZINC000237362995 455177006 /nfs/dbraw/zinc/17/70/06/455177006.db2.gz XKHGYYKQDFQXIG-ROUUACIJSA-N 2 2 343.471 3.094 20 30 EGEDLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nccs1 ZINC000186726987 455828997 /nfs/dbraw/zinc/82/89/97/455828997.db2.gz DCYTVHBEGIQNGR-OAHLLOKOSA-N 2 2 340.496 3.372 20 30 EGEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000272098847 455846411 /nfs/dbraw/zinc/84/64/11/455846411.db2.gz GEVARZMFYDNNGT-UHFFFAOYSA-N 2 2 330.472 3.382 20 30 EGEDLP C=CC[NH+](CC=C)[C@@H](CN[C@@H](c1[nH]cc[nH+]1)c1cccnc1)C(C)C ZINC000279985123 455879311 /nfs/dbraw/zinc/87/93/11/455879311.db2.gz DVXJASIFYDAOLH-RBUKOAKNSA-N 2 2 339.487 3.182 20 30 EGEDLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cccc(C#N)c1 ZINC000272314306 455910575 /nfs/dbraw/zinc/91/05/75/455910575.db2.gz UOLFVESDCZFFNL-KXBFYZLASA-N 2 2 335.455 3.267 20 30 EGEDLP COc1cc(C[NH2+]CCCn2c(C)[nH+]c3ccccc32)ccc1C#N ZINC000281691121 456293870 /nfs/dbraw/zinc/29/38/70/456293870.db2.gz NABBMTBXAFBGMO-UHFFFAOYSA-N 2 2 334.423 3.405 20 30 EGEDLP COc1cc(C#N)ccc1C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348326989 456624422 /nfs/dbraw/zinc/62/44/22/456624422.db2.gz TZXYYHNIVISEDI-SFTDATJTSA-N 2 2 347.462 3.131 20 30 EGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277116978 456686160 /nfs/dbraw/zinc/68/61/60/456686160.db2.gz HNMRAMYCXUDGBE-IAGOWNOFSA-N 2 2 349.544 3.067 20 30 EGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277116978 456686168 /nfs/dbraw/zinc/68/61/68/456686168.db2.gz HNMRAMYCXUDGBE-IAGOWNOFSA-N 2 2 349.544 3.067 20 30 EGEDLP CC(C)Cc1ccc([C@H](C[NH2+]Cc2cc(C#N)n(C)c2)[NH+](C)C)cc1 ZINC000342305429 457225647 /nfs/dbraw/zinc/22/56/47/457225647.db2.gz VSBVXPSYHSUROH-NRFANRHFSA-N 2 2 338.499 3.488 20 30 EGEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000358136804 457808359 /nfs/dbraw/zinc/80/83/59/457808359.db2.gz GBBXEZVIQXUMFI-CRBUXINTSA-N 2 2 339.483 3.321 20 30 EGEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000358136804 457808364 /nfs/dbraw/zinc/80/83/64/457808364.db2.gz GBBXEZVIQXUMFI-CRBUXINTSA-N 2 2 339.483 3.321 20 30 EGEDLP CO[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)CC(C)C ZINC000417383176 458362426 /nfs/dbraw/zinc/36/24/26/458362426.db2.gz WWLYHLQOCKCOAD-FQEVSTJZSA-N 2 2 329.488 3.173 20 30 EGEDLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000421339400 458411110 /nfs/dbraw/zinc/41/11/10/458411110.db2.gz GAEOETLKOBYIBZ-HNNXBMFYSA-N 2 2 338.430 3.408 20 30 EGEDLP C=CCC[C@@H]([NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000423541213 458454950 /nfs/dbraw/zinc/45/49/50/458454950.db2.gz AMHQEGXVKIGVGV-HXUWFJFHSA-N 3 2 327.516 3.314 20 30 EGEDLP N#Cc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)nc1 ZINC000567484358 459114577 /nfs/dbraw/zinc/11/45/77/459114577.db2.gz LSSMUKGPFIDLJP-NRFANRHFSA-N 2 2 332.451 3.051 20 30 EGEDLP N#Cc1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)nc1 ZINC000567484358 459114580 /nfs/dbraw/zinc/11/45/80/459114580.db2.gz LSSMUKGPFIDLJP-NRFANRHFSA-N 2 2 332.451 3.051 20 30 EGEDLP N#Cc1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)nc1 ZINC000567484358 459114583 /nfs/dbraw/zinc/11/45/83/459114583.db2.gz LSSMUKGPFIDLJP-NRFANRHFSA-N 2 2 332.451 3.051 20 30 EGEDLP N#Cc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)nc1 ZINC000567484358 459114587 /nfs/dbraw/zinc/11/45/87/459114587.db2.gz LSSMUKGPFIDLJP-NRFANRHFSA-N 2 2 332.451 3.051 20 30 EGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@]1(C)CCCO1 ZINC000593721912 459964070 /nfs/dbraw/zinc/96/40/70/459964070.db2.gz NQGPAOXFCLSYHG-JXFKEZNVSA-N 2 2 327.472 3.070 20 30 EGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000602569214 460001859 /nfs/dbraw/zinc/00/18/59/460001859.db2.gz PIDBLLJUPUZSFB-QWFCFKBJSA-N 2 2 341.499 3.338 20 30 EGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000602569214 460001869 /nfs/dbraw/zinc/00/18/69/460001869.db2.gz PIDBLLJUPUZSFB-QWFCFKBJSA-N 2 2 341.499 3.338 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C)c(Br)cn2)CC1 ZINC000623407446 460532283 /nfs/dbraw/zinc/53/22/83/460532283.db2.gz GFDGUAONNCXPPS-UHFFFAOYSA-N 2 2 338.293 3.283 20 30 EGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660674957 461919675 /nfs/dbraw/zinc/91/96/75/461919675.db2.gz VPDOPRIKKAMYBV-SFHVURJKSA-N 2 2 343.515 3.054 20 30 EGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)c1cc(Br)ccc1O ZINC000328050271 1297253679 /nfs/dbraw/zinc/25/36/79/1297253679.db2.gz ZEKXFBBHYSZNRE-OAHLLOKOSA-N 2 2 339.277 3.151 20 30 EGEDLP C#CC[N@H+](C)CCC[NH2+][C@H](CC)c1cc(Br)ccc1O ZINC000328050271 1297253687 /nfs/dbraw/zinc/25/36/87/1297253687.db2.gz ZEKXFBBHYSZNRE-OAHLLOKOSA-N 2 2 339.277 3.151 20 30 EGEDLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)cc1 ZINC000174564590 1294508113 /nfs/dbraw/zinc/50/81/13/1294508113.db2.gz BVWOLQUCHDLXFF-UHFFFAOYSA-N 2 2 334.467 3.383 20 30 EGEDLP Cc1ccc(NC(=[NH2+])NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000303891647 1296870960 /nfs/dbraw/zinc/87/09/60/1296870960.db2.gz QVXOSMLNLTTZEK-CQSZACIVSA-N 2 2 328.485 3.230 20 30 EGEDLP Cc1ccc(NC(=[NH2+])NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000303891647 1296870980 /nfs/dbraw/zinc/87/09/80/1296870980.db2.gz QVXOSMLNLTTZEK-CQSZACIVSA-N 2 2 328.485 3.230 20 30 EGEDLP COc1cc(F)ccc1N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000761890314 1301562436 /nfs/dbraw/zinc/56/24/36/1301562436.db2.gz LJKPUQUJXYLMIX-UHFFFAOYSA-N 2 2 342.418 3.032 20 30 EGEDLP N#CCCCOc1cccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)c1 ZINC000897982260 1310539619 /nfs/dbraw/zinc/53/96/19/1310539619.db2.gz ZRVXBAUYBPYGRF-UHFFFAOYSA-N 2 2 327.472 3.476 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(N3CCCOC3=O)cc2)CC1 ZINC000815577194 1319019580 /nfs/dbraw/zinc/01/95/80/1319019580.db2.gz JLANLXDMZCGSDK-INIZCTEOSA-N 2 2 343.471 3.334 20 30 EGEDLP C=CC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000819023869 1319615975 /nfs/dbraw/zinc/61/59/75/1319615975.db2.gz KTPHKKAQGNZWEP-INIZCTEOSA-N 2 2 329.271 3.267 20 30 EGEDLP CN(CCC#N)c1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000848575565 1321978618 /nfs/dbraw/zinc/97/86/18/1321978618.db2.gz SNPZOJUCEQQYAF-PMACEKPBSA-N 2 2 326.488 3.143 20 30 EGEDLP CN(CCC#N)c1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000848575565 1321978620 /nfs/dbraw/zinc/97/86/20/1321978620.db2.gz SNPZOJUCEQQYAF-PMACEKPBSA-N 2 2 326.488 3.143 20 30 EGEDLP CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000848575568 1321978671 /nfs/dbraw/zinc/97/86/71/1321978671.db2.gz SNPZOJUCEQQYAF-WOJBJXKFSA-N 2 2 326.488 3.143 20 30 EGEDLP CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000848575568 1321978674 /nfs/dbraw/zinc/97/86/74/1321978674.db2.gz SNPZOJUCEQQYAF-WOJBJXKFSA-N 2 2 326.488 3.143 20 30 EGEDLP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001025243698 1324039778 /nfs/dbraw/zinc/03/97/78/1324039778.db2.gz DMSOPZWIFBBDNT-RTBURBONSA-N 2 2 338.455 3.208 20 30 EGEDLP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001025243698 1324039783 /nfs/dbraw/zinc/03/97/83/1324039783.db2.gz DMSOPZWIFBBDNT-RTBURBONSA-N 2 2 338.455 3.208 20 30 EGEDLP C=C(Cl)C[NH2+]C1CCC(NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001026494464 1324847364 /nfs/dbraw/zinc/84/73/64/1324847364.db2.gz QGVHRGRSTNMRPI-UHFFFAOYSA-N 2 2 346.862 3.026 20 30 EGEDLP C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000948932030 1333738153 /nfs/dbraw/zinc/73/81/53/1333738153.db2.gz DXABMWFGZIZYKK-HXUWFJFHSA-N 2 2 346.434 3.078 20 30 EGEDLP C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000948932030 1333738156 /nfs/dbraw/zinc/73/81/56/1333738156.db2.gz DXABMWFGZIZYKK-HXUWFJFHSA-N 2 2 346.434 3.078 20 30 EGEDLP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034537959 1342595103 /nfs/dbraw/zinc/59/51/03/1342595103.db2.gz PGBZZDUKEMTIIY-SFHVURJKSA-N 2 2 349.906 3.085 20 30 EGEDLP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034537959 1342595107 /nfs/dbraw/zinc/59/51/07/1342595107.db2.gz PGBZZDUKEMTIIY-SFHVURJKSA-N 2 2 349.906 3.085 20 30 EGEDLP C=CC[N@H+]1CCC2(C1)CCN(C(=O)c1c(C)cc(C)[nH+]c1C)CC2 ZINC001035206966 1343024035 /nfs/dbraw/zinc/02/40/35/1343024035.db2.gz FVNOXTWTBBLTBI-UHFFFAOYSA-N 2 2 327.472 3.121 20 30 EGEDLP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)c1c(C)cc(C)[nH+]c1C)CC2 ZINC001035206966 1343024043 /nfs/dbraw/zinc/02/40/43/1343024043.db2.gz FVNOXTWTBBLTBI-UHFFFAOYSA-N 2 2 327.472 3.121 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001046512166 1346999690 /nfs/dbraw/zinc/99/96/90/1346999690.db2.gz CDIGJDNSPASFCQ-FQEVSTJZSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001046512166 1346999691 /nfs/dbraw/zinc/99/96/91/1346999691.db2.gz CDIGJDNSPASFCQ-FQEVSTJZSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001071611130 1354796019 /nfs/dbraw/zinc/79/60/19/1354796019.db2.gz ZMYAFCTYFMBJCE-ZBFHGGJFSA-N 2 2 326.444 3.112 20 30 EGEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001071611130 1354796022 /nfs/dbraw/zinc/79/60/22/1354796022.db2.gz ZMYAFCTYFMBJCE-ZBFHGGJFSA-N 2 2 326.444 3.112 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001183175789 1387272301 /nfs/dbraw/zinc/27/23/01/1387272301.db2.gz FREOPNVGDWLXGC-JXXFODFXSA-N 2 2 346.519 3.116 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]C[C@]1(C)CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001183575302 1387320261 /nfs/dbraw/zinc/32/02/61/1387320261.db2.gz OGUXACAGKCHSBW-QWFCFKBJSA-N 2 2 346.519 3.092 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001183582081 1387321083 /nfs/dbraw/zinc/32/10/83/1387321083.db2.gz RRRLFDBNSCUFCM-QGZVFWFLSA-N 2 2 334.508 3.088 20 30 EGEDLP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001089641645 1360554319 /nfs/dbraw/zinc/55/43/19/1360554319.db2.gz PXGZFXSCMAQYFZ-KRWDZBQOSA-N 2 2 340.471 3.049 20 30 EGEDLP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001089641645 1360554321 /nfs/dbraw/zinc/55/43/21/1360554321.db2.gz PXGZFXSCMAQYFZ-KRWDZBQOSA-N 2 2 340.471 3.049 20 30 EGEDLP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001099111190 1363629544 /nfs/dbraw/zinc/62/95/44/1363629544.db2.gz UPUODTIQJVUIER-GVDBMIGSSA-N 2 2 344.503 3.086 20 30 EGEDLP C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001099111190 1363629548 /nfs/dbraw/zinc/62/95/48/1363629548.db2.gz UPUODTIQJVUIER-GVDBMIGSSA-N 2 2 344.503 3.086 20 30 EGEDLP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001099111190 1363629550 /nfs/dbraw/zinc/62/95/50/1363629550.db2.gz UPUODTIQJVUIER-GVDBMIGSSA-N 2 2 344.503 3.086 20 30 EGEDLP C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001099111190 1363629553 /nfs/dbraw/zinc/62/95/53/1363629553.db2.gz UPUODTIQJVUIER-GVDBMIGSSA-N 2 2 344.503 3.086 20 30 EGEDLP CCCCCCC[NH2+]C1CC(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001100716238 1364233350 /nfs/dbraw/zinc/23/33/50/1364233350.db2.gz CPCKVJYGLGYSQS-AOCRQIFASA-N 2 2 334.508 3.289 20 30 EGEDLP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102073312 1364837855 /nfs/dbraw/zinc/83/78/55/1364837855.db2.gz RYKMYMQXFDWEOQ-GUDVDZBRSA-N 2 2 346.519 3.121 20 30 EGEDLP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102073312 1364837859 /nfs/dbraw/zinc/83/78/59/1364837859.db2.gz RYKMYMQXFDWEOQ-GUDVDZBRSA-N 2 2 346.519 3.121 20 30 EGEDLP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001109440499 1367121592 /nfs/dbraw/zinc/12/15/92/1367121592.db2.gz XPPMGUDBJDZBQB-MHORFTMASA-N 2 2 344.503 3.003 20 30 EGEDLP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001109440499 1367121595 /nfs/dbraw/zinc/12/15/95/1367121595.db2.gz XPPMGUDBJDZBQB-MHORFTMASA-N 2 2 344.503 3.003 20 30 EGEDLP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191320713 1367475784 /nfs/dbraw/zinc/47/57/84/1367475784.db2.gz OUAPFSAFMWQABD-KRWDZBQOSA-N 2 2 340.471 3.227 20 30 EGEDLP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191320713 1367475787 /nfs/dbraw/zinc/47/57/87/1367475787.db2.gz OUAPFSAFMWQABD-KRWDZBQOSA-N 2 2 340.471 3.227 20 30 EGEDLP CCCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001108670658 1367523892 /nfs/dbraw/zinc/52/38/92/1367523892.db2.gz BKWJCKKMQSWMSE-BZSNNMDCSA-N 2 2 346.519 3.282 20 30 EGEDLP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001192577975 1367823546 /nfs/dbraw/zinc/82/35/46/1367823546.db2.gz KTPOWDPAJWRIMY-MSOLQXFVSA-N 2 2 334.508 3.337 20 30 EGEDLP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001192577975 1367823550 /nfs/dbraw/zinc/82/35/50/1367823550.db2.gz KTPOWDPAJWRIMY-MSOLQXFVSA-N 2 2 334.508 3.337 20 30 EGEDLP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C12CCC2 ZINC001203077998 1369974955 /nfs/dbraw/zinc/97/49/55/1369974955.db2.gz KEJXPWSKNTXIQR-MSOLQXFVSA-N 2 2 338.455 3.160 20 30 EGEDLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC001206547723 1371090313 /nfs/dbraw/zinc/09/03/13/1371090313.db2.gz FOYWIZCNRDFGOM-INIZCTEOSA-N 2 2 336.277 3.272 20 30 EGEDLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC001206547723 1371090317 /nfs/dbraw/zinc/09/03/17/1371090317.db2.gz FOYWIZCNRDFGOM-INIZCTEOSA-N 2 2 336.277 3.272 20 30 EGEDLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccc(C#N)c(Br)c2)C1 ZINC001206572198 1371096765 /nfs/dbraw/zinc/09/67/65/1371096765.db2.gz CAFMEBJIMZEXEK-INIZCTEOSA-N 2 2 336.277 3.272 20 30 EGEDLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(C#N)c(Br)c2)C1 ZINC001206572198 1371096767 /nfs/dbraw/zinc/09/67/67/1371096767.db2.gz CAFMEBJIMZEXEK-INIZCTEOSA-N 2 2 336.277 3.272 20 30 EGEDLP C=CCN(CC[N@@H+](C(C)C)C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC001207204211 1371328331 /nfs/dbraw/zinc/32/83/31/1371328331.db2.gz GKYZOEYQMRUULD-UHFFFAOYSA-N 2 2 339.524 3.214 20 30 EGEDLP C=CCN(CC[N@H+](C(C)C)C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC001207204211 1371328333 /nfs/dbraw/zinc/32/83/33/1371328333.db2.gz GKYZOEYQMRUULD-UHFFFAOYSA-N 2 2 339.524 3.214 20 30 EGEDLP CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001209578016 1372141745 /nfs/dbraw/zinc/14/17/45/1372141745.db2.gz JOZFUTGMVPZNND-IRXDYDNUSA-N 2 2 346.519 3.381 20 30 EGEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@H]1C ZINC001132041517 1375112683 /nfs/dbraw/zinc/11/26/83/1375112683.db2.gz GBVXBUAYYATBRK-QAPCUYQASA-N 2 2 340.471 3.192 20 30 EGEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@H]1C ZINC001132041517 1375112685 /nfs/dbraw/zinc/11/26/85/1375112685.db2.gz GBVXBUAYYATBRK-QAPCUYQASA-N 2 2 340.471 3.192 20 30 EGEDLP CCCCCCC[NH2+]C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132781773 1375561319 /nfs/dbraw/zinc/56/13/19/1375561319.db2.gz FVZRKANWVFGHHT-MSOLQXFVSA-N 2 2 348.535 3.387 20 30 EGEDLP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001133021191 1375716792 /nfs/dbraw/zinc/71/67/92/1375716792.db2.gz KAKLVZQVJJRVLW-RBUKOAKNSA-N 2 2 348.535 3.318 20 30 EGEDLP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001133240997 1375862048 /nfs/dbraw/zinc/86/20/48/1375862048.db2.gz DBMTVFALXXAQJI-QZTJIDSGSA-N 2 2 348.535 3.007 20 30 EGEDLP CCCCCCC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C ZINC001133270113 1375886279 /nfs/dbraw/zinc/88/62/79/1375886279.db2.gz IFPJRIQATNVJMW-AEFFLSMTSA-N 2 2 348.535 3.305 20 30 EGEDLP C=CCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001134743627 1376692439 /nfs/dbraw/zinc/69/24/39/1376692439.db2.gz ABXRKXWLUFSFMT-IAGOWNOFSA-N 2 2 347.503 3.252 20 30 EGEDLP C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001154083196 1380201746 /nfs/dbraw/zinc/20/17/46/1380201746.db2.gz LSXQGCXCWJXXOG-MSOLQXFVSA-N 2 2 346.519 3.019 20 30 EGEDLP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001154083196 1380201751 /nfs/dbraw/zinc/20/17/51/1380201751.db2.gz LSXQGCXCWJXXOG-MSOLQXFVSA-N 2 2 346.519 3.019 20 30 EGEDLP CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001154437428 1380277164 /nfs/dbraw/zinc/27/71/64/1380277164.db2.gz ZKXOXPIURSEBDI-QGZVFWFLSA-N 2 2 336.524 3.150 20 30 EGEDLP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001154437428 1380277166 /nfs/dbraw/zinc/27/71/66/1380277166.db2.gz ZKXOXPIURSEBDI-QGZVFWFLSA-N 2 2 336.524 3.150 20 30 EGEDLP N#Cc1ccc2cc[nH+]c(NCc3ccccc3N3CC[NH2+]CC3)c2c1 ZINC001160109430 1382000094 /nfs/dbraw/zinc/00/00/94/1382000094.db2.gz IGXHBQFGTKAOMO-UHFFFAOYSA-N 2 2 343.434 3.128 20 30 EGEDLP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001160431190 1382101667 /nfs/dbraw/zinc/10/16/67/1382101667.db2.gz PDWRKSXEPJYNFI-CGTJXYLNSA-N 2 2 342.487 3.006 20 30 EGEDLP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001160431190 1382101669 /nfs/dbraw/zinc/10/16/69/1382101669.db2.gz PDWRKSXEPJYNFI-CGTJXYLNSA-N 2 2 342.487 3.006 20 30 EGEDLP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001160431190 1382101673 /nfs/dbraw/zinc/10/16/73/1382101673.db2.gz PDWRKSXEPJYNFI-CGTJXYLNSA-N 2 2 342.487 3.006 20 30 EGEDLP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001160431190 1382101676 /nfs/dbraw/zinc/10/16/76/1382101676.db2.gz PDWRKSXEPJYNFI-CGTJXYLNSA-N 2 2 342.487 3.006 20 30 EGEDLP C=CCCCCC[C@H]([NH3+])C(=O)N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001161030503 1382277692 /nfs/dbraw/zinc/27/76/92/1382277692.db2.gz AEXXEVVYXXNOBB-IBGZPJMESA-N 2 2 340.471 3.295 20 30 EGEDLP Cc1[nH+]c(NC2CC[NH+](Cc3ccc(O)cc3)CC2)ccc1CC#N ZINC001161136843 1382314410 /nfs/dbraw/zinc/31/44/10/1382314410.db2.gz KVXVKIPRBATYPI-UHFFFAOYSA-N 2 2 336.439 3.238 20 30 EGEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001170782783 1384384131 /nfs/dbraw/zinc/38/41/31/1384384131.db2.gz CHKMSDFVCPNOBY-OAHLLOKOSA-N 2 2 328.460 3.097 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CCCC[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001171487295 1384538774 /nfs/dbraw/zinc/53/87/74/1384538774.db2.gz SQJSAIBZHAVBFH-IAGOWNOFSA-N 2 2 347.503 3.252 20 30 EGEDLP COCCC[NH+]1CCC([NH+]2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001172250945 1384756092 /nfs/dbraw/zinc/75/60/92/1384756092.db2.gz WPMRBKFMGVVSNN-UHFFFAOYSA-N 2 2 341.499 3.045 20 30 EGEDLP C[N@@H+]1CCc2c(C#N)c(Nc3ccc[nH+]c3N3CCCC3)sc2C1 ZINC001176743832 1385679479 /nfs/dbraw/zinc/67/94/79/1385679479.db2.gz OLACLBBEVTZYSC-UHFFFAOYSA-N 2 2 339.468 3.346 20 30 EGEDLP C[N@H+]1CCc2c(C#N)c(Nc3ccc[nH+]c3N3CCCC3)sc2C1 ZINC001176743832 1385679484 /nfs/dbraw/zinc/67/94/84/1385679484.db2.gz OLACLBBEVTZYSC-UHFFFAOYSA-N 2 2 339.468 3.346 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001179705600 1386560700 /nfs/dbraw/zinc/56/07/00/1386560700.db2.gz JXNNCRJYGABMBD-QZTJIDSGSA-N 2 2 334.508 3.455 20 30 EGEDLP CCCCCCC[NH2+]C[C@]1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001181287490 1386972736 /nfs/dbraw/zinc/97/27/36/1386972736.db2.gz XEUZTQZBUNOBND-YLJYHZDGSA-N 2 2 348.535 3.387 20 30 EGEDLP C=C(Cl)C[NH+]1CCC(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001482043738 1394705755 /nfs/dbraw/zinc/70/57/55/1394705755.db2.gz NTRPJQFZZWMFDZ-UHFFFAOYSA-N 2 2 346.862 3.147 20 30 EGEDLP C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001713132248 1417707734 /nfs/dbraw/zinc/70/77/34/1417707734.db2.gz WENZRVDMDGXVDX-CQSZACIVSA-N 2 2 346.862 3.099 20 30 EGEDLP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001713132248 1417707736 /nfs/dbraw/zinc/70/77/36/1417707736.db2.gz WENZRVDMDGXVDX-CQSZACIVSA-N 2 2 346.862 3.099 20 30 EGEDLP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001752750027 1440204813 /nfs/dbraw/zinc/20/48/13/1440204813.db2.gz DAIPGSGPHWMCSM-RYQLBKOJSA-N 2 2 338.455 3.077 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001752782902 1440209531 /nfs/dbraw/zinc/20/95/31/1440209531.db2.gz SZWBHZVDRFSZFV-SJORKVTESA-N 2 2 340.471 3.131 20 30 EGEDLP C=CCC[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001752782902 1440209532 /nfs/dbraw/zinc/20/95/32/1440209532.db2.gz SZWBHZVDRFSZFV-SJORKVTESA-N 2 2 340.471 3.131 20 30 EGEDLP C=CCC[C@@H](C)[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001752992772 1440260062 /nfs/dbraw/zinc/26/00/62/1440260062.db2.gz SKYUAQLAHFUHNL-MSOLQXFVSA-N 2 2 346.519 3.204 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001752992772 1440260063 /nfs/dbraw/zinc/26/00/63/1440260063.db2.gz SKYUAQLAHFUHNL-MSOLQXFVSA-N 2 2 346.519 3.204 20 30 EGEDLP C=CCCCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001754867027 1440703442 /nfs/dbraw/zinc/70/34/42/1440703442.db2.gz ATWWMUWQCHWHPG-OALUTQOASA-N 2 2 344.503 3.072 20 30 EGEDLP C=CCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001754867027 1440703443 /nfs/dbraw/zinc/70/34/43/1440703443.db2.gz ATWWMUWQCHWHPG-OALUTQOASA-N 2 2 344.503 3.072 20 30 EGEDLP C=CC[NH2+]CCCN(Cc1ccccc1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001755537763 1440870141 /nfs/dbraw/zinc/87/01/41/1440870141.db2.gz WKVGHJBUMPNAJD-UHFFFAOYSA-N 2 2 348.450 3.371 20 30 EGEDLP Cc1ccc([C@@H](O)C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181550596 234227987 /nfs/dbraw/zinc/22/79/87/234227987.db2.gz AZDXUFZYMFSBTR-QFIPXVFZSA-N 2 2 349.478 3.154 20 30 EGEDLP COCC[N@H+](C)CC[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccccc1 ZINC000348847948 156260561 /nfs/dbraw/zinc/26/05/61/156260561.db2.gz IPQXQXGOUXYZHR-NRFANRHFSA-N 2 2 337.467 3.357 20 30 EGEDLP COCC[N@@H+](C)CC[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccccc1 ZINC000348847948 156260567 /nfs/dbraw/zinc/26/05/67/156260567.db2.gz IPQXQXGOUXYZHR-NRFANRHFSA-N 2 2 337.467 3.357 20 30 EGEDLP COCC[N@H+](C)CC[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccccc1 ZINC000348848525 156261175 /nfs/dbraw/zinc/26/11/75/156261175.db2.gz MQMQKJYDSHBRGR-OAQYLSRUSA-N 2 2 337.467 3.357 20 30 EGEDLP COCC[N@@H+](C)CC[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccccc1 ZINC000348848525 156261182 /nfs/dbraw/zinc/26/11/82/156261182.db2.gz MQMQKJYDSHBRGR-OAQYLSRUSA-N 2 2 337.467 3.357 20 30 EGEDLP C[C@H](Cc1ccncc1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344118274 164107814 /nfs/dbraw/zinc/10/78/14/164107814.db2.gz YYTXVAMOMCUCEV-QGZVFWFLSA-N 2 2 334.467 3.138 20 30 EGEDLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437897826 270051657 /nfs/dbraw/zinc/05/16/57/270051657.db2.gz SOJFVVCZBUWYKW-HNNXBMFYSA-N 2 2 337.414 3.323 20 30 EGEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437897826 270051658 /nfs/dbraw/zinc/05/16/58/270051658.db2.gz SOJFVVCZBUWYKW-HNNXBMFYSA-N 2 2 337.414 3.323 20 30 EGEDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437897826 270051659 /nfs/dbraw/zinc/05/16/59/270051659.db2.gz SOJFVVCZBUWYKW-HNNXBMFYSA-N 2 2 337.414 3.323 20 30 EGEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437897826 270051660 /nfs/dbraw/zinc/05/16/60/270051660.db2.gz SOJFVVCZBUWYKW-HNNXBMFYSA-N 2 2 337.414 3.323 20 30 EGEDLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000269634824 266331889 /nfs/dbraw/zinc/33/18/89/266331889.db2.gz VNWOVHKRILJGKJ-OAHLLOKOSA-N 2 2 338.430 3.408 20 30 EGEDLP Cc1cc(N2CC[NH+](CC(C)(C)CCC#N)CC2)nc(C(C)C)[nH+]1 ZINC000121741937 454471883 /nfs/dbraw/zinc/47/18/83/454471883.db2.gz OWIJMGROMRTKTQ-UHFFFAOYSA-N 2 2 329.492 3.360 20 30 EGEDLP Cn1cc[nH+]c1CC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000135053782 454628548 /nfs/dbraw/zinc/62/85/48/454628548.db2.gz DKLXKNXQYQZGLI-UHFFFAOYSA-N 2 2 327.859 3.380 20 30 EGEDLP C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1 ZINC000126359579 454888717 /nfs/dbraw/zinc/88/87/17/454888717.db2.gz GBBMNXSLXPYINH-MRXNPFEDSA-N 2 2 346.434 3.439 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000177909401 454919019 /nfs/dbraw/zinc/91/90/19/454919019.db2.gz XELAQVWJWGAVAM-MRXNPFEDSA-N 2 2 327.472 3.114 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc(Br)ccc2O)CC1 ZINC000185383420 455551064 /nfs/dbraw/zinc/55/10/64/455551064.db2.gz FKPPANKSSGBIDF-GFCCVEGCSA-N 2 2 339.277 3.456 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Br)cc2O)CC1 ZINC000185384064 455551894 /nfs/dbraw/zinc/55/18/94/455551894.db2.gz JEDRVKDCNNIGGB-LBPRGKRZSA-N 2 2 339.277 3.456 20 30 EGEDLP C=CC[NH+]1CCC([NH2+]Cc2c(F)cccc2OC(F)(F)F)CC1 ZINC000283802749 455595721 /nfs/dbraw/zinc/59/57/21/455595721.db2.gz BVDUUWHLXFXLNX-UHFFFAOYSA-N 2 2 332.341 3.464 20 30 EGEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc(F)c2Br)CC1 ZINC000295259594 455843903 /nfs/dbraw/zinc/84/39/03/455843903.db2.gz UXEJLYVTBDKCOO-UHFFFAOYSA-N 2 2 327.241 3.328 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272700885 456044031 /nfs/dbraw/zinc/04/40/31/456044031.db2.gz YOXNPDGKLOUXLL-QUCCMNQESA-N 3 2 327.516 3.137 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272700885 456044034 /nfs/dbraw/zinc/04/40/34/456044034.db2.gz YOXNPDGKLOUXLL-QUCCMNQESA-N 3 2 327.516 3.137 20 30 EGEDLP NC(=[NH+]OCc1cncc(F)c1)c1ccccc1C[NH+]1CCCCC1 ZINC000281179395 456155171 /nfs/dbraw/zinc/15/51/71/456155171.db2.gz QMDREKWGDGRUSH-UHFFFAOYSA-N 2 2 342.418 3.044 20 30 EGEDLP COc1cc(C[NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000353215015 456566158 /nfs/dbraw/zinc/56/61/58/456566158.db2.gz VQNQFBOQYJBYKF-UZLBHIALSA-N 2 2 335.451 3.319 20 30 EGEDLP COc1cc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000353215015 456566165 /nfs/dbraw/zinc/56/61/65/456566165.db2.gz VQNQFBOQYJBYKF-UZLBHIALSA-N 2 2 335.451 3.319 20 30 EGEDLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000329807585 456943691 /nfs/dbraw/zinc/94/36/91/456943691.db2.gz AGRIBWOOADBELZ-UHFFFAOYSA-N 2 2 338.455 3.360 20 30 EGEDLP C=CCOc1ccccc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000357211886 457377893 /nfs/dbraw/zinc/37/78/93/457377893.db2.gz HMVJDPFUDUFJTP-KRWDZBQOSA-N 2 2 325.456 3.440 20 30 EGEDLP C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000357211886 457377899 /nfs/dbraw/zinc/37/78/99/457377899.db2.gz HMVJDPFUDUFJTP-KRWDZBQOSA-N 2 2 325.456 3.440 20 30 EGEDLP C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000370670221 457695979 /nfs/dbraw/zinc/69/59/79/457695979.db2.gz YJYOLQZQDVZFNL-INIZCTEOSA-N 2 2 332.407 3.130 20 30 EGEDLP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000361465147 457740658 /nfs/dbraw/zinc/74/06/58/457740658.db2.gz UQCCJIPJFPOLRV-HOJAQTOUSA-N 2 2 329.488 3.368 20 30 EGEDLP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000361465147 457740661 /nfs/dbraw/zinc/74/06/61/457740661.db2.gz UQCCJIPJFPOLRV-HOJAQTOUSA-N 2 2 329.488 3.368 20 30 EGEDLP Cc1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1C#N ZINC000443997800 457837641 /nfs/dbraw/zinc/83/76/41/457837641.db2.gz RUVFUAFHGJLMFP-QFIPXVFZSA-N 2 2 349.478 3.247 20 30 EGEDLP Cc1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1C#N ZINC000443997800 457837646 /nfs/dbraw/zinc/83/76/46/457837646.db2.gz RUVFUAFHGJLMFP-QFIPXVFZSA-N 2 2 349.478 3.247 20 30 EGEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3ccc(Cl)cc3C#N)CC2)CC1 ZINC000433513668 457844276 /nfs/dbraw/zinc/84/42/76/457844276.db2.gz SWYVAAVSOGGWSE-UHFFFAOYSA-N 2 2 346.906 3.206 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000496574493 459245189 /nfs/dbraw/zinc/24/51/89/459245189.db2.gz VYTJRIIMEVVCCP-IRXDYDNUSA-N 2 2 337.508 3.062 20 30 EGEDLP COc1ccccc1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593687538 459950646 /nfs/dbraw/zinc/95/06/46/459950646.db2.gz HZZGWKDKAFLDNH-UHFFFAOYSA-N 2 2 335.451 3.321 20 30 EGEDLP CC[C@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CCOCC1 ZINC000593719289 459962532 /nfs/dbraw/zinc/96/25/32/459962532.db2.gz BCRZZIJKNZHCOI-NRFANRHFSA-N 2 2 341.499 3.317 20 30 EGEDLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611392882 460354219 /nfs/dbraw/zinc/35/42/19/460354219.db2.gz SOJTWBNFOPSERK-FQEVSTJZSA-N 2 2 341.499 3.415 20 30 EGEDLP N#Cc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(Br)c1 ZINC000181118525 534782518 /nfs/dbraw/zinc/78/25/18/534782518.db2.gz MTBLEGFPEDUITH-OAHLLOKOSA-N 2 2 348.288 3.238 20 30 EGEDLP N#Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(Br)c1 ZINC000181118525 534782523 /nfs/dbraw/zinc/78/25/23/534782523.db2.gz MTBLEGFPEDUITH-OAHLLOKOSA-N 2 2 348.288 3.238 20 30 EGEDLP FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000676557952 549109168 /nfs/dbraw/zinc/10/91/68/549109168.db2.gz AKKGFVYMZXZMKR-MRXNPFEDSA-N 2 2 349.356 3.470 20 30 EGEDLP FC(F)(F)Oc1ccc(C#CC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000676557952 549109171 /nfs/dbraw/zinc/10/91/71/549109171.db2.gz AKKGFVYMZXZMKR-MRXNPFEDSA-N 2 2 349.356 3.470 20 30 EGEDLP CC(C)CCC[C@@H](C)NC(=[NH2+])NCc1ccccc1-n1cc[nH+]c1 ZINC000303896618 1296874116 /nfs/dbraw/zinc/87/41/16/1296874116.db2.gz UPSBCBBRGWQERT-MRXNPFEDSA-N 2 2 327.476 3.491 20 30 EGEDLP CCOc1ccc(N[NH+]=Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000814985170 1318864901 /nfs/dbraw/zinc/86/49/01/1318864901.db2.gz VMABYGYDOWBHAB-UHFFFAOYSA-N 2 2 338.455 3.283 20 30 EGEDLP CN(C)C(NCc1ccccc1)=[NH+]C[C@H](c1ccsc1)[NH+](C)C ZINC000849059122 1322062119 /nfs/dbraw/zinc/06/21/19/1322062119.db2.gz CSLRSMBNHWKTJY-QGZVFWFLSA-N 2 2 330.501 3.058 20 30 EGEDLP N#Cc1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cs1 ZINC000921529410 1322341937 /nfs/dbraw/zinc/34/19/37/1322341937.db2.gz ZHIHUXADUIFKKA-UHFFFAOYSA-N 2 2 325.481 3.416 20 30 EGEDLP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001024440257 1323401763 /nfs/dbraw/zinc/40/17/63/1323401763.db2.gz MERUPGSFDIVVDF-SFHVURJKSA-N 2 2 340.471 3.193 20 30 EGEDLP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001024440257 1323401765 /nfs/dbraw/zinc/40/17/65/1323401765.db2.gz MERUPGSFDIVVDF-SFHVURJKSA-N 2 2 340.471 3.193 20 30 EGEDLP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001024737281 1323637038 /nfs/dbraw/zinc/63/70/38/1323637038.db2.gz HUKIDJOYDWNYBS-IBGZPJMESA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001024737281 1323637046 /nfs/dbraw/zinc/63/70/46/1323637046.db2.gz HUKIDJOYDWNYBS-IBGZPJMESA-N 2 2 338.455 3.033 20 30 EGEDLP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001025243695 1324040705 /nfs/dbraw/zinc/04/07/05/1324040705.db2.gz DMSOPZWIFBBDNT-MOPGFXCFSA-N 2 2 338.455 3.208 20 30 EGEDLP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001025243695 1324040710 /nfs/dbraw/zinc/04/07/10/1324040710.db2.gz DMSOPZWIFBBDNT-MOPGFXCFSA-N 2 2 338.455 3.208 20 30 EGEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1CC ZINC001037855050 1344140916 /nfs/dbraw/zinc/14/09/16/1344140916.db2.gz NBOUPOGHUBXYMT-FUHWJXTLSA-N 2 2 340.471 3.049 20 30 EGEDLP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001039212350 1344926495 /nfs/dbraw/zinc/92/64/95/1344926495.db2.gz IUBXWNCLOSNQPQ-KXBFYZLASA-N 2 2 338.455 3.066 20 30 EGEDLP C=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001039212350 1344926499 /nfs/dbraw/zinc/92/64/99/1344926499.db2.gz IUBXWNCLOSNQPQ-KXBFYZLASA-N 2 2 338.455 3.066 20 30 EGEDLP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001040264310 1345402633 /nfs/dbraw/zinc/40/26/33/1345402633.db2.gz NOVAZMGFFHTUKU-FQEVSTJZSA-N 2 2 338.455 3.067 20 30 EGEDLP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001040264310 1345402636 /nfs/dbraw/zinc/40/26/36/1345402636.db2.gz NOVAZMGFFHTUKU-FQEVSTJZSA-N 2 2 338.455 3.067 20 30 EGEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC001044694041 1346405188 /nfs/dbraw/zinc/40/51/88/1346405188.db2.gz RBJXTCVFKPUKEG-FUHWJXTLSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001045969701 1346804450 /nfs/dbraw/zinc/80/44/50/1346804450.db2.gz XKFZCMINPKYHLY-ICSRJNTNSA-N 2 2 344.503 3.115 20 30 EGEDLP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001045969701 1346804455 /nfs/dbraw/zinc/80/44/55/1346804455.db2.gz XKFZCMINPKYHLY-ICSRJNTNSA-N 2 2 344.503 3.115 20 30 EGEDLP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001184535865 1387486569 /nfs/dbraw/zinc/48/65/69/1387486569.db2.gz YNGHBUXMSKYQLF-ROUUACIJSA-N 2 2 346.519 3.163 20 30 EGEDLP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001184535865 1387486571 /nfs/dbraw/zinc/48/65/71/1387486571.db2.gz YNGHBUXMSKYQLF-ROUUACIJSA-N 2 2 346.519 3.163 20 30 EGEDLP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001184654285 1387504441 /nfs/dbraw/zinc/50/44/41/1387504441.db2.gz VQTVNBSFUGDBFG-JSGCOSHPSA-N 2 2 346.862 3.003 20 30 EGEDLP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1c(C)cc(C)[nH+]c1C)C2 ZINC001094966314 1361965965 /nfs/dbraw/zinc/96/59/65/1361965965.db2.gz UMKRPNYUUATEOG-KSZLIROESA-N 2 2 327.472 3.166 20 30 EGEDLP C=CCCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099358516 1363771710 /nfs/dbraw/zinc/77/17/10/1363771710.db2.gz IJXVNIKUTABTBE-GOSISDBHSA-N 2 2 346.519 3.236 20 30 EGEDLP C=CCCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099358516 1363771714 /nfs/dbraw/zinc/77/17/14/1363771714.db2.gz IJXVNIKUTABTBE-GOSISDBHSA-N 2 2 346.519 3.236 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CC(C)(C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001101584213 1364635832 /nfs/dbraw/zinc/63/58/32/1364635832.db2.gz HVONGEOLQNVWGR-MRXNPFEDSA-N 2 2 346.519 3.161 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001104909148 1366219755 /nfs/dbraw/zinc/21/97/55/1366219755.db2.gz ZRWPVURDZGROMZ-BRWVUGGUSA-N 2 2 346.519 3.116 20 30 EGEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001186754510 1388004830 /nfs/dbraw/zinc/00/48/30/1388004830.db2.gz IVOCOQDIUHXCCG-SJLPKXTDSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)C12CCC2 ZINC001202854343 1369908809 /nfs/dbraw/zinc/90/88/09/1369908809.db2.gz BBZDRXYDFWVNNA-IRXDYDNUSA-N 2 2 344.503 3.106 20 30 EGEDLP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C12CCC2 ZINC001203078004 1369974488 /nfs/dbraw/zinc/97/44/88/1369974488.db2.gz KEJXPWSKNTXIQR-ZWKOTPCHSA-N 2 2 338.455 3.160 20 30 EGEDLP C=C(C)C[NH2+]C1(CNC(=O)c2ccn3c(C)c[nH+]c3c2)CCCCC1 ZINC001115538531 1370535634 /nfs/dbraw/zinc/53/56/34/1370535634.db2.gz MCOPWUOJKZCFMW-UHFFFAOYSA-N 2 2 340.471 3.241 20 30 EGEDLP C=CCCCCC[NH2+]CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001206428053 1371051352 /nfs/dbraw/zinc/05/13/52/1371051352.db2.gz SOVATUWRBLFRQE-SFHVURJKSA-N 2 2 346.519 3.409 20 30 EGEDLP C=CCCCCC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCCCC1 ZINC001120248550 1371513722 /nfs/dbraw/zinc/51/37/22/1371513722.db2.gz DDOOUNVBYLTHAP-UHFFFAOYSA-N 2 2 332.492 3.038 20 30 EGEDLP C=CCCC[N@H+]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@@H]1C ZINC001132041516 1375113247 /nfs/dbraw/zinc/11/32/47/1375113247.db2.gz GBVXBUAYYATBRK-MAUKXSAKSA-N 2 2 340.471 3.192 20 30 EGEDLP C=CCCC[N@@H+]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@@H]1C ZINC001132041516 1375113250 /nfs/dbraw/zinc/11/32/50/1375113250.db2.gz GBVXBUAYYATBRK-MAUKXSAKSA-N 2 2 340.471 3.192 20 30 EGEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCCCCC)CC[C@H]1C ZINC001132365695 1375329705 /nfs/dbraw/zinc/32/97/05/1375329705.db2.gz OFFJIHDPDBUFHK-IAGOWNOFSA-N 2 2 343.943 3.220 20 30 EGEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)C[N@H+](C)CCCCCC)CC[C@H]1C ZINC001132365695 1375329714 /nfs/dbraw/zinc/32/97/14/1375329714.db2.gz OFFJIHDPDBUFHK-IAGOWNOFSA-N 2 2 343.943 3.220 20 30 EGEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCCCCC)CC[C@H]1C ZINC001132365695 1375329722 /nfs/dbraw/zinc/32/97/22/1375329722.db2.gz OFFJIHDPDBUFHK-IAGOWNOFSA-N 2 2 343.943 3.220 20 30 EGEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)C[NH+](C)CCCCCC)CC[C@H]1C ZINC001132365695 1375329735 /nfs/dbraw/zinc/32/97/35/1375329735.db2.gz OFFJIHDPDBUFHK-IAGOWNOFSA-N 2 2 343.943 3.220 20 30 EGEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001132921208 1375645449 /nfs/dbraw/zinc/64/54/49/1375645449.db2.gz XUHCVSKLBRQTRC-NVXWUHKLSA-N 2 2 340.471 3.217 20 30 EGEDLP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001134369472 1376497887 /nfs/dbraw/zinc/49/78/87/1376497887.db2.gz MNTUXHQQBFFNCD-HUUCEWRRSA-N 2 2 328.460 3.095 20 30 EGEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(C(C)(C)C)[nH]2)CC1 ZINC001137379610 1377535520 /nfs/dbraw/zinc/53/55/20/1377535520.db2.gz YFSMYCVZEJIHTE-UHFFFAOYSA-N 2 2 344.547 3.104 20 30 EGEDLP C=CCc1cccc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1O ZINC001138626594 1377755524 /nfs/dbraw/zinc/75/55/24/1377755524.db2.gz LJASTBLBPSKGNR-NHCUHLMSSA-N 2 2 349.478 3.080 20 30 EGEDLP C=CCOc1ccccc1C[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001139028013 1377819699 /nfs/dbraw/zinc/81/96/99/1377819699.db2.gz IXFDTSXZFOISDG-OYRHEFFESA-N 2 2 349.478 3.210 20 30 EGEDLP C=CCOc1ccccc1C[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001139028013 1377819700 /nfs/dbraw/zinc/81/97/00/1377819700.db2.gz IXFDTSXZFOISDG-OYRHEFFESA-N 2 2 349.478 3.210 20 30 EGEDLP C=CCOc1ccccc1C[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001139028013 1377819701 /nfs/dbraw/zinc/81/97/01/1377819701.db2.gz IXFDTSXZFOISDG-OYRHEFFESA-N 2 2 349.478 3.210 20 30 EGEDLP C=CCOc1ccccc1C[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001139028013 1377819703 /nfs/dbraw/zinc/81/97/03/1377819703.db2.gz IXFDTSXZFOISDG-OYRHEFFESA-N 2 2 349.478 3.210 20 30 EGEDLP N#Cc1cccc2c(C[NH+]3CCC([NH+]4CCC(F)CC4)CC3)c[nH]c21 ZINC001139706177 1377938158 /nfs/dbraw/zinc/93/81/58/1377938158.db2.gz NPHIHOMOTQLLJK-UHFFFAOYSA-N 2 2 340.446 3.438 20 30 EGEDLP C#CCOc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc1OC ZINC001276576626 1378180431 /nfs/dbraw/zinc/18/04/31/1378180431.db2.gz KBBGOWNBPDIPSV-NRFANRHFSA-N 2 2 342.483 3.015 20 30 EGEDLP C#CCOc1ccc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc1OC ZINC001276576626 1378180433 /nfs/dbraw/zinc/18/04/33/1378180433.db2.gz KBBGOWNBPDIPSV-NRFANRHFSA-N 2 2 342.483 3.015 20 30 EGEDLP C#CCOc1ccc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)cc1OC ZINC001276576626 1378180434 /nfs/dbraw/zinc/18/04/34/1378180434.db2.gz KBBGOWNBPDIPSV-NRFANRHFSA-N 2 2 342.483 3.015 20 30 EGEDLP C#CCOc1ccc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)cc1OC ZINC001276576626 1378180436 /nfs/dbraw/zinc/18/04/36/1378180436.db2.gz KBBGOWNBPDIPSV-NRFANRHFSA-N 2 2 342.483 3.015 20 30 EGEDLP Cc1c[nH+]ccc1N1CCN(c2[nH+]ccc3ccc(C#N)cc32)CC1 ZINC001158106485 1381129334 /nfs/dbraw/zinc/12/93/34/1381129334.db2.gz UVJGSOUFNDMOEG-UHFFFAOYSA-N 2 2 329.407 3.137 20 30 EGEDLP C=CCCC[N@H+]1CC=C(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001160491545 1382121402 /nfs/dbraw/zinc/12/14/02/1382121402.db2.gz GIWQDPQLHFMXTH-UHFFFAOYSA-N 2 2 344.503 3.031 20 30 EGEDLP C=CCCC[N@@H+]1CC=C(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001160491545 1382121405 /nfs/dbraw/zinc/12/14/05/1382121405.db2.gz GIWQDPQLHFMXTH-UHFFFAOYSA-N 2 2 344.503 3.031 20 30 EGEDLP CCCCCCC[NH2+]CC1(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001167901366 1383768018 /nfs/dbraw/zinc/76/80/18/1383768018.db2.gz TVOVHPDEEQZYJA-UHFFFAOYSA-N 2 2 334.508 3.107 20 30 EGEDLP N#CCC1CCC([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001173326427 1384959398 /nfs/dbraw/zinc/95/93/98/1384959398.db2.gz ZAVPVIOUAZWRTD-UHFFFAOYSA-N 2 2 327.472 3.081 20 30 EGEDLP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001317187470 1384961784 /nfs/dbraw/zinc/96/17/84/1384961784.db2.gz BTJBZGHGFOKTTG-LJQANCHMSA-N 2 2 338.455 3.033 20 30 EGEDLP C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)CCc1c[nH]c[nH+]1 ZINC001177339848 1385919666 /nfs/dbraw/zinc/91/96/66/1385919666.db2.gz RPGREJOXNIYVBB-UHFFFAOYSA-N 2 2 346.519 3.307 20 30 EGEDLP C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)CCc1c[nH+]c[nH]1 ZINC001177339848 1385919671 /nfs/dbraw/zinc/91/96/71/1385919671.db2.gz RPGREJOXNIYVBB-UHFFFAOYSA-N 2 2 346.519 3.307 20 30 EGEDLP C=C(C)CC[NH2+]CCCCCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001178823192 1386318692 /nfs/dbraw/zinc/31/86/92/1386318692.db2.gz LQHHVHRGKUPWHW-UHFFFAOYSA-N 2 2 328.460 3.409 20 30 EGEDLP CCCCCCC[NH2+]CCCCCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001180158678 1386717024 /nfs/dbraw/zinc/71/70/24/1386717024.db2.gz PBAQEVZVJNMMHV-UHFFFAOYSA-N 2 2 336.524 3.497 20 30 EGEDLP C=CCC[C@@H](C)[N@H+](C)[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001752992451 1440259858 /nfs/dbraw/zinc/25/98/58/1440259858.db2.gz MJXONXMQGLMXCG-WBVHZDCISA-N 2 2 340.471 3.454 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001752992451 1440259859 /nfs/dbraw/zinc/25/98/59/1440259859.db2.gz MJXONXMQGLMXCG-WBVHZDCISA-N 2 2 340.471 3.454 20 30 EGEDLP CCCCCCC[N@@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001753604413 1440447621 /nfs/dbraw/zinc/44/76/21/1440447621.db2.gz GDGOASHNIYJFOW-UHFFFAOYSA-N 2 2 346.519 3.168 20 30 EGEDLP CCCCCCC[N@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001753604413 1440447622 /nfs/dbraw/zinc/44/76/22/1440447622.db2.gz GDGOASHNIYJFOW-UHFFFAOYSA-N 2 2 346.519 3.168 20 30 EGEDLP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001754545016 1440627023 /nfs/dbraw/zinc/62/70/23/1440627023.db2.gz RHRHWNGMUCYTMM-IPQPSQTFSA-N 2 2 344.503 3.158 20 30 EGEDLP C=CC[NH2+]C1(CC)CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001755069967 1440746141 /nfs/dbraw/zinc/74/61/41/1440746141.db2.gz NSJIYKKFVTYSES-QGZVFWFLSA-N 2 2 332.492 3.017 20 30 EGEDLP C=C(Cl)C[N@@H+](C)CCN(C(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001755812088 1440920910 /nfs/dbraw/zinc/92/09/10/1440920910.db2.gz LEDSGNHMLVZPCK-UHFFFAOYSA-N 2 2 348.878 3.178 20 30 EGEDLP C=C(Cl)C[N@H+](C)CCN(C(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001755812088 1440920911 /nfs/dbraw/zinc/92/09/11/1440920911.db2.gz LEDSGNHMLVZPCK-UHFFFAOYSA-N 2 2 348.878 3.178 20 30 EGEDLP C=C(C)CC[NH2+]C[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C(C)(C)C ZINC001755826853 1440927469 /nfs/dbraw/zinc/92/74/69/1440927469.db2.gz YXYFZXHSEWAYMW-INIZCTEOSA-N 2 2 334.508 3.013 20 30 EGEDLP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001755848821 1440934192 /nfs/dbraw/zinc/93/41/92/1440934192.db2.gz MIGIKCJBLMQMBR-HKUYNNGSSA-N 2 2 346.519 3.263 20 30 EGEDLP C[C@@H]1C[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)C[N@@H+]1C1CC1 ZINC000119563423 152214801 /nfs/dbraw/zinc/21/48/01/152214801.db2.gz SVGHDXYTCBOSML-SNXQWQLTSA-N 2 2 339.483 3.463 20 30 EGEDLP C[C@@H]1C[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)C[N@H+]1C1CC1 ZINC000119563423 152214807 /nfs/dbraw/zinc/21/48/07/152214807.db2.gz SVGHDXYTCBOSML-SNXQWQLTSA-N 2 2 339.483 3.463 20 30 EGEDLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000423494499 270049008 /nfs/dbraw/zinc/04/90/08/270049008.db2.gz AQAVKBPUVPDWLM-QFIPXVFZSA-N 2 2 348.494 3.379 20 30 EGEDLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000437155495 267017726 /nfs/dbraw/zinc/01/77/26/267017726.db2.gz MKZYPZGLQSCUNA-UHFFFAOYSA-N 2 2 337.414 3.466 20 30 EGEDLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000437155495 267017730 /nfs/dbraw/zinc/01/77/30/267017730.db2.gz MKZYPZGLQSCUNA-UHFFFAOYSA-N 2 2 337.414 3.466 20 30 EGEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC#Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000189998939 455269942 /nfs/dbraw/zinc/26/99/42/455269942.db2.gz RDPSJDDFIABPRC-XLIONFOSSA-N 2 2 348.918 3.418 20 30 EGEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC#Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000189998939 455269944 /nfs/dbraw/zinc/26/99/44/455269944.db2.gz RDPSJDDFIABPRC-XLIONFOSSA-N 2 2 348.918 3.418 20 30 EGEDLP Cc1nc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)sc1C ZINC000181842285 455388598 /nfs/dbraw/zinc/38/85/98/455388598.db2.gz ICCZYDFFLOSQAI-UHFFFAOYSA-N 2 2 340.496 3.386 20 30 EGEDLP COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134937627 454612489 /nfs/dbraw/zinc/61/24/89/454612489.db2.gz RZBFHINETHNWIM-APWZRJJASA-N 2 2 325.456 3.016 20 30 EGEDLP COc1ccc(C#N)cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134937627 454612494 /nfs/dbraw/zinc/61/24/94/454612494.db2.gz RZBFHINETHNWIM-APWZRJJASA-N 2 2 325.456 3.016 20 30 EGEDLP COc1ccc(C#N)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134937627 454612500 /nfs/dbraw/zinc/61/25/00/454612500.db2.gz RZBFHINETHNWIM-APWZRJJASA-N 2 2 325.456 3.016 20 30 EGEDLP COc1ccc(C#N)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134937627 454612505 /nfs/dbraw/zinc/61/25/05/454612505.db2.gz RZBFHINETHNWIM-APWZRJJASA-N 2 2 325.456 3.016 20 30 EGEDLP C=CCc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc(OC)c1O ZINC000093683535 454728765 /nfs/dbraw/zinc/72/87/65/454728765.db2.gz OGJQVQOTDOFLMI-QGZVFWFLSA-N 2 2 344.499 3.437 20 30 EGEDLP C=CCc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc(OC)c1O ZINC000093683535 454728769 /nfs/dbraw/zinc/72/87/69/454728769.db2.gz OGJQVQOTDOFLMI-QGZVFWFLSA-N 2 2 344.499 3.437 20 30 EGEDLP C=C(C)COc1cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)ccc1OC ZINC000093770743 454734331 /nfs/dbraw/zinc/73/43/31/454734331.db2.gz PPKNKARKCRDVGX-SFHVURJKSA-N 2 2 332.488 3.424 20 30 EGEDLP C=C(C)COc1cc(C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)ccc1OC ZINC000093770743 454734336 /nfs/dbraw/zinc/73/43/36/454734336.db2.gz PPKNKARKCRDVGX-SFHVURJKSA-N 2 2 332.488 3.424 20 30 EGEDLP C=C(C)COc1cc(C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)ccc1OC ZINC000093770743 454734339 /nfs/dbraw/zinc/73/43/39/454734339.db2.gz PPKNKARKCRDVGX-SFHVURJKSA-N 2 2 332.488 3.424 20 30 EGEDLP C=C(C)COc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)ccc1OC ZINC000093770743 454734343 /nfs/dbraw/zinc/73/43/43/454734343.db2.gz PPKNKARKCRDVGX-SFHVURJKSA-N 2 2 332.488 3.424 20 30 EGEDLP C#CCCOc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1 ZINC000113325176 454923102 /nfs/dbraw/zinc/92/31/02/454923102.db2.gz BKSJQBATPBBTGF-UHFFFAOYSA-N 2 2 346.434 3.268 20 30 EGEDLP CC1CC[NH+](C2CCC(/[NH+]=C/c3ccc(O)c(O)c3O)CC2)CC1 ZINC000129631647 455119427 /nfs/dbraw/zinc/11/94/27/455119427.db2.gz RSEHGCBIMIHTMU-UDWIEESQSA-N 2 2 332.444 3.265 20 30 EGEDLP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2ccc(C#N)o2)C[C@@H](C)O1 ZINC000237411773 455182954 /nfs/dbraw/zinc/18/29/54/455182954.db2.gz ZCUYLSSYPBLUHD-HZPDHXFCSA-N 2 2 339.439 3.050 20 30 EGEDLP C[NH+](C)C1CCN(c2ccc(NCc3ccc(C#N)cc3)[nH+]c2)CC1 ZINC000269110855 455791063 /nfs/dbraw/zinc/79/10/63/455791063.db2.gz BXTZMXCMHKGRLH-UHFFFAOYSA-N 2 2 335.455 3.096 20 30 EGEDLP C=CCc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc(OC)c1O ZINC000293565787 455791618 /nfs/dbraw/zinc/79/16/18/455791618.db2.gz GNLMKDRHQXFAHP-HXUWFJFHSA-N 2 2 330.472 3.047 20 30 EGEDLP C=CCc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc(OC)c1O ZINC000293565787 455791620 /nfs/dbraw/zinc/79/16/20/455791620.db2.gz GNLMKDRHQXFAHP-HXUWFJFHSA-N 2 2 330.472 3.047 20 30 EGEDLP C=CCc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc(OC)c1O ZINC000293565787 455791624 /nfs/dbraw/zinc/79/16/24/455791624.db2.gz GNLMKDRHQXFAHP-HXUWFJFHSA-N 2 2 330.472 3.047 20 30 EGEDLP C=CCc1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc(OC)c1O ZINC000293565787 455791626 /nfs/dbraw/zinc/79/16/26/455791626.db2.gz GNLMKDRHQXFAHP-HXUWFJFHSA-N 2 2 330.472 3.047 20 30 EGEDLP CCOC1CC(CO[NH+]=C(N)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000285215053 455806554 /nfs/dbraw/zinc/80/65/54/455806554.db2.gz PTYCRQMUXYQEHU-UHFFFAOYSA-N 2 2 345.487 3.125 20 30 EGEDLP C=C(C)COc1cc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)ccc1OC ZINC000272681509 456037537 /nfs/dbraw/zinc/03/75/37/456037537.db2.gz VNCNEDLXDJVLKK-ROUUACIJSA-N 2 2 330.472 3.176 20 30 EGEDLP C=C(C)COc1cc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)ccc1OC ZINC000272681509 456037542 /nfs/dbraw/zinc/03/75/42/456037542.db2.gz VNCNEDLXDJVLKK-ROUUACIJSA-N 2 2 330.472 3.176 20 30 EGEDLP C=C(C)COc1cc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)ccc1OC ZINC000272681509 456037544 /nfs/dbraw/zinc/03/75/44/456037544.db2.gz VNCNEDLXDJVLKK-ROUUACIJSA-N 2 2 330.472 3.176 20 30 EGEDLP C=C(C)COc1cc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)ccc1OC ZINC000272681509 456037550 /nfs/dbraw/zinc/03/75/50/456037550.db2.gz VNCNEDLXDJVLKK-ROUUACIJSA-N 2 2 330.472 3.176 20 30 EGEDLP N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000287883085 456080962 /nfs/dbraw/zinc/08/09/62/456080962.db2.gz SXHXPMURHKBCNO-CYBMUJFWSA-N 2 2 345.244 3.423 20 30 EGEDLP N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000287883085 456080965 /nfs/dbraw/zinc/08/09/65/456080965.db2.gz SXHXPMURHKBCNO-CYBMUJFWSA-N 2 2 345.244 3.423 20 30 EGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1OC ZINC000354087617 457054184 /nfs/dbraw/zinc/05/41/84/457054184.db2.gz DAQUWUZPUHEXNG-IBGZPJMESA-N 2 2 344.499 3.424 20 30 EGEDLP C=CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1OC ZINC000354087617 457054190 /nfs/dbraw/zinc/05/41/90/457054190.db2.gz DAQUWUZPUHEXNG-IBGZPJMESA-N 2 2 344.499 3.424 20 30 EGEDLP C=CCOc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1OC ZINC000354087617 457054193 /nfs/dbraw/zinc/05/41/93/457054193.db2.gz DAQUWUZPUHEXNG-IBGZPJMESA-N 2 2 344.499 3.424 20 30 EGEDLP C=CCOc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1OC ZINC000354087617 457054198 /nfs/dbraw/zinc/05/41/98/457054198.db2.gz DAQUWUZPUHEXNG-IBGZPJMESA-N 2 2 344.499 3.424 20 30 EGEDLP N#CCCCOc1cccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)c1 ZINC000351551375 457303907 /nfs/dbraw/zinc/30/39/07/457303907.db2.gz WAJFWVUMTVJNIL-UHFFFAOYSA-N 2 2 347.422 3.043 20 30 EGEDLP Cc1cc(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(C#N)c[nH+]1 ZINC000425204642 457461286 /nfs/dbraw/zinc/46/12/86/457461286.db2.gz ULPXJLYAFSVOFU-UHFFFAOYSA-N 2 2 340.858 3.414 20 30 EGEDLP Cc1cc(N2CC[NH+](Cc3ccc(CC#N)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000342762993 457506997 /nfs/dbraw/zinc/50/69/97/457506997.db2.gz ZWGFUFIHJZYMMT-UHFFFAOYSA-N 2 2 349.482 3.297 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422640256 458429120 /nfs/dbraw/zinc/42/91/20/458429120.db2.gz VHFVZOKDMDOAQE-XHSDSOJGSA-N 2 2 347.528 3.208 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422640256 458429122 /nfs/dbraw/zinc/42/91/22/458429122.db2.gz VHFVZOKDMDOAQE-XHSDSOJGSA-N 2 2 347.528 3.208 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442757983 459031304 /nfs/dbraw/zinc/03/13/04/459031304.db2.gz IANHJSXKRRCWKS-XYPWUTKMSA-N 2 2 345.512 3.118 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442757983 459031306 /nfs/dbraw/zinc/03/13/06/459031306.db2.gz IANHJSXKRRCWKS-XYPWUTKMSA-N 2 2 345.512 3.118 20 30 EGEDLP C=C(C)C[N@@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000481215149 459240143 /nfs/dbraw/zinc/24/01/43/459240143.db2.gz XDPDQMWGJLAJCB-GOSISDBHSA-N 2 2 349.906 3.101 20 30 EGEDLP N#CCSCCC[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000595551634 459343767 /nfs/dbraw/zinc/34/37/67/459343767.db2.gz JMKUXQZUVKOBPX-UHFFFAOYSA-N 2 2 328.485 3.464 20 30 EGEDLP C[C@H]([NH2+]C1(C[NH2+][C@H]2CC[C@@H](C#N)C2)CCOCC1)c1ccccc1 ZINC000562463007 459566383 /nfs/dbraw/zinc/56/63/83/459566383.db2.gz IIESWONPFNCYNX-SCTDSRPQSA-N 2 2 327.472 3.168 20 30 EGEDLP C#CC[N@H+](C)CCC[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000491751952 459666888 /nfs/dbraw/zinc/66/68/88/459666888.db2.gz VGPNTKYRIAFADQ-NRFANRHFSA-N 2 2 333.435 3.462 20 30 EGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000491751952 459666895 /nfs/dbraw/zinc/66/68/95/459666895.db2.gz VGPNTKYRIAFADQ-NRFANRHFSA-N 2 2 333.435 3.462 20 30 EGEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593687696 459951213 /nfs/dbraw/zinc/95/12/13/459951213.db2.gz MCBVZWICCUXKOA-UHFFFAOYSA-N 2 2 330.435 3.184 20 30 EGEDLP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CCO1 ZINC000593691870 459952077 /nfs/dbraw/zinc/95/20/77/459952077.db2.gz RENOFVIEFAXTED-WOJBJXKFSA-N 2 2 327.472 3.070 20 30 EGEDLP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1(C)C ZINC000593719225 459962093 /nfs/dbraw/zinc/96/20/93/459962093.db2.gz ADCXAYWIWCSZIB-UXHICEINSA-N 2 2 341.499 3.316 20 30 EGEDLP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1(C)C ZINC000593719228 459962582 /nfs/dbraw/zinc/96/25/82/459962582.db2.gz ADCXAYWIWCSZIB-WOJBJXKFSA-N 2 2 341.499 3.316 20 30 EGEDLP C[C@H](CCC#N)C[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000602539597 459988277 /nfs/dbraw/zinc/98/82/77/459988277.db2.gz RQYDJQPMLYJKBR-QGZVFWFLSA-N 2 2 348.922 3.382 20 30 EGEDLP CC[C@@H](C)[C@@H](C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)OC ZINC000602706431 460076768 /nfs/dbraw/zinc/07/67/68/460076768.db2.gz PGSIQCAECXDSGQ-OXQOHEQNSA-N 2 2 329.488 3.173 20 30 EGEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)cc1Cl ZINC000619754933 460432544 /nfs/dbraw/zinc/43/25/44/460432544.db2.gz OSWUOXGPLNNCEV-UHFFFAOYSA-N 2 2 340.858 3.361 20 30 EGEDLP C=CC[N@@H+](Cc1cc(Br)ccc1F)C[C@H]1CC[NH2+]C1 ZINC000647883281 461869804 /nfs/dbraw/zinc/86/98/04/461869804.db2.gz ASMPESPTKYGBCU-LBPRGKRZSA-N 2 2 327.241 3.186 20 30 EGEDLP C=CC[N@H+](Cc1cc(Br)ccc1F)C[C@H]1CC[NH2+]C1 ZINC000647883281 461869810 /nfs/dbraw/zinc/86/98/10/461869810.db2.gz ASMPESPTKYGBCU-LBPRGKRZSA-N 2 2 327.241 3.186 20 30 EGEDLP CN(CCC#N)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000039736749 522675573 /nfs/dbraw/zinc/67/55/73/522675573.db2.gz OMXDSJXHJATKBG-OAQYLSRUSA-N 2 2 348.494 3.401 20 30 EGEDLP CN(CCC#N)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000039736749 522675581 /nfs/dbraw/zinc/67/55/81/522675581.db2.gz OMXDSJXHJATKBG-OAQYLSRUSA-N 2 2 348.494 3.401 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)CC1 ZINC000177905792 526452984 /nfs/dbraw/zinc/45/29/84/526452984.db2.gz LKYDVLVHTULUDS-HNNXBMFYSA-N 2 2 342.487 3.272 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000152962172 526605584 /nfs/dbraw/zinc/60/55/84/526605584.db2.gz YMLBPANGWINJKR-RXVVDRJESA-N 2 2 327.516 3.280 20 30 EGEDLP CCC(CC)(CCO)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181845056 528645267 /nfs/dbraw/zinc/64/52/67/528645267.db2.gz LGLYMQZLDDGBEU-UHFFFAOYSA-N 2 2 343.515 3.301 20 30 EGEDLP CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC000303780979 1296851888 /nfs/dbraw/zinc/85/18/88/1296851888.db2.gz LURIZQBLTUKCBC-VQIMIIECSA-N 2 2 346.519 3.284 20 30 EGEDLP Cc1ccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)c(O)c1 ZINC000877614449 1299433630 /nfs/dbraw/zinc/43/36/30/1299433630.db2.gz DHTVNIOSVVKOOK-UHFFFAOYSA-N 2 2 335.451 3.327 20 30 EGEDLP C=CC[C@@H](C)[C@@H](C)[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000764675564 1302116272 /nfs/dbraw/zinc/11/62/72/1302116272.db2.gz FRNAAQPHQMRCFV-RTBURBONSA-N 2 2 345.531 3.398 20 30 EGEDLP C[C@H](C#N)Oc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000768240272 1302862296 /nfs/dbraw/zinc/86/22/96/1302862296.db2.gz RONSTILOBWPAIW-QGZVFWFLSA-N 2 2 327.472 3.428 20 30 EGEDLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(C#N)ccc2Br)C1 ZINC000921817182 1322404274 /nfs/dbraw/zinc/40/42/74/1322404274.db2.gz JBDAXSNMZYSDGR-HUUCEWRRSA-N 2 2 336.277 3.283 20 30 EGEDLP C=C(C)C[NH2+]C1CCC(NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001026586867 1324912890 /nfs/dbraw/zinc/91/28/90/1324912890.db2.gz BNORATFOOULIRB-UHFFFAOYSA-N 2 2 338.455 3.079 20 30 EGEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@@H]1C ZINC001071712510 1354871558 /nfs/dbraw/zinc/87/15/58/1354871558.db2.gz PGOIKRMYSCARBP-WMZOPIPTSA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@@H]1C ZINC001071712510 1354871564 /nfs/dbraw/zinc/87/15/64/1354871564.db2.gz PGOIKRMYSCARBP-WMZOPIPTSA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039222226 1344939824 /nfs/dbraw/zinc/93/98/24/1344939824.db2.gz DLMVVAJALPFHAE-MSOLQXFVSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039222226 1344939826 /nfs/dbraw/zinc/93/98/26/1344939826.db2.gz DLMVVAJALPFHAE-MSOLQXFVSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001050076850 1348174605 /nfs/dbraw/zinc/17/46/05/1348174605.db2.gz DRWVFNMXCRXVAB-HNAYVOBHSA-N 2 2 338.455 3.066 20 30 EGEDLP C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001050076850 1348174607 /nfs/dbraw/zinc/17/46/07/1348174607.db2.gz DRWVFNMXCRXVAB-HNAYVOBHSA-N 2 2 338.455 3.066 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053099383 1348931703 /nfs/dbraw/zinc/93/17/03/1348931703.db2.gz VXDZZWJNIPJRQA-IEBWSBKVSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053099383 1348931707 /nfs/dbraw/zinc/93/17/07/1348931707.db2.gz VXDZZWJNIPJRQA-IEBWSBKVSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCC[N@@H+]1Cc2ccc(CNC(=O)c3cc4c[nH+]ccc4[nH]3)cc2C1 ZINC001054269430 1349268277 /nfs/dbraw/zinc/26/82/77/1349268277.db2.gz AHGSCWPVKAXPNX-UHFFFAOYSA-N 2 2 346.434 3.385 20 30 EGEDLP C=CCC[N@H+]1Cc2ccc(CNC(=O)c3cc4c[nH+]ccc4[nH]3)cc2C1 ZINC001054269430 1349268282 /nfs/dbraw/zinc/26/82/82/1349268282.db2.gz AHGSCWPVKAXPNX-UHFFFAOYSA-N 2 2 346.434 3.385 20 30 EGEDLP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001089641646 1360554513 /nfs/dbraw/zinc/55/45/13/1360554513.db2.gz PXGZFXSCMAQYFZ-QGZVFWFLSA-N 2 2 340.471 3.049 20 30 EGEDLP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001089641646 1360554514 /nfs/dbraw/zinc/55/45/14/1360554514.db2.gz PXGZFXSCMAQYFZ-QGZVFWFLSA-N 2 2 340.471 3.049 20 30 EGEDLP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001099252489 1363715120 /nfs/dbraw/zinc/71/51/20/1363715120.db2.gz WOZDENBTXRKROW-SJORKVTESA-N 2 2 332.492 3.017 20 30 EGEDLP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001099252489 1363715121 /nfs/dbraw/zinc/71/51/21/1363715121.db2.gz WOZDENBTXRKROW-SJORKVTESA-N 2 2 332.492 3.017 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CC(C)(C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001101598243 1364648811 /nfs/dbraw/zinc/64/88/11/1364648811.db2.gz BCWLANMHOUHRNU-KRWDZBQOSA-N 2 2 346.519 3.092 20 30 EGEDLP C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001101598467 1364648921 /nfs/dbraw/zinc/64/89/21/1364648921.db2.gz OFTSOFAYDUHIKG-UHFFFAOYSA-N 2 2 346.519 3.094 20 30 EGEDLP CCCCCCC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001185504858 1387734935 /nfs/dbraw/zinc/73/49/35/1387734935.db2.gz XOMCSHWHWAZEKS-QZTJIDSGSA-N 2 2 348.535 3.007 20 30 EGEDLP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001109384944 1367097709 /nfs/dbraw/zinc/09/77/09/1367097709.db2.gz UKZXXWWBVUQIRZ-SQNIBIBYSA-N 2 2 332.492 3.034 20 30 EGEDLP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001109384944 1367097711 /nfs/dbraw/zinc/09/77/11/1367097711.db2.gz UKZXXWWBVUQIRZ-SQNIBIBYSA-N 2 2 332.492 3.034 20 30 EGEDLP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001109384944 1367097715 /nfs/dbraw/zinc/09/77/15/1367097715.db2.gz UKZXXWWBVUQIRZ-SQNIBIBYSA-N 2 2 332.492 3.034 20 30 EGEDLP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001109384944 1367097716 /nfs/dbraw/zinc/09/77/16/1367097716.db2.gz UKZXXWWBVUQIRZ-SQNIBIBYSA-N 2 2 332.492 3.034 20 30 EGEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001109433262 1367118210 /nfs/dbraw/zinc/11/82/10/1367118210.db2.gz GSMYPYBUNIUORR-YDZRNGNQSA-N 2 2 344.503 3.158 20 30 EGEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001109433262 1367118213 /nfs/dbraw/zinc/11/82/13/1367118213.db2.gz GSMYPYBUNIUORR-YDZRNGNQSA-N 2 2 344.503 3.158 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001111955846 1368574024 /nfs/dbraw/zinc/57/40/24/1368574024.db2.gz WUFNXUMTFZTIAG-PXNSSMCTSA-N 2 2 346.519 3.202 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001111955846 1368574027 /nfs/dbraw/zinc/57/40/27/1368574027.db2.gz WUFNXUMTFZTIAG-PXNSSMCTSA-N 2 2 346.519 3.202 20 30 EGEDLP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001196288152 1368584411 /nfs/dbraw/zinc/58/44/11/1368584411.db2.gz QHDTXSUDYVFIFW-HNNXBMFYSA-N 2 2 326.444 3.066 20 30 EGEDLP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001196288152 1368584413 /nfs/dbraw/zinc/58/44/13/1368584413.db2.gz QHDTXSUDYVFIFW-HNNXBMFYSA-N 2 2 326.444 3.066 20 30 EGEDLP CCCCCCC[N@@H+]1CCCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001198373590 1369017969 /nfs/dbraw/zinc/01/79/69/1369017969.db2.gz SZPKWMKRWSYCNX-UHFFFAOYSA-N 2 2 334.508 3.168 20 30 EGEDLP CCCCCCC[N@H+]1CCCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001198373590 1369017975 /nfs/dbraw/zinc/01/79/75/1369017975.db2.gz SZPKWMKRWSYCNX-UHFFFAOYSA-N 2 2 334.508 3.168 20 30 EGEDLP C=CCCCCCC[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001209437822 1372106189 /nfs/dbraw/zinc/10/61/89/1372106189.db2.gz VNAUMNOSRLVTDV-UXHICEINSA-N 2 2 330.520 3.310 20 30 EGEDLP C=CCCCCCC[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001209437822 1372106191 /nfs/dbraw/zinc/10/61/91/1372106191.db2.gz VNAUMNOSRLVTDV-UXHICEINSA-N 2 2 330.520 3.310 20 30 EGEDLP C=CCCCCCC[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001209437822 1372106192 /nfs/dbraw/zinc/10/61/92/1372106192.db2.gz VNAUMNOSRLVTDV-UXHICEINSA-N 2 2 330.520 3.310 20 30 EGEDLP C=CCCCCCC[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001209437822 1372106193 /nfs/dbraw/zinc/10/61/93/1372106193.db2.gz VNAUMNOSRLVTDV-UXHICEINSA-N 2 2 330.520 3.310 20 30 EGEDLP Cc1nc(O[C@H]2CCCC[NH2+]C2)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001217972778 1373522470 /nfs/dbraw/zinc/52/24/70/1373522470.db2.gz HIPURHAFAZQNCQ-KRWDZBQOSA-N 2 2 347.422 3.097 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001188255652 1388275705 /nfs/dbraw/zinc/27/57/05/1388275705.db2.gz TUDVJNGLWARGJK-DODZYUBVSA-N 2 2 344.503 3.016 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001188255652 1388275709 /nfs/dbraw/zinc/27/57/09/1388275709.db2.gz TUDVJNGLWARGJK-DODZYUBVSA-N 2 2 344.503 3.016 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001188255652 1388275712 /nfs/dbraw/zinc/27/57/12/1388275712.db2.gz TUDVJNGLWARGJK-DODZYUBVSA-N 2 2 344.503 3.016 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001188255652 1388275716 /nfs/dbraw/zinc/27/57/16/1388275716.db2.gz TUDVJNGLWARGJK-DODZYUBVSA-N 2 2 344.503 3.016 20 30 EGEDLP CC1(C)C[C@H]([NH2+]CCNc2ncccc2C#N)C[N@@H+]1Cc1ccccc1 ZINC001326740289 1388295484 /nfs/dbraw/zinc/29/54/84/1388295484.db2.gz FFOAGWWFIWXESO-IBGZPJMESA-N 2 2 349.482 3.008 20 30 EGEDLP CC1(C)C[C@H]([NH2+]CCNc2ncccc2C#N)C[N@H+]1Cc1ccccc1 ZINC001326740289 1388295493 /nfs/dbraw/zinc/29/54/93/1388295493.db2.gz FFOAGWWFIWXESO-IBGZPJMESA-N 2 2 349.482 3.008 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@H](NC(=O)CCc2[nH+]ccn2C)CC[C@@H]1C ZINC001132196233 1375202554 /nfs/dbraw/zinc/20/25/54/1375202554.db2.gz ZYNHDBXZFYXCTJ-ZWKOTPCHSA-N 2 2 348.535 3.292 20 30 EGEDLP CCCCCCC[N@H+]1C[C@H](NC(=O)CCc2[nH+]ccn2C)CC[C@@H]1C ZINC001132196233 1375202559 /nfs/dbraw/zinc/20/25/59/1375202559.db2.gz ZYNHDBXZFYXCTJ-ZWKOTPCHSA-N 2 2 348.535 3.292 20 30 EGEDLP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132781423 1375561381 /nfs/dbraw/zinc/56/13/81/1375561381.db2.gz BAHHWDWDYLINGB-ROUUACIJSA-N 2 2 346.519 3.163 20 30 EGEDLP C[N@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc(C#N)cc2O)CC1 ZINC001233386275 1376634050 /nfs/dbraw/zinc/63/40/50/1376634050.db2.gz NAMYIXVVHUOPQA-UHFFFAOYSA-N 2 2 335.451 3.360 20 30 EGEDLP C[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc(C#N)cc2O)CC1 ZINC001233386275 1376634054 /nfs/dbraw/zinc/63/40/54/1376634054.db2.gz NAMYIXVVHUOPQA-UHFFFAOYSA-N 2 2 335.451 3.360 20 30 EGEDLP N#Cc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C4CCCC4)C3)C2)c(O)c1 ZINC001276494227 1378175587 /nfs/dbraw/zinc/17/55/87/1378175587.db2.gz QREIVUAZOLRKDZ-NRFANRHFSA-N 2 2 339.483 3.494 20 30 EGEDLP N#Cc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C4CCCC4)C3)C2)c(O)c1 ZINC001276494227 1378175589 /nfs/dbraw/zinc/17/55/89/1378175589.db2.gz QREIVUAZOLRKDZ-NRFANRHFSA-N 2 2 339.483 3.494 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C4CCCC4)C3)C2)c(O)c1 ZINC001276494227 1378175591 /nfs/dbraw/zinc/17/55/91/1378175591.db2.gz QREIVUAZOLRKDZ-NRFANRHFSA-N 2 2 339.483 3.494 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C4CCCC4)C3)C2)c(O)c1 ZINC001276494227 1378175593 /nfs/dbraw/zinc/17/55/93/1378175593.db2.gz QREIVUAZOLRKDZ-NRFANRHFSA-N 2 2 339.483 3.494 20 30 EGEDLP N#Cc1cccc(N[C@@]23CC[C@@]([NH2+]CCn4cc[nH+]c4)(C2)CCC3)c1 ZINC001276953195 1378196717 /nfs/dbraw/zinc/19/67/17/1378196717.db2.gz GWXHPSZRMLFWDZ-UXHICEINSA-N 2 2 335.455 3.302 20 30 EGEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141113685 1378242262 /nfs/dbraw/zinc/24/22/62/1378242262.db2.gz OOXLHGXVTPIZQG-LLVKDONJSA-N 2 2 348.859 3.212 20 30 EGEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141113685 1378242267 /nfs/dbraw/zinc/24/22/67/1378242267.db2.gz OOXLHGXVTPIZQG-LLVKDONJSA-N 2 2 348.859 3.212 20 30 EGEDLP C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001154083197 1380202159 /nfs/dbraw/zinc/20/21/59/1380202159.db2.gz LSXQGCXCWJXXOG-QZTJIDSGSA-N 2 2 346.519 3.019 20 30 EGEDLP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001154083197 1380202162 /nfs/dbraw/zinc/20/21/62/1380202162.db2.gz LSXQGCXCWJXXOG-QZTJIDSGSA-N 2 2 346.519 3.019 20 30 EGEDLP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001157957474 1381081456 /nfs/dbraw/zinc/08/14/56/1381081456.db2.gz AZZGVSOMMZJLHK-GOSISDBHSA-N 2 2 340.471 3.145 20 30 EGEDLP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001157957474 1381081460 /nfs/dbraw/zinc/08/14/60/1381081460.db2.gz AZZGVSOMMZJLHK-GOSISDBHSA-N 2 2 340.471 3.145 20 30 EGEDLP C=CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001158468355 1381254182 /nfs/dbraw/zinc/25/41/82/1381254182.db2.gz UEVRMBIINBTGCB-IAGOWNOFSA-N 2 2 344.503 3.109 20 30 EGEDLP C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001158468355 1381254184 /nfs/dbraw/zinc/25/41/84/1381254184.db2.gz UEVRMBIINBTGCB-IAGOWNOFSA-N 2 2 344.503 3.109 20 30 EGEDLP ONC(=[NH+]c1ccc2c(c1)C[NH2+]C2)c1ccc(OC(F)(F)F)cc1 ZINC001163769033 1383120429 /nfs/dbraw/zinc/12/04/29/1383120429.db2.gz LOZPIWPLCZGAFR-UHFFFAOYSA-N 2 2 337.301 3.246 20 30 EGEDLP N#Cc1c[nH]c2cc[nH+]c(N3[C@@H](C(F)(F)F)CCC34CC[NH2+]CC4)c12 ZINC001165306996 1383270655 /nfs/dbraw/zinc/27/06/55/1383270655.db2.gz VMUMEQHLVFNHOS-CYBMUJFWSA-N 2 2 349.360 3.088 20 30 EGEDLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171224684 1384473108 /nfs/dbraw/zinc/47/31/08/1384473108.db2.gz UEMHMUQFMNUJJY-UWJYYQICSA-N 2 2 341.499 3.064 20 30 EGEDLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171224684 1384473112 /nfs/dbraw/zinc/47/31/12/1384473112.db2.gz UEMHMUQFMNUJJY-UWJYYQICSA-N 2 2 341.499 3.064 20 30 EGEDLP C=CCOC1CCC([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001173311882 1384956075 /nfs/dbraw/zinc/95/60/75/1384956075.db2.gz QKHOKAVGZCTFFW-UHFFFAOYSA-N 2 2 344.499 3.122 20 30 EGEDLP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001177342060 1385921676 /nfs/dbraw/zinc/92/16/76/1385921676.db2.gz IJDRANHFDIAAOJ-QZTJIDSGSA-N 2 2 344.503 3.088 20 30 EGEDLP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001177342060 1385921680 /nfs/dbraw/zinc/92/16/80/1385921680.db2.gz IJDRANHFDIAAOJ-QZTJIDSGSA-N 2 2 344.503 3.088 20 30 EGEDLP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001177413184 1385947774 /nfs/dbraw/zinc/94/77/74/1385947774.db2.gz OGWATNCGSOZVBW-KRWDZBQOSA-N 2 2 344.503 3.014 20 30 EGEDLP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001732086441 1428347337 /nfs/dbraw/zinc/34/73/37/1428347337.db2.gz CHUUFNOIHCRUPY-UHFFFAOYSA-N 2 2 346.862 3.099 20 30 EGEDLP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001732086441 1428347339 /nfs/dbraw/zinc/34/73/39/1428347339.db2.gz CHUUFNOIHCRUPY-UHFFFAOYSA-N 2 2 346.862 3.099 20 30 EGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccccc2OCc2cccnc2)CC1 ZINC000236661719 242311196 /nfs/dbraw/zinc/31/11/96/242311196.db2.gz YYZKNZOJOMYQCR-UHFFFAOYSA-N 2 2 337.467 3.401 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000268858567 252306291 /nfs/dbraw/zinc/30/62/91/252306291.db2.gz HFORFFYPLHEEKJ-WIYYLYMNSA-N 3 2 327.516 3.280 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000268858567 252306296 /nfs/dbraw/zinc/30/62/96/252306296.db2.gz HFORFFYPLHEEKJ-WIYYLYMNSA-N 3 2 327.516 3.280 20 30 EGEDLP C=CCN1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000268858567 252306301 /nfs/dbraw/zinc/30/63/01/252306301.db2.gz HFORFFYPLHEEKJ-WIYYLYMNSA-N 2 2 327.516 3.280 20 30 EGEDLP C=CCN1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000268858567 252306303 /nfs/dbraw/zinc/30/63/03/252306303.db2.gz HFORFFYPLHEEKJ-WIYYLYMNSA-N 2 2 327.516 3.280 20 30 EGEDLP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)ccc1C#N ZINC000310736409 154145195 /nfs/dbraw/zinc/14/51/95/154145195.db2.gz DTPNEZKHAMQYMI-OXJNMPFZSA-N 2 2 335.451 3.319 20 30 EGEDLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)ccc1C#N ZINC000310736409 154145198 /nfs/dbraw/zinc/14/51/98/154145198.db2.gz DTPNEZKHAMQYMI-OXJNMPFZSA-N 2 2 335.451 3.319 20 30 EGEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(C#N)ccc3Br)CC[C@H]21 ZINC000249089262 163055877 /nfs/dbraw/zinc/05/58/77/163055877.db2.gz SMZDEEYEDUZPSN-WMLDXEAASA-N 2 2 348.288 3.237 20 30 EGEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(C#N)ccc3Br)CC[C@H]21 ZINC000249089262 163055878 /nfs/dbraw/zinc/05/58/78/163055878.db2.gz SMZDEEYEDUZPSN-WMLDXEAASA-N 2 2 348.288 3.237 20 30 EGEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(C#N)ccc3Br)CC[C@H]21 ZINC000249089262 163055881 /nfs/dbraw/zinc/05/58/81/163055881.db2.gz SMZDEEYEDUZPSN-WMLDXEAASA-N 2 2 348.288 3.237 20 30 EGEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(C#N)ccc3Br)CC[C@H]21 ZINC000249089262 163055883 /nfs/dbraw/zinc/05/58/83/163055883.db2.gz SMZDEEYEDUZPSN-WMLDXEAASA-N 2 2 348.288 3.237 20 30 EGEDLP COCC[N@H+](C)CC[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccccc1 ZINC000344274874 164144262 /nfs/dbraw/zinc/14/42/62/164144262.db2.gz VCMWAQCQGWALEF-LJQANCHMSA-N 2 2 343.496 3.419 20 30 EGEDLP COCC[N@@H+](C)CC[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccccc1 ZINC000344274874 164144265 /nfs/dbraw/zinc/14/42/65/164144265.db2.gz VCMWAQCQGWALEF-LJQANCHMSA-N 2 2 343.496 3.419 20 30 EGEDLP Cc1cc(N)cc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000423481881 270049227 /nfs/dbraw/zinc/04/92/27/270049227.db2.gz QZUPISCIWGQSKP-UHFFFAOYSA-N 2 2 334.467 3.203 20 30 EGEDLP C[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000285885253 267162623 /nfs/dbraw/zinc/16/26/23/267162623.db2.gz ZSVBGXRTCWSQOT-ZWKOTPCHSA-N 2 2 340.515 3.237 20 30 EGEDLP C[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000285885253 267162625 /nfs/dbraw/zinc/16/26/25/267162625.db2.gz ZSVBGXRTCWSQOT-ZWKOTPCHSA-N 2 2 340.515 3.237 20 30 EGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccc(C#N)c(F)c1 ZINC000271930771 267180182 /nfs/dbraw/zinc/18/01/82/267180182.db2.gz LBDNGFCLVMGEQJ-HNNXBMFYSA-N 2 2 338.430 3.408 20 30 EGEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1F ZINC000449737913 268232486 /nfs/dbraw/zinc/23/24/86/268232486.db2.gz VTGZFRGAVFIYRO-UHFFFAOYSA-N 2 2 329.341 3.204 20 30 EGEDLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1cccc(C#N)c1 ZINC000181441808 455335393 /nfs/dbraw/zinc/33/53/93/455335393.db2.gz UNOXWRCHVLTLGA-LJQANCHMSA-N 2 2 348.494 3.421 20 30 EGEDLP CO[C@]1(C)C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000181844366 455389530 /nfs/dbraw/zinc/38/95/30/455389530.db2.gz VFRGHXYBVOOYNE-PZJWPPBQSA-N 2 2 341.499 3.316 20 30 EGEDLP C=CC[NH+]1CCC([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000268928687 455734295 /nfs/dbraw/zinc/73/42/95/455734295.db2.gz YWWZENRGRIWLIH-UHFFFAOYSA-N 3 2 345.506 3.073 20 30 EGEDLP CC(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000271818888 455773752 /nfs/dbraw/zinc/77/37/52/455773752.db2.gz BYDYWGMHWMGHBN-SFTDATJTSA-N 2 2 341.499 3.316 20 30 EGEDLP CCOC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCC1 ZINC000293133353 455775457 /nfs/dbraw/zinc/77/54/57/455775457.db2.gz ZXUBZDPGWYDSHA-UHFFFAOYSA-N 2 2 341.499 3.462 20 30 EGEDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1ccc(OCC#N)cc1 ZINC000285503210 455859120 /nfs/dbraw/zinc/85/91/20/455859120.db2.gz CUQGBHQMYDOJRY-UHFFFAOYSA-N 2 2 327.428 3.136 20 30 EGEDLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1ccc(OCC#N)cc1 ZINC000285503210 455859128 /nfs/dbraw/zinc/85/91/28/455859128.db2.gz CUQGBHQMYDOJRY-UHFFFAOYSA-N 2 2 327.428 3.136 20 30 EGEDLP C[NH+](CCC[N@H+](C)Cc1ccc(OCC#N)cc1)Cc1ccco1 ZINC000285503210 455859131 /nfs/dbraw/zinc/85/91/31/455859131.db2.gz CUQGBHQMYDOJRY-UHFFFAOYSA-N 2 2 327.428 3.136 20 30 EGEDLP C[NH+](CCC[N@@H+](C)Cc1ccc(OCC#N)cc1)Cc1ccco1 ZINC000285503210 455859136 /nfs/dbraw/zinc/85/91/36/455859136.db2.gz CUQGBHQMYDOJRY-UHFFFAOYSA-N 2 2 327.428 3.136 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccnn2-c2ccccc2OC)CC1 ZINC000281593749 456272517 /nfs/dbraw/zinc/27/25/17/456272517.db2.gz JNSWPFAJLWCJQP-UHFFFAOYSA-N 2 2 340.471 3.011 20 30 EGEDLP C=C(C)COc1cc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)ccc1OC ZINC000344837380 456867033 /nfs/dbraw/zinc/86/70/33/456867033.db2.gz LGLSXHFZYZCUAQ-QAPCUYQASA-N 2 2 330.472 3.222 20 30 EGEDLP C=C(C)COc1cc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)ccc1OC ZINC000344837380 456867037 /nfs/dbraw/zinc/86/70/37/456867037.db2.gz LGLSXHFZYZCUAQ-QAPCUYQASA-N 2 2 330.472 3.222 20 30 EGEDLP N#Cc1cccc(COc2cccc(C[NH2+][C@@H]3CC[N@@H+](C4CC4)C3)c2)c1 ZINC000356875131 457191969 /nfs/dbraw/zinc/19/19/69/457191969.db2.gz YBQABHAQVSMDTH-HXUWFJFHSA-N 2 2 347.462 3.464 20 30 EGEDLP N#Cc1cccc(COc2cccc(C[NH2+][C@@H]3CC[N@H+](C4CC4)C3)c2)c1 ZINC000356875131 457191975 /nfs/dbraw/zinc/19/19/75/457191975.db2.gz YBQABHAQVSMDTH-HXUWFJFHSA-N 2 2 347.462 3.464 20 30 EGEDLP N#CCC[C@H](C#N)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000360617671 457321556 /nfs/dbraw/zinc/32/15/56/457321556.db2.gz HWYODPODUFYBKM-RTWAWAEBSA-N 2 2 336.483 3.418 20 30 EGEDLP N#CCC[C@H](C#N)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000360617671 457321560 /nfs/dbraw/zinc/32/15/60/457321560.db2.gz HWYODPODUFYBKM-RTWAWAEBSA-N 2 2 336.483 3.418 20 30 EGEDLP N#CCC[C@H](C#N)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000360617671 457321563 /nfs/dbraw/zinc/32/15/63/457321563.db2.gz HWYODPODUFYBKM-RTWAWAEBSA-N 2 2 336.483 3.418 20 30 EGEDLP N#CCC[C@H](C#N)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000360617671 457321566 /nfs/dbraw/zinc/32/15/66/457321566.db2.gz HWYODPODUFYBKM-RTWAWAEBSA-N 2 2 336.483 3.418 20 30 EGEDLP N#CCC[C@@H](C#N)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000360617672 457321669 /nfs/dbraw/zinc/32/16/69/457321669.db2.gz HWYODPODUFYBKM-SFTDATJTSA-N 2 2 336.483 3.418 20 30 EGEDLP N#CCC[C@@H](C#N)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000360617672 457321672 /nfs/dbraw/zinc/32/16/72/457321672.db2.gz HWYODPODUFYBKM-SFTDATJTSA-N 2 2 336.483 3.418 20 30 EGEDLP N#CCC[C@@H](C#N)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000360617672 457321676 /nfs/dbraw/zinc/32/16/76/457321676.db2.gz HWYODPODUFYBKM-SFTDATJTSA-N 2 2 336.483 3.418 20 30 EGEDLP N#CCC[C@@H](C#N)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000360617672 457321678 /nfs/dbraw/zinc/32/16/78/457321678.db2.gz HWYODPODUFYBKM-SFTDATJTSA-N 2 2 336.483 3.418 20 30 EGEDLP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)ccc1C#N ZINC000390641618 457440476 /nfs/dbraw/zinc/44/04/76/457440476.db2.gz KXCMMSGTYVPHPZ-FQEVSTJZSA-N 2 2 335.451 3.321 20 30 EGEDLP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)ccc1C#N ZINC000390641618 457440484 /nfs/dbraw/zinc/44/04/84/457440484.db2.gz KXCMMSGTYVPHPZ-FQEVSTJZSA-N 2 2 335.451 3.321 20 30 EGEDLP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)ccc1C#N ZINC000390641619 457440893 /nfs/dbraw/zinc/44/08/93/457440893.db2.gz KXCMMSGTYVPHPZ-HXUWFJFHSA-N 2 2 335.451 3.321 20 30 EGEDLP COc1cc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)ccc1C#N ZINC000390641619 457440896 /nfs/dbraw/zinc/44/08/96/457440896.db2.gz KXCMMSGTYVPHPZ-HXUWFJFHSA-N 2 2 335.451 3.321 20 30 EGEDLP Cc1cc(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(C#N)c[nH+]1 ZINC000425257954 457473222 /nfs/dbraw/zinc/47/32/22/457473222.db2.gz VJGWXPUBDUMFTG-NRFANRHFSA-N 2 2 332.451 3.364 20 30 EGEDLP Cc1cc(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(C#N)c[nH+]1 ZINC000425257954 457473227 /nfs/dbraw/zinc/47/32/27/457473227.db2.gz VJGWXPUBDUMFTG-NRFANRHFSA-N 2 2 332.451 3.364 20 30 EGEDLP Cc1cc(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(C#N)c[nH+]1 ZINC000425257955 457474554 /nfs/dbraw/zinc/47/45/54/457474554.db2.gz VJGWXPUBDUMFTG-OAQYLSRUSA-N 2 2 332.451 3.364 20 30 EGEDLP Cc1cc(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(C#N)c[nH+]1 ZINC000425257955 457474559 /nfs/dbraw/zinc/47/45/59/457474559.db2.gz VJGWXPUBDUMFTG-OAQYLSRUSA-N 2 2 332.451 3.364 20 30 EGEDLP COc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1C#N ZINC000361072346 457564519 /nfs/dbraw/zinc/56/45/19/457564519.db2.gz DGWSDODITPCKNA-UHFFFAOYSA-N 2 2 338.455 3.456 20 30 EGEDLP CC(C)(C)CC[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000361431729 457730109 /nfs/dbraw/zinc/73/01/09/457730109.db2.gz FREMRVCZLFNHJJ-FQEVSTJZSA-N 2 2 343.515 3.299 20 30 EGEDLP COCCC1([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000361434454 457731093 /nfs/dbraw/zinc/73/10/93/457731093.db2.gz CXWZKKMFQOYPHB-UHFFFAOYSA-N 2 2 327.472 3.071 20 30 EGEDLP Cc1cc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)ccc1C#N ZINC000443994141 457836260 /nfs/dbraw/zinc/83/62/60/457836260.db2.gz RSJMWZWTXIUJNN-UHFFFAOYSA-N 2 2 330.435 3.444 20 30 EGEDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000361851938 457908172 /nfs/dbraw/zinc/90/81/72/457908172.db2.gz ZZXNDWIIXRRRCP-MGPUTAFESA-N 2 2 338.430 3.093 20 30 EGEDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000361851938 457908176 /nfs/dbraw/zinc/90/81/76/457908176.db2.gz ZZXNDWIIXRRRCP-MGPUTAFESA-N 2 2 338.430 3.093 20 30 EGEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000376042203 458174200 /nfs/dbraw/zinc/17/42/00/458174200.db2.gz CKPWOTSTCXRSTH-SFHVURJKSA-N 2 2 338.455 3.482 20 30 EGEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000376042203 458174208 /nfs/dbraw/zinc/17/42/08/458174208.db2.gz CKPWOTSTCXRSTH-SFHVURJKSA-N 2 2 338.455 3.482 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000435628434 458176563 /nfs/dbraw/zinc/17/65/63/458176563.db2.gz QTKLRPHDXAUCIY-MRXNPFEDSA-N 2 2 347.528 3.367 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[N@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000435628434 458176569 /nfs/dbraw/zinc/17/65/69/458176569.db2.gz QTKLRPHDXAUCIY-MRXNPFEDSA-N 2 2 347.528 3.367 20 30 EGEDLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(C#N)cc1OC(F)F ZINC000437883983 458507953 /nfs/dbraw/zinc/50/79/53/458507953.db2.gz YCMIQIQOZQIULG-MRXNPFEDSA-N 2 2 337.414 3.466 20 30 EGEDLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(C#N)cc1OC(F)F ZINC000437883983 458507955 /nfs/dbraw/zinc/50/79/55/458507955.db2.gz YCMIQIQOZQIULG-MRXNPFEDSA-N 2 2 337.414 3.466 20 30 EGEDLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(C#N)cc1OC(F)F ZINC000437883983 458507956 /nfs/dbraw/zinc/50/79/56/458507956.db2.gz YCMIQIQOZQIULG-MRXNPFEDSA-N 2 2 337.414 3.466 20 30 EGEDLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(C#N)cc1OC(F)F ZINC000437883983 458507959 /nfs/dbraw/zinc/50/79/59/458507959.db2.gz YCMIQIQOZQIULG-MRXNPFEDSA-N 2 2 337.414 3.466 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(NC(C)=O)cc2OC)CC1 ZINC000438992807 458638477 /nfs/dbraw/zinc/63/84/77/458638477.db2.gz TYBJTKMLIABQPR-OAHLLOKOSA-N 2 2 345.487 3.345 20 30 EGEDLP N#CCC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000594503441 459065513 /nfs/dbraw/zinc/06/55/13/459065513.db2.gz WJYKXFZWKQSVSU-PMACEKPBSA-N 2 2 327.472 3.264 20 30 EGEDLP N#Cc1cccnc1OC1CCC([NH2+]Cc2cccc3[nH+]ccn32)CC1 ZINC000525833509 459502354 /nfs/dbraw/zinc/50/23/54/459502354.db2.gz ILOGFKRQQOFYIR-UHFFFAOYSA-N 2 2 347.422 3.081 20 30 EGEDLP Cc1cc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)nc(C2CC2)[nH+]1 ZINC000593515682 459913279 /nfs/dbraw/zinc/91/32/79/459913279.db2.gz QKTSBLJOVPFEMC-UHFFFAOYSA-N 2 2 347.466 3.033 20 30 EGEDLP CC[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CCO1 ZINC000593691867 459952713 /nfs/dbraw/zinc/95/27/13/459952713.db2.gz RENOFVIEFAXTED-PMACEKPBSA-N 2 2 327.472 3.070 20 30 EGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccc4c(n3)CCC4)CC2)c1 ZINC000593695385 459955989 /nfs/dbraw/zinc/95/59/89/459955989.db2.gz NBSHHKJMEOWVPU-UHFFFAOYSA-N 2 2 346.478 3.196 20 30 EGEDLP Cc1ccc([C@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)[NH+](C)C)cc1 ZINC000602524607 459983149 /nfs/dbraw/zinc/98/31/49/459983149.db2.gz NFQVJRBFUMVPAK-HKUYNNGSSA-N 2 2 329.488 3.286 20 30 EGEDLP N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000617196430 460773139 /nfs/dbraw/zinc/77/31/39/460773139.db2.gz INFPFBRENQCGHN-HNNXBMFYSA-N 2 2 345.244 3.354 20 30 EGEDLP N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000617196430 460773147 /nfs/dbraw/zinc/77/31/47/460773147.db2.gz INFPFBRENQCGHN-HNNXBMFYSA-N 2 2 345.244 3.354 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3F)nc2C)CC1 ZINC000655729514 461397217 /nfs/dbraw/zinc/39/72/17/461397217.db2.gz BHFUPXRCPVGGMD-UHFFFAOYSA-N 2 2 342.462 3.450 20 30 EGEDLP CC[NH+]=C(NC[C@@H]1CC=CCC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261966202 1296612216 /nfs/dbraw/zinc/61/22/16/1296612216.db2.gz LMDWDWOJQGBIEQ-KSZLIROESA-N 2 2 329.492 3.088 20 30 EGEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCCCC2(C#N)CCC2)cc1 ZINC000902717472 1317608771 /nfs/dbraw/zinc/60/87/71/1317608771.db2.gz PKQXLEWOEXBFHV-UHFFFAOYSA-N 2 2 328.460 3.249 20 30 EGEDLP C=CCOc1cccc(C[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000841040247 1321206644 /nfs/dbraw/zinc/20/66/44/1321206644.db2.gz JTKFRUIGPSHLDH-HXUWFJFHSA-N 2 2 325.456 3.107 20 30 EGEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC2CCC(F)(F)CC2)cc1 ZINC000842036983 1321338068 /nfs/dbraw/zinc/33/80/68/1321338068.db2.gz SFVQTVSQZTZJTO-UHFFFAOYSA-N 2 2 325.403 3.211 20 30 EGEDLP CN(C)c1ccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000846108133 1321768417 /nfs/dbraw/zinc/76/84/17/1321768417.db2.gz VRUVYTKWWXZEFX-UHFFFAOYSA-N 2 2 348.494 3.378 20 30 EGEDLP CC1(C)C[N@H+](CC[NH+]=C(Nc2ccccc2)N2CCCCC2)CCO1 ZINC000849075015 1322067597 /nfs/dbraw/zinc/06/75/97/1322067597.db2.gz ZOHURIYNZGNUDL-UHFFFAOYSA-N 2 2 344.503 3.051 20 30 EGEDLP CC1(C)C[N@@H+](CC[NH+]=C(Nc2ccccc2)N2CCCCC2)CCO1 ZINC000849075015 1322067604 /nfs/dbraw/zinc/06/76/04/1322067604.db2.gz ZOHURIYNZGNUDL-UHFFFAOYSA-N 2 2 344.503 3.051 20 30 EGEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811562 1323714380 /nfs/dbraw/zinc/71/43/80/1323714380.db2.gz UXVAVTQJSJFATO-GOSISDBHSA-N 2 2 349.906 3.085 20 30 EGEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811562 1323714386 /nfs/dbraw/zinc/71/43/86/1323714386.db2.gz UXVAVTQJSJFATO-GOSISDBHSA-N 2 2 349.906 3.085 20 30 EGEDLP C=C(C)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025422324 1324256081 /nfs/dbraw/zinc/25/60/81/1324256081.db2.gz IAYBBPYVMDSSIF-WMZOPIPTSA-N 2 2 340.471 3.049 20 30 EGEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025422324 1324256086 /nfs/dbraw/zinc/25/60/86/1324256086.db2.gz IAYBBPYVMDSSIF-WMZOPIPTSA-N 2 2 340.471 3.049 20 30 EGEDLP C=CCC[N@H+]1CCC[C@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000948372675 1333498882 /nfs/dbraw/zinc/49/88/82/1333498882.db2.gz GVOVKNGWUOVIBI-SFHVURJKSA-N 2 2 340.471 3.145 20 30 EGEDLP C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000948372675 1333498885 /nfs/dbraw/zinc/49/88/85/1333498885.db2.gz GVOVKNGWUOVIBI-SFHVURJKSA-N 2 2 340.471 3.145 20 30 EGEDLP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)CC2 ZINC001035231657 1343053107 /nfs/dbraw/zinc/05/31/07/1343053107.db2.gz PRWANUCKTGJWOK-GOSISDBHSA-N 2 2 344.503 3.115 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)CC2 ZINC001035231657 1343053110 /nfs/dbraw/zinc/05/31/10/1343053110.db2.gz PRWANUCKTGJWOK-GOSISDBHSA-N 2 2 344.503 3.115 20 30 EGEDLP C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053088319 1348913097 /nfs/dbraw/zinc/91/30/97/1348913097.db2.gz SPCSIVGPGHGCPB-PKOBYXMFSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053088319 1348913101 /nfs/dbraw/zinc/91/31/01/1348913101.db2.gz SPCSIVGPGHGCPB-PKOBYXMFSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053088319 1348913105 /nfs/dbraw/zinc/91/31/05/1348913105.db2.gz SPCSIVGPGHGCPB-PKOBYXMFSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053088319 1348913111 /nfs/dbraw/zinc/91/31/11/1348913111.db2.gz SPCSIVGPGHGCPB-PKOBYXMFSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053099382 1348931164 /nfs/dbraw/zinc/93/11/64/1348931164.db2.gz VXDZZWJNIPJRQA-HKUYNNGSSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053099382 1348931166 /nfs/dbraw/zinc/93/11/66/1348931166.db2.gz VXDZZWJNIPJRQA-HKUYNNGSSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001054204840 1349206023 /nfs/dbraw/zinc/20/60/23/1349206023.db2.gz FGSSNSILRMIIHM-QUCCMNQESA-N 2 2 344.503 3.115 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001054204840 1349206027 /nfs/dbraw/zinc/20/60/27/1349206027.db2.gz FGSSNSILRMIIHM-QUCCMNQESA-N 2 2 344.503 3.115 20 30 EGEDLP C=C(C)CC[N@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001071611127 1354795765 /nfs/dbraw/zinc/79/57/65/1354795765.db2.gz ZMYAFCTYFMBJCE-GDBMZVCRSA-N 2 2 326.444 3.112 20 30 EGEDLP C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001071611127 1354795769 /nfs/dbraw/zinc/79/57/69/1354795769.db2.gz ZMYAFCTYFMBJCE-GDBMZVCRSA-N 2 2 326.444 3.112 20 30 EGEDLP CCCCCCC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001184532472 1387485871 /nfs/dbraw/zinc/48/58/71/1387485871.db2.gz AAKGKCKVXYGADQ-QZTJIDSGSA-N 2 2 348.535 3.387 20 30 EGEDLP CCCCCCC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001184532472 1387485873 /nfs/dbraw/zinc/48/58/73/1387485873.db2.gz AAKGKCKVXYGADQ-QZTJIDSGSA-N 2 2 348.535 3.387 20 30 EGEDLP C=CCCCCC[NH2+]C1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001100445926 1364117462 /nfs/dbraw/zinc/11/74/62/1364117462.db2.gz GJUFKBOIPRQKTJ-UHFFFAOYSA-N 2 2 340.471 3.407 20 30 EGEDLP CCCCCCC[NH2+]C1CC(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001100744352 1364244446 /nfs/dbraw/zinc/24/44/46/1364244446.db2.gz UKVJBMFIBCPEHP-GTPINHCMSA-N 2 2 334.508 3.043 20 30 EGEDLP CCCCCCC[NH2+]C1CC(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001100744352 1364244450 /nfs/dbraw/zinc/24/44/50/1364244450.db2.gz UKVJBMFIBCPEHP-GTPINHCMSA-N 2 2 334.508 3.043 20 30 EGEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001103145690 1365408561 /nfs/dbraw/zinc/40/85/61/1365408561.db2.gz PPLPYLBYGWKQSO-HZPDHXFCSA-N 2 2 340.471 3.217 20 30 EGEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001103145690 1365408562 /nfs/dbraw/zinc/40/85/62/1365408562.db2.gz PPLPYLBYGWKQSO-HZPDHXFCSA-N 2 2 340.471 3.217 20 30 EGEDLP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001104352409 1365983085 /nfs/dbraw/zinc/98/30/85/1365983085.db2.gz UGQPDVXKEZQZPN-HZPDHXFCSA-N 2 2 340.471 3.217 20 30 EGEDLP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001110641623 1367885835 /nfs/dbraw/zinc/88/58/35/1367885835.db2.gz UKZXXWWBVUQIRZ-KURKYZTESA-N 2 2 332.492 3.034 20 30 EGEDLP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001110641623 1367885844 /nfs/dbraw/zinc/88/58/44/1367885844.db2.gz UKZXXWWBVUQIRZ-KURKYZTESA-N 2 2 332.492 3.034 20 30 EGEDLP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001110641623 1367885850 /nfs/dbraw/zinc/88/58/50/1367885850.db2.gz UKZXXWWBVUQIRZ-KURKYZTESA-N 2 2 332.492 3.034 20 30 EGEDLP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001110641623 1367885853 /nfs/dbraw/zinc/88/58/53/1367885853.db2.gz UKZXXWWBVUQIRZ-KURKYZTESA-N 2 2 332.492 3.034 20 30 EGEDLP CCCCCCCCOC(=O)NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001194748501 1368315667 /nfs/dbraw/zinc/31/56/67/1368315667.db2.gz VYNXQOKZMPIDLA-UHFFFAOYSA-N 2 2 327.513 3.099 20 30 EGEDLP CCCCCCCCCOC(=O)NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001194919408 1368347486 /nfs/dbraw/zinc/34/74/86/1368347486.db2.gz CDZLBFACIAPYKR-UHFFFAOYSA-N 2 2 341.540 3.489 20 30 EGEDLP CCCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001197125853 1368749555 /nfs/dbraw/zinc/74/95/55/1368749555.db2.gz NAHJQLIAGWYDPJ-QGZVFWFLSA-N 2 2 346.519 3.334 20 30 EGEDLP CCCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001197125853 1368749560 /nfs/dbraw/zinc/74/95/60/1368749560.db2.gz NAHJQLIAGWYDPJ-QGZVFWFLSA-N 2 2 346.519 3.334 20 30 EGEDLP C=CCC[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCCCC1 ZINC001115595211 1370596695 /nfs/dbraw/zinc/59/66/95/1370596695.db2.gz SVHNWFLDXASIQI-UHFFFAOYSA-N 2 2 326.444 3.161 20 30 EGEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cccc(C(F)F)c2)CC1 ZINC001207133601 1371305196 /nfs/dbraw/zinc/30/51/96/1371305196.db2.gz YDIJOOCSBQUYAF-UHFFFAOYSA-N 2 2 349.469 3.416 20 30 EGEDLP N#Cc1ccc2c(c1)C[N@@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)CC2 ZINC001208941958 1371955633 /nfs/dbraw/zinc/95/56/33/1371955633.db2.gz NXFLXPJAXFJPCY-FQEVSTJZSA-N 2 2 331.463 3.438 20 30 EGEDLP N#Cc1ccc2c(c1)C[N@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)CC2 ZINC001208941958 1371955634 /nfs/dbraw/zinc/95/56/34/1371955634.db2.gz NXFLXPJAXFJPCY-FQEVSTJZSA-N 2 2 331.463 3.438 20 30 EGEDLP N#Cc1ccc2c(c1)C[NH+](C[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208941958 1371955637 /nfs/dbraw/zinc/95/56/37/1371955637.db2.gz NXFLXPJAXFJPCY-FQEVSTJZSA-N 2 2 331.463 3.438 20 30 EGEDLP N#Cc1ccc2c(c1)C[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208941958 1371955647 /nfs/dbraw/zinc/95/56/47/1371955647.db2.gz NXFLXPJAXFJPCY-FQEVSTJZSA-N 2 2 331.463 3.438 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C ZINC001132444609 1375388259 /nfs/dbraw/zinc/38/82/59/1375388259.db2.gz CNWPYRDHQUYAIQ-WBVHZDCISA-N 2 2 334.508 3.200 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C ZINC001132444609 1375388260 /nfs/dbraw/zinc/38/82/60/1375388260.db2.gz CNWPYRDHQUYAIQ-WBVHZDCISA-N 2 2 334.508 3.200 20 30 EGEDLP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135840297 1377228808 /nfs/dbraw/zinc/22/88/08/1377228808.db2.gz GMECFRJJJOSDME-IAGOWNOFSA-N 2 2 340.471 3.325 20 30 EGEDLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139406609 1377880271 /nfs/dbraw/zinc/88/02/71/1377880271.db2.gz WPPZPMLFVSZUMG-UHFFFAOYSA-N 2 2 331.423 3.339 20 30 EGEDLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139406609 1377880272 /nfs/dbraw/zinc/88/02/72/1377880272.db2.gz WPPZPMLFVSZUMG-UHFFFAOYSA-N 2 2 331.423 3.339 20 30 EGEDLP CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001154093184 1380205457 /nfs/dbraw/zinc/20/54/57/1380205457.db2.gz UOZOELFCUZZSJJ-QZTJIDSGSA-N 2 2 348.535 3.243 20 30 EGEDLP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001154093184 1380205461 /nfs/dbraw/zinc/20/54/61/1380205461.db2.gz UOZOELFCUZZSJJ-QZTJIDSGSA-N 2 2 348.535 3.243 20 30 EGEDLP C=CCCCCC[NH2+]CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001163474099 1383059252 /nfs/dbraw/zinc/05/92/52/1383059252.db2.gz ZEBCCBGETIOQID-UHFFFAOYSA-N 2 2 340.471 3.328 20 30 EGEDLP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001171408942 1384514761 /nfs/dbraw/zinc/51/47/61/1384514761.db2.gz LDXIUCHEQZPDMD-ZWKOTPCHSA-N 2 2 334.508 3.311 20 30 EGEDLP C=C(C)C[NH2+]CCCCCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001178483706 1386231259 /nfs/dbraw/zinc/23/12/59/1386231259.db2.gz IFZPCAWMXDKZEL-UHFFFAOYSA-N 2 2 328.460 3.099 20 30 EGEDLP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001181903600 1387073623 /nfs/dbraw/zinc/07/36/23/1387073623.db2.gz JNNRXNRVYHAVKI-FOIQADDNSA-N 2 2 340.471 3.217 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001494319472 1396429991 /nfs/dbraw/zinc/42/99/91/1396429991.db2.gz OGMRWMMOOLXUMK-ZBFHGGJFSA-N 2 2 326.444 3.112 20 30 EGEDLP C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001494319472 1396429993 /nfs/dbraw/zinc/42/99/93/1396429993.db2.gz OGMRWMMOOLXUMK-ZBFHGGJFSA-N 2 2 326.444 3.112 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001752830878 1440225287 /nfs/dbraw/zinc/22/52/87/1440225287.db2.gz KKVNIAUECHXHOH-HZPDHXFCSA-N 2 2 332.492 3.013 20 30 EGEDLP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001752992449 1440259894 /nfs/dbraw/zinc/25/98/94/1440259894.db2.gz MJXONXMQGLMXCG-NVXWUHKLSA-N 2 2 340.471 3.454 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001752992449 1440259895 /nfs/dbraw/zinc/25/98/95/1440259895.db2.gz MJXONXMQGLMXCG-NVXWUHKLSA-N 2 2 340.471 3.454 20 30 EGEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1CC ZINC001754465315 1440604170 /nfs/dbraw/zinc/60/41/70/1440604170.db2.gz RIAJUBWSLAROHO-DOTOQJQBSA-N 2 2 340.471 3.359 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3ccc(F)cc3)CC2)cc1 ZINC000181387010 234169711 /nfs/dbraw/zinc/16/97/11/234169711.db2.gz VJNGBAAEHPQLMU-UHFFFAOYSA-N 2 2 337.442 3.494 20 30 EGEDLP Cn1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1C#N ZINC000191447541 239118368 /nfs/dbraw/zinc/11/83/68/239118368.db2.gz MOWSWMXITIBQMZ-IFMALSPDSA-N 2 2 348.494 3.383 20 30 EGEDLP Cn1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1C#N ZINC000191447541 239118372 /nfs/dbraw/zinc/11/83/72/239118372.db2.gz MOWSWMXITIBQMZ-IFMALSPDSA-N 2 2 348.494 3.383 20 30 EGEDLP Cn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1C#N ZINC000191447541 239118384 /nfs/dbraw/zinc/11/83/84/239118384.db2.gz MOWSWMXITIBQMZ-IFMALSPDSA-N 2 2 348.494 3.383 20 30 EGEDLP Cn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1C#N ZINC000191447541 239118391 /nfs/dbraw/zinc/11/83/91/239118391.db2.gz MOWSWMXITIBQMZ-IFMALSPDSA-N 2 2 348.494 3.383 20 30 EGEDLP COCCC(C)(C)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000183943774 533177993 /nfs/dbraw/zinc/17/79/93/533177993.db2.gz DRKMJJABNDJESW-UHFFFAOYSA-N 2 2 329.488 3.175 20 30 EGEDLP C=CCOc1c(Cl)cc(C[NH2+]CCCn2cc[nH+]c2)cc1OC ZINC000028426925 258015928 /nfs/dbraw/zinc/01/59/28/258015928.db2.gz TUPFYOLUAXKWFC-UHFFFAOYSA-N 2 2 335.835 3.290 20 30 EGEDLP CCc1ccccc1[C@H]([NH3+])C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000423494498 270049196 /nfs/dbraw/zinc/04/91/96/270049196.db2.gz AQAVKBPUVPDWLM-JOCHJYFZSA-N 2 2 348.494 3.379 20 30 EGEDLP C[C@@H]1C[C@@H](CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000273153589 267075891 /nfs/dbraw/zinc/07/58/91/267075891.db2.gz IKZFBHQDYUNALF-MSOLQXFVSA-N 2 2 341.499 3.317 20 30 EGEDLP C[N@@H+](Cc1cccc(C#N)c1F)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434733523 267319743 /nfs/dbraw/zinc/31/97/43/267319743.db2.gz BFDMKRGUHRMDSB-ICSRJNTNSA-N 2 2 338.430 3.217 20 30 EGEDLP C[N@H+](Cc1cccc(C#N)c1F)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434733523 267319747 /nfs/dbraw/zinc/31/97/47/267319747.db2.gz BFDMKRGUHRMDSB-ICSRJNTNSA-N 2 2 338.430 3.217 20 30 EGEDLP C[NH+](Cc1cccc(C#N)c1F)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434733523 267319748 /nfs/dbraw/zinc/31/97/48/267319748.db2.gz BFDMKRGUHRMDSB-ICSRJNTNSA-N 2 2 338.430 3.217 20 30 EGEDLP C[NH+](Cc1cccc(C#N)c1F)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434733523 267319751 /nfs/dbraw/zinc/31/97/51/267319751.db2.gz BFDMKRGUHRMDSB-ICSRJNTNSA-N 2 2 338.430 3.217 20 30 EGEDLP N#Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)nc1 ZINC000519175510 268223317 /nfs/dbraw/zinc/22/33/17/268223317.db2.gz GHHSFYUKJNBLIW-JOCHJYFZSA-N 2 2 346.478 3.441 20 30 EGEDLP N#Cc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)nc1 ZINC000519175510 268223321 /nfs/dbraw/zinc/22/33/21/268223321.db2.gz GHHSFYUKJNBLIW-JOCHJYFZSA-N 2 2 346.478 3.441 20 30 EGEDLP N#Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nc1 ZINC000519175510 268223323 /nfs/dbraw/zinc/22/33/23/268223323.db2.gz GHHSFYUKJNBLIW-JOCHJYFZSA-N 2 2 346.478 3.441 20 30 EGEDLP N#Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nc1 ZINC000519175510 268223325 /nfs/dbraw/zinc/22/33/25/268223325.db2.gz GHHSFYUKJNBLIW-JOCHJYFZSA-N 2 2 346.478 3.441 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3Cc4ccccc43)CC2)cc1 ZINC000181694167 455373320 /nfs/dbraw/zinc/37/33/20/455373320.db2.gz NMLICBLZYUUVMR-HXUWFJFHSA-N 2 2 331.463 3.452 20 30 EGEDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000093770625 454735087 /nfs/dbraw/zinc/73/50/87/454735087.db2.gz QFHTUIFVBWCJKG-SFHVURJKSA-N 2 2 345.487 3.151 20 30 EGEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000093770625 454735088 /nfs/dbraw/zinc/73/50/88/454735088.db2.gz QFHTUIFVBWCJKG-SFHVURJKSA-N 2 2 345.487 3.151 20 30 EGEDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000093770625 454735089 /nfs/dbraw/zinc/73/50/89/454735089.db2.gz QFHTUIFVBWCJKG-SFHVURJKSA-N 2 2 345.487 3.151 20 30 EGEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000093770625 454735091 /nfs/dbraw/zinc/73/50/91/454735091.db2.gz QFHTUIFVBWCJKG-SFHVURJKSA-N 2 2 345.487 3.151 20 30 EGEDLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cn1 ZINC000181540226 455352350 /nfs/dbraw/zinc/35/23/50/455352350.db2.gz ACTHNURBSGMIJN-HNNXBMFYSA-N 2 2 347.422 3.329 20 30 EGEDLP C[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000285885244 455935873 /nfs/dbraw/zinc/93/58/73/455935873.db2.gz ZSVBGXRTCWSQOT-MSOLQXFVSA-N 2 2 340.515 3.237 20 30 EGEDLP C[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000285885244 455935880 /nfs/dbraw/zinc/93/58/80/455935880.db2.gz ZSVBGXRTCWSQOT-MSOLQXFVSA-N 2 2 340.515 3.237 20 30 EGEDLP [NH2+]=C(NCCc1cn2ccccc2[nH+]1)Nc1cccc2c1CCCC2 ZINC000262460781 456037733 /nfs/dbraw/zinc/03/77/33/456037733.db2.gz MKUYGTIDFPVASB-UHFFFAOYSA-N 2 2 333.439 3.182 20 30 EGEDLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(Br)cc1C#N ZINC000287978346 456083439 /nfs/dbraw/zinc/08/34/39/456083439.db2.gz ZTBIBGIWYVNFMF-UHFFFAOYSA-N 2 2 347.260 3.348 20 30 EGEDLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(Br)cc1C#N ZINC000287978346 456083445 /nfs/dbraw/zinc/08/34/45/456083445.db2.gz ZTBIBGIWYVNFMF-UHFFFAOYSA-N 2 2 347.260 3.348 20 30 EGEDLP Cc1cc[nH+]cc1CCC[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000289121197 456116247 /nfs/dbraw/zinc/11/62/47/456116247.db2.gz NTDMFAWLHNHNAS-UHFFFAOYSA-N 2 2 334.467 3.407 20 30 EGEDLP Cc1cc[nH+]cc1CCC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000289121197 456116252 /nfs/dbraw/zinc/11/62/52/456116252.db2.gz NTDMFAWLHNHNAS-UHFFFAOYSA-N 2 2 334.467 3.407 20 30 EGEDLP COc1ccc(C#N)cc1C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353551671 456752837 /nfs/dbraw/zinc/75/28/37/456752837.db2.gz VCOUDIMWKGLMBF-UHFFFAOYSA-N 2 2 327.428 3.114 20 30 EGEDLP COc1ccc(C#N)cc1C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353551671 456752844 /nfs/dbraw/zinc/75/28/44/456752844.db2.gz VCOUDIMWKGLMBF-UHFFFAOYSA-N 2 2 327.428 3.114 20 30 EGEDLP COc1ccc(C#N)cc1C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000353551671 456752847 /nfs/dbraw/zinc/75/28/47/456752847.db2.gz VCOUDIMWKGLMBF-UHFFFAOYSA-N 2 2 327.428 3.114 20 30 EGEDLP COc1ccc(C#N)cc1C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353551671 456752853 /nfs/dbraw/zinc/75/28/53/456752853.db2.gz VCOUDIMWKGLMBF-UHFFFAOYSA-N 2 2 327.428 3.114 20 30 EGEDLP C[C@@H]1CCCC[N@@H+]1CCC(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329166518 456846880 /nfs/dbraw/zinc/84/68/80/456846880.db2.gz HUBGNGZJDSPNEN-CRAIPNDOSA-N 2 2 348.491 3.109 20 30 EGEDLP C[C@@H]1CCCC[N@H+]1CCC(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329166518 456846884 /nfs/dbraw/zinc/84/68/84/456846884.db2.gz HUBGNGZJDSPNEN-CRAIPNDOSA-N 2 2 348.491 3.109 20 30 EGEDLP O=C(NCc1cn2c([nH+]1)CCCC2)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000330092147 456983520 /nfs/dbraw/zinc/98/35/20/456983520.db2.gz YJNFZBYXHCNNDS-HNNXBMFYSA-N 2 2 330.476 3.331 20 30 EGEDLP O=C(NCc1cn2c([nH+]1)CCCC2)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000330092147 456983526 /nfs/dbraw/zinc/98/35/26/456983526.db2.gz YJNFZBYXHCNNDS-HNNXBMFYSA-N 2 2 330.476 3.331 20 30 EGEDLP CC(C)[N@H+](Cc1ncc(C[NH+](C)C)s1)Cc1ccc(C#N)cc1 ZINC000347611647 457548465 /nfs/dbraw/zinc/54/84/65/457548465.db2.gz MZBMAQHNLBIKPL-UHFFFAOYSA-N 2 2 328.485 3.487 20 30 EGEDLP CC(C)[N@@H+](Cc1ncc(C[NH+](C)C)s1)Cc1ccc(C#N)cc1 ZINC000347611647 457548472 /nfs/dbraw/zinc/54/84/72/457548472.db2.gz MZBMAQHNLBIKPL-UHFFFAOYSA-N 2 2 328.485 3.487 20 30 EGEDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000361851940 457908607 /nfs/dbraw/zinc/90/86/07/457908607.db2.gz ZZXNDWIIXRRRCP-QRWLVFNGSA-N 2 2 338.430 3.093 20 30 EGEDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000361851940 457908616 /nfs/dbraw/zinc/90/86/16/457908616.db2.gz ZZXNDWIIXRRRCP-QRWLVFNGSA-N 2 2 338.430 3.093 20 30 EGEDLP N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cccc4[nH+]ccn43)C2)c(F)c1 ZINC000362336993 458113167 /nfs/dbraw/zinc/11/31/67/458113167.db2.gz RXSPTHXKUJHXOQ-INIZCTEOSA-N 2 2 349.413 3.104 20 30 EGEDLP N#CCCC1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000518765345 458890717 /nfs/dbraw/zinc/89/07/17/458890717.db2.gz WNWTVQHOKVVRPF-OAQYLSRUSA-N 2 2 341.499 3.293 20 30 EGEDLP N#CCCC1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000518765345 458890722 /nfs/dbraw/zinc/89/07/22/458890722.db2.gz WNWTVQHOKVVRPF-OAQYLSRUSA-N 2 2 341.499 3.293 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000474713581 458898019 /nfs/dbraw/zinc/89/80/19/458898019.db2.gz YCQOYBDGZCCOSJ-HOTGVXAUSA-N 2 2 332.488 3.436 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000559754404 459276486 /nfs/dbraw/zinc/27/64/86/459276486.db2.gz ZRFZIMPAKSKEIO-LEWJYISDSA-N 3 2 327.516 3.452 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000559754404 459276492 /nfs/dbraw/zinc/27/64/92/459276492.db2.gz ZRFZIMPAKSKEIO-LEWJYISDSA-N 3 2 327.516 3.452 20 30 EGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000602591403 460013855 /nfs/dbraw/zinc/01/38/55/460013855.db2.gz APSVBEVPNGLFCH-MRXNPFEDSA-N 2 2 340.471 3.194 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814608 461847484 /nfs/dbraw/zinc/84/74/84/461847484.db2.gz VSFLMECXEDGCAI-UHFFFAOYSA-N 2 2 345.512 3.120 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814608 461847490 /nfs/dbraw/zinc/84/74/90/461847490.db2.gz VSFLMECXEDGCAI-UHFFFAOYSA-N 2 2 345.512 3.120 20 30 EGEDLP C=CCC1(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000648310714 462055932 /nfs/dbraw/zinc/05/59/32/462055932.db2.gz DBMMIBWFZINVLL-LJQANCHMSA-N 2 2 347.547 3.140 20 30 EGEDLP C=CCC1(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000648310714 462055941 /nfs/dbraw/zinc/05/59/41/462055941.db2.gz DBMMIBWFZINVLL-LJQANCHMSA-N 2 2 347.547 3.140 20 30 EGEDLP C=CCCn1cc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)nn1 ZINC000657364819 462075318 /nfs/dbraw/zinc/07/53/18/462075318.db2.gz AHLDCSUYJHCILI-KRWDZBQOSA-N 2 2 339.487 3.169 20 30 EGEDLP C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000728711486 574768215 /nfs/dbraw/zinc/76/82/15/574768215.db2.gz FUXZLQWLRHJGTI-QAPCUYQASA-N 2 2 326.444 3.378 20 30 EGEDLP C#CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000733323333 575327577 /nfs/dbraw/zinc/32/75/77/575327577.db2.gz USCWTDYTZBBCSR-OAQYLSRUSA-N 2 2 334.463 3.453 20 30 EGEDLP C#CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000733323333 575327578 /nfs/dbraw/zinc/32/75/78/575327578.db2.gz USCWTDYTZBBCSR-OAQYLSRUSA-N 2 2 334.463 3.453 20 30 EGEDLP C#CC[N@@H+](C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C1CCCCC1 ZINC000744213858 576823277 /nfs/dbraw/zinc/82/32/77/576823277.db2.gz OXVUZEGIKVGJMD-IBGZPJMESA-N 2 2 339.483 3.282 20 30 EGEDLP C#CC[N@H+](C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C1CCCCC1 ZINC000744213858 576823278 /nfs/dbraw/zinc/82/32/78/576823278.db2.gz OXVUZEGIKVGJMD-IBGZPJMESA-N 2 2 339.483 3.282 20 30 EGEDLP C[NH+](C)[C@H](CNC(=[NH2+])N1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000183891309 1295157121 /nfs/dbraw/zinc/15/71/21/1295157121.db2.gz RBVPEIYSNRAIAK-OAHLLOKOSA-N 2 2 342.409 3.109 20 30 EGEDLP C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000237495677 1296246374 /nfs/dbraw/zinc/24/63/74/1296246374.db2.gz AAZSCMOQZRZHQF-INIZCTEOSA-N 2 2 332.407 3.453 20 30 EGEDLP COc1ccc(NC(=[NH2+])NC[C@@H](c2ccccc2)[NH+](C)C)cc1Cl ZINC000303717555 1296848115 /nfs/dbraw/zinc/84/81/15/1296848115.db2.gz UFRBYBHXQCJYIK-INIZCTEOSA-N 2 2 346.862 3.378 20 30 EGEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])NCCc1ccccc1)c1ccsc1 ZINC000303902797 1296877183 /nfs/dbraw/zinc/87/71/83/1296877183.db2.gz UCJSGBPXMHJCMK-SFHVURJKSA-N 2 2 344.528 3.278 20 30 EGEDLP N#Cc1ccc(N2CC[NH+]([C@H]3CC[NH2+][C@H](c4ccccc4)C3)CC2)cc1 ZINC000873265026 1297398336 /nfs/dbraw/zinc/39/83/36/1297398336.db2.gz JXYBOSMKGOGEPC-VXKWHMMOSA-N 2 2 346.478 3.174 20 30 EGEDLP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000876730953 1298945111 /nfs/dbraw/zinc/94/51/11/1298945111.db2.gz MOBQWCVEICGVIQ-INIZCTEOSA-N 2 2 344.846 3.295 20 30 EGEDLP C[C@H](C#N)Oc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000896197320 1309738629 /nfs/dbraw/zinc/73/86/29/1309738629.db2.gz AOJAVWWJDLNMJF-MRXNPFEDSA-N 2 2 336.439 3.449 20 30 EGEDLP COc1cc[nH+]c(N2CC[NH+](CCCCC3(C#N)CCC3)CC2)c1 ZINC000929526361 1328626821 /nfs/dbraw/zinc/62/68/21/1328626821.db2.gz PAQRBCDSDMYILG-UHFFFAOYSA-N 2 2 328.460 3.076 20 30 EGEDLP C#CCOc1ccccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000915229690 1319449860 /nfs/dbraw/zinc/44/98/60/1319449860.db2.gz LLMCGWYXHHJTBQ-UHFFFAOYSA-N 2 2 348.490 3.495 20 30 EGEDLP C=CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025422973 1324256309 /nfs/dbraw/zinc/25/63/09/1324256309.db2.gz OZHGSLNLGCGVLV-SJLPKXTDSA-N 2 2 340.471 3.049 20 30 EGEDLP C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025422973 1324256313 /nfs/dbraw/zinc/25/63/13/1324256313.db2.gz OZHGSLNLGCGVLV-SJLPKXTDSA-N 2 2 340.471 3.049 20 30 EGEDLP C[Si](C)(CC[NH+]1CCC[C@@H](C#N)C1)CC[N@@H+]1CCC[C@H](C#N)C1 ZINC000932150330 1329789134 /nfs/dbraw/zinc/78/91/34/1329789134.db2.gz BNGLUHCYPOWKCD-HDICACEKSA-N 2 2 332.568 3.166 20 30 EGEDLP C[Si](C)(CC[NH+]1CCC[C@@H](C#N)C1)CC[N@H+]1CCC[C@H](C#N)C1 ZINC000932150330 1329789136 /nfs/dbraw/zinc/78/91/36/1329789136.db2.gz BNGLUHCYPOWKCD-HDICACEKSA-N 2 2 332.568 3.166 20 30 EGEDLP C[Si](C)(CC[NH+]1CCC[C@H](C#N)C1)CC[N@@H+]1CCC[C@@H](C#N)C1 ZINC000932150330 1329789137 /nfs/dbraw/zinc/78/91/37/1329789137.db2.gz BNGLUHCYPOWKCD-HDICACEKSA-N 2 2 332.568 3.166 20 30 EGEDLP C[Si](C)(CC[NH+]1CCC[C@H](C#N)C1)CC[N@H+]1CCC[C@@H](C#N)C1 ZINC000932150330 1329789138 /nfs/dbraw/zinc/78/91/38/1329789138.db2.gz BNGLUHCYPOWKCD-HDICACEKSA-N 2 2 332.568 3.166 20 30 EGEDLP CCC[N@H+](CCO[C@H](C)C#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934189164 1329953377 /nfs/dbraw/zinc/95/33/77/1329953377.db2.gz VOVNOXPWLHJICS-GOSISDBHSA-N 2 2 329.488 3.292 20 30 EGEDLP CCC[N@@H+](CCO[C@H](C)C#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934189164 1329953378 /nfs/dbraw/zinc/95/33/78/1329953378.db2.gz VOVNOXPWLHJICS-GOSISDBHSA-N 2 2 329.488 3.292 20 30 EGEDLP C=C(C)CC[NH+]1CCC(C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001045439319 1346594100 /nfs/dbraw/zinc/59/41/00/1346594100.db2.gz IKWNFVKRGLMNQD-UHFFFAOYSA-N 2 2 340.471 3.193 20 30 EGEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001071611129 1354796310 /nfs/dbraw/zinc/79/63/10/1354796310.db2.gz ZMYAFCTYFMBJCE-HOCLYGCPSA-N 2 2 326.444 3.112 20 30 EGEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001071611129 1354796314 /nfs/dbraw/zinc/79/63/14/1354796314.db2.gz ZMYAFCTYFMBJCE-HOCLYGCPSA-N 2 2 326.444 3.112 20 30 EGEDLP C=CCC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@@H]1C ZINC001071711786 1354870067 /nfs/dbraw/zinc/87/00/67/1354870067.db2.gz DGQQGMSMLNWVKF-WMZOPIPTSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@@H]1C ZINC001071711786 1354870072 /nfs/dbraw/zinc/87/00/72/1354870072.db2.gz DGQQGMSMLNWVKF-WMZOPIPTSA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@H]1C ZINC001072099708 1355129635 /nfs/dbraw/zinc/12/96/35/1355129635.db2.gz WIXSKLZMMYRNRS-NVXWUHKLSA-N 2 2 349.906 3.083 20 30 EGEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@H]1C ZINC001072099708 1355129639 /nfs/dbraw/zinc/12/96/39/1355129639.db2.gz WIXSKLZMMYRNRS-NVXWUHKLSA-N 2 2 349.906 3.083 20 30 EGEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC(C)(C)C1 ZINC001089442490 1360431982 /nfs/dbraw/zinc/43/19/82/1360431982.db2.gz PPMXZGSBIBENGC-MRXNPFEDSA-N 2 2 340.471 3.131 20 30 EGEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC(C)(C)C1 ZINC001089442490 1360431984 /nfs/dbraw/zinc/43/19/84/1360431984.db2.gz PPMXZGSBIBENGC-MRXNPFEDSA-N 2 2 340.471 3.131 20 30 EGEDLP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001184851412 1387549087 /nfs/dbraw/zinc/54/90/87/1387549087.db2.gz NCDYYGIUWQJNSP-QAPCUYQASA-N 2 2 329.488 3.271 20 30 EGEDLP C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001099252600 1363715069 /nfs/dbraw/zinc/71/50/69/1363715069.db2.gz XPFJWZHHTPPKIO-MSOLQXFVSA-N 2 2 346.519 3.407 20 30 EGEDLP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001099252600 1363715071 /nfs/dbraw/zinc/71/50/71/1363715071.db2.gz XPFJWZHHTPPKIO-MSOLQXFVSA-N 2 2 346.519 3.407 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001100445921 1364117588 /nfs/dbraw/zinc/11/75/88/1364117588.db2.gz GGTBWNMZRQPVEO-VQCLRJIVSA-N 2 2 326.444 3.016 20 30 EGEDLP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102073313 1364837678 /nfs/dbraw/zinc/83/76/78/1364837678.db2.gz RYKMYMQXFDWEOQ-QRVBRYPASA-N 2 2 346.519 3.121 20 30 EGEDLP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102073313 1364837682 /nfs/dbraw/zinc/83/76/82/1364837682.db2.gz RYKMYMQXFDWEOQ-QRVBRYPASA-N 2 2 346.519 3.121 20 30 EGEDLP C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001104132825 1365921592 /nfs/dbraw/zinc/92/15/92/1365921592.db2.gz BWUKYESYLLOTHJ-QZTJIDSGSA-N 2 2 346.519 3.163 20 30 EGEDLP C=C(C)CC[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)CCC1 ZINC001105566024 1366534405 /nfs/dbraw/zinc/53/44/05/1366534405.db2.gz DWZVSTMWPNPALW-GOSISDBHSA-N 2 2 344.503 3.059 20 30 EGEDLP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001192577977 1367823570 /nfs/dbraw/zinc/82/35/70/1367823570.db2.gz KTPOWDPAJWRIMY-ROUUACIJSA-N 2 2 334.508 3.337 20 30 EGEDLP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001192577977 1367823575 /nfs/dbraw/zinc/82/35/75/1367823575.db2.gz KTPOWDPAJWRIMY-ROUUACIJSA-N 2 2 334.508 3.337 20 30 EGEDLP CCCCCCC[C@H](C)NC(=O)NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001192944868 1367908607 /nfs/dbraw/zinc/90/86/07/1367908607.db2.gz YSUGXUPPVJXAMB-KRWDZBQOSA-N 2 2 340.556 3.061 20 30 EGEDLP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001111495816 1368320972 /nfs/dbraw/zinc/32/09/72/1368320972.db2.gz AWHYZOKUOSXIHR-QRVBRYPASA-N 2 2 346.519 3.355 20 30 EGEDLP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001111495816 1368320974 /nfs/dbraw/zinc/32/09/74/1368320974.db2.gz AWHYZOKUOSXIHR-QRVBRYPASA-N 2 2 346.519 3.355 20 30 EGEDLP CCCCCCC[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001113725814 1369587615 /nfs/dbraw/zinc/58/76/15/1369587615.db2.gz HCIRSQJLCLFKGQ-UHFFFAOYSA-N 2 2 345.531 3.233 20 30 EGEDLP CCCCCCC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001113725814 1369587624 /nfs/dbraw/zinc/58/76/24/1369587624.db2.gz HCIRSQJLCLFKGQ-UHFFFAOYSA-N 2 2 345.531 3.233 20 30 EGEDLP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C12CCC2 ZINC001203077501 1369974844 /nfs/dbraw/zinc/97/48/44/1369974844.db2.gz FCDCMUWLHBSAEP-ZWKOTPCHSA-N 2 2 338.455 3.160 20 30 EGEDLP CCCCCCC[NH2+]C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001204070085 1370367560 /nfs/dbraw/zinc/36/75/60/1370367560.db2.gz XFVGSLBYJRAOJG-UHFFFAOYSA-N 2 2 334.508 3.214 20 30 EGEDLP C=CCCCCC[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CCCCC1 ZINC001115655881 1370641922 /nfs/dbraw/zinc/64/19/22/1370641922.db2.gz OTNOKMCQASATPC-UHFFFAOYSA-N 2 2 346.519 3.428 20 30 EGEDLP C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001208050536 1371580839 /nfs/dbraw/zinc/58/08/39/1371580839.db2.gz ZSXIWBMTICQHER-YJBOKZPZSA-N 2 2 340.471 3.192 20 30 EGEDLP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001208386593 1371746948 /nfs/dbraw/zinc/74/69/48/1371746948.db2.gz FTVZBBRNOZBNDT-ZWKOTPCHSA-N 2 2 332.492 3.017 20 30 EGEDLP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001208806852 1371902685 /nfs/dbraw/zinc/90/26/85/1371902685.db2.gz NDOXYPCWXWGHPC-SFHVURJKSA-N 2 2 338.455 3.033 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001121847915 1372100922 /nfs/dbraw/zinc/10/09/22/1372100922.db2.gz IBASLLNMPDMWNX-XJJIXNBRSA-N 2 2 344.503 3.206 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)CC[C@H]1C ZINC001132458896 1375402142 /nfs/dbraw/zinc/40/21/42/1375402142.db2.gz YXDQDMOSGRFHLJ-MSOLQXFVSA-N 2 2 348.535 3.292 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)CC[C@H]1C ZINC001132458896 1375402143 /nfs/dbraw/zinc/40/21/43/1375402143.db2.gz YXDQDMOSGRFHLJ-MSOLQXFVSA-N 2 2 348.535 3.292 20 30 EGEDLP C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001229038646 1375749686 /nfs/dbraw/zinc/74/96/86/1375749686.db2.gz ZIFBXTALMQLLAQ-QXAKKESOSA-N 2 2 346.519 3.352 20 30 EGEDLP C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001229038646 1375749699 /nfs/dbraw/zinc/74/96/99/1375749699.db2.gz ZIFBXTALMQLLAQ-QXAKKESOSA-N 2 2 346.519 3.352 20 30 EGEDLP CCCCCCC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C ZINC001133270116 1375886194 /nfs/dbraw/zinc/88/61/94/1375886194.db2.gz IFPJRIQATNVJMW-WMZOPIPTSA-N 2 2 348.535 3.305 20 30 EGEDLP CCC[NH+](CCC)CCCN1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001232845414 1376524160 /nfs/dbraw/zinc/52/41/60/1376524160.db2.gz WCHAAASUXQBCMX-UHFFFAOYSA-N 2 2 348.560 3.249 20 30 EGEDLP C=CCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001134743628 1376692202 /nfs/dbraw/zinc/69/22/02/1376692202.db2.gz ABXRKXWLUFSFMT-IRXDYDNUSA-N 2 2 347.503 3.252 20 30 EGEDLP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001135679560 1377181725 /nfs/dbraw/zinc/18/17/25/1377181725.db2.gz NPHXGNGPLSCCRJ-IRXDYDNUSA-N 2 2 342.487 3.024 20 30 EGEDLP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161433736 1382409108 /nfs/dbraw/zinc/40/91/08/1382409108.db2.gz ILCGJLAOQDTAHJ-IRXDYDNUSA-N 2 2 344.503 3.081 20 30 EGEDLP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161433736 1382409117 /nfs/dbraw/zinc/40/91/17/1382409117.db2.gz ILCGJLAOQDTAHJ-IRXDYDNUSA-N 2 2 344.503 3.081 20 30 EGEDLP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161433736 1382409122 /nfs/dbraw/zinc/40/91/22/1382409122.db2.gz ILCGJLAOQDTAHJ-IRXDYDNUSA-N 2 2 344.503 3.081 20 30 EGEDLP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161433736 1382409124 /nfs/dbraw/zinc/40/91/24/1382409124.db2.gz ILCGJLAOQDTAHJ-IRXDYDNUSA-N 2 2 344.503 3.081 20 30 EGEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1[nH+]cc(C)c2ccccc12 ZINC001171067573 1384440670 /nfs/dbraw/zinc/44/06/70/1384440670.db2.gz KOVQCEUPXOXBJM-KRWDZBQOSA-N 2 2 327.428 3.182 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001171487297 1384538298 /nfs/dbraw/zinc/53/82/98/1384538298.db2.gz SQJSAIBZHAVBFH-SJORKVTESA-N 2 2 347.503 3.252 20 30 EGEDLP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171528847 1384552757 /nfs/dbraw/zinc/55/27/57/1384552757.db2.gz VGKVTMFOBNTGHE-HNNXBMFYSA-N 2 2 328.460 3.407 20 30 EGEDLP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001171605408 1384577679 /nfs/dbraw/zinc/57/76/79/1384577679.db2.gz NHUUZORTJVXQJS-RDJZCZTQSA-N 2 2 346.519 3.054 20 30 EGEDLP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001171605408 1384577681 /nfs/dbraw/zinc/57/76/81/1384577681.db2.gz NHUUZORTJVXQJS-RDJZCZTQSA-N 2 2 346.519 3.054 20 30 EGEDLP C=CCN1CC[C@@]2(CCC[N@@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)C1=O ZINC001171635104 1384588114 /nfs/dbraw/zinc/58/81/14/1384588114.db2.gz NKPCENMNURXTFK-OAQYLSRUSA-N 2 2 347.547 3.138 20 30 EGEDLP C=CCN1CC[C@@]2(CCC[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)C1=O ZINC001171635104 1384588119 /nfs/dbraw/zinc/58/81/19/1384588119.db2.gz NKPCENMNURXTFK-OAQYLSRUSA-N 2 2 347.547 3.138 20 30 EGEDLP C[C@@H](CCCC#N)[NH2+]CCSCc1csc(C[NH+](C)C)n1 ZINC001172482453 1384803301 /nfs/dbraw/zinc/80/33/01/1384803301.db2.gz GXXAZTYNZRJYIE-ZDUSSCGKSA-N 2 2 326.535 3.110 20 30 EGEDLP C=CCOC1CCC(N(c2ccc(C)c[nH+]2)C2CC[NH2+]CC2)CC1 ZINC001173326145 1384959583 /nfs/dbraw/zinc/95/95/83/1384959583.db2.gz VXHSWFSWSAHDLT-UHFFFAOYSA-N 2 2 329.488 3.462 20 30 EGEDLP COc1cc(N(C2CC[NH2+]CC2)C2CCC(CC#N)CC2)cc[nH+]1 ZINC001173340982 1384962252 /nfs/dbraw/zinc/96/22/52/1384962252.db2.gz OWERJZGIVVGXDK-UHFFFAOYSA-N 2 2 328.460 3.121 20 30 EGEDLP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001175210286 1385221108 /nfs/dbraw/zinc/22/11/08/1385221108.db2.gz SZJAEMQZTUBEDM-JKSUJKDBSA-N 2 2 332.492 3.060 20 30 EGEDLP C=CCC[NH2+]CCCCCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001178483450 1386231233 /nfs/dbraw/zinc/23/12/33/1386231233.db2.gz AZVNSOOSJVIWCT-UHFFFAOYSA-N 2 2 328.460 3.099 20 30 EGEDLP C=C(C)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001753317758 1440360902 /nfs/dbraw/zinc/36/09/02/1440360902.db2.gz VLWFJCPLZHVIHO-RBUKOAKNSA-N 2 2 346.519 3.359 20 30 EGEDLP C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001753317758 1440360903 /nfs/dbraw/zinc/36/09/03/1440360903.db2.gz VLWFJCPLZHVIHO-RBUKOAKNSA-N 2 2 346.519 3.359 20 30 EGEDLP C#CC[N@@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)C1CCCCCC1 ZINC001754545870 1440627657 /nfs/dbraw/zinc/62/76/57/1440627657.db2.gz XGQYPIHHRKJHMB-UHFFFAOYSA-N 2 2 341.499 3.395 20 30 EGEDLP C#CC[N@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)C1CCCCCC1 ZINC001754545870 1440627658 /nfs/dbraw/zinc/62/76/58/1440627658.db2.gz XGQYPIHHRKJHMB-UHFFFAOYSA-N 2 2 341.499 3.395 20 30 EGEDLP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3c(C)cc(C)[nH+]c3C)C[C@@H]21 ZINC001755709872 1440903480 /nfs/dbraw/zinc/90/34/80/1440903480.db2.gz WODASCODCCQMLT-GBESFXJTSA-N 2 2 341.499 3.413 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000181393347 234172835 /nfs/dbraw/zinc/17/28/35/234172835.db2.gz WPZRPPGVYMKSBC-UHFFFAOYSA-N 2 2 349.434 3.041 20 30 EGEDLP C[C@@H](O)c1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181564130 234234026 /nfs/dbraw/zinc/23/40/26/234234026.db2.gz SMCAZZXTYBAOGM-QGZVFWFLSA-N 2 2 349.478 3.366 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCNc3cccc[nH+]3)CC2)cc1 ZINC000181866993 234360760 /nfs/dbraw/zinc/36/07/60/234360760.db2.gz VIGQRAGYXZJOAA-UHFFFAOYSA-N 3 2 349.482 3.009 20 30 EGEDLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc(C#N)c1 ZINC000191831370 533422619 /nfs/dbraw/zinc/42/26/19/533422619.db2.gz CNBWTRPQTZUAQT-XMSQKQJNSA-N 2 2 349.478 3.500 20 30 EGEDLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc(C#N)c1 ZINC000191831370 533422627 /nfs/dbraw/zinc/42/26/27/533422627.db2.gz CNBWTRPQTZUAQT-XMSQKQJNSA-N 2 2 349.478 3.500 20 30 EGEDLP C[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249008323 163050454 /nfs/dbraw/zinc/05/04/54/163050454.db2.gz ZTNLESOEKWIOMB-AVRDEDQJSA-N 2 2 349.478 3.188 20 30 EGEDLP C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249008323 163050456 /nfs/dbraw/zinc/05/04/56/163050456.db2.gz ZTNLESOEKWIOMB-AVRDEDQJSA-N 2 2 349.478 3.188 20 30 EGEDLP C[C@@H](c1cccc(C#N)c1)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249008323 163050457 /nfs/dbraw/zinc/05/04/57/163050457.db2.gz ZTNLESOEKWIOMB-AVRDEDQJSA-N 2 2 349.478 3.188 20 30 EGEDLP C[C@@H](c1cccc(C#N)c1)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249008323 163050459 /nfs/dbraw/zinc/05/04/59/163050459.db2.gz ZTNLESOEKWIOMB-AVRDEDQJSA-N 2 2 349.478 3.188 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCCSC3)CC2)cc1 ZINC000286999203 268065743 /nfs/dbraw/zinc/06/57/43/268065743.db2.gz JZJXNDAXTZLNFL-GOSISDBHSA-N 2 2 329.513 3.255 20 30 EGEDLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000570579210 317076534 /nfs/dbraw/zinc/07/65/34/317076534.db2.gz FOPDNLDFANUIEG-FQEVSTJZSA-N 2 2 334.467 3.344 20 30 EGEDLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000570579210 317076536 /nfs/dbraw/zinc/07/65/36/317076536.db2.gz FOPDNLDFANUIEG-FQEVSTJZSA-N 2 2 334.467 3.344 20 30 EGEDLP C[C@@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)c1cccc(C#N)c1 ZINC000181869658 323509557 /nfs/dbraw/zinc/50/95/57/323509557.db2.gz ANWDZMLBLCFSTH-GOSISDBHSA-N 2 2 341.499 3.492 20 30 EGEDLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3ccc(C#N)cn3)cc2)CC1 ZINC000077992359 454175172 /nfs/dbraw/zinc/17/51/72/454175172.db2.gz IBEHXUJLPGSCTL-UHFFFAOYSA-N 2 2 335.455 3.475 20 30 EGEDLP C=CCc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc(OC)c1O ZINC000093597385 454722167 /nfs/dbraw/zinc/72/21/67/454722167.db2.gz SLPFCTWCCWPEAH-INIZCTEOSA-N 2 2 330.472 3.047 20 30 EGEDLP C=CCc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc(OC)c1O ZINC000093597385 454722172 /nfs/dbraw/zinc/72/21/72/454722172.db2.gz SLPFCTWCCWPEAH-INIZCTEOSA-N 2 2 330.472 3.047 20 30 EGEDLP [NH2+]=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)Nc1ccccn1 ZINC000170912678 454998362 /nfs/dbraw/zinc/99/83/62/454998362.db2.gz GTGBPGVOIMWGNB-MRXNPFEDSA-N 2 2 343.862 3.299 20 30 EGEDLP C#CCCOc1ccc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000172114329 455123992 /nfs/dbraw/zinc/12/39/92/455123992.db2.gz OWFWIBOCYNIOHZ-UHFFFAOYSA-N 2 2 349.478 3.238 20 30 EGEDLP N#Cc1c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn2ccccc12 ZINC000246948553 455538546 /nfs/dbraw/zinc/53/85/46/455538546.db2.gz UMCHJBSJFCPOMG-JXFKEZNVSA-N 2 2 334.467 3.260 20 30 EGEDLP N#Cc1c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn2ccccc12 ZINC000246948553 455538549 /nfs/dbraw/zinc/53/85/49/455538549.db2.gz UMCHJBSJFCPOMG-JXFKEZNVSA-N 2 2 334.467 3.260 20 30 EGEDLP N#Cc1c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn2ccccc12 ZINC000246948553 455538552 /nfs/dbraw/zinc/53/85/52/455538552.db2.gz UMCHJBSJFCPOMG-JXFKEZNVSA-N 2 2 334.467 3.260 20 30 EGEDLP CC[NH+](CCC#N)Cc1cc(C[N@H+](CC)CCC#N)cc(OC)c1 ZINC000292656575 455723829 /nfs/dbraw/zinc/72/38/29/455723829.db2.gz PNVWKVDVTGUQJU-UHFFFAOYSA-N 2 2 328.460 3.166 20 30 EGEDLP CC[NH+](CCC#N)Cc1cc(C[N@@H+](CC)CCC#N)cc(OC)c1 ZINC000292656575 455723831 /nfs/dbraw/zinc/72/38/31/455723831.db2.gz PNVWKVDVTGUQJU-UHFFFAOYSA-N 2 2 328.460 3.166 20 30 EGEDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000278614574 455841588 /nfs/dbraw/zinc/84/15/88/455841588.db2.gz MUPJNYHETGNHDU-UHFFFAOYSA-N 2 2 325.387 3.444 20 30 EGEDLP N#Cc1cccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1F ZINC000348331663 456629896 /nfs/dbraw/zinc/62/98/96/456629896.db2.gz RBFMCJYLDGFHTA-BGYRXZFFSA-N 2 2 335.426 3.261 20 30 EGEDLP N#Cc1cccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1F ZINC000348331663 456629902 /nfs/dbraw/zinc/62/99/02/456629902.db2.gz RBFMCJYLDGFHTA-BGYRXZFFSA-N 2 2 335.426 3.261 20 30 EGEDLP N#Cc1cccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1F ZINC000348331663 456629904 /nfs/dbraw/zinc/62/99/04/456629904.db2.gz RBFMCJYLDGFHTA-BGYRXZFFSA-N 2 2 335.426 3.261 20 30 EGEDLP N#Cc1cccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1F ZINC000348331663 456629911 /nfs/dbraw/zinc/62/99/11/456629911.db2.gz RBFMCJYLDGFHTA-BGYRXZFFSA-N 2 2 335.426 3.261 20 30 EGEDLP CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC000328823556 456768573 /nfs/dbraw/zinc/76/85/73/456768573.db2.gz RDCZRSCUZHXHNF-AWEZNQCLSA-N 2 2 337.427 3.148 20 30 EGEDLP CN(C)c1[nH]c2ccc(NC(=O)CC[C@H]3CCCC[N@@H+]3C)cc2[nH+]1 ZINC000329268767 456864145 /nfs/dbraw/zinc/86/41/45/456864145.db2.gz DVKNKEZGRMYGNA-CQSZACIVSA-N 2 2 329.448 3.481 20 30 EGEDLP CN(C)c1[nH]c2ccc(NC(=O)CC[C@H]3CCCC[N@H+]3C)cc2[nH+]1 ZINC000329268767 456864150 /nfs/dbraw/zinc/86/41/50/456864150.db2.gz DVKNKEZGRMYGNA-CQSZACIVSA-N 2 2 329.448 3.481 20 30 EGEDLP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000330005994 456973167 /nfs/dbraw/zinc/97/31/67/456973167.db2.gz CLEPYRZRFDABMP-IAGOWNOFSA-N 2 2 326.444 3.318 20 30 EGEDLP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000330005994 456973170 /nfs/dbraw/zinc/97/31/70/456973170.db2.gz CLEPYRZRFDABMP-IAGOWNOFSA-N 2 2 326.444 3.318 20 30 EGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(OC)cc2Br)CC1 ZINC000352746217 457578343 /nfs/dbraw/zinc/57/83/43/457578343.db2.gz BIBZBCYNWVQCMX-UHFFFAOYSA-N 2 2 339.277 3.198 20 30 EGEDLP Cc1cccn2cc(-c3ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc3)[nH+]c12 ZINC000424128518 458565045 /nfs/dbraw/zinc/56/50/45/458565045.db2.gz FOJOLGDPLMDUOA-KRWDZBQOSA-N 2 2 347.422 3.269 20 30 EGEDLP CC[C@@H](C[NH2+]Cc1ccc(C#N)c(OC)c1)[N@@H+]1CCc2ccccc2C1 ZINC000440823274 458858862 /nfs/dbraw/zinc/85/88/62/458858862.db2.gz RNGYCYPPPPNWIH-NRFANRHFSA-N 2 2 349.478 3.493 20 30 EGEDLP CC[C@@H](C[NH2+]Cc1ccc(C#N)c(OC)c1)[N@H+]1CCc2ccccc2C1 ZINC000440823274 458858866 /nfs/dbraw/zinc/85/88/66/458858866.db2.gz RNGYCYPPPPNWIH-NRFANRHFSA-N 2 2 349.478 3.493 20 30 EGEDLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@@H](C#N)CCC#N)C2)s1 ZINC000578992293 459241164 /nfs/dbraw/zinc/24/11/64/459241164.db2.gz OGSKBKLTXQVLON-IAGOWNOFSA-N 2 2 330.501 3.254 20 30 EGEDLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@@H](C#N)CCC#N)C2)s1 ZINC000578992293 459241169 /nfs/dbraw/zinc/24/11/69/459241169.db2.gz OGSKBKLTXQVLON-IAGOWNOFSA-N 2 2 330.501 3.254 20 30 EGEDLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H](C#N)CCC#N)C2)s1 ZINC000578992293 459241172 /nfs/dbraw/zinc/24/11/72/459241172.db2.gz OGSKBKLTXQVLON-IAGOWNOFSA-N 2 2 330.501 3.254 20 30 EGEDLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H](C#N)CCC#N)C2)s1 ZINC000578992293 459241178 /nfs/dbraw/zinc/24/11/78/459241178.db2.gz OGSKBKLTXQVLON-IAGOWNOFSA-N 2 2 330.501 3.254 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000496574490 459245159 /nfs/dbraw/zinc/24/51/59/459245159.db2.gz VYTJRIIMEVVCCP-IAGOWNOFSA-N 2 2 337.508 3.062 20 30 EGEDLP Cc1cc(N2CC[NH+](CCc3ccc(C#N)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000595291831 459268173 /nfs/dbraw/zinc/26/81/73/459268173.db2.gz SAPAJSJGHBSAKJ-UHFFFAOYSA-N 2 2 349.482 3.145 20 30 EGEDLP CCn1cc([C@@H](C)[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)cn1 ZINC000593719877 459961787 /nfs/dbraw/zinc/96/17/87/459961787.db2.gz CXHYTUUHXGBRCA-MRXNPFEDSA-N 2 2 337.471 3.090 20 30 EGEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000602561990 459998052 /nfs/dbraw/zinc/99/80/52/459998052.db2.gz UNNZPULFKOBDJO-ICSRJNTNSA-N 2 2 341.499 3.340 20 30 EGEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000602561990 459998058 /nfs/dbraw/zinc/99/80/58/459998058.db2.gz UNNZPULFKOBDJO-ICSRJNTNSA-N 2 2 341.499 3.340 20 30 EGEDLP CCc1[nH+]c2cc(C[NH2+]C[C@H](O)CC(C)(C)C#N)ccc2n1C1CC1 ZINC000598728949 460008333 /nfs/dbraw/zinc/00/83/33/460008333.db2.gz XPQLBFCZILMBIB-MRXNPFEDSA-N 2 2 340.471 3.324 20 30 EGEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000602591400 460014132 /nfs/dbraw/zinc/01/41/32/460014132.db2.gz APSVBEVPNGLFCH-INIZCTEOSA-N 2 2 340.471 3.194 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)CC1 ZINC000179421004 526453917 /nfs/dbraw/zinc/45/39/17/526453917.db2.gz SDWLMPWWDYJEOY-CQSZACIVSA-N 2 2 333.432 3.295 20 30 EGEDLP COc1ccc(C[NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1C#N ZINC000742370379 576774891 /nfs/dbraw/zinc/77/48/91/576774891.db2.gz PKKFNVNTDKQARQ-JXFKEZNVSA-N 2 2 335.451 3.492 20 30 EGEDLP COc1ccc(C[NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1C#N ZINC000742370379 576774892 /nfs/dbraw/zinc/77/48/92/576774892.db2.gz PKKFNVNTDKQARQ-JXFKEZNVSA-N 2 2 335.451 3.492 20 30 EGEDLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3ccc(C#N)cc3)CC2)c1 ZINC000048709994 1291617472 /nfs/dbraw/zinc/61/74/72/1291617472.db2.gz FRHQDRJIBJCIDZ-UHFFFAOYSA-N 2 2 348.494 3.169 20 30 EGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000392823311 1297660093 /nfs/dbraw/zinc/66/00/93/1297660093.db2.gz IYCXYPMRLDSEAL-LBPRGKRZSA-N 2 2 327.241 3.194 20 30 EGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000392823311 1297660106 /nfs/dbraw/zinc/66/01/06/1297660106.db2.gz IYCXYPMRLDSEAL-LBPRGKRZSA-N 2 2 327.241 3.194 20 30 EGEDLP C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000797999339 1310281803 /nfs/dbraw/zinc/28/18/03/1310281803.db2.gz UELVELYBJMCPEW-LAUBAEHRSA-N 2 2 343.515 3.292 20 30 EGEDLP C[NH+]1CCN(c2cccc(Cl)c2C=[NH+]OC/C=C/Cl)CC1 ZINC000811672103 1318225640 /nfs/dbraw/zinc/22/56/40/1318225640.db2.gz QBNZOCVJTINCRK-RSEJBXPKSA-N 2 2 328.243 3.195 20 30 EGEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000824955850 1320300335 /nfs/dbraw/zinc/30/03/35/1320300335.db2.gz ZOZHQORSDGIPOT-UXHICEINSA-N 2 2 329.488 3.045 20 30 EGEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OC[C@H]2CCCCC2(F)F)cc1 ZINC000842036686 1321338195 /nfs/dbraw/zinc/33/81/95/1321338195.db2.gz OUYHOUKUGDNFSI-OAHLLOKOSA-N 2 2 325.403 3.211 20 30 EGEDLP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936487 1336095721 /nfs/dbraw/zinc/09/57/21/1336095721.db2.gz JFYNMEDJZZWPBK-INIZCTEOSA-N 2 2 346.862 3.061 20 30 EGEDLP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936487 1336095725 /nfs/dbraw/zinc/09/57/25/1336095725.db2.gz JFYNMEDJZZWPBK-INIZCTEOSA-N 2 2 346.862 3.061 20 30 EGEDLP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034272172 1342362751 /nfs/dbraw/zinc/36/27/51/1342362751.db2.gz SDFNROWFGWVOBR-INIZCTEOSA-N 2 2 326.444 3.113 20 30 EGEDLP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034272172 1342362755 /nfs/dbraw/zinc/36/27/55/1342362755.db2.gz SDFNROWFGWVOBR-INIZCTEOSA-N 2 2 326.444 3.113 20 30 EGEDLP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)c1cc3c[nH+]ccc3[nH]1)CC2 ZINC001035198217 1343011842 /nfs/dbraw/zinc/01/18/42/1343011842.db2.gz GBAQBUYCOHMORM-UHFFFAOYSA-N 2 2 338.455 3.067 20 30 EGEDLP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)c1cc3c[nH+]ccc3[nH]1)CC2 ZINC001035198217 1343011845 /nfs/dbraw/zinc/01/18/45/1343011845.db2.gz GBAQBUYCOHMORM-UHFFFAOYSA-N 2 2 338.455 3.067 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001042116068 1345948641 /nfs/dbraw/zinc/94/86/41/1345948641.db2.gz GPAQHJQCAAWBDW-DNVCBOLYSA-N 2 2 338.455 3.066 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001042116068 1345948643 /nfs/dbraw/zinc/94/86/43/1345948643.db2.gz GPAQHJQCAAWBDW-DNVCBOLYSA-N 2 2 338.455 3.066 20 30 EGEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001052598965 1348590611 /nfs/dbraw/zinc/59/06/11/1348590611.db2.gz QJWMFQXNTYPIFH-GOSISDBHSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001052598965 1348590614 /nfs/dbraw/zinc/59/06/14/1348590614.db2.gz QJWMFQXNTYPIFH-GOSISDBHSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053084337 1348905191 /nfs/dbraw/zinc/90/51/91/1348905191.db2.gz PSVUZWJDYTWOTB-ZWKOTPCHSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)C[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053084337 1348905196 /nfs/dbraw/zinc/90/51/96/1348905196.db2.gz PSVUZWJDYTWOTB-ZWKOTPCHSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@H+]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@@H]1C ZINC001071510637 1354735031 /nfs/dbraw/zinc/73/50/31/1354735031.db2.gz DGQACPRRFVBLFQ-MAUKXSAKSA-N 2 2 340.471 3.192 20 30 EGEDLP C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@@H]1C ZINC001071510637 1354735036 /nfs/dbraw/zinc/73/50/36/1354735036.db2.gz DGQACPRRFVBLFQ-MAUKXSAKSA-N 2 2 340.471 3.192 20 30 EGEDLP C=CCC[N@H+]1C[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC[C@H]1C ZINC001071954397 1355040062 /nfs/dbraw/zinc/04/00/62/1355040062.db2.gz OHSZWHIEVBPLRF-SJLPKXTDSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CCC[N@@H+]1C[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC[C@H]1C ZINC001071954397 1355040067 /nfs/dbraw/zinc/04/00/67/1355040067.db2.gz OHSZWHIEVBPLRF-SJLPKXTDSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001183497261 1387313700 /nfs/dbraw/zinc/31/37/00/1387313700.db2.gz UETVLMACQQRNLP-RTBURBONSA-N 2 2 346.519 3.407 20 30 EGEDLP C=C(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001086919991 1359247355 /nfs/dbraw/zinc/24/73/55/1359247355.db2.gz DHZHFAFEGJVLEE-QGZVFWFLSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC(C)(C)C1 ZINC001089417227 1360410799 /nfs/dbraw/zinc/41/07/99/1360410799.db2.gz WORMPUVCRFKRRD-KRWDZBQOSA-N 2 2 346.519 3.110 20 30 EGEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC(C)(C)C1 ZINC001089417227 1360410801 /nfs/dbraw/zinc/41/08/01/1360410801.db2.gz WORMPUVCRFKRRD-KRWDZBQOSA-N 2 2 346.519 3.110 20 30 EGEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089486844 1360467048 /nfs/dbraw/zinc/46/70/48/1360467048.db2.gz DEZQOWORKUWWOM-JKSUJKDBSA-N 2 2 344.503 3.013 20 30 EGEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089486844 1360467049 /nfs/dbraw/zinc/46/70/49/1360467049.db2.gz DEZQOWORKUWWOM-JKSUJKDBSA-N 2 2 344.503 3.013 20 30 EGEDLP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001100445920 1364117574 /nfs/dbraw/zinc/11/75/74/1364117574.db2.gz GGTBWNMZRQPVEO-HLIUYOAVSA-N 2 2 326.444 3.016 20 30 EGEDLP C=CCCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001100663104 1364209433 /nfs/dbraw/zinc/20/94/33/1364209433.db2.gz CPTCWWFPNQKDDT-OFLPRAFFSA-N 2 2 344.503 3.060 20 30 EGEDLP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001192577978 1367822840 /nfs/dbraw/zinc/82/28/40/1367822840.db2.gz KTPOWDPAJWRIMY-ZWKOTPCHSA-N 2 2 334.508 3.337 20 30 EGEDLP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001192577978 1367822844 /nfs/dbraw/zinc/82/28/44/1367822844.db2.gz KTPOWDPAJWRIMY-ZWKOTPCHSA-N 2 2 334.508 3.337 20 30 EGEDLP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001192778728 1367872818 /nfs/dbraw/zinc/87/28/18/1367872818.db2.gz PKMVWXDONSTXKT-SJLPKXTDSA-N 2 2 334.508 3.091 20 30 EGEDLP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001192778728 1367872821 /nfs/dbraw/zinc/87/28/21/1367872821.db2.gz PKMVWXDONSTXKT-SJLPKXTDSA-N 2 2 334.508 3.091 20 30 EGEDLP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001192778728 1367872824 /nfs/dbraw/zinc/87/28/24/1367872824.db2.gz PKMVWXDONSTXKT-SJLPKXTDSA-N 2 2 334.508 3.091 20 30 EGEDLP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001192778728 1367872826 /nfs/dbraw/zinc/87/28/26/1367872826.db2.gz PKMVWXDONSTXKT-SJLPKXTDSA-N 2 2 334.508 3.091 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001110707848 1367940461 /nfs/dbraw/zinc/94/04/61/1367940461.db2.gz XPPMGUDBJDZBQB-TVFCKZIOSA-N 2 2 344.503 3.003 20 30 EGEDLP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001110707848 1367940463 /nfs/dbraw/zinc/94/04/63/1367940463.db2.gz XPPMGUDBJDZBQB-TVFCKZIOSA-N 2 2 344.503 3.003 20 30 EGEDLP CCCCCCCC[N@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001201813855 1369627950 /nfs/dbraw/zinc/62/79/50/1369627950.db2.gz KJRYGGWWPLFNHQ-UHFFFAOYSA-N 2 2 329.492 3.347 20 30 EGEDLP CCCCCCCC[N@@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001201813855 1369627951 /nfs/dbraw/zinc/62/79/51/1369627951.db2.gz KJRYGGWWPLFNHQ-UHFFFAOYSA-N 2 2 329.492 3.347 20 30 EGEDLP C=C(C)CC[NH2+]C1(CNC(=O)Cc2c[nH+]ccc2OC)CCCCC1 ZINC001115591923 1370593356 /nfs/dbraw/zinc/59/33/56/1370593356.db2.gz LDEYDYATXOAOFM-UHFFFAOYSA-N 2 2 345.487 3.008 20 30 EGEDLP C=C(Cl)C[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCCCC1 ZINC001115595201 1370596631 /nfs/dbraw/zinc/59/66/31/1370596631.db2.gz SHHFMDZIFHMETN-UHFFFAOYSA-N 2 2 346.862 3.338 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001207681392 1371473105 /nfs/dbraw/zinc/47/31/05/1371473105.db2.gz QKEUXNPRPCWUPI-SJLPKXTDSA-N 2 2 348.535 3.334 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001207681392 1371473109 /nfs/dbraw/zinc/47/31/09/1371473109.db2.gz QKEUXNPRPCWUPI-SJLPKXTDSA-N 2 2 348.535 3.334 20 30 EGEDLP CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001209700604 1372174940 /nfs/dbraw/zinc/17/49/40/1372174940.db2.gz WIIKJPDHZCQARZ-RCCFBDPRSA-N 2 2 346.519 3.075 20 30 EGEDLP CCCCCCC[NH2+][C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001209865601 1372217002 /nfs/dbraw/zinc/21/70/02/1372217002.db2.gz INBQWILZGXNJCB-ROUUACIJSA-N 2 2 334.508 3.385 20 30 EGEDLP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001209866280 1372217713 /nfs/dbraw/zinc/21/77/13/1372217713.db2.gz QPTBCSBGQJPCNV-ZWKOTPCHSA-N 2 2 332.492 3.161 20 30 EGEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001215190484 1373184311 /nfs/dbraw/zinc/18/43/11/1373184311.db2.gz ZPHZIDPTXLPURP-IIDMSEBBSA-N 2 2 329.488 3.412 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132090238 1375140318 /nfs/dbraw/zinc/14/03/18/1375140318.db2.gz FIWAXXSXDDBVTI-SJLPKXTDSA-N 2 2 334.508 3.282 20 30 EGEDLP CCCCCCC[N@H+]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132090238 1375140322 /nfs/dbraw/zinc/14/03/22/1375140322.db2.gz FIWAXXSXDDBVTI-SJLPKXTDSA-N 2 2 334.508 3.282 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132090238 1375140324 /nfs/dbraw/zinc/14/03/24/1375140324.db2.gz FIWAXXSXDDBVTI-SJLPKXTDSA-N 2 2 334.508 3.282 20 30 EGEDLP CCCCCCC[N@H+]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132090238 1375140326 /nfs/dbraw/zinc/14/03/26/1375140326.db2.gz FIWAXXSXDDBVTI-SJLPKXTDSA-N 2 2 334.508 3.282 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001132090012 1375140377 /nfs/dbraw/zinc/14/03/77/1375140377.db2.gz BYTNMHJFGANCJK-WMZOPIPTSA-N 2 2 332.492 3.058 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001132090012 1375140379 /nfs/dbraw/zinc/14/03/79/1375140379.db2.gz BYTNMHJFGANCJK-WMZOPIPTSA-N 2 2 332.492 3.058 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001132090012 1375140380 /nfs/dbraw/zinc/14/03/80/1375140380.db2.gz BYTNMHJFGANCJK-WMZOPIPTSA-N 2 2 332.492 3.058 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001132090012 1375140381 /nfs/dbraw/zinc/14/03/81/1375140381.db2.gz BYTNMHJFGANCJK-WMZOPIPTSA-N 2 2 332.492 3.058 20 30 EGEDLP Cc1cc(N2CC[NH+](Cc3ccc(C#N)c(Cl)c3)CC2)cc[nH+]1 ZINC001232117783 1376403756 /nfs/dbraw/zinc/40/37/56/1376403756.db2.gz DUXNWVBKESGPAZ-UHFFFAOYSA-N 2 2 326.831 3.237 20 30 EGEDLP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001134369470 1376497543 /nfs/dbraw/zinc/49/75/43/1376497543.db2.gz MNTUXHQQBFFNCD-CABCVRRESA-N 2 2 328.460 3.095 20 30 EGEDLP COc1ccc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c(C#N)c1 ZINC001137704444 1377598818 /nfs/dbraw/zinc/59/88/18/1377598818.db2.gz FUCDUBMCSIQPGB-RBUKOAKNSA-N 2 2 327.472 3.406 20 30 EGEDLP COc1ccc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c(C#N)c1 ZINC001137704444 1377598822 /nfs/dbraw/zinc/59/88/22/1377598822.db2.gz FUCDUBMCSIQPGB-RBUKOAKNSA-N 2 2 327.472 3.406 20 30 EGEDLP COc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)c(C#N)c1 ZINC001137704444 1377598824 /nfs/dbraw/zinc/59/88/24/1377598824.db2.gz FUCDUBMCSIQPGB-RBUKOAKNSA-N 2 2 327.472 3.406 20 30 EGEDLP COc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)c(C#N)c1 ZINC001137704444 1377598827 /nfs/dbraw/zinc/59/88/27/1377598827.db2.gz FUCDUBMCSIQPGB-RBUKOAKNSA-N 2 2 327.472 3.406 20 30 EGEDLP C=CCOc1ccccc1C[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001139028014 1377819716 /nfs/dbraw/zinc/81/97/16/1377819716.db2.gz IXFDTSXZFOISDG-SFTDATJTSA-N 2 2 349.478 3.210 20 30 EGEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142929887 1378512054 /nfs/dbraw/zinc/51/20/54/1378512054.db2.gz GHLFUDBFBOKATP-QGZVFWFLSA-N 2 2 332.407 3.396 20 30 EGEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142929887 1378512059 /nfs/dbraw/zinc/51/20/59/1378512059.db2.gz GHLFUDBFBOKATP-QGZVFWFLSA-N 2 2 332.407 3.396 20 30 EGEDLP C[NH+]1CCN(c2cccc(NC(C)(C)c3ccc(C#N)cc3)[nH+]2)CC1 ZINC001156430592 1380575142 /nfs/dbraw/zinc/57/51/42/1380575142.db2.gz GAIBPCRPYBOLJY-UHFFFAOYSA-N 2 2 335.455 3.052 20 30 EGEDLP CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248441 1380824362 /nfs/dbraw/zinc/82/43/62/1380824362.db2.gz PGMIGZZUTXZASY-GOSISDBHSA-N 2 2 336.524 3.460 20 30 EGEDLP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248441 1380824369 /nfs/dbraw/zinc/82/43/69/1380824369.db2.gz PGMIGZZUTXZASY-GOSISDBHSA-N 2 2 336.524 3.460 20 30 EGEDLP C=CCCCCC[N@H+]1CC=C(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001160330593 1382075874 /nfs/dbraw/zinc/07/58/74/1382075874.db2.gz BLVLYTCCYGWYRZ-UHFFFAOYSA-N 2 2 344.503 3.227 20 30 EGEDLP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001160330593 1382075879 /nfs/dbraw/zinc/07/58/79/1382075879.db2.gz BLVLYTCCYGWYRZ-UHFFFAOYSA-N 2 2 344.503 3.227 20 30 EGEDLP C=CCCCCC[N@H+]1CC=C(CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001160330593 1382075884 /nfs/dbraw/zinc/07/58/84/1382075884.db2.gz BLVLYTCCYGWYRZ-UHFFFAOYSA-N 2 2 344.503 3.227 20 30 EGEDLP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001160330593 1382075887 /nfs/dbraw/zinc/07/58/87/1382075887.db2.gz BLVLYTCCYGWYRZ-UHFFFAOYSA-N 2 2 344.503 3.227 20 30 EGEDLP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001171784914 1384635528 /nfs/dbraw/zinc/63/55/28/1384635528.db2.gz VZCSQKBZCLWPKK-INIZCTEOSA-N 2 2 328.460 3.179 20 30 EGEDLP CO[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001172915557 1384877838 /nfs/dbraw/zinc/87/78/38/1384877838.db2.gz DSGDMTRJORIMDD-PMACEKPBSA-N 2 2 327.472 3.070 20 30 EGEDLP C[NH+]1CCN(c2ccc(C=[NH+]OCc3ccccc3)cc2F)CC1 ZINC001317946769 1385581265 /nfs/dbraw/zinc/58/12/65/1385581265.db2.gz SBMIZCOPFKEJCD-UHFFFAOYSA-N 2 2 327.403 3.128 20 30 EGEDLP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001177437471 1385956742 /nfs/dbraw/zinc/95/67/42/1385956742.db2.gz RSOXDTVAGJIPEP-QGZVFWFLSA-N 2 2 346.519 3.163 20 30 EGEDLP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001177437471 1385956745 /nfs/dbraw/zinc/95/67/45/1385956745.db2.gz RSOXDTVAGJIPEP-QGZVFWFLSA-N 2 2 346.519 3.163 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)Cc1c[nH+]ccc1OC ZINC001178811655 1386314047 /nfs/dbraw/zinc/31/40/47/1386314047.db2.gz XEOBOLHQPRRQGY-KRWDZBQOSA-N 2 2 347.503 3.254 20 30 EGEDLP C=C(Cl)C[NH2+]CCCCCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001178823774 1386318518 /nfs/dbraw/zinc/31/85/18/1386318518.db2.gz VDMCHUKOSSWJKE-UHFFFAOYSA-N 2 2 334.851 3.195 20 30 EGEDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)/C=C\c1ccccc1C#N ZINC001322870178 1387250102 /nfs/dbraw/zinc/25/01/02/1387250102.db2.gz YYUGSUXCKANUBS-SREVYHEPSA-N 2 2 329.363 3.099 20 30 EGEDLP C=CCCOCCCCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001337241635 1389283631 /nfs/dbraw/zinc/28/36/31/1389283631.db2.gz ZIGXQLDBTHUBDD-UHFFFAOYSA-N 2 2 328.416 3.277 20 30 EGEDLP CCCCCCCC[C@H]([NH3+])C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001343556753 1390722381 /nfs/dbraw/zinc/72/23/81/1390722381.db2.gz FYEXRVKTOPQNDH-MSOLQXFVSA-N 2 2 348.535 3.279 20 30 EGEDLP C=C(Cl)C[NH+]1CCCCC[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001717539581 1421479498 /nfs/dbraw/zinc/47/94/98/1421479498.db2.gz YLIHMESCWINYQC-INIZCTEOSA-N 2 2 343.943 3.078 20 30 EGEDLP C=C(Cl)C[NH+]1CCCCC[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001717539581 1421479500 /nfs/dbraw/zinc/47/95/00/1421479500.db2.gz YLIHMESCWINYQC-INIZCTEOSA-N 2 2 343.943 3.078 20 30 EGEDLP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001717539581 1421479501 /nfs/dbraw/zinc/47/95/01/1421479501.db2.gz YLIHMESCWINYQC-INIZCTEOSA-N 2 2 343.943 3.078 20 30 EGEDLP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001717539581 1421479503 /nfs/dbraw/zinc/47/95/03/1421479503.db2.gz YLIHMESCWINYQC-INIZCTEOSA-N 2 2 343.943 3.078 20 30 EGEDLP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001752323952 1440170975 /nfs/dbraw/zinc/17/09/75/1440170975.db2.gz QURUJLULXLKXQL-QZTJIDSGSA-N 2 2 332.492 3.017 20 30 EGEDLP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001752323952 1440170976 /nfs/dbraw/zinc/17/09/76/1440170976.db2.gz QURUJLULXLKXQL-QZTJIDSGSA-N 2 2 332.492 3.017 20 30 EGEDLP C=CCC[C@@H](C)[N@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001753155391 1440330456 /nfs/dbraw/zinc/33/04/56/1440330456.db2.gz LBBZUCVOWPPWIG-CQSZACIVSA-N 2 2 326.444 3.112 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001753155391 1440330457 /nfs/dbraw/zinc/33/04/57/1440330457.db2.gz LBBZUCVOWPPWIG-CQSZACIVSA-N 2 2 326.444 3.112 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@](C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001754669660 1440657703 /nfs/dbraw/zinc/65/77/03/1440657703.db2.gz DXNZJSXKUFRKJO-QRWLVFNGSA-N 2 2 340.471 3.192 20 30 EGEDLP C=CCC[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001754669660 1440657704 /nfs/dbraw/zinc/65/77/04/1440657704.db2.gz DXNZJSXKUFRKJO-QRWLVFNGSA-N 2 2 340.471 3.192 20 30 EGEDLP C=CCCCCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC001755144049 1440762493 /nfs/dbraw/zinc/76/24/93/1440762493.db2.gz VYQZAIDZZFETAE-SFHVURJKSA-N 2 2 346.519 3.224 20 30 EGEDLP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC001755144049 1440762494 /nfs/dbraw/zinc/76/24/94/1440762494.db2.gz VYQZAIDZZFETAE-SFHVURJKSA-N 2 2 346.519 3.224 20 30 EGEDLP C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001755740347 1440911584 /nfs/dbraw/zinc/91/15/84/1440911584.db2.gz VFBIZSQFWUBXDV-CVEARBPZSA-N 2 2 335.879 3.247 20 30 EGEDLP C=C(C)CC[NH2+]C[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C(C)(C)C ZINC001755826854 1440927527 /nfs/dbraw/zinc/92/75/27/1440927527.db2.gz YXYFZXHSEWAYMW-MRXNPFEDSA-N 2 2 334.508 3.013 20 30 EGEDLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(C#N)cc1 ZINC000191835283 239325751 /nfs/dbraw/zinc/32/57/51/239325751.db2.gz BOTCRRNDKUIODM-AVRDEDQJSA-N 2 2 349.478 3.500 20 30 EGEDLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(C#N)cc1 ZINC000191835283 239325758 /nfs/dbraw/zinc/32/57/58/239325758.db2.gz BOTCRRNDKUIODM-AVRDEDQJSA-N 2 2 349.478 3.500 20 30 EGEDLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(C#N)cc1 ZINC000191835258 239327160 /nfs/dbraw/zinc/32/71/60/239327160.db2.gz BOTCRRNDKUIODM-PGRDOPGGSA-N 2 2 349.478 3.500 20 30 EGEDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(C#N)cc1 ZINC000191835258 239327168 /nfs/dbraw/zinc/32/71/68/239327168.db2.gz BOTCRRNDKUIODM-PGRDOPGGSA-N 2 2 349.478 3.500 20 30 EGEDLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCOCC1 ZINC000344128732 164110407 /nfs/dbraw/zinc/11/04/07/164110407.db2.gz IPXALZWUFAAEPG-OAQYLSRUSA-N 2 2 341.499 3.317 20 30 EGEDLP Cc1cc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(C#N)c[nH+]1 ZINC000399555068 267342789 /nfs/dbraw/zinc/34/27/89/267342789.db2.gz CLKZMHHWQLNAJI-QUCCMNQESA-N 2 2 332.451 3.220 20 30 EGEDLP Cc1cc(N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(C#N)c[nH+]1 ZINC000399555068 267342791 /nfs/dbraw/zinc/34/27/91/267342791.db2.gz CLKZMHHWQLNAJI-QUCCMNQESA-N 2 2 332.451 3.220 20 30 EGEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(OC(F)F)c1 ZINC000437891653 268222234 /nfs/dbraw/zinc/22/22/34/268222234.db2.gz VFTHPUBCDXWTTB-HNNXBMFYSA-N 2 2 335.398 3.077 20 30 EGEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(OC(F)F)c1 ZINC000437891653 268222237 /nfs/dbraw/zinc/22/22/37/268222237.db2.gz VFTHPUBCDXWTTB-HNNXBMFYSA-N 2 2 335.398 3.077 20 30 EGEDLP C#CCCOc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000184732452 455438333 /nfs/dbraw/zinc/43/83/33/455438333.db2.gz VOYVJWKJNBYTBH-IBGZPJMESA-N 2 2 337.467 3.277 20 30 EGEDLP C#CCCOc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000184732452 455438338 /nfs/dbraw/zinc/43/83/38/455438338.db2.gz VOYVJWKJNBYTBH-IBGZPJMESA-N 2 2 337.467 3.277 20 30 EGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1OC ZINC000093597672 454722678 /nfs/dbraw/zinc/72/26/78/454722678.db2.gz IKNLBOWANNCUHJ-SFHVURJKSA-N 2 2 330.472 3.178 20 30 EGEDLP C=CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1OC ZINC000093597672 454722682 /nfs/dbraw/zinc/72/26/82/454722682.db2.gz IKNLBOWANNCUHJ-SFHVURJKSA-N 2 2 330.472 3.178 20 30 EGEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000179880381 455093025 /nfs/dbraw/zinc/09/30/25/455093025.db2.gz FHCSUTGHUNDLCU-FXAWDEMLSA-N 2 2 335.451 3.342 20 30 EGEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000179880381 455093028 /nfs/dbraw/zinc/09/30/28/455093028.db2.gz FHCSUTGHUNDLCU-FXAWDEMLSA-N 2 2 335.451 3.342 20 30 EGEDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000179880339 455093053 /nfs/dbraw/zinc/09/30/53/455093053.db2.gz FHCSUTGHUNDLCU-PXNSSMCTSA-N 2 2 335.451 3.342 20 30 EGEDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000179880339 455093057 /nfs/dbraw/zinc/09/30/57/455093057.db2.gz FHCSUTGHUNDLCU-PXNSSMCTSA-N 2 2 335.451 3.342 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118841502 455114351 /nfs/dbraw/zinc/11/43/51/455114351.db2.gz HVHGKFNVSNYCMX-INIZCTEOSA-N 2 2 347.528 3.177 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118841502 455114354 /nfs/dbraw/zinc/11/43/54/455114354.db2.gz HVHGKFNVSNYCMX-INIZCTEOSA-N 2 2 347.528 3.177 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000118841502 455114359 /nfs/dbraw/zinc/11/43/59/455114359.db2.gz HVHGKFNVSNYCMX-INIZCTEOSA-N 2 2 347.528 3.177 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841502 455114362 /nfs/dbraw/zinc/11/43/62/455114362.db2.gz HVHGKFNVSNYCMX-INIZCTEOSA-N 2 2 347.528 3.177 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000183499771 455300729 /nfs/dbraw/zinc/30/07/29/455300729.db2.gz VAYLFQPVXQAXKR-INIZCTEOSA-N 2 2 337.508 3.016 20 30 EGEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(C#N)cc1 ZINC000271855790 455787510 /nfs/dbraw/zinc/78/75/10/455787510.db2.gz JGJMSQDFEDNUDG-BULFRSBZSA-N 2 2 349.478 3.092 20 30 EGEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(C#N)cc1 ZINC000271855790 455787515 /nfs/dbraw/zinc/78/75/15/455787515.db2.gz JGJMSQDFEDNUDG-BULFRSBZSA-N 2 2 349.478 3.092 20 30 EGEDLP Cc1nc(C)c(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000271909398 455798988 /nfs/dbraw/zinc/79/89/88/455798988.db2.gz XRLDFHUYWBWTFV-UHFFFAOYSA-N 2 2 340.496 3.386 20 30 EGEDLP C[NH+](C)C1CCN(c2ccc(NCc3cccc(C#N)c3)[nH+]c2)CC1 ZINC000269167799 455802156 /nfs/dbraw/zinc/80/21/56/455802156.db2.gz XMFROMCIXISUNN-UHFFFAOYSA-N 2 2 335.455 3.096 20 30 EGEDLP Cc1cccnc1CCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000294683535 455823549 /nfs/dbraw/zinc/82/35/49/455823549.db2.gz ADMMLBSILUPYKI-UHFFFAOYSA-N 2 2 348.494 3.449 20 30 EGEDLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CCC[C@H](C#N)C3)[nH+]c2)CC1 ZINC000278862940 455850630 /nfs/dbraw/zinc/85/06/30/455850630.db2.gz WKGGPNNKMBPSGJ-HOTGVXAUSA-N 2 2 327.476 3.106 20 30 EGEDLP COc1cc(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000353190037 456549262 /nfs/dbraw/zinc/54/92/62/456549262.db2.gz ILVCFOUAOWXGPI-OXJNMPFZSA-N 2 2 335.451 3.177 20 30 EGEDLP COc1cc(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000353190037 456549269 /nfs/dbraw/zinc/54/92/69/456549269.db2.gz ILVCFOUAOWXGPI-OXJNMPFZSA-N 2 2 335.451 3.177 20 30 EGEDLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CCC(C)(C)C#N)[C@@H]1c1cnn(C)c1 ZINC000347163589 457265056 /nfs/dbraw/zinc/26/50/56/457265056.db2.gz JJXGLXJREVQZDB-FUHWJXTLSA-N 2 2 331.508 3.065 20 30 EGEDLP CC[N@H+]1CCC[C@@H](C[NH+](C)CCC(C)(C)C#N)[C@@H]1c1cnn(C)c1 ZINC000347163589 457265063 /nfs/dbraw/zinc/26/50/63/457265063.db2.gz JJXGLXJREVQZDB-FUHWJXTLSA-N 2 2 331.508 3.065 20 30 EGEDLP CC[NH+]1CCC[C@@H](C[N@H+](C)CCC(C)(C)C#N)[C@@H]1c1cnn(C)c1 ZINC000347163589 457265066 /nfs/dbraw/zinc/26/50/66/457265066.db2.gz JJXGLXJREVQZDB-FUHWJXTLSA-N 2 2 331.508 3.065 20 30 EGEDLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CCC(C)(C)C#N)[C@@H]1c1cnn(C)c1 ZINC000347163589 457265072 /nfs/dbraw/zinc/26/50/72/457265072.db2.gz JJXGLXJREVQZDB-FUHWJXTLSA-N 2 2 331.508 3.065 20 30 EGEDLP COc1cc(C#N)ccc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361072952 457565108 /nfs/dbraw/zinc/56/51/08/457565108.db2.gz KPBAPOOTYMCFDD-UHFFFAOYSA-N 2 2 338.455 3.456 20 30 EGEDLP C[C@H](CC(F)(F)F)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000361457042 457737567 /nfs/dbraw/zinc/73/75/67/457737567.db2.gz PUCAPFZVEQOFFB-CYBMUJFWSA-N 2 2 325.378 3.453 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430563514 458462710 /nfs/dbraw/zinc/46/27/10/458462710.db2.gz WKJSTINGMFJTIR-HNNXBMFYSA-N 2 2 335.517 3.208 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430563514 458462713 /nfs/dbraw/zinc/46/27/13/458462713.db2.gz WKJSTINGMFJTIR-HNNXBMFYSA-N 2 2 335.517 3.208 20 30 EGEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1c[nH+]c(C)cc1C)C(C)C ZINC000455560978 458604092 /nfs/dbraw/zinc/60/40/92/458604092.db2.gz QCHROPNIFMIUJK-IBGZPJMESA-N 2 2 344.503 3.196 20 30 EGEDLP N#C[C@H]1CC[C@@H]([NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000442777856 459034416 /nfs/dbraw/zinc/03/44/16/459034416.db2.gz AMYUGQBGEDSNNG-FUHWJXTLSA-N 2 2 346.906 3.134 20 30 EGEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000602530161 459984515 /nfs/dbraw/zinc/98/45/15/459984515.db2.gz PDZCKQARACXXIK-HNNXBMFYSA-N 2 2 326.444 3.184 20 30 EGEDLP Cc1ccc([C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)[NH+]2CCCC2)cc1 ZINC000598720660 460006476 /nfs/dbraw/zinc/00/64/76/460006476.db2.gz PERQSPBVDNCHJM-OALUTQOASA-N 2 2 329.488 3.022 20 30 EGEDLP C[C@@H]([NH2+]C1(C[NH2+]C[C@@H](C)CCC#N)CCOCC1)c1ccccc1 ZINC000618888004 460209001 /nfs/dbraw/zinc/20/90/01/460209001.db2.gz LPWLXMBNGDBCAH-ZWKOTPCHSA-N 2 2 329.488 3.416 20 30 EGEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000618900694 460214538 /nfs/dbraw/zinc/21/45/38/460214538.db2.gz VYGOFIHDVDEMGC-AWEZNQCLSA-N 2 2 345.244 3.044 20 30 EGEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000618900694 460214547 /nfs/dbraw/zinc/21/45/47/460214547.db2.gz VYGOFIHDVDEMGC-AWEZNQCLSA-N 2 2 345.244 3.044 20 30 EGEDLP C=CCc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc(OC)c1O ZINC000655855998 461504820 /nfs/dbraw/zinc/50/48/20/461504820.db2.gz KHWYMEURSANPDF-ROUUACIJSA-N 2 2 330.472 3.236 20 30 EGEDLP C=CCc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc(OC)c1O ZINC000655855998 461504829 /nfs/dbraw/zinc/50/48/29/461504829.db2.gz KHWYMEURSANPDF-ROUUACIJSA-N 2 2 330.472 3.236 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cncc(Br)c2C)CC1 ZINC000657353679 462067251 /nfs/dbraw/zinc/06/72/51/462067251.db2.gz UNPJQQNBQGPJEG-UHFFFAOYSA-N 2 2 338.293 3.283 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000152962312 526603725 /nfs/dbraw/zinc/60/37/25/526603725.db2.gz YMLBPANGWINJKR-WIYYLYMNSA-N 2 2 327.516 3.280 20 30 EGEDLP CC[NH+](CC)C[C@H]1CC[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000743389226 576807877 /nfs/dbraw/zinc/80/78/77/576807877.db2.gz ZANNSDQCEWBUJL-GOSISDBHSA-N 2 2 337.471 3.043 20 30 EGEDLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000743389226 576807878 /nfs/dbraw/zinc/80/78/78/576807878.db2.gz ZANNSDQCEWBUJL-GOSISDBHSA-N 2 2 337.471 3.043 20 30 EGEDLP COc1cccc([C@H](CNC(=[NH2+])Nc2ccc(C)cc2)[NH+](C)C)c1 ZINC000104155427 1293018850 /nfs/dbraw/zinc/01/88/50/1293018850.db2.gz VCJHOILWZAHERI-SFHVURJKSA-N 2 2 326.444 3.033 20 30 EGEDLP C=CCc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(O)c(OC)c1 ZINC000164363677 1294348127 /nfs/dbraw/zinc/34/81/27/1294348127.db2.gz MBENECQGMGMTNR-UHFFFAOYSA-N 2 2 327.428 3.163 20 30 EGEDLP CCc1ccc(NC(=[NH2+])NC[C@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000303866149 1296863675 /nfs/dbraw/zinc/86/36/75/1296863675.db2.gz CGWSAXDXDPVKLB-AWEZNQCLSA-N 2 2 342.512 3.484 20 30 EGEDLP CCc1ccc(NC(=[NH2+])NC[C@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000303866149 1296863691 /nfs/dbraw/zinc/86/36/91/1296863691.db2.gz CGWSAXDXDPVKLB-AWEZNQCLSA-N 2 2 342.512 3.484 20 30 EGEDLP CCc1cccc(NC(=[NH2+])NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000303901709 1296876919 /nfs/dbraw/zinc/87/69/19/1296876919.db2.gz SVLOVLRDJFWIPM-SFHVURJKSA-N 2 2 328.435 3.418 20 30 EGEDLP [NH2+]=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)NC1CCCCCC1 ZINC000305750338 1297042579 /nfs/dbraw/zinc/04/25/79/1297042579.db2.gz ZEZJZMJHITUZGH-QGZVFWFLSA-N 2 2 332.492 3.434 20 30 EGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(Br)ccc1F ZINC000392823309 1297660933 /nfs/dbraw/zinc/66/09/33/1297660933.db2.gz IYCXYPMRLDSEAL-GFCCVEGCSA-N 2 2 327.241 3.194 20 30 EGEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc(Br)ccc1F ZINC000392823309 1297660941 /nfs/dbraw/zinc/66/09/41/1297660941.db2.gz IYCXYPMRLDSEAL-GFCCVEGCSA-N 2 2 327.241 3.194 20 30 EGEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCSc2ccccc2)cc1 ZINC000758763837 1300953176 /nfs/dbraw/zinc/95/31/76/1300953176.db2.gz SMUSNLOJUNDTGJ-UHFFFAOYSA-N 2 2 329.469 3.177 20 30 EGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CCOC2(CCOCC2)C1)C(C)C ZINC000885921295 1303277329 /nfs/dbraw/zinc/27/73/29/1303277329.db2.gz YGQNYWZTMGAWFJ-RTBURBONSA-N 2 2 336.520 3.003 20 30 EGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000815652670 1319036651 /nfs/dbraw/zinc/03/66/51/1319036651.db2.gz MQFSPSKTGRWARV-HNNXBMFYSA-N 2 2 339.252 3.120 20 30 EGEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000815652670 1319036643 /nfs/dbraw/zinc/03/66/43/1319036643.db2.gz MQFSPSKTGRWARV-HNNXBMFYSA-N 2 2 339.252 3.120 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001025293862 1324122010 /nfs/dbraw/zinc/12/20/10/1324122010.db2.gz VMEJBNVJJYMDJX-MOPGFXCFSA-N 2 2 344.503 3.072 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001025293862 1324122013 /nfs/dbraw/zinc/12/20/13/1324122013.db2.gz VMEJBNVJJYMDJX-MOPGFXCFSA-N 2 2 344.503 3.072 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459773 1324303830 /nfs/dbraw/zinc/30/38/30/1324303830.db2.gz SEGIRHCLQIHGPO-HZPDHXFCSA-N 2 2 340.471 3.359 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459773 1324303834 /nfs/dbraw/zinc/30/38/34/1324303834.db2.gz SEGIRHCLQIHGPO-HZPDHXFCSA-N 2 2 340.471 3.359 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000963314246 1325097959 /nfs/dbraw/zinc/09/79/59/1325097959.db2.gz KAFLLRHBJWWFPT-PKOBYXMFSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000963314246 1325097965 /nfs/dbraw/zinc/09/79/65/1325097965.db2.gz KAFLLRHBJWWFPT-PKOBYXMFSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000963314246 1325097975 /nfs/dbraw/zinc/09/79/75/1325097975.db2.gz KAFLLRHBJWWFPT-PKOBYXMFSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000963314246 1325097979 /nfs/dbraw/zinc/09/79/79/1325097979.db2.gz KAFLLRHBJWWFPT-PKOBYXMFSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000963550903 1325310430 /nfs/dbraw/zinc/31/04/30/1325310430.db2.gz JPSRECGTVXHCPW-UHFFFAOYSA-N 2 2 346.862 3.288 20 30 EGEDLP CC(=[NH+]Nc1cc[nH+]c(C)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000863159210 1329530751 /nfs/dbraw/zinc/53/07/51/1329530751.db2.gz HSXKDNUPFWZCKB-UHFFFAOYSA-N 2 2 344.846 3.138 20 30 EGEDLP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001016743014 1338709694 /nfs/dbraw/zinc/70/96/94/1338709694.db2.gz NULYSOPNUNSNHZ-QGZVFWFLSA-N 2 2 327.472 3.167 20 30 EGEDLP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001039212348 1344926536 /nfs/dbraw/zinc/92/65/36/1344926536.db2.gz IUBXWNCLOSNQPQ-DNVCBOLYSA-N 2 2 338.455 3.066 20 30 EGEDLP C=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001039212348 1344926538 /nfs/dbraw/zinc/92/65/38/1344926538.db2.gz IUBXWNCLOSNQPQ-DNVCBOLYSA-N 2 2 338.455 3.066 20 30 EGEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1C ZINC001072099707 1355129695 /nfs/dbraw/zinc/12/96/95/1355129695.db2.gz WIXSKLZMMYRNRS-DOTOQJQBSA-N 2 2 349.906 3.083 20 30 EGEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1C ZINC001072099707 1355129698 /nfs/dbraw/zinc/12/96/98/1355129698.db2.gz WIXSKLZMMYRNRS-DOTOQJQBSA-N 2 2 349.906 3.083 20 30 EGEDLP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001099349606 1363766139 /nfs/dbraw/zinc/76/61/39/1363766139.db2.gz QOUPHNDOHVDWJD-RBUKOAKNSA-N 2 2 343.515 3.082 20 30 EGEDLP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001099349606 1363766141 /nfs/dbraw/zinc/76/61/41/1363766141.db2.gz QOUPHNDOHVDWJD-RBUKOAKNSA-N 2 2 343.515 3.082 20 30 EGEDLP C=C(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001086927147 1359252190 /nfs/dbraw/zinc/25/21/90/1359252190.db2.gz UAQWIHHRMGUSBQ-QGZVFWFLSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001086927147 1359252193 /nfs/dbraw/zinc/25/21/93/1359252193.db2.gz UAQWIHHRMGUSBQ-QGZVFWFLSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001086946038 1359267120 /nfs/dbraw/zinc/26/71/20/1359267120.db2.gz ONMWZXDDBUHZAS-QZTJIDSGSA-N 2 2 344.503 3.113 20 30 EGEDLP C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001099264172 1363721544 /nfs/dbraw/zinc/72/15/44/1363721544.db2.gz OTGSNVUJLUYRIL-AEFFLSMTSA-N 2 2 346.519 3.161 20 30 EGEDLP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001099264172 1363721546 /nfs/dbraw/zinc/72/15/46/1363721546.db2.gz OTGSNVUJLUYRIL-AEFFLSMTSA-N 2 2 346.519 3.161 20 30 EGEDLP C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001099264172 1363721550 /nfs/dbraw/zinc/72/15/50/1363721550.db2.gz OTGSNVUJLUYRIL-AEFFLSMTSA-N 2 2 346.519 3.161 20 30 EGEDLP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001099264172 1363721552 /nfs/dbraw/zinc/72/15/52/1363721552.db2.gz OTGSNVUJLUYRIL-AEFFLSMTSA-N 2 2 346.519 3.161 20 30 EGEDLP C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001101579674 1364632920 /nfs/dbraw/zinc/63/29/20/1364632920.db2.gz QXSBXBVJQLMLOY-QGZVFWFLSA-N 2 2 346.519 3.265 20 30 EGEDLP C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001185573887 1387753046 /nfs/dbraw/zinc/75/30/46/1387753046.db2.gz OKRDBPNWJHVISI-SJLPKXTDSA-N 2 2 346.519 3.081 20 30 EGEDLP C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)CCC1 ZINC001105542110 1366520721 /nfs/dbraw/zinc/52/07/21/1366520721.db2.gz PRVLMTFRKWLBST-GOSISDBHSA-N 2 2 344.503 3.059 20 30 EGEDLP C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)CCC1 ZINC001105542110 1366520724 /nfs/dbraw/zinc/52/07/24/1366520724.db2.gz PRVLMTFRKWLBST-GOSISDBHSA-N 2 2 344.503 3.059 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001111773939 1368454955 /nfs/dbraw/zinc/45/49/55/1368454955.db2.gz WNJIKFPEOQWATJ-PXNSSMCTSA-N 2 2 344.503 3.059 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001111773939 1368454956 /nfs/dbraw/zinc/45/49/56/1368454956.db2.gz WNJIKFPEOQWATJ-PXNSSMCTSA-N 2 2 344.503 3.059 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001111773939 1368454958 /nfs/dbraw/zinc/45/49/58/1368454958.db2.gz WNJIKFPEOQWATJ-PXNSSMCTSA-N 2 2 344.503 3.059 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001111773939 1368454962 /nfs/dbraw/zinc/45/49/62/1368454962.db2.gz WNJIKFPEOQWATJ-PXNSSMCTSA-N 2 2 344.503 3.059 20 30 EGEDLP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196242118 1368574476 /nfs/dbraw/zinc/57/44/76/1368574476.db2.gz BPGSBLNRXRWGII-RBUKOAKNSA-N 2 2 346.519 3.359 20 30 EGEDLP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196242118 1368574479 /nfs/dbraw/zinc/57/44/79/1368574479.db2.gz BPGSBLNRXRWGII-RBUKOAKNSA-N 2 2 346.519 3.359 20 30 EGEDLP CCCCCCC[N@@H+]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001197396605 1368805989 /nfs/dbraw/zinc/80/59/89/1368805989.db2.gz GRKMJOAKGYDDLQ-KRWDZBQOSA-N 2 2 334.508 3.093 20 30 EGEDLP CCCCCCC[N@H+]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001197396605 1368805993 /nfs/dbraw/zinc/80/59/93/1368805993.db2.gz GRKMJOAKGYDDLQ-KRWDZBQOSA-N 2 2 334.508 3.093 20 30 EGEDLP CCCCCCC[N@@H+]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001197396605 1368805997 /nfs/dbraw/zinc/80/59/97/1368805997.db2.gz GRKMJOAKGYDDLQ-KRWDZBQOSA-N 2 2 334.508 3.093 20 30 EGEDLP CCCCCCC[N@H+]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001197396605 1368806001 /nfs/dbraw/zinc/80/60/01/1368806001.db2.gz GRKMJOAKGYDDLQ-KRWDZBQOSA-N 2 2 334.508 3.093 20 30 EGEDLP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CCCCC1 ZINC001115725270 1370705518 /nfs/dbraw/zinc/70/55/18/1370705518.db2.gz RYVQSJAASHXQGT-INIZCTEOSA-N 2 2 344.503 3.205 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001205679452 1370840565 /nfs/dbraw/zinc/84/05/65/1370840565.db2.gz HJQLPNLLQQGQBQ-MRXNPFEDSA-N 2 2 340.471 3.131 20 30 EGEDLP C=CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001120391620 1371558515 /nfs/dbraw/zinc/55/85/15/1371558515.db2.gz DIHPWDWVSJOUHI-HKUYNNGSSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001120391620 1371558520 /nfs/dbraw/zinc/55/85/20/1371558520.db2.gz DIHPWDWVSJOUHI-HKUYNNGSSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001120391620 1371558521 /nfs/dbraw/zinc/55/85/21/1371558521.db2.gz DIHPWDWVSJOUHI-HKUYNNGSSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001120391620 1371558524 /nfs/dbraw/zinc/55/85/24/1371558524.db2.gz DIHPWDWVSJOUHI-HKUYNNGSSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001120391622 1371558539 /nfs/dbraw/zinc/55/85/39/1371558539.db2.gz DIHPWDWVSJOUHI-MJGOQNOKSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001120391622 1371558541 /nfs/dbraw/zinc/55/85/41/1371558541.db2.gz DIHPWDWVSJOUHI-MJGOQNOKSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001120391622 1371558544 /nfs/dbraw/zinc/55/85/44/1371558544.db2.gz DIHPWDWVSJOUHI-MJGOQNOKSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001120391622 1371558546 /nfs/dbraw/zinc/55/85/46/1371558546.db2.gz DIHPWDWVSJOUHI-MJGOQNOKSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001208050534 1371581095 /nfs/dbraw/zinc/58/10/95/1371581095.db2.gz ZSXIWBMTICQHER-MAUKXSAKSA-N 2 2 340.471 3.192 20 30 EGEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001132919184 1375643663 /nfs/dbraw/zinc/64/36/63/1375643663.db2.gz FIBAQMJASZNAPM-IUODEOHRSA-N 2 2 346.862 3.003 20 30 EGEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC[C@@H]1C ZINC001133002613 1375705023 /nfs/dbraw/zinc/70/50/23/1375705023.db2.gz UARYGQPXERRLCS-KSSFIOAISA-N 2 2 329.488 3.271 20 30 EGEDLP C=CCCCCC[NH+]1CCC(NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001229385710 1375824688 /nfs/dbraw/zinc/82/46/88/1375824688.db2.gz VKWPANHCGYCTOC-KRWDZBQOSA-N 2 2 332.492 3.161 20 30 EGEDLP CCCCCCC[NH+]1CCC(NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001229393580 1375827089 /nfs/dbraw/zinc/82/70/89/1375827089.db2.gz UJAFVGISYDSKSK-QGZVFWFLSA-N 2 2 334.508 3.385 20 30 EGEDLP N#Cc1ccc(CC[N@@H+](Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236389061 1376951665 /nfs/dbraw/zinc/95/16/65/1376951665.db2.gz RVHWZRSXQNARBC-OAQYLSRUSA-N 2 2 337.442 3.494 20 30 EGEDLP N#Cc1ccc(CC[N@H+](Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236389061 1376951670 /nfs/dbraw/zinc/95/16/70/1376951670.db2.gz RVHWZRSXQNARBC-OAQYLSRUSA-N 2 2 337.442 3.494 20 30 EGEDLP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001135680448 1377181854 /nfs/dbraw/zinc/18/18/54/1377181854.db2.gz WCRTXEWYLVAMDQ-IRXDYDNUSA-N 2 2 342.487 3.024 20 30 EGEDLP CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001154065880 1380196746 /nfs/dbraw/zinc/19/67/46/1380196746.db2.gz FSCUPNQXOSIYIK-QZTJIDSGSA-N 2 2 348.535 3.243 20 30 EGEDLP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001154065880 1380196752 /nfs/dbraw/zinc/19/67/52/1380196752.db2.gz FSCUPNQXOSIYIK-QZTJIDSGSA-N 2 2 348.535 3.243 20 30 EGEDLP C=C(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001158468336 1381253836 /nfs/dbraw/zinc/25/38/36/1381253836.db2.gz SVVWORUHBNRCEJ-IAGOWNOFSA-N 2 2 344.503 3.109 20 30 EGEDLP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001158468336 1381253840 /nfs/dbraw/zinc/25/38/40/1381253840.db2.gz SVVWORUHBNRCEJ-IAGOWNOFSA-N 2 2 344.503 3.109 20 30 EGEDLP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001160431191 1382102600 /nfs/dbraw/zinc/10/26/00/1382102600.db2.gz PDWRKSXEPJYNFI-KBAYOESNSA-N 2 2 342.487 3.006 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001160431191 1382102603 /nfs/dbraw/zinc/10/26/03/1382102603.db2.gz PDWRKSXEPJYNFI-KBAYOESNSA-N 2 2 342.487 3.006 20 30 EGEDLP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001160431191 1382102607 /nfs/dbraw/zinc/10/26/07/1382102607.db2.gz PDWRKSXEPJYNFI-KBAYOESNSA-N 2 2 342.487 3.006 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001160431191 1382102610 /nfs/dbraw/zinc/10/26/10/1382102610.db2.gz PDWRKSXEPJYNFI-KBAYOESNSA-N 2 2 342.487 3.006 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001165756465 1383340414 /nfs/dbraw/zinc/34/04/14/1383340414.db2.gz JRHRPCCUQSVBJK-OAHLLOKOSA-N 2 2 340.471 3.407 20 30 EGEDLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(C3(C#N)CCCCC3)cc2)CC1 ZINC001168736943 1383985948 /nfs/dbraw/zinc/98/59/48/1383985948.db2.gz MORRPIXYHVSCHP-UHFFFAOYSA-N 2 2 325.460 3.006 20 30 EGEDLP C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001171189637 1384465062 /nfs/dbraw/zinc/46/50/62/1384465062.db2.gz IBOWNNAGUIICCO-KRWDZBQOSA-N 2 2 334.467 3.390 20 30 EGEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001171410020 1384515054 /nfs/dbraw/zinc/51/50/54/1384515054.db2.gz RCWWICLILXBWGJ-ROUUACIJSA-N 2 2 334.508 3.311 20 30 EGEDLP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171528231 1384552669 /nfs/dbraw/zinc/55/26/69/1384552669.db2.gz QDWUBEPOXHXINY-HNNXBMFYSA-N 2 2 328.460 3.407 20 30 EGEDLP CO[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC001173592604 1384983037 /nfs/dbraw/zinc/98/30/37/1384983037.db2.gz VNDVSVXQYUQYHY-YZDRJCRTSA-N 2 2 341.499 3.338 20 30 EGEDLP CO[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC001173592604 1384983039 /nfs/dbraw/zinc/98/30/39/1384983039.db2.gz VNDVSVXQYUQYHY-YZDRJCRTSA-N 2 2 341.499 3.338 20 30 EGEDLP C=C(C)CC[NH2+]CCCCCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001178808844 1386313001 /nfs/dbraw/zinc/31/30/01/1386313001.db2.gz WVFOXWVVLYIIDM-UHFFFAOYSA-N 2 2 334.508 3.159 20 30 EGEDLP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001754951894 1440715236 /nfs/dbraw/zinc/71/52/36/1440715236.db2.gz JPABYWLBMHEXGB-SAABIXHNSA-N 2 2 340.471 3.097 20 30 EGEDLP C=CCCC[NH2+]C1(CC)CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001755070530 1440746427 /nfs/dbraw/zinc/74/64/27/1440746427.db2.gz KKKKEQXWQLYTNQ-UHFFFAOYSA-N 2 2 340.471 3.275 20 30 EGEDLP COc1ccc([C@@H](C[NH2+]Cc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000052659655 214139698 /nfs/dbraw/zinc/13/96/98/214139698.db2.gz SQHOXSDNVBXWDW-OAQYLSRUSA-N 2 2 335.451 3.494 20 30 EGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccncc1F ZINC000338010948 141073024 /nfs/dbraw/zinc/07/30/24/141073024.db2.gz JGEGDZGBMDLKEY-OAHLLOKOSA-N 2 2 338.430 3.408 20 30 EGEDLP C[C@@H](c1ccc(C#N)cc1)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188285877 153010166 /nfs/dbraw/zinc/01/01/66/153010166.db2.gz NCPLPYQCWYMRJH-PGRDOPGGSA-N 2 2 349.478 3.188 20 30 EGEDLP N#Cc1ccc(C[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)c(F)c1 ZINC000178794508 323360860 /nfs/dbraw/zinc/36/08/60/323360860.db2.gz QVYNZYNRASQAOH-UHFFFAOYSA-N 2 2 345.462 3.070 20 30 EGEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C#N)cc3Br)CC[C@@H]21 ZINC000181149955 455294396 /nfs/dbraw/zinc/29/43/96/455294396.db2.gz BKNIJVKCJWFWAM-WBVHZDCISA-N 2 2 348.288 3.237 20 30 EGEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C#N)cc3Br)CC[C@@H]21 ZINC000181149955 455294404 /nfs/dbraw/zinc/29/44/04/455294404.db2.gz BKNIJVKCJWFWAM-WBVHZDCISA-N 2 2 348.288 3.237 20 30 EGEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(C#N)cc3Br)CC[C@@H]21 ZINC000181149955 455294406 /nfs/dbraw/zinc/29/44/06/455294406.db2.gz BKNIJVKCJWFWAM-WBVHZDCISA-N 2 2 348.288 3.237 20 30 EGEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3Br)CC[C@@H]21 ZINC000181149955 455294407 /nfs/dbraw/zinc/29/44/07/455294407.db2.gz BKNIJVKCJWFWAM-WBVHZDCISA-N 2 2 348.288 3.237 20 30 EGEDLP C=CCOc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCC)C2)cc1OC ZINC000093742244 454731525 /nfs/dbraw/zinc/73/15/25/454731525.db2.gz RSDFIUPUZAOXGH-GOSISDBHSA-N 2 2 332.488 3.424 20 30 EGEDLP C=CCOc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCC)C2)cc1OC ZINC000093742244 454731528 /nfs/dbraw/zinc/73/15/28/454731528.db2.gz RSDFIUPUZAOXGH-GOSISDBHSA-N 2 2 332.488 3.424 20 30 EGEDLP C=CCOc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCC)C2)cc1OC ZINC000093742244 454731531 /nfs/dbraw/zinc/73/15/31/454731531.db2.gz RSDFIUPUZAOXGH-GOSISDBHSA-N 2 2 332.488 3.424 20 30 EGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCC)C2)cc1OC ZINC000093742244 454731534 /nfs/dbraw/zinc/73/15/34/454731534.db2.gz RSDFIUPUZAOXGH-GOSISDBHSA-N 2 2 332.488 3.424 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000152974925 454748477 /nfs/dbraw/zinc/74/84/77/454748477.db2.gz NVVQEOVOCGZFOS-OAQYLSRUSA-N 2 2 327.516 3.281 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)CC1 ZINC000180489974 455181263 /nfs/dbraw/zinc/18/12/63/455181263.db2.gz KTZMEZWLHHALEP-HXUWFJFHSA-N 2 2 342.462 3.279 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000183499783 455300487 /nfs/dbraw/zinc/30/04/87/455300487.db2.gz VAYLFQPVXQAXKR-MRXNPFEDSA-N 2 2 337.508 3.016 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCc3oc(C(=O)OCC)c(C)c32)CC1 ZINC000192839371 455703404 /nfs/dbraw/zinc/70/34/04/455703404.db2.gz LOMIURZCHAVLKR-MRXNPFEDSA-N 2 2 346.471 3.382 20 30 EGEDLP CC(C)[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000271818886 455773649 /nfs/dbraw/zinc/77/36/49/455773649.db2.gz BYDYWGMHWMGHBN-NHCUHLMSSA-N 2 2 341.499 3.316 20 30 EGEDLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(C#N)cc1 ZINC000272181104 455869580 /nfs/dbraw/zinc/86/95/80/455869580.db2.gz FTXOENKZWAIFCI-DNVCBOLYSA-N 2 2 335.455 3.267 20 30 EGEDLP CC[NH+]=C(NCCc1ccsc1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261961238 455979037 /nfs/dbraw/zinc/97/90/37/455979037.db2.gz KFTUOGSNOWKVEH-WBVHZDCISA-N 2 2 345.516 3.036 20 30 EGEDLP COc1cc(C[NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)ccc1C#N ZINC000353194355 456550630 /nfs/dbraw/zinc/55/06/30/456550630.db2.gz TVUHDSAVBPIKRV-OXJNMPFZSA-N 2 2 335.451 3.492 20 30 EGEDLP COc1cc(C[NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)ccc1C#N ZINC000353194355 456550637 /nfs/dbraw/zinc/55/06/37/456550637.db2.gz TVUHDSAVBPIKRV-OXJNMPFZSA-N 2 2 335.451 3.492 20 30 EGEDLP COc1cc(C#N)ccc1C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000348326987 456625035 /nfs/dbraw/zinc/62/50/35/456625035.db2.gz TZXYYHNIVISEDI-NHCUHLMSSA-N 2 2 347.462 3.131 20 30 EGEDLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)C1CC[NH+](C3CC3)CC1)C2 ZINC000328712101 456743012 /nfs/dbraw/zinc/74/30/12/456743012.db2.gz CEQGDFMHLPBXDF-OAHLLOKOSA-N 2 2 344.503 3.326 20 30 EGEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000330280634 457021155 /nfs/dbraw/zinc/02/11/55/457021155.db2.gz SSNCSNSITJXELC-SJORKVTESA-N 2 2 347.507 3.218 20 30 EGEDLP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCO1 ZINC000330330793 457029573 /nfs/dbraw/zinc/02/95/73/457029573.db2.gz NOQQXEDYODQGSV-KYJSFNMBSA-N 2 2 346.475 3.004 20 30 EGEDLP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCO1 ZINC000330330793 457029576 /nfs/dbraw/zinc/02/95/76/457029576.db2.gz NOQQXEDYODQGSV-KYJSFNMBSA-N 2 2 346.475 3.004 20 30 EGEDLP Cc1cc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc(C)n1 ZINC000421368863 458411958 /nfs/dbraw/zinc/41/19/58/458411958.db2.gz BXPGDHDOTRHGIL-UHFFFAOYSA-N 2 2 334.467 3.324 20 30 EGEDLP CO[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C12CCC2 ZINC000459726268 458458769 /nfs/dbraw/zinc/45/87/69/458458769.db2.gz BMLMRVNNVLHPJK-UXHICEINSA-N 2 2 339.483 3.070 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc3c(cc2OC)C[C@@H](C)O3)CC1 ZINC000518509606 458873713 /nfs/dbraw/zinc/87/37/13/458873713.db2.gz GXUBYDMBRQIUIK-OAHLLOKOSA-N 2 2 330.472 3.149 20 30 EGEDLP C[C@H]([NH2+]C1(C[NH2+][C@H]2CC[C@H](C#N)C2)CCOCC1)c1ccccc1 ZINC000562463005 459566674 /nfs/dbraw/zinc/56/66/74/459566674.db2.gz IIESWONPFNCYNX-LNLFQRSKSA-N 2 2 327.472 3.168 20 30 EGEDLP N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000588200527 459931498 /nfs/dbraw/zinc/93/14/98/459931498.db2.gz JXTADLBJUABLDX-MRXNPFEDSA-N 2 2 345.244 3.354 20 30 EGEDLP N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000588200527 459931504 /nfs/dbraw/zinc/93/15/04/459931504.db2.gz JXTADLBJUABLDX-MRXNPFEDSA-N 2 2 345.244 3.354 20 30 EGEDLP CC(C)[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CCO1 ZINC000593693325 459953630 /nfs/dbraw/zinc/95/36/30/459953630.db2.gz UMPCBPDVKOXFFB-NHCUHLMSSA-N 2 2 341.499 3.316 20 30 EGEDLP CCc1ncc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)s1 ZINC000593693374 459954601 /nfs/dbraw/zinc/95/46/01/459954601.db2.gz WQZPDZMLNTUELD-UHFFFAOYSA-N 2 2 340.496 3.331 20 30 EGEDLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598610272 459962100 /nfs/dbraw/zinc/96/21/00/459962100.db2.gz YIAHCUUFQZOTDD-RTBURBONSA-N 2 2 331.504 3.033 20 30 EGEDLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598610272 459962107 /nfs/dbraw/zinc/96/21/07/459962107.db2.gz YIAHCUUFQZOTDD-RTBURBONSA-N 2 2 331.504 3.033 20 30 EGEDLP CC1(C)C[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CCO1 ZINC000601964755 460963882 /nfs/dbraw/zinc/96/38/82/460963882.db2.gz SXHKTMVVIZOOQO-LJQANCHMSA-N 2 2 327.472 3.070 20 30 EGEDLP C#CCCOc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000733325075 575327798 /nfs/dbraw/zinc/32/77/98/575327798.db2.gz VRACANYVZFAJSM-LJQANCHMSA-N 2 2 325.456 3.490 20 30 EGEDLP COc1ccc(C[NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1C#N ZINC000742370382 576774765 /nfs/dbraw/zinc/77/47/65/576774765.db2.gz PKKFNVNTDKQARQ-UZLBHIALSA-N 2 2 335.451 3.492 20 30 EGEDLP COc1ccc(C[NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1C#N ZINC000742370382 576774767 /nfs/dbraw/zinc/77/47/67/576774767.db2.gz PKKFNVNTDKQARQ-UZLBHIALSA-N 2 2 335.451 3.492 20 30 EGEDLP C=CCc1cc(OC)cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1O ZINC000164495084 1294348446 /nfs/dbraw/zinc/34/84/46/1294348446.db2.gz WVDIMUSDJFBJJG-GOSISDBHSA-N 2 2 340.423 3.178 20 30 EGEDLP C=CCc1cc(OC)cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1O ZINC000164495084 1294348454 /nfs/dbraw/zinc/34/84/54/1294348454.db2.gz WVDIMUSDJFBJJG-GOSISDBHSA-N 2 2 340.423 3.178 20 30 EGEDLP CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC000303780975 1296851643 /nfs/dbraw/zinc/85/16/43/1296851643.db2.gz LURIZQBLTUKCBC-LPHOPBHVSA-N 2 2 346.519 3.284 20 30 EGEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@H]1CCOC2(CCOCC2)C1)C(C)C ZINC000885921293 1303276864 /nfs/dbraw/zinc/27/68/64/1303276864.db2.gz YGQNYWZTMGAWFJ-OALUTQOASA-N 2 2 336.520 3.003 20 30 EGEDLP C[NH+]1CCN(c2ccc(C=[NH+]Nc3cc(F)cc(F)c3)cc2)CC1 ZINC000771564463 1303420968 /nfs/dbraw/zinc/42/09/68/1303420968.db2.gz RRDUAUIWLXCQHF-UHFFFAOYSA-N 2 2 330.382 3.163 20 30 EGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+]CC1CCC2(CC1)OCCO2)C(C)C ZINC000795893310 1309855685 /nfs/dbraw/zinc/85/56/85/1309855685.db2.gz CDUASNMLWGFUNS-LJQANCHMSA-N 2 2 336.520 3.208 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3cccc4c3OCC4)CC2)cc1 ZINC000922945485 1322655866 /nfs/dbraw/zinc/65/58/66/1322655866.db2.gz ZNXLYFRRXBKQNX-UHFFFAOYSA-N 2 2 347.462 3.247 20 30 EGEDLP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025290132 1324115201 /nfs/dbraw/zinc/11/52/01/1324115201.db2.gz YODBKWHEXGDEIE-IRXDYDNUSA-N 2 2 344.503 3.109 20 30 EGEDLP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025290132 1324115203 /nfs/dbraw/zinc/11/52/03/1324115203.db2.gz YODBKWHEXGDEIE-IRXDYDNUSA-N 2 2 344.503 3.109 20 30 EGEDLP C=C(Cl)C[N@H+]1CCC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948593831 1333588779 /nfs/dbraw/zinc/58/87/79/1333588779.db2.gz IMPGMFMYUQPMBG-INIZCTEOSA-N 2 2 346.862 3.013 20 30 EGEDLP C=C(Cl)C[N@@H+]1CCC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948593831 1333588781 /nfs/dbraw/zinc/58/87/81/1333588781.db2.gz IMPGMFMYUQPMBG-INIZCTEOSA-N 2 2 346.862 3.013 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001052499239 1348560275 /nfs/dbraw/zinc/56/02/75/1348560275.db2.gz RAKPCHWVZBWRMZ-MRXNPFEDSA-N 2 2 326.444 3.113 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001052499239 1348560278 /nfs/dbraw/zinc/56/02/78/1348560278.db2.gz RAKPCHWVZBWRMZ-MRXNPFEDSA-N 2 2 326.444 3.113 20 30 EGEDLP C=CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC(C)(C)C1 ZINC001089416672 1360411009 /nfs/dbraw/zinc/41/10/09/1360411009.db2.gz OEWODELPPCPLLP-KRWDZBQOSA-N 2 2 346.519 3.110 20 30 EGEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC(C)(C)C1 ZINC001089416672 1360411013 /nfs/dbraw/zinc/41/10/13/1360411013.db2.gz OEWODELPPCPLLP-KRWDZBQOSA-N 2 2 346.519 3.110 20 30 EGEDLP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc4c[nH+]ccc4[nH]3)CCC[C@@H]12 ZINC001094449924 1361805403 /nfs/dbraw/zinc/80/54/03/1361805403.db2.gz ZPDAFUDOCOIMCC-UYAOXDASSA-N 2 2 338.455 3.113 20 30 EGEDLP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)c3cc4c[nH+]ccc4[nH]3)CCC[C@@H]12 ZINC001094449924 1361805408 /nfs/dbraw/zinc/80/54/08/1361805408.db2.gz ZPDAFUDOCOIMCC-UYAOXDASSA-N 2 2 338.455 3.113 20 30 EGEDLP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001100522655 1364146115 /nfs/dbraw/zinc/14/61/15/1364146115.db2.gz ZDWBBRHQZXOARC-NNGSBXSVSA-N 2 2 329.488 3.460 20 30 EGEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001103145457 1365407893 /nfs/dbraw/zinc/40/78/93/1365407893.db2.gz LDOKIROOWPYVEF-HZPDHXFCSA-N 2 2 340.471 3.217 20 30 EGEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001103145457 1365407896 /nfs/dbraw/zinc/40/78/96/1365407896.db2.gz LDOKIROOWPYVEF-HZPDHXFCSA-N 2 2 340.471 3.217 20 30 EGEDLP C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001104954549 1366240920 /nfs/dbraw/zinc/24/09/20/1366240920.db2.gz HJHJQZBBGPFXQG-SJLPKXTDSA-N 2 2 346.519 3.081 20 30 EGEDLP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001106938323 1366840291 /nfs/dbraw/zinc/84/02/91/1366840291.db2.gz RIPKQCVNZAWWOU-QZTJIDSGSA-N 2 2 348.535 3.007 20 30 EGEDLP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001190756823 1367343569 /nfs/dbraw/zinc/34/35/69/1367343569.db2.gz XXGHCAOJAQGFNB-GVDBMIGSSA-N 2 2 332.492 3.016 20 30 EGEDLP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001190756823 1367343573 /nfs/dbraw/zinc/34/35/73/1367343573.db2.gz XXGHCAOJAQGFNB-GVDBMIGSSA-N 2 2 332.492 3.016 20 30 EGEDLP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001190756823 1367343578 /nfs/dbraw/zinc/34/35/78/1367343578.db2.gz XXGHCAOJAQGFNB-GVDBMIGSSA-N 2 2 332.492 3.016 20 30 EGEDLP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001190756823 1367343584 /nfs/dbraw/zinc/34/35/84/1367343584.db2.gz XXGHCAOJAQGFNB-GVDBMIGSSA-N 2 2 332.492 3.016 20 30 EGEDLP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190934068 1367385161 /nfs/dbraw/zinc/38/51/61/1367385161.db2.gz MVULTGSDOGLLSB-GOEBONIOSA-N 2 2 326.444 3.064 20 30 EGEDLP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190934068 1367385165 /nfs/dbraw/zinc/38/51/65/1367385165.db2.gz MVULTGSDOGLLSB-GOEBONIOSA-N 2 2 326.444 3.064 20 30 EGEDLP CCCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001197187276 1368761817 /nfs/dbraw/zinc/76/18/17/1368761817.db2.gz CWUFHFNMQBGCCU-QZTJIDSGSA-N 2 2 346.519 3.028 20 30 EGEDLP CCCCCCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001197187276 1368761821 /nfs/dbraw/zinc/76/18/21/1368761821.db2.gz CWUFHFNMQBGCCU-QZTJIDSGSA-N 2 2 346.519 3.028 20 30 EGEDLP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001112537366 1368919320 /nfs/dbraw/zinc/91/93/20/1368919320.db2.gz CIQGCIKDZHNART-HBFSDRIKSA-N 2 2 344.503 3.019 20 30 EGEDLP CCCCCCCC[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001201813237 1369628155 /nfs/dbraw/zinc/62/81/55/1369628155.db2.gz COYLVSZMTFRSRB-UHFFFAOYSA-N 2 2 330.480 3.089 20 30 EGEDLP CCCCCCCC[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001201813237 1369628157 /nfs/dbraw/zinc/62/81/57/1369628157.db2.gz COYLVSZMTFRSRB-UHFFFAOYSA-N 2 2 330.480 3.089 20 30 EGEDLP C=CCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001205487514 1370770395 /nfs/dbraw/zinc/77/03/95/1370770395.db2.gz FIFWBGFWWHXMAV-QZTJIDSGSA-N 2 2 344.503 3.088 20 30 EGEDLP C=CCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001205487514 1370770399 /nfs/dbraw/zinc/77/03/99/1370770399.db2.gz FIFWBGFWWHXMAV-QZTJIDSGSA-N 2 2 344.503 3.088 20 30 EGEDLP C=CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001120366309 1371550294 /nfs/dbraw/zinc/55/02/94/1371550294.db2.gz YTZYZUXSTCAKCH-ROUUACIJSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001120366309 1371550296 /nfs/dbraw/zinc/55/02/96/1371550296.db2.gz YTZYZUXSTCAKCH-ROUUACIJSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCCCCC)CC[C@H]1C ZINC001132365697 1375330044 /nfs/dbraw/zinc/33/00/44/1375330044.db2.gz OFFJIHDPDBUFHK-SJORKVTESA-N 2 2 343.943 3.220 20 30 EGEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)CC[C@H]1C ZINC001132365697 1375330051 /nfs/dbraw/zinc/33/00/51/1375330051.db2.gz OFFJIHDPDBUFHK-SJORKVTESA-N 2 2 343.943 3.220 20 30 EGEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)CC[C@H]1C ZINC001132365697 1375330053 /nfs/dbraw/zinc/33/00/53/1375330053.db2.gz OFFJIHDPDBUFHK-SJORKVTESA-N 2 2 343.943 3.220 20 30 EGEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)CC[C@H]1C ZINC001132365697 1375330058 /nfs/dbraw/zinc/33/00/58/1375330058.db2.gz OFFJIHDPDBUFHK-SJORKVTESA-N 2 2 343.943 3.220 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C ZINC001132444606 1375388183 /nfs/dbraw/zinc/38/81/83/1375388183.db2.gz CNWPYRDHQUYAIQ-DOTOQJQBSA-N 2 2 334.508 3.200 20 30 EGEDLP CCCCCCC[N@H+]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C ZINC001132444606 1375388185 /nfs/dbraw/zinc/38/81/85/1375388185.db2.gz CNWPYRDHQUYAIQ-DOTOQJQBSA-N 2 2 334.508 3.200 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001132546478 1375453219 /nfs/dbraw/zinc/45/32/19/1375453219.db2.gz MJWGIMYABNHVOU-OALUTQOASA-N 2 2 346.519 3.379 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001132546478 1375453223 /nfs/dbraw/zinc/45/32/23/1375453223.db2.gz MJWGIMYABNHVOU-OALUTQOASA-N 2 2 346.519 3.379 20 30 EGEDLP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001229465037 1375841852 /nfs/dbraw/zinc/84/18/52/1375841852.db2.gz GAWPFSRUAWWLTD-RTBURBONSA-N 2 2 338.455 3.079 20 30 EGEDLP C[NH+]1CCN(c2ccc(C[N@H+](CCC#N)Cc3ccccc3)cc2)CC1 ZINC001139404332 1377879059 /nfs/dbraw/zinc/87/90/59/1377879059.db2.gz APAMBUFBBILQFV-UHFFFAOYSA-N 2 2 348.494 3.354 20 30 EGEDLP C[NH+]1CCN(c2ccc(C[N@@H+](CCC#N)Cc3ccccc3)cc2)CC1 ZINC001139404332 1377879060 /nfs/dbraw/zinc/87/90/60/1377879060.db2.gz APAMBUFBBILQFV-UHFFFAOYSA-N 2 2 348.494 3.354 20 30 EGEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140117023 1378011967 /nfs/dbraw/zinc/01/19/67/1378011967.db2.gz KJDAFWQADQYBHB-QGZVFWFLSA-N 2 2 332.407 3.396 20 30 EGEDLP C=CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001158050899 1381113599 /nfs/dbraw/zinc/11/35/99/1381113599.db2.gz XXJCHNDTKWIGRJ-LJQANCHMSA-N 2 2 346.519 3.402 20 30 EGEDLP C=CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001158050899 1381113602 /nfs/dbraw/zinc/11/36/02/1381113602.db2.gz XXJCHNDTKWIGRJ-LJQANCHMSA-N 2 2 346.519 3.402 20 30 EGEDLP C=CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001158050899 1381113605 /nfs/dbraw/zinc/11/36/05/1381113605.db2.gz XXJCHNDTKWIGRJ-LJQANCHMSA-N 2 2 346.519 3.402 20 30 EGEDLP C=CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001158050899 1381113610 /nfs/dbraw/zinc/11/36/10/1381113610.db2.gz XXJCHNDTKWIGRJ-LJQANCHMSA-N 2 2 346.519 3.402 20 30 EGEDLP C=CCCCCC[N@H+]1CC=C(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001159964581 1381952710 /nfs/dbraw/zinc/95/27/10/1381952710.db2.gz SIKBBPLMHIULBA-UHFFFAOYSA-N 2 2 344.503 3.227 20 30 EGEDLP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001159964581 1381952713 /nfs/dbraw/zinc/95/27/13/1381952713.db2.gz SIKBBPLMHIULBA-UHFFFAOYSA-N 2 2 344.503 3.227 20 30 EGEDLP C=CCC[N@H+]1CC=C(CCNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001160761885 1382188985 /nfs/dbraw/zinc/18/89/85/1382188985.db2.gz ZHCOOBLLPAADDC-UHFFFAOYSA-N 2 2 327.472 3.335 20 30 EGEDLP C=CCC[N@@H+]1CC=C(CCNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001160761885 1382188992 /nfs/dbraw/zinc/18/89/92/1382188992.db2.gz ZHCOOBLLPAADDC-UHFFFAOYSA-N 2 2 327.472 3.335 20 30 EGEDLP N#CCc1cc[nH+]c(NCCCP(CCC[NH3+])c2ccccc2)c1 ZINC001162467513 1382766661 /nfs/dbraw/zinc/76/66/61/1382766661.db2.gz SPXTVNSNTYZCRS-UHFFFAOYSA-N 2 2 340.411 3.106 20 30 EGEDLP Cc1ccc(CC#N)c(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)[nH+]1 ZINC001165306225 1383270195 /nfs/dbraw/zinc/27/01/95/1383270195.db2.gz GCOUSDDPSDBCNX-CQSZACIVSA-N 2 2 338.377 3.109 20 30 EGEDLP C[C@@H](Cc1ccc(C#N)cc1)N(c1cc[nH+]cc1F)C1CC[NH2+]CC1 ZINC001172312788 1384767390 /nfs/dbraw/zinc/76/73/90/1384767390.db2.gz JLUNCVGUZZUDOR-HNNXBMFYSA-N 2 2 338.430 3.282 20 30 EGEDLP C=CCOC1CCC([NH+]2CCn3c(C[N@@H+](C)C(C)C)cnc3C2)CC1 ZINC001173321417 1384958151 /nfs/dbraw/zinc/95/81/51/1384958151.db2.gz LEZMCXUMWXCONL-UHFFFAOYSA-N 2 2 346.519 3.053 20 30 EGEDLP C=CCOC1CCC([NH+]2CCn3c(C[N@H+](C)C(C)C)cnc3C2)CC1 ZINC001173321417 1384958155 /nfs/dbraw/zinc/95/81/55/1384958155.db2.gz LEZMCXUMWXCONL-UHFFFAOYSA-N 2 2 346.519 3.053 20 30 EGEDLP C=CCOC1CCC([N@H+]2CCn3c(C[NH+](C)C(C)C)cnc3C2)CC1 ZINC001173321417 1384958159 /nfs/dbraw/zinc/95/81/59/1384958159.db2.gz LEZMCXUMWXCONL-UHFFFAOYSA-N 2 2 346.519 3.053 20 30 EGEDLP C=CCOC1CCC([N@@H+]2CCn3c(C[NH+](C)C(C)C)cnc3C2)CC1 ZINC001173321417 1384958161 /nfs/dbraw/zinc/95/81/61/1384958161.db2.gz LEZMCXUMWXCONL-UHFFFAOYSA-N 2 2 346.519 3.053 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CCCN(CC1CCCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001177447949 1385959556 /nfs/dbraw/zinc/95/95/56/1385959556.db2.gz AVJHEQMORZYXNN-QGZVFWFLSA-N 2 2 346.519 3.305 20 30 EGEDLP CCCCCCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001343556755 1390722335 /nfs/dbraw/zinc/72/23/35/1390722335.db2.gz FYEXRVKTOPQNDH-QZTJIDSGSA-N 2 2 348.535 3.279 20 30 EGEDLP CCCCCCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001343556756 1390722447 /nfs/dbraw/zinc/72/24/47/1390722447.db2.gz FYEXRVKTOPQNDH-ROUUACIJSA-N 2 2 348.535 3.279 20 30 EGEDLP CCc1cnc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000181834240 529652518 /nfs/dbraw/zinc/65/25/18/529652518.db2.gz IZUPVDISQCGHQC-UHFFFAOYSA-N 2 2 340.496 3.331 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H]4OCC[C@@H]43)CC2)cc1 ZINC000181901994 234374556 /nfs/dbraw/zinc/37/45/56/234374556.db2.gz WHUVVANWBZCBDS-NJDAHSKKSA-N 2 2 339.483 3.070 20 30 EGEDLP C[C@H]1C[C@H]([NH+](C)Cc2cc(C#N)n(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000191348744 239057524 /nfs/dbraw/zinc/05/75/24/239057524.db2.gz VESNNERGTFPQNT-FXAWDEMLSA-N 2 2 336.483 3.382 20 30 EGEDLP C[C@H]1C[C@H]([NH+](C)Cc2cc(C#N)n(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000191348744 239057530 /nfs/dbraw/zinc/05/75/30/239057530.db2.gz VESNNERGTFPQNT-FXAWDEMLSA-N 2 2 336.483 3.382 20 30 EGEDLP C[C@H]1C[C@H]([N@H+](C)Cc2cc(C#N)n(C)c2)CC[NH+]1Cc1ccccc1 ZINC000191348744 239057536 /nfs/dbraw/zinc/05/75/36/239057536.db2.gz VESNNERGTFPQNT-FXAWDEMLSA-N 2 2 336.483 3.382 20 30 EGEDLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(C#N)n(C)c2)CC[NH+]1Cc1ccccc1 ZINC000191348744 239057541 /nfs/dbraw/zinc/05/75/41/239057541.db2.gz VESNNERGTFPQNT-FXAWDEMLSA-N 2 2 336.483 3.382 20 30 EGEDLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc(C#N)c1 ZINC000191831353 239323368 /nfs/dbraw/zinc/32/33/68/239323368.db2.gz CNBWTRPQTZUAQT-PGRDOPGGSA-N 2 2 349.478 3.500 20 30 EGEDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc(C#N)c1 ZINC000191831353 239323373 /nfs/dbraw/zinc/32/33/73/239323373.db2.gz CNBWTRPQTZUAQT-PGRDOPGGSA-N 2 2 349.478 3.500 20 30 EGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000298594294 132393175 /nfs/dbraw/zinc/39/31/75/132393175.db2.gz YPTXJNIZBHJAGI-OAQYLSRUSA-N 3 2 342.531 3.339 20 30 EGEDLP Cc1cc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c(C#N)c[nH+]1 ZINC000399555067 267343033 /nfs/dbraw/zinc/34/30/33/267343033.db2.gz CLKZMHHWQLNAJI-ICSRJNTNSA-N 2 2 332.451 3.220 20 30 EGEDLP Cc1cc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c(C#N)c[nH+]1 ZINC000399555067 267343037 /nfs/dbraw/zinc/34/30/37/267343037.db2.gz CLKZMHHWQLNAJI-ICSRJNTNSA-N 2 2 332.451 3.220 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3Cc4ccccc43)CC2)cc1 ZINC000181694185 455373312 /nfs/dbraw/zinc/37/33/12/455373312.db2.gz NMLICBLZYUUVMR-FQEVSTJZSA-N 2 2 331.463 3.452 20 30 EGEDLP CC(C)C[C@H](CCO)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181843071 455388207 /nfs/dbraw/zinc/38/82/07/455388207.db2.gz AQKZGGRHTGJGEU-FQEVSTJZSA-N 2 2 343.515 3.157 20 30 EGEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000090004425 454261187 /nfs/dbraw/zinc/26/11/87/454261187.db2.gz AKVBHZSCEOXSFA-SFHVURJKSA-N 2 2 338.455 3.015 20 30 EGEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000090004425 454261193 /nfs/dbraw/zinc/26/11/93/454261193.db2.gz AKVBHZSCEOXSFA-SFHVURJKSA-N 2 2 338.455 3.015 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2nc3cc(Cl)ccc3n2C)CC1 ZINC000122359451 454525925 /nfs/dbraw/zinc/52/59/25/454525925.db2.gz PDYORTUZKSAIQB-UHFFFAOYSA-N 2 2 332.879 3.357 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)CC1 ZINC000093405894 454712981 /nfs/dbraw/zinc/71/29/81/454712981.db2.gz RSJRMQXLMKZPHQ-HNNXBMFYSA-N 2 2 327.476 3.037 20 30 EGEDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000176971317 454806332 /nfs/dbraw/zinc/80/63/32/454806332.db2.gz BUYLVLUHFMTFHQ-KDOFPFPSSA-N 2 2 326.469 3.015 20 30 EGEDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000176971317 454806336 /nfs/dbraw/zinc/80/63/36/454806336.db2.gz BUYLVLUHFMTFHQ-KDOFPFPSSA-N 2 2 326.469 3.015 20 30 EGEDLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](CCC#N)CC(C)(C)C)c2cc1C ZINC000111250661 454858984 /nfs/dbraw/zinc/85/89/84/454858984.db2.gz BHADVSOTIBGZHR-QGZVFWFLSA-N 2 2 342.487 3.276 20 30 EGEDLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](CCC#N)CC(C)(C)C)c2cc1C ZINC000111250661 454858988 /nfs/dbraw/zinc/85/89/88/454858988.db2.gz BHADVSOTIBGZHR-QGZVFWFLSA-N 2 2 342.487 3.276 20 30 EGEDLP C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1 ZINC000126359362 454888742 /nfs/dbraw/zinc/88/87/42/454888742.db2.gz GBBMNXSLXPYINH-INIZCTEOSA-N 2 2 346.434 3.439 20 30 EGEDLP Cc1ncc(CO[NH+]=C(N)c2ccccc2C[NH+]2CCCCC2)s1 ZINC000171233591 455048129 /nfs/dbraw/zinc/04/81/29/455048129.db2.gz KZIYAOCWWUFUBO-UHFFFAOYSA-N 2 2 344.484 3.275 20 30 EGEDLP N#Cc1cccc(OC2CC[NH+](Cc3cccc4[nH+]ccn43)CC2)c1 ZINC000179778734 455077712 /nfs/dbraw/zinc/07/77/12/455077712.db2.gz VUCMTCHROVZQTI-UHFFFAOYSA-N 2 2 332.407 3.249 20 30 EGEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000156449677 455119735 /nfs/dbraw/zinc/11/97/35/455119735.db2.gz LLPRHIMDKIQQNC-DNVCBOLYSA-N 2 2 340.471 3.253 20 30 EGEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000156449677 455119739 /nfs/dbraw/zinc/11/97/39/455119739.db2.gz LLPRHIMDKIQQNC-DNVCBOLYSA-N 2 2 340.471 3.253 20 30 EGEDLP [NH2+]=C(NCCCc1[nH]c2ccccc2[nH+]1)Nc1ccc2c(c1)CCC2 ZINC000264073754 455189697 /nfs/dbraw/zinc/18/96/97/455189697.db2.gz FAPFWRYNJJPCAD-UHFFFAOYSA-N 2 2 333.439 3.411 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCOC3CCCCC3)CC2)cc1 ZINC000271872412 455794541 /nfs/dbraw/zinc/79/45/41/455794541.db2.gz MYULQYZCVFFCEP-UHFFFAOYSA-N 2 2 341.499 3.462 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H](COC)c2cccc(Cl)c2F)CC1 ZINC000287891685 456081726 /nfs/dbraw/zinc/08/17/26/456081726.db2.gz YZSSLOUNGFGIQO-INIZCTEOSA-N 2 2 326.843 3.407 20 30 EGEDLP C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000348258616 456576409 /nfs/dbraw/zinc/57/64/09/456576409.db2.gz XHOOWWXKTJDHAE-CJNGLKHVSA-N 2 2 346.381 3.439 20 30 EGEDLP C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000348258616 456576416 /nfs/dbraw/zinc/57/64/16/456576416.db2.gz XHOOWWXKTJDHAE-CJNGLKHVSA-N 2 2 346.381 3.439 20 30 EGEDLP N#Cc1ccc(Br)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000276972742 456637691 /nfs/dbraw/zinc/63/76/91/456637691.db2.gz XESUABBYJUSSSB-UHFFFAOYSA-N 2 2 345.244 3.423 20 30 EGEDLP Cn1cc[nH+]c1[C@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)C1CCOCC1 ZINC000329440556 456890271 /nfs/dbraw/zinc/89/02/71/456890271.db2.gz JXHVSRXPJORFIQ-SJLPKXTDSA-N 2 2 348.491 3.109 20 30 EGEDLP Cn1cc[nH+]c1[C@H](NC(=O)CC[C@H]1CCCC[N@H+]1C)C1CCOCC1 ZINC000329440556 456890276 /nfs/dbraw/zinc/89/02/76/456890276.db2.gz JXHVSRXPJORFIQ-SJLPKXTDSA-N 2 2 348.491 3.109 20 30 EGEDLP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000330005995 456973022 /nfs/dbraw/zinc/97/30/22/456973022.db2.gz CLEPYRZRFDABMP-SJORKVTESA-N 2 2 326.444 3.318 20 30 EGEDLP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000330005995 456973024 /nfs/dbraw/zinc/97/30/24/456973024.db2.gz CLEPYRZRFDABMP-SJORKVTESA-N 2 2 326.444 3.318 20 30 EGEDLP N#Cc1cc(Cl)ccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000375395009 457913804 /nfs/dbraw/zinc/91/38/04/457913804.db2.gz QNNNQDHSLVKFIB-UHFFFAOYSA-N 2 2 347.890 3.146 20 30 EGEDLP C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000579473911 459246983 /nfs/dbraw/zinc/24/69/83/459246983.db2.gz SCKZMNMJEAQMQF-MSOLQXFVSA-N 2 2 330.472 3.367 20 30 EGEDLP C=CCOc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000579473911 459246992 /nfs/dbraw/zinc/24/69/92/459246992.db2.gz SCKZMNMJEAQMQF-MSOLQXFVSA-N 2 2 330.472 3.367 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc3ccccc3nc2OC)CC1 ZINC000536538459 459359705 /nfs/dbraw/zinc/35/97/05/459359705.db2.gz OUSZYCAJLTVMNE-UHFFFAOYSA-N 2 2 325.456 3.374 20 30 EGEDLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000591770817 459432699 /nfs/dbraw/zinc/43/26/99/459432699.db2.gz JWSDEODIEMNBJZ-RBBKRZOGSA-N 2 2 349.478 3.018 20 30 EGEDLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000591770817 459432705 /nfs/dbraw/zinc/43/27/05/459432705.db2.gz JWSDEODIEMNBJZ-RBBKRZOGSA-N 2 2 349.478 3.018 20 30 EGEDLP N#CCCC1CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000563066003 459709190 /nfs/dbraw/zinc/70/91/90/459709190.db2.gz HAZPJHSUZZAUKG-UHFFFAOYSA-N 2 2 340.515 3.214 20 30 EGEDLP N#Cc1ccc(N2CCC([NH2+]C[C@@H]3[NH2+]CCc4ccccc43)CC2)cc1 ZINC000566092375 459804610 /nfs/dbraw/zinc/80/46/10/459804610.db2.gz FQJXRIGPSDGYQW-QFIPXVFZSA-N 2 2 346.478 3.004 20 30 EGEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598597861 459957706 /nfs/dbraw/zinc/95/77/06/459957706.db2.gz VMBNVHBHUCJIOD-IRXDYDNUSA-N 2 2 340.471 3.110 20 30 EGEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598597861 459957710 /nfs/dbraw/zinc/95/77/10/459957710.db2.gz VMBNVHBHUCJIOD-IRXDYDNUSA-N 2 2 340.471 3.110 20 30 EGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccc(F)cn1 ZINC000593719385 459962706 /nfs/dbraw/zinc/96/27/06/459962706.db2.gz CQDQSECCPFWTGS-HNNXBMFYSA-N 2 2 338.430 3.408 20 30 EGEDLP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C[C@@H](C)O1 ZINC000611390087 460352876 /nfs/dbraw/zinc/35/28/76/460352876.db2.gz BBWCRTMNJVTJKT-JXXFODFXSA-N 2 2 327.472 3.025 20 30 EGEDLP CN(CCC#N)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000039736750 522673753 /nfs/dbraw/zinc/67/37/53/522673753.db2.gz OMXDSJXHJATKBG-NRFANRHFSA-N 2 2 348.494 3.401 20 30 EGEDLP CN(CCC#N)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000039736750 522673763 /nfs/dbraw/zinc/67/37/63/522673763.db2.gz OMXDSJXHJATKBG-NRFANRHFSA-N 2 2 348.494 3.401 20 30 EGEDLP C[C@H](C#N)Oc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000728711483 574768318 /nfs/dbraw/zinc/76/83/18/574768318.db2.gz FUXZLQWLRHJGTI-CRAIPNDOSA-N 2 2 326.444 3.378 20 30 EGEDLP CCc1cccc(NC(=[NH2+])NC[C@@H](c2cccc(OC)c2)[NH+](C)C)c1 ZINC000303771614 1296850078 /nfs/dbraw/zinc/85/00/78/1296850078.db2.gz CTKRYBGRPSXTQY-IBGZPJMESA-N 2 2 340.471 3.287 20 30 EGEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])Nc1cccc(OC)c1)c1ccco1 ZINC000303882329 1296869688 /nfs/dbraw/zinc/86/96/88/1296869688.db2.gz LHXFYJOSQNXPBA-MRXNPFEDSA-N 2 2 330.432 3.098 20 30 EGEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCOc2ccccc2Cl)cc1 ZINC000747838788 1298868392 /nfs/dbraw/zinc/86/83/92/1298868392.db2.gz KZFAQSPHKLJXNH-UHFFFAOYSA-N 2 2 347.846 3.118 20 30 EGEDLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878159721 1299786102 /nfs/dbraw/zinc/78/61/02/1299786102.db2.gz SKWWYKXCTYFONK-FPOVZHCZSA-N 2 2 341.499 3.091 20 30 EGEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878159721 1299786128 /nfs/dbraw/zinc/78/61/28/1299786128.db2.gz SKWWYKXCTYFONK-FPOVZHCZSA-N 2 2 341.499 3.091 20 30 EGEDLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878159721 1299786135 /nfs/dbraw/zinc/78/61/35/1299786135.db2.gz SKWWYKXCTYFONK-FPOVZHCZSA-N 2 2 341.499 3.091 20 30 EGEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878159721 1299786143 /nfs/dbraw/zinc/78/61/43/1299786143.db2.gz SKWWYKXCTYFONK-FPOVZHCZSA-N 2 2 341.499 3.091 20 30 EGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC)cc1Br ZINC000815652448 1319037991 /nfs/dbraw/zinc/03/79/91/1319037991.db2.gz CRRVLKZFDSKXMK-ZDUSSCGKSA-N 2 2 339.277 3.063 20 30 EGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC)cc1Br ZINC000815652448 1319037998 /nfs/dbraw/zinc/03/79/98/1319037998.db2.gz CRRVLKZFDSKXMK-ZDUSSCGKSA-N 2 2 339.277 3.063 20 30 EGEDLP Cc1ccc(O)c(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000846105865 1321768065 /nfs/dbraw/zinc/76/80/65/1321768065.db2.gz BEDGJWZQGGQSPY-UHFFFAOYSA-N 2 2 335.451 3.327 20 30 EGEDLP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001024737700 1323636780 /nfs/dbraw/zinc/63/67/80/1323636780.db2.gz LXQIXGMJTUJCRM-LJQANCHMSA-N 2 2 338.455 3.033 20 30 EGEDLP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001024737700 1323636785 /nfs/dbraw/zinc/63/67/85/1323636785.db2.gz LXQIXGMJTUJCRM-LJQANCHMSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025290130 1324114741 /nfs/dbraw/zinc/11/47/41/1324114741.db2.gz YODBKWHEXGDEIE-DLBZAZTESA-N 2 2 344.503 3.109 20 30 EGEDLP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025290130 1324114743 /nfs/dbraw/zinc/11/47/43/1324114743.db2.gz YODBKWHEXGDEIE-DLBZAZTESA-N 2 2 344.503 3.109 20 30 EGEDLP C=C(Cl)C[NH2+]C1CCC(NC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001026531353 1324870464 /nfs/dbraw/zinc/87/04/64/1324870464.db2.gz CXTBEYXBDYCHAL-UHFFFAOYSA-N 2 2 335.879 3.390 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000948767261 1333669393 /nfs/dbraw/zinc/66/93/93/1333669393.db2.gz USRPUBQPSSBPBU-IAGOWNOFSA-N 2 2 344.503 3.109 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000948767261 1333669395 /nfs/dbraw/zinc/66/93/95/1333669395.db2.gz USRPUBQPSSBPBU-IAGOWNOFSA-N 2 2 344.503 3.109 20 30 EGEDLP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000969022329 1336120052 /nfs/dbraw/zinc/12/00/52/1336120052.db2.gz BXCFDXOEUBITQO-DLBZAZTESA-N 2 2 344.503 3.157 20 30 EGEDLP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000969022329 1336120054 /nfs/dbraw/zinc/12/00/54/1336120054.db2.gz BXCFDXOEUBITQO-DLBZAZTESA-N 2 2 344.503 3.157 20 30 EGEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1CC ZINC001037855052 1344140710 /nfs/dbraw/zinc/14/07/10/1344140710.db2.gz NBOUPOGHUBXYMT-SJLPKXTDSA-N 2 2 340.471 3.049 20 30 EGEDLP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001045969703 1346804860 /nfs/dbraw/zinc/80/48/60/1346804860.db2.gz XKFZCMINPKYHLY-UYAOXDASSA-N 2 2 344.503 3.115 20 30 EGEDLP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001045969703 1346804864 /nfs/dbraw/zinc/80/48/64/1346804864.db2.gz XKFZCMINPKYHLY-UYAOXDASSA-N 2 2 344.503 3.115 20 30 EGEDLP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001086945964 1359267215 /nfs/dbraw/zinc/26/72/15/1359267215.db2.gz MILLCTOYDJMMOZ-QZTJIDSGSA-N 2 2 344.503 3.113 20 30 EGEDLP CCCCCCC[NH2+]C[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001184274977 1387422138 /nfs/dbraw/zinc/42/21/38/1387422138.db2.gz UXUHYLRLNCFKQV-QZTJIDSGSA-N 2 2 348.535 3.387 20 30 EGEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089657222 1360569250 /nfs/dbraw/zinc/56/92/50/1360569250.db2.gz BHDZYZRSXOURMT-MRXNPFEDSA-N 2 2 340.471 3.359 20 30 EGEDLP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089657222 1360569252 /nfs/dbraw/zinc/56/92/52/1360569252.db2.gz BHDZYZRSXOURMT-MRXNPFEDSA-N 2 2 340.471 3.359 20 30 EGEDLP C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001099264187 1363721341 /nfs/dbraw/zinc/72/13/41/1363721341.db2.gz OVOJEBYFHLQTPQ-WMZOPIPTSA-N 2 2 346.519 3.161 20 30 EGEDLP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001099264187 1363721343 /nfs/dbraw/zinc/72/13/43/1363721343.db2.gz OVOJEBYFHLQTPQ-WMZOPIPTSA-N 2 2 346.519 3.161 20 30 EGEDLP C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001099264187 1363721346 /nfs/dbraw/zinc/72/13/46/1363721346.db2.gz OVOJEBYFHLQTPQ-WMZOPIPTSA-N 2 2 346.519 3.161 20 30 EGEDLP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001099264187 1363721350 /nfs/dbraw/zinc/72/13/50/1363721350.db2.gz OVOJEBYFHLQTPQ-WMZOPIPTSA-N 2 2 346.519 3.161 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001100331970 1364081693 /nfs/dbraw/zinc/08/16/93/1364081693.db2.gz RXZGZGUEQLUJRW-MXWWQKGMSA-N 2 2 340.471 3.095 20 30 EGEDLP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[C@H](C)n2cc[nH+]c2)CCC1 ZINC001105566204 1366534207 /nfs/dbraw/zinc/53/42/07/1366534207.db2.gz GOPNBIGWWBMGOU-ROUUACIJSA-N 2 2 344.503 3.161 20 30 EGEDLP C=CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001105570403 1366537881 /nfs/dbraw/zinc/53/78/81/1366537881.db2.gz OUZVOMYOZNUXPR-KRWDZBQOSA-N 2 2 344.503 3.059 20 30 EGEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001107076250 1366870814 /nfs/dbraw/zinc/87/08/14/1366870814.db2.gz MJRJKDNXQNHXSJ-RTBURBONSA-N 2 2 346.519 3.094 20 30 EGEDLP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001109419130 1367112989 /nfs/dbraw/zinc/11/29/89/1367112989.db2.gz JPYFDCDQSZMKMG-RXYDEIHYSA-N 2 2 344.503 3.205 20 30 EGEDLP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001109419130 1367112992 /nfs/dbraw/zinc/11/29/92/1367112992.db2.gz JPYFDCDQSZMKMG-RXYDEIHYSA-N 2 2 344.503 3.205 20 30 EGEDLP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001109419130 1367112995 /nfs/dbraw/zinc/11/29/95/1367112995.db2.gz JPYFDCDQSZMKMG-RXYDEIHYSA-N 2 2 344.503 3.205 20 30 EGEDLP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001109419130 1367112998 /nfs/dbraw/zinc/11/29/98/1367112998.db2.gz JPYFDCDQSZMKMG-RXYDEIHYSA-N 2 2 344.503 3.205 20 30 EGEDLP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001192427029 1367779553 /nfs/dbraw/zinc/77/95/53/1367779553.db2.gz UZUWWJRAZOBVKA-RCCFBDPRSA-N 2 2 346.519 3.027 20 30 EGEDLP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001192427029 1367779557 /nfs/dbraw/zinc/77/95/57/1367779557.db2.gz UZUWWJRAZOBVKA-RCCFBDPRSA-N 2 2 346.519 3.027 20 30 EGEDLP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001192778729 1367872162 /nfs/dbraw/zinc/87/21/62/1367872162.db2.gz PKMVWXDONSTXKT-WMZOPIPTSA-N 2 2 334.508 3.091 20 30 EGEDLP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001192778729 1367872167 /nfs/dbraw/zinc/87/21/67/1367872167.db2.gz PKMVWXDONSTXKT-WMZOPIPTSA-N 2 2 334.508 3.091 20 30 EGEDLP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001192778729 1367872173 /nfs/dbraw/zinc/87/21/73/1367872173.db2.gz PKMVWXDONSTXKT-WMZOPIPTSA-N 2 2 334.508 3.091 20 30 EGEDLP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001192778729 1367872176 /nfs/dbraw/zinc/87/21/76/1367872176.db2.gz PKMVWXDONSTXKT-WMZOPIPTSA-N 2 2 334.508 3.091 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001201182501 1369491317 /nfs/dbraw/zinc/49/13/17/1369491317.db2.gz HJWJDDAPNUKLRA-MJGOQNOKSA-N 2 2 346.519 3.406 20 30 EGEDLP C=CCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C12CCC2 ZINC001203659793 1370206056 /nfs/dbraw/zinc/20/60/56/1370206056.db2.gz KZRHKQBJGARWCL-QZTJIDSGSA-N 2 2 344.503 3.024 20 30 EGEDLP C=CCCC[NH2+]CC1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001205728270 1370853352 /nfs/dbraw/zinc/85/33/52/1370853352.db2.gz MUAFCFZWBAUZRG-UHFFFAOYSA-N 2 2 329.488 3.415 20 30 EGEDLP C=CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001120391621 1371558348 /nfs/dbraw/zinc/55/83/48/1371558348.db2.gz DIHPWDWVSJOUHI-IEBWSBKVSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001120391621 1371558353 /nfs/dbraw/zinc/55/83/53/1371558353.db2.gz DIHPWDWVSJOUHI-IEBWSBKVSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001120391621 1371558355 /nfs/dbraw/zinc/55/83/55/1371558355.db2.gz DIHPWDWVSJOUHI-IEBWSBKVSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001120391621 1371558359 /nfs/dbraw/zinc/55/83/59/1371558359.db2.gz DIHPWDWVSJOUHI-IEBWSBKVSA-N 2 2 344.503 3.012 20 30 EGEDLP CCCCCCC[NH2+][C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001209865597 1372217195 /nfs/dbraw/zinc/21/71/95/1372217195.db2.gz INBQWILZGXNJCB-MSOLQXFVSA-N 2 2 334.508 3.385 20 30 EGEDLP CCCCCCC[NH2+][C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001222092205 1373817021 /nfs/dbraw/zinc/81/70/21/1373817021.db2.gz LBXCQXUFGDUMFD-SFHVURJKSA-N 2 2 334.508 3.214 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001132546479 1375453525 /nfs/dbraw/zinc/45/35/25/1375453525.db2.gz MJWGIMYABNHVOU-RBUKOAKNSA-N 2 2 346.519 3.379 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001132546479 1375453530 /nfs/dbraw/zinc/45/35/30/1375453530.db2.gz MJWGIMYABNHVOU-RBUKOAKNSA-N 2 2 346.519 3.379 20 30 EGEDLP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C ZINC001133270114 1375885947 /nfs/dbraw/zinc/88/59/47/1375885947.db2.gz IFPJRIQATNVJMW-FUHWJXTLSA-N 2 2 348.535 3.305 20 30 EGEDLP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135841188 1377229466 /nfs/dbraw/zinc/22/94/66/1377229466.db2.gz XHUXYQUBKDDVGL-DLBZAZTESA-N 2 2 340.471 3.325 20 30 EGEDLP CCCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001136056786 1377316787 /nfs/dbraw/zinc/31/67/87/1377316787.db2.gz VDBBGWIGCDSNDS-DLBZAZTESA-N 2 2 336.524 3.196 20 30 EGEDLP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001153930609 1380157077 /nfs/dbraw/zinc/15/70/77/1380157077.db2.gz SYBASLMILGNXGU-MSOLQXFVSA-N 2 2 334.508 3.263 20 30 EGEDLP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001153930609 1380157078 /nfs/dbraw/zinc/15/70/78/1380157078.db2.gz SYBASLMILGNXGU-MSOLQXFVSA-N 2 2 334.508 3.263 20 30 EGEDLP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001161356399 1382381940 /nfs/dbraw/zinc/38/19/40/1382381940.db2.gz NWMVKPMWQSQXNS-ROUUACIJSA-N 2 2 344.503 3.327 20 30 EGEDLP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001161356399 1382381949 /nfs/dbraw/zinc/38/19/49/1382381949.db2.gz NWMVKPMWQSQXNS-ROUUACIJSA-N 2 2 344.503 3.327 20 30 EGEDLP CCCCCCC[NH2+]CC1(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001165374820 1383282219 /nfs/dbraw/zinc/28/22/19/1383282219.db2.gz ZGSVNBUUNVUHTJ-UHFFFAOYSA-N 2 2 334.508 3.189 20 30 EGEDLP CCCCCCC[NH2+]CC1(CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001165374820 1383282224 /nfs/dbraw/zinc/28/22/24/1383282224.db2.gz ZGSVNBUUNVUHTJ-UHFFFAOYSA-N 2 2 334.508 3.189 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001166138540 1383394559 /nfs/dbraw/zinc/39/45/59/1383394559.db2.gz OSZMCCCXIBJFII-INIZCTEOSA-N 2 2 340.471 3.179 20 30 EGEDLP N#Cc1ccc2cc[nH+]c(N3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)c2c1 ZINC001167207594 1383567244 /nfs/dbraw/zinc/56/72/44/1383567244.db2.gz CCMHGYVPUWBWBS-KNQAVFIVSA-N 2 2 340.430 3.084 20 30 EGEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001171410019 1384515027 /nfs/dbraw/zinc/51/50/27/1384515027.db2.gz RCWWICLILXBWGJ-QZTJIDSGSA-N 2 2 334.508 3.311 20 30 EGEDLP CO[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001172915562 1384877648 /nfs/dbraw/zinc/87/76/48/1384877648.db2.gz DSGDMTRJORIMDD-UXHICEINSA-N 2 2 327.472 3.070 20 30 EGEDLP CO[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001172915564 1384877732 /nfs/dbraw/zinc/87/77/32/1384877732.db2.gz DSGDMTRJORIMDD-WOJBJXKFSA-N 2 2 327.472 3.070 20 30 EGEDLP CCCCCCC[NH2+]CCCC[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001176351027 1385559635 /nfs/dbraw/zinc/55/96/35/1385559635.db2.gz OWWWKHKKKHLCGO-MRXNPFEDSA-N 2 2 336.524 3.496 20 30 EGEDLP C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001176401907 1385577240 /nfs/dbraw/zinc/57/72/40/1385577240.db2.gz ORUWOYZTQNYZLO-GOSISDBHSA-N 2 2 348.535 3.364 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)Cc1c[nH+]ccc1OC ZINC001178811656 1386313989 /nfs/dbraw/zinc/31/39/89/1386313989.db2.gz XEOBOLHQPRRQGY-QGZVFWFLSA-N 2 2 347.503 3.254 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001178863759 1386332527 /nfs/dbraw/zinc/33/25/27/1386332527.db2.gz AZNZSHHUOSVDNS-ROUUACIJSA-N 2 2 346.519 3.066 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001179776873 1386582111 /nfs/dbraw/zinc/58/21/11/1386582111.db2.gz LKKJHAPWIHXSBG-DLBZAZTESA-N 2 2 334.508 3.209 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001179776873 1386582113 /nfs/dbraw/zinc/58/21/13/1386582113.db2.gz LKKJHAPWIHXSBG-DLBZAZTESA-N 2 2 334.508 3.209 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001752542834 1440194768 /nfs/dbraw/zinc/19/47/68/1440194768.db2.gz FBVSJAJVNDYDPU-CALCHBBNSA-N 2 2 344.503 3.109 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001752542834 1440194769 /nfs/dbraw/zinc/19/47/69/1440194769.db2.gz FBVSJAJVNDYDPU-CALCHBBNSA-N 2 2 344.503 3.109 20 30 EGEDLP N#Cc1ccc(Br)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000191793981 239301680 /nfs/dbraw/zinc/30/16/80/239301680.db2.gz ISELIEBSFSAYQG-HNNXBMFYSA-N 2 2 348.288 3.238 20 30 EGEDLP N#Cc1ccc(Br)c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000191793981 239301688 /nfs/dbraw/zinc/30/16/88/239301688.db2.gz ISELIEBSFSAYQG-HNNXBMFYSA-N 2 2 348.288 3.238 20 30 EGEDLP COC(C)(C)C[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181823602 532966999 /nfs/dbraw/zinc/96/69/99/532966999.db2.gz QFHBMVXPKRNQSB-INIZCTEOSA-N 2 2 329.488 3.316 20 30 EGEDLP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(C#N)cc1 ZINC000191835296 533435197 /nfs/dbraw/zinc/43/51/97/533435197.db2.gz BOTCRRNDKUIODM-GCJKJVERSA-N 2 2 349.478 3.500 20 30 EGEDLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(C#N)cc1 ZINC000191835296 533435201 /nfs/dbraw/zinc/43/52/01/533435201.db2.gz BOTCRRNDKUIODM-GCJKJVERSA-N 2 2 349.478 3.500 20 30 EGEDLP CC[NH+]1CCC([N@H+](C)Cc2ccc(Br)cc2C#N)CC1 ZINC000336833985 154215806 /nfs/dbraw/zinc/21/58/06/154215806.db2.gz HNQZAUFTTKBTKW-UHFFFAOYSA-N 2 2 336.277 3.237 20 30 EGEDLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(Br)cc2C#N)CC1 ZINC000336833985 154215809 /nfs/dbraw/zinc/21/58/09/154215809.db2.gz HNQZAUFTTKBTKW-UHFFFAOYSA-N 2 2 336.277 3.237 20 30 EGEDLP C[C@@H](Cc1ccncc1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344118273 164107483 /nfs/dbraw/zinc/10/74/83/164107483.db2.gz YYTXVAMOMCUCEV-KRWDZBQOSA-N 2 2 334.467 3.138 20 30 EGEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]CC1([NH+]3CCSCC3)CCCC1)CC2 ZINC000565590046 316343946 /nfs/dbraw/zinc/34/39/46/316343946.db2.gz AELXLHUPOAHIEA-IBGZPJMESA-N 2 2 341.524 3.497 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841504 455113905 /nfs/dbraw/zinc/11/39/05/455113905.db2.gz HVHGKFNVSNYCMX-MRXNPFEDSA-N 2 2 347.528 3.177 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841504 455113909 /nfs/dbraw/zinc/11/39/09/455113909.db2.gz HVHGKFNVSNYCMX-MRXNPFEDSA-N 2 2 347.528 3.177 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841504 455113912 /nfs/dbraw/zinc/11/39/12/455113912.db2.gz HVHGKFNVSNYCMX-MRXNPFEDSA-N 2 2 347.528 3.177 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841504 455113916 /nfs/dbraw/zinc/11/39/16/455113916.db2.gz HVHGKFNVSNYCMX-MRXNPFEDSA-N 2 2 347.528 3.177 20 30 EGEDLP C[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)Cn1cc[nH+]c1 ZINC000172116639 455124020 /nfs/dbraw/zinc/12/40/20/455124020.db2.gz SLPVCTQWUQODTH-KRWDZBQOSA-N 2 2 348.454 3.086 20 30 EGEDLP C=CC[NH+]1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000172119952 455124614 /nfs/dbraw/zinc/12/46/14/455124614.db2.gz QJLLDJBUNDLSRT-UHFFFAOYSA-N 2 2 349.482 3.204 20 30 EGEDLP C=C(C)COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1OC ZINC000237362911 455177355 /nfs/dbraw/zinc/17/73/55/455177355.db2.gz NZZQJTVBTOQMMR-ROUUACIJSA-N 2 2 330.472 3.367 20 30 EGEDLP C=C(C)COc1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)ccc1OC ZINC000237362911 455177359 /nfs/dbraw/zinc/17/73/59/455177359.db2.gz NZZQJTVBTOQMMR-ROUUACIJSA-N 2 2 330.472 3.367 20 30 EGEDLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cn1 ZINC000237495770 455189242 /nfs/dbraw/zinc/18/92/42/455189242.db2.gz RRBAXACWYHCALW-HNNXBMFYSA-N 2 2 347.422 3.156 20 30 EGEDLP Cc1cccc([C@H](O)C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000271858634 455788895 /nfs/dbraw/zinc/78/88/95/455788895.db2.gz JWEDXRHUMOEWHH-JOCHJYFZSA-N 2 2 349.478 3.154 20 30 EGEDLP CCn1cc([C@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000294854287 455829310 /nfs/dbraw/zinc/82/93/10/455829310.db2.gz NQDZFSBPVNWQQY-INIZCTEOSA-N 2 2 337.471 3.090 20 30 EGEDLP COc1cc(C#N)ccc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348326988 456625135 /nfs/dbraw/zinc/62/51/35/456625135.db2.gz TZXYYHNIVISEDI-OYRHEFFESA-N 2 2 347.462 3.131 20 30 EGEDLP COc1cc(C#N)ccc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348326988 456625140 /nfs/dbraw/zinc/62/51/40/456625140.db2.gz TZXYYHNIVISEDI-OYRHEFFESA-N 2 2 347.462 3.131 20 30 EGEDLP COc1cc(C#N)ccc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000348326988 456625144 /nfs/dbraw/zinc/62/51/44/456625144.db2.gz TZXYYHNIVISEDI-OYRHEFFESA-N 2 2 347.462 3.131 20 30 EGEDLP COc1cc(C#N)ccc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000348326988 456625148 /nfs/dbraw/zinc/62/51/48/456625148.db2.gz TZXYYHNIVISEDI-OYRHEFFESA-N 2 2 347.462 3.131 20 30 EGEDLP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000329163216 456846596 /nfs/dbraw/zinc/84/65/96/456846596.db2.gz GCTSCTVWQAHQTM-GOSISDBHSA-N 2 2 338.455 3.253 20 30 EGEDLP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000329163216 456846600 /nfs/dbraw/zinc/84/66/00/456846600.db2.gz GCTSCTVWQAHQTM-GOSISDBHSA-N 2 2 338.455 3.253 20 30 EGEDLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000329396325 456884064 /nfs/dbraw/zinc/88/40/64/456884064.db2.gz XLMRVAULUZAOKU-CVEARBPZSA-N 2 2 332.492 3.303 20 30 EGEDLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000329396325 456884065 /nfs/dbraw/zinc/88/40/65/456884065.db2.gz XLMRVAULUZAOKU-CVEARBPZSA-N 2 2 332.492 3.303 20 30 EGEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000331184387 457142972 /nfs/dbraw/zinc/14/29/72/457142972.db2.gz NXQPEFZPLZVDKV-HOTGVXAUSA-N 2 2 349.523 3.320 20 30 EGEDLP CC(C)(C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[NH+]1CCCCC1 ZINC000375894371 458112440 /nfs/dbraw/zinc/11/24/40/458112440.db2.gz DSDCJJKGPALZDW-UHFFFAOYSA-N 2 2 340.515 3.381 20 30 EGEDLP C=CCc1cc(C[NH2+]C[C@@H]([NH3+])c2ccccc2CC)cc(OC)c1O ZINC000415044788 458327652 /nfs/dbraw/zinc/32/76/52/458327652.db2.gz BYGGLEQRNQUTSW-LJQANCHMSA-N 2 2 340.467 3.481 20 30 EGEDLP N#CCC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000594503442 459065159 /nfs/dbraw/zinc/06/51/59/459065159.db2.gz WJYKXFZWKQSVSU-UXHICEINSA-N 2 2 327.472 3.264 20 30 EGEDLP CO[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCCC1 ZINC000594993040 459208406 /nfs/dbraw/zinc/20/84/06/459208406.db2.gz CEPUQYGQZMOJTE-OAQYLSRUSA-N 2 2 341.499 3.317 20 30 EGEDLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000560536364 459367340 /nfs/dbraw/zinc/36/73/40/459367340.db2.gz CCEKDVDJBVLEEK-FQEVSTJZSA-N 2 2 340.515 3.237 20 30 EGEDLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000560536364 459367345 /nfs/dbraw/zinc/36/73/45/459367345.db2.gz CCEKDVDJBVLEEK-FQEVSTJZSA-N 2 2 340.515 3.237 20 30 EGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498820485 459606838 /nfs/dbraw/zinc/60/68/38/459606838.db2.gz YMRJMJMVEIHJDK-VQTJNVASSA-N 2 2 349.563 3.243 20 30 EGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498820485 459606842 /nfs/dbraw/zinc/60/68/42/459606842.db2.gz YMRJMJMVEIHJDK-VQTJNVASSA-N 2 2 349.563 3.243 20 30 EGEDLP COc1ccc([C@@H]([NH2+]CCc2ccc(C#N)cc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000596652444 459715842 /nfs/dbraw/zinc/71/58/42/459715842.db2.gz UMAQSJPNHBUZSC-LEWJYISDSA-N 2 2 335.451 3.192 20 30 EGEDLP CSC1(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CCC1 ZINC000593695074 459953592 /nfs/dbraw/zinc/95/35/92/459953592.db2.gz HGLOTURQXKAWAU-UHFFFAOYSA-N 2 2 329.513 3.398 20 30 EGEDLP CC(C)[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CCO1 ZINC000593693324 459954688 /nfs/dbraw/zinc/95/46/88/459954688.db2.gz UMPCBPDVKOXFFB-LEWJYISDSA-N 2 2 341.499 3.316 20 30 EGEDLP N#Cc1cccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC000602661128 460050176 /nfs/dbraw/zinc/05/01/76/460050176.db2.gz JMWOCFPOHGAKHF-NRFANRHFSA-N 2 2 332.451 3.051 20 30 EGEDLP N#Cc1cccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC000602661128 460050181 /nfs/dbraw/zinc/05/01/81/460050181.db2.gz JMWOCFPOHGAKHF-NRFANRHFSA-N 2 2 332.451 3.051 20 30 EGEDLP N#Cc1cccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC000602661128 460050184 /nfs/dbraw/zinc/05/01/84/460050184.db2.gz JMWOCFPOHGAKHF-NRFANRHFSA-N 2 2 332.451 3.051 20 30 EGEDLP N#Cc1cccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC000602661128 460050191 /nfs/dbraw/zinc/05/01/91/460050191.db2.gz JMWOCFPOHGAKHF-NRFANRHFSA-N 2 2 332.451 3.051 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000652151358 462452906 /nfs/dbraw/zinc/45/29/06/462452906.db2.gz QXSGRXQLPKIPOZ-QGZVFWFLSA-N 2 2 348.487 3.404 20 30 EGEDLP C#CCOc1ccc(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000733324514 575327820 /nfs/dbraw/zinc/32/78/20/575327820.db2.gz HEFLIXVOCNBJPG-NRFANRHFSA-N 2 2 334.463 3.453 20 30 EGEDLP C#CCOc1ccc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000733324514 575327822 /nfs/dbraw/zinc/32/78/22/575327822.db2.gz HEFLIXVOCNBJPG-NRFANRHFSA-N 2 2 334.463 3.453 20 30 EGEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCSCc2ccccc2)cc1 ZINC000790438439 1306327341 /nfs/dbraw/zinc/32/73/41/1306327341.db2.gz MXJFMNKEMBYXFU-UHFFFAOYSA-N 2 2 343.496 3.319 20 30 EGEDLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(C#N)ccc2Br)C1 ZINC000894495850 1308921574 /nfs/dbraw/zinc/92/15/74/1308921574.db2.gz LLJIPEPJAWHAIW-WMLDXEAASA-N 2 2 348.288 3.237 20 30 EGEDLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(C#N)ccc2Br)C1 ZINC000894495850 1308921580 /nfs/dbraw/zinc/92/15/80/1308921580.db2.gz LLJIPEPJAWHAIW-WMLDXEAASA-N 2 2 348.288 3.237 20 30 EGEDLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc(C#N)ccc2Br)C1 ZINC000894495850 1308921587 /nfs/dbraw/zinc/92/15/87/1308921587.db2.gz LLJIPEPJAWHAIW-WMLDXEAASA-N 2 2 348.288 3.237 20 30 EGEDLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc(C#N)ccc2Br)C1 ZINC000894495850 1308921595 /nfs/dbraw/zinc/92/15/95/1308921595.db2.gz LLJIPEPJAWHAIW-WMLDXEAASA-N 2 2 348.288 3.237 20 30 EGEDLP C=CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021615000 1318463399 /nfs/dbraw/zinc/46/33/99/1318463399.db2.gz UKVVHTUSXMVYOL-DNVCBOLYSA-N 2 2 338.455 3.066 20 30 EGEDLP C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021615000 1318463405 /nfs/dbraw/zinc/46/34/05/1318463405.db2.gz UKVVHTUSXMVYOL-DNVCBOLYSA-N 2 2 338.455 3.066 20 30 EGEDLP C=CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021615001 1318463919 /nfs/dbraw/zinc/46/39/19/1318463919.db2.gz UKVVHTUSXMVYOL-HNAYVOBHSA-N 2 2 338.455 3.066 20 30 EGEDLP C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021615001 1318463924 /nfs/dbraw/zinc/46/39/24/1318463924.db2.gz UKVVHTUSXMVYOL-HNAYVOBHSA-N 2 2 338.455 3.066 20 30 EGEDLP CCCCCCCC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817658398 1319421358 /nfs/dbraw/zinc/42/13/58/1319421358.db2.gz ALUVMSYKSXYZMU-UHFFFAOYSA-N 2 2 337.552 3.366 20 30 EGEDLP CCCCCCCC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817658398 1319421367 /nfs/dbraw/zinc/42/13/67/1319421367.db2.gz ALUVMSYKSXYZMU-UHFFFAOYSA-N 2 2 337.552 3.366 20 30 EGEDLP CN(C)C(NCc1ccccc1Cn1cc[nH+]c1)=[NH+]Cc1ccccc1 ZINC000849055761 1322060667 /nfs/dbraw/zinc/06/06/67/1322060667.db2.gz BUQNSPTWDWSZME-UHFFFAOYSA-N 2 2 347.466 3.139 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000966103402 1328183545 /nfs/dbraw/zinc/18/35/45/1328183545.db2.gz LOILNRHFMPTSTI-YJBOKZPZSA-N 2 2 340.471 3.049 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000966103402 1328183547 /nfs/dbraw/zinc/18/35/47/1328183547.db2.gz LOILNRHFMPTSTI-YJBOKZPZSA-N 2 2 340.471 3.049 20 30 EGEDLP CCC[N@H+](CCO[C@@H](C)C#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934189165 1329953337 /nfs/dbraw/zinc/95/33/37/1329953337.db2.gz VOVNOXPWLHJICS-SFHVURJKSA-N 2 2 329.488 3.292 20 30 EGEDLP CCC[N@@H+](CCO[C@@H](C)C#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934189165 1329953338 /nfs/dbraw/zinc/95/33/38/1329953338.db2.gz VOVNOXPWLHJICS-SFHVURJKSA-N 2 2 329.488 3.292 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039208257 1344920599 /nfs/dbraw/zinc/92/05/99/1344920599.db2.gz BOBAIMBJXXFKDL-MJGOQNOKSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039208257 1344920601 /nfs/dbraw/zinc/92/06/01/1344920601.db2.gz BOBAIMBJXXFKDL-MJGOQNOKSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039208257 1344920605 /nfs/dbraw/zinc/92/06/05/1344920605.db2.gz BOBAIMBJXXFKDL-MJGOQNOKSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039208257 1344920606 /nfs/dbraw/zinc/92/06/06/1344920606.db2.gz BOBAIMBJXXFKDL-MJGOQNOKSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049551793 1347904276 /nfs/dbraw/zinc/90/42/76/1347904276.db2.gz IXGURIMNMFMJGU-RBUKOAKNSA-N 2 2 338.455 3.208 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049551793 1347904278 /nfs/dbraw/zinc/90/42/78/1347904278.db2.gz IXGURIMNMFMJGU-RBUKOAKNSA-N 2 2 338.455 3.208 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001052499238 1348560378 /nfs/dbraw/zinc/56/03/78/1348560378.db2.gz RAKPCHWVZBWRMZ-INIZCTEOSA-N 2 2 326.444 3.113 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001052499238 1348560381 /nfs/dbraw/zinc/56/03/81/1348560381.db2.gz RAKPCHWVZBWRMZ-INIZCTEOSA-N 2 2 326.444 3.113 20 30 EGEDLP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC001086945965 1359267130 /nfs/dbraw/zinc/26/71/30/1359267130.db2.gz MILLCTOYDJMMOZ-ROUUACIJSA-N 2 2 344.503 3.113 20 30 EGEDLP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001089693852 1360599306 /nfs/dbraw/zinc/59/93/06/1360599306.db2.gz PVOSXVGAJXWSIU-HZPDHXFCSA-N 2 2 344.503 3.013 20 30 EGEDLP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001089693852 1360599309 /nfs/dbraw/zinc/59/93/09/1360599309.db2.gz PVOSXVGAJXWSIU-HZPDHXFCSA-N 2 2 344.503 3.013 20 30 EGEDLP C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001099252602 1363715282 /nfs/dbraw/zinc/71/52/82/1363715282.db2.gz XPFJWZHHTPPKIO-ROUUACIJSA-N 2 2 346.519 3.407 20 30 EGEDLP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001099252602 1363715285 /nfs/dbraw/zinc/71/52/85/1363715285.db2.gz XPFJWZHHTPPKIO-ROUUACIJSA-N 2 2 346.519 3.407 20 30 EGEDLP C=CCCCCC[NH2+]C1CC(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001100716803 1364233338 /nfs/dbraw/zinc/23/33/38/1364233338.db2.gz RFYBLPXMXLOJOR-AOCRQIFASA-N 2 2 332.492 3.065 20 30 EGEDLP C=C(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001101546706 1364610929 /nfs/dbraw/zinc/61/09/29/1364610929.db2.gz NKUVSKJXHGDZTQ-UHFFFAOYSA-N 2 2 346.519 3.163 20 30 EGEDLP C=C(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001101546706 1364610933 /nfs/dbraw/zinc/61/09/33/1364610933.db2.gz NKUVSKJXHGDZTQ-UHFFFAOYSA-N 2 2 346.519 3.163 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CC(C)(C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001101579716 1364632646 /nfs/dbraw/zinc/63/26/46/1364632646.db2.gz SFPRTNLAJJJEDM-MRXNPFEDSA-N 2 2 346.519 3.161 20 30 EGEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001106291535 1366644487 /nfs/dbraw/zinc/64/44/87/1366644487.db2.gz BUYWQDCPYNGLSA-QRVBRYPASA-N 2 2 346.519 3.121 20 30 EGEDLP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192294052 1367741802 /nfs/dbraw/zinc/74/18/02/1367741802.db2.gz LEPLAUGKLKOQJI-SJORKVTESA-N 2 2 346.519 3.333 20 30 EGEDLP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192294052 1367741810 /nfs/dbraw/zinc/74/18/10/1367741810.db2.gz LEPLAUGKLKOQJI-SJORKVTESA-N 2 2 346.519 3.333 20 30 EGEDLP CCCCCCC[NH2+]C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001201230740 1369500541 /nfs/dbraw/zinc/50/05/41/1369500541.db2.gz UXYHWRBQSGPLMB-UHFFFAOYSA-N 2 2 348.535 3.478 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C12CCC2 ZINC001203015296 1369953896 /nfs/dbraw/zinc/95/38/96/1369953896.db2.gz WFTKQJODOIPOON-QZTJIDSGSA-N 2 2 346.519 3.330 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C12CCC2 ZINC001203015296 1369953899 /nfs/dbraw/zinc/95/38/99/1369953899.db2.gz WFTKQJODOIPOON-QZTJIDSGSA-N 2 2 346.519 3.330 20 30 EGEDLP C=CCC[NH2+]C1(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CCCCC1 ZINC001115583666 1370585413 /nfs/dbraw/zinc/58/54/13/1370585413.db2.gz SJCKVLNKYOIPJH-SFHVURJKSA-N 2 2 346.519 3.455 20 30 EGEDLP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001208386540 1371746974 /nfs/dbraw/zinc/74/69/74/1371746974.db2.gz DNKFZSHUBAMZMH-ROUUACIJSA-N 2 2 332.492 3.017 20 30 EGEDLP C=CCCCCCC[NH+]1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001209436391 1372106236 /nfs/dbraw/zinc/10/62/36/1372106236.db2.gz VNAUMNOSRLVTDV-WOJBJXKFSA-N 2 2 330.520 3.310 20 30 EGEDLP C=CCCCCCC[NH+]1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001209436391 1372106237 /nfs/dbraw/zinc/10/62/37/1372106237.db2.gz VNAUMNOSRLVTDV-WOJBJXKFSA-N 2 2 330.520 3.310 20 30 EGEDLP C=CCCCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001209436391 1372106239 /nfs/dbraw/zinc/10/62/39/1372106239.db2.gz VNAUMNOSRLVTDV-WOJBJXKFSA-N 2 2 330.520 3.310 20 30 EGEDLP C=CCCCCCC[N@H+]1C[C@@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001209436391 1372106240 /nfs/dbraw/zinc/10/62/40/1372106240.db2.gz VNAUMNOSRLVTDV-WOJBJXKFSA-N 2 2 330.520 3.310 20 30 EGEDLP C=CCCCCCC[NH+]1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001209437856 1372106545 /nfs/dbraw/zinc/10/65/45/1372106545.db2.gz WUWAZIWLXJVROB-UHFFFAOYSA-N 2 2 333.524 3.461 20 30 EGEDLP C=CCCCCCC[NH+]1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001209437856 1372106547 /nfs/dbraw/zinc/10/65/47/1372106547.db2.gz WUWAZIWLXJVROB-UHFFFAOYSA-N 2 2 333.524 3.461 20 30 EGEDLP C=CCCCCCC[N@@H+]1CCCn2c(C[NH+](C)C(C)C)nnc2C1 ZINC001209437856 1372106549 /nfs/dbraw/zinc/10/65/49/1372106549.db2.gz WUWAZIWLXJVROB-UHFFFAOYSA-N 2 2 333.524 3.461 20 30 EGEDLP C=CCCCCCC[N@H+]1CCCn2c(C[NH+](C)C(C)C)nnc2C1 ZINC001209437856 1372106553 /nfs/dbraw/zinc/10/65/53/1372106553.db2.gz WUWAZIWLXJVROB-UHFFFAOYSA-N 2 2 333.524 3.461 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001214950477 1373147308 /nfs/dbraw/zinc/14/73/08/1373147308.db2.gz SLRCZQWLJBXJIS-SJLPKXTDSA-N 2 2 347.503 3.040 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)CC[C@H]1C ZINC001132195847 1375200863 /nfs/dbraw/zinc/20/08/63/1375200863.db2.gz WJFGPWAXJCGUFF-MSOLQXFVSA-N 2 2 346.519 3.068 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)CC[C@H]1C ZINC001132195847 1375200878 /nfs/dbraw/zinc/20/08/78/1375200878.db2.gz WJFGPWAXJCGUFF-MSOLQXFVSA-N 2 2 346.519 3.068 20 30 EGEDLP C=CCCC[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001132919802 1375645038 /nfs/dbraw/zinc/64/50/38/1375645038.db2.gz NFKZRRQDYYCNSH-WBVHZDCISA-N 2 2 340.471 3.217 20 30 EGEDLP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001134369541 1376497976 /nfs/dbraw/zinc/49/79/76/1376497976.db2.gz NTRISZSYDPKZPO-LSDHHAIUSA-N 2 2 328.460 3.095 20 30 EGEDLP C[N@@H+](Cc1cc(C#N)ccc1O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001232678888 1376499926 /nfs/dbraw/zinc/49/99/26/1376499926.db2.gz SYVWHCQOLAKFQP-IBGZPJMESA-N 2 2 335.451 3.218 20 30 EGEDLP C[N@H+](Cc1cc(C#N)ccc1O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001232678888 1376499927 /nfs/dbraw/zinc/49/99/27/1376499927.db2.gz SYVWHCQOLAKFQP-IBGZPJMESA-N 2 2 335.451 3.218 20 30 EGEDLP C[NH+](Cc1cc(C#N)ccc1O)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001232678888 1376499928 /nfs/dbraw/zinc/49/99/28/1376499928.db2.gz SYVWHCQOLAKFQP-IBGZPJMESA-N 2 2 335.451 3.218 20 30 EGEDLP C[NH+](Cc1cc(C#N)ccc1O)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001232678888 1376499929 /nfs/dbraw/zinc/49/99/29/1376499929.db2.gz SYVWHCQOLAKFQP-IBGZPJMESA-N 2 2 335.451 3.218 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001189261529 1388499299 /nfs/dbraw/zinc/49/92/99/1388499299.db2.gz UORMGKYBLLEUDV-GBESFXJTSA-N 2 2 346.519 3.337 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001189261529 1388499302 /nfs/dbraw/zinc/49/93/02/1388499302.db2.gz UORMGKYBLLEUDV-GBESFXJTSA-N 2 2 346.519 3.337 20 30 EGEDLP C=C(Cl)C[NH2+]CC1(NC(=O)c2ccn3c(C)c[nH+]c3c2)CCCC1 ZINC001269545128 1377558081 /nfs/dbraw/zinc/55/80/81/1377558081.db2.gz DYKNUEWIJDPHEV-UHFFFAOYSA-N 2 2 346.862 3.027 20 30 EGEDLP C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001153891116 1380149865 /nfs/dbraw/zinc/14/98/65/1380149865.db2.gz MDFPTMLCEGFLEF-BRWVUGGUSA-N 2 2 332.492 3.086 20 30 EGEDLP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001153891116 1380149866 /nfs/dbraw/zinc/14/98/66/1380149866.db2.gz MDFPTMLCEGFLEF-BRWVUGGUSA-N 2 2 332.492 3.086 20 30 EGEDLP C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001153891116 1380149867 /nfs/dbraw/zinc/14/98/67/1380149867.db2.gz MDFPTMLCEGFLEF-BRWVUGGUSA-N 2 2 332.492 3.086 20 30 EGEDLP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001153891116 1380149868 /nfs/dbraw/zinc/14/98/68/1380149868.db2.gz MDFPTMLCEGFLEF-BRWVUGGUSA-N 2 2 332.492 3.086 20 30 EGEDLP N#Cc1c[nH]c2cc[nH+]c(N(Cc3cccnc3)[C@H]3CC[C@H]([NH3+])CC3)c12 ZINC001158168759 1381147097 /nfs/dbraw/zinc/14/70/97/1381147097.db2.gz ZTQZCNCKCYFVAV-QAQDUYKDSA-N 2 2 346.438 3.106 20 30 EGEDLP C=C(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001158534217 1381285159 /nfs/dbraw/zinc/28/51/59/1381285159.db2.gz RGKDXSWVSIBGDM-ZWKOTPCHSA-N 2 2 332.492 3.113 20 30 EGEDLP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001158534217 1381285165 /nfs/dbraw/zinc/28/51/65/1381285165.db2.gz RGKDXSWVSIBGDM-ZWKOTPCHSA-N 2 2 332.492 3.113 20 30 EGEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1[nH+]ccc2c(C)cccc12 ZINC001159925398 1381939381 /nfs/dbraw/zinc/93/93/81/1381939381.db2.gz JXBQPNUWKYTZQS-KRWDZBQOSA-N 2 2 327.428 3.182 20 30 EGEDLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171224682 1384473139 /nfs/dbraw/zinc/47/31/39/1384473139.db2.gz UEMHMUQFMNUJJY-LAUBAEHRSA-N 2 2 341.499 3.064 20 30 EGEDLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171224682 1384473142 /nfs/dbraw/zinc/47/31/42/1384473142.db2.gz UEMHMUQFMNUJJY-LAUBAEHRSA-N 2 2 341.499 3.064 20 30 EGEDLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC001173592601 1384982776 /nfs/dbraw/zinc/98/27/76/1384982776.db2.gz VNDVSVXQYUQYHY-JWFWCLOMSA-N 2 2 341.499 3.338 20 30 EGEDLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC001173592601 1384982779 /nfs/dbraw/zinc/98/27/79/1384982779.db2.gz VNDVSVXQYUQYHY-JWFWCLOMSA-N 2 2 341.499 3.338 20 30 EGEDLP C=CCCC[NH2+]CCCCCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001178484356 1386231960 /nfs/dbraw/zinc/23/19/60/1386231960.db2.gz TYCNRDINKLBJEI-UHFFFAOYSA-N 2 2 342.487 3.489 20 30 EGEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H]1C ZINC001178956916 1386359546 /nfs/dbraw/zinc/35/95/46/1386359546.db2.gz DRXIOOFCIYPKSA-OKZBNKHCSA-N 2 2 332.492 3.016 20 30 EGEDLP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H]1C ZINC001179516664 1386503971 /nfs/dbraw/zinc/50/39/71/1386503971.db2.gz FQYNMYIKWXUEBK-BBWFWOEESA-N 2 2 344.503 3.155 20 30 EGEDLP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001181820261 1387060240 /nfs/dbraw/zinc/06/02/40/1387060240.db2.gz LJNWSOIEDJEPQH-QWFCFKBJSA-N 2 2 346.519 3.121 20 30 EGEDLP C=C(C)C[NH2+]C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCCCC1 ZINC001753746725 1440481204 /nfs/dbraw/zinc/48/12/04/1440481204.db2.gz BALLEFFWZBZSNK-LJQANCHMSA-N 2 2 340.471 3.407 20 30 EGEDLP C=C(C)C[NH2+]C[C@@H](NC(=O)c1cccc2[nH+]ccn21)C1CCCCC1 ZINC001753746807 1440481296 /nfs/dbraw/zinc/48/12/96/1440481296.db2.gz CUAVTWIBPTUQKF-QGZVFWFLSA-N 2 2 340.471 3.179 20 30 EGEDLP C=CCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001753796704 1440489876 /nfs/dbraw/zinc/48/98/76/1440489876.db2.gz MWPOFVJDAWLJHP-ROUUACIJSA-N 2 2 346.519 3.110 20 30 EGEDLP C=CCCC[NH2+]C[C@@H](NC(=O)c1cccc2[nH+]ccn21)C1CCCC1 ZINC001754650424 1440651734 /nfs/dbraw/zinc/65/17/34/1440651734.db2.gz LOBBPHASXFGHFL-QGZVFWFLSA-N 2 2 340.471 3.179 20 30 EGEDLP C=C(C)CC[NH2+]C1(CC)CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001755070439 1440746382 /nfs/dbraw/zinc/74/63/82/1440746382.db2.gz GRMKNGNGAOBGMA-UHFFFAOYSA-N 2 2 340.471 3.275 20 30 EGEDLP CO[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000181551697 234227256 /nfs/dbraw/zinc/22/72/56/234227256.db2.gz FMFAXWREUYMLPW-JOCHJYFZSA-N 2 2 349.478 3.500 20 30 EGEDLP COCC[N@H+](C)CC[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccccc1 ZINC000348848524 156261671 /nfs/dbraw/zinc/26/16/71/156261671.db2.gz MQMQKJYDSHBRGR-NRFANRHFSA-N 2 2 337.467 3.357 20 30 EGEDLP COCC[N@@H+](C)CC[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccccc1 ZINC000348848524 156261673 /nfs/dbraw/zinc/26/16/73/156261673.db2.gz MQMQKJYDSHBRGR-NRFANRHFSA-N 2 2 337.467 3.357 20 30 EGEDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000358136810 156710371 /nfs/dbraw/zinc/71/03/71/156710371.db2.gz GBBXEZVIQXUMFI-VRQFRERNSA-N 2 2 339.483 3.321 20 30 EGEDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000358136810 156710372 /nfs/dbraw/zinc/71/03/72/156710372.db2.gz GBBXEZVIQXUMFI-VRQFRERNSA-N 2 2 339.483 3.321 20 30 EGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cncc(F)c1 ZINC000359243285 167104566 /nfs/dbraw/zinc/10/45/66/167104566.db2.gz QKIAGUOFXFIFPD-HNNXBMFYSA-N 2 2 338.430 3.408 20 30 EGEDLP CSc1ccc([C@@H](CNc2cc(C)[nH+]cc2C#N)[NH+](C)C)cc1 ZINC000425265407 270049368 /nfs/dbraw/zinc/04/93/68/270049368.db2.gz DHXSVPJMEVTLNJ-GOSISDBHSA-N 2 2 326.469 3.120 20 30 EGEDLP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ccc(C#N)o3)cc2)C[C@H](C)O1 ZINC000174257371 267235007 /nfs/dbraw/zinc/23/50/07/267235007.db2.gz FYFDDSJXZRLLBR-HOTGVXAUSA-N 2 2 339.439 3.050 20 30 EGEDLP C[C@](O)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000271809695 267256619 /nfs/dbraw/zinc/25/66/19/267256619.db2.gz ALMFGFDJWHHFPY-QFIPXVFZSA-N 2 2 349.478 3.020 20 30 EGEDLP CC[C@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)c1ccc(C#N)cc1 ZINC000576427706 324613195 /nfs/dbraw/zinc/61/31/95/324613195.db2.gz LKRRCNGPRXUATK-IBGZPJMESA-N 2 2 329.488 3.488 20 30 EGEDLP CC[C@H]1CCCC[N@@H+]1CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000579017158 325051035 /nfs/dbraw/zinc/05/10/35/325051035.db2.gz KKZXQALFZKHTJX-FQEVSTJZSA-N 2 2 340.515 3.381 20 30 EGEDLP CC[C@H]1CCCC[N@H+]1CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000579017158 325051039 /nfs/dbraw/zinc/05/10/39/325051039.db2.gz KKZXQALFZKHTJX-FQEVSTJZSA-N 2 2 340.515 3.381 20 30 EGEDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000088715191 454117078 /nfs/dbraw/zinc/11/70/78/454117078.db2.gz IFURYTILPOQCQK-UWJYYQICSA-N 2 2 335.451 3.199 20 30 EGEDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000088715191 454117081 /nfs/dbraw/zinc/11/70/81/454117081.db2.gz IFURYTILPOQCQK-UWJYYQICSA-N 2 2 335.451 3.199 20 30 EGEDLP N#Cc1ccc(C[N@@H+]2CCCN(c3[nH]c4ccccc4[nH+]3)CC2)cc1 ZINC000073260136 454413869 /nfs/dbraw/zinc/41/38/69/454413869.db2.gz OPXZGJFTHFVJOP-UHFFFAOYSA-N 2 2 331.423 3.147 20 30 EGEDLP N#Cc1ccc(C[N@H+]2CCCN(c3[nH]c4ccccc4[nH+]3)CC2)cc1 ZINC000073260136 454413875 /nfs/dbraw/zinc/41/38/75/454413875.db2.gz OPXZGJFTHFVJOP-UHFFFAOYSA-N 2 2 331.423 3.147 20 30 EGEDLP Cc1noc(C)c1CO[NH+]=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000101540832 454472919 /nfs/dbraw/zinc/47/29/19/454472919.db2.gz OFUQSNVUEOKJKQ-UHFFFAOYSA-N 2 2 342.443 3.114 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cnc3cc(C)nn3c2C)CC1 ZINC000093405893 454712526 /nfs/dbraw/zinc/71/25/26/454712526.db2.gz RSJRMQXLMKZPHQ-OAHLLOKOSA-N 2 2 327.476 3.037 20 30 EGEDLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000166374829 454911113 /nfs/dbraw/zinc/91/11/13/454911113.db2.gz AGCQOPDXWDOPHZ-FQEVSTJZSA-N 2 2 335.451 3.321 20 30 EGEDLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000166374829 454911116 /nfs/dbraw/zinc/91/11/16/454911116.db2.gz AGCQOPDXWDOPHZ-FQEVSTJZSA-N 2 2 335.451 3.321 20 30 EGEDLP C[C@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C[N@@H+]1C1CC1 ZINC000151059763 454931770 /nfs/dbraw/zinc/93/17/70/454931770.db2.gz PFMIZBAXVCHCNA-LPHOPBHVSA-N 2 2 349.482 3.179 20 30 EGEDLP C[C@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C[N@H+]1C1CC1 ZINC000151059763 454931772 /nfs/dbraw/zinc/93/17/72/454931772.db2.gz PFMIZBAXVCHCNA-LPHOPBHVSA-N 2 2 349.482 3.179 20 30 EGEDLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(C#N)cc3Br)C2)C1 ZINC000292975305 455768907 /nfs/dbraw/zinc/76/89/07/455768907.db2.gz MRBFOMLIFOHHSH-QGZVFWFLSA-N 2 2 348.288 3.238 20 30 EGEDLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(C#N)cc3Br)C2)C1 ZINC000292975305 455768911 /nfs/dbraw/zinc/76/89/11/455768911.db2.gz MRBFOMLIFOHHSH-QGZVFWFLSA-N 2 2 348.288 3.238 20 30 EGEDLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(C#N)cc3Br)C2)C1 ZINC000292975305 455768913 /nfs/dbraw/zinc/76/89/13/455768913.db2.gz MRBFOMLIFOHHSH-QGZVFWFLSA-N 2 2 348.288 3.238 20 30 EGEDLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(C#N)cc3Br)C2)C1 ZINC000292975305 455768914 /nfs/dbraw/zinc/76/89/14/455768914.db2.gz MRBFOMLIFOHHSH-QGZVFWFLSA-N 2 2 348.288 3.238 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2C)CC1 ZINC000286052869 455968612 /nfs/dbraw/zinc/96/86/12/455968612.db2.gz LAZGJMUKKJWHOC-HNNXBMFYSA-N 2 2 332.488 3.183 20 30 EGEDLP NC(=[NH+]OCc1cncc(F)c1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000281201442 456163025 /nfs/dbraw/zinc/16/30/25/456163025.db2.gz SAZJZSNFYBAITH-UHFFFAOYSA-N 2 2 342.418 3.044 20 30 EGEDLP [NH2+]=C(NCc1ccccc1-n1cc[nH+]c1)Nc1ccc2c(c1)CCC2 ZINC000303902702 456494350 /nfs/dbraw/zinc/49/43/50/456494350.db2.gz YAEUXFOQUYTCGY-UHFFFAOYSA-N 2 2 331.423 3.288 20 30 EGEDLP O=C(NCc1cn2c([nH+]1)CCCC2)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000330092148 456983695 /nfs/dbraw/zinc/98/36/95/456983695.db2.gz YJNFZBYXHCNNDS-OAHLLOKOSA-N 2 2 330.476 3.331 20 30 EGEDLP O=C(NCc1cn2c([nH+]1)CCCC2)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000330092148 456983699 /nfs/dbraw/zinc/98/36/99/456983699.db2.gz YJNFZBYXHCNNDS-OAHLLOKOSA-N 2 2 330.476 3.331 20 30 EGEDLP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000361465154 457740501 /nfs/dbraw/zinc/74/05/01/457740501.db2.gz UQCCJIPJFPOLRV-IHPCNDPISA-N 2 2 329.488 3.368 20 30 EGEDLP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000361465154 457740503 /nfs/dbraw/zinc/74/05/03/457740503.db2.gz UQCCJIPJFPOLRV-IHPCNDPISA-N 2 2 329.488 3.368 20 30 EGEDLP CC1(C)C[N@@H+](C2(C[NH2+][C@@H]3CCC[C@@H](C#N)C3)CCCCC2)CCO1 ZINC000447535661 458306423 /nfs/dbraw/zinc/30/64/23/458306423.db2.gz HQDCQAHEPLTMKD-QZTJIDSGSA-N 2 2 333.520 3.472 20 30 EGEDLP CC1(C)C[N@H+](C2(C[NH2+][C@@H]3CCC[C@@H](C#N)C3)CCCCC2)CCO1 ZINC000447535661 458306427 /nfs/dbraw/zinc/30/64/27/458306427.db2.gz HQDCQAHEPLTMKD-QZTJIDSGSA-N 2 2 333.520 3.472 20 30 EGEDLP N#Cc1cccc(C2([NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)c1 ZINC000420953999 458406325 /nfs/dbraw/zinc/40/63/25/458406325.db2.gz VOWQXIDIWYKCKH-UHFFFAOYSA-N 2 2 347.462 3.169 20 30 EGEDLP CC1(C)C[C@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000453436788 458528335 /nfs/dbraw/zinc/52/83/35/458528335.db2.gz UYOSDRSRCTVHSC-LJQANCHMSA-N 2 2 341.499 3.317 20 30 EGEDLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1ccc(C#N)cn1 ZINC000577622320 459063003 /nfs/dbraw/zinc/06/30/03/459063003.db2.gz MRULREWORUUEPW-IAGOWNOFSA-N 2 2 334.467 3.199 20 30 EGEDLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@H](C#N)CCC#N)C2)s1 ZINC000578992295 459241138 /nfs/dbraw/zinc/24/11/38/459241138.db2.gz OGSKBKLTXQVLON-IRXDYDNUSA-N 2 2 330.501 3.254 20 30 EGEDLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@H](C#N)CCC#N)C2)s1 ZINC000578992295 459241142 /nfs/dbraw/zinc/24/11/42/459241142.db2.gz OGSKBKLTXQVLON-IRXDYDNUSA-N 2 2 330.501 3.254 20 30 EGEDLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@H](C#N)CCC#N)C2)s1 ZINC000578992295 459241146 /nfs/dbraw/zinc/24/11/46/459241146.db2.gz OGSKBKLTXQVLON-IRXDYDNUSA-N 2 2 330.501 3.254 20 30 EGEDLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@H](C#N)CCC#N)C2)s1 ZINC000578992295 459241150 /nfs/dbraw/zinc/24/11/50/459241150.db2.gz OGSKBKLTXQVLON-IRXDYDNUSA-N 2 2 330.501 3.254 20 30 EGEDLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@H](C#N)CCC#N)C2)s1 ZINC000578992281 459241702 /nfs/dbraw/zinc/24/17/02/459241702.db2.gz OGSKBKLTXQVLON-DLBZAZTESA-N 2 2 330.501 3.254 20 30 EGEDLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@H](C#N)CCC#N)C2)s1 ZINC000578992281 459241707 /nfs/dbraw/zinc/24/17/07/459241707.db2.gz OGSKBKLTXQVLON-DLBZAZTESA-N 2 2 330.501 3.254 20 30 EGEDLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H](C#N)CCC#N)C2)s1 ZINC000578992281 459241712 /nfs/dbraw/zinc/24/17/12/459241712.db2.gz OGSKBKLTXQVLON-DLBZAZTESA-N 2 2 330.501 3.254 20 30 EGEDLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H](C#N)CCC#N)C2)s1 ZINC000578992281 459241716 /nfs/dbraw/zinc/24/17/16/459241716.db2.gz OGSKBKLTXQVLON-DLBZAZTESA-N 2 2 330.501 3.254 20 30 EGEDLP CO[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593693360 459954771 /nfs/dbraw/zinc/95/47/71/459954771.db2.gz VWSFBCGHAGFRQM-VQTJNVASSA-N 2 2 327.472 3.070 20 30 EGEDLP Cc1[nH+]c2ccccc2n1C1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598609685 459962131 /nfs/dbraw/zinc/96/21/31/459962131.db2.gz CTLVQEIHANWOSZ-QGZVFWFLSA-N 2 2 340.471 3.282 20 30 EGEDLP Cc1cccc(N2CC[NH+](CCC[NH2+]C[C@H](C)CCC#N)CC2)c1 ZINC000602506676 459972567 /nfs/dbraw/zinc/97/25/67/459972567.db2.gz KPLGISUOPOZBQR-LJQANCHMSA-N 2 2 328.504 3.037 20 30 EGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000602511201 459976623 /nfs/dbraw/zinc/97/66/23/459976623.db2.gz NDEOLLNUYBDCSA-QGZVFWFLSA-N 2 2 338.455 3.120 20 30 EGEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000618900695 460213807 /nfs/dbraw/zinc/21/38/07/460213807.db2.gz VYGOFIHDVDEMGC-CQSZACIVSA-N 2 2 345.244 3.044 20 30 EGEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000618900695 460213814 /nfs/dbraw/zinc/21/38/14/460213814.db2.gz VYGOFIHDVDEMGC-CQSZACIVSA-N 2 2 345.244 3.044 20 30 EGEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(Br)c1 ZINC000611500788 460378340 /nfs/dbraw/zinc/37/83/40/460378340.db2.gz KRZCTPDSRFFGMQ-HNNXBMFYSA-N 2 2 345.244 3.354 20 30 EGEDLP N#Cc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(Br)c1 ZINC000611500788 460378343 /nfs/dbraw/zinc/37/83/43/460378343.db2.gz KRZCTPDSRFFGMQ-HNNXBMFYSA-N 2 2 345.244 3.354 20 30 EGEDLP CC(C)OCCCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000180452106 527928726 /nfs/dbraw/zinc/92/87/26/527928726.db2.gz HYUDZRFDEZIPTJ-UHFFFAOYSA-N 2 2 329.488 3.317 20 30 EGEDLP CCc1ccc(NC(=[NH2+])NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000104155331 1293018869 /nfs/dbraw/zinc/01/88/69/1293018869.db2.gz ISGLPUOXMMPCDY-GOSISDBHSA-N 2 2 328.435 3.418 20 30 EGEDLP CCC(CC)[C@H](CNC(=[NH2+])Nc1ccc(C)c(C)c1)[NH+]1CCOCC1 ZINC000303791326 1296857760 /nfs/dbraw/zinc/85/77/60/1296857760.db2.gz XIVXFLPLSFQCIW-IBGZPJMESA-N 2 2 346.519 3.167 20 30 EGEDLP CN(C)C(NC[C@H](c1ccc(F)cc1)[NH+](C)C)=[NH+]Cc1ccccc1 ZINC000303871160 1296862500 /nfs/dbraw/zinc/86/25/00/1296862500.db2.gz BNECEKREGGZLHY-LJQANCHMSA-N 2 2 342.462 3.136 20 30 EGEDLP Cc1ccc(NC(=[NH2+])NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc1C ZINC000303892665 1296872110 /nfs/dbraw/zinc/87/21/10/1296872110.db2.gz NWAGPSHBHZGCDD-GOSISDBHSA-N 2 2 328.435 3.472 20 30 EGEDLP CC[NH+](CC)C[C@H]1CC[N@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878149092 1299779020 /nfs/dbraw/zinc/77/90/20/1299779020.db2.gz SJOHMKOORKHWKR-CTNGQTDRSA-N 2 2 341.499 3.091 20 30 EGEDLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878149092 1299779025 /nfs/dbraw/zinc/77/90/25/1299779025.db2.gz SJOHMKOORKHWKR-CTNGQTDRSA-N 2 2 341.499 3.091 20 30 EGEDLP C[C@@H]1CC[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000759160358 1301029329 /nfs/dbraw/zinc/02/93/29/1301029329.db2.gz TYSYQEDWBZDULN-OXQOHEQNSA-N 2 2 346.438 3.159 20 30 EGEDLP C[C@@H]1CC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000759160358 1301029342 /nfs/dbraw/zinc/02/93/42/1301029342.db2.gz TYSYQEDWBZDULN-OXQOHEQNSA-N 2 2 346.438 3.159 20 30 EGEDLP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000960279683 1318442005 /nfs/dbraw/zinc/44/20/05/1318442005.db2.gz WXORDDYNXRAEJU-UYAOXDASSA-N 2 2 346.434 3.124 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000813327041 1318533662 /nfs/dbraw/zinc/53/36/62/1318533662.db2.gz YOSPZKDUVIEXIU-RXVVDRJESA-N 2 2 327.516 3.280 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000813327044 1318534034 /nfs/dbraw/zinc/53/40/34/1318534034.db2.gz YOSPZKDUVIEXIU-WIYYLYMNSA-N 2 2 327.516 3.280 20 30 EGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(OC(=O)CC)c(OCC)c2)CC1 ZINC000840893063 1321171805 /nfs/dbraw/zinc/17/18/05/1321171805.db2.gz CKICOPRLORXAPD-UHFFFAOYSA-N 2 2 346.471 3.141 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000963314245 1325097547 /nfs/dbraw/zinc/09/75/47/1325097547.db2.gz KAFLLRHBJWWFPT-MJGOQNOKSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000963314245 1325097553 /nfs/dbraw/zinc/09/75/53/1325097553.db2.gz KAFLLRHBJWWFPT-MJGOQNOKSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000963314245 1325097559 /nfs/dbraw/zinc/09/75/59/1325097559.db2.gz KAFLLRHBJWWFPT-MJGOQNOKSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000963314245 1325097562 /nfs/dbraw/zinc/09/75/62/1325097562.db2.gz KAFLLRHBJWWFPT-MJGOQNOKSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3c(C)cc(C)[nH+]c3C)CC[C@@H]2C1 ZINC000946687957 1332877661 /nfs/dbraw/zinc/87/76/61/1332877661.db2.gz CWBIYVKAKATRFN-KDURUIRLSA-N 2 2 341.499 3.367 20 30 EGEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)c3c(C)cc(C)[nH+]c3C)CC[C@@H]2C1 ZINC000946687957 1332877664 /nfs/dbraw/zinc/87/76/64/1332877664.db2.gz CWBIYVKAKATRFN-KDURUIRLSA-N 2 2 341.499 3.367 20 30 EGEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000947572890 1333176895 /nfs/dbraw/zinc/17/68/95/1333176895.db2.gz VFRXCYADNJWDRB-SJLPKXTDSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000947572890 1333176896 /nfs/dbraw/zinc/17/68/96/1333176896.db2.gz VFRXCYADNJWDRB-SJLPKXTDSA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948616106 1333597383 /nfs/dbraw/zinc/59/73/83/1333597383.db2.gz FPOLSFIXMVXVLE-QGZVFWFLSA-N 2 2 340.471 3.227 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948616106 1333597385 /nfs/dbraw/zinc/59/73/85/1333597385.db2.gz FPOLSFIXMVXVLE-QGZVFWFLSA-N 2 2 340.471 3.227 20 30 EGEDLP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001016742237 1338708975 /nfs/dbraw/zinc/70/89/75/1338708975.db2.gz JBCXQJJJJOKPIE-KRWDZBQOSA-N 2 2 327.472 3.167 20 30 EGEDLP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034207880 1342318114 /nfs/dbraw/zinc/31/81/14/1342318114.db2.gz SXULMLYWNCMWRV-GOSISDBHSA-N 2 2 340.471 3.193 20 30 EGEDLP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034207880 1342318118 /nfs/dbraw/zinc/31/81/18/1342318118.db2.gz SXULMLYWNCMWRV-GOSISDBHSA-N 2 2 340.471 3.193 20 30 EGEDLP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034467661 1342522938 /nfs/dbraw/zinc/52/29/38/1342522938.db2.gz MSWIPVOVKVXICQ-GOSISDBHSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034467661 1342522941 /nfs/dbraw/zinc/52/29/41/1342522941.db2.gz MSWIPVOVKVXICQ-GOSISDBHSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1CC ZINC001037885916 1344160857 /nfs/dbraw/zinc/16/08/57/1344160857.db2.gz VGVUCYFARIQSRC-ZFWWWQNUSA-N 2 2 346.862 3.146 20 30 EGEDLP C=CCC[N@H+]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC[C@@H]1C ZINC001071954398 1355040294 /nfs/dbraw/zinc/04/02/94/1355040294.db2.gz OHSZWHIEVBPLRF-WMZOPIPTSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC[C@@H]1C ZINC001071954398 1355040297 /nfs/dbraw/zinc/04/02/97/1355040297.db2.gz OHSZWHIEVBPLRF-WMZOPIPTSA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001099250764 1363712992 /nfs/dbraw/zinc/71/29/92/1363712992.db2.gz BDPXTBFOLXCUCJ-QZTJIDSGSA-N 2 2 346.519 3.407 20 30 EGEDLP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001099250764 1363712995 /nfs/dbraw/zinc/71/29/95/1363712995.db2.gz BDPXTBFOLXCUCJ-QZTJIDSGSA-N 2 2 346.519 3.407 20 30 EGEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001088407633 1359878945 /nfs/dbraw/zinc/87/89/45/1359878945.db2.gz AJNRANYOARVCCQ-GOSISDBHSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001089413713 1360408964 /nfs/dbraw/zinc/40/89/64/1360408964.db2.gz YWOOVQPMVCJDPH-GVDBMIGSSA-N 2 2 344.503 3.086 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001089413713 1360408965 /nfs/dbraw/zinc/40/89/65/1360408965.db2.gz YWOOVQPMVCJDPH-GVDBMIGSSA-N 2 2 344.503 3.086 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001089413713 1360408967 /nfs/dbraw/zinc/40/89/67/1360408967.db2.gz YWOOVQPMVCJDPH-GVDBMIGSSA-N 2 2 344.503 3.086 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001089413713 1360408968 /nfs/dbraw/zinc/40/89/68/1360408968.db2.gz YWOOVQPMVCJDPH-GVDBMIGSSA-N 2 2 344.503 3.086 20 30 EGEDLP CCCCCCC[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001184905546 1387560088 /nfs/dbraw/zinc/56/00/88/1387560088.db2.gz WBDDBBMWXQHLFW-RTBURBONSA-N 2 2 348.535 3.318 20 30 EGEDLP C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001099264175 1363722140 /nfs/dbraw/zinc/72/21/40/1363722140.db2.gz OTGSNVUJLUYRIL-SJLPKXTDSA-N 2 2 346.519 3.161 20 30 EGEDLP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001099264175 1363722141 /nfs/dbraw/zinc/72/21/41/1363722141.db2.gz OTGSNVUJLUYRIL-SJLPKXTDSA-N 2 2 346.519 3.161 20 30 EGEDLP C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001099264175 1363722144 /nfs/dbraw/zinc/72/21/44/1363722144.db2.gz OTGSNVUJLUYRIL-SJLPKXTDSA-N 2 2 346.519 3.161 20 30 EGEDLP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001099264175 1363722146 /nfs/dbraw/zinc/72/21/46/1363722146.db2.gz OTGSNVUJLUYRIL-SJLPKXTDSA-N 2 2 346.519 3.161 20 30 EGEDLP CCCCCCC[NH2+]C1CC(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001100716239 1364233223 /nfs/dbraw/zinc/23/32/23/1364233223.db2.gz CPCKVJYGLGYSQS-WWDZGPRUSA-N 2 2 334.508 3.289 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102414777 1365045773 /nfs/dbraw/zinc/04/57/73/1365045773.db2.gz NKYDPGVQJQJWMQ-CEXWTWQISA-N 2 2 348.535 3.489 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102414777 1365045779 /nfs/dbraw/zinc/04/57/79/1365045779.db2.gz NKYDPGVQJQJWMQ-CEXWTWQISA-N 2 2 348.535 3.489 20 30 EGEDLP CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001104468857 1366040883 /nfs/dbraw/zinc/04/08/83/1366040883.db2.gz SGLFXQZXOZOROF-RTBURBONSA-N 2 2 348.535 3.318 20 30 EGEDLP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001106877099 1366821884 /nfs/dbraw/zinc/82/18/84/1366821884.db2.gz MMOFMNYRBVSPRQ-IAGOWNOFSA-N 2 2 348.535 3.342 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001190487374 1367275546 /nfs/dbraw/zinc/27/55/46/1367275546.db2.gz ZBZSGXTZYOZPEZ-RBUKOAKNSA-N 2 2 346.519 3.166 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001190487374 1367275549 /nfs/dbraw/zinc/27/55/49/1367275549.db2.gz ZBZSGXTZYOZPEZ-RBUKOAKNSA-N 2 2 346.519 3.166 20 30 EGEDLP CCCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001108700015 1367541231 /nfs/dbraw/zinc/54/12/31/1367541231.db2.gz SAZVHFOQPVZEAV-WDSOQIARSA-N 2 2 346.519 3.282 20 30 EGEDLP CCCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001108700015 1367541234 /nfs/dbraw/zinc/54/12/34/1367541234.db2.gz SAZVHFOQPVZEAV-WDSOQIARSA-N 2 2 346.519 3.282 20 30 EGEDLP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001200571407 1369391323 /nfs/dbraw/zinc/39/13/23/1369391323.db2.gz VYNZVKFCEQVOBT-HNNXBMFYSA-N 2 2 340.471 3.192 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001201261011 1369506406 /nfs/dbraw/zinc/50/64/06/1369506406.db2.gz VTNYPJSJPMWNIJ-CQSZACIVSA-N 2 2 326.444 3.112 20 30 EGEDLP C=CCCCCC[NH2+]C1(CNC(=O)CCc2[nH]cc[nH+]2)CCCCC1 ZINC001115510313 1370509188 /nfs/dbraw/zinc/50/91/88/1370509188.db2.gz OYNJSUXGJYHJOZ-UHFFFAOYSA-N 2 2 346.519 3.497 20 30 EGEDLP N#Cc1ccc(Oc2ccc(C[N@@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)cn2)cc1 ZINC001206172551 1370980082 /nfs/dbraw/zinc/98/00/82/1370980082.db2.gz AQCXVPGVDMVOKP-MSOLQXFVSA-N 2 2 340.402 3.007 20 30 EGEDLP N#Cc1ccc(Oc2ccc(C[N@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)cn2)cc1 ZINC001206172551 1370980085 /nfs/dbraw/zinc/98/00/85/1370980085.db2.gz AQCXVPGVDMVOKP-MSOLQXFVSA-N 2 2 340.402 3.007 20 30 EGEDLP Cn1cc(C[N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)cc1C#N ZINC001207108588 1371295632 /nfs/dbraw/zinc/29/56/32/1371295632.db2.gz NGBUZRUKXOHBKG-UHFFFAOYSA-N 2 2 340.446 3.132 20 30 EGEDLP Cn1cc(C[N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)cc1C#N ZINC001207108588 1371295635 /nfs/dbraw/zinc/29/56/35/1371295635.db2.gz NGBUZRUKXOHBKG-UHFFFAOYSA-N 2 2 340.446 3.132 20 30 EGEDLP N#Cc1ccc(OC2CC[NH+](Cc3c[nH+]ccc3N)CC2)cc1Cl ZINC001209737968 1372180470 /nfs/dbraw/zinc/18/04/70/1372180470.db2.gz UWEPOIYMIOYBJK-UHFFFAOYSA-N 2 2 342.830 3.063 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001226696502 1375311203 /nfs/dbraw/zinc/31/12/03/1375311203.db2.gz JDSDOQXIKGTQED-QZTJIDSGSA-N 2 2 334.508 3.330 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001226696502 1375311209 /nfs/dbraw/zinc/31/12/09/1375311209.db2.gz JDSDOQXIKGTQED-QZTJIDSGSA-N 2 2 334.508 3.330 20 30 EGEDLP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001133021192 1375717490 /nfs/dbraw/zinc/71/74/90/1375717490.db2.gz KAKLVZQVJJRVLW-RTBURBONSA-N 2 2 348.535 3.318 20 30 EGEDLP C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1c[nH]c3cc[nH+]cc13)CCO2 ZINC001140803479 1378141620 /nfs/dbraw/zinc/14/16/20/1378141620.db2.gz QNNNTEPICLZABL-YLJYHZDGSA-N 2 2 341.455 3.137 20 30 EGEDLP C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1c[nH]c3cc[nH+]cc13)CCO2 ZINC001140803479 1378141622 /nfs/dbraw/zinc/14/16/22/1378141622.db2.gz QNNNTEPICLZABL-YLJYHZDGSA-N 2 2 341.455 3.137 20 30 EGEDLP C#Cc1ccc(C[NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)cc1 ZINC001144572063 1378746650 /nfs/dbraw/zinc/74/66/50/1378746650.db2.gz OMMAWMNXTHBQPG-UHFFFAOYSA-N 2 2 348.494 3.032 20 30 EGEDLP C#Cc1ccc(C[NH+]2CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC2)cc1 ZINC001144572063 1378746657 /nfs/dbraw/zinc/74/66/57/1378746657.db2.gz OMMAWMNXTHBQPG-UHFFFAOYSA-N 2 2 348.494 3.032 20 30 EGEDLP CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001154065879 1380197328 /nfs/dbraw/zinc/19/73/28/1380197328.db2.gz FSCUPNQXOSIYIK-MSOLQXFVSA-N 2 2 348.535 3.243 20 30 EGEDLP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001154065879 1380197330 /nfs/dbraw/zinc/19/73/30/1380197330.db2.gz FSCUPNQXOSIYIK-MSOLQXFVSA-N 2 2 348.535 3.243 20 30 EGEDLP C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001158227189 1381166034 /nfs/dbraw/zinc/16/60/34/1381166034.db2.gz DQFMIGFDGJEWKB-QGZVFWFLSA-N 2 2 346.862 3.013 20 30 EGEDLP C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001158227189 1381166035 /nfs/dbraw/zinc/16/60/35/1381166035.db2.gz DQFMIGFDGJEWKB-QGZVFWFLSA-N 2 2 346.862 3.013 20 30 EGEDLP N#Cc1c2c(sc1Nc1ccc(N3CCCCC3)[nH+]c1)C[NH2+]CC2 ZINC001159159410 1381681995 /nfs/dbraw/zinc/68/19/95/1381681995.db2.gz HJVHFVGLLYGVDK-UHFFFAOYSA-N 2 2 339.468 3.394 20 30 EGEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(C)c2ccccc2[nH+]1 ZINC001159925148 1381939226 /nfs/dbraw/zinc/93/92/26/1381939226.db2.gz BTWMDVRNQGZEJN-INIZCTEOSA-N 2 2 327.428 3.182 20 30 EGEDLP CN(C)/C=[NH+]/c1ccc(NCCc2cn3ccccc3[nH+]2)cc1C#N ZINC001169009146 1384087644 /nfs/dbraw/zinc/08/76/44/1384087644.db2.gz MMZOIEAKQUKTKA-HYARGMPZSA-N 2 2 332.411 3.082 20 30 EGEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H]1C ZINC001178956961 1386359965 /nfs/dbraw/zinc/35/99/65/1386359965.db2.gz GHPIECBVTIJIFW-OKZBNKHCSA-N 2 2 332.492 3.016 20 30 EGEDLP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001181904440 1387073354 /nfs/dbraw/zinc/07/33/54/1387073354.db2.gz SSFVQOMMKFXGQJ-FOIQADDNSA-N 2 2 340.471 3.217 20 30 EGEDLP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001691360976 1405213877 /nfs/dbraw/zinc/21/38/77/1405213877.db2.gz TXCCODWGFGNKSZ-DOMZBBRYSA-N 2 2 346.862 3.146 20 30 EGEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001752830877 1440225387 /nfs/dbraw/zinc/22/53/87/1440225387.db2.gz KKVNIAUECHXHOH-HOTGVXAUSA-N 2 2 332.492 3.013 20 30 EGEDLP C=C(C)CC[NH2+]C1CCC(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001752850527 1440233348 /nfs/dbraw/zinc/23/33/48/1440233348.db2.gz GUYWWCPVWLYKKJ-CTWPCTMYSA-N 2 2 346.519 3.454 20 30 EGEDLP C=CCCC[NH2+]CCC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001753570713 1440438501 /nfs/dbraw/zinc/43/85/01/1440438501.db2.gz LXFOGHHDQZAQET-UHFFFAOYSA-N 2 2 346.519 3.111 20 30 EGEDLP C=CCCC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001755023760 1440727812 /nfs/dbraw/zinc/72/78/12/1440727812.db2.gz MVIWASKWNSVUMC-GOSISDBHSA-N 2 2 340.471 3.193 20 30 EGEDLP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001755023760 1440727813 /nfs/dbraw/zinc/72/78/13/1440727813.db2.gz MVIWASKWNSVUMC-GOSISDBHSA-N 2 2 340.471 3.193 20 30 EGEDLP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001755129954 1440756912 /nfs/dbraw/zinc/75/69/12/1440756912.db2.gz AGTMKRNNVWIXBX-SFHVURJKSA-N 2 2 346.519 3.407 20 30 EGEDLP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC001755143601 1440762374 /nfs/dbraw/zinc/76/23/74/1440762374.db2.gz LVGAXLVBSUEHRJ-GOSISDBHSA-N 2 2 348.535 3.448 20 30 EGEDLP CCCCCCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC001755143601 1440762375 /nfs/dbraw/zinc/76/23/75/1440762375.db2.gz LVGAXLVBSUEHRJ-GOSISDBHSA-N 2 2 348.535 3.448 20 30 EGEDLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(C#N)cc1 ZINC000191835271 533423101 /nfs/dbraw/zinc/42/31/01/533423101.db2.gz BOTCRRNDKUIODM-XMSQKQJNSA-N 2 2 349.478 3.500 20 30 EGEDLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(C#N)cc1 ZINC000191835271 533423103 /nfs/dbraw/zinc/42/31/03/533423103.db2.gz BOTCRRNDKUIODM-XMSQKQJNSA-N 2 2 349.478 3.500 20 30 EGEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000298594289 132392621 /nfs/dbraw/zinc/39/26/21/132392621.db2.gz YPTXJNIZBHJAGI-NRFANRHFSA-N 3 2 342.531 3.339 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc4c(c3)COC4)CC2)cc1 ZINC000344317974 164155376 /nfs/dbraw/zinc/15/53/76/164155376.db2.gz FZWLFEVDLJVRHU-UHFFFAOYSA-N 2 2 347.462 3.343 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCCCS3)CC2)cc1 ZINC000346294138 164364923 /nfs/dbraw/zinc/36/49/23/164364923.db2.gz KCYIITKHYZBTJQ-LJQANCHMSA-N 2 2 329.513 3.398 20 30 EGEDLP C[N@H+](Cc1ccc(C#N)s1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000122360601 222071094 /nfs/dbraw/zinc/07/10/94/222071094.db2.gz IPIZDYJMAPRFQK-UHFFFAOYSA-N 2 2 340.496 3.154 20 30 EGEDLP C[N@@H+](Cc1ccc(C#N)s1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000122360601 222071098 /nfs/dbraw/zinc/07/10/98/222071098.db2.gz IPIZDYJMAPRFQK-UHFFFAOYSA-N 2 2 340.496 3.154 20 30 EGEDLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000269634820 267005522 /nfs/dbraw/zinc/00/55/22/267005522.db2.gz VNWOVHKRILJGKJ-HNNXBMFYSA-N 2 2 338.430 3.408 20 30 EGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCCCO1 ZINC000271948203 267180301 /nfs/dbraw/zinc/18/03/01/267180301.db2.gz YYIIIAFOKUFAOC-OXJNMPFZSA-N 2 2 327.472 3.070 20 30 EGEDLP C[N@@H+]1CCC[C@@H]2C[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000158534077 277068438 /nfs/dbraw/zinc/06/84/38/277068438.db2.gz ULBKZORHEBWVHD-AEFFLSMTSA-N 2 2 336.401 3.473 20 30 EGEDLP C[N@H+]1CCC[C@@H]2C[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000158534077 277068439 /nfs/dbraw/zinc/06/84/39/277068439.db2.gz ULBKZORHEBWVHD-AEFFLSMTSA-N 2 2 336.401 3.473 20 30 EGEDLP C[NH+]1CCC[C@@H]2C[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000158534077 277068440 /nfs/dbraw/zinc/06/84/40/277068440.db2.gz ULBKZORHEBWVHD-AEFFLSMTSA-N 2 2 336.401 3.473 20 30 EGEDLP C[NH+]1CCC[C@@H]2C[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000158534077 277068441 /nfs/dbraw/zinc/06/84/41/277068441.db2.gz ULBKZORHEBWVHD-AEFFLSMTSA-N 2 2 336.401 3.473 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](CO)C3CCCCC3)CC2)cc1 ZINC000539506722 314317896 /nfs/dbraw/zinc/31/78/96/314317896.db2.gz MXCRIOIVSCUHQL-NRFANRHFSA-N 2 2 341.499 3.053 20 30 EGEDLP C[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000552225790 315207269 /nfs/dbraw/zinc/20/72/69/315207269.db2.gz NZAWPAKVUPLDEQ-QZTJIDSGSA-N 2 2 340.515 3.380 20 30 EGEDLP C[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000552225790 315207272 /nfs/dbraw/zinc/20/72/72/315207272.db2.gz NZAWPAKVUPLDEQ-QZTJIDSGSA-N 2 2 340.515 3.380 20 30 EGEDLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000565154914 316277343 /nfs/dbraw/zinc/27/73/43/316277343.db2.gz CVFZKMTXMIRQMR-IIBYNOLFSA-N 2 2 337.467 3.188 20 30 EGEDLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000565154914 316277346 /nfs/dbraw/zinc/27/73/46/316277346.db2.gz CVFZKMTXMIRQMR-IIBYNOLFSA-N 2 2 337.467 3.188 20 30 EGEDLP Cc1cc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000009452388 453252847 /nfs/dbraw/zinc/25/28/47/453252847.db2.gz CTSUNWJLZCZVQA-UHFFFAOYSA-N 2 2 335.455 3.102 20 30 EGEDLP CCc1cccc(CC)c1NC(=[NH2+])NCc1cccnc1-n1cc[nH+]c1 ZINC000170912394 454998555 /nfs/dbraw/zinc/99/85/55/454998555.db2.gz FLPUBMMLYDRMSP-UHFFFAOYSA-N 2 2 348.454 3.319 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCOC3CCCC3)CC2)cc1 ZINC000181619068 455362478 /nfs/dbraw/zinc/36/24/78/455362478.db2.gz COPWBZIRWGODFT-UHFFFAOYSA-N 2 2 327.472 3.071 20 30 EGEDLP N#Cc1csc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000192357606 455597576 /nfs/dbraw/zinc/59/75/76/455597576.db2.gz SYWOZOWDGZJZQH-SFHVURJKSA-N 2 2 341.480 3.000 20 30 EGEDLP N#Cc1csc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000192357606 455597579 /nfs/dbraw/zinc/59/75/79/455597579.db2.gz SYWOZOWDGZJZQH-SFHVURJKSA-N 2 2 341.480 3.000 20 30 EGEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000250280498 455786674 /nfs/dbraw/zinc/78/66/74/455786674.db2.gz DBIRWWVANVLLHC-WOJBJXKFSA-N 2 2 347.547 3.019 20 30 EGEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000250280498 455786676 /nfs/dbraw/zinc/78/66/76/455786676.db2.gz DBIRWWVANVLLHC-WOJBJXKFSA-N 2 2 347.547 3.019 20 30 EGEDLP CC[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(C#N)cc1 ZINC000278281623 455804826 /nfs/dbraw/zinc/80/48/26/455804826.db2.gz QCRMQZYSWMSVIX-VXKWHMMOSA-N 2 2 349.478 3.018 20 30 EGEDLP CC[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(C#N)cc1 ZINC000278281623 455804829 /nfs/dbraw/zinc/80/48/29/455804829.db2.gz QCRMQZYSWMSVIX-VXKWHMMOSA-N 2 2 349.478 3.018 20 30 EGEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000280937860 456087852 /nfs/dbraw/zinc/08/78/52/456087852.db2.gz VVRIJOWPDPXZAY-CTNGQTDRSA-N 2 2 339.483 3.093 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(C)nn(-c3ccccn3)c2C)CC1 ZINC000282533436 456543528 /nfs/dbraw/zinc/54/35/28/456543528.db2.gz BEDGJPCZPPOGDT-UHFFFAOYSA-N 2 2 339.487 3.014 20 30 EGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277116982 456686299 /nfs/dbraw/zinc/68/62/99/456686299.db2.gz HNMRAMYCXUDGBE-IRXDYDNUSA-N 2 2 349.544 3.067 20 30 EGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277116982 456686309 /nfs/dbraw/zinc/68/63/09/456686309.db2.gz HNMRAMYCXUDGBE-IRXDYDNUSA-N 2 2 349.544 3.067 20 30 EGEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000330243919 457010770 /nfs/dbraw/zinc/01/07/70/457010770.db2.gz CWROGDSMAJZJCG-IRXDYDNUSA-N 2 2 347.507 3.076 20 30 EGEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000330243919 457010776 /nfs/dbraw/zinc/01/07/76/457010776.db2.gz CWROGDSMAJZJCG-IRXDYDNUSA-N 2 2 347.507 3.076 20 30 EGEDLP CCCCCCCCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370842653 457727534 /nfs/dbraw/zinc/72/75/34/457727534.db2.gz PTIBDOMABZCLSI-LJQANCHMSA-N 2 2 337.552 3.364 20 30 EGEDLP CCCCCCCCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370842653 457727535 /nfs/dbraw/zinc/72/75/35/457727535.db2.gz PTIBDOMABZCLSI-LJQANCHMSA-N 2 2 337.552 3.364 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cn(-c3cccc(F)c3)nc2C)CC1 ZINC000414341633 458318284 /nfs/dbraw/zinc/31/82/84/458318284.db2.gz WENYZPYGWBIIAK-UHFFFAOYSA-N 2 2 342.462 3.450 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000474713946 458898077 /nfs/dbraw/zinc/89/80/77/458898077.db2.gz YCQOYBDGZCCOSJ-HZPDHXFCSA-N 2 2 332.488 3.436 20 30 EGEDLP C[N@H+](CCc1ccc(C#N)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000595337075 459279914 /nfs/dbraw/zinc/27/99/14/459279914.db2.gz SGAURRWUYHMONR-UHFFFAOYSA-N 2 2 348.494 3.135 20 30 EGEDLP C[N@@H+](CCc1ccc(C#N)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000595337075 459279919 /nfs/dbraw/zinc/27/99/19/459279919.db2.gz SGAURRWUYHMONR-UHFFFAOYSA-N 2 2 348.494 3.135 20 30 EGEDLP C#C[C@@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)c1ccc(Cl)cc1 ZINC000491309402 459615193 /nfs/dbraw/zinc/61/51/93/459615193.db2.gz ZEACDWDLUMSIAY-GOSISDBHSA-N 2 2 348.874 3.022 20 30 EGEDLP C#C[C@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)c1ccc(Cl)cc1 ZINC000491309409 459616501 /nfs/dbraw/zinc/61/65/01/459616501.db2.gz ZEACDWDLUMSIAY-SFHVURJKSA-N 2 2 348.874 3.022 20 30 EGEDLP CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585718694 459836807 /nfs/dbraw/zinc/83/68/07/459836807.db2.gz TYGPIVZKMYGUQV-LJQANCHMSA-N 2 2 341.499 3.174 20 30 EGEDLP CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585718694 459836808 /nfs/dbraw/zinc/83/68/08/459836808.db2.gz TYGPIVZKMYGUQV-LJQANCHMSA-N 2 2 341.499 3.174 20 30 EGEDLP CC1(C)C[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)C(C)(C)O1 ZINC000593723794 459964493 /nfs/dbraw/zinc/96/44/93/459964493.db2.gz ZHLAJIOFOOQJNG-IBGZPJMESA-N 2 2 341.499 3.458 20 30 EGEDLP COC1([C@@H](C)[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CCCC1 ZINC000593726346 459965266 /nfs/dbraw/zinc/96/52/66/459965266.db2.gz YLVUUCGEMWLUIK-QGZVFWFLSA-N 2 2 341.499 3.460 20 30 EGEDLP C=CCCn1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)nn1 ZINC000657374869 462081039 /nfs/dbraw/zinc/08/10/39/462081039.db2.gz TZQSZNONMNTDAM-CRAIPNDOSA-N 2 2 345.516 3.088 20 30 EGEDLP C=CCCn1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)nn1 ZINC000657374869 462081045 /nfs/dbraw/zinc/08/10/45/462081045.db2.gz TZQSZNONMNTDAM-CRAIPNDOSA-N 2 2 345.516 3.088 20 30 EGEDLP CCc1ccc(NC(=[NH2+])NC[C@@H](c2cccc(OC)c2)[NH+](C)C)cc1 ZINC000104155436 1293018099 /nfs/dbraw/zinc/01/80/99/1293018099.db2.gz LMNNNUVKISATKT-IBGZPJMESA-N 2 2 340.471 3.287 20 30 EGEDLP CCCCNC(=[NH2+])NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000183890822 1295157288 /nfs/dbraw/zinc/15/72/88/1295157288.db2.gz XIIGOHSKDPBFMH-AWEZNQCLSA-N 2 2 330.398 3.013 20 30 EGEDLP CCc1cccc(NC(=[NH2+])NC[C@@H](C(CC)CC)[NH+]2CCOCC2)c1 ZINC000303771068 1296848545 /nfs/dbraw/zinc/84/85/45/1296848545.db2.gz CIDZBNBCXSZVOD-IBGZPJMESA-N 2 2 346.519 3.113 20 30 EGEDLP [NH2+]=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)NC1CCCCCC1 ZINC000305750337 1297041696 /nfs/dbraw/zinc/04/16/96/1297041696.db2.gz ZEZJZMJHITUZGH-KRWDZBQOSA-N 2 2 332.492 3.434 20 30 EGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1n1cncn1)C(C)C ZINC000340472282 1297313478 /nfs/dbraw/zinc/31/34/78/1297313478.db2.gz IAKUTKFZEDUQEW-UAFMIMERSA-N 2 2 345.535 3.296 20 30 EGEDLP CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000878252137 1299866104 /nfs/dbraw/zinc/86/61/04/1299866104.db2.gz COYMNNQXSUFDSG-FXAWDEMLSA-N 2 2 336.439 3.030 20 30 EGEDLP CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000878252137 1299866120 /nfs/dbraw/zinc/86/61/20/1299866120.db2.gz COYMNNQXSUFDSG-FXAWDEMLSA-N 2 2 336.439 3.030 20 30 EGEDLP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000797999341 1310282108 /nfs/dbraw/zinc/28/21/08/1310282108.db2.gz UELVELYBJMCPEW-UWJYYQICSA-N 2 2 343.515 3.292 20 30 EGEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000797999340 1310282393 /nfs/dbraw/zinc/28/23/93/1310282393.db2.gz UELVELYBJMCPEW-UTKZUKDTSA-N 2 2 343.515 3.292 20 30 EGEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCSC2CCCCC2)cc1 ZINC000799961209 1310644292 /nfs/dbraw/zinc/64/42/92/1310644292.db2.gz FAIZYEYPCJKPOP-UHFFFAOYSA-N 2 2 335.517 3.451 20 30 EGEDLP CNc1ccccc1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000902615787 1317599715 /nfs/dbraw/zinc/59/97/15/1317599715.db2.gz KCJVHZNBBUWXMI-UHFFFAOYSA-N 2 2 334.467 3.354 20 30 EGEDLP C=C(C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021612871 1318460250 /nfs/dbraw/zinc/46/02/50/1318460250.db2.gz HDKGRZDJYOLORZ-KXBFYZLASA-N 2 2 338.455 3.066 20 30 EGEDLP C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021612871 1318460254 /nfs/dbraw/zinc/46/02/54/1318460254.db2.gz HDKGRZDJYOLORZ-KXBFYZLASA-N 2 2 338.455 3.066 20 30 EGEDLP C=CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021614998 1318462765 /nfs/dbraw/zinc/46/27/65/1318462765.db2.gz UKVVHTUSXMVYOL-BEFAXECRSA-N 2 2 338.455 3.066 20 30 EGEDLP C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021614998 1318462767 /nfs/dbraw/zinc/46/27/67/1318462767.db2.gz UKVVHTUSXMVYOL-BEFAXECRSA-N 2 2 338.455 3.066 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(N3CCCOC3=O)cc2)CC1 ZINC000815577195 1319019796 /nfs/dbraw/zinc/01/97/96/1319019796.db2.gz JLANLXDMZCGSDK-MRXNPFEDSA-N 2 2 343.471 3.334 20 30 EGEDLP C=CCC1([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CCOCC1 ZINC000827146004 1320429671 /nfs/dbraw/zinc/42/96/71/1320429671.db2.gz ASJCYSHMWMEEER-UHFFFAOYSA-N 2 2 343.515 3.436 20 30 EGEDLP Cc1ccc([C@@H](CNC(=[NH+]Cc2ccccc2)N(C)C)[NH+](C)C)cc1 ZINC000849068952 1322065270 /nfs/dbraw/zinc/06/52/70/1322065270.db2.gz BQTXFYBXKXHASN-HXUWFJFHSA-N 2 2 338.499 3.305 20 30 EGEDLP C=C(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025422321 1324255408 /nfs/dbraw/zinc/25/54/08/1324255408.db2.gz IAYBBPYVMDSSIF-AEFFLSMTSA-N 2 2 340.471 3.049 20 30 EGEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025422321 1324255410 /nfs/dbraw/zinc/25/54/10/1324255410.db2.gz IAYBBPYVMDSSIF-AEFFLSMTSA-N 2 2 340.471 3.049 20 30 EGEDLP C=C[C@H](CC)CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000935081237 1330027337 /nfs/dbraw/zinc/02/73/37/1330027337.db2.gz YOLUBXDEAVPXHK-YZGWKJHDSA-N 2 2 349.563 3.384 20 30 EGEDLP C=C[C@H](CC)CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000935081237 1330027342 /nfs/dbraw/zinc/02/73/42/1330027342.db2.gz YOLUBXDEAVPXHK-YZGWKJHDSA-N 2 2 349.563 3.384 20 30 EGEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000947572860 1333176796 /nfs/dbraw/zinc/17/67/96/1333176796.db2.gz VAQMIFKRKPJHKY-AEFFLSMTSA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000947572860 1333176798 /nfs/dbraw/zinc/17/67/98/1333176798.db2.gz VAQMIFKRKPJHKY-AEFFLSMTSA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000947877244 1333287877 /nfs/dbraw/zinc/28/78/77/1333287877.db2.gz BGYATSJXRACHLT-AEFFLSMTSA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000947877244 1333287878 /nfs/dbraw/zinc/28/78/78/1333287878.db2.gz BGYATSJXRACHLT-AEFFLSMTSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001039212347 1344926321 /nfs/dbraw/zinc/92/63/21/1344926321.db2.gz IUBXWNCLOSNQPQ-BEFAXECRSA-N 2 2 338.455 3.066 20 30 EGEDLP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001039212347 1344926328 /nfs/dbraw/zinc/92/63/28/1344926328.db2.gz IUBXWNCLOSNQPQ-BEFAXECRSA-N 2 2 338.455 3.066 20 30 EGEDLP C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053084335 1348905223 /nfs/dbraw/zinc/90/52/23/1348905223.db2.gz PSVUZWJDYTWOTB-QZTJIDSGSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)C[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053084335 1348905226 /nfs/dbraw/zinc/90/52/26/1348905226.db2.gz PSVUZWJDYTWOTB-QZTJIDSGSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)c3cc4c[nH+]ccc4[nH]3)cc2C1 ZINC001054269505 1349267775 /nfs/dbraw/zinc/26/77/75/1349267775.db2.gz FLIPLUUVHAYRFX-UHFFFAOYSA-N 2 2 346.434 3.385 20 30 EGEDLP C=C(C)C[N@H+]1Cc2ccc(CNC(=O)c3cc4c[nH+]ccc4[nH]3)cc2C1 ZINC001054269505 1349267778 /nfs/dbraw/zinc/26/77/78/1349267778.db2.gz FLIPLUUVHAYRFX-UHFFFAOYSA-N 2 2 346.434 3.385 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001184211747 1387415738 /nfs/dbraw/zinc/41/57/38/1387415738.db2.gz VKIQZTLJXDTMAY-MRXNPFEDSA-N 2 2 328.460 3.109 20 30 EGEDLP C=CCCC[NH2+]C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001184651913 1387503107 /nfs/dbraw/zinc/50/31/07/1387503107.db2.gz ISMVMABWGNWZFC-JKSUJKDBSA-N 2 2 340.471 3.217 20 30 EGEDLP C=CCCCCC[NH2+]C1CC(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001100716804 1364233559 /nfs/dbraw/zinc/23/35/59/1364233559.db2.gz RFYBLPXMXLOJOR-WWDZGPRUSA-N 2 2 332.492 3.065 20 30 EGEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001103255424 1365459004 /nfs/dbraw/zinc/45/90/04/1365459004.db2.gz ZVQMXNCRPGBMPV-CRAIPNDOSA-N 2 2 329.488 3.271 20 30 EGEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001103255424 1365459005 /nfs/dbraw/zinc/45/90/05/1365459005.db2.gz ZVQMXNCRPGBMPV-CRAIPNDOSA-N 2 2 329.488 3.271 20 30 EGEDLP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561049 1367044741 /nfs/dbraw/zinc/04/47/41/1367044741.db2.gz BJDDDOLRZNWVMQ-QWFCFKBJSA-N 2 2 344.503 3.161 20 30 EGEDLP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561049 1367044745 /nfs/dbraw/zinc/04/47/45/1367044745.db2.gz BJDDDOLRZNWVMQ-QWFCFKBJSA-N 2 2 344.503 3.161 20 30 EGEDLP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001190899079 1367377882 /nfs/dbraw/zinc/37/78/82/1367377882.db2.gz GZSYGEMUGNHDRR-GOSISDBHSA-N 2 2 346.519 3.206 20 30 EGEDLP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001190899079 1367377885 /nfs/dbraw/zinc/37/78/85/1367377885.db2.gz GZSYGEMUGNHDRR-GOSISDBHSA-N 2 2 346.519 3.206 20 30 EGEDLP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH+]cn1C)C2 ZINC001111337954 1368268116 /nfs/dbraw/zinc/26/81/16/1368268116.db2.gz DXZPLAUIWWFNJP-QRQLOZEOSA-N 2 2 346.519 3.045 20 30 EGEDLP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH+]cn1C)C2 ZINC001111337954 1368268119 /nfs/dbraw/zinc/26/81/19/1368268119.db2.gz DXZPLAUIWWFNJP-QRQLOZEOSA-N 2 2 346.519 3.045 20 30 EGEDLP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C12CCC2 ZINC001203242831 1370037071 /nfs/dbraw/zinc/03/70/71/1370037071.db2.gz XKNLDSSUBNTTTN-ROUUACIJSA-N 2 2 344.503 3.037 20 30 EGEDLP C=CCOc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001204299800 1370436271 /nfs/dbraw/zinc/43/62/71/1370436271.db2.gz FODKNXUPZQDAIQ-BGYRXZFFSA-N 2 2 349.478 3.210 20 30 EGEDLP C=CCOc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001204299800 1370436277 /nfs/dbraw/zinc/43/62/77/1370436277.db2.gz FODKNXUPZQDAIQ-BGYRXZFFSA-N 2 2 349.478 3.210 20 30 EGEDLP C=CCOc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001204299800 1370436279 /nfs/dbraw/zinc/43/62/79/1370436279.db2.gz FODKNXUPZQDAIQ-BGYRXZFFSA-N 2 2 349.478 3.210 20 30 EGEDLP C=CCOc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001204299800 1370436285 /nfs/dbraw/zinc/43/62/85/1370436285.db2.gz FODKNXUPZQDAIQ-BGYRXZFFSA-N 2 2 349.478 3.210 20 30 EGEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001206973606 1371253660 /nfs/dbraw/zinc/25/36/60/1371253660.db2.gz PDRRFJZFEIPFJR-RVKKMQEKSA-N 2 2 340.471 3.048 20 30 EGEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001206973606 1371253662 /nfs/dbraw/zinc/25/36/62/1371253662.db2.gz PDRRFJZFEIPFJR-RVKKMQEKSA-N 2 2 340.471 3.048 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001208411682 1371758757 /nfs/dbraw/zinc/75/87/57/1371758757.db2.gz ZYPQWYFBKFLREX-GOSISDBHSA-N 2 2 348.535 3.478 20 30 EGEDLP N#Cc1ccccc1O[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC001209451471 1372109040 /nfs/dbraw/zinc/10/90/40/1372109040.db2.gz ZUFCIIJUCPNQOI-LJQANCHMSA-N 2 2 327.472 3.277 20 30 EGEDLP N#Cc1ccccc1O[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001209451471 1372109043 /nfs/dbraw/zinc/10/90/43/1372109043.db2.gz ZUFCIIJUCPNQOI-LJQANCHMSA-N 2 2 327.472 3.277 20 30 EGEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001210437348 1372353388 /nfs/dbraw/zinc/35/33/88/1372353388.db2.gz JAPFEOKNQQZQAI-GOSISDBHSA-N 2 2 338.455 3.033 20 30 EGEDLP CCCCCCCOc1ccc(-c2noc([C@H]3C[NH2+]C[C@@H]3[NH3+])n2)cc1 ZINC001211755583 1372612536 /nfs/dbraw/zinc/61/25/36/1372612536.db2.gz UBZDJPUJUWKMHT-IRXDYDNUSA-N 2 2 344.459 3.100 20 30 EGEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001132919796 1375643156 /nfs/dbraw/zinc/64/31/56/1375643156.db2.gz NFKZRRQDYYCNSH-DOTOQJQBSA-N 2 2 340.471 3.217 20 30 EGEDLP CCCCCCC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001133021189 1375717528 /nfs/dbraw/zinc/71/75/28/1375717528.db2.gz KAKLVZQVJJRVLW-MOPGFXCFSA-N 2 2 348.535 3.318 20 30 EGEDLP CCCCCCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1C ZINC001133240998 1375861778 /nfs/dbraw/zinc/86/17/78/1375861778.db2.gz DBMTVFALXXAQJI-ROUUACIJSA-N 2 2 348.535 3.007 20 30 EGEDLP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc(C#N)c(Cl)c2)CC1 ZINC001232119464 1376402737 /nfs/dbraw/zinc/40/27/37/1376402737.db2.gz ZIODHGLRFJAQAA-UHFFFAOYSA-N 2 2 326.831 3.237 20 30 EGEDLP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001135679558 1377181636 /nfs/dbraw/zinc/18/16/36/1377181636.db2.gz NPHXGNGPLSCCRJ-DLBZAZTESA-N 2 2 342.487 3.024 20 30 EGEDLP Cc1cc(N2CC[NH+](Cc3cncc(C#N)c3)CC2)c2ccccc2[nH+]1 ZINC001144074128 1378679720 /nfs/dbraw/zinc/67/97/20/1378679720.db2.gz DKVYNZFHOSDSSP-UHFFFAOYSA-N 2 2 343.434 3.132 20 30 EGEDLP CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001155321654 1380436887 /nfs/dbraw/zinc/43/68/87/1380436887.db2.gz SFFPVXAXXYAUOM-KZNAEPCWSA-N 2 2 348.535 3.321 20 30 EGEDLP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001155321654 1380436888 /nfs/dbraw/zinc/43/68/88/1380436888.db2.gz SFFPVXAXXYAUOM-KZNAEPCWSA-N 2 2 348.535 3.321 20 30 EGEDLP C=CCCCCC[NH2+]CC1(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001167348901 1383606219 /nfs/dbraw/zinc/60/62/19/1383606219.db2.gz YFZOGEIDDKPKHN-GOSISDBHSA-N 2 2 346.519 3.457 20 30 EGEDLP C[NH+]1CCN(c2ccc(CNc3cc(C4(C#N)CC4)cc[nH+]3)cc2)CC1 ZINC001167431435 1383632559 /nfs/dbraw/zinc/63/25/59/1383632559.db2.gz ZLRMTCXNXQMJEB-UHFFFAOYSA-N 2 2 347.466 3.001 20 30 EGEDLP CO/[NH+]=C/c1cc(N2C(C)(C)CC([NH3+])CC2(C)C)cc(F)c1F ZINC001167626612 1383692578 /nfs/dbraw/zinc/69/25/78/1383692578.db2.gz PDCYLTXHNUBCIW-UFFVCSGVSA-N 2 2 325.403 3.430 20 30 EGEDLP C=CCCCCC[NH2+]CCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001170022872 1384219743 /nfs/dbraw/zinc/21/97/43/1384219743.db2.gz KIAAUFAYEMAODZ-UHFFFAOYSA-N 2 2 340.471 3.328 20 30 EGEDLP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001170784460 1384384788 /nfs/dbraw/zinc/38/47/88/1384384788.db2.gz JNGVDNHKGDPBIH-CQSZACIVSA-N 2 2 348.878 3.273 20 30 EGEDLP C[C@H](Cc1ccc(C#N)cc1)N(c1cc[nH+]cc1F)C1CC[NH2+]CC1 ZINC001172312789 1384766804 /nfs/dbraw/zinc/76/68/04/1384766804.db2.gz JLUNCVGUZZUDOR-OAHLLOKOSA-N 2 2 338.430 3.282 20 30 EGEDLP CCCCCCC[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001176177608 1385503535 /nfs/dbraw/zinc/50/35/35/1385503535.db2.gz ZIZSGSYWWSUHNZ-KRWDZBQOSA-N 2 2 336.524 3.198 20 30 EGEDLP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001177431130 1385953696 /nfs/dbraw/zinc/95/36/96/1385953696.db2.gz LBTGUCQSFXYQRG-KRWDZBQOSA-N 2 2 332.492 3.019 20 30 EGEDLP C=CCCCCC[NH2+]CCCCCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001180158466 1386717269 /nfs/dbraw/zinc/71/72/69/1386717269.db2.gz LPHHMDATDWYSBT-UHFFFAOYSA-N 2 2 334.508 3.273 20 30 EGEDLP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001752828001 1440224437 /nfs/dbraw/zinc/22/44/37/1440224437.db2.gz WEPZCWANFAWKPH-RTBURBONSA-N 2 2 346.519 3.407 20 30 EGEDLP C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001753734888 1440477270 /nfs/dbraw/zinc/47/72/70/1440477270.db2.gz KZRHKTKWGAAOPD-INIZCTEOSA-N 2 2 348.878 3.129 20 30 EGEDLP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)c2ccn3c(C)c[nH+]c3c2)cc1 ZINC001754946927 1440713483 /nfs/dbraw/zinc/71/34/83/1440713483.db2.gz BBVMWEAJGWQPSK-MRXNPFEDSA-N 2 2 348.450 3.409 20 30 EGEDLP COc1ccc([C@H](C[NH2+]Cc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000052659656 214139658 /nfs/dbraw/zinc/13/96/58/214139658.db2.gz SQHOXSDNVBXWDW-NRFANRHFSA-N 2 2 335.451 3.494 20 30 EGEDLP COCc1cccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000181513167 234212890 /nfs/dbraw/zinc/21/28/90/234212890.db2.gz QWBLLFDEWSWCOH-UHFFFAOYSA-N 2 2 349.478 3.459 20 30 EGEDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000377657295 169055594 /nfs/dbraw/zinc/05/55/94/169055594.db2.gz XMCVDHOEXMRGOF-UHFFFAOYSA-N 2 2 325.387 3.444 20 30 EGEDLP Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1C#N ZINC000365234672 157096717 /nfs/dbraw/zinc/09/67/17/157096717.db2.gz PBCWSFGLMUYXDW-QFIPXVFZSA-N 2 2 348.494 3.385 20 30 EGEDLP Cn1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1C#N ZINC000365234672 157096724 /nfs/dbraw/zinc/09/67/24/157096724.db2.gz PBCWSFGLMUYXDW-QFIPXVFZSA-N 2 2 348.494 3.385 20 30 EGEDLP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1C#N ZINC000365234672 157096727 /nfs/dbraw/zinc/09/67/27/157096727.db2.gz PBCWSFGLMUYXDW-QFIPXVFZSA-N 2 2 348.494 3.385 20 30 EGEDLP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1C#N ZINC000365234672 157096729 /nfs/dbraw/zinc/09/67/29/157096729.db2.gz PBCWSFGLMUYXDW-QFIPXVFZSA-N 2 2 348.494 3.385 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3COc4ccccc43)CC2)cc1 ZINC000290292035 268065016 /nfs/dbraw/zinc/06/50/16/268065016.db2.gz MXIMAISWMFEHES-IBGZPJMESA-N 2 2 347.462 3.288 20 30 EGEDLP N#Cc1ccc2c(c1)CCCC[C@H]2Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000564649706 316181773 /nfs/dbraw/zinc/18/17/73/316181773.db2.gz OTVMTVWKOUUEEX-HXUWFJFHSA-N 2 2 347.466 3.242 20 30 EGEDLP C[N@H+](Cc1ccc(Br)cc1C#N)C[C@@H]1CCC[NH+](C)C1 ZINC000347055512 457207947 /nfs/dbraw/zinc/20/79/47/457207947.db2.gz NCRJQNMSTPGXBX-CYBMUJFWSA-N 2 2 336.277 3.094 20 30 EGEDLP C[NH+](Cc1ccc(Br)cc1C#N)C[C@@H]1CCC[N@H+](C)C1 ZINC000347055512 457207952 /nfs/dbraw/zinc/20/79/52/457207952.db2.gz NCRJQNMSTPGXBX-CYBMUJFWSA-N 2 2 336.277 3.094 20 30 EGEDLP C[NH+](Cc1ccc(Br)cc1C#N)C[C@@H]1CCC[N@@H+](C)C1 ZINC000347055512 457207961 /nfs/dbraw/zinc/20/79/61/457207961.db2.gz NCRJQNMSTPGXBX-CYBMUJFWSA-N 2 2 336.277 3.094 20 30 EGEDLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000066236553 454670440 /nfs/dbraw/zinc/67/04/40/454670440.db2.gz QLNPWBXQPNUCQO-UHFFFAOYSA-N 2 2 347.466 3.484 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000106245394 454688038 /nfs/dbraw/zinc/68/80/38/454688038.db2.gz HMTZAJVDYYFYKC-UHFFFAOYSA-N 2 2 339.277 3.285 20 30 EGEDLP C=C(C)COc1cc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1OC ZINC000151103414 454938341 /nfs/dbraw/zinc/93/83/41/454938341.db2.gz ZLQAHWSFAQGPNO-RDJZCZTQSA-N 2 2 330.472 3.365 20 30 EGEDLP C=C(C)COc1cc(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)ccc1OC ZINC000151103414 454938346 /nfs/dbraw/zinc/93/83/46/454938346.db2.gz ZLQAHWSFAQGPNO-RDJZCZTQSA-N 2 2 330.472 3.365 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OC)cc2OC(F)F)CC1 ZINC000114766321 454977328 /nfs/dbraw/zinc/97/73/28/454977328.db2.gz QJGLPABOWSZTJM-UHFFFAOYSA-N 2 2 340.414 3.427 20 30 EGEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000249386517 455752662 /nfs/dbraw/zinc/75/26/62/455752662.db2.gz RDPSJDDFIABPRC-FXAWDEMLSA-N 2 2 348.918 3.418 20 30 EGEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000249386517 455752666 /nfs/dbraw/zinc/75/26/66/455752666.db2.gz RDPSJDDFIABPRC-FXAWDEMLSA-N 2 2 348.918 3.418 20 30 EGEDLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](CCC#N)c2ccccc2)CC1 ZINC000271826336 455775738 /nfs/dbraw/zinc/77/57/38/455775738.db2.gz PWKKHHNRBFESOW-LJQANCHMSA-N 2 2 343.471 3.039 20 30 EGEDLP C[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278702178 455845117 /nfs/dbraw/zinc/84/51/17/455845117.db2.gz TVTVCNZTADIGMY-QFIPXVFZSA-N 2 2 349.478 3.281 20 30 EGEDLP C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278702178 455845123 /nfs/dbraw/zinc/84/51/23/455845123.db2.gz TVTVCNZTADIGMY-QFIPXVFZSA-N 2 2 349.478 3.281 20 30 EGEDLP C[NH+](Cc1ccc(C#N)cc1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278702178 455845127 /nfs/dbraw/zinc/84/51/27/455845127.db2.gz TVTVCNZTADIGMY-QFIPXVFZSA-N 2 2 349.478 3.281 20 30 EGEDLP C[NH+](Cc1ccc(C#N)cc1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000278702178 455845132 /nfs/dbraw/zinc/84/51/32/455845132.db2.gz TVTVCNZTADIGMY-QFIPXVFZSA-N 2 2 349.478 3.281 20 30 EGEDLP Cc1ncc(CO)c(/C=[NH+]/C2CCC([NH+]3CCC(C)CC3)CC2)c1O ZINC000269734669 455852581 /nfs/dbraw/zinc/85/25/81/455852581.db2.gz ZXGBVSMIBJEXRM-WSDLNYQXSA-N 2 2 345.487 3.050 20 30 EGEDLP CCc1cccc(CC)c1NC(=[NH2+])NCc1cn2c([nH+]1)CCCC2 ZINC000261986161 455982712 /nfs/dbraw/zinc/98/27/12/455982712.db2.gz JYXJJNSAEJCVSZ-UHFFFAOYSA-N 2 2 325.460 3.271 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)Cc2cc(OC)c(OC)cc2C)CC1 ZINC000337373504 456349645 /nfs/dbraw/zinc/34/96/45/456349645.db2.gz FDLKUMQAMJVXHI-INIZCTEOSA-N 2 2 332.488 3.183 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[C@H](C(=O)OCC)c3ccccc32)CC1 ZINC000283506160 456792970 /nfs/dbraw/zinc/79/29/70/456792970.db2.gz ZCUBIYDFHMNEJA-PMACEKPBSA-N 2 2 342.483 3.408 20 30 EGEDLP CCn1cc[nH+]c1[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCOCC1 ZINC000329152478 456844285 /nfs/dbraw/zinc/84/42/85/456844285.db2.gz ARJKXVQMFWFRSP-BHYGNILZSA-N 2 2 348.491 3.058 20 30 EGEDLP CCn1cc[nH+]c1[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCOCC1 ZINC000329152478 456844290 /nfs/dbraw/zinc/84/42/90/456844290.db2.gz ARJKXVQMFWFRSP-BHYGNILZSA-N 2 2 348.491 3.058 20 30 EGEDLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329821808 456946073 /nfs/dbraw/zinc/94/60/73/456946073.db2.gz APYAFAAHSKEULX-ZNMIVQPWSA-N 2 2 332.492 3.325 20 30 EGEDLP Cc1csc(C2([NH2+]CC(=O)NC3CC[NH+](C4CC4)CC3)CCC2)n1 ZINC000330272585 457018329 /nfs/dbraw/zinc/01/83/29/457018329.db2.gz XTIBIPMFCVCBQI-UHFFFAOYSA-N 2 2 348.516 3.004 20 30 EGEDLP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CC(=O)NC3CCCC3)C1)CCCC2 ZINC000330342547 457031903 /nfs/dbraw/zinc/03/19/03/457031903.db2.gz BAWGSXSSGSALLT-INIZCTEOSA-N 2 2 330.476 3.216 20 30 EGEDLP CC(C)[C@@H](C[NH2+]Cc1cc(C#N)n(C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000359962766 457173368 /nfs/dbraw/zinc/17/33/68/457173368.db2.gz FPVNYOBGFNNTLF-OAQYLSRUSA-N 2 2 336.483 3.069 20 30 EGEDLP CC(C)[C@@H](C[NH2+]Cc1cc(C#N)n(C)c1)[N@H+]1CCc2ccccc2C1 ZINC000359962766 457173373 /nfs/dbraw/zinc/17/33/73/457173373.db2.gz FPVNYOBGFNNTLF-OAQYLSRUSA-N 2 2 336.483 3.069 20 30 EGEDLP C[N@@H+](Cc1ccc(Br)cc1C#N)C[C@@H]1CCC[NH+](C)C1 ZINC000347055512 457207937 /nfs/dbraw/zinc/20/79/37/457207937.db2.gz NCRJQNMSTPGXBX-CYBMUJFWSA-N 2 2 336.277 3.094 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2nnn(-c3ccccc3)c2C)CC1 ZINC000361215023 457648212 /nfs/dbraw/zinc/64/82/12/457648212.db2.gz HNOGODSNVNZGIQ-MRXNPFEDSA-N 2 2 339.487 3.267 20 30 EGEDLP Cc1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1C#N ZINC000443997799 457837521 /nfs/dbraw/zinc/83/75/21/457837521.db2.gz RUVFUAFHGJLMFP-JOCHJYFZSA-N 2 2 349.478 3.247 20 30 EGEDLP Cc1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1C#N ZINC000443997799 457837529 /nfs/dbraw/zinc/83/75/29/457837529.db2.gz RUVFUAFHGJLMFP-JOCHJYFZSA-N 2 2 349.478 3.247 20 30 EGEDLP CC1(C#N)CCC([NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000423527998 458452477 /nfs/dbraw/zinc/45/24/77/458452477.db2.gz NGZVGGPLUOPIOO-UHFFFAOYSA-N 3 2 340.515 3.042 20 30 EGEDLP C[C@H]1COCC[N@@H+]1C1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000576898603 458943177 /nfs/dbraw/zinc/94/31/77/458943177.db2.gz JSPKUGPCUBXNCC-KRWDZBQOSA-N 2 2 341.499 3.173 20 30 EGEDLP C[C@H]1COCC[N@H+]1C1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000576898603 458943183 /nfs/dbraw/zinc/94/31/83/458943183.db2.gz JSPKUGPCUBXNCC-KRWDZBQOSA-N 2 2 341.499 3.173 20 30 EGEDLP CCSC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000594986792 459205609 /nfs/dbraw/zinc/20/56/09/459205609.db2.gz KFYZSCOHAIPXQT-UHFFFAOYSA-N 2 2 329.513 3.398 20 30 EGEDLP C[N@H+](CCC#N)C[C@@H](O)CNc1ccc([NH2+]C2CCCCC2)cc1 ZINC000591773797 459432643 /nfs/dbraw/zinc/43/26/43/459432643.db2.gz XZVSQYAAARKYPZ-IBGZPJMESA-N 2 2 330.476 3.049 20 30 EGEDLP C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc([NH2+]C2CCCCC2)cc1 ZINC000591773797 459432647 /nfs/dbraw/zinc/43/26/47/459432647.db2.gz XZVSQYAAARKYPZ-IBGZPJMESA-N 2 2 330.476 3.049 20 30 EGEDLP CC[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CCO1 ZINC000593691869 459953077 /nfs/dbraw/zinc/95/30/77/459953077.db2.gz RENOFVIEFAXTED-VQTJNVASSA-N 2 2 327.472 3.070 20 30 EGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccc(F)cn1 ZINC000593719387 459962556 /nfs/dbraw/zinc/96/25/56/459962556.db2.gz CQDQSECCPFWTGS-OAHLLOKOSA-N 2 2 338.430 3.408 20 30 EGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@@]1(C)CCCO1 ZINC000593721914 459963725 /nfs/dbraw/zinc/96/37/25/459963725.db2.gz NQGPAOXFCLSYHG-OXQOHEQNSA-N 2 2 327.472 3.070 20 30 EGEDLP Cc1ccc([C@@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)[NH+](C)C)cc1 ZINC000602524608 459983639 /nfs/dbraw/zinc/98/36/39/459983639.db2.gz NFQVJRBFUMVPAK-IEBWSBKVSA-N 2 2 329.488 3.286 20 30 EGEDLP CC(C)Cc1ccc([C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)[NH+](C)C)cc1 ZINC000598728204 460008267 /nfs/dbraw/zinc/00/82/67/460008267.db2.gz PBBVQFPYNKWDCJ-PMACEKPBSA-N 2 2 345.531 3.378 20 30 EGEDLP N#CCC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000601964624 460964407 /nfs/dbraw/zinc/96/44/07/460964407.db2.gz JMZZYTMMHCEQML-FCHUYYIVSA-N 2 2 349.478 3.258 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652354350 461150269 /nfs/dbraw/zinc/15/02/69/461150269.db2.gz URLFNSDYHZAIJA-DOTOQJQBSA-N 2 2 347.528 3.353 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652354350 461150279 /nfs/dbraw/zinc/15/02/79/461150279.db2.gz URLFNSDYHZAIJA-DOTOQJQBSA-N 2 2 347.528 3.353 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OCCOC)c(OC)c2)CC1 ZINC000177908490 526454580 /nfs/dbraw/zinc/45/45/80/526454580.db2.gz UKCRTDKFWLRDLY-MRXNPFEDSA-N 2 2 348.487 3.021 20 30 EGEDLP CO[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)[N@H+](C)C1 ZINC000329008598 547488883 /nfs/dbraw/zinc/48/88/83/547488883.db2.gz YWHBYHKTXJZTQG-YOEHRIQHSA-N 2 2 342.443 3.070 20 30 EGEDLP CO[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)[N@@H+](C)C1 ZINC000329008598 547488888 /nfs/dbraw/zinc/48/88/88/547488888.db2.gz YWHBYHKTXJZTQG-YOEHRIQHSA-N 2 2 342.443 3.070 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000177912458 1294701382 /nfs/dbraw/zinc/70/13/82/1294701382.db2.gz GTDRSRKYRXSFDD-INIZCTEOSA-N 2 2 327.472 3.114 20 30 EGEDLP CCc1cccc(NC(=[NH2+])NC[C@H](c2cccc(OC)c2)[NH+](C)C)c1 ZINC000303771617 1296850571 /nfs/dbraw/zinc/85/05/71/1296850571.db2.gz CTKRYBGRPSXTQY-LJQANCHMSA-N 2 2 340.471 3.287 20 30 EGEDLP N#Cc1ccc(N2CC[NH+]([C@H]3CC[NH2+][C@@H](c4ccccc4)C3)CC2)cc1 ZINC000873265024 1297397907 /nfs/dbraw/zinc/39/79/07/1297397907.db2.gz JXYBOSMKGOGEPC-FCHUYYIVSA-N 2 2 346.478 3.174 20 30 EGEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCc2ccccc2Cl)cc1 ZINC000748100257 1298930629 /nfs/dbraw/zinc/93/06/29/1298930629.db2.gz ITTQBGACFCOSJK-UHFFFAOYSA-N 2 2 331.847 3.281 20 30 EGEDLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878159722 1299787034 /nfs/dbraw/zinc/78/70/34/1299787034.db2.gz SKWWYKXCTYFONK-PZJWPPBQSA-N 2 2 341.499 3.091 20 30 EGEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878159722 1299787038 /nfs/dbraw/zinc/78/70/38/1299787038.db2.gz SKWWYKXCTYFONK-PZJWPPBQSA-N 2 2 341.499 3.091 20 30 EGEDLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878159722 1299787040 /nfs/dbraw/zinc/78/70/40/1299787040.db2.gz SKWWYKXCTYFONK-PZJWPPBQSA-N 2 2 341.499 3.091 20 30 EGEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878159722 1299787047 /nfs/dbraw/zinc/78/70/47/1299787047.db2.gz SKWWYKXCTYFONK-PZJWPPBQSA-N 2 2 341.499 3.091 20 30 EGEDLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(C#N)ccc2Br)C1 ZINC000894495849 1308921521 /nfs/dbraw/zinc/92/15/21/1308921521.db2.gz LLJIPEPJAWHAIW-RHSMWYFYSA-N 2 2 348.288 3.237 20 30 EGEDLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(C#N)ccc2Br)C1 ZINC000894495849 1308921532 /nfs/dbraw/zinc/92/15/32/1308921532.db2.gz LLJIPEPJAWHAIW-RHSMWYFYSA-N 2 2 348.288 3.237 20 30 EGEDLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc(C#N)ccc2Br)C1 ZINC000894495849 1308921537 /nfs/dbraw/zinc/92/15/37/1308921537.db2.gz LLJIPEPJAWHAIW-RHSMWYFYSA-N 2 2 348.288 3.237 20 30 EGEDLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc(C#N)ccc2Br)C1 ZINC000894495849 1308921547 /nfs/dbraw/zinc/92/15/47/1308921547.db2.gz LLJIPEPJAWHAIW-RHSMWYFYSA-N 2 2 348.288 3.237 20 30 EGEDLP C#Cc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000809653638 1317857195 /nfs/dbraw/zinc/85/71/95/1317857195.db2.gz BKOXIKPCKRXDIV-QFIPXVFZSA-N 2 2 334.463 3.049 20 30 EGEDLP C#Cc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000809653638 1317857203 /nfs/dbraw/zinc/85/72/03/1317857203.db2.gz BKOXIKPCKRXDIV-QFIPXVFZSA-N 2 2 334.463 3.049 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000813327028 1318533975 /nfs/dbraw/zinc/53/39/75/1318533975.db2.gz YOSPZKDUVIEXIU-GHTZIAJQSA-N 2 2 327.516 3.280 20 30 EGEDLP C#Cc1cccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1 ZINC000825226894 1320319790 /nfs/dbraw/zinc/31/97/90/1320319790.db2.gz NVYXADYIUZYQBQ-UHFFFAOYSA-N 2 2 333.479 3.493 20 30 EGEDLP CN(CCC#N)c1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000848575567 1321978848 /nfs/dbraw/zinc/97/88/48/1321978848.db2.gz SNPZOJUCEQQYAF-VQTJNVASSA-N 2 2 326.488 3.143 20 30 EGEDLP CN(CCC#N)c1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000848575567 1321978852 /nfs/dbraw/zinc/97/88/52/1321978852.db2.gz SNPZOJUCEQQYAF-VQTJNVASSA-N 2 2 326.488 3.143 20 30 EGEDLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(C#N)ccc2Br)C1 ZINC000921625737 1322366099 /nfs/dbraw/zinc/36/60/99/1322366099.db2.gz ZRYNPMFXIJSYIA-CQSZACIVSA-N 2 2 336.277 3.142 20 30 EGEDLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(C#N)ccc2Br)C1 ZINC000921625737 1322366104 /nfs/dbraw/zinc/36/61/04/1322366104.db2.gz ZRYNPMFXIJSYIA-CQSZACIVSA-N 2 2 336.277 3.142 20 30 EGEDLP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001024510822 1323459553 /nfs/dbraw/zinc/45/95/53/1323459553.db2.gz YFPZKCVOVIXJNG-MRXNPFEDSA-N 2 2 326.444 3.113 20 30 EGEDLP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001024510822 1323459557 /nfs/dbraw/zinc/45/95/57/1323459557.db2.gz YFPZKCVOVIXJNG-MRXNPFEDSA-N 2 2 326.444 3.113 20 30 EGEDLP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001024576080 1323514106 /nfs/dbraw/zinc/51/41/06/1323514106.db2.gz PHQNTIIYXJAVPU-IBGZPJMESA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001024576080 1323514112 /nfs/dbraw/zinc/51/41/12/1323514112.db2.gz PHQNTIIYXJAVPU-IBGZPJMESA-N 2 2 338.455 3.033 20 30 EGEDLP C=CCC[N@H+]1CCC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948552657 1333571061 /nfs/dbraw/zinc/57/10/61/1333571061.db2.gz AENSMEQTCSTIAF-INIZCTEOSA-N 2 2 326.444 3.066 20 30 EGEDLP C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948552657 1333571065 /nfs/dbraw/zinc/57/10/65/1333571065.db2.gz AENSMEQTCSTIAF-INIZCTEOSA-N 2 2 326.444 3.066 20 30 EGEDLP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034272180 1342362840 /nfs/dbraw/zinc/36/28/40/1342362840.db2.gz SDFNROWFGWVOBR-MRXNPFEDSA-N 2 2 326.444 3.113 20 30 EGEDLP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034272180 1342362843 /nfs/dbraw/zinc/36/28/43/1342362843.db2.gz SDFNROWFGWVOBR-MRXNPFEDSA-N 2 2 326.444 3.113 20 30 EGEDLP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001034767968 1342747357 /nfs/dbraw/zinc/74/73/57/1342747357.db2.gz BNORATFOOULIRB-IYARVYRRSA-N 2 2 338.455 3.079 20 30 EGEDLP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)c1cc3c[nH+]ccc3[nH]1)CC2 ZINC001035734252 1343160408 /nfs/dbraw/zinc/16/04/08/1343160408.db2.gz SDRGRGRMZBRBTH-UHFFFAOYSA-N 2 2 338.455 3.067 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039208255 1344921016 /nfs/dbraw/zinc/92/10/16/1344921016.db2.gz BOBAIMBJXXFKDL-HKUYNNGSSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039208255 1344921019 /nfs/dbraw/zinc/92/10/19/1344921019.db2.gz BOBAIMBJXXFKDL-HKUYNNGSSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039208255 1344921022 /nfs/dbraw/zinc/92/10/22/1344921022.db2.gz BOBAIMBJXXFKDL-HKUYNNGSSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039208255 1344921026 /nfs/dbraw/zinc/92/10/26/1344921026.db2.gz BOBAIMBJXXFKDL-HKUYNNGSSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039222228 1344939599 /nfs/dbraw/zinc/93/95/99/1344939599.db2.gz DLMVVAJALPFHAE-ROUUACIJSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039222228 1344939600 /nfs/dbraw/zinc/93/96/00/1344939600.db2.gz DLMVVAJALPFHAE-ROUUACIJSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001040868829 1345590654 /nfs/dbraw/zinc/59/06/54/1345590654.db2.gz ZEKVGRIHRKVZEZ-GOSISDBHSA-N 2 2 344.503 3.115 20 30 EGEDLP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001052837098 1348695692 /nfs/dbraw/zinc/69/56/92/1348695692.db2.gz SYDDJPDTNWWQGX-SFHVURJKSA-N 2 2 338.455 3.033 20 30 EGEDLP C=CCC[N@H+]1CCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001052837098 1348695693 /nfs/dbraw/zinc/69/56/93/1348695693.db2.gz SYDDJPDTNWWQGX-SFHVURJKSA-N 2 2 338.455 3.033 20 30 EGEDLP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001184651911 1387503101 /nfs/dbraw/zinc/50/31/01/1387503101.db2.gz ISMVMABWGNWZFC-HOTGVXAUSA-N 2 2 340.471 3.217 20 30 EGEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001109772126 1367314060 /nfs/dbraw/zinc/31/40/60/1367314060.db2.gz GCBKYHWEGOCKFD-RDGPPVDQSA-N 2 2 344.503 3.302 20 30 EGEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001109772126 1367314065 /nfs/dbraw/zinc/31/40/65/1367314065.db2.gz GCBKYHWEGOCKFD-RDGPPVDQSA-N 2 2 344.503 3.302 20 30 EGEDLP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001110506461 1367792159 /nfs/dbraw/zinc/79/21/59/1367792159.db2.gz SHPPYWVGBOSFSW-ZACQAIPSSA-N 2 2 332.492 3.034 20 30 EGEDLP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001110506461 1367792161 /nfs/dbraw/zinc/79/21/61/1367792161.db2.gz SHPPYWVGBOSFSW-ZACQAIPSSA-N 2 2 332.492 3.034 20 30 EGEDLP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001111129561 1368163536 /nfs/dbraw/zinc/16/35/36/1368163536.db2.gz WWEFMTCTGQFZKG-OWYHZJEWSA-N 2 2 346.519 3.280 20 30 EGEDLP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001111129561 1368163539 /nfs/dbraw/zinc/16/35/39/1368163539.db2.gz WWEFMTCTGQFZKG-OWYHZJEWSA-N 2 2 346.519 3.280 20 30 EGEDLP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001111129561 1368163540 /nfs/dbraw/zinc/16/35/40/1368163540.db2.gz WWEFMTCTGQFZKG-OWYHZJEWSA-N 2 2 346.519 3.280 20 30 EGEDLP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001111129561 1368163542 /nfs/dbraw/zinc/16/35/42/1368163542.db2.gz WWEFMTCTGQFZKG-OWYHZJEWSA-N 2 2 346.519 3.280 20 30 EGEDLP CCCCCCC[NH+]1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001113071869 1369180624 /nfs/dbraw/zinc/18/06/24/1369180624.db2.gz ZKHIVKZGCTUQFY-UHFFFAOYSA-N 2 2 328.460 3.063 20 30 EGEDLP C=CCCCCC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001113724046 1369586668 /nfs/dbraw/zinc/58/66/68/1369586668.db2.gz DLPTVGLUIOFFHN-UHFFFAOYSA-N 2 2 343.515 3.009 20 30 EGEDLP C=CCCCCC[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001113724046 1369586677 /nfs/dbraw/zinc/58/66/77/1369586677.db2.gz DLPTVGLUIOFFHN-UHFFFAOYSA-N 2 2 343.515 3.009 20 30 EGEDLP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C12CCC2 ZINC001203242832 1370037215 /nfs/dbraw/zinc/03/72/15/1370037215.db2.gz XKNLDSSUBNTTTN-ZWKOTPCHSA-N 2 2 344.503 3.037 20 30 EGEDLP CC#CC[NH2+]C1(CNC(=O)c2c(C)cc(C)[nH+]c2C)CCCCC1 ZINC001115640560 1370632196 /nfs/dbraw/zinc/63/21/96/1370632196.db2.gz AIXGHKDCHAJUDD-UHFFFAOYSA-N 2 2 327.472 3.052 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001205512874 1370777334 /nfs/dbraw/zinc/77/73/34/1370777334.db2.gz VTNVZGQVADRPJK-INIZCTEOSA-N 2 2 346.519 3.110 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001205522181 1370779947 /nfs/dbraw/zinc/77/99/47/1370779947.db2.gz QRBGSKYWNHQQOJ-HNNXBMFYSA-N 2 2 340.471 3.359 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001208559573 1371817589 /nfs/dbraw/zinc/81/75/89/1371817589.db2.gz RZBQJZOHVSMWQS-SOLBZPMBSA-N 2 2 346.519 3.237 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001208559573 1371817591 /nfs/dbraw/zinc/81/75/91/1371817591.db2.gz RZBQJZOHVSMWQS-SOLBZPMBSA-N 2 2 346.519 3.237 20 30 EGEDLP CCCCCCC[NH2+]C1CC2(CC(NC(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001121212499 1371893591 /nfs/dbraw/zinc/89/35/91/1371893591.db2.gz MIVGQCBYAQHWQF-UHFFFAOYSA-N 2 2 346.519 3.330 20 30 EGEDLP CCCCCCC[NH2+]C1CC2(CC(NC(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001121212499 1371893597 /nfs/dbraw/zinc/89/35/97/1371893597.db2.gz MIVGQCBYAQHWQF-UHFFFAOYSA-N 2 2 346.519 3.330 20 30 EGEDLP C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001121847911 1372101338 /nfs/dbraw/zinc/10/13/38/1372101338.db2.gz IBASLLNMPDMWNX-HQOORZMVSA-N 2 2 344.503 3.206 20 30 EGEDLP CCCCCCCC[C@@H]([NH3+])C(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001122602282 1372282241 /nfs/dbraw/zinc/28/22/41/1372282241.db2.gz OPWNGCLAGAAAJK-QGZVFWFLSA-N 2 2 334.508 3.204 20 30 EGEDLP C=CCC[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001234313211 1376804327 /nfs/dbraw/zinc/80/43/27/1376804327.db2.gz BMOVTMGCZLYKBE-YJBOKZPZSA-N 2 2 340.471 3.144 20 30 EGEDLP C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001234313211 1376804332 /nfs/dbraw/zinc/80/43/32/1376804332.db2.gz BMOVTMGCZLYKBE-YJBOKZPZSA-N 2 2 340.471 3.144 20 30 EGEDLP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135096892 1376894732 /nfs/dbraw/zinc/89/47/32/1376894732.db2.gz CSCSRJCAPSBVQN-GJZGRUSLSA-N 2 2 346.862 3.111 20 30 EGEDLP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135840100 1377228469 /nfs/dbraw/zinc/22/84/69/1377228469.db2.gz CIPFPDKDTAOTAB-CABCVRRESA-N 2 2 346.862 3.111 20 30 EGEDLP N#CCOc1ccc(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)cc1 ZINC001137117013 1377481175 /nfs/dbraw/zinc/48/11/75/1377481175.db2.gz YUNLAKSMOWYAGA-UHFFFAOYSA-N 2 2 339.483 3.429 20 30 EGEDLP N#CCOc1ccc(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)cc1 ZINC001137117013 1377481177 /nfs/dbraw/zinc/48/11/77/1377481177.db2.gz YUNLAKSMOWYAGA-UHFFFAOYSA-N 2 2 339.483 3.429 20 30 EGEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@@H]21 ZINC001139405847 1377880013 /nfs/dbraw/zinc/88/00/13/1377880013.db2.gz CYBSINFVTMQJQQ-CTNGQTDRSA-N 2 2 332.451 3.146 20 30 EGEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@@H]21 ZINC001139405847 1377880015 /nfs/dbraw/zinc/88/00/15/1377880015.db2.gz CYBSINFVTMQJQQ-CTNGQTDRSA-N 2 2 332.451 3.146 20 30 EGEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@@H]21 ZINC001139405847 1377880019 /nfs/dbraw/zinc/88/00/19/1377880019.db2.gz CYBSINFVTMQJQQ-CTNGQTDRSA-N 2 2 332.451 3.146 20 30 EGEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@@H]21 ZINC001139405847 1377880021 /nfs/dbraw/zinc/88/00/21/1377880021.db2.gz CYBSINFVTMQJQQ-CTNGQTDRSA-N 2 2 332.451 3.146 20 30 EGEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccccc2C(F)F)CC1 ZINC001139801792 1377952038 /nfs/dbraw/zinc/95/20/38/1377952038.db2.gz DSNTXZSLACHNOM-UHFFFAOYSA-N 2 2 349.469 3.416 20 30 EGEDLP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001158949020 1381479898 /nfs/dbraw/zinc/47/98/98/1381479898.db2.gz FBHWRROETMXXOF-RBUKOAKNSA-N 2 2 346.519 3.331 20 30 EGEDLP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001158949020 1381479900 /nfs/dbraw/zinc/47/99/00/1381479900.db2.gz FBHWRROETMXXOF-RBUKOAKNSA-N 2 2 346.519 3.331 20 30 EGEDLP C=CC[N@H+]1CCC[C@H]1CNc1[nH+]ccc2cc(OC)c(OC)cc21 ZINC001160953429 1382250441 /nfs/dbraw/zinc/25/04/41/1382250441.db2.gz ASJMNJFJOSWMIS-HNNXBMFYSA-N 2 2 327.428 3.314 20 30 EGEDLP C=CC[N@@H+]1CCC[C@H]1CNc1[nH+]ccc2cc(OC)c(OC)cc21 ZINC001160953429 1382250445 /nfs/dbraw/zinc/25/04/45/1382250445.db2.gz ASJMNJFJOSWMIS-HNNXBMFYSA-N 2 2 327.428 3.314 20 30 EGEDLP C=CCCCCC[NH2+]CCCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001168363499 1383883267 /nfs/dbraw/zinc/88/32/67/1383883267.db2.gz HDPNDJAEELROHB-UHFFFAOYSA-N 2 2 342.487 3.028 20 30 EGEDLP C=CCCCCC[NH2+]CC1(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001168463792 1383912855 /nfs/dbraw/zinc/91/28/55/1383912855.db2.gz WRHBRDDIDMGILN-UHFFFAOYSA-N 2 2 346.519 3.286 20 30 EGEDLP C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001171179969 1384462185 /nfs/dbraw/zinc/46/21/85/1384462185.db2.gz ZYXZVAKVVJFXRK-GOSISDBHSA-N 2 2 349.478 3.111 20 30 EGEDLP COC(=O)c1ccc(C[NH+]2CCC([NH2+][C@H](C)CCCC#N)CC2)cc1 ZINC001172488764 1384804164 /nfs/dbraw/zinc/80/41/64/1384804164.db2.gz OJOMHXKUWOXBQN-MRXNPFEDSA-N 2 2 343.471 3.110 20 30 EGEDLP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001177375939 1385933991 /nfs/dbraw/zinc/93/39/91/1385933991.db2.gz RRZZJHJDHGMOMU-UHFFFAOYSA-N 2 2 341.499 3.252 20 30 EGEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H]1C ZINC001178956915 1386359598 /nfs/dbraw/zinc/35/95/98/1386359598.db2.gz DRXIOOFCIYPKSA-BZSNNMDCSA-N 2 2 332.492 3.016 20 30 EGEDLP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H]1C ZINC001179557399 1386513817 /nfs/dbraw/zinc/51/38/17/1386513817.db2.gz JUOUOFITCODENB-MLHJIOFPSA-N 2 2 346.519 3.073 20 30 EGEDLP CCCCCCC[NH2+]C[C@]1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001181687958 1387039116 /nfs/dbraw/zinc/03/91/16/1387039116.db2.gz JKMKERTVDQSPFL-YLJYHZDGSA-N 2 2 348.535 3.387 20 30 EGEDLP CCCCCCC[NH2+]C[C@]1(C)CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001181687958 1387039121 /nfs/dbraw/zinc/03/91/21/1387039121.db2.gz JKMKERTVDQSPFL-YLJYHZDGSA-N 2 2 348.535 3.387 20 30 EGEDLP C=CCCC[C@H]([NH3+])C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC001341890294 1390545374 /nfs/dbraw/zinc/54/53/74/1390545374.db2.gz XQLMQNLSNMSTGV-KRWDZBQOSA-N 2 2 336.439 3.224 20 30 EGEDLP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001342754948 1390650095 /nfs/dbraw/zinc/65/00/95/1390650095.db2.gz NFTFLHOATYNHEY-HOTGVXAUSA-N 2 2 332.492 3.028 20 30 EGEDLP C=C(Cl)C[NH2+]C[C@@H](CCCC)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001717530406 1421466924 /nfs/dbraw/zinc/46/69/24/1421466924.db2.gz OBUATBFUEYCDJO-CQSZACIVSA-N 2 2 334.851 3.194 20 30 EGEDLP CCCCCCC[NH+]1CCC2(C[C@H]2NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001752432304 1440178879 /nfs/dbraw/zinc/17/88/79/1440178879.db2.gz SVGPNIJKKWGUMY-GOSISDBHSA-N 2 2 346.519 3.202 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001752802393 1440215233 /nfs/dbraw/zinc/21/52/33/1440215233.db2.gz GAUVSSSTAUXWMG-IAGOWNOFSA-N 2 2 340.471 3.131 20 30 EGEDLP C=CCCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001752835811 1440227680 /nfs/dbraw/zinc/22/76/80/1440227680.db2.gz IAYAZRSWLNOSHO-IRXDYDNUSA-N 2 2 340.471 3.131 20 30 EGEDLP C=CCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001752835811 1440227681 /nfs/dbraw/zinc/22/76/81/1440227681.db2.gz IAYAZRSWLNOSHO-IRXDYDNUSA-N 2 2 340.471 3.131 20 30 EGEDLP C=C(C)CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001754346562 1440589836 /nfs/dbraw/zinc/58/98/36/1440589836.db2.gz QVMNTVPSKGGSFD-SJORKVTESA-N 2 2 340.471 3.179 20 30 EGEDLP C=C(C)CC[NH2+]C[C@H](NC(=O)c1cccc2[nH+]ccn21)C1CCCC1 ZINC001754651781 1440652160 /nfs/dbraw/zinc/65/21/60/1440652160.db2.gz UELWZXZLQXCNIW-KRWDZBQOSA-N 2 2 340.471 3.179 20 30 EGEDLP C=C(C)CC[NH2+]C1CC(N(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001755857504 1440935943 /nfs/dbraw/zinc/93/59/43/1440935943.db2.gz QOVADGOMJDXMRG-ABHNRTSZSA-N 2 2 332.492 3.016 20 30 EGEDLP C[C@@]1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCS1 ZINC000181892951 234369730 /nfs/dbraw/zinc/36/97/30/234369730.db2.gz RLIRFIZYGQWCAC-IBGZPJMESA-N 2 2 329.513 3.398 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272700883 201258159 /nfs/dbraw/zinc/25/81/59/201258159.db2.gz YOXNPDGKLOUXLL-ICSRJNTNSA-N 3 2 327.516 3.137 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272700883 201258161 /nfs/dbraw/zinc/25/81/61/201258161.db2.gz YOXNPDGKLOUXLL-ICSRJNTNSA-N 3 2 327.516 3.137 20 30 EGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277116984 201300647 /nfs/dbraw/zinc/30/06/47/201300647.db2.gz HNMRAMYCXUDGBE-SJORKVTESA-N 2 2 349.544 3.067 20 30 EGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277116984 201300650 /nfs/dbraw/zinc/30/06/50/201300650.db2.gz HNMRAMYCXUDGBE-SJORKVTESA-N 2 2 349.544 3.067 20 30 EGEDLP N#Cc1cc(F)c(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)c(F)c1 ZINC000351562927 144279732 /nfs/dbraw/zinc/27/97/32/144279732.db2.gz DKBILWYXNDWIAN-UHFFFAOYSA-N 2 2 325.322 3.088 20 30 EGEDLP Cc1cc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC000119562617 152214501 /nfs/dbraw/zinc/21/45/01/152214501.db2.gz HNQHPOMBWCSSPM-UHFFFAOYSA-N 2 2 349.438 3.002 20 30 EGEDLP Cc1cc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC000119562617 152214504 /nfs/dbraw/zinc/21/45/04/152214504.db2.gz HNQHPOMBWCSSPM-UHFFFAOYSA-N 2 2 349.438 3.002 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]3OC(F)F)CC2)cc1 ZINC000337528598 154398943 /nfs/dbraw/zinc/39/89/43/154398943.db2.gz BYYLPWZPSPBXBA-MSOLQXFVSA-N 2 2 349.425 3.273 20 30 EGEDLP C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249008327 163050657 /nfs/dbraw/zinc/05/06/57/163050657.db2.gz ZTNLESOEKWIOMB-GCJKJVERSA-N 2 2 349.478 3.188 20 30 EGEDLP C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249008327 163050658 /nfs/dbraw/zinc/05/06/58/163050658.db2.gz ZTNLESOEKWIOMB-GCJKJVERSA-N 2 2 349.478 3.188 20 30 EGEDLP C[C@H](c1cccc(C#N)c1)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249008327 163050660 /nfs/dbraw/zinc/05/06/60/163050660.db2.gz ZTNLESOEKWIOMB-GCJKJVERSA-N 2 2 349.478 3.188 20 30 EGEDLP C[C@H](c1cccc(C#N)c1)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249008327 163050662 /nfs/dbraw/zinc/05/06/62/163050662.db2.gz ZTNLESOEKWIOMB-GCJKJVERSA-N 2 2 349.478 3.188 20 30 EGEDLP C[NH+](C)[C@@]1(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CCSC1 ZINC000360655569 167380957 /nfs/dbraw/zinc/38/09/57/167380957.db2.gz DKNLOMHIVXTYRW-RBUKOAKNSA-N 2 2 329.513 3.353 20 30 EGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccc(C#N)c(F)c1 ZINC000271932293 267179954 /nfs/dbraw/zinc/17/99/54/267179954.db2.gz LQLDYRYWSBPGFY-HNNXBMFYSA-N 2 2 338.430 3.408 20 30 EGEDLP Cc1cc[nH+]cc1CCC[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000429833685 268065332 /nfs/dbraw/zinc/06/53/32/268065332.db2.gz ZMQTURDZOBADQM-UHFFFAOYSA-N 2 2 338.430 3.156 20 30 EGEDLP CC[N@H+](C[C@H](C#N)CCC#N)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108684 453964753 /nfs/dbraw/zinc/96/47/53/453964753.db2.gz BOVCMJWEAAKHLJ-SFHVURJKSA-N 2 2 325.460 3.063 20 30 EGEDLP CC[N@@H+](C[C@H](C#N)CCC#N)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108684 453964756 /nfs/dbraw/zinc/96/47/56/453964756.db2.gz BOVCMJWEAAKHLJ-SFHVURJKSA-N 2 2 325.460 3.063 20 30 EGEDLP C[C@]1(C#N)CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000612406890 460622224 /nfs/dbraw/zinc/62/22/24/460622224.db2.gz WDAOCRDAPNKOEN-HXUWFJFHSA-N 2 2 327.472 3.287 20 30 EGEDLP C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000612406889 460622300 /nfs/dbraw/zinc/62/23/00/460622300.db2.gz WDAOCRDAPNKOEN-FQEVSTJZSA-N 2 2 327.472 3.287 20 30 EGEDLP C#CCOc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000131035039 454231948 /nfs/dbraw/zinc/23/19/48/454231948.db2.gz RSLUEFRUFDAZIH-SFHVURJKSA-N 2 2 349.478 3.409 20 30 EGEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])Nc1ccc(OC)cc1)c1ccco1 ZINC000104177981 454576833 /nfs/dbraw/zinc/57/68/33/454576833.db2.gz SKUSUVGFSOHCPZ-MRXNPFEDSA-N 2 2 330.432 3.098 20 30 EGEDLP CCCCCCCCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000124375869 454726064 /nfs/dbraw/zinc/72/60/64/454726064.db2.gz ZLEXQACMYXTHID-UHFFFAOYSA-N 2 2 337.552 3.412 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(Cl)nc3)CC2)cc1 ZINC000181535183 455350915 /nfs/dbraw/zinc/35/09/15/455350915.db2.gz WFHYELPLNBUXAE-UHFFFAOYSA-N 2 2 340.858 3.361 20 30 EGEDLP CC(C)CCOCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181625234 455363939 /nfs/dbraw/zinc/36/39/39/455363939.db2.gz IXOCKVACPBGAGA-UHFFFAOYSA-N 2 2 329.488 3.175 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3(O)CCCCCC3)CC2)cc1 ZINC000271878906 455796525 /nfs/dbraw/zinc/79/65/25/455796525.db2.gz OVNYAZFOQVTYES-UHFFFAOYSA-N 2 2 341.499 3.198 20 30 EGEDLP CO[C@@H]1[C@H](C)[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000271899394 455798592 /nfs/dbraw/zinc/79/85/92/455798592.db2.gz VFORVTCDGVRYMW-UIAACRFSSA-N 2 2 341.499 3.172 20 30 EGEDLP C[C@H]([NH2+][C@H]1CCO[C@@H](c2c[nH+]cn2C)C1)c1ccc(C#N)cc1F ZINC000332429648 456074954 /nfs/dbraw/zinc/07/49/54/456074954.db2.gz PTJVNLVFEIXGCV-XAYKYTGQSA-N 2 2 328.391 3.002 20 30 EGEDLP Cc1cc[nH+]cc1CCC[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000275202140 456271416 /nfs/dbraw/zinc/27/14/16/456271416.db2.gz GHJLEKOCRDLREP-OAQYLSRUSA-N 2 2 334.467 3.205 20 30 EGEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(F)c1 ZINC000348312107 456615479 /nfs/dbraw/zinc/61/54/79/456615479.db2.gz FDWSWZQEKYDBKZ-PMACEKPBSA-N 2 2 335.426 3.261 20 30 EGEDLP CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CC1)C2 ZINC000330204001 457002862 /nfs/dbraw/zinc/00/28/62/457002862.db2.gz BGXBRHQLJSVPEF-ZFWWWQNUSA-N 2 2 330.476 3.079 20 30 EGEDLP CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CC1)C2 ZINC000330204001 457002865 /nfs/dbraw/zinc/00/28/65/457002865.db2.gz BGXBRHQLJSVPEF-ZFWWWQNUSA-N 2 2 330.476 3.079 20 30 EGEDLP Cc1cc(NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)c(C#N)c[nH+]1 ZINC000425271514 457478317 /nfs/dbraw/zinc/47/83/17/457478317.db2.gz VDOSOXXOPBMTDZ-FQEVSTJZSA-N 2 2 338.455 3.186 20 30 EGEDLP Cc1cc(C[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)ccc1C#N ZINC000444000685 457838377 /nfs/dbraw/zinc/83/83/77/457838377.db2.gz XFSWQQJLLYUSQL-UHFFFAOYSA-N 2 2 341.499 3.239 20 30 EGEDLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000591770815 459433233 /nfs/dbraw/zinc/43/32/33/459433233.db2.gz JWSDEODIEMNBJZ-IFMALSPDSA-N 2 2 349.478 3.018 20 30 EGEDLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000591770815 459433238 /nfs/dbraw/zinc/43/32/38/459433238.db2.gz JWSDEODIEMNBJZ-IFMALSPDSA-N 2 2 349.478 3.018 20 30 EGEDLP C=CCC[C@@H](C)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000541760324 459488099 /nfs/dbraw/zinc/48/80/99/459488099.db2.gz HADFNJXBOQSDSB-OAHLLOKOSA-N 2 2 328.460 3.204 20 30 EGEDLP C=C(C)C[NH+]1CCC(Nc2cc(COC)[nH+]c3ccc(F)cc23)CC1 ZINC000564558122 459774326 /nfs/dbraw/zinc/77/43/26/459774326.db2.gz FJVSAXJKFMKELD-UHFFFAOYSA-N 2 2 343.446 3.395 20 30 EGEDLP COC1([C@H](C)[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CCCC1 ZINC000593726345 459966326 /nfs/dbraw/zinc/96/63/26/459966326.db2.gz YLVUUCGEMWLUIK-KRWDZBQOSA-N 2 2 341.499 3.460 20 30 EGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000602546265 459992600 /nfs/dbraw/zinc/99/26/00/459992600.db2.gz INRZRSTWLWMYTA-QUCCMNQESA-N 2 2 341.499 3.340 20 30 EGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000602546265 459992605 /nfs/dbraw/zinc/99/26/05/459992605.db2.gz INRZRSTWLWMYTA-QUCCMNQESA-N 2 2 341.499 3.340 20 30 EGEDLP C=CCCn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)nn1 ZINC000657374870 462081352 /nfs/dbraw/zinc/08/13/52/462081352.db2.gz TZQSZNONMNTDAM-MAUKXSAKSA-N 2 2 345.516 3.088 20 30 EGEDLP C=CCCn1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)nn1 ZINC000657374870 462081359 /nfs/dbraw/zinc/08/13/59/462081359.db2.gz TZQSZNONMNTDAM-MAUKXSAKSA-N 2 2 345.516 3.088 20 30 EGEDLP C#CCOc1ccc(C[NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)cc1 ZINC000742709922 576793826 /nfs/dbraw/zinc/79/38/26/576793826.db2.gz WJNIVJRIHQOHID-UHFFFAOYSA-N 2 2 331.419 3.483 20 30 EGEDLP CCc1ccc(NC(=[NH2+])NC[C@H](c2cccc(OC)c2)[NH+](C)C)cc1 ZINC000104155440 1293018949 /nfs/dbraw/zinc/01/89/49/1293018949.db2.gz LMNNNUVKISATKT-LJQANCHMSA-N 2 2 340.471 3.287 20 30 EGEDLP C#CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246996044 1296378459 /nfs/dbraw/zinc/37/84/59/1296378459.db2.gz LNQTXCDSUWLJMN-WIYYLYMNSA-N 2 2 349.478 3.094 20 30 EGEDLP C#CCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246996044 1296378469 /nfs/dbraw/zinc/37/84/69/1296378469.db2.gz LNQTXCDSUWLJMN-WIYYLYMNSA-N 2 2 349.478 3.094 20 30 EGEDLP CC[NH+]=C(NCC1(C2CC2)CCC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261995270 1296615503 /nfs/dbraw/zinc/61/55/03/1296615503.db2.gz SFPYGRRYQAIXTG-FUHWJXTLSA-N 2 2 343.519 3.312 20 30 EGEDLP [NH2+]=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)Nc1ccc2c(c1)CCC2 ZINC000303898384 1296875156 /nfs/dbraw/zinc/87/51/56/1296875156.db2.gz VMUUCZQOIWPJLX-UHFFFAOYSA-N 2 2 349.413 3.427 20 30 EGEDLP COc1cc(F)cc(N[NH+]=Cc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000771557277 1303420307 /nfs/dbraw/zinc/42/03/07/1303420307.db2.gz ASFHKMSHNITVGX-UHFFFAOYSA-N 2 2 342.418 3.032 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC000947315336 1333086213 /nfs/dbraw/zinc/08/62/13/1333086213.db2.gz RFARXIBEJNPJQG-MAUKXSAKSA-N 2 2 340.471 3.192 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC000947315336 1333086216 /nfs/dbraw/zinc/08/62/16/1333086216.db2.gz RFARXIBEJNPJQG-MAUKXSAKSA-N 2 2 340.471 3.192 20 30 EGEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001184660190 1387505555 /nfs/dbraw/zinc/50/55/55/1387505555.db2.gz IDHNMXDGTUFOSP-FUHWJXTLSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CCC[NH2+]C[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001184850853 1387549261 /nfs/dbraw/zinc/54/92/61/1387549261.db2.gz HSPUUKLHZOEVSG-YJBOKZPZSA-N 2 2 329.488 3.271 20 30 EGEDLP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001099359088 1363772035 /nfs/dbraw/zinc/77/20/35/1363772035.db2.gz MVMGJOHZIBMIQT-GOSISDBHSA-N 2 2 346.519 3.236 20 30 EGEDLP C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001099359088 1363772038 /nfs/dbraw/zinc/77/20/38/1363772038.db2.gz MVMGJOHZIBMIQT-GOSISDBHSA-N 2 2 346.519 3.236 20 30 EGEDLP C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001101592318 1364643861 /nfs/dbraw/zinc/64/38/61/1364643861.db2.gz YGCHYKIRTNVPJC-UHFFFAOYSA-N 2 2 346.519 3.081 20 30 EGEDLP C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)CCC1 ZINC001105542111 1366520562 /nfs/dbraw/zinc/52/05/62/1366520562.db2.gz PRVLMTFRKWLBST-SFHVURJKSA-N 2 2 344.503 3.059 20 30 EGEDLP C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)CCC1 ZINC001105542111 1366520564 /nfs/dbraw/zinc/52/05/64/1366520564.db2.gz PRVLMTFRKWLBST-SFHVURJKSA-N 2 2 344.503 3.059 20 30 EGEDLP C=C(C)CC[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001105570342 1366537783 /nfs/dbraw/zinc/53/77/83/1366537783.db2.gz NMOPQWZNOJTYJF-QGZVFWFLSA-N 2 2 344.503 3.059 20 30 EGEDLP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001109218709 1367008805 /nfs/dbraw/zinc/00/88/05/1367008805.db2.gz SHPPYWVGBOSFSW-IKGGRYGDSA-N 2 2 332.492 3.034 20 30 EGEDLP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001109218709 1367008808 /nfs/dbraw/zinc/00/88/08/1367008808.db2.gz SHPPYWVGBOSFSW-IKGGRYGDSA-N 2 2 332.492 3.034 20 30 EGEDLP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192295612 1367742577 /nfs/dbraw/zinc/74/25/77/1367742577.db2.gz VOZUFTUHJNHRHL-SJORKVTESA-N 2 2 344.503 3.109 20 30 EGEDLP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192295612 1367742581 /nfs/dbraw/zinc/74/25/81/1367742581.db2.gz VOZUFTUHJNHRHL-SJORKVTESA-N 2 2 344.503 3.109 20 30 EGEDLP C=CCOc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cc1 ZINC001204301364 1370436079 /nfs/dbraw/zinc/43/60/79/1370436079.db2.gz XHLJLRNBBLRWKY-NHCUHLMSSA-N 2 2 349.478 3.210 20 30 EGEDLP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CCCCC1 ZINC001115725483 1370706456 /nfs/dbraw/zinc/70/64/56/1370706456.db2.gz YFQVRJJMFTYISJ-MRXNPFEDSA-N 2 2 344.503 3.205 20 30 EGEDLP CCCCCCC[NH2+]CC1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001205743317 1370858031 /nfs/dbraw/zinc/85/80/31/1370858031.db2.gz AZLDRRQZOVIKTF-UHFFFAOYSA-N 2 2 348.535 3.151 20 30 EGEDLP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001209567441 1372138891 /nfs/dbraw/zinc/13/88/91/1372138891.db2.gz DECHRIBJZCGJBF-IRXDYDNUSA-N 2 2 344.503 3.157 20 30 EGEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001188350154 1388295029 /nfs/dbraw/zinc/29/50/29/1388295029.db2.gz YODAXSZMFAOOBE-YZVOILCLSA-N 2 2 338.455 3.064 20 30 EGEDLP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001188350154 1388295032 /nfs/dbraw/zinc/29/50/32/1388295032.db2.gz YODAXSZMFAOOBE-YZVOILCLSA-N 2 2 338.455 3.064 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001132090236 1375139667 /nfs/dbraw/zinc/13/96/67/1375139667.db2.gz FIWAXXSXDDBVTI-FUHWJXTLSA-N 2 2 334.508 3.282 20 30 EGEDLP CCCCCCC[N@H+]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001132090236 1375139670 /nfs/dbraw/zinc/13/96/70/1375139670.db2.gz FIWAXXSXDDBVTI-FUHWJXTLSA-N 2 2 334.508 3.282 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001132090236 1375139674 /nfs/dbraw/zinc/13/96/74/1375139674.db2.gz FIWAXXSXDDBVTI-FUHWJXTLSA-N 2 2 334.508 3.282 20 30 EGEDLP CCCCCCC[N@H+]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001132090236 1375139676 /nfs/dbraw/zinc/13/96/76/1375139676.db2.gz FIWAXXSXDDBVTI-FUHWJXTLSA-N 2 2 334.508 3.282 20 30 EGEDLP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C ZINC001133270601 1375886147 /nfs/dbraw/zinc/88/61/47/1375886147.db2.gz KNMBHOWKPORONW-AEFFLSMTSA-N 2 2 346.519 3.081 20 30 EGEDLP Cc1cc(C#N)ccc1C[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001233079531 1376564580 /nfs/dbraw/zinc/56/45/80/1376564580.db2.gz GSWHIUZGATUTNA-OALUTQOASA-N 2 2 337.492 3.492 20 30 EGEDLP N#Cc1ccnc(-c2ccc(C[N@@H+]3CCCC[C@@]34CC[NH2+]C4)cc2)c1 ZINC001235114185 1376846290 /nfs/dbraw/zinc/84/62/90/1376846290.db2.gz AWKWQYWZRGPRSK-NRFANRHFSA-N 2 2 332.451 3.338 20 30 EGEDLP N#Cc1ccnc(-c2ccc(C[N@H+]3CCCC[C@@]34CC[NH2+]C4)cc2)c1 ZINC001235114185 1376846294 /nfs/dbraw/zinc/84/62/94/1376846294.db2.gz AWKWQYWZRGPRSK-NRFANRHFSA-N 2 2 332.451 3.338 20 30 EGEDLP C=CCOc1ccccc1C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001139028214 1377819667 /nfs/dbraw/zinc/81/96/67/1377819667.db2.gz PUVMKXHGTQWBPS-BGYRXZFFSA-N 2 2 349.478 3.210 20 30 EGEDLP C=CCOc1ccccc1C[N@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001139028214 1377819669 /nfs/dbraw/zinc/81/96/69/1377819669.db2.gz PUVMKXHGTQWBPS-BGYRXZFFSA-N 2 2 349.478 3.210 20 30 EGEDLP C=CCOc1ccccc1C[NH+]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001139028214 1377819672 /nfs/dbraw/zinc/81/96/72/1377819672.db2.gz PUVMKXHGTQWBPS-BGYRXZFFSA-N 2 2 349.478 3.210 20 30 EGEDLP C=CCOc1ccccc1C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001139028214 1377819673 /nfs/dbraw/zinc/81/96/73/1377819673.db2.gz PUVMKXHGTQWBPS-BGYRXZFFSA-N 2 2 349.478 3.210 20 30 EGEDLP N#Cc1ccc2[nH]cc(C[NH+]3CCC([NH+]4CCC(F)CC4)CC3)c2c1 ZINC001140115092 1378011684 /nfs/dbraw/zinc/01/16/84/1378011684.db2.gz MNICPHVEKDVYMF-UHFFFAOYSA-N 2 2 340.446 3.438 20 30 EGEDLP Cc1ccc[nH+]c1N1CCC2(CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001280101975 1378328051 /nfs/dbraw/zinc/32/80/51/1378328051.db2.gz UXJCLLZDQFKZGA-UHFFFAOYSA-N 2 2 349.482 3.093 20 30 EGEDLP Cc1ccc[nH+]c1N1CCC2(CC[N@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001280101975 1378328055 /nfs/dbraw/zinc/32/80/55/1378328055.db2.gz UXJCLLZDQFKZGA-UHFFFAOYSA-N 2 2 349.482 3.093 20 30 EGEDLP CCCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001147742713 1379070716 /nfs/dbraw/zinc/07/07/16/1379070716.db2.gz PIUMTTHFJCPESF-IAGOWNOFSA-N 2 2 344.503 3.018 20 30 EGEDLP CCCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001147742713 1379070720 /nfs/dbraw/zinc/07/07/20/1379070720.db2.gz PIUMTTHFJCPESF-IAGOWNOFSA-N 2 2 344.503 3.018 20 30 EGEDLP CCCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001147742713 1379070728 /nfs/dbraw/zinc/07/07/28/1379070728.db2.gz PIUMTTHFJCPESF-IAGOWNOFSA-N 2 2 344.503 3.018 20 30 EGEDLP CCCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001147742713 1379070733 /nfs/dbraw/zinc/07/07/33/1379070733.db2.gz PIUMTTHFJCPESF-IAGOWNOFSA-N 2 2 344.503 3.018 20 30 EGEDLP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001156149629 1380531155 /nfs/dbraw/zinc/53/11/55/1380531155.db2.gz QCKMRQQFLXLSAJ-QGZVFWFLSA-N 2 2 340.471 3.279 20 30 EGEDLP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001156149629 1380531156 /nfs/dbraw/zinc/53/11/56/1380531156.db2.gz QCKMRQQFLXLSAJ-QGZVFWFLSA-N 2 2 340.471 3.279 20 30 EGEDLP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001158107475 1381129870 /nfs/dbraw/zinc/12/98/70/1381129870.db2.gz QXDCKHPZSPGVGF-MOPGFXCFSA-N 2 2 346.519 3.359 20 30 EGEDLP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001158107475 1381129873 /nfs/dbraw/zinc/12/98/73/1381129873.db2.gz QXDCKHPZSPGVGF-MOPGFXCFSA-N 2 2 346.519 3.359 20 30 EGEDLP CCCCCCC[NH2+]CC1(CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001167426582 1383631057 /nfs/dbraw/zinc/63/10/57/1383631057.db2.gz UJDWUEHRMPJREV-KRWDZBQOSA-N 2 2 348.535 3.435 20 30 EGEDLP CCCCCCC[NH2+]CC1(CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001167426582 1383631058 /nfs/dbraw/zinc/63/10/58/1383631058.db2.gz UJDWUEHRMPJREV-KRWDZBQOSA-N 2 2 348.535 3.435 20 30 EGEDLP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001170785428 1384384536 /nfs/dbraw/zinc/38/45/36/1384384536.db2.gz MEAKMLUZESEEJF-INIZCTEOSA-N 2 2 342.487 3.487 20 30 EGEDLP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001171942202 1384690028 /nfs/dbraw/zinc/69/00/28/1384690028.db2.gz JGQHNXYFNIUKLI-KRWDZBQOSA-N 2 2 340.471 3.327 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CCCN(CC1CCCC1)C(=O)Cn1cc[nH+]c1 ZINC001177493447 1385978631 /nfs/dbraw/zinc/97/86/31/1385978631.db2.gz XLAJONNTQRCELT-GOSISDBHSA-N 2 2 346.519 3.236 20 30 EGEDLP C=CCCCCC[NH2+]CCCCCCNC(=O)CCc1[nH+]ccn1C ZINC001179097479 1386399918 /nfs/dbraw/zinc/39/99/18/1386399918.db2.gz JNIZRCVSZICOIM-UHFFFAOYSA-N 2 2 348.535 3.365 20 30 EGEDLP C=C(C)C[NH2+]CCCCCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001179157658 1386413462 /nfs/dbraw/zinc/41/34/62/1386413462.db2.gz OTFRZBGZUCACAR-UHFFFAOYSA-N 2 2 340.471 3.328 20 30 EGEDLP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001179560945 1386514467 /nfs/dbraw/zinc/51/44/67/1386514467.db2.gz CYHXKXGHPRIKPT-INIZCTEOSA-N 2 2 332.492 3.062 20 30 EGEDLP C=C(C)CCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001336975031 1389225535 /nfs/dbraw/zinc/22/55/35/1389225535.db2.gz XQFCKKZCZDZTKE-RTBURBONSA-N 2 2 335.536 3.138 20 30 EGEDLP C=C(C)CCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001336975031 1389225537 /nfs/dbraw/zinc/22/55/37/1389225537.db2.gz XQFCKKZCZDZTKE-RTBURBONSA-N 2 2 335.536 3.138 20 30 EGEDLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CCOc2ccc(C#N)cc2)[nH+]1 ZINC001340938650 1390409012 /nfs/dbraw/zinc/40/90/12/1390409012.db2.gz AQWJLHGAGNLKFJ-GOSISDBHSA-N 2 2 336.439 3.217 20 30 EGEDLP Cc1cccc(NC[C@H]2CCC[N@H+]2CCOc2ccc(C#N)cc2)[nH+]1 ZINC001340938650 1390409015 /nfs/dbraw/zinc/40/90/15/1390409015.db2.gz AQWJLHGAGNLKFJ-GOSISDBHSA-N 2 2 336.439 3.217 20 30 EGEDLP CCCCCCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001343556757 1390722398 /nfs/dbraw/zinc/72/23/98/1390722398.db2.gz FYEXRVKTOPQNDH-ZWKOTPCHSA-N 2 2 348.535 3.279 20 30 EGEDLP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001717358333 1421293763 /nfs/dbraw/zinc/29/37/63/1421293763.db2.gz DMJHJJZSGUVBKM-SFHVURJKSA-N 2 2 340.471 3.193 20 30 EGEDLP C=C(Cl)C[NH2+]C[C@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)(C)C ZINC001734559590 1438157765 /nfs/dbraw/zinc/15/77/65/1438157765.db2.gz CYPQEBXQWSMLRZ-HNNXBMFYSA-N 2 2 348.878 3.129 20 30 EGEDLP C=C(C)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001753317757 1440360833 /nfs/dbraw/zinc/36/08/33/1440360833.db2.gz VLWFJCPLZHVIHO-OALUTQOASA-N 2 2 346.519 3.359 20 30 EGEDLP C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001753317757 1440360834 /nfs/dbraw/zinc/36/08/34/1440360834.db2.gz VLWFJCPLZHVIHO-OALUTQOASA-N 2 2 346.519 3.359 20 30 EGEDLP C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001754557088 1440632029 /nfs/dbraw/zinc/63/20/29/1440632029.db2.gz BYSCPCYMMZBVLH-QUCCMNQESA-N 2 2 344.503 3.115 20 30 EGEDLP C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001754557088 1440632030 /nfs/dbraw/zinc/63/20/30/1440632030.db2.gz BYSCPCYMMZBVLH-QUCCMNQESA-N 2 2 344.503 3.115 20 30 EGEDLP C=CCCCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001754557278 1440632210 /nfs/dbraw/zinc/63/22/10/1440632210.db2.gz FGAFTNNPGXMRHW-HXUWFJFHSA-N 2 2 344.503 3.013 20 30 EGEDLP C=CCCCCC[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001754557278 1440632211 /nfs/dbraw/zinc/63/22/11/1440632211.db2.gz FGAFTNNPGXMRHW-HXUWFJFHSA-N 2 2 344.503 3.013 20 30 EGEDLP C=C(C)CC[NH2+]C[C@H](NC(=O)c1cccc2[nH+]ccn21)C(C)(C)C ZINC001755827947 1440927894 /nfs/dbraw/zinc/92/78/94/1440927894.db2.gz WZRFVKYYVHNTRS-INIZCTEOSA-N 2 2 328.460 3.035 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc(Br)ncc2F)CC1 ZINC000273838972 201263022 /nfs/dbraw/zinc/26/30/22/201263022.db2.gz HMFPZIVFEMFODH-NSHDSACASA-N 2 2 342.256 3.284 20 30 EGEDLP Cc1[nH+]ccc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1Cl ZINC000350284837 165025592 /nfs/dbraw/zinc/02/55/92/165025592.db2.gz CMQUBSXAPNTOJI-UHFFFAOYSA-N 2 2 326.831 3.237 20 30 EGEDLP COC1([C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000414313275 267432002 /nfs/dbraw/zinc/43/20/02/267432002.db2.gz YANDUPBCHORXEJ-MRXNPFEDSA-N 2 2 327.472 3.070 20 30 EGEDLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cc(C#N)cs2)CC1 ZINC000131107734 307638189 /nfs/dbraw/zinc/63/81/89/307638189.db2.gz IBLHWQDKAPZRTB-CQSZACIVSA-N 2 2 326.469 3.330 20 30 EGEDLP N#Cc1csc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000177684655 323343797 /nfs/dbraw/zinc/34/37/97/323343797.db2.gz WJANJFNOZGHOOK-UHFFFAOYSA-N 2 2 325.481 3.416 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](O)C3CCCCC3)CC2)cc1 ZINC000095987875 454253569 /nfs/dbraw/zinc/25/35/69/454253569.db2.gz FBCILMCQMDXPAI-NRFANRHFSA-N 2 2 341.499 3.053 20 30 EGEDLP CCOC1CC(CO[NH+]=C(N)c2ccccc2C[NH+]2CCCCC2)C1 ZINC000285035400 455780875 /nfs/dbraw/zinc/78/08/75/455780875.db2.gz FOBDQEGXPRVKKT-UHFFFAOYSA-N 2 2 345.487 3.125 20 30 EGEDLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(C#N)cc1 ZINC000272181108 455869125 /nfs/dbraw/zinc/86/91/25/455869125.db2.gz FTXOENKZWAIFCI-KXBFYZLASA-N 2 2 335.455 3.267 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000338168226 456680410 /nfs/dbraw/zinc/68/04/10/456680410.db2.gz FIWRTSWDDKSSLS-NRFANRHFSA-N 2 2 336.483 3.391 20 30 EGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1OC ZINC000354087618 457054083 /nfs/dbraw/zinc/05/40/83/457054083.db2.gz DAQUWUZPUHEXNG-LJQANCHMSA-N 2 2 344.499 3.424 20 30 EGEDLP C=CCOc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1OC ZINC000354087618 457054090 /nfs/dbraw/zinc/05/40/90/457054090.db2.gz DAQUWUZPUHEXNG-LJQANCHMSA-N 2 2 344.499 3.424 20 30 EGEDLP C=CCOc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1OC ZINC000354087618 457054094 /nfs/dbraw/zinc/05/40/94/457054094.db2.gz DAQUWUZPUHEXNG-LJQANCHMSA-N 2 2 344.499 3.424 20 30 EGEDLP C=CCOc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1OC ZINC000354087618 457054101 /nfs/dbraw/zinc/05/41/01/457054101.db2.gz DAQUWUZPUHEXNG-LJQANCHMSA-N 2 2 344.499 3.424 20 30 EGEDLP CC(C)Cc1ccc([C@@H](C[NH2+]Cc2cc(C#N)n(C)c2)[NH+](C)C)cc1 ZINC000342305436 457226554 /nfs/dbraw/zinc/22/65/54/457226554.db2.gz VSBVXPSYHSUROH-OAQYLSRUSA-N 2 2 338.499 3.488 20 30 EGEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360838323 457377097 /nfs/dbraw/zinc/37/70/97/457377097.db2.gz UBTQOPOLFYCMER-TZIWHRDSSA-N 2 2 341.499 3.272 20 30 EGEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360838323 457377102 /nfs/dbraw/zinc/37/71/02/457377102.db2.gz UBTQOPOLFYCMER-TZIWHRDSSA-N 2 2 341.499 3.272 20 30 EGEDLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1sccc1C#N ZINC000360945077 457453255 /nfs/dbraw/zinc/45/32/55/457453255.db2.gz CQGUKQFYHJTNAG-HOTGVXAUSA-N 2 2 348.516 3.048 20 30 EGEDLP Cc1cc(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(C#N)c[nH+]1 ZINC000425227651 457465692 /nfs/dbraw/zinc/46/56/92/457465692.db2.gz RVQVLWIMXLHSRN-OAHLLOKOSA-N 2 2 326.469 3.069 20 30 EGEDLP COc1cc(C[NH2+][C@]2(C)CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000406003859 457554624 /nfs/dbraw/zinc/55/46/24/457554624.db2.gz OPBPABYRFIUHBM-OAQYLSRUSA-N 2 2 335.451 3.321 20 30 EGEDLP COc1cc(C[NH2+][C@]2(C)CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000406003859 457554633 /nfs/dbraw/zinc/55/46/33/457554633.db2.gz OPBPABYRFIUHBM-OAQYLSRUSA-N 2 2 335.451 3.321 20 30 EGEDLP N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cccc4[nH+]ccn43)C2)c(F)c1 ZINC000362336994 458113446 /nfs/dbraw/zinc/11/34/46/458113446.db2.gz RXSPTHXKUJHXOQ-MRXNPFEDSA-N 2 2 349.413 3.104 20 30 EGEDLP COCC1CCC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000414316663 458317478 /nfs/dbraw/zinc/31/74/78/458317478.db2.gz UXGJPLZZTWFRMF-UHFFFAOYSA-N 2 2 341.499 3.317 20 30 EGEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)NCc1c[nH+]c(C)cc1C)C(C)C ZINC000455560981 458604046 /nfs/dbraw/zinc/60/40/46/458604046.db2.gz QCHROPNIFMIUJK-LJQANCHMSA-N 2 2 344.503 3.196 20 30 EGEDLP COc1cc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)ccc1C#N ZINC000440812940 458857026 /nfs/dbraw/zinc/85/70/26/458857026.db2.gz LLZUPPAKWZKZJR-UHFFFAOYSA-N 2 2 346.434 3.144 20 30 EGEDLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000593691900 459953292 /nfs/dbraw/zinc/95/32/92/459953292.db2.gz UPCGJZBENIVYQJ-CWPLJXCYSA-N 2 2 327.472 3.068 20 30 EGEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000602534114 459987428 /nfs/dbraw/zinc/98/74/28/459987428.db2.gz OFLWXFOPZYUBSN-ROUUACIJSA-N 2 2 341.499 3.122 20 30 EGEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000602534114 459987438 /nfs/dbraw/zinc/98/74/38/459987438.db2.gz OFLWXFOPZYUBSN-ROUUACIJSA-N 2 2 341.499 3.122 20 30 EGEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(OC(F)F)c1 ZINC000610613789 460197852 /nfs/dbraw/zinc/19/78/52/460197852.db2.gz NNSGGCSHMMLOAQ-OAHLLOKOSA-N 2 2 332.354 3.193 20 30 EGEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(OC(F)F)c1 ZINC000610613789 460197857 /nfs/dbraw/zinc/19/78/57/460197857.db2.gz NNSGGCSHMMLOAQ-OAHLLOKOSA-N 2 2 332.354 3.193 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCCOC)c(OC)c2)CC1 ZINC000177908479 526452168 /nfs/dbraw/zinc/45/21/68/526452168.db2.gz UKCRTDKFWLRDLY-INIZCTEOSA-N 2 2 348.487 3.021 20 30 EGEDLP C[NH+]=C(N[C@@H]1C[C@@H]1C1CCCCC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160128948 1294258451 /nfs/dbraw/zinc/25/84/51/1294258451.db2.gz KLVRCKJZFFUDOJ-JCHJZTRSSA-N 2 2 343.519 3.310 20 30 EGEDLP COc1cccc([C@H](CNC(=[NH2+])Nc2cc(C)cc(C)c2)[NH+](C)C)c1 ZINC000303778824 1296851316 /nfs/dbraw/zinc/85/13/16/1296851316.db2.gz JYMHVLGLNFZXAY-IBGZPJMESA-N 2 2 340.471 3.342 20 30 EGEDLP CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC000303780974 1296852640 /nfs/dbraw/zinc/85/26/40/1296852640.db2.gz LURIZQBLTUKCBC-APWZRJJASA-N 2 2 346.519 3.284 20 30 EGEDLP Cc1ccc(C)c(OCCO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)c1 ZINC000747838769 1298867187 /nfs/dbraw/zinc/86/71/87/1298867187.db2.gz KCCPMJUSIOYKPU-UHFFFAOYSA-N 2 2 341.455 3.081 20 30 EGEDLP C=CCc1cc(C[NH2+]Cc2c[nH+]ccc2N(C)C)cc(OC)c1OC ZINC000759157184 1301027881 /nfs/dbraw/zinc/02/78/81/1301027881.db2.gz MNZVQTLLNIQOFY-UHFFFAOYSA-N 2 2 341.455 3.183 20 30 EGEDLP C[NH+]1CCN(c2ccc(C=[NH+]Nc3cccc4cnccc43)cc2)CC1 ZINC000771559640 1303419980 /nfs/dbraw/zinc/41/99/80/1303419980.db2.gz JFTVCWCLCOCSFK-UHFFFAOYSA-N 2 2 345.450 3.433 20 30 EGEDLP C[NH+]1CCC2(CCC[N@@H+]2Cc2cc(C#N)ccc2Br)CC1 ZINC000893857331 1306101232 /nfs/dbraw/zinc/10/12/32/1306101232.db2.gz NIXCYLRIDZGURP-UHFFFAOYSA-N 2 2 348.288 3.381 20 30 EGEDLP C[NH+]1CCC2(CCC[N@H+]2Cc2cc(C#N)ccc2Br)CC1 ZINC000893857331 1306101236 /nfs/dbraw/zinc/10/12/36/1306101236.db2.gz NIXCYLRIDZGURP-UHFFFAOYSA-N 2 2 348.288 3.381 20 30 EGEDLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc(C#N)ccc2Br)C1 ZINC000922284200 1322492118 /nfs/dbraw/zinc/49/21/18/1322492118.db2.gz OBPGEWWEEFCWJW-AWEZNQCLSA-N 2 2 336.277 3.142 20 30 EGEDLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc(C#N)ccc2Br)C1 ZINC000922284200 1322492124 /nfs/dbraw/zinc/49/21/24/1322492124.db2.gz OBPGEWWEEFCWJW-AWEZNQCLSA-N 2 2 336.277 3.142 20 30 EGEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000947572889 1333177170 /nfs/dbraw/zinc/17/71/70/1333177170.db2.gz VFRXCYADNJWDRB-FUHWJXTLSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000947572889 1333177172 /nfs/dbraw/zinc/17/71/72/1333177172.db2.gz VFRXCYADNJWDRB-FUHWJXTLSA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001041406025 1345718953 /nfs/dbraw/zinc/71/89/53/1345718953.db2.gz HFWXXSTXSVYLGQ-HXUWFJFHSA-N 2 2 338.455 3.067 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001041406025 1345718957 /nfs/dbraw/zinc/71/89/57/1345718957.db2.gz HFWXXSTXSVYLGQ-HXUWFJFHSA-N 2 2 338.455 3.067 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001046739187 1347077799 /nfs/dbraw/zinc/07/77/99/1347077799.db2.gz KCXIIINLYUXYII-HXUWFJFHSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001046739187 1347077802 /nfs/dbraw/zinc/07/78/02/1347077802.db2.gz KCXIIINLYUXYII-HXUWFJFHSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001052836427 1348695378 /nfs/dbraw/zinc/69/53/78/1348695378.db2.gz GPENDXNECPEYGQ-GOSISDBHSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001052836427 1348695379 /nfs/dbraw/zinc/69/53/79/1348695379.db2.gz GPENDXNECPEYGQ-GOSISDBHSA-N 2 2 338.455 3.033 20 30 EGEDLP C=CC[N@H+]1Cc2ccc(CNC(=O)c3ccn4c(C)c[nH+]c4c3)cc2C1 ZINC001054265341 1349262847 /nfs/dbraw/zinc/26/28/47/1349262847.db2.gz KTXXTBNVGKJVPD-UHFFFAOYSA-N 2 2 346.434 3.074 20 30 EGEDLP C=CC[N@@H+]1Cc2ccc(CNC(=O)c3ccn4c(C)c[nH+]c4c3)cc2C1 ZINC001054265341 1349262848 /nfs/dbraw/zinc/26/28/48/1349262848.db2.gz KTXXTBNVGKJVPD-UHFFFAOYSA-N 2 2 346.434 3.074 20 30 EGEDLP C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001099250763 1363713022 /nfs/dbraw/zinc/71/30/22/1363713022.db2.gz BDPXTBFOLXCUCJ-MSOLQXFVSA-N 2 2 346.519 3.407 20 30 EGEDLP 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C=CCCC[NH2+]C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)(C)C ZINC001755826485 1440927499 /nfs/dbraw/zinc/92/74/99/1440927499.db2.gz RDJVPSSWYQYENN-KRWDZBQOSA-N 2 2 328.460 3.263 20 30 EGEDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000352364408 165364552 /nfs/dbraw/zinc/36/45/52/165364552.db2.gz CTUSZYZSGJAREF-UHFFFAOYSA-N 2 2 325.387 3.444 20 30 EGEDLP Cc1c[nH+]ccc1OC1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000278550745 268037707 /nfs/dbraw/zinc/03/77/07/268037707.db2.gz HHSILMCIVQIGLQ-UHFFFAOYSA-N 2 2 337.423 3.184 20 30 EGEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(OC(F)F)c1 ZINC000437893258 268219537 /nfs/dbraw/zinc/21/95/37/268219537.db2.gz CJMCDDWAYXBVNU-AWEZNQCLSA-N 2 2 332.354 3.262 20 30 EGEDLP N#Cc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(OC(F)F)c1 ZINC000437893258 268219538 /nfs/dbraw/zinc/21/95/38/268219538.db2.gz CJMCDDWAYXBVNU-AWEZNQCLSA-N 2 2 332.354 3.262 20 30 EGEDLP COCc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181441349 455334921 /nfs/dbraw/zinc/33/49/21/455334921.db2.gz NGVHCLXOGUDJIT-UHFFFAOYSA-N 2 2 349.478 3.459 20 30 EGEDLP C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000623497027 460582680 /nfs/dbraw/zinc/58/26/80/460582680.db2.gz UJNWCLNDTRZHPT-CQSZACIVSA-N 2 2 347.846 3.215 20 30 EGEDLP N#Cc1ccccc1COc1cccc(C[NH2+]CCn2cc[nH+]c2)c1 ZINC000066904888 453885170 /nfs/dbraw/zinc/88/51/70/453885170.db2.gz VTKRPSFANYJYQB-UHFFFAOYSA-N 2 2 332.407 3.124 20 30 EGEDLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000245944365 455405648 /nfs/dbraw/zinc/40/56/48/455405648.db2.gz VNAYOCBZUMFTKV-CWPLJXCYSA-N 2 2 327.472 3.068 20 30 EGEDLP COc1cc(C#N)ccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000121525600 454447470 /nfs/dbraw/zinc/44/74/70/454447470.db2.gz YCQIXDUQMXRODH-APWZRJJASA-N 2 2 325.456 3.016 20 30 EGEDLP COc1cc(C#N)ccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000121525600 454447475 /nfs/dbraw/zinc/44/74/75/454447475.db2.gz YCQIXDUQMXRODH-APWZRJJASA-N 2 2 325.456 3.016 20 30 EGEDLP COc1cc(C#N)ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000121525600 454447479 /nfs/dbraw/zinc/44/74/79/454447479.db2.gz YCQIXDUQMXRODH-APWZRJJASA-N 2 2 325.456 3.016 20 30 EGEDLP COc1cc(C#N)ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000121525600 454447483 /nfs/dbraw/zinc/44/74/83/454447483.db2.gz YCQIXDUQMXRODH-APWZRJJASA-N 2 2 325.456 3.016 20 30 EGEDLP C[C@H]1CC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000091960764 454495053 /nfs/dbraw/zinc/49/50/53/454495053.db2.gz PPMFAJOYDVCXNO-PXNSSMCTSA-N 2 2 337.471 3.316 20 30 EGEDLP C[C@H]1CC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000091960764 454495055 /nfs/dbraw/zinc/49/50/55/454495055.db2.gz PPMFAJOYDVCXNO-PXNSSMCTSA-N 2 2 337.471 3.316 20 30 EGEDLP C=CCc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc(OC)c1O ZINC000093597383 454722689 /nfs/dbraw/zinc/72/26/89/454722689.db2.gz SLPFCTWCCWPEAH-MRXNPFEDSA-N 2 2 330.472 3.047 20 30 EGEDLP C=CCc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc(OC)c1O ZINC000093597383 454722691 /nfs/dbraw/zinc/72/26/91/454722691.db2.gz SLPFCTWCCWPEAH-MRXNPFEDSA-N 2 2 330.472 3.047 20 30 EGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1OC ZINC000093866025 454741378 /nfs/dbraw/zinc/74/13/78/454741378.db2.gz XNLGMSRWKPAQCA-GOSISDBHSA-N 2 2 340.423 3.308 20 30 EGEDLP C=CCOc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1OC ZINC000093866025 454741382 /nfs/dbraw/zinc/74/13/82/454741382.db2.gz XNLGMSRWKPAQCA-GOSISDBHSA-N 2 2 340.423 3.308 20 30 EGEDLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000109015471 454819111 /nfs/dbraw/zinc/81/91/11/454819111.db2.gz YBMSXXDSWHIJJU-FQEVSTJZSA-N 2 2 335.451 3.321 20 30 EGEDLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000109015471 454819114 /nfs/dbraw/zinc/81/91/14/454819114.db2.gz YBMSXXDSWHIJJU-FQEVSTJZSA-N 2 2 335.451 3.321 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC[C@H]3CCCCO3)CC2)cc1 ZINC000180250882 455152171 /nfs/dbraw/zinc/15/21/71/455152171.db2.gz WTWOXZMUUWXTHS-HXUWFJFHSA-N 2 2 327.472 3.071 20 30 EGEDLP Cc1cccc(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000280715742 456037627 /nfs/dbraw/zinc/03/76/27/456037627.db2.gz XQEKNEICUORSNI-UHFFFAOYSA-N 2 2 334.467 3.058 20 30 EGEDLP COc1cc(C[N@H+](Cc2ccco2)C2CC[NH+](C)CC2)ccc1C#N ZINC000290505067 456348328 /nfs/dbraw/zinc/34/83/28/456348328.db2.gz PJFCXFPAMLNIQO-UHFFFAOYSA-N 2 2 339.439 3.256 20 30 EGEDLP COc1cc(C[N@@H+](Cc2ccco2)C2CC[NH+](C)CC2)ccc1C#N ZINC000290505067 456348339 /nfs/dbraw/zinc/34/83/39/456348339.db2.gz PJFCXFPAMLNIQO-UHFFFAOYSA-N 2 2 339.439 3.256 20 30 EGEDLP C(#Cc1ccccc1)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000311201679 456587245 /nfs/dbraw/zinc/58/72/45/456587245.db2.gz HZDATQKBSJARRB-XZOQPEGZSA-N 2 2 330.475 3.492 20 30 EGEDLP C(#Cc1ccccc1)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000311201679 456587250 /nfs/dbraw/zinc/58/72/50/456587250.db2.gz HZDATQKBSJARRB-XZOQPEGZSA-N 2 2 330.475 3.492 20 30 EGEDLP C(#Cc1ccccc1)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000311201679 456587254 /nfs/dbraw/zinc/58/72/54/456587254.db2.gz HZDATQKBSJARRB-XZOQPEGZSA-N 2 2 330.475 3.492 20 30 EGEDLP C(#Cc1ccccc1)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000311201679 456587260 /nfs/dbraw/zinc/58/72/60/456587260.db2.gz HZDATQKBSJARRB-XZOQPEGZSA-N 2 2 330.475 3.492 20 30 EGEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000328907504 456787441 /nfs/dbraw/zinc/78/74/41/456787441.db2.gz CEYFENKWSZZVAC-NJAFHUGGSA-N 2 2 338.455 3.238 20 30 EGEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000328907504 456787448 /nfs/dbraw/zinc/78/74/48/456787448.db2.gz CEYFENKWSZZVAC-NJAFHUGGSA-N 2 2 338.455 3.238 20 30 EGEDLP N#Cc1ccccc1COc1cccc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000353678213 456849618 /nfs/dbraw/zinc/84/96/18/456849618.db2.gz CXNJKGHCMSKVOC-SIKLNZKXSA-N 2 2 347.462 3.321 20 30 EGEDLP N#Cc1ccccc1COc1cccc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000353678213 456849621 /nfs/dbraw/zinc/84/96/21/456849621.db2.gz CXNJKGHCMSKVOC-SIKLNZKXSA-N 2 2 347.462 3.321 20 30 EGEDLP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000329538640 456905390 /nfs/dbraw/zinc/90/53/90/456905390.db2.gz MMVRZCJYOABJLD-CXAGYDPISA-N 2 2 326.444 3.174 20 30 EGEDLP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000329538640 456905394 /nfs/dbraw/zinc/90/53/94/456905394.db2.gz MMVRZCJYOABJLD-CXAGYDPISA-N 2 2 326.444 3.174 20 30 EGEDLP O=C(Cc1c[nH+]cn1Cc1ccccc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000330335227 457030369 /nfs/dbraw/zinc/03/03/69/457030369.db2.gz RJPRBNYPICWYPU-RTBURBONSA-N 2 2 338.455 3.057 20 30 EGEDLP O=C(Cc1c[nH+]cn1Cc1ccccc1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000330335227 457030371 /nfs/dbraw/zinc/03/03/71/457030371.db2.gz RJPRBNYPICWYPU-RTBURBONSA-N 2 2 338.455 3.057 20 30 EGEDLP Cc1cc(C)c(NC(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)c(C)[nH+]1 ZINC000331292129 457162121 /nfs/dbraw/zinc/16/21/21/457162121.db2.gz BQIQZTRSZWAZCC-KRWDZBQOSA-N 2 2 348.491 3.080 20 30 EGEDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000361851937 457908454 /nfs/dbraw/zinc/90/84/54/457908454.db2.gz ZZXNDWIIXRRRCP-FOIQADDNSA-N 2 2 338.430 3.093 20 30 EGEDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000361851937 457908462 /nfs/dbraw/zinc/90/84/62/457908462.db2.gz ZZXNDWIIXRRRCP-FOIQADDNSA-N 2 2 338.430 3.093 20 30 EGEDLP CC1(C)C[N@@H+](C2(C[NH2+][C@@H]3CCC[C@H](C#N)C3)CCCCC2)CCO1 ZINC000447535663 458307078 /nfs/dbraw/zinc/30/70/78/458307078.db2.gz HQDCQAHEPLTMKD-ZWKOTPCHSA-N 2 2 333.520 3.472 20 30 EGEDLP CC1(C)C[N@H+](C2(C[NH2+][C@@H]3CCC[C@H](C#N)C3)CCCCC2)CCO1 ZINC000447535663 458307083 /nfs/dbraw/zinc/30/70/83/458307083.db2.gz HQDCQAHEPLTMKD-ZWKOTPCHSA-N 2 2 333.520 3.472 20 30 EGEDLP COC1CCC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000459678368 458445479 /nfs/dbraw/zinc/44/54/79/458445479.db2.gz NGLCGGANEYRSQW-UHFFFAOYSA-N 2 2 327.472 3.070 20 30 EGEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)nc1 ZINC000573695432 459719424 /nfs/dbraw/zinc/71/94/24/459719424.db2.gz MFPWTSMETZQROK-RBBKRZOGSA-N 2 2 346.478 3.440 20 30 EGEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)nc1 ZINC000573695432 459719430 /nfs/dbraw/zinc/71/94/30/459719430.db2.gz MFPWTSMETZQROK-RBBKRZOGSA-N 2 2 346.478 3.440 20 30 EGEDLP N#Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)nc1 ZINC000573695432 459719436 /nfs/dbraw/zinc/71/94/36/459719436.db2.gz MFPWTSMETZQROK-RBBKRZOGSA-N 2 2 346.478 3.440 20 30 EGEDLP N#Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)nc1 ZINC000573695432 459719440 /nfs/dbraw/zinc/71/94/40/459719440.db2.gz MFPWTSMETZQROK-RBBKRZOGSA-N 2 2 346.478 3.440 20 30 EGEDLP CC[N@@H+](Cc1cccc(C#N)n1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000602481517 459959558 /nfs/dbraw/zinc/95/95/58/459959558.db2.gz MIEQDUUYLBLYTC-IBGZPJMESA-N 2 2 334.467 3.297 20 30 EGEDLP CC[N@H+](Cc1cccc(C#N)n1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000602481517 459959563 /nfs/dbraw/zinc/95/95/63/459959563.db2.gz MIEQDUUYLBLYTC-IBGZPJMESA-N 2 2 334.467 3.297 20 30 EGEDLP CC[NH+](Cc1cccc(C#N)n1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602481517 459959570 /nfs/dbraw/zinc/95/95/70/459959570.db2.gz MIEQDUUYLBLYTC-IBGZPJMESA-N 2 2 334.467 3.297 20 30 EGEDLP CC[NH+](Cc1cccc(C#N)n1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602481517 459959575 /nfs/dbraw/zinc/95/95/75/459959575.db2.gz MIEQDUUYLBLYTC-IBGZPJMESA-N 2 2 334.467 3.297 20 30 EGEDLP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1(C)C ZINC000593719226 459962609 /nfs/dbraw/zinc/96/26/09/459962609.db2.gz ADCXAYWIWCSZIB-VQTJNVASSA-N 2 2 341.499 3.316 20 30 EGEDLP CCC1(O)CCC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000611438666 460365622 /nfs/dbraw/zinc/36/56/22/460365622.db2.gz YNCFKOMQXIGSEH-UHFFFAOYSA-N 2 2 341.499 3.196 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2conc2Cc2ccccc2)CC1 ZINC000645153914 462205296 /nfs/dbraw/zinc/20/52/96/462205296.db2.gz SYZJGFBBUIQOMU-UHFFFAOYSA-N 2 2 325.456 3.396 20 30 EGEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1OC ZINC000678234874 549435524 /nfs/dbraw/zinc/43/55/24/549435524.db2.gz MOIKPRQADLBFLL-QGZVFWFLSA-N 2 2 327.428 3.294 20 30 EGEDLP C=CCOc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1OC ZINC000678234874 549435529 /nfs/dbraw/zinc/43/55/29/549435529.db2.gz MOIKPRQADLBFLL-QGZVFWFLSA-N 2 2 327.428 3.294 20 30 EGEDLP C#CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000734159442 575449385 /nfs/dbraw/zinc/44/93/85/575449385.db2.gz ODTXVZVJPJUZFZ-NRFANRHFSA-N 2 2 334.463 3.453 20 30 EGEDLP C#CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000734159442 575449388 /nfs/dbraw/zinc/44/93/88/575449388.db2.gz ODTXVZVJPJUZFZ-NRFANRHFSA-N 2 2 334.463 3.453 20 30 EGEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(Br)ccc1Cl ZINC000385488255 1297583832 /nfs/dbraw/zinc/58/38/32/1297583832.db2.gz HLXUTKUFORKVLY-UHFFFAOYSA-N 2 2 329.669 3.147 20 30 EGEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(Br)ccc1Cl ZINC000385488255 1297583837 /nfs/dbraw/zinc/58/38/37/1297583837.db2.gz HLXUTKUFORKVLY-UHFFFAOYSA-N 2 2 329.669 3.147 20 30 EGEDLP C=CC(C)(C)CC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000879290752 1300470630 /nfs/dbraw/zinc/47/06/30/1300470630.db2.gz MSBKLGMISIILDY-MOPGFXCFSA-N 2 2 349.563 3.384 20 30 EGEDLP C=CC(C)(C)CC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000879290752 1300470637 /nfs/dbraw/zinc/47/06/37/1300470637.db2.gz MSBKLGMISIILDY-MOPGFXCFSA-N 2 2 349.563 3.384 20 30 EGEDLP C[C@@H]1CC[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000759160361 1301030571 /nfs/dbraw/zinc/03/05/71/1301030571.db2.gz TYSYQEDWBZDULN-UZLBHIALSA-N 2 2 346.438 3.159 20 30 EGEDLP C[C@@H]1CC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000759160361 1301030585 /nfs/dbraw/zinc/03/05/85/1301030585.db2.gz TYSYQEDWBZDULN-UZLBHIALSA-N 2 2 346.438 3.159 20 30 EGEDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000773030497 1303611146 /nfs/dbraw/zinc/61/11/46/1303611146.db2.gz QXUNZPMFEHUNKJ-MGPUTAFESA-N 2 2 338.430 3.093 20 30 EGEDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000773030497 1303611153 /nfs/dbraw/zinc/61/11/53/1303611153.db2.gz QXUNZPMFEHUNKJ-MGPUTAFESA-N 2 2 338.430 3.093 20 30 EGEDLP CC[C@H](C)[NH2+][C@@H](C[NH+]=C(NCc1ccccc1)N(C)C)c1ccco1 ZINC000849051051 1322059032 /nfs/dbraw/zinc/05/90/32/1322059032.db2.gz TYRPGVCCKIZYJJ-WMZOPIPTSA-N 2 2 342.487 3.416 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025254495 1324061956 /nfs/dbraw/zinc/06/19/56/1324061956.db2.gz JXRLDUAPXJQNEL-MOPGFXCFSA-N 2 2 344.503 3.085 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025254495 1324061962 /nfs/dbraw/zinc/06/19/62/1324061962.db2.gz JXRLDUAPXJQNEL-MOPGFXCFSA-N 2 2 344.503 3.085 20 30 EGEDLP C[C@@H](CC(C)(C)C#N)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000925906795 1325353847 /nfs/dbraw/zinc/35/38/47/1325353847.db2.gz SEAPPMDQNVKLIL-HNNXBMFYSA-N 2 2 329.492 3.352 20 30 EGEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000947572863 1333177196 /nfs/dbraw/zinc/17/71/96/1333177196.db2.gz VAQMIFKRKPJHKY-WMZOPIPTSA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000947572863 1333177198 /nfs/dbraw/zinc/17/71/98/1333177198.db2.gz VAQMIFKRKPJHKY-WMZOPIPTSA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000948473387 1333539677 /nfs/dbraw/zinc/53/96/77/1333539677.db2.gz FJUANDRXSMIQCI-GOSISDBHSA-N 2 2 346.519 3.206 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000948473387 1333539681 /nfs/dbraw/zinc/53/96/81/1333539681.db2.gz FJUANDRXSMIQCI-GOSISDBHSA-N 2 2 346.519 3.206 20 30 EGEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001052837097 1348695663 /nfs/dbraw/zinc/69/56/63/1348695663.db2.gz SYDDJPDTNWWQGX-GOSISDBHSA-N 2 2 338.455 3.033 20 30 EGEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001052837097 1348695664 /nfs/dbraw/zinc/69/56/64/1348695664.db2.gz SYDDJPDTNWWQGX-GOSISDBHSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001071898357 1355013977 /nfs/dbraw/zinc/01/39/77/1355013977.db2.gz ZKTXURUKVANQMD-QAPCUYQASA-N 2 2 349.906 3.083 20 30 EGEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001071898357 1355013979 /nfs/dbraw/zinc/01/39/79/1355013979.db2.gz ZKTXURUKVANQMD-QAPCUYQASA-N 2 2 349.906 3.083 20 30 EGEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC(C)(C)C1 ZINC001089421838 1360416065 /nfs/dbraw/zinc/41/60/65/1360416065.db2.gz YKZPXRREGWQFLO-MRXNPFEDSA-N 2 2 340.471 3.359 20 30 EGEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC(C)(C)C1 ZINC001089421838 1360416067 /nfs/dbraw/zinc/41/60/67/1360416067.db2.gz YKZPXRREGWQFLO-MRXNPFEDSA-N 2 2 340.471 3.359 20 30 EGEDLP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001089648697 1360562117 /nfs/dbraw/zinc/56/21/17/1360562117.db2.gz PSVYOKWDPQJSTA-INIZCTEOSA-N 2 2 349.544 3.216 20 30 EGEDLP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001089648697 1360562120 /nfs/dbraw/zinc/56/21/20/1360562120.db2.gz PSVYOKWDPQJSTA-INIZCTEOSA-N 2 2 349.544 3.216 20 30 EGEDLP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001184654292 1387504336 /nfs/dbraw/zinc/50/43/36/1387504336.db2.gz VQTVNBSFUGDBFG-TZMCWYRMSA-N 2 2 346.862 3.003 20 30 EGEDLP C=CCC[NH2+]C[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001184850850 1387549198 /nfs/dbraw/zinc/54/91/98/1387549198.db2.gz HSPUUKLHZOEVSG-CRAIPNDOSA-N 2 2 329.488 3.271 20 30 EGEDLP C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001101581262 1364634431 /nfs/dbraw/zinc/63/44/31/1364634431.db2.gz QYDABICWTJDVSR-MRXNPFEDSA-N 2 2 346.519 3.019 20 30 EGEDLP C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001101581262 1364634436 /nfs/dbraw/zinc/63/44/36/1364634436.db2.gz QYDABICWTJDVSR-MRXNPFEDSA-N 2 2 346.519 3.019 20 30 EGEDLP CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001185572392 1387753119 /nfs/dbraw/zinc/75/31/19/1387753119.db2.gz IURDHYIZIGUSMY-AEFFLSMTSA-N 2 2 348.535 3.305 20 30 EGEDLP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[C@@H](C)n2cc[nH+]c2)CCC1 ZINC001105566202 1366534395 /nfs/dbraw/zinc/53/43/95/1366534395.db2.gz GOPNBIGWWBMGOU-MSOLQXFVSA-N 2 2 344.503 3.161 20 30 EGEDLP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001190175987 1367191721 /nfs/dbraw/zinc/19/17/21/1367191721.db2.gz LQDACOBFLQMQKQ-CRAIPNDOSA-N 2 2 340.471 3.144 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001190175987 1367191725 /nfs/dbraw/zinc/19/17/25/1367191725.db2.gz LQDACOBFLQMQKQ-CRAIPNDOSA-N 2 2 340.471 3.144 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196242116 1368574291 /nfs/dbraw/zinc/57/42/91/1368574291.db2.gz BPGSBLNRXRWGII-MOPGFXCFSA-N 2 2 346.519 3.359 20 30 EGEDLP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196242116 1368574293 /nfs/dbraw/zinc/57/42/93/1368574293.db2.gz BPGSBLNRXRWGII-MOPGFXCFSA-N 2 2 346.519 3.359 20 30 EGEDLP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c(C)cc(C)[nH+]c1C)C2 ZINC001112482428 1368879918 /nfs/dbraw/zinc/87/99/18/1368879918.db2.gz VRGFSFMKDPZFGI-RXVVDRJESA-N 2 2 341.499 3.415 20 30 EGEDLP C=CCCC[NH2+]C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001201863586 1369636310 /nfs/dbraw/zinc/63/63/10/1369636310.db2.gz IDOSHZVGWQVVAA-UHFFFAOYSA-N 2 2 338.455 3.033 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C12CCC2 ZINC001202858119 1369910490 /nfs/dbraw/zinc/91/04/90/1369910490.db2.gz ZRKHFXALASPOEV-IAGOWNOFSA-N 2 2 346.519 3.330 20 30 EGEDLP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C12CCC2 ZINC001203014374 1369954428 /nfs/dbraw/zinc/95/44/28/1369954428.db2.gz PCEMRFFRXAODTN-ZWKOTPCHSA-N 2 2 344.503 3.106 20 30 EGEDLP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C12CCC2 ZINC001203014374 1369954433 /nfs/dbraw/zinc/95/44/33/1369954433.db2.gz PCEMRFFRXAODTN-ZWKOTPCHSA-N 2 2 344.503 3.106 20 30 EGEDLP CCCCCCC[NH2+][C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001208551463 1371813455 /nfs/dbraw/zinc/81/34/55/1371813455.db2.gz KQJZNAQQJXMWRR-KRWDZBQOSA-N 2 2 342.487 3.499 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001216396754 1373305733 /nfs/dbraw/zinc/30/57/33/1373305733.db2.gz GDEYSCGCECUNOJ-HZPDHXFCSA-N 2 2 334.508 3.094 20 30 EGEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001133021088 1375716627 /nfs/dbraw/zinc/71/66/27/1375716627.db2.gz IPMQDIGHODRMCK-RTBURBONSA-N 2 2 346.519 3.094 20 30 EGEDLP CCCCCCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001133240996 1375862129 /nfs/dbraw/zinc/86/21/29/1375862129.db2.gz DBMTVFALXXAQJI-MSOLQXFVSA-N 2 2 348.535 3.007 20 30 EGEDLP CCCCCCCOc1ccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235052316 1376844104 /nfs/dbraw/zinc/84/41/04/1376844104.db2.gz OVTDICLLTQHUDM-NRFANRHFSA-N 2 2 345.531 3.173 20 30 EGEDLP CCCCCCCOc1ccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235052316 1376844110 /nfs/dbraw/zinc/84/41/10/1376844110.db2.gz OVTDICLLTQHUDM-NRFANRHFSA-N 2 2 345.531 3.173 20 30 EGEDLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc(C#Cc3ccccc3)cc1)C2 ZINC001138336201 1377704719 /nfs/dbraw/zinc/70/47/19/1377704719.db2.gz MAZRERCPBCCZHA-DHIUTWEWSA-N 2 2 330.475 3.470 20 30 EGEDLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(C#Cc3ccccc3)cc1)C2 ZINC001138336201 1377704721 /nfs/dbraw/zinc/70/47/21/1377704721.db2.gz MAZRERCPBCCZHA-DHIUTWEWSA-N 2 2 330.475 3.470 20 30 EGEDLP C=CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)Cc1ccccc1 ZINC001139323750 1377867954 /nfs/dbraw/zinc/86/79/54/1377867954.db2.gz QLCADUXWHUYQOF-UHFFFAOYSA-N 2 2 342.512 3.083 20 30 EGEDLP C=CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)Cc1ccccc1 ZINC001139323750 1377867958 /nfs/dbraw/zinc/86/79/58/1377867958.db2.gz QLCADUXWHUYQOF-UHFFFAOYSA-N 2 2 342.512 3.083 20 30 EGEDLP C=CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001158534490 1381285123 /nfs/dbraw/zinc/28/51/23/1381285123.db2.gz WTFOPPKDXXGIEN-GOSISDBHSA-N 2 2 332.492 3.012 20 30 EGEDLP C=CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001158534490 1381285129 /nfs/dbraw/zinc/28/51/29/1381285129.db2.gz WTFOPPKDXXGIEN-GOSISDBHSA-N 2 2 332.492 3.012 20 30 EGEDLP C=CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001158654300 1381338822 /nfs/dbraw/zinc/33/88/22/1381338822.db2.gz TUTNSHDKWXJDFN-QGZVFWFLSA-N 2 2 332.492 3.012 20 30 EGEDLP C=CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001158654300 1381338825 /nfs/dbraw/zinc/33/88/25/1381338825.db2.gz TUTNSHDKWXJDFN-QGZVFWFLSA-N 2 2 332.492 3.012 20 30 EGEDLP N#Cc1c[nH]c2cc[nH+]c(N3CCC4(CC3)[NH2+]CCc3ccccc34)c12 ZINC001159019965 1381511424 /nfs/dbraw/zinc/51/14/24/1381511424.db2.gz LHLZSTRTNZMRAF-UHFFFAOYSA-N 2 2 343.434 3.076 20 30 EGEDLP N#Cc1cc(Nc2ccc(N3CCCCC3)[nH+]c2)cc(C2C[NH2+]C2)c1 ZINC001159167886 1381700849 /nfs/dbraw/zinc/70/08/49/1381700849.db2.gz XURMFJHLNCQOLH-UHFFFAOYSA-N 2 2 333.439 3.374 20 30 EGEDLP N#Cc1c[nH]c2cc[nH+]c(N3Cc4ccccc4C4(CC[NH2+]CC4)C3)c12 ZINC001167161068 1383555304 /nfs/dbraw/zinc/55/53/04/1383555304.db2.gz SQQQZTAZVJYUJE-UHFFFAOYSA-N 2 2 343.434 3.076 20 30 EGEDLP Cc1[nH+]c2c(n1C1CCC(C#N)(c3ccccc3)CC1)CC[NH2+]CC2 ZINC001170384688 1384304665 /nfs/dbraw/zinc/30/46/65/1384304665.db2.gz ZRDQRRCNMQEVLD-UHFFFAOYSA-N 2 2 334.467 3.456 20 30 EGEDLP Cc1ccc(N([C@@H](C)Cc2cccc(C#N)c2)C2CC[NH2+]CC2)[nH+]c1 ZINC001171232995 1384476146 /nfs/dbraw/zinc/47/61/46/1384476146.db2.gz YLPFEFOOSYTZGM-KRWDZBQOSA-N 2 2 334.467 3.451 20 30 EGEDLP CC(C)OCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001172434750 1384791133 /nfs/dbraw/zinc/79/11/33/1384791133.db2.gz SOCKMKZANYMEEF-QGZVFWFLSA-N 2 2 329.488 3.316 20 30 EGEDLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](C1CCC(CC#N)CC1)CC2 ZINC001173336228 1384961854 /nfs/dbraw/zinc/96/18/54/1384961854.db2.gz SHRMKNOZUHSBKV-UHFFFAOYSA-N 2 2 343.519 3.356 20 30 EGEDLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](C1CCC(CC#N)CC1)CC2 ZINC001173336228 1384961856 /nfs/dbraw/zinc/96/18/56/1384961856.db2.gz SHRMKNOZUHSBKV-UHFFFAOYSA-N 2 2 343.519 3.356 20 30 EGEDLP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001177437469 1385956917 /nfs/dbraw/zinc/95/69/17/1385956917.db2.gz RSOXDTVAGJIPEP-KRWDZBQOSA-N 2 2 346.519 3.163 20 30 EGEDLP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001177437469 1385956922 /nfs/dbraw/zinc/95/69/22/1385956922.db2.gz RSOXDTVAGJIPEP-KRWDZBQOSA-N 2 2 346.519 3.163 20 30 EGEDLP CCCCCCC[NH2+][C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)[C@H]1C ZINC001179622989 1386534802 /nfs/dbraw/zinc/53/48/02/1386534802.db2.gz YOMRKOJOKVTLFI-SQNIBIBYSA-N 2 2 334.508 3.384 20 30 EGEDLP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001731292455 1427234611 /nfs/dbraw/zinc/23/46/11/1427234611.db2.gz FETYVMSYZXVVOH-CXAGYDPISA-N 2 2 346.862 3.288 20 30 EGEDLP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001752750026 1440204798 /nfs/dbraw/zinc/20/47/98/1440204798.db2.gz DAIPGSGPHWMCSM-NXHRZFHOSA-N 2 2 338.455 3.077 20 30 EGEDLP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)c2cccc3[nH+]ccn32)cc1 ZINC001753589914 1440442576 /nfs/dbraw/zinc/44/25/76/1440442576.db2.gz RZBZWHUMQQKLRI-UHFFFAOYSA-N 2 2 348.450 3.320 20 30 EGEDLP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001754542870 1440626603 /nfs/dbraw/zinc/62/66/03/1440626603.db2.gz IACWMUQKIHMSDU-QYZOEREBSA-N 2 2 344.503 3.112 20 30 EGEDLP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001754542870 1440626604 /nfs/dbraw/zinc/62/66/04/1440626604.db2.gz IACWMUQKIHMSDU-QYZOEREBSA-N 2 2 344.503 3.112 20 30 EGEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)s1 ZINC000176946900 207277298 /nfs/dbraw/zinc/27/72/98/207277298.db2.gz DKRIFUDEKHJLHK-UHFFFAOYSA-N 2 2 325.481 3.416 20 30 EGEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2C#N)[C@@H](C)C1 ZINC000248932739 163047325 /nfs/dbraw/zinc/04/73/25/163047325.db2.gz BNXPTCQAMLBEGO-KXBFYZLASA-N 2 2 349.906 3.438 20 30 EGEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2C#N)[C@@H](C)C1 ZINC000248932739 163047327 /nfs/dbraw/zinc/04/73/27/163047327.db2.gz BNXPTCQAMLBEGO-KXBFYZLASA-N 2 2 349.906 3.438 20 30 EGEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439437759 270051913 /nfs/dbraw/zinc/05/19/13/270051913.db2.gz IVVNDEJSWUGFFH-HNNXBMFYSA-N 2 2 328.847 3.400 20 30 EGEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439437759 270051914 /nfs/dbraw/zinc/05/19/14/270051914.db2.gz IVVNDEJSWUGFFH-HNNXBMFYSA-N 2 2 328.847 3.400 20 30 EGEDLP N#Cc1ccc(N2CCC([NH2+]C[C@@H]3CCCC[N@@H+]3C3CC3)CC2)cc1 ZINC000287457458 268107668 /nfs/dbraw/zinc/10/76/68/268107668.db2.gz LRSASBFTPRSKII-NRFANRHFSA-N 2 2 338.499 3.134 20 30 EGEDLP N#Cc1ccc(N2CCC([NH2+]C[C@@H]3CCCC[N@H+]3C3CC3)CC2)cc1 ZINC000287457458 268107669 /nfs/dbraw/zinc/10/76/69/268107669.db2.gz LRSASBFTPRSKII-NRFANRHFSA-N 2 2 338.499 3.134 20 30 EGEDLP N#Cc1cccc(OCCC[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000534861078 314003121 /nfs/dbraw/zinc/00/31/21/314003121.db2.gz PEBZJAKDURZIJD-UHFFFAOYSA-N 2 2 336.439 3.299 20 30 EGEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC#Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC000190006721 455270875 /nfs/dbraw/zinc/27/08/75/455270875.db2.gz OESSCZORKYOQQA-XLIONFOSSA-N 2 2 348.918 3.418 20 30 EGEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC#Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC000190006721 455270879 /nfs/dbraw/zinc/27/08/79/455270879.db2.gz OESSCZORKYOQQA-XLIONFOSSA-N 2 2 348.918 3.418 20 30 EGEDLP CC[N@H+](C[C@@H](C#N)CCC#N)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108686 453964798 /nfs/dbraw/zinc/96/47/98/453964798.db2.gz BOVCMJWEAAKHLJ-GOSISDBHSA-N 2 2 325.460 3.063 20 30 EGEDLP CC[N@@H+](C[C@@H](C#N)CCC#N)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108686 453964800 /nfs/dbraw/zinc/96/48/00/453964800.db2.gz BOVCMJWEAAKHLJ-GOSISDBHSA-N 2 2 325.460 3.063 20 30 EGEDLP N#Cc1cccc(COc2cccc(C[NH2+]CCn3cc[nH+]c3)c2)c1 ZINC000047688422 454400785 /nfs/dbraw/zinc/40/07/85/454400785.db2.gz XJBSUUWGKAFKNY-UHFFFAOYSA-N 2 2 332.407 3.124 20 30 EGEDLP Cc1c[nH+]ccc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000121336759 454422585 /nfs/dbraw/zinc/42/25/85/454422585.db2.gz RYTFNVCRYIVESF-UHFFFAOYSA-N 2 2 349.438 3.002 20 30 EGEDLP Cc1c[nH+]ccc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000121336759 454422592 /nfs/dbraw/zinc/42/25/92/454422592.db2.gz RYTFNVCRYIVESF-UHFFFAOYSA-N 2 2 349.438 3.002 20 30 EGEDLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185731042 455608866 /nfs/dbraw/zinc/60/88/66/455608866.db2.gz QNWPVPAVIHETJT-DLBZAZTESA-N 2 2 342.487 3.331 20 30 EGEDLP C[N@@H+](Cc1cccc(C#N)c1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278745913 455847450 /nfs/dbraw/zinc/84/74/50/455847450.db2.gz WRRBFNZUJSOSKH-QFIPXVFZSA-N 2 2 349.478 3.281 20 30 EGEDLP C[N@H+](Cc1cccc(C#N)c1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278745913 455847453 /nfs/dbraw/zinc/84/74/53/455847453.db2.gz WRRBFNZUJSOSKH-QFIPXVFZSA-N 2 2 349.478 3.281 20 30 EGEDLP C[NH+](Cc1cccc(C#N)c1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278745913 455847457 /nfs/dbraw/zinc/84/74/57/455847457.db2.gz WRRBFNZUJSOSKH-QFIPXVFZSA-N 2 2 349.478 3.281 20 30 EGEDLP C[NH+](Cc1cccc(C#N)c1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000278745913 455847460 /nfs/dbraw/zinc/84/74/60/455847460.db2.gz WRRBFNZUJSOSKH-QFIPXVFZSA-N 2 2 349.478 3.281 20 30 EGEDLP CC(C)C[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000285597854 455878518 /nfs/dbraw/zinc/87/85/18/455878518.db2.gz JPGZTJDUBUTBTA-HXUWFJFHSA-N 2 2 328.504 3.093 20 30 EGEDLP C=CCOc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1OC ZINC000261833878 455955825 /nfs/dbraw/zinc/95/58/25/455955825.db2.gz ONHLHERKDCCIDD-RBUKOAKNSA-N 2 2 338.451 3.187 20 30 EGEDLP C=CCOc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1OC ZINC000261833878 455955831 /nfs/dbraw/zinc/95/58/31/455955831.db2.gz ONHLHERKDCCIDD-RBUKOAKNSA-N 2 2 338.451 3.187 20 30 EGEDLP C=C(C)C[NH+]1CCC(N[C@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)CC1 ZINC000187977719 455976082 /nfs/dbraw/zinc/97/60/82/455976082.db2.gz JQTMTKLTDMDVDW-SFHVURJKSA-N 2 2 328.435 3.268 20 30 EGEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])Nc1cc(F)ccc1F)c1ccco1 ZINC000288774090 456103979 /nfs/dbraw/zinc/10/39/79/456103979.db2.gz VISXMNGOLSMDHE-OAHLLOKOSA-N 2 2 336.386 3.368 20 30 EGEDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000276695704 456554003 /nfs/dbraw/zinc/55/40/03/456554003.db2.gz ADMMSXIMJKWJOA-QGZVFWFLSA-N 2 2 333.439 3.220 20 30 EGEDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000276695704 456554006 /nfs/dbraw/zinc/55/40/06/456554006.db2.gz ADMMSXIMJKWJOA-QGZVFWFLSA-N 2 2 333.439 3.220 20 30 EGEDLP C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@H]1n1cc[nH+]c1 ZINC000348258618 456576999 /nfs/dbraw/zinc/57/69/99/456576999.db2.gz XHOOWWXKTJDHAE-CZUORRHYSA-N 2 2 346.381 3.439 20 30 EGEDLP C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@H]1n1cc[nH+]c1 ZINC000348258618 456577007 /nfs/dbraw/zinc/57/70/07/456577007.db2.gz XHOOWWXKTJDHAE-CZUORRHYSA-N 2 2 346.381 3.439 20 30 EGEDLP N#Cc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccc1F ZINC000348307448 456611896 /nfs/dbraw/zinc/61/18/96/456611896.db2.gz PGJQGESMAIGWNN-BGYRXZFFSA-N 2 2 335.426 3.261 20 30 EGEDLP N#Cc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccc1F ZINC000348307448 456611904 /nfs/dbraw/zinc/61/19/04/456611904.db2.gz PGJQGESMAIGWNN-BGYRXZFFSA-N 2 2 335.426 3.261 20 30 EGEDLP N#Cc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)ccc1F ZINC000348307448 456611911 /nfs/dbraw/zinc/61/19/11/456611911.db2.gz PGJQGESMAIGWNN-BGYRXZFFSA-N 2 2 335.426 3.261 20 30 EGEDLP N#Cc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)ccc1F ZINC000348307448 456611919 /nfs/dbraw/zinc/61/19/19/456611919.db2.gz PGJQGESMAIGWNN-BGYRXZFFSA-N 2 2 335.426 3.261 20 30 EGEDLP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328958863 456801855 /nfs/dbraw/zinc/80/18/55/456801855.db2.gz ORCQOSUDDFQFHN-ROUUACIJSA-N 2 2 338.455 3.067 20 30 EGEDLP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328958863 456801861 /nfs/dbraw/zinc/80/18/61/456801861.db2.gz ORCQOSUDDFQFHN-ROUUACIJSA-N 2 2 338.455 3.067 20 30 EGEDLP C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329330314 456873608 /nfs/dbraw/zinc/87/36/08/456873608.db2.gz YYQIVFRRWYLRSP-XHSDSOJGSA-N 2 2 330.476 3.055 20 30 EGEDLP C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000329330314 456873610 /nfs/dbraw/zinc/87/36/10/456873610.db2.gz YYQIVFRRWYLRSP-XHSDSOJGSA-N 2 2 330.476 3.055 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)CC1 ZINC000359386768 457079155 /nfs/dbraw/zinc/07/91/55/457079155.db2.gz LTHGFIZKVVDRSA-GOSISDBHSA-N 2 2 329.444 3.471 20 30 EGEDLP C=CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000351904872 457323773 /nfs/dbraw/zinc/32/37/73/457323773.db2.gz QRJYVDHSSVPYCL-UHFFFAOYSA-N 2 2 343.515 3.009 20 30 EGEDLP C=CCCCCC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000351904872 457323777 /nfs/dbraw/zinc/32/37/77/457323777.db2.gz QRJYVDHSSVPYCL-UHFFFAOYSA-N 2 2 343.515 3.009 20 30 EGEDLP CO[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C12CCC2 ZINC000459726274 458457890 /nfs/dbraw/zinc/45/78/90/458457890.db2.gz BMLMRVNNVLHPJK-VQTJNVASSA-N 2 2 339.483 3.070 20 30 EGEDLP N#Cc1ccc(-c2ccn(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)n2)cc1 ZINC000742169235 576754904 /nfs/dbraw/zinc/75/49/04/576754904.db2.gz PYUHWXBQJQFSII-LJQANCHMSA-N 2 2 349.482 3.187 20 30 EGEDLP N#Cc1ccc(-c2ccn(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)n2)cc1 ZINC000742169235 576754906 /nfs/dbraw/zinc/75/49/06/576754906.db2.gz PYUHWXBQJQFSII-LJQANCHMSA-N 2 2 349.482 3.187 20 30 EGEDLP CC(C)Oc1ccc(NC(=[NH2+])NCCCCNc2cccc[nH+]2)cc1 ZINC000104192074 1293019745 /nfs/dbraw/zinc/01/97/45/1293019745.db2.gz BHRGKNQKGCJAED-UHFFFAOYSA-N 2 2 341.459 3.488 20 30 EGEDLP COc1cccc(NC(=[NH2+])NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000303719599 1296847070 /nfs/dbraw/zinc/84/70/70/1296847070.db2.gz VYOFIXPPAHDLIV-QGZVFWFLSA-N 2 2 342.443 3.242 20 30 EGEDLP CC(C)c1cccc(NC(=[NH2+])NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000303783058 1296854557 /nfs/dbraw/zinc/85/45/57/1296854557.db2.gz NVEADUUGPXWADE-IYBDPMFKSA-N 2 2 346.519 3.424 20 30 EGEDLP CC(C)c1cccc(NC(=[NH2+])NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000303783058 1296854576 /nfs/dbraw/zinc/85/45/76/1296854576.db2.gz NVEADUUGPXWADE-IYBDPMFKSA-N 2 2 346.519 3.424 20 30 EGEDLP C=CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021615003 1318462988 /nfs/dbraw/zinc/46/29/88/1318462988.db2.gz UKVVHTUSXMVYOL-KXBFYZLASA-N 2 2 338.455 3.066 20 30 EGEDLP C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021615003 1318462992 /nfs/dbraw/zinc/46/29/92/1318462992.db2.gz UKVVHTUSXMVYOL-KXBFYZLASA-N 2 2 338.455 3.066 20 30 EGEDLP C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001034328432 1342403134 /nfs/dbraw/zinc/40/31/34/1342403134.db2.gz VLYKJHKKQYVINR-SFHVURJKSA-N 2 2 338.455 3.033 20 30 EGEDLP C=CCC[N@H+]1CCCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001034328432 1342403137 /nfs/dbraw/zinc/40/31/37/1342403137.db2.gz VLYKJHKKQYVINR-SFHVURJKSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)C[NH+]1CCC(C)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001045514672 1346614369 /nfs/dbraw/zinc/61/43/69/1346614369.db2.gz SPWKGNCFADEXFZ-UHFFFAOYSA-N 2 2 338.455 3.033 20 30 EGEDLP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC1 ZINC001086929465 1359254412 /nfs/dbraw/zinc/25/44/12/1359254412.db2.gz ITCOCDCPJTVVCE-OAHLLOKOSA-N 2 2 338.455 3.066 20 30 EGEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001089692974 1360598055 /nfs/dbraw/zinc/59/80/55/1360598055.db2.gz GDPGSHUUDNUIOS-JKSUJKDBSA-N 2 2 344.503 3.013 20 30 EGEDLP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001089692974 1360598057 /nfs/dbraw/zinc/59/80/57/1360598057.db2.gz GDPGSHUUDNUIOS-JKSUJKDBSA-N 2 2 344.503 3.013 20 30 EGEDLP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001184535863 1387486804 /nfs/dbraw/zinc/48/68/04/1387486804.db2.gz YNGHBUXMSKYQLF-MSOLQXFVSA-N 2 2 346.519 3.163 20 30 EGEDLP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001184535863 1387486805 /nfs/dbraw/zinc/48/68/05/1387486805.db2.gz YNGHBUXMSKYQLF-MSOLQXFVSA-N 2 2 346.519 3.163 20 30 EGEDLP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001184654288 1387504372 /nfs/dbraw/zinc/50/43/72/1387504372.db2.gz VQTVNBSFUGDBFG-OCCSQVGLSA-N 2 2 346.862 3.003 20 30 EGEDLP C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001101560111 1364619389 /nfs/dbraw/zinc/61/93/89/1364619389.db2.gz KWFCZBSDPDMWOF-UHFFFAOYSA-N 2 2 346.519 3.094 20 30 EGEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001103118902 1365392380 /nfs/dbraw/zinc/39/23/80/1365392380.db2.gz VKENORJNDZAQAP-GUDVDZBRSA-N 2 2 346.519 3.121 20 30 EGEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001103118902 1365392386 /nfs/dbraw/zinc/39/23/86/1365392386.db2.gz VKENORJNDZAQAP-GUDVDZBRSA-N 2 2 346.519 3.121 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001103678261 1365723414 /nfs/dbraw/zinc/72/34/14/1365723414.db2.gz JDOPMZPNYZSYOT-SJLPKXTDSA-N 2 2 348.535 3.305 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001103678261 1365723418 /nfs/dbraw/zinc/72/34/18/1365723418.db2.gz JDOPMZPNYZSYOT-SJLPKXTDSA-N 2 2 348.535 3.305 20 30 EGEDLP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001104327667 1365980163 /nfs/dbraw/zinc/98/01/63/1365980163.db2.gz ZYOSQTQSMHAHKZ-GUDVDZBRSA-N 2 2 346.519 3.121 20 30 EGEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001106288789 1366644239 /nfs/dbraw/zinc/64/42/39/1366644239.db2.gz RLGMCJDPQLQXRW-GUDVDZBRSA-N 2 2 346.519 3.121 20 30 EGEDLP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194448550 1368264533 /nfs/dbraw/zinc/26/45/33/1368264533.db2.gz HAWIJEDURHPDFY-SFHVURJKSA-N 2 2 334.508 3.166 20 30 EGEDLP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194448550 1368264538 /nfs/dbraw/zinc/26/45/38/1368264538.db2.gz HAWIJEDURHPDFY-SFHVURJKSA-N 2 2 334.508 3.166 20 30 EGEDLP C=C(Cl)C[N@H+]1CCCN(C(=O)CCC[NH+](CCC)CCC)CC1 ZINC001197795606 1368899497 /nfs/dbraw/zinc/89/94/97/1368899497.db2.gz YJMLTMLRQFKNTN-UHFFFAOYSA-N 2 2 343.943 3.175 20 30 EGEDLP C=C(Cl)C[N@@H+]1CCCN(C(=O)CCC[NH+](CCC)CCC)CC1 ZINC001197795606 1368899499 /nfs/dbraw/zinc/89/94/99/1368899499.db2.gz YJMLTMLRQFKNTN-UHFFFAOYSA-N 2 2 343.943 3.175 20 30 EGEDLP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001112537365 1368919307 /nfs/dbraw/zinc/91/93/07/1368919307.db2.gz CIQGCIKDZHNART-BJLQDIEVSA-N 2 2 344.503 3.019 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C12CCC2 ZINC001203660288 1370206618 /nfs/dbraw/zinc/20/66/18/1370206618.db2.gz PADXCRDKKALVQN-MSOLQXFVSA-N 2 2 346.519 3.248 20 30 EGEDLP C=C(C)C[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCCCC1 ZINC001115594926 1370596154 /nfs/dbraw/zinc/59/61/54/1370596154.db2.gz GINPZNDSCRSGPP-UHFFFAOYSA-N 2 2 326.444 3.161 20 30 EGEDLP C=CCCCCC[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001115749217 1370729992 /nfs/dbraw/zinc/72/99/92/1370729992.db2.gz QWPDKVWXYQNFMB-UHFFFAOYSA-N 2 2 332.492 3.107 20 30 EGEDLP Cc1cc(N(C)C)[nH+]cc1Nc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001206715104 1371143412 /nfs/dbraw/zinc/14/34/12/1371143412.db2.gz WSOZFSRLFVNEPB-UHFFFAOYSA-N 2 2 327.457 3.121 20 30 EGEDLP Cc1cc(N(C)C)[nH+]cc1Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001206715104 1371143413 /nfs/dbraw/zinc/14/34/13/1371143413.db2.gz WSOZFSRLFVNEPB-UHFFFAOYSA-N 2 2 327.457 3.121 20 30 EGEDLP Cn1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1C#N ZINC001207110451 1371296359 /nfs/dbraw/zinc/29/63/59/1371296359.db2.gz NHNLVPKKAYUBML-JOCHJYFZSA-N 2 2 348.494 3.385 20 30 EGEDLP Cn1cc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1C#N ZINC001207110451 1371296363 /nfs/dbraw/zinc/29/63/63/1371296363.db2.gz NHNLVPKKAYUBML-JOCHJYFZSA-N 2 2 348.494 3.385 20 30 EGEDLP Cn1cc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1C#N ZINC001207110451 1371296365 /nfs/dbraw/zinc/29/63/65/1371296365.db2.gz NHNLVPKKAYUBML-JOCHJYFZSA-N 2 2 348.494 3.385 20 30 EGEDLP Cn1cc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1C#N ZINC001207110451 1371296367 /nfs/dbraw/zinc/29/63/67/1371296367.db2.gz NHNLVPKKAYUBML-JOCHJYFZSA-N 2 2 348.494 3.385 20 30 EGEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001208420035 1371760775 /nfs/dbraw/zinc/76/07/75/1371760775.db2.gz GTZJQLDHVLEPRR-GOEBONIOSA-N 2 2 326.444 3.112 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001208994586 1371969928 /nfs/dbraw/zinc/96/99/28/1371969928.db2.gz BQXVTQDSMRZDEO-KZNAEPCWSA-N 2 2 334.508 3.241 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001208994586 1371969931 /nfs/dbraw/zinc/96/99/31/1371969931.db2.gz BQXVTQDSMRZDEO-KZNAEPCWSA-N 2 2 334.508 3.241 20 30 EGEDLP C=CCCCCC[NH+]1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001209423746 1372103302 /nfs/dbraw/zinc/10/33/02/1372103302.db2.gz DHBRXXHYAQPUPM-UHFFFAOYSA-N 2 2 329.488 3.499 20 30 EGEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001214964526 1373149455 /nfs/dbraw/zinc/14/94/55/1373149455.db2.gz DCIYSHFFXADUIP-DNVCBOLYSA-N 2 2 340.471 3.359 20 30 EGEDLP C=CCCCCC[NH+]1CCC(CNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001225647126 1375138617 /nfs/dbraw/zinc/13/86/17/1375138617.db2.gz UFLABNWYSCQCGF-UHFFFAOYSA-N 2 2 346.519 3.238 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@H](NC(=O)CCc2[nH+]ccn2C)CC[C@@H]1C ZINC001132195850 1375201364 /nfs/dbraw/zinc/20/13/64/1375201364.db2.gz WJFGPWAXJCGUFF-ZWKOTPCHSA-N 2 2 346.519 3.068 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@H](NC(=O)CCc2[nH+]ccn2C)CC[C@@H]1C ZINC001132195850 1375201366 /nfs/dbraw/zinc/20/13/66/1375201366.db2.gz WJFGPWAXJCGUFF-ZWKOTPCHSA-N 2 2 346.519 3.068 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[C@@H]1C ZINC001132457447 1375400591 /nfs/dbraw/zinc/40/05/91/1375400591.db2.gz LBNACVRXRWOOPG-ZWKOTPCHSA-N 2 2 346.519 3.068 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[C@@H]1C ZINC001132457447 1375400594 /nfs/dbraw/zinc/40/05/94/1375400594.db2.gz LBNACVRXRWOOPG-ZWKOTPCHSA-N 2 2 346.519 3.068 20 30 EGEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001227459938 1375433279 /nfs/dbraw/zinc/43/32/79/1375433279.db2.gz WGJVWNUOZNRLFR-BRWVUGGUSA-N 2 2 340.471 3.320 20 30 EGEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC[C@H]1C ZINC001133002614 1375705137 /nfs/dbraw/zinc/70/51/37/1375705137.db2.gz UARYGQPXERRLCS-RDTXWAMCSA-N 2 2 329.488 3.271 20 30 EGEDLP CCCCCCC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001133021190 1375717204 /nfs/dbraw/zinc/71/72/04/1375717204.db2.gz KAKLVZQVJJRVLW-OALUTQOASA-N 2 2 348.535 3.318 20 30 EGEDLP CCCCCCC[NH+]1CCC(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001229559592 1375854931 /nfs/dbraw/zinc/85/49/31/1375854931.db2.gz ZDACWMVWDZVOHQ-INIZCTEOSA-N 2 2 334.508 3.139 20 30 EGEDLP CCCCCCC[NH+]1CCC(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001229559592 1375854934 /nfs/dbraw/zinc/85/49/34/1375854934.db2.gz ZDACWMVWDZVOHQ-INIZCTEOSA-N 2 2 334.508 3.139 20 30 EGEDLP C=CCc1cccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1O ZINC001138626846 1377755874 /nfs/dbraw/zinc/75/58/74/1377755874.db2.gz QGTDAJOIQNGNPU-BGYRXZFFSA-N 2 2 349.478 3.080 20 30 EGEDLP C=CCc1cccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1O ZINC001138626846 1377755876 /nfs/dbraw/zinc/75/58/76/1377755876.db2.gz QGTDAJOIQNGNPU-BGYRXZFFSA-N 2 2 349.478 3.080 20 30 EGEDLP C=CCc1cccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)c1O ZINC001138626846 1377755880 /nfs/dbraw/zinc/75/58/80/1377755880.db2.gz QGTDAJOIQNGNPU-BGYRXZFFSA-N 2 2 349.478 3.080 20 30 EGEDLP C=CCc1cccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)c1O ZINC001138626846 1377755884 /nfs/dbraw/zinc/75/58/84/1377755884.db2.gz QGTDAJOIQNGNPU-BGYRXZFFSA-N 2 2 349.478 3.080 20 30 EGEDLP CCCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001148418872 1379168928 /nfs/dbraw/zinc/16/89/28/1379168928.db2.gz WBONMDTXHOMKKW-QGZVFWFLSA-N 2 2 346.519 3.093 20 30 EGEDLP CCCCCCC[N@H+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001148418872 1379168931 /nfs/dbraw/zinc/16/89/31/1379168931.db2.gz WBONMDTXHOMKKW-QGZVFWFLSA-N 2 2 346.519 3.093 20 30 EGEDLP CCCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001148418872 1379168934 /nfs/dbraw/zinc/16/89/34/1379168934.db2.gz WBONMDTXHOMKKW-QGZVFWFLSA-N 2 2 346.519 3.093 20 30 EGEDLP CCCCCCC[N@H+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001148418872 1379168937 /nfs/dbraw/zinc/16/89/37/1379168937.db2.gz WBONMDTXHOMKKW-QGZVFWFLSA-N 2 2 346.519 3.093 20 30 EGEDLP N#Cc1c[nH]c2cc[nH+]c(N3CCC4(CC3)[NH2+]Cc3ccccc34)c12 ZINC001159032196 1381524175 /nfs/dbraw/zinc/52/41/75/1381524175.db2.gz YVKKFVDXRUMDKG-UHFFFAOYSA-N 2 2 329.407 3.033 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001161356397 1382381487 /nfs/dbraw/zinc/38/14/87/1382381487.db2.gz NWMVKPMWQSQXNS-MSOLQXFVSA-N 2 2 344.503 3.327 20 30 EGEDLP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001161356397 1382381495 /nfs/dbraw/zinc/38/14/95/1382381495.db2.gz NWMVKPMWQSQXNS-MSOLQXFVSA-N 2 2 344.503 3.327 20 30 EGEDLP CC(C)N(CCC[NH3+])c1[nH+]cc2c(c1C#N)N(Cc1ccccc1)CC2 ZINC001164121442 1383158394 /nfs/dbraw/zinc/15/83/94/1383158394.db2.gz MOIZSIVKMYOVRH-UHFFFAOYSA-N 2 2 349.482 3.080 20 30 EGEDLP C[NH+](C)C1(CNc2nc(-c3ccccc3)ccc2C#N)CC[NH+](C)CC1 ZINC001164206867 1383165866 /nfs/dbraw/zinc/16/58/66/1383165866.db2.gz IHSNUMNOBCKGMI-UHFFFAOYSA-N 2 2 349.482 3.058 20 30 EGEDLP C[NH+](C)C1(CNc2nccc(-c3ccccc3)c2C#N)CC[NH+](C)CC1 ZINC001164206725 1383166093 /nfs/dbraw/zinc/16/60/93/1383166093.db2.gz ACWHJJGWFMIUAK-UHFFFAOYSA-N 2 2 349.482 3.058 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001165717983 1383331505 /nfs/dbraw/zinc/33/15/05/1383331505.db2.gz BXERDHWMTCPWIT-MRXNPFEDSA-N 2 2 346.519 3.157 20 30 EGEDLP C=CCN1CC[NH+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168054812 1383806110 /nfs/dbraw/zinc/80/61/10/1383806110.db2.gz UGXMPTZDCQRCPX-OALUTQOASA-N 2 2 327.516 3.232 20 30 EGEDLP C=CCN1CC[C@]2(CCC[N@@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)C1=O ZINC001171635103 1384588040 /nfs/dbraw/zinc/58/80/40/1384588040.db2.gz NKPCENMNURXTFK-NRFANRHFSA-N 2 2 347.547 3.138 20 30 EGEDLP C=CCN1CC[C@]2(CCC[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)C1=O ZINC001171635103 1384588049 /nfs/dbraw/zinc/58/80/49/1384588049.db2.gz NKPCENMNURXTFK-NRFANRHFSA-N 2 2 347.547 3.138 20 30 EGEDLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C1CCC(CC#N)CC1)C2 ZINC001173332748 1384960685 /nfs/dbraw/zinc/96/06/85/1384960685.db2.gz FITHLVBKQUHICV-UHFFFAOYSA-N 2 2 329.492 3.011 20 30 EGEDLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C1CCC(CC#N)CC1)C2 ZINC001173332748 1384960687 /nfs/dbraw/zinc/96/06/87/1384960687.db2.gz FITHLVBKQUHICV-UHFFFAOYSA-N 2 2 329.492 3.011 20 30 EGEDLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C1CCC(CC#N)CC1)C2 ZINC001173332748 1384960688 /nfs/dbraw/zinc/96/06/88/1384960688.db2.gz FITHLVBKQUHICV-UHFFFAOYSA-N 2 2 329.492 3.011 20 30 EGEDLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C1CCC(CC#N)CC1)C2 ZINC001173332748 1384960689 /nfs/dbraw/zinc/96/06/89/1384960689.db2.gz FITHLVBKQUHICV-UHFFFAOYSA-N 2 2 329.492 3.011 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CCCC[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001176810843 1385710269 /nfs/dbraw/zinc/71/02/69/1385710269.db2.gz QQWPCSHKOHKUSM-ROUUACIJSA-N 2 2 334.508 3.283 20 30 EGEDLP C=CCC[NH2+]CCCCCCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001178770715 1386298200 /nfs/dbraw/zinc/29/82/00/1386298200.db2.gz OQNASNWIQNMAKA-GOSISDBHSA-N 2 2 334.508 3.313 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001178852294 1386329032 /nfs/dbraw/zinc/32/90/32/1386329032.db2.gz OHZCGIYKNOKDSX-QZTJIDSGSA-N 2 2 346.519 3.066 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)CCCn1cc[nH+]c1 ZINC001180452630 1386801887 /nfs/dbraw/zinc/80/18/87/1386801887.db2.gz WRZXKAVTRJFWNE-SFHVURJKSA-N 2 2 334.508 3.284 20 30 EGEDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)/C=C/c1ccccc1C#N ZINC001322870180 1387250115 /nfs/dbraw/zinc/25/01/15/1387250115.db2.gz YYUGSUXCKANUBS-VOTSOKGWSA-N 2 2 329.363 3.099 20 30 EGEDLP CCc1ccc(C#CC(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)cc1 ZINC001347669069 1391109102 /nfs/dbraw/zinc/10/91/02/1391109102.db2.gz QKIBDSDOAOMSMU-UHFFFAOYSA-N 2 2 330.391 3.128 20 30 EGEDLP C=C(Cl)C[NH2+]C[C@H](CCCC)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001717530405 1421467001 /nfs/dbraw/zinc/46/70/01/1421467001.db2.gz OBUATBFUEYCDJO-AWEZNQCLSA-N 2 2 334.851 3.194 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@H]4OCC[C@@H]43)CC2)cc1 ZINC000181902015 234373927 /nfs/dbraw/zinc/37/39/27/234373927.db2.gz WHUVVANWBZCBDS-QHAWAJNXSA-N 2 2 339.483 3.070 20 30 EGEDLP N#Cc1ccc(Br)c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000191793964 239302097 /nfs/dbraw/zinc/30/20/97/239302097.db2.gz ISELIEBSFSAYQG-OAHLLOKOSA-N 2 2 348.288 3.238 20 30 EGEDLP N#Cc1ccc(Br)c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000191793964 239302104 /nfs/dbraw/zinc/30/21/04/239302104.db2.gz ISELIEBSFSAYQG-OAHLLOKOSA-N 2 2 348.288 3.238 20 30 EGEDLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000131092544 205272923 /nfs/dbraw/zinc/27/29/23/205272923.db2.gz GYTARAPYTWSTEZ-AWEZNQCLSA-N 2 2 326.469 3.330 20 30 EGEDLP CCOC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000189345326 153065283 /nfs/dbraw/zinc/06/52/83/153065283.db2.gz VEYCEQWZURJZQG-HXUWFJFHSA-N 2 2 329.488 3.173 20 30 EGEDLP C[C@@H](C[C@@H]1CCCO1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344111155 164105931 /nfs/dbraw/zinc/10/59/31/164105931.db2.gz UQOXAGDEOWNLAS-JXFKEZNVSA-N 2 2 327.472 3.070 20 30 EGEDLP CC[NH+](CC)CCOc1ccccc1CNc1cc(C)[nH+]cc1C#N ZINC000425201882 267059055 /nfs/dbraw/zinc/05/90/55/267059055.db2.gz BEVKYOYQHKDNDF-UHFFFAOYSA-N 2 2 338.455 3.016 20 30 EGEDLP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1cccc(C#N)c1 ZINC000420906814 267314975 /nfs/dbraw/zinc/31/49/75/267314975.db2.gz TYSYREFKQWGFHU-UHFFFAOYSA-N 2 2 335.451 3.022 20 30 EGEDLP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1cccc(C#N)c1 ZINC000420906814 267314976 /nfs/dbraw/zinc/31/49/76/267314976.db2.gz TYSYREFKQWGFHU-UHFFFAOYSA-N 2 2 335.451 3.022 20 30 EGEDLP N#Cc1ccc(N2CCC([NH2+]C[C@H]3CCCC[N@@H+]3C3CC3)CC2)cc1 ZINC000287457462 268107168 /nfs/dbraw/zinc/10/71/68/268107168.db2.gz LRSASBFTPRSKII-OAQYLSRUSA-N 2 2 338.499 3.134 20 30 EGEDLP N#Cc1ccc(N2CCC([NH2+]C[C@H]3CCCC[N@H+]3C3CC3)CC2)cc1 ZINC000287457462 268107171 /nfs/dbraw/zinc/10/71/71/268107171.db2.gz LRSASBFTPRSKII-OAQYLSRUSA-N 2 2 338.499 3.134 20 30 EGEDLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)C[C@H](C)O1 ZINC000360838327 274347941 /nfs/dbraw/zinc/34/79/41/274347941.db2.gz BYXWYFHGPQARPC-FVJLSDCUSA-N 2 2 341.499 3.415 20 30 EGEDLP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)C[C@H](C)O1 ZINC000360838327 274347942 /nfs/dbraw/zinc/34/79/42/274347942.db2.gz BYXWYFHGPQARPC-FVJLSDCUSA-N 2 2 341.499 3.415 20 30 EGEDLP N#Cc1cccc(COc2cccc(C[N@@H+]3C[C@@H]4CCC[NH2+][C@@H]4C3)c2)c1 ZINC000537634203 314198749 /nfs/dbraw/zinc/19/87/49/314198749.db2.gz DHCQSORXXZHTSF-RBBKRZOGSA-N 2 2 347.462 3.321 20 30 EGEDLP N#Cc1cccc(COc2cccc(C[N@H+]3C[C@@H]4CCC[NH2+][C@@H]4C3)c2)c1 ZINC000537634203 314198753 /nfs/dbraw/zinc/19/87/53/314198753.db2.gz DHCQSORXXZHTSF-RBBKRZOGSA-N 2 2 347.462 3.321 20 30 EGEDLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000565154913 316276602 /nfs/dbraw/zinc/27/66/02/316276602.db2.gz CVFZKMTXMIRQMR-IERDGZPVSA-N 2 2 337.467 3.188 20 30 EGEDLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000565154913 316276604 /nfs/dbraw/zinc/27/66/04/316276604.db2.gz CVFZKMTXMIRQMR-IERDGZPVSA-N 2 2 337.467 3.188 20 30 EGEDLP C#CCC[NH+]1CCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000091480484 454439886 /nfs/dbraw/zinc/43/98/86/454439886.db2.gz WFONYIZLPYWSDP-UHFFFAOYSA-N 2 2 344.256 3.143 20 30 EGEDLP CC[NH+]1CCC([N@H+](C)Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000125274543 454810059 /nfs/dbraw/zinc/81/00/59/454810059.db2.gz RSKGKTRPSHZFIM-UHFFFAOYSA-N 2 2 345.487 3.294 20 30 EGEDLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000125274543 454810061 /nfs/dbraw/zinc/81/00/61/454810061.db2.gz RSKGKTRPSHZFIM-UHFFFAOYSA-N 2 2 345.487 3.294 20 30 EGEDLP [NH2+]=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)Nc1ccccn1 ZINC000170912676 454998800 /nfs/dbraw/zinc/99/88/00/454998800.db2.gz GTGBPGVOIMWGNB-INIZCTEOSA-N 2 2 343.862 3.299 20 30 EGEDLP COc1ccccc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181386312 455326716 /nfs/dbraw/zinc/32/67/16/455326716.db2.gz AOXWHNUDXWMIFH-UHFFFAOYSA-N 2 2 335.451 3.321 20 30 EGEDLP COCc1ccccc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181435242 455334350 /nfs/dbraw/zinc/33/43/50/455334350.db2.gz FBMJYLOQJLNAJF-UHFFFAOYSA-N 2 2 349.478 3.459 20 30 EGEDLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H]3CCC[C@H](C#N)C3)CC2)c1 ZINC000185766029 455618058 /nfs/dbraw/zinc/61/80/58/455618058.db2.gz XKCIBOWVCIFPCI-VQTJNVASSA-N 2 2 340.515 3.179 20 30 EGEDLP N#Cc1cccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1F ZINC000348331664 456629116 /nfs/dbraw/zinc/62/91/16/456629116.db2.gz RBFMCJYLDGFHTA-PMACEKPBSA-N 2 2 335.426 3.261 20 30 EGEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(OC(F)F)c1 ZINC000347124011 457241251 /nfs/dbraw/zinc/24/12/51/457241251.db2.gz ILUJJFKPDBRMLY-MRXNPFEDSA-N 2 2 345.349 3.208 20 30 EGEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(OC(F)F)c1 ZINC000347124011 457241259 /nfs/dbraw/zinc/24/12/59/457241259.db2.gz ILUJJFKPDBRMLY-MRXNPFEDSA-N 2 2 345.349 3.208 20 30 EGEDLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CCC(C)(C)C#N)[C@H]1c1cnn(C)c1 ZINC000347163594 457265179 /nfs/dbraw/zinc/26/51/79/457265179.db2.gz JJXGLXJREVQZDB-WMZOPIPTSA-N 2 2 331.508 3.065 20 30 EGEDLP CC[N@H+]1CCC[C@@H](C[NH+](C)CCC(C)(C)C#N)[C@H]1c1cnn(C)c1 ZINC000347163594 457265180 /nfs/dbraw/zinc/26/51/80/457265180.db2.gz JJXGLXJREVQZDB-WMZOPIPTSA-N 2 2 331.508 3.065 20 30 EGEDLP CC[NH+]1CCC[C@@H](C[N@H+](C)CCC(C)(C)C#N)[C@H]1c1cnn(C)c1 ZINC000347163594 457265181 /nfs/dbraw/zinc/26/51/81/457265181.db2.gz JJXGLXJREVQZDB-WMZOPIPTSA-N 2 2 331.508 3.065 20 30 EGEDLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CCC(C)(C)C#N)[C@H]1c1cnn(C)c1 ZINC000347163594 457265187 /nfs/dbraw/zinc/26/51/87/457265187.db2.gz JJXGLXJREVQZDB-WMZOPIPTSA-N 2 2 331.508 3.065 20 30 EGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361058461 457553713 /nfs/dbraw/zinc/55/37/13/457553713.db2.gz QDLDRSFQIZETMR-SFHVURJKSA-N 2 2 346.519 3.188 20 30 EGEDLP C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000370670222 457696543 /nfs/dbraw/zinc/69/65/43/457696543.db2.gz YJYOLQZQDVZFNL-MRXNPFEDSA-N 2 2 332.407 3.130 20 30 EGEDLP CC1(C#N)CCC([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000449090188 458419807 /nfs/dbraw/zinc/41/98/07/458419807.db2.gz MJHYCSRXFNXPEF-UHFFFAOYSA-N 2 2 327.472 3.081 20 30 EGEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000449120600 458420764 /nfs/dbraw/zinc/42/07/64/458420764.db2.gz DNLXOVBHOZRWPX-UHFFFAOYSA-N 2 2 327.241 3.328 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422640255 458429053 /nfs/dbraw/zinc/42/90/53/458429053.db2.gz VHFVZOKDMDOAQE-PMPSAXMXSA-N 2 2 347.528 3.208 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422640255 458429059 /nfs/dbraw/zinc/42/90/59/458429059.db2.gz VHFVZOKDMDOAQE-PMPSAXMXSA-N 2 2 347.528 3.208 20 30 EGEDLP Cc1cc(C)c(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000449736293 458430045 /nfs/dbraw/zinc/43/00/45/458430045.db2.gz UYDPZDVREOWCGB-UHFFFAOYSA-N 2 2 334.467 3.324 20 30 EGEDLP C[C@H](Cc1ccccn1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000594513104 459071039 /nfs/dbraw/zinc/07/10/39/459071039.db2.gz BIAVXMNNLVYEAX-QGZVFWFLSA-N 2 2 334.467 3.138 20 30 EGEDLP N#Cc1ccccc1OCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595509592 459330560 /nfs/dbraw/zinc/33/05/60/459330560.db2.gz FPZWAXKYBYNURS-UHFFFAOYSA-N 2 2 335.451 3.191 20 30 EGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccncc3Cl)CC2)c1 ZINC000598982452 460116122 /nfs/dbraw/zinc/11/61/22/460116122.db2.gz VGQJJOCEDNPBNQ-UHFFFAOYSA-N 2 2 340.858 3.361 20 30 EGEDLP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000618804464 460183304 /nfs/dbraw/zinc/18/33/04/460183304.db2.gz AIMGRDGRYPXQOO-NRFANRHFSA-N 2 2 332.451 3.195 20 30 EGEDLP C=C(C[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)c1ccccc1 ZINC000644647317 462021786 /nfs/dbraw/zinc/02/17/86/462021786.db2.gz OJTJTFWVFUMCTA-IBGZPJMESA-N 2 2 335.451 3.317 20 30 EGEDLP C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000728712879 574767754 /nfs/dbraw/zinc/76/77/54/574767754.db2.gz BVNITEIBBCTJKE-FXAWDEMLSA-N 2 2 335.451 3.342 20 30 EGEDLP C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000728712879 574767755 /nfs/dbraw/zinc/76/77/55/574767755.db2.gz BVNITEIBBCTJKE-FXAWDEMLSA-N 2 2 335.451 3.342 20 30 EGEDLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000743389227 576807924 /nfs/dbraw/zinc/80/79/24/576807924.db2.gz ZANNSDQCEWBUJL-SFHVURJKSA-N 2 2 337.471 3.043 20 30 EGEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000743389227 576807925 /nfs/dbraw/zinc/80/79/25/576807925.db2.gz ZANNSDQCEWBUJL-SFHVURJKSA-N 2 2 337.471 3.043 20 30 EGEDLP [NH2+]=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)Nc1ccccc1 ZINC000263270187 1296673421 /nfs/dbraw/zinc/67/34/21/1296673421.db2.gz OSFLVXAPFRKHRV-SFHVURJKSA-N 2 2 340.496 3.031 20 30 EGEDLP [NH2+]=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)Nc1ccccc1 ZINC000263270187 1296673443 /nfs/dbraw/zinc/67/34/43/1296673443.db2.gz OSFLVXAPFRKHRV-SFHVURJKSA-N 2 2 340.496 3.031 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3CCC4(COC4)CC3)CC2)cc1 ZINC000883380626 1302422597 /nfs/dbraw/zinc/42/25/97/1302422597.db2.gz UMLFKKRVCBGHFO-UHFFFAOYSA-N 2 2 339.483 3.071 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCNc3ccccc3)CC2)cc1 ZINC000776163476 1304104992 /nfs/dbraw/zinc/10/49/92/1304104992.db2.gz RVEKDJSHFOHEGW-UHFFFAOYSA-N 2 2 334.467 3.224 20 30 EGEDLP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3c(C)cc(C)[nH+]c3C)C2)C1 ZINC000961207517 1319333283 /nfs/dbraw/zinc/33/32/83/1319333283.db2.gz GJQYKLGCXLYQOV-RTBURBONSA-N 2 2 341.499 3.367 20 30 EGEDLP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3c(C)cc(C)[nH+]c3C)C2)C1 ZINC000961207517 1319333291 /nfs/dbraw/zinc/33/32/91/1319333291.db2.gz GJQYKLGCXLYQOV-RTBURBONSA-N 2 2 341.499 3.367 20 30 EGEDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000817941363 1319470095 /nfs/dbraw/zinc/47/00/95/1319470095.db2.gz JKKSGQCLQZEXCR-SFTDATJTSA-N 2 2 334.467 3.291 20 30 EGEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1C ZINC001071712507 1354871282 /nfs/dbraw/zinc/87/12/82/1354871282.db2.gz PGOIKRMYSCARBP-AEFFLSMTSA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1C ZINC001071712507 1354871285 /nfs/dbraw/zinc/87/12/85/1354871285.db2.gz PGOIKRMYSCARBP-AEFFLSMTSA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1CC ZINC001037894259 1344166021 /nfs/dbraw/zinc/16/60/21/1344166021.db2.gz SYBJHNPHBCJLMF-QZTJIDSGSA-N 2 2 329.488 3.413 20 30 EGEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCCCCC)CC[C@@H]1C ZINC001132365696 1375330277 /nfs/dbraw/zinc/33/02/77/1375330277.db2.gz OFFJIHDPDBUFHK-IRXDYDNUSA-N 2 2 343.943 3.220 20 30 EGEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)CC[C@@H]1C ZINC001132365696 1375330280 /nfs/dbraw/zinc/33/02/80/1375330280.db2.gz OFFJIHDPDBUFHK-IRXDYDNUSA-N 2 2 343.943 3.220 20 30 EGEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)CC[C@@H]1C ZINC001132365696 1375330285 /nfs/dbraw/zinc/33/02/85/1375330285.db2.gz OFFJIHDPDBUFHK-IRXDYDNUSA-N 2 2 343.943 3.220 20 30 EGEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)CC[C@@H]1C ZINC001132365696 1375330289 /nfs/dbraw/zinc/33/02/89/1375330289.db2.gz OFFJIHDPDBUFHK-IRXDYDNUSA-N 2 2 343.943 3.220 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049551789 1347904476 /nfs/dbraw/zinc/90/44/76/1347904476.db2.gz IXGURIMNMFMJGU-MOPGFXCFSA-N 2 2 338.455 3.208 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049551789 1347904477 /nfs/dbraw/zinc/90/44/77/1347904477.db2.gz IXGURIMNMFMJGU-MOPGFXCFSA-N 2 2 338.455 3.208 20 30 EGEDLP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001184651790 1387503021 /nfs/dbraw/zinc/50/30/21/1387503021.db2.gz INHOHXDICYFTLP-CVEARBPZSA-N 2 2 340.471 3.217 20 30 EGEDLP C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001099264185 1363721581 /nfs/dbraw/zinc/72/15/81/1363721581.db2.gz OVOJEBYFHLQTPQ-SJLPKXTDSA-N 2 2 346.519 3.161 20 30 EGEDLP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001099264185 1363721582 /nfs/dbraw/zinc/72/15/82/1363721582.db2.gz OVOJEBYFHLQTPQ-SJLPKXTDSA-N 2 2 346.519 3.161 20 30 EGEDLP C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001099264185 1363721586 /nfs/dbraw/zinc/72/15/86/1363721586.db2.gz OVOJEBYFHLQTPQ-SJLPKXTDSA-N 2 2 346.519 3.161 20 30 EGEDLP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001099264185 1363721589 /nfs/dbraw/zinc/72/15/89/1363721589.db2.gz OVOJEBYFHLQTPQ-SJLPKXTDSA-N 2 2 346.519 3.161 20 30 EGEDLP CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001104274224 1365974140 /nfs/dbraw/zinc/97/41/40/1365974140.db2.gz ISMXIMRZZYOAQC-QZTJIDSGSA-N 2 2 348.535 3.387 20 30 EGEDLP CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001104274224 1365974142 /nfs/dbraw/zinc/97/41/42/1365974142.db2.gz ISMXIMRZZYOAQC-QZTJIDSGSA-N 2 2 348.535 3.387 20 30 EGEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001106710301 1366777862 /nfs/dbraw/zinc/77/78/62/1366777862.db2.gz FPIICRWMGXGBER-GUDVDZBRSA-N 2 2 346.519 3.265 20 30 EGEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001109824500 1367341813 /nfs/dbraw/zinc/34/18/13/1367341813.db2.gz BAOFSWOKJUZTDF-NQYYFHDYSA-N 2 2 344.503 3.056 20 30 EGEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001109824500 1367341821 /nfs/dbraw/zinc/34/18/21/1367341821.db2.gz BAOFSWOKJUZTDF-NQYYFHDYSA-N 2 2 344.503 3.056 20 30 EGEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001109824500 1367341823 /nfs/dbraw/zinc/34/18/23/1367341823.db2.gz BAOFSWOKJUZTDF-NQYYFHDYSA-N 2 2 344.503 3.056 20 30 EGEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001109824500 1367341830 /nfs/dbraw/zinc/34/18/30/1367341830.db2.gz BAOFSWOKJUZTDF-NQYYFHDYSA-N 2 2 344.503 3.056 20 30 EGEDLP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001192576902 1367822924 /nfs/dbraw/zinc/82/29/24/1367822924.db2.gz ASCSTEIOBFOCAI-MSOLQXFVSA-N 2 2 332.492 3.113 20 30 EGEDLP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001192576902 1367822929 /nfs/dbraw/zinc/82/29/29/1367822929.db2.gz ASCSTEIOBFOCAI-MSOLQXFVSA-N 2 2 332.492 3.113 20 30 EGEDLP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001195845043 1368502364 /nfs/dbraw/zinc/50/23/64/1368502364.db2.gz DSDVIZUJGIHVGT-INIZCTEOSA-N 2 2 340.471 3.145 20 30 EGEDLP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001195845043 1368502366 /nfs/dbraw/zinc/50/23/66/1368502366.db2.gz DSDVIZUJGIHVGT-INIZCTEOSA-N 2 2 340.471 3.145 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001201182499 1369491635 /nfs/dbraw/zinc/49/16/35/1369491635.db2.gz HJWJDDAPNUKLRA-IEBWSBKVSA-N 2 2 346.519 3.406 20 30 EGEDLP CCCCCCC[NH+]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001113683895 1369563762 /nfs/dbraw/zinc/56/37/62/1369563762.db2.gz ARVUTDTYNUYAII-FQEVSTJZSA-N 2 2 345.531 3.404 20 30 EGEDLP CCCCCCC[NH2+]CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001205433575 1370754173 /nfs/dbraw/zinc/75/41/73/1370754173.db2.gz YXJPHPZGMJJZBI-UHFFFAOYSA-N 2 2 334.508 3.141 20 30 EGEDLP CCCCCCC[NH2+]CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001205433575 1370754202 /nfs/dbraw/zinc/75/42/02/1370754202.db2.gz YXJPHPZGMJJZBI-UHFFFAOYSA-N 2 2 334.508 3.141 20 30 EGEDLP C[C@@H]1CC[N@H+](Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)C[C@@H]1[NH3+] ZINC001205868718 1370896169 /nfs/dbraw/zinc/89/61/69/1370896169.db2.gz PDXINNDCUNEOHN-IERDGZPVSA-N 2 2 334.467 3.495 20 30 EGEDLP C[C@@H]1CC[N@@H+](Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)C[C@@H]1[NH3+] ZINC001205868718 1370896175 /nfs/dbraw/zinc/89/61/75/1370896175.db2.gz PDXINNDCUNEOHN-IERDGZPVSA-N 2 2 334.467 3.495 20 30 EGEDLP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001121271708 1371917656 /nfs/dbraw/zinc/91/76/56/1371917656.db2.gz LLVOQCRBGPFVIV-WZXTXQKWSA-N 2 2 344.503 3.063 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)c(O)c1 ZINC001233384267 1376635268 /nfs/dbraw/zinc/63/52/68/1376635268.db2.gz OUEOLKBETSDIGE-UHFFFAOYSA-N 2 2 325.456 3.104 20 30 EGEDLP Cc1cc(N2CC[NH+](Cc3ccc(C#N)nc3)CC2)c2ccccc2[nH+]1 ZINC001140540107 1378081384 /nfs/dbraw/zinc/08/13/84/1378081384.db2.gz JMWXGMPHZMJKIH-UHFFFAOYSA-N 2 2 343.434 3.132 20 30 EGEDLP Cc1ccc[nH+]c1N1CCC[C@]2(CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001280101429 1378328123 /nfs/dbraw/zinc/32/81/23/1378328123.db2.gz FXUPBJMYVWPXLL-OAQYLSRUSA-N 2 2 349.482 3.093 20 30 EGEDLP Cc1ccc[nH+]c1N1CCC[C@]2(CC[N@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001280101429 1378328126 /nfs/dbraw/zinc/32/81/26/1378328126.db2.gz FXUPBJMYVWPXLL-OAQYLSRUSA-N 2 2 349.482 3.093 20 30 EGEDLP CCCCCCC[N@@H+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001148357085 1379156079 /nfs/dbraw/zinc/15/60/79/1379156079.db2.gz BTZPCFYVIXEVAC-SFHVURJKSA-N 2 2 346.519 3.339 20 30 EGEDLP CCCCCCC[N@H+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001148357085 1379156080 /nfs/dbraw/zinc/15/60/80/1379156080.db2.gz BTZPCFYVIXEVAC-SFHVURJKSA-N 2 2 346.519 3.339 20 30 EGEDLP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001153930037 1380157094 /nfs/dbraw/zinc/15/70/94/1380157094.db2.gz DUZJSXGDUVRUQW-QZTJIDSGSA-N 2 2 334.508 3.263 20 30 EGEDLP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001153930037 1380157096 /nfs/dbraw/zinc/15/70/96/1380157096.db2.gz DUZJSXGDUVRUQW-QZTJIDSGSA-N 2 2 334.508 3.263 20 30 EGEDLP C=CCCCCC[N@H+]1CC=C(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001161784722 1382505691 /nfs/dbraw/zinc/50/56/91/1382505691.db2.gz IHKMPYZSDMZDAS-UHFFFAOYSA-N 2 2 344.503 3.145 20 30 EGEDLP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001161784722 1382505694 /nfs/dbraw/zinc/50/56/94/1382505694.db2.gz IHKMPYZSDMZDAS-UHFFFAOYSA-N 2 2 344.503 3.145 20 30 EGEDLP CC(Nc1cc(Cl)nc2nc[nH]c21)=[NH+]Cc1cccc(C[NH3+])c1 ZINC001163472183 1383058513 /nfs/dbraw/zinc/05/85/13/1383058513.db2.gz WDVOWBJRIPERHL-UHFFFAOYSA-N 2 2 328.807 3.101 20 30 EGEDLP Cc1[nH+]c(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)ccc1CC#N ZINC001165306949 1383270348 /nfs/dbraw/zinc/27/03/48/1383270348.db2.gz KPDSZWTWNJYQLG-CQSZACIVSA-N 2 2 338.377 3.109 20 30 EGEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1[nH+]ccc2cc(C)ccc21 ZINC001171068648 1384440700 /nfs/dbraw/zinc/44/07/00/1384440700.db2.gz PKTXFAXAMPFUKD-KRWDZBQOSA-N 2 2 327.428 3.182 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CCCN(CC1CCCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001177447947 1385959698 /nfs/dbraw/zinc/95/96/98/1385959698.db2.gz AVJHEQMORZYXNN-KRWDZBQOSA-N 2 2 346.519 3.305 20 30 EGEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC001179244729 1386429613 /nfs/dbraw/zinc/42/96/13/1386429613.db2.gz DNUZMEWDMGAGKA-LPHOPBHVSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1C ZINC001179841508 1386604446 /nfs/dbraw/zinc/60/44/46/1386604446.db2.gz ZKXABYKQKITBRC-LPHOPBHVSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CCC[C@H](C)[N@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001753155390 1440330336 /nfs/dbraw/zinc/33/03/36/1440330336.db2.gz LBBZUCVOWPPWIG-AWEZNQCLSA-N 2 2 326.444 3.112 20 30 EGEDLP C=CCC[C@H](C)[N@@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001753155390 1440330337 /nfs/dbraw/zinc/33/03/37/1440330337.db2.gz LBBZUCVOWPPWIG-AWEZNQCLSA-N 2 2 326.444 3.112 20 30 EGEDLP C=C(C)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001753796350 1440489908 /nfs/dbraw/zinc/48/99/08/1440489908.db2.gz JYMJVCIQEPGHBF-AEFFLSMTSA-N 2 2 329.488 3.413 20 30 EGEDLP C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001754557086 1440632206 /nfs/dbraw/zinc/63/22/06/1440632206.db2.gz BYSCPCYMMZBVLH-AZUAARDMSA-N 2 2 344.503 3.115 20 30 EGEDLP C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001754557086 1440632207 /nfs/dbraw/zinc/63/22/07/1440632207.db2.gz BYSCPCYMMZBVLH-AZUAARDMSA-N 2 2 344.503 3.115 20 30 EGEDLP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001755194310 1440776152 /nfs/dbraw/zinc/77/61/52/1440776152.db2.gz RXZTYICFCVEZJC-DLBZAZTESA-N 2 2 340.471 3.225 20 30 EGEDLP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001755194310 1440776153 /nfs/dbraw/zinc/77/61/53/1440776153.db2.gz RXZTYICFCVEZJC-DLBZAZTESA-N 2 2 340.471 3.225 20 30 EGEDLP C=CC[NH2+][C@@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)Cc1ccccc1 ZINC001755724524 1440908783 /nfs/dbraw/zinc/90/87/83/1440908783.db2.gz XOKJJCLIHNCAHY-SFHVURJKSA-N 2 2 348.450 3.070 20 30 EGEDLP C=C(Cl)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001755740349 1440911655 /nfs/dbraw/zinc/91/16/55/1440911655.db2.gz VFBIZSQFWUBXDV-HZPDHXFCSA-N 2 2 335.879 3.247 20 30 EGEDLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cccc(C#N)c1 ZINC000344104695 164104572 /nfs/dbraw/zinc/10/45/72/164104572.db2.gz PUTCWKDGDVNTLH-HSQYWUDLSA-N 2 2 349.478 3.092 20 30 EGEDLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cccc(C#N)c1 ZINC000344104695 164104573 /nfs/dbraw/zinc/10/45/73/164104573.db2.gz PUTCWKDGDVNTLH-HSQYWUDLSA-N 2 2 349.478 3.092 20 30 EGEDLP C[NH+](C)Cc1cnc(C[NH2+]CCSCc2ccccc2C#N)s1 ZINC000352245005 165305882 /nfs/dbraw/zinc/30/58/82/165305882.db2.gz AZCWWOFBBFDUHG-UHFFFAOYSA-N 2 2 346.525 3.099 20 30 EGEDLP C[N@H+](Cc1ccc(C#N)cc1Br)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367211025 168193928 /nfs/dbraw/zinc/19/39/28/168193928.db2.gz IKQVWZNZXYVUPJ-XYPWUTKMSA-N 2 2 348.288 3.378 20 30 EGEDLP C[N@@H+](Cc1ccc(C#N)cc1Br)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367211025 168193929 /nfs/dbraw/zinc/19/39/29/168193929.db2.gz IKQVWZNZXYVUPJ-XYPWUTKMSA-N 2 2 348.288 3.378 20 30 EGEDLP C[NH+](Cc1ccc(C#N)cc1Br)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367211025 168193931 /nfs/dbraw/zinc/19/39/31/168193931.db2.gz IKQVWZNZXYVUPJ-XYPWUTKMSA-N 2 2 348.288 3.378 20 30 EGEDLP C[NH+](Cc1ccc(C#N)cc1Br)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367211025 168193932 /nfs/dbraw/zinc/19/39/32/168193932.db2.gz IKQVWZNZXYVUPJ-XYPWUTKMSA-N 2 2 348.288 3.378 20 30 EGEDLP C[C@@H]1C[NH+](CCC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)C[C@@H](C)O1 ZINC000360838331 274347866 /nfs/dbraw/zinc/34/78/66/274347866.db2.gz BYXWYFHGPQARPC-LZJOCLMNSA-N 2 2 341.499 3.415 20 30 EGEDLP C[N@H+](Cc1cc(C#N)cs1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645350 454599279 /nfs/dbraw/zinc/59/92/79/454599279.db2.gz JUENIZYAXPKGDP-UHFFFAOYSA-N 2 2 340.496 3.154 20 30 EGEDLP C[N@@H+](Cc1cc(C#N)cs1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645350 454599282 /nfs/dbraw/zinc/59/92/82/454599282.db2.gz JUENIZYAXPKGDP-UHFFFAOYSA-N 2 2 340.496 3.154 20 30 EGEDLP CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000135221622 454649065 /nfs/dbraw/zinc/64/90/65/454649065.db2.gz JDNFECKQIWOTPJ-GOSISDBHSA-N 2 2 341.499 3.032 20 30 EGEDLP CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000135221622 454649070 /nfs/dbraw/zinc/64/90/70/454649070.db2.gz JDNFECKQIWOTPJ-GOSISDBHSA-N 2 2 341.499 3.032 20 30 EGEDLP C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000127674745 454986555 /nfs/dbraw/zinc/98/65/55/454986555.db2.gz BMLBFFMDRFBFMP-JOCHJYFZSA-N 2 2 349.478 3.188 20 30 EGEDLP C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000127674745 454986557 /nfs/dbraw/zinc/98/65/57/454986557.db2.gz BMLBFFMDRFBFMP-JOCHJYFZSA-N 2 2 349.478 3.188 20 30 EGEDLP C=CCCCC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000178877249 454986677 /nfs/dbraw/zinc/98/66/77/454986677.db2.gz AMGHKJPBAOEBGM-MOPGFXCFSA-N 2 2 335.536 3.138 20 30 EGEDLP C=CCCCC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178877249 454986683 /nfs/dbraw/zinc/98/66/83/454986683.db2.gz AMGHKJPBAOEBGM-MOPGFXCFSA-N 2 2 335.536 3.138 20 30 EGEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000179880356 455093097 /nfs/dbraw/zinc/09/30/97/455093097.db2.gz FHCSUTGHUNDLCU-YLJYHZDGSA-N 2 2 335.451 3.342 20 30 EGEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000179880356 455093101 /nfs/dbraw/zinc/09/31/01/455093101.db2.gz FHCSUTGHUNDLCU-YLJYHZDGSA-N 2 2 335.451 3.342 20 30 EGEDLP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000279832893 455874827 /nfs/dbraw/zinc/87/48/27/455874827.db2.gz QKIRHJXEZSMKBI-UHFFFAOYSA-N 2 2 333.439 3.392 20 30 EGEDLP C[NH+](C)[C@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)c1cccs1 ZINC000262391175 456032157 /nfs/dbraw/zinc/03/21/57/456032157.db2.gz YUFFNQJMDCWTON-MRXNPFEDSA-N 2 2 328.485 3.266 20 30 EGEDLP Cn1cc(C[NH2+][C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1C#N ZINC000289242721 456119375 /nfs/dbraw/zinc/11/93/75/456119375.db2.gz AALVGQFUGSQLNZ-UXHICEINSA-N 2 2 331.423 3.112 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000338168228 456680492 /nfs/dbraw/zinc/68/04/92/456680492.db2.gz FIWRTSWDDKSSLS-OAQYLSRUSA-N 2 2 336.483 3.391 20 30 EGEDLP COc1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)ccc1C#N ZINC000349416703 456965355 /nfs/dbraw/zinc/96/53/55/456965355.db2.gz LBZBLWWLRFHQQM-UHFFFAOYSA-N 2 2 338.455 3.456 20 30 EGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1OC ZINC000354174697 457110706 /nfs/dbraw/zinc/11/07/06/457110706.db2.gz DALSWHDWFVWMHB-FQEVSTJZSA-N 2 2 330.472 3.178 20 30 EGEDLP C=CCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1OC ZINC000354174697 457110713 /nfs/dbraw/zinc/11/07/13/457110713.db2.gz DALSWHDWFVWMHB-FQEVSTJZSA-N 2 2 330.472 3.178 20 30 EGEDLP C=CCOc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1OC ZINC000354174697 457110719 /nfs/dbraw/zinc/11/07/19/457110719.db2.gz DALSWHDWFVWMHB-FQEVSTJZSA-N 2 2 330.472 3.178 20 30 EGEDLP C=CCOc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1OC ZINC000354174697 457110725 /nfs/dbraw/zinc/11/07/25/457110725.db2.gz DALSWHDWFVWMHB-FQEVSTJZSA-N 2 2 330.472 3.178 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)CC1 ZINC000361222347 457652964 /nfs/dbraw/zinc/65/29/64/457652964.db2.gz YOAZXPMQVGDJBZ-AWEZNQCLSA-N 2 2 327.472 3.217 20 30 EGEDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000358136809 457808321 /nfs/dbraw/zinc/80/83/21/457808321.db2.gz GBBXEZVIQXUMFI-NZJQCLFZSA-N 2 2 339.483 3.321 20 30 EGEDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000358136809 457808324 /nfs/dbraw/zinc/80/83/24/457808324.db2.gz GBBXEZVIQXUMFI-NZJQCLFZSA-N 2 2 339.483 3.321 20 30 EGEDLP C=CC[NH+]1CCC([NH2+]Cc2cn(-c3cccc(F)c3)nc2C)CC1 ZINC000414332791 458317610 /nfs/dbraw/zinc/31/76/10/458317610.db2.gz LULGBTFENHCZIQ-UHFFFAOYSA-N 2 2 328.435 3.060 20 30 EGEDLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000576898604 458942362 /nfs/dbraw/zinc/94/23/62/458942362.db2.gz JSPKUGPCUBXNCC-QGZVFWFLSA-N 2 2 341.499 3.173 20 30 EGEDLP C[C@@H]1COCC[N@H+]1C1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000576898604 458942365 /nfs/dbraw/zinc/94/23/65/458942365.db2.gz JSPKUGPCUBXNCC-QGZVFWFLSA-N 2 2 341.499 3.173 20 30 EGEDLP Cc1cc(Br)cn2cc(CC[NH2+][C@H]3CC[C@@H](C#N)C3)[nH+]c12 ZINC000442845008 459044610 /nfs/dbraw/zinc/04/46/10/459044610.db2.gz XESIVGDKEDVPST-OCCSQVGLSA-N 2 2 347.260 3.230 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC000496458189 459200338 /nfs/dbraw/zinc/20/03/38/459200338.db2.gz FUOKHINKXHMPSR-NVXWUHKLSA-N 2 2 337.508 3.014 20 30 EGEDLP COC1([C@H](C)[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CCC1 ZINC000595047983 459228415 /nfs/dbraw/zinc/22/84/15/459228415.db2.gz UTBOVOFTUPLQKO-INIZCTEOSA-N 2 2 327.472 3.070 20 30 EGEDLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000591770816 459432861 /nfs/dbraw/zinc/43/28/61/459432861.db2.gz JWSDEODIEMNBJZ-IRLDBZIGSA-N 2 2 349.478 3.018 20 30 EGEDLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000591770816 459432865 /nfs/dbraw/zinc/43/28/65/459432865.db2.gz JWSDEODIEMNBJZ-IRLDBZIGSA-N 2 2 349.478 3.018 20 30 EGEDLP Cc1ccc(CCC[NH+]2CCN(c3ccsc3C#N)CC2)c[nH+]1 ZINC000597183140 459865926 /nfs/dbraw/zinc/86/59/26/459865926.db2.gz JGACDZATIMFJHI-UHFFFAOYSA-N 2 2 326.469 3.078 20 30 EGEDLP N#Cc1cccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593688927 459950184 /nfs/dbraw/zinc/95/01/84/459950184.db2.gz YOBFCUBVLNJGJS-UHFFFAOYSA-N 2 2 330.435 3.184 20 30 EGEDLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cc(C#N)cs3)CC2)cc1 ZINC000177706449 1294688156 /nfs/dbraw/zinc/68/81/56/1294688156.db2.gz YTNLWUVGJAUINL-UHFFFAOYSA-N 2 2 340.496 3.444 20 30 EGEDLP CCCC[NH+]=C(NCCCn1cc[nH+]c1)NCc1ccc(C)cc1 ZINC000303705468 1296845479 /nfs/dbraw/zinc/84/54/79/1296845479.db2.gz KYYCCXVSRLRPET-UHFFFAOYSA-N 2 2 327.476 3.117 20 30 EGEDLP COc1ccc(NC(=[NH2+])NC[C@H](c2ccccc2)[NH+](C)C)cc1Cl ZINC000303717556 1296847557 /nfs/dbraw/zinc/84/75/57/1296847557.db2.gz UFRBYBHXQCJYIK-MRXNPFEDSA-N 2 2 346.862 3.378 20 30 EGEDLP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)CC1 ZINC000957614415 1317496871 /nfs/dbraw/zinc/49/68/71/1317496871.db2.gz GZSCNURLLQZXAP-SFHVURJKSA-N 2 2 344.503 3.115 20 30 EGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000815652781 1319036559 /nfs/dbraw/zinc/03/65/59/1319036559.db2.gz SPBOEKIMNFKOBR-OAHLLOKOSA-N 2 2 328.378 3.407 20 30 EGEDLP C#CC[N@H+](C)CCC[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000815652781 1319036567 /nfs/dbraw/zinc/03/65/67/1319036567.db2.gz SPBOEKIMNFKOBR-OAHLLOKOSA-N 2 2 328.378 3.407 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000825222599 1320319993 /nfs/dbraw/zinc/31/99/93/1320319993.db2.gz KMAYANYRKKAJJX-UHFFFAOYSA-N 2 2 339.277 3.285 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCN(c3cc[nH+]cc3C(F)(F)F)CC2)cc1 ZINC000865408547 1329692916 /nfs/dbraw/zinc/69/29/16/1329692916.db2.gz XDBGJKMKLWFQLW-UHFFFAOYSA-N 2 2 346.356 3.294 20 30 EGEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC001044694043 1346405209 /nfs/dbraw/zinc/40/52/09/1346405209.db2.gz RBJXTCVFKPUKEG-WMZOPIPTSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CCC[C@H](C)[NH2+]C[C@]1(C)CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001183575303 1387320172 /nfs/dbraw/zinc/32/01/72/1387320172.db2.gz OGUXACAGKCHSBW-WSTZPKSXSA-N 2 2 346.519 3.092 20 30 EGEDLP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001184651792 1387503111 /nfs/dbraw/zinc/50/31/11/1387503111.db2.gz INHOHXDICYFTLP-HZPDHXFCSA-N 2 2 340.471 3.217 20 30 EGEDLP C=CCC[NH2+]C[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001184850851 1387549136 /nfs/dbraw/zinc/54/91/36/1387549136.db2.gz HSPUUKLHZOEVSG-MAUKXSAKSA-N 2 2 329.488 3.271 20 30 EGEDLP CCCCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099357941 1363770838 /nfs/dbraw/zinc/77/08/38/1363770838.db2.gz CLHLYAODFSNWNA-GOSISDBHSA-N 2 2 348.535 3.460 20 30 EGEDLP CCCCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099357941 1363770841 /nfs/dbraw/zinc/77/08/41/1363770841.db2.gz CLHLYAODFSNWNA-GOSISDBHSA-N 2 2 348.535 3.460 20 30 EGEDLP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102073412 1364837965 /nfs/dbraw/zinc/83/79/65/1364837965.db2.gz XDPOZFWTMHLTFI-QRVBRYPASA-N 2 2 346.519 3.121 20 30 EGEDLP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102073412 1364837969 /nfs/dbraw/zinc/83/79/69/1364837969.db2.gz XDPOZFWTMHLTFI-QRVBRYPASA-N 2 2 346.519 3.121 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001102926550 1365295890 /nfs/dbraw/zinc/29/58/90/1365295890.db2.gz IFZSJCHEWPWJND-QZTJIDSGSA-N 2 2 348.535 3.387 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001102926550 1365295893 /nfs/dbraw/zinc/29/58/93/1365295893.db2.gz IFZSJCHEWPWJND-QZTJIDSGSA-N 2 2 348.535 3.387 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001104909149 1366219794 /nfs/dbraw/zinc/21/97/94/1366219794.db2.gz ZRWPVURDZGROMZ-IXDOHACOSA-N 2 2 346.519 3.116 20 30 EGEDLP C=CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)CCC1 ZINC001105566948 1366535138 /nfs/dbraw/zinc/53/51/38/1366535138.db2.gz ZZTQYCNUBYRISI-SFHVURJKSA-N 2 2 344.503 3.059 20 30 EGEDLP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001111784494 1368460180 /nfs/dbraw/zinc/46/01/80/1368460180.db2.gz MSQFVEXKWKNNJW-NSHGMRRFSA-N 2 2 344.503 3.017 20 30 EGEDLP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001111784494 1368460182 /nfs/dbraw/zinc/46/01/82/1368460182.db2.gz MSQFVEXKWKNNJW-NSHGMRRFSA-N 2 2 344.503 3.017 20 30 EGEDLP C=C(C)CN(CC)C(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001198018696 1368943378 /nfs/dbraw/zinc/94/33/78/1368943378.db2.gz KLWPKZBYVCAMDB-UHFFFAOYSA-N 2 2 331.504 3.108 20 30 EGEDLP C=C(C)CN(CC)C(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001198018696 1368943384 /nfs/dbraw/zinc/94/33/84/1368943384.db2.gz KLWPKZBYVCAMDB-UHFFFAOYSA-N 2 2 331.504 3.108 20 30 EGEDLP CCCCCCC[NH2+][C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C12CCC2 ZINC001203242816 1370037301 /nfs/dbraw/zinc/03/73/01/1370037301.db2.gz XDVUUWJWWSOTQO-ZWKOTPCHSA-N 2 2 346.519 3.261 20 30 EGEDLP C=CCCC[NH2+]CC1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001205500503 1370773314 /nfs/dbraw/zinc/77/33/14/1370773314.db2.gz YTZYDKDBYGXCQU-IBGZPJMESA-N 2 2 346.519 3.265 20 30 EGEDLP CCCCCCC[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CCCCC1 ZINC001120010441 1371454052 /nfs/dbraw/zinc/45/40/52/1371454052.db2.gz RSHRXITTYYXGCJ-UHFFFAOYSA-N 2 2 348.535 3.342 20 30 EGEDLP C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001208050535 1371581323 /nfs/dbraw/zinc/58/13/23/1371581323.db2.gz ZSXIWBMTICQHER-QAPCUYQASA-N 2 2 340.471 3.192 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001208559730 1371817502 /nfs/dbraw/zinc/81/75/02/1371817502.db2.gz XKSPWOFVXNWYDM-JFIYKMOQSA-N 2 2 344.503 3.013 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001208559730 1371817506 /nfs/dbraw/zinc/81/75/06/1371817506.db2.gz XKSPWOFVXNWYDM-JFIYKMOQSA-N 2 2 344.503 3.013 20 30 EGEDLP C=CCCC[NH2+][C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001208808169 1371902871 /nfs/dbraw/zinc/90/28/71/1371902871.db2.gz VKIJXBDBWMDAMC-SFHVURJKSA-N 2 2 338.455 3.033 20 30 EGEDLP N#Cc1ccc(CC[N@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)cc1 ZINC001208927364 1371948653 /nfs/dbraw/zinc/94/86/53/1371948653.db2.gz YOXUHRXCNATINN-BGYRXZFFSA-N 2 2 335.451 3.148 20 30 EGEDLP N#Cc1ccc(CC[N@@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)cc1 ZINC001208927364 1371948663 /nfs/dbraw/zinc/94/86/63/1371948663.db2.gz YOXUHRXCNATINN-BGYRXZFFSA-N 2 2 335.451 3.148 20 30 EGEDLP N#Cc1ccc(CC[NH+]2C[C@H]3C[C@@H](C2)C[N@@H+](Cc2ccco2)C3)cc1 ZINC001208927364 1371948675 /nfs/dbraw/zinc/94/86/75/1371948675.db2.gz YOXUHRXCNATINN-BGYRXZFFSA-N 2 2 335.451 3.148 20 30 EGEDLP N#Cc1ccc(CC[NH+]2C[C@H]3C[C@@H](C2)C[N@H+](Cc2ccco2)C3)cc1 ZINC001208927364 1371948683 /nfs/dbraw/zinc/94/86/83/1371948683.db2.gz YOXUHRXCNATINN-BGYRXZFFSA-N 2 2 335.451 3.148 20 30 EGEDLP CCCCCCC[NH2+][C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001210674287 1372404470 /nfs/dbraw/zinc/40/44/70/1372404470.db2.gz RARDNUNTFJDYSX-INIZCTEOSA-N 2 2 334.508 3.238 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132030212 1375106428 /nfs/dbraw/zinc/10/64/28/1375106428.db2.gz SPGDZXHJMZODBI-SJORKVTESA-N 2 2 334.508 3.282 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132030212 1375106432 /nfs/dbraw/zinc/10/64/32/1375106432.db2.gz SPGDZXHJMZODBI-SJORKVTESA-N 2 2 334.508 3.282 20 30 EGEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@@H]1C ZINC001132041518 1375112886 /nfs/dbraw/zinc/11/28/86/1375112886.db2.gz GBVXBUAYYATBRK-YJBOKZPZSA-N 2 2 340.471 3.192 20 30 EGEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@@H]1C ZINC001132041518 1375112888 /nfs/dbraw/zinc/11/28/88/1375112888.db2.gz GBVXBUAYYATBRK-YJBOKZPZSA-N 2 2 340.471 3.192 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)CC[C@H]1C ZINC001132196228 1375202218 /nfs/dbraw/zinc/20/22/18/1375202218.db2.gz ZYNHDBXZFYXCTJ-MSOLQXFVSA-N 2 2 348.535 3.292 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)CC[C@H]1C ZINC001132196228 1375202225 /nfs/dbraw/zinc/20/22/25/1375202225.db2.gz ZYNHDBXZFYXCTJ-MSOLQXFVSA-N 2 2 348.535 3.292 20 30 EGEDLP C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001234313208 1376803744 /nfs/dbraw/zinc/80/37/44/1376803744.db2.gz BMOVTMGCZLYKBE-MAUKXSAKSA-N 2 2 340.471 3.144 20 30 EGEDLP C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001234313208 1376803745 /nfs/dbraw/zinc/80/37/45/1376803745.db2.gz BMOVTMGCZLYKBE-MAUKXSAKSA-N 2 2 340.471 3.144 20 30 EGEDLP CCCCCCCOc1ccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235052317 1376843551 /nfs/dbraw/zinc/84/35/51/1376843551.db2.gz OVTDICLLTQHUDM-OAQYLSRUSA-N 2 2 345.531 3.173 20 30 EGEDLP CCCCCCCOc1ccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235052317 1376843558 /nfs/dbraw/zinc/84/35/58/1376843558.db2.gz OVTDICLLTQHUDM-OAQYLSRUSA-N 2 2 345.531 3.173 20 30 EGEDLP C#CCOc1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1OC ZINC001138347846 1377707815 /nfs/dbraw/zinc/70/78/15/1377707815.db2.gz LTQKSRMKIMWMEK-UHFFFAOYSA-N 2 2 330.472 3.012 20 30 EGEDLP C#CCOc1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1OC ZINC001138347846 1377707818 /nfs/dbraw/zinc/70/78/18/1377707818.db2.gz LTQKSRMKIMWMEK-UHFFFAOYSA-N 2 2 330.472 3.012 20 30 EGEDLP N#Cc1ccc2cc[nH+]c(NCC[C@@H]3C[NH2+]Cc4cccn4C3)c2c1 ZINC001155454007 1380455719 /nfs/dbraw/zinc/45/57/19/1380455719.db2.gz RSVWAMSSOICCIA-MRXNPFEDSA-N 2 2 331.423 3.130 20 30 EGEDLP CCCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001158750513 1381382728 /nfs/dbraw/zinc/38/27/28/1381382728.db2.gz KVEOHXKOJIPTMT-GOSISDBHSA-N 2 2 348.535 3.246 20 30 EGEDLP CCCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001158750513 1381382731 /nfs/dbraw/zinc/38/27/31/1381382731.db2.gz KVEOHXKOJIPTMT-GOSISDBHSA-N 2 2 348.535 3.246 20 30 EGEDLP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001161356400 1382382339 /nfs/dbraw/zinc/38/23/39/1382382339.db2.gz NWMVKPMWQSQXNS-ZWKOTPCHSA-N 2 2 344.503 3.327 20 30 EGEDLP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001161356400 1382382342 /nfs/dbraw/zinc/38/23/42/1382382342.db2.gz NWMVKPMWQSQXNS-ZWKOTPCHSA-N 2 2 344.503 3.327 20 30 EGEDLP CCCCCCC[NH2+]CC1(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001164334968 1383178527 /nfs/dbraw/zinc/17/85/27/1383178527.db2.gz OBXDVAXVBGDILE-UHFFFAOYSA-N 2 2 334.508 3.189 20 30 EGEDLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(C#N)(c3ccccc3F)CC1)C2 ZINC001169163344 1384117501 /nfs/dbraw/zinc/11/75/01/1384117501.db2.gz XVCQZZFWPLAAMJ-FVQHAEBGSA-N 2 2 327.447 3.308 20 30 EGEDLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(C#N)(c3ccccc3F)CC1)C2 ZINC001169163344 1384117504 /nfs/dbraw/zinc/11/75/04/1384117504.db2.gz XVCQZZFWPLAAMJ-FVQHAEBGSA-N 2 2 327.447 3.308 20 30 EGEDLP C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001699870102 1413316532 /nfs/dbraw/zinc/31/65/32/1413316532.db2.gz WZJGFURSHBUKCN-SFHVURJKSA-N 2 2 346.862 3.147 20 30 EGEDLP C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001699870102 1413316537 /nfs/dbraw/zinc/31/65/37/1413316537.db2.gz WZJGFURSHBUKCN-SFHVURJKSA-N 2 2 346.862 3.147 20 30 EGEDLP C=CCC[C@H](C)[NH2+]C1(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001754526541 1440621242 /nfs/dbraw/zinc/62/12/42/1440621242.db2.gz OAWNRUUZTZJTJO-INIZCTEOSA-N 2 2 338.455 3.079 20 30 EGEDLP C=CCCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001754557277 1440632166 /nfs/dbraw/zinc/63/21/66/1440632166.db2.gz FGAFTNNPGXMRHW-FQEVSTJZSA-N 2 2 344.503 3.013 20 30 EGEDLP C=CCCCCC[N@H+]1CCC[C@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001754557277 1440632167 /nfs/dbraw/zinc/63/21/67/1440632167.db2.gz FGAFTNNPGXMRHW-FQEVSTJZSA-N 2 2 344.503 3.013 20 30 EGEDLP C=CC[N@H+]1Cc2ccc(CNC(=O)[C@@H](c3ccccc3)[NH+](C)C)cc2C1 ZINC001755101684 1440752894 /nfs/dbraw/zinc/75/28/94/1440752894.db2.gz YLPNJISLEIBIFZ-OAQYLSRUSA-N 2 2 349.478 3.107 20 30 EGEDLP C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H](c3ccccc3)[NH+](C)C)cc2C1 ZINC001755101684 1440752895 /nfs/dbraw/zinc/75/28/95/1440752895.db2.gz YLPNJISLEIBIFZ-OAQYLSRUSA-N 2 2 349.478 3.107 20 30 EGEDLP CCCCCCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC001755143602 1440762243 /nfs/dbraw/zinc/76/22/43/1440762243.db2.gz LVGAXLVBSUEHRJ-SFHVURJKSA-N 2 2 348.535 3.448 20 30 EGEDLP CCCCCCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC001755143602 1440762244 /nfs/dbraw/zinc/76/22/44/1440762244.db2.gz LVGAXLVBSUEHRJ-SFHVURJKSA-N 2 2 348.535 3.448 20 30 EGEDLP C=CC[N@@H+](CC)CC1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001755181761 1440771240 /nfs/dbraw/zinc/77/12/40/1440771240.db2.gz APZBDMQGXQWXDM-UHFFFAOYSA-N 2 2 340.471 3.003 20 30 EGEDLP C=CC[N@H+](CC)CC1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001755181761 1440771241 /nfs/dbraw/zinc/77/12/41/1440771241.db2.gz APZBDMQGXQWXDM-UHFFFAOYSA-N 2 2 340.471 3.003 20 30 EGEDLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000351591718 144285027 /nfs/dbraw/zinc/28/50/27/144285027.db2.gz GPOMTFHVHSYYIY-KSFYIVLOSA-N 2 2 349.478 3.331 20 30 EGEDLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000351591718 144285030 /nfs/dbraw/zinc/28/50/30/144285030.db2.gz GPOMTFHVHSYYIY-KSFYIVLOSA-N 2 2 349.478 3.331 20 30 EGEDLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459408186 267059815 /nfs/dbraw/zinc/05/98/15/267059815.db2.gz MTWCXEYORSJRCR-FUHWJXTLSA-N 2 2 344.459 3.457 20 30 EGEDLP C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420899474 267315201 /nfs/dbraw/zinc/31/52/01/267315201.db2.gz HBPZWHBCCDNTCN-UHFFFAOYSA-N 2 2 335.451 3.022 20 30 EGEDLP C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420899474 267315203 /nfs/dbraw/zinc/31/52/03/267315203.db2.gz HBPZWHBCCDNTCN-UHFFFAOYSA-N 2 2 335.451 3.022 20 30 EGEDLP COCC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCC1 ZINC000449741363 267437323 /nfs/dbraw/zinc/43/73/23/267437323.db2.gz KCCRVNNQNCUIJH-UHFFFAOYSA-N 2 2 341.499 3.319 20 30 EGEDLP Cc1cc(Br)cn2cc(CC[NH2+][C@H]3CC[C@H](C#N)C3)[nH+]c12 ZINC000442845006 459044433 /nfs/dbraw/zinc/04/44/33/459044433.db2.gz XESIVGDKEDVPST-JSGCOSHPSA-N 2 2 347.260 3.230 20 30 EGEDLP C=CCc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc(OC)c1O ZINC000092072144 454515561 /nfs/dbraw/zinc/51/55/61/454515561.db2.gz AUXXNAOMDPNMFN-INIZCTEOSA-N 2 2 327.428 3.232 20 30 EGEDLP C=CCc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc(OC)c1O ZINC000092072144 454515567 /nfs/dbraw/zinc/51/55/67/454515567.db2.gz AUXXNAOMDPNMFN-INIZCTEOSA-N 2 2 327.428 3.232 20 30 EGEDLP C=CCCCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000178877259 454986699 /nfs/dbraw/zinc/98/66/99/454986699.db2.gz AMGHKJPBAOEBGM-OALUTQOASA-N 2 2 335.536 3.138 20 30 EGEDLP C=CCCCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178877259 454986704 /nfs/dbraw/zinc/98/67/04/454986704.db2.gz AMGHKJPBAOEBGM-OALUTQOASA-N 2 2 335.536 3.138 20 30 EGEDLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc(C#N)ccc3Br)C2)C1 ZINC000292969743 455769093 /nfs/dbraw/zinc/76/90/93/455769093.db2.gz MEKKUABLHSSPMZ-KRWDZBQOSA-N 2 2 348.288 3.238 20 30 EGEDLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(C#N)ccc3Br)C2)C1 ZINC000292969743 455769097 /nfs/dbraw/zinc/76/90/97/455769097.db2.gz MEKKUABLHSSPMZ-KRWDZBQOSA-N 2 2 348.288 3.238 20 30 EGEDLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc(C#N)ccc3Br)C2)C1 ZINC000292969743 455769101 /nfs/dbraw/zinc/76/91/01/455769101.db2.gz MEKKUABLHSSPMZ-KRWDZBQOSA-N 2 2 348.288 3.238 20 30 EGEDLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc(C#N)ccc3Br)C2)C1 ZINC000292969743 455769104 /nfs/dbraw/zinc/76/91/04/455769104.db2.gz MEKKUABLHSSPMZ-KRWDZBQOSA-N 2 2 348.288 3.238 20 30 EGEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000330243119 457010202 /nfs/dbraw/zinc/01/02/02/457010202.db2.gz CLBPMDPHGUKKNU-SJORKVTESA-N 2 2 347.507 3.218 20 30 EGEDLP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCCC[C@@H]2c2[nH+]ccn2CC)C1 ZINC000330307200 457024122 /nfs/dbraw/zinc/02/41/22/457024122.db2.gz RZBDISICGAICPB-IAGOWNOFSA-N 2 2 347.507 3.076 20 30 EGEDLP CCC[N@H+]1CC[C@H](CNC(=O)N2CCCC[C@@H]2c2[nH+]ccn2CC)C1 ZINC000330307200 457024131 /nfs/dbraw/zinc/02/41/31/457024131.db2.gz RZBDISICGAICPB-IAGOWNOFSA-N 2 2 347.507 3.076 20 30 EGEDLP C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)C1CC[NH+](CCO)CC1 ZINC000358040725 457748129 /nfs/dbraw/zinc/74/81/29/457748129.db2.gz SNUDEBQWERKBLA-UHFFFAOYSA-N 2 2 349.478 3.114 20 30 EGEDLP C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)C1CC[NH+](CCO)CC1 ZINC000358040725 457748133 /nfs/dbraw/zinc/74/81/33/457748133.db2.gz SNUDEBQWERKBLA-UHFFFAOYSA-N 2 2 349.478 3.114 20 30 EGEDLP CC(C)(C)C[N@H+](CCC#N)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420917495 458404789 /nfs/dbraw/zinc/40/47/89/458404789.db2.gz SAWBQKLAMRTKQJ-UHFFFAOYSA-N 2 2 329.488 3.281 20 30 EGEDLP CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420917495 458404792 /nfs/dbraw/zinc/40/47/92/458404792.db2.gz SAWBQKLAMRTKQJ-UHFFFAOYSA-N 2 2 329.488 3.281 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422640253 458429020 /nfs/dbraw/zinc/42/90/20/458429020.db2.gz VHFVZOKDMDOAQE-JYJNAYRXSA-N 2 2 347.528 3.208 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422640253 458429027 /nfs/dbraw/zinc/42/90/27/458429027.db2.gz VHFVZOKDMDOAQE-JYJNAYRXSA-N 2 2 347.528 3.208 20 30 EGEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2OC(F)F)C[C@@H]1C ZINC000437890816 458507697 /nfs/dbraw/zinc/50/76/97/458507697.db2.gz NLPVZKYXASFMCT-BBRMVZONSA-N 2 2 337.414 3.464 20 30 EGEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2OC(F)F)C[C@@H]1C ZINC000437890816 458507704 /nfs/dbraw/zinc/50/77/04/458507704.db2.gz NLPVZKYXASFMCT-BBRMVZONSA-N 2 2 337.414 3.464 20 30 EGEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2OC(F)F)C[C@@H]1C ZINC000437890816 458507710 /nfs/dbraw/zinc/50/77/10/458507710.db2.gz NLPVZKYXASFMCT-BBRMVZONSA-N 2 2 337.414 3.464 20 30 EGEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)C[C@@H]1C ZINC000437890816 458507714 /nfs/dbraw/zinc/50/77/14/458507714.db2.gz NLPVZKYXASFMCT-BBRMVZONSA-N 2 2 337.414 3.464 20 30 EGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)C(C)C ZINC000554050685 458897342 /nfs/dbraw/zinc/89/73/42/458897342.db2.gz SLRJQZZNVVDQTN-XHSDSOJGSA-N 2 2 334.426 3.385 20 30 EGEDLP C[C@@H](Cc1ccccn1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000594513103 459070856 /nfs/dbraw/zinc/07/08/56/459070856.db2.gz BIAVXMNNLVYEAX-KRWDZBQOSA-N 2 2 334.467 3.138 20 30 EGEDLP N#Cc1ccc(N2CCC([NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC000594522533 459079476 /nfs/dbraw/zinc/07/94/76/459079476.db2.gz ZLRTYNYBUCLDHX-LEWJYISDSA-N 2 2 338.499 3.134 20 30 EGEDLP N#Cc1ccc(N2CCC([NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC000594522533 459079482 /nfs/dbraw/zinc/07/94/82/459079482.db2.gz ZLRTYNYBUCLDHX-LEWJYISDSA-N 2 2 338.499 3.134 20 30 EGEDLP COC1([C@@H](C)[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CCC1 ZINC000595047984 459228534 /nfs/dbraw/zinc/22/85/34/459228534.db2.gz UTBOVOFTUPLQKO-MRXNPFEDSA-N 2 2 327.472 3.070 20 30 EGEDLP N#Cc1cccc(OCC[NH+]2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC000595512283 459330139 /nfs/dbraw/zinc/33/01/39/459330139.db2.gz XELWMNNEGISFAF-UHFFFAOYSA-N 2 2 335.451 3.191 20 30 EGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000527656194 459687138 /nfs/dbraw/zinc/68/71/38/459687138.db2.gz DDWHQULUKNYBKY-UHFFFAOYSA-N 2 2 345.231 3.467 20 30 EGEDLP N#Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)nc1 ZINC000573695430 459719791 /nfs/dbraw/zinc/71/97/91/459719791.db2.gz MFPWTSMETZQROK-IRLDBZIGSA-N 2 2 346.478 3.440 20 30 EGEDLP N#Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)nc1 ZINC000573695430 459719796 /nfs/dbraw/zinc/71/97/96/459719796.db2.gz MFPWTSMETZQROK-IRLDBZIGSA-N 2 2 346.478 3.440 20 30 EGEDLP N#Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)nc1 ZINC000573695430 459719802 /nfs/dbraw/zinc/71/98/02/459719802.db2.gz MFPWTSMETZQROK-IRLDBZIGSA-N 2 2 346.478 3.440 20 30 EGEDLP N#Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)nc1 ZINC000573695430 459719805 /nfs/dbraw/zinc/71/98/05/459719805.db2.gz MFPWTSMETZQROK-IRLDBZIGSA-N 2 2 346.478 3.440 20 30 EGEDLP Cc1ncc([C@H](C)[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)c(C)n1 ZINC000593723748 459963836 /nfs/dbraw/zinc/96/38/36/459963836.db2.gz YGXNQWQOJUUCRO-INIZCTEOSA-N 2 2 349.482 3.280 20 30 EGEDLP C=C(C)C[NH+]1CCC(Nc2nc(C)[nH+]c(C)c2Br)CC1 ZINC000663567501 461706596 /nfs/dbraw/zinc/70/65/96/461706596.db2.gz HVDJXSSATVJOQV-UHFFFAOYSA-N 2 2 339.281 3.308 20 30 EGEDLP Cc1ccc(NC(=[NH2+])NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1C ZINC000303782274 1296855278 /nfs/dbraw/zinc/85/52/78/1296855278.db2.gz NBZXWGVNVKXVCI-SFHVURJKSA-N 2 2 328.435 3.472 20 30 EGEDLP [NH2+]=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)NCC1CCC1 ZINC000303884685 1296868183 /nfs/dbraw/zinc/86/81/83/1296868183.db2.gz JHCWHJGLJLECEG-KRWDZBQOSA-N 2 2 334.895 3.181 20 30 EGEDLP CC(=O)[C@](C#N)(CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000878172427 1299796778 /nfs/dbraw/zinc/79/67/78/1299796778.db2.gz HTTSWYDZKGXDDF-HXUWFJFHSA-N 2 2 336.439 3.030 20 30 EGEDLP C#CCCC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000796188250 1309930190 /nfs/dbraw/zinc/93/01/90/1309930190.db2.gz YAAVFKUTZAMMDQ-UHFFFAOYSA-N 2 2 336.233 3.154 20 30 EGEDLP C#CCCC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000796188250 1309930199 /nfs/dbraw/zinc/93/01/99/1309930199.db2.gz YAAVFKUTZAMMDQ-UHFFFAOYSA-N 2 2 336.233 3.154 20 30 EGEDLP C[NH+]1CCN(c2cccc(Cl)c2C=[NH+]OC/C=C\Cl)CC1 ZINC000811672102 1318226018 /nfs/dbraw/zinc/22/60/18/1318226018.db2.gz QBNZOCVJTINCRK-RRMUGKNUSA-N 2 2 328.243 3.195 20 30 EGEDLP N#Cc1ccc(Br)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000921550496 1322349767 /nfs/dbraw/zinc/34/97/67/1322349767.db2.gz RSRPAZWOEPRJKR-CABCVRRESA-N 2 2 334.261 3.037 20 30 EGEDLP N#Cc1ccc(Br)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000921550496 1322349771 /nfs/dbraw/zinc/34/97/71/1322349771.db2.gz RSRPAZWOEPRJKR-CABCVRRESA-N 2 2 334.261 3.037 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459774 1324305085 /nfs/dbraw/zinc/30/50/85/1324305085.db2.gz SEGIRHCLQIHGPO-JKSUJKDBSA-N 2 2 340.471 3.359 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459774 1324305090 /nfs/dbraw/zinc/30/50/90/1324305090.db2.gz SEGIRHCLQIHGPO-JKSUJKDBSA-N 2 2 340.471 3.359 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948616105 1333597242 /nfs/dbraw/zinc/59/72/42/1333597242.db2.gz FPOLSFIXMVXVLE-KRWDZBQOSA-N 2 2 340.471 3.227 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948616105 1333597245 /nfs/dbraw/zinc/59/72/45/1333597245.db2.gz FPOLSFIXMVXVLE-KRWDZBQOSA-N 2 2 340.471 3.227 20 30 EGEDLP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000968920572 1336090171 /nfs/dbraw/zinc/09/01/71/1336090171.db2.gz WMXJVMDUUBQUCJ-OAHLLOKOSA-N 2 2 346.862 3.290 20 30 EGEDLP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000968920572 1336090175 /nfs/dbraw/zinc/09/01/75/1336090175.db2.gz WMXJVMDUUBQUCJ-OAHLLOKOSA-N 2 2 346.862 3.290 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033833213 1342032790 /nfs/dbraw/zinc/03/27/90/1342032790.db2.gz MWXZMSHDMRCAIP-GOSISDBHSA-N 2 2 340.471 3.145 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033833213 1342032791 /nfs/dbraw/zinc/03/27/91/1342032791.db2.gz MWXZMSHDMRCAIP-GOSISDBHSA-N 2 2 340.471 3.145 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001040422977 1345489315 /nfs/dbraw/zinc/48/93/15/1345489315.db2.gz BMIZORIHRXRHKC-UYAOXDASSA-N 2 2 344.503 3.115 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001040422977 1345489316 /nfs/dbraw/zinc/48/93/16/1345489316.db2.gz BMIZORIHRXRHKC-UYAOXDASSA-N 2 2 344.503 3.115 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053103759 1348938673 /nfs/dbraw/zinc/93/86/73/1348938673.db2.gz LLHQULWYVLIELT-ZWKOTPCHSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053103759 1348938678 /nfs/dbraw/zinc/93/86/78/1348938678.db2.gz LLHQULWYVLIELT-ZWKOTPCHSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@H]1C ZINC001071510638 1354734916 /nfs/dbraw/zinc/73/49/16/1354734916.db2.gz DGQACPRRFVBLFQ-QAPCUYQASA-N 2 2 340.471 3.192 20 30 EGEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@H]1C ZINC001071510638 1354734920 /nfs/dbraw/zinc/73/49/20/1354734920.db2.gz DGQACPRRFVBLFQ-QAPCUYQASA-N 2 2 340.471 3.192 20 30 EGEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC[C@H]1C ZINC001071954423 1355040223 /nfs/dbraw/zinc/04/02/23/1355040223.db2.gz OOHSGBXCVYYFSO-AEFFLSMTSA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC[C@H]1C ZINC001071954423 1355040226 /nfs/dbraw/zinc/04/02/26/1355040226.db2.gz OOHSGBXCVYYFSO-AEFFLSMTSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089486840 1360466714 /nfs/dbraw/zinc/46/67/14/1360466714.db2.gz DEZQOWORKUWWOM-CVEARBPZSA-N 2 2 344.503 3.013 20 30 EGEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089486840 1360466717 /nfs/dbraw/zinc/46/67/17/1360466717.db2.gz DEZQOWORKUWWOM-CVEARBPZSA-N 2 2 344.503 3.013 20 30 EGEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089488910 1360468068 /nfs/dbraw/zinc/46/80/68/1360468068.db2.gz ZVUHPHRPFBDIPU-JKSUJKDBSA-N 2 2 344.503 3.013 20 30 EGEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089488910 1360468069 /nfs/dbraw/zinc/46/80/69/1360468069.db2.gz ZVUHPHRPFBDIPU-JKSUJKDBSA-N 2 2 344.503 3.013 20 30 EGEDLP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001099121721 1363635572 /nfs/dbraw/zinc/63/55/72/1363635572.db2.gz NRHKTUZGMVURMU-KRWDZBQOSA-N 2 2 346.519 3.110 20 30 EGEDLP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001099121721 1363635574 /nfs/dbraw/zinc/63/55/74/1363635574.db2.gz NRHKTUZGMVURMU-KRWDZBQOSA-N 2 2 346.519 3.110 20 30 EGEDLP CCCCCCC[NH2+]C1CC(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001100501456 1364137853 /nfs/dbraw/zinc/13/78/53/1364137853.db2.gz NJOVOKILUYFJEZ-UHFFFAOYSA-N 2 2 342.487 3.403 20 30 EGEDLP C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190934069 1367385855 /nfs/dbraw/zinc/38/58/55/1367385855.db2.gz MVULTGSDOGLLSB-HOCLYGCPSA-N 2 2 326.444 3.064 20 30 EGEDLP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190934069 1367385863 /nfs/dbraw/zinc/38/58/63/1367385863.db2.gz MVULTGSDOGLLSB-HOCLYGCPSA-N 2 2 326.444 3.064 20 30 EGEDLP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192295609 1367742535 /nfs/dbraw/zinc/74/25/35/1367742535.db2.gz VOZUFTUHJNHRHL-DLBZAZTESA-N 2 2 344.503 3.109 20 30 EGEDLP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192295609 1367742540 /nfs/dbraw/zinc/74/25/40/1367742540.db2.gz VOZUFTUHJNHRHL-DLBZAZTESA-N 2 2 344.503 3.109 20 30 EGEDLP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001193468842 1368038679 /nfs/dbraw/zinc/03/86/79/1368038679.db2.gz IXJAGUUIWVZHJM-INIZCTEOSA-N 2 2 334.508 3.190 20 30 EGEDLP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001193468842 1368038685 /nfs/dbraw/zinc/03/86/85/1368038685.db2.gz IXJAGUUIWVZHJM-INIZCTEOSA-N 2 2 334.508 3.190 20 30 EGEDLP CCCCCCC[N@@H+]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001197396606 1368805472 /nfs/dbraw/zinc/80/54/72/1368805472.db2.gz GRKMJOAKGYDDLQ-QGZVFWFLSA-N 2 2 334.508 3.093 20 30 EGEDLP CCCCCCC[N@H+]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001197396606 1368805476 /nfs/dbraw/zinc/80/54/76/1368805476.db2.gz GRKMJOAKGYDDLQ-QGZVFWFLSA-N 2 2 334.508 3.093 20 30 EGEDLP CCCCCCC[N@@H+]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001197396606 1368805478 /nfs/dbraw/zinc/80/54/78/1368805478.db2.gz GRKMJOAKGYDDLQ-QGZVFWFLSA-N 2 2 334.508 3.093 20 30 EGEDLP CCCCCCC[N@H+]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001197396606 1368805481 /nfs/dbraw/zinc/80/54/81/1368805481.db2.gz GRKMJOAKGYDDLQ-QGZVFWFLSA-N 2 2 334.508 3.093 20 30 EGEDLP CCCCCCCCC[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001201840361 1369632351 /nfs/dbraw/zinc/63/23/51/1369632351.db2.gz YTPVJUIEXNGDAA-UHFFFAOYSA-N 2 2 344.507 3.479 20 30 EGEDLP CCCCCCCCC[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001201840361 1369632355 /nfs/dbraw/zinc/63/23/55/1369632355.db2.gz YTPVJUIEXNGDAA-UHFFFAOYSA-N 2 2 344.507 3.479 20 30 EGEDLP C=CCC[NH2+]C1(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CCCCC1 ZINC001115583665 1370585282 /nfs/dbraw/zinc/58/52/82/1370585282.db2.gz SJCKVLNKYOIPJH-GOSISDBHSA-N 2 2 346.519 3.455 20 30 EGEDLP C=CCCCCCC[NH+]1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001209440130 1372107108 /nfs/dbraw/zinc/10/71/08/1372107108.db2.gz BVDJUVXRFGABGA-UHFFFAOYSA-N 2 2 343.519 3.335 20 30 EGEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001226965339 1375373325 /nfs/dbraw/zinc/37/33/25/1375373325.db2.gz UXSBTYBOOHEJMG-KZNAEPCWSA-N 2 2 332.492 3.063 20 30 EGEDLP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001226973742 1375375696 /nfs/dbraw/zinc/37/56/96/1375375696.db2.gz YCVDPWIFKHMCNU-GUDVDZBRSA-N 2 2 346.519 3.454 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001227681021 1375460957 /nfs/dbraw/zinc/46/09/57/1375460957.db2.gz OXHFCENUYVAMMX-QZTJIDSGSA-N 2 2 348.535 3.340 20 30 EGEDLP COc1cc(C#N)ccc1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001231618520 1376283554 /nfs/dbraw/zinc/28/35/54/1376283554.db2.gz NECBXLJLZFIAGJ-LJQANCHMSA-N 2 2 327.472 3.407 20 30 EGEDLP COc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001231618520 1376283559 /nfs/dbraw/zinc/28/35/59/1376283559.db2.gz NECBXLJLZFIAGJ-LJQANCHMSA-N 2 2 327.472 3.407 20 30 EGEDLP C(#Cc1ccccc1C[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1)c1ccccc1 ZINC001235114594 1376846728 /nfs/dbraw/zinc/84/67/28/1376846728.db2.gz CTZJMSNYSKZMKT-QHCPKHFHSA-N 2 2 346.474 3.041 20 30 EGEDLP C(#Cc1ccccc1C[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1)c1ccccc1 ZINC001235114594 1376846731 /nfs/dbraw/zinc/84/67/31/1376846731.db2.gz CTZJMSNYSKZMKT-QHCPKHFHSA-N 2 2 346.474 3.041 20 30 EGEDLP CC[NH+](CC)CCNC(=[NH2+])Nc1nc2ccccc2c(Cl)c1C#N ZINC001163129463 1382972209 /nfs/dbraw/zinc/97/22/09/1382972209.db2.gz YWZFHKFFYNVNPC-UHFFFAOYSA-N 2 2 344.850 3.038 20 30 EGEDLP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001165636639 1383318652 /nfs/dbraw/zinc/31/86/52/1383318652.db2.gz DPIXMRFGUOOPBK-GOSISDBHSA-N 2 2 346.519 3.313 20 30 EGEDLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(C#N)(c3ccccc3F)CC1)C2 ZINC001169163343 1384117837 /nfs/dbraw/zinc/11/78/37/1384117837.db2.gz XVCQZZFWPLAAMJ-BJWYYQGGSA-N 2 2 327.447 3.308 20 30 EGEDLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(C#N)(c3ccccc3F)CC1)C2 ZINC001169163343 1384117839 /nfs/dbraw/zinc/11/78/39/1384117839.db2.gz XVCQZZFWPLAAMJ-BJWYYQGGSA-N 2 2 327.447 3.308 20 30 EGEDLP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001171784916 1384635561 /nfs/dbraw/zinc/63/55/61/1384635561.db2.gz VZCSQKBZCLWPKK-MRXNPFEDSA-N 2 2 328.460 3.179 20 30 EGEDLP C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001172290613 1384760926 /nfs/dbraw/zinc/76/09/26/1384760926.db2.gz QXESCDFCPAJXCR-GOSISDBHSA-N 2 2 349.478 3.111 20 30 EGEDLP Cc1ccc(N([C@H](C)Cc2ccc(C#N)cc2)C2CC[NH2+]CC2)[nH+]c1 ZINC001172313475 1384766814 /nfs/dbraw/zinc/76/68/14/1384766814.db2.gz XMODTJFQGHWWTA-QGZVFWFLSA-N 2 2 334.467 3.451 20 30 EGEDLP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001175207687 1385219691 /nfs/dbraw/zinc/21/96/91/1385219691.db2.gz ANSGAXYSMPVMQB-CVEARBPZSA-N 2 2 332.492 3.060 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001179705599 1386560707 /nfs/dbraw/zinc/56/07/07/1386560707.db2.gz JXNNCRJYGABMBD-MSOLQXFVSA-N 2 2 334.508 3.455 20 30 EGEDLP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001731292457 1427234752 /nfs/dbraw/zinc/23/47/52/1427234752.db2.gz FETYVMSYZXVVOH-GUYCJALGSA-N 2 2 346.862 3.288 20 30 EGEDLP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001754545017 1440627007 /nfs/dbraw/zinc/62/70/07/1440627007.db2.gz RHRHWNGMUCYTMM-XVLXNVKGSA-N 2 2 344.503 3.158 20 30 EGEDLP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001755194311 1440776021 /nfs/dbraw/zinc/77/60/21/1440776021.db2.gz RXZTYICFCVEZJC-IAGOWNOFSA-N 2 2 340.471 3.225 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001755194311 1440776022 /nfs/dbraw/zinc/77/60/22/1440776022.db2.gz RXZTYICFCVEZJC-IAGOWNOFSA-N 2 2 340.471 3.225 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001755283494 1440801243 /nfs/dbraw/zinc/80/12/43/1440801243.db2.gz PFFZNZDRCWNSEO-INIZCTEOSA-N 2 2 342.487 3.377 20 30 EGEDLP C=CC[NH2+][C@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)Cc1ccccc1 ZINC001755724523 1440908890 /nfs/dbraw/zinc/90/88/90/1440908890.db2.gz XOKJJCLIHNCAHY-GOSISDBHSA-N 2 2 348.450 3.070 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCOC3CCCC3)CC2)cc1 ZINC000181630014 234258208 /nfs/dbraw/zinc/25/82/08/234258208.db2.gz KPQINRVXQCJECO-UHFFFAOYSA-N 2 2 341.499 3.462 20 30 EGEDLP Cn1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1C#N ZINC000191447554 239119479 /nfs/dbraw/zinc/11/94/79/239119479.db2.gz MOWSWMXITIBQMZ-IRLDBZIGSA-N 2 2 348.494 3.383 20 30 EGEDLP Cn1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1C#N ZINC000191447554 239119486 /nfs/dbraw/zinc/11/94/86/239119486.db2.gz MOWSWMXITIBQMZ-IRLDBZIGSA-N 2 2 348.494 3.383 20 30 EGEDLP Cn1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1C#N ZINC000191447554 239119490 /nfs/dbraw/zinc/11/94/90/239119490.db2.gz MOWSWMXITIBQMZ-IRLDBZIGSA-N 2 2 348.494 3.383 20 30 EGEDLP Cn1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1C#N ZINC000191447554 239119496 /nfs/dbraw/zinc/11/94/96/239119496.db2.gz MOWSWMXITIBQMZ-IRLDBZIGSA-N 2 2 348.494 3.383 20 30 EGEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2Cl)[C@@H](C)C1 ZINC000346529414 164391605 /nfs/dbraw/zinc/39/16/05/164391605.db2.gz CJUPQNDCEQBPML-KXBFYZLASA-N 2 2 349.906 3.438 20 30 EGEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2Cl)[C@@H](C)C1 ZINC000346529414 164391606 /nfs/dbraw/zinc/39/16/06/164391606.db2.gz CJUPQNDCEQBPML-KXBFYZLASA-N 2 2 349.906 3.438 20 30 EGEDLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360658448 167381372 /nfs/dbraw/zinc/38/13/72/167381372.db2.gz SRNBCMLZBXJXMI-OXJNMPFZSA-N 2 2 327.472 3.026 20 30 EGEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(OC(F)F)c1 ZINC000437893260 268217046 /nfs/dbraw/zinc/21/70/46/268217046.db2.gz CJMCDDWAYXBVNU-CQSZACIVSA-N 2 2 332.354 3.262 20 30 EGEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(OC(F)F)c1 ZINC000437893260 268217048 /nfs/dbraw/zinc/21/70/48/268217048.db2.gz CJMCDDWAYXBVNU-CQSZACIVSA-N 2 2 332.354 3.262 20 30 EGEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000421349898 268232394 /nfs/dbraw/zinc/23/23/94/268232394.db2.gz KDUMGBLZGSCRPY-UHFFFAOYSA-N 2 2 336.464 3.246 20 30 EGEDLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CCc4ccc(C#N)cc43)[nH+]c2)C1 ZINC000570556069 317072610 /nfs/dbraw/zinc/07/26/10/317072610.db2.gz ODGKVJPNGWHATQ-UYAOXDASSA-N 2 2 347.466 3.193 20 30 EGEDLP CC[NH+]=C(NCCc1cccs1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000159981260 455420151 /nfs/dbraw/zinc/42/01/51/455420151.db2.gz ZJGXMFQXNRDEPD-WBVHZDCISA-N 2 2 345.516 3.036 20 30 EGEDLP N#Cc1c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cn2ccccc12 ZINC000134877266 454602356 /nfs/dbraw/zinc/60/23/56/454602356.db2.gz UMCHJBSJFCPOMG-UZLBHIALSA-N 2 2 334.467 3.260 20 30 EGEDLP N#Cc1c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cn2ccccc12 ZINC000134877266 454602360 /nfs/dbraw/zinc/60/23/60/454602360.db2.gz UMCHJBSJFCPOMG-UZLBHIALSA-N 2 2 334.467 3.260 20 30 EGEDLP N#Cc1c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn2ccccc12 ZINC000134877266 454602362 /nfs/dbraw/zinc/60/23/62/454602362.db2.gz UMCHJBSJFCPOMG-UZLBHIALSA-N 2 2 334.467 3.260 20 30 EGEDLP N#Cc1c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn2ccccc12 ZINC000134877266 454602367 /nfs/dbraw/zinc/60/23/67/454602367.db2.gz UMCHJBSJFCPOMG-UZLBHIALSA-N 2 2 334.467 3.260 20 30 EGEDLP N#CCOc1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000180172026 455144621 /nfs/dbraw/zinc/14/46/21/455144621.db2.gz MFYYSFYPSXYKHT-UHFFFAOYSA-N 2 2 341.377 3.095 20 30 EGEDLP C=CC[NH+]1CCC([NH2+]Cc2cnn(Cc3ccccc3)c2Cl)CC1 ZINC000284015098 455624019 /nfs/dbraw/zinc/62/40/19/455624019.db2.gz QFJVPIRWLOLSSP-UHFFFAOYSA-N 2 2 344.890 3.325 20 30 EGEDLP Cc1cnccc1CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271905184 455799226 /nfs/dbraw/zinc/79/92/26/455799226.db2.gz WMHBFYKFDMKSFG-UHFFFAOYSA-N 2 2 334.467 3.058 20 30 EGEDLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(Br)cc1C#N ZINC000287620090 456073160 /nfs/dbraw/zinc/07/31/60/456073160.db2.gz FDUQCTJESSDZSP-UHFFFAOYSA-N 2 2 333.233 3.039 20 30 EGEDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(Br)cc1C#N ZINC000287620090 456073167 /nfs/dbraw/zinc/07/31/67/456073167.db2.gz FDUQCTJESSDZSP-UHFFFAOYSA-N 2 2 333.233 3.039 20 30 EGEDLP Cn1cc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1C#N ZINC000289242734 456119294 /nfs/dbraw/zinc/11/92/94/456119294.db2.gz AALVGQFUGSQLNZ-WOJBJXKFSA-N 2 2 331.423 3.112 20 30 EGEDLP Cc1cc[nH+]cc1CCC[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000275202138 456271120 /nfs/dbraw/zinc/27/11/20/456271120.db2.gz GHJLEKOCRDLREP-NRFANRHFSA-N 2 2 334.467 3.205 20 30 EGEDLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348303790 456608611 /nfs/dbraw/zinc/60/86/11/456608611.db2.gz FPXNMIQKVPIHJC-OALUTQOASA-N 2 2 346.906 3.007 20 30 EGEDLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348303790 456608617 /nfs/dbraw/zinc/60/86/17/456608617.db2.gz FPXNMIQKVPIHJC-OALUTQOASA-N 2 2 346.906 3.007 20 30 EGEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000330255592 457013990 /nfs/dbraw/zinc/01/39/90/457013990.db2.gz BHPDNBBNXWMYNL-IRXDYDNUSA-N 2 2 347.507 3.076 20 30 EGEDLP CC(C)[C@H](C[NH2+]Cc1cc(C#N)n(C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000359962765 457173871 /nfs/dbraw/zinc/17/38/71/457173871.db2.gz FPVNYOBGFNNTLF-NRFANRHFSA-N 2 2 336.483 3.069 20 30 EGEDLP CC(C)[C@H](C[NH2+]Cc1cc(C#N)n(C)c1)[N@H+]1CCc2ccccc2C1 ZINC000359962765 457173875 /nfs/dbraw/zinc/17/38/75/457173875.db2.gz FPVNYOBGFNNTLF-NRFANRHFSA-N 2 2 336.483 3.069 20 30 EGEDLP Cc1cc(NCC2CC[NH+](Cc3cccs3)CC2)c(C#N)c[nH+]1 ZINC000425221815 457465449 /nfs/dbraw/zinc/46/54/49/457465449.db2.gz KTURRLARGJSKSQ-UHFFFAOYSA-N 2 2 326.469 3.069 20 30 EGEDLP N#Cc1cccc(OCC[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000361044692 457538105 /nfs/dbraw/zinc/53/81/05/457538105.db2.gz JGINILHHADNUQI-UHFFFAOYSA-N 2 2 338.455 3.326 20 30 EGEDLP C=C(C)COc1cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)ccc1OC ZINC000367415773 457954223 /nfs/dbraw/zinc/95/42/23/457954223.db2.gz QGEXEKKXVSYKBO-UHFFFAOYSA-N 2 2 341.455 3.473 20 30 EGEDLP CC1(C)C[N@@H+](C2(C[NH2+][C@H]3CCC[C@H](C#N)C3)CCCCC2)CCO1 ZINC000447535662 458306860 /nfs/dbraw/zinc/30/68/60/458306860.db2.gz HQDCQAHEPLTMKD-ROUUACIJSA-N 2 2 333.520 3.472 20 30 EGEDLP CC1(C)C[N@H+](C2(C[NH2+][C@H]3CCC[C@H](C#N)C3)CCCCC2)CCO1 ZINC000447535662 458306866 /nfs/dbraw/zinc/30/68/66/458306866.db2.gz HQDCQAHEPLTMKD-ROUUACIJSA-N 2 2 333.520 3.472 20 30 EGEDLP C=CCOc1ccc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1OC ZINC000372947438 458356229 /nfs/dbraw/zinc/35/62/29/458356229.db2.gz MAWPOPUPLFCLMB-QGZVFWFLSA-N 2 2 341.455 3.432 20 30 EGEDLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ccc(C#N)cn1 ZINC000577622321 459063707 /nfs/dbraw/zinc/06/37/07/459063707.db2.gz MRULREWORUUEPW-IRXDYDNUSA-N 2 2 334.467 3.199 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000496574487 459245174 /nfs/dbraw/zinc/24/51/74/459245174.db2.gz VYTJRIIMEVVCCP-DLBZAZTESA-N 2 2 337.508 3.062 20 30 EGEDLP CC(C)C[NH2+]C1(CO)CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000595511405 459329948 /nfs/dbraw/zinc/32/99/48/459329948.db2.gz JOOUQNOTVUPLEI-UHFFFAOYSA-N 2 2 343.515 3.060 20 30 EGEDLP CC(C)n1cc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)cn1 ZINC000593692759 459953986 /nfs/dbraw/zinc/95/39/86/459953986.db2.gz JNIQQFSYOFORBD-UHFFFAOYSA-N 2 2 337.471 3.090 20 30 EGEDLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(C#N)n1 ZINC000602656409 460046977 /nfs/dbraw/zinc/04/69/77/460046977.db2.gz ALDKZDRMJYDWBI-HXUWFJFHSA-N 2 2 334.467 3.344 20 30 EGEDLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(C#N)n1 ZINC000602656409 460046983 /nfs/dbraw/zinc/04/69/83/460046983.db2.gz ALDKZDRMJYDWBI-HXUWFJFHSA-N 2 2 334.467 3.344 20 30 EGEDLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C[C@@H](C)CCC#N)CC2)cc1 ZINC000602685650 460064674 /nfs/dbraw/zinc/06/46/74/460064674.db2.gz QLBHTZOEXJCPLL-INIZCTEOSA-N 2 2 342.487 3.139 20 30 EGEDLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611392883 460354120 /nfs/dbraw/zinc/35/41/20/460354120.db2.gz SOJTWBNFOPSERK-HXUWFJFHSA-N 2 2 341.499 3.415 20 30 EGEDLP C[NH+](C)[C@H](CNC(=[NH2+])NC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC000183890930 1295157446 /nfs/dbraw/zinc/15/74/46/1295157446.db2.gz QSEXGBATNBOOTH-CYBMUJFWSA-N 2 2 330.398 3.011 20 30 EGEDLP CC[NH+]=C(NC[C@@H]1CC=CCC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261966205 1296611763 /nfs/dbraw/zinc/61/17/63/1296611763.db2.gz LMDWDWOJQGBIEQ-RCCFBDPRSA-N 2 2 329.492 3.088 20 30 EGEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@@H]1CCOC2(CCOCC2)C1)C(C)C ZINC000885921292 1303277278 /nfs/dbraw/zinc/27/72/78/1303277278.db2.gz YGQNYWZTMGAWFJ-MOPGFXCFSA-N 2 2 336.520 3.003 20 30 EGEDLP Cc1cccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)c1O ZINC000846114039 1321768987 /nfs/dbraw/zinc/76/89/87/1321768987.db2.gz FADVUPRNDYNVIP-UHFFFAOYSA-N 2 2 335.451 3.327 20 30 EGEDLP N#Cc1ccc(Br)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000921550497 1322349094 /nfs/dbraw/zinc/34/90/94/1322349094.db2.gz RSRPAZWOEPRJKR-GJZGRUSLSA-N 2 2 334.261 3.037 20 30 EGEDLP N#Cc1ccc(Br)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000921550497 1322349097 /nfs/dbraw/zinc/34/90/97/1322349097.db2.gz RSRPAZWOEPRJKR-GJZGRUSLSA-N 2 2 334.261 3.037 20 30 EGEDLP C[C@H](C[NH2+]Cc1cc(C#N)ccc1Br)C[NH+]1CCCC1 ZINC000921551609 1322350634 /nfs/dbraw/zinc/35/06/34/1322350634.db2.gz FPMOXRNWIJAHPH-CYBMUJFWSA-N 2 2 336.277 3.142 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025481283 1324329045 /nfs/dbraw/zinc/32/90/45/1324329045.db2.gz GGBLCFXOFKSTNQ-IAGOWNOFSA-N 2 2 340.471 3.131 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025481283 1324329049 /nfs/dbraw/zinc/32/90/49/1324329049.db2.gz GGBLCFXOFKSTNQ-IAGOWNOFSA-N 2 2 340.471 3.131 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001028053732 1328519855 /nfs/dbraw/zinc/51/98/55/1328519855.db2.gz ITSBDOVVHXJOAI-IBGZPJMESA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001028053732 1328519858 /nfs/dbraw/zinc/51/98/58/1328519858.db2.gz ITSBDOVVHXJOAI-IBGZPJMESA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000948473388 1333539497 /nfs/dbraw/zinc/53/94/97/1333539497.db2.gz FJUANDRXSMIQCI-SFHVURJKSA-N 2 2 346.519 3.206 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000948473388 1333539500 /nfs/dbraw/zinc/53/95/00/1333539500.db2.gz FJUANDRXSMIQCI-SFHVURJKSA-N 2 2 346.519 3.206 20 30 EGEDLP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000969022331 1336120022 /nfs/dbraw/zinc/12/00/22/1336120022.db2.gz BXCFDXOEUBITQO-IRXDYDNUSA-N 2 2 344.503 3.157 20 30 EGEDLP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000969022331 1336120024 /nfs/dbraw/zinc/12/00/24/1336120024.db2.gz BXCFDXOEUBITQO-IRXDYDNUSA-N 2 2 344.503 3.157 20 30 EGEDLP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034467662 1342522157 /nfs/dbraw/zinc/52/21/57/1342522157.db2.gz MSWIPVOVKVXICQ-SFHVURJKSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034467662 1342522160 /nfs/dbraw/zinc/52/21/60/1342522160.db2.gz MSWIPVOVKVXICQ-SFHVURJKSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034545069 1342607305 /nfs/dbraw/zinc/60/73/05/1342607305.db2.gz XRBXREUNVSDKHI-QGZVFWFLSA-N 2 2 349.906 3.085 20 30 EGEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034545069 1342607309 /nfs/dbraw/zinc/60/73/09/1342607309.db2.gz XRBXREUNVSDKHI-QGZVFWFLSA-N 2 2 349.906 3.085 20 30 EGEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC001044802748 1346431362 /nfs/dbraw/zinc/43/13/62/1346431362.db2.gz YQBPLJNTVKVHDA-WMZOPIPTSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001045947286 1346782471 /nfs/dbraw/zinc/78/24/71/1346782471.db2.gz KUHRZNNFXUBXSB-HXUWFJFHSA-N 2 2 338.455 3.067 20 30 EGEDLP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001045947286 1346782473 /nfs/dbraw/zinc/78/24/73/1346782473.db2.gz KUHRZNNFXUBXSB-HXUWFJFHSA-N 2 2 338.455 3.067 20 30 EGEDLP C=CCC[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1CC ZINC001087782294 1359642272 /nfs/dbraw/zinc/64/22/72/1359642272.db2.gz JQHZOSQHRJZAGT-RBUKOAKNSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1CC ZINC001087782294 1359642275 /nfs/dbraw/zinc/64/22/75/1359642275.db2.gz JQHZOSQHRJZAGT-RBUKOAKNSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001088407634 1359878979 /nfs/dbraw/zinc/87/89/79/1359878979.db2.gz AJNRANYOARVCCQ-SFHVURJKSA-N 2 2 338.455 3.033 20 30 EGEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001089692971 1360598022 /nfs/dbraw/zinc/59/80/22/1360598022.db2.gz GDPGSHUUDNUIOS-CVEARBPZSA-N 2 2 344.503 3.013 20 30 EGEDLP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001089692971 1360598025 /nfs/dbraw/zinc/59/80/25/1360598025.db2.gz GDPGSHUUDNUIOS-CVEARBPZSA-N 2 2 344.503 3.013 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001106318939 1366651906 /nfs/dbraw/zinc/65/19/06/1366651906.db2.gz PFIVWSUCDUVXIA-BFYDXBDKSA-N 2 2 340.471 3.215 20 30 EGEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001109433261 1367118260 /nfs/dbraw/zinc/11/82/60/1367118260.db2.gz GSMYPYBUNIUORR-XWSJACJDSA-N 2 2 344.503 3.158 20 30 EGEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001109433261 1367118266 /nfs/dbraw/zinc/11/82/66/1367118266.db2.gz GSMYPYBUNIUORR-XWSJACJDSA-N 2 2 344.503 3.158 20 30 EGEDLP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192295610 1367742739 /nfs/dbraw/zinc/74/27/39/1367742739.db2.gz VOZUFTUHJNHRHL-IAGOWNOFSA-N 2 2 344.503 3.109 20 30 EGEDLP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192295610 1367742743 /nfs/dbraw/zinc/74/27/43/1367742743.db2.gz VOZUFTUHJNHRHL-IAGOWNOFSA-N 2 2 344.503 3.109 20 30 EGEDLP C=CCCC[NH2+][C@H]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001210438626 1372353475 /nfs/dbraw/zinc/35/34/75/1372353475.db2.gz VNSFIDKQKXPNAX-SFHVURJKSA-N 2 2 338.455 3.033 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001132090010 1375139989 /nfs/dbraw/zinc/13/99/89/1375139989.db2.gz BYTNMHJFGANCJK-FUHWJXTLSA-N 2 2 332.492 3.058 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001132090010 1375139993 /nfs/dbraw/zinc/13/99/93/1375139993.db2.gz BYTNMHJFGANCJK-FUHWJXTLSA-N 2 2 332.492 3.058 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001132090010 1375139995 /nfs/dbraw/zinc/13/99/95/1375139995.db2.gz BYTNMHJFGANCJK-FUHWJXTLSA-N 2 2 332.492 3.058 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001132090010 1375139998 /nfs/dbraw/zinc/13/99/98/1375139998.db2.gz BYTNMHJFGANCJK-FUHWJXTLSA-N 2 2 332.492 3.058 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132221098 1375217830 /nfs/dbraw/zinc/21/78/30/1375217830.db2.gz BUKVPTVMNGYPBX-QZTJIDSGSA-N 2 2 334.508 3.213 20 30 EGEDLP CCCCCCC[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132221098 1375217833 /nfs/dbraw/zinc/21/78/33/1375217833.db2.gz BUKVPTVMNGYPBX-QZTJIDSGSA-N 2 2 334.508 3.213 20 30 EGEDLP C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001226696740 1375310621 /nfs/dbraw/zinc/31/06/21/1375310621.db2.gz KHTYMEWNDVHYST-QZTJIDSGSA-N 2 2 332.492 3.106 20 30 EGEDLP C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001226696740 1375310627 /nfs/dbraw/zinc/31/06/27/1375310627.db2.gz KHTYMEWNDVHYST-QZTJIDSGSA-N 2 2 332.492 3.106 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001227848620 1375481512 /nfs/dbraw/zinc/48/15/12/1375481512.db2.gz QRBGMFFLYVQPIG-QZTJIDSGSA-N 2 2 334.508 3.261 20 30 EGEDLP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C ZINC001133270604 1375885595 /nfs/dbraw/zinc/88/55/95/1375885595.db2.gz KNMBHOWKPORONW-WMZOPIPTSA-N 2 2 346.519 3.081 20 30 EGEDLP N#Cc1ccc(O)c(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001232678928 1376500554 /nfs/dbraw/zinc/50/05/54/1376500554.db2.gz VDTGZWKGTDDTJD-QFIPXVFZSA-N 2 2 347.462 3.362 20 30 EGEDLP N#Cc1ccc(O)c(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001232678928 1376500565 /nfs/dbraw/zinc/50/05/65/1376500565.db2.gz VDTGZWKGTDDTJD-QFIPXVFZSA-N 2 2 347.462 3.362 20 30 EGEDLP N#Cc1ccc(O)c(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC001232678928 1376500568 /nfs/dbraw/zinc/50/05/68/1376500568.db2.gz VDTGZWKGTDDTJD-QFIPXVFZSA-N 2 2 347.462 3.362 20 30 EGEDLP N#Cc1ccc(O)c(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC001232678928 1376500573 /nfs/dbraw/zinc/50/05/73/1376500573.db2.gz VDTGZWKGTDDTJD-QFIPXVFZSA-N 2 2 347.462 3.362 20 30 EGEDLP C[N@@H+](Cc1ccc(C#N)cc1O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001233386879 1376634452 /nfs/dbraw/zinc/63/44/52/1376634452.db2.gz LSPZJIWKAOXVSD-IBGZPJMESA-N 2 2 335.451 3.218 20 30 EGEDLP C[N@H+](Cc1ccc(C#N)cc1O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001233386879 1376634456 /nfs/dbraw/zinc/63/44/56/1376634456.db2.gz LSPZJIWKAOXVSD-IBGZPJMESA-N 2 2 335.451 3.218 20 30 EGEDLP C[NH+](Cc1ccc(C#N)cc1O)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001233386879 1376634459 /nfs/dbraw/zinc/63/44/59/1376634459.db2.gz LSPZJIWKAOXVSD-IBGZPJMESA-N 2 2 335.451 3.218 20 30 EGEDLP C[NH+](Cc1ccc(C#N)cc1O)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001233386879 1376634464 /nfs/dbraw/zinc/63/44/64/1376634464.db2.gz LSPZJIWKAOXVSD-IBGZPJMESA-N 2 2 335.451 3.218 20 30 EGEDLP COc1ccc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)c(C#N)c1 ZINC001137701016 1377596657 /nfs/dbraw/zinc/59/66/57/1377596657.db2.gz ITIOYBNHUBSWHH-UHFFFAOYSA-N 2 2 336.439 3.009 20 30 EGEDLP Cn1cc(C[N@@H+]2CCC[C@@]3(CCC[NH+](CCCCF)C3)C2)cc1C#N ZINC001278205348 1378262349 /nfs/dbraw/zinc/26/23/49/1378262349.db2.gz JDEAVYRQUUYTGZ-HXUWFJFHSA-N 2 2 346.494 3.324 20 30 EGEDLP Cn1cc(C[N@H+]2CCC[C@@]3(CCC[NH+](CCCCF)C3)C2)cc1C#N ZINC001278205348 1378262353 /nfs/dbraw/zinc/26/23/53/1378262353.db2.gz JDEAVYRQUUYTGZ-HXUWFJFHSA-N 2 2 346.494 3.324 20 30 EGEDLP Cn1cc(C[NH+]2CCC[C@@]3(CCC[N@H+](CCCCF)C3)C2)cc1C#N ZINC001278205348 1378262357 /nfs/dbraw/zinc/26/23/57/1378262357.db2.gz JDEAVYRQUUYTGZ-HXUWFJFHSA-N 2 2 346.494 3.324 20 30 EGEDLP Cn1cc(C[NH+]2CCC[C@@]3(CCC[N@@H+](CCCCF)C3)C2)cc1C#N ZINC001278205348 1378262358 /nfs/dbraw/zinc/26/23/58/1378262358.db2.gz JDEAVYRQUUYTGZ-HXUWFJFHSA-N 2 2 346.494 3.324 20 30 EGEDLP C=C(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001158128881 1381137204 /nfs/dbraw/zinc/13/72/04/1381137204.db2.gz QYTIYCWDTZLKNG-QGZVFWFLSA-N 2 2 340.471 3.456 20 30 EGEDLP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001158128881 1381137209 /nfs/dbraw/zinc/13/72/09/1381137209.db2.gz QYTIYCWDTZLKNG-QGZVFWFLSA-N 2 2 340.471 3.456 20 30 EGEDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(Cl)c(C#N)c1 ZINC001293591964 1382309749 /nfs/dbraw/zinc/30/97/49/1382309749.db2.gz VIHLJAPMGCIDHE-UHFFFAOYSA-N 2 2 337.770 3.353 20 30 EGEDLP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161433735 1382408694 /nfs/dbraw/zinc/40/86/94/1382408694.db2.gz ILCGJLAOQDTAHJ-IAGOWNOFSA-N 2 2 344.503 3.081 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161433735 1382408695 /nfs/dbraw/zinc/40/86/95/1382408695.db2.gz ILCGJLAOQDTAHJ-IAGOWNOFSA-N 2 2 344.503 3.081 20 30 EGEDLP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161433735 1382408699 /nfs/dbraw/zinc/40/86/99/1382408699.db2.gz ILCGJLAOQDTAHJ-IAGOWNOFSA-N 2 2 344.503 3.081 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161433735 1382408700 /nfs/dbraw/zinc/40/87/00/1382408700.db2.gz ILCGJLAOQDTAHJ-IAGOWNOFSA-N 2 2 344.503 3.081 20 30 EGEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001171408703 1384514131 /nfs/dbraw/zinc/51/41/31/1384514131.db2.gz LDXIUCHEQZPDMD-MSOLQXFVSA-N 2 2 334.508 3.311 20 30 EGEDLP CCCCCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)[C@H]1C ZINC001178978630 1386366304 /nfs/dbraw/zinc/36/63/04/1386366304.db2.gz RHOGVBUTCWOWQK-WMZOPIPTSA-N 2 2 347.503 3.182 20 30 EGEDLP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001178995778 1386371657 /nfs/dbraw/zinc/37/16/57/1386371657.db2.gz QXDBEGGHRGJUDY-DZKIICNBSA-N 2 2 326.444 3.110 20 30 EGEDLP C=C(C)C[NH2+]CCCCCCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001179820062 1386595894 /nfs/dbraw/zinc/59/58/94/1386595894.db2.gz HZRYODPMOYBSQH-UHFFFAOYSA-N 2 2 342.487 3.028 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001754526542 1440621196 /nfs/dbraw/zinc/62/11/96/1440621196.db2.gz OAWNRUUZTZJTJO-MRXNPFEDSA-N 2 2 338.455 3.079 20 30 EGEDLP C=C(C)CC[NH2+][C@@H](C)c1ccc(CNC(=O)Cc2[nH]c[nH+]c2C)cc1 ZINC001754948414 1440714111 /nfs/dbraw/zinc/71/41/11/1440714111.db2.gz IQVMYEROUGFTDP-HNNXBMFYSA-N 2 2 340.471 3.194 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC001755416663 1440849082 /nfs/dbraw/zinc/84/90/82/1440849082.db2.gz TTXXHODTBOOYCK-QGZVFWFLSA-N 2 2 334.508 3.058 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC001755416663 1440849083 /nfs/dbraw/zinc/84/90/83/1440849083.db2.gz TTXXHODTBOOYCK-QGZVFWFLSA-N 2 2 334.508 3.058 20 30 EGEDLP C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001755888514 1440940713 /nfs/dbraw/zinc/94/07/13/1440940713.db2.gz BMUPNLADLOUACL-KRWDZBQOSA-N 2 2 344.503 3.030 20 30 EGEDLP C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001755888514 1440940714 /nfs/dbraw/zinc/94/07/14/1440940714.db2.gz BMUPNLADLOUACL-KRWDZBQOSA-N 2 2 344.503 3.030 20 30 EGEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(C#N)ccc3Br)CC[C@@H]21 ZINC000191809083 530064485 /nfs/dbraw/zinc/06/44/85/530064485.db2.gz SMZDEEYEDUZPSN-YOEHRIQHSA-N 2 2 348.288 3.237 20 30 EGEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(C#N)ccc3Br)CC[C@@H]21 ZINC000191809083 530064486 /nfs/dbraw/zinc/06/44/86/530064486.db2.gz SMZDEEYEDUZPSN-YOEHRIQHSA-N 2 2 348.288 3.237 20 30 EGEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(C#N)ccc3Br)CC[C@@H]21 ZINC000191809083 530064487 /nfs/dbraw/zinc/06/44/87/530064487.db2.gz SMZDEEYEDUZPSN-YOEHRIQHSA-N 2 2 348.288 3.237 20 30 EGEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(C#N)ccc3Br)CC[C@@H]21 ZINC000191809083 530064488 /nfs/dbraw/zinc/06/44/88/530064488.db2.gz SMZDEEYEDUZPSN-YOEHRIQHSA-N 2 2 348.288 3.237 20 30 EGEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(C#N)n(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000191348762 239057919 /nfs/dbraw/zinc/05/79/19/239057919.db2.gz VESNNERGTFPQNT-XLIONFOSSA-N 2 2 336.483 3.382 20 30 EGEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(C#N)n(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000191348762 239057925 /nfs/dbraw/zinc/05/79/25/239057925.db2.gz VESNNERGTFPQNT-XLIONFOSSA-N 2 2 336.483 3.382 20 30 EGEDLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(C#N)n(C)c2)CC[NH+]1Cc1ccccc1 ZINC000191348762 239057929 /nfs/dbraw/zinc/05/79/29/239057929.db2.gz VESNNERGTFPQNT-XLIONFOSSA-N 2 2 336.483 3.382 20 30 EGEDLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(C#N)n(C)c2)CC[NH+]1Cc1ccccc1 ZINC000191348762 239057936 /nfs/dbraw/zinc/05/79/36/239057936.db2.gz VESNNERGTFPQNT-XLIONFOSSA-N 2 2 336.483 3.382 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000268858560 252306486 /nfs/dbraw/zinc/30/64/86/252306486.db2.gz HFORFFYPLHEEKJ-NQIIRXRSSA-N 3 2 327.516 3.280 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000268858560 252306490 /nfs/dbraw/zinc/30/64/90/252306490.db2.gz HFORFFYPLHEEKJ-NQIIRXRSSA-N 3 2 327.516 3.280 20 30 EGEDLP C=CCN1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000268858560 252306493 /nfs/dbraw/zinc/30/64/93/252306493.db2.gz HFORFFYPLHEEKJ-NQIIRXRSSA-N 2 2 327.516 3.280 20 30 EGEDLP C=CCN1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000268858560 252306497 /nfs/dbraw/zinc/30/64/97/252306497.db2.gz HFORFFYPLHEEKJ-NQIIRXRSSA-N 2 2 327.516 3.280 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2nnn(-c3ccc(C)cc3)c2C)CC1 ZINC000268860097 252308451 /nfs/dbraw/zinc/30/84/51/252308451.db2.gz HRGALZMGPFOMKG-MRXNPFEDSA-N 2 2 339.487 3.185 20 30 EGEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C#N)cc3OC(F)F)CC[C@@H]21 ZINC000361674047 144348326 /nfs/dbraw/zinc/34/83/26/144348326.db2.gz BJGWUEUAFFJVLX-ZBFHGGJFSA-N 2 2 335.398 3.076 20 30 EGEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C#N)cc3OC(F)F)CC[C@@H]21 ZINC000361674047 144348327 /nfs/dbraw/zinc/34/83/27/144348327.db2.gz BJGWUEUAFFJVLX-ZBFHGGJFSA-N 2 2 335.398 3.076 20 30 EGEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(C#N)cc3OC(F)F)CC[C@@H]21 ZINC000361674047 144348328 /nfs/dbraw/zinc/34/83/28/144348328.db2.gz BJGWUEUAFFJVLX-ZBFHGGJFSA-N 2 2 335.398 3.076 20 30 EGEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3OC(F)F)CC[C@@H]21 ZINC000361674047 144348329 /nfs/dbraw/zinc/34/83/29/144348329.db2.gz BJGWUEUAFFJVLX-ZBFHGGJFSA-N 2 2 335.398 3.076 20 30 EGEDLP C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190040633 153113569 /nfs/dbraw/zinc/11/35/69/153113569.db2.gz ZTNLESOEKWIOMB-XMSQKQJNSA-N 2 2 349.478 3.188 20 30 EGEDLP C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190040633 153113571 /nfs/dbraw/zinc/11/35/71/153113571.db2.gz ZTNLESOEKWIOMB-XMSQKQJNSA-N 2 2 349.478 3.188 20 30 EGEDLP C[C@H](c1cccc(C#N)c1)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190040633 153113574 /nfs/dbraw/zinc/11/35/74/153113574.db2.gz ZTNLESOEKWIOMB-XMSQKQJNSA-N 2 2 349.478 3.188 20 30 EGEDLP C[C@H](c1cccc(C#N)c1)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190040633 153113577 /nfs/dbraw/zinc/11/35/77/153113577.db2.gz ZTNLESOEKWIOMB-XMSQKQJNSA-N 2 2 349.478 3.188 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@H]3OC(F)F)CC2)cc1 ZINC000337529101 154398460 /nfs/dbraw/zinc/39/84/60/154398460.db2.gz BYYLPWZPSPBXBA-ZWKOTPCHSA-N 2 2 349.425 3.273 20 30 EGEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000346144231 164348433 /nfs/dbraw/zinc/34/84/33/164348433.db2.gz RWFBZWXEPGAUCS-UHFFFAOYSA-N 2 2 335.386 3.219 20 30 EGEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000346144231 164348434 /nfs/dbraw/zinc/34/84/34/164348434.db2.gz RWFBZWXEPGAUCS-UHFFFAOYSA-N 2 2 335.386 3.219 20 30 EGEDLP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000439430122 270051872 /nfs/dbraw/zinc/05/18/72/270051872.db2.gz HTZPPXUYSIDEFN-UHFFFAOYSA-N 2 2 328.847 3.400 20 30 EGEDLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459408188 267059572 /nfs/dbraw/zinc/05/95/72/267059572.db2.gz MTWCXEYORSJRCR-WMZOPIPTSA-N 2 2 344.459 3.457 20 30 EGEDLP CC[C@H](C[NH2+]Cc1ccc(C#N)c(OC)c1)[N@@H+]1CCc2ccccc2C1 ZINC000440823276 267212457 /nfs/dbraw/zinc/21/24/57/267212457.db2.gz RNGYCYPPPPNWIH-OAQYLSRUSA-N 2 2 349.478 3.493 20 30 EGEDLP CC[C@H](C[NH2+]Cc1ccc(C#N)c(OC)c1)[N@H+]1CCc2ccccc2C1 ZINC000440823276 267212459 /nfs/dbraw/zinc/21/24/59/267212459.db2.gz RNGYCYPPPPNWIH-OAQYLSRUSA-N 2 2 349.478 3.493 20 30 EGEDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000278519210 268031468 /nfs/dbraw/zinc/03/14/68/268031468.db2.gz CIDVRJQSABKCIQ-UHFFFAOYSA-N 2 2 325.387 3.444 20 30 EGEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(OC(F)F)c1 ZINC000437875122 268222328 /nfs/dbraw/zinc/22/23/28/268222328.db2.gz VDUGIFLJJSIIKP-INIZCTEOSA-N 2 2 349.425 3.467 20 30 EGEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(OC(F)F)c1 ZINC000437875122 268222331 /nfs/dbraw/zinc/22/23/31/268222331.db2.gz VDUGIFLJJSIIKP-INIZCTEOSA-N 2 2 349.425 3.467 20 30 EGEDLP Cc1cc(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(C#N)c[nH+]1 ZINC000571635482 317226817 /nfs/dbraw/zinc/22/68/17/317226817.db2.gz HMJCPCFNIHCSFP-KSSFIOAISA-N 2 2 326.469 3.240 20 30 EGEDLP Cc1cc(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(C#N)c[nH+]1 ZINC000571635482 317226819 /nfs/dbraw/zinc/22/68/19/317226819.db2.gz HMJCPCFNIHCSFP-KSSFIOAISA-N 2 2 326.469 3.240 20 30 EGEDLP Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1C#N ZINC000091073023 454376620 /nfs/dbraw/zinc/37/66/20/454376620.db2.gz JUWXUHJZYNGFKV-INIZCTEOSA-N 2 2 346.438 3.155 20 30 EGEDLP Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1C#N ZINC000091073023 454376625 /nfs/dbraw/zinc/37/66/25/454376625.db2.gz JUWXUHJZYNGFKV-INIZCTEOSA-N 2 2 346.438 3.155 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000106246297 454687612 /nfs/dbraw/zinc/68/76/12/454687612.db2.gz GENYIBWRFXQJFH-UHFFFAOYSA-N 2 2 336.863 3.241 20 30 EGEDLP COc1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1OCCCC#N ZINC000151103188 454938164 /nfs/dbraw/zinc/93/81/64/454938164.db2.gz VMYWISCWYZCWJC-RDJZCZTQSA-N 2 2 343.471 3.093 20 30 EGEDLP COc1ccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1OCCCC#N ZINC000151103188 454938169 /nfs/dbraw/zinc/93/81/69/454938169.db2.gz VMYWISCWYZCWJC-RDJZCZTQSA-N 2 2 343.471 3.093 20 30 EGEDLP Cc1ccc(OCC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181407069 455329899 /nfs/dbraw/zinc/32/98/99/455329899.db2.gz ZSWCMCNDXBLNNY-UHFFFAOYSA-N 2 2 349.478 3.500 20 30 EGEDLP CO[C@]1(C)C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000181844350 455389124 /nfs/dbraw/zinc/38/91/24/455389124.db2.gz VFRGHXYBVOOYNE-TZIWHRDSSA-N 2 2 341.499 3.316 20 30 EGEDLP C=C(C)COc1cc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)ccc1OC ZINC000272681506 456037857 /nfs/dbraw/zinc/03/78/57/456037857.db2.gz VNCNEDLXDJVLKK-QZTJIDSGSA-N 2 2 330.472 3.176 20 30 EGEDLP C=C(C)COc1cc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)ccc1OC ZINC000272681506 456037860 /nfs/dbraw/zinc/03/78/60/456037860.db2.gz VNCNEDLXDJVLKK-QZTJIDSGSA-N 2 2 330.472 3.176 20 30 EGEDLP C=C(C)COc1cc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)ccc1OC ZINC000272681506 456037863 /nfs/dbraw/zinc/03/78/63/456037863.db2.gz VNCNEDLXDJVLKK-QZTJIDSGSA-N 2 2 330.472 3.176 20 30 EGEDLP C=C(C)COc1cc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)ccc1OC ZINC000272681506 456037868 /nfs/dbraw/zinc/03/78/68/456037868.db2.gz VNCNEDLXDJVLKK-QZTJIDSGSA-N 2 2 330.472 3.176 20 30 EGEDLP C=CCC[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccco1 ZINC000340505214 456498433 /nfs/dbraw/zinc/49/84/33/456498433.db2.gz NJZTWLADWZCFRX-PMACEKPBSA-N 2 2 340.467 3.296 20 30 EGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+]C1CCN(c2nccs2)CC1)C(C)C ZINC000291112973 456532762 /nfs/dbraw/zinc/53/27/62/456532762.db2.gz TUIIODXWKUTGSK-GOSISDBHSA-N 2 2 348.560 3.400 20 30 EGEDLP CCC(O)(CC)CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000276713603 456559144 /nfs/dbraw/zinc/55/91/44/456559144.db2.gz VXYORENPTFWERG-UHFFFAOYSA-N 2 2 329.488 3.053 20 30 EGEDLP C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000348258615 456576315 /nfs/dbraw/zinc/57/63/15/456576315.db2.gz XHOOWWXKTJDHAE-BBRMVZONSA-N 2 2 346.381 3.439 20 30 EGEDLP C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000348258615 456576322 /nfs/dbraw/zinc/57/63/22/456576322.db2.gz XHOOWWXKTJDHAE-BBRMVZONSA-N 2 2 346.381 3.439 20 30 EGEDLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348303791 456608568 /nfs/dbraw/zinc/60/85/68/456608568.db2.gz FPXNMIQKVPIHJC-RBUKOAKNSA-N 2 2 346.906 3.007 20 30 EGEDLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348303791 456608571 /nfs/dbraw/zinc/60/85/71/456608571.db2.gz FPXNMIQKVPIHJC-RBUKOAKNSA-N 2 2 346.906 3.007 20 30 EGEDLP C[NH+](C)C1(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)CCCCCC1 ZINC000329174449 456848845 /nfs/dbraw/zinc/84/88/45/456848845.db2.gz LGPZVQBSUPDDQN-UHFFFAOYSA-N 2 2 347.507 3.089 20 30 EGEDLP N#Cc1ccccc1COc1cccc(C[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)c1 ZINC000353678209 456849817 /nfs/dbraw/zinc/84/98/17/456849817.db2.gz CXNJKGHCMSKVOC-KNQAVFIVSA-N 2 2 347.462 3.321 20 30 EGEDLP N#Cc1ccccc1COc1cccc(C[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)c1 ZINC000353678209 456849822 /nfs/dbraw/zinc/84/98/22/456849822.db2.gz CXNJKGHCMSKVOC-KNQAVFIVSA-N 2 2 347.462 3.321 20 30 EGEDLP CCCCCCCCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370842652 457727615 /nfs/dbraw/zinc/72/76/15/457727615.db2.gz PTIBDOMABZCLSI-IBGZPJMESA-N 2 2 337.552 3.364 20 30 EGEDLP CCCCCCCCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370842652 457727617 /nfs/dbraw/zinc/72/76/17/457727617.db2.gz PTIBDOMABZCLSI-IBGZPJMESA-N 2 2 337.552 3.364 20 30 EGEDLP CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000373227949 458436597 /nfs/dbraw/zinc/43/65/97/458436597.db2.gz LALLGPVVNNMZGY-SFHVURJKSA-N 2 2 337.471 3.150 20 30 EGEDLP CN(CCC#N)c1ccc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000373227949 458436603 /nfs/dbraw/zinc/43/66/03/458436603.db2.gz LALLGPVVNNMZGY-SFHVURJKSA-N 2 2 337.471 3.150 20 30 EGEDLP C[C@H]([NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000423580910 458459649 /nfs/dbraw/zinc/45/96/49/458459649.db2.gz YMOMPEOZFXIGFF-SFHVURJKSA-N 3 2 348.494 3.202 20 30 EGEDLP COc1cc(C#N)ccc1C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595509413 459329104 /nfs/dbraw/zinc/32/91/04/459329104.db2.gz TUERGPFRLNAQCP-UHFFFAOYSA-N 2 2 335.451 3.321 20 30 EGEDLP COc1cccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593688867 459951042 /nfs/dbraw/zinc/95/10/42/459951042.db2.gz VYOHSNJCAQLWKZ-UHFFFAOYSA-N 2 2 335.451 3.321 20 30 EGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3[nH]nc4ccccc43)CC2)c1 ZINC000593692682 459954576 /nfs/dbraw/zinc/95/45/76/459954576.db2.gz IFPQWTVTSWGDJK-UHFFFAOYSA-N 2 2 345.450 3.189 20 30 EGEDLP N#Cc1cc(Cl)ccc1C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602849976 460156834 /nfs/dbraw/zinc/15/68/34/460156834.db2.gz SMNMKMRTTWVSEQ-UHFFFAOYSA-N 2 2 326.831 3.319 20 30 EGEDLP N#Cc1cc(Cl)ccc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602849976 460156838 /nfs/dbraw/zinc/15/68/38/460156838.db2.gz SMNMKMRTTWVSEQ-UHFFFAOYSA-N 2 2 326.831 3.319 20 30 EGEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1Cl ZINC000619755038 460432405 /nfs/dbraw/zinc/43/24/05/460432405.db2.gz RINUSMRQSCELDD-UHFFFAOYSA-N 2 2 340.858 3.361 20 30 EGEDLP C=CCCn1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)nn1 ZINC000657374871 462080716 /nfs/dbraw/zinc/08/07/16/462080716.db2.gz TZQSZNONMNTDAM-QAPCUYQASA-N 2 2 345.516 3.088 20 30 EGEDLP C=CCCn1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)nn1 ZINC000657374871 462080720 /nfs/dbraw/zinc/08/07/20/462080720.db2.gz TZQSZNONMNTDAM-QAPCUYQASA-N 2 2 345.516 3.088 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000174363273 526602564 /nfs/dbraw/zinc/60/25/64/526602564.db2.gz PSRBDRNYKKJVMF-UHFFFAOYSA-N 3 2 327.516 3.281 20 30 EGEDLP N#Cc1ccc(-c2ccn(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)n2)cc1 ZINC000738264506 576308059 /nfs/dbraw/zinc/30/80/59/576308059.db2.gz CZUWKMOGUVMJAJ-FQEVSTJZSA-N 2 2 349.482 3.330 20 30 EGEDLP N#Cc1ccc(-c2ccn(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)n2)cc1 ZINC000738264506 576308060 /nfs/dbraw/zinc/30/80/60/576308060.db2.gz CZUWKMOGUVMJAJ-FQEVSTJZSA-N 2 2 349.482 3.330 20 30 EGEDLP C=C(C)CNC(NCCc1cn2cccc(C)c2[nH+]1)=[NH+]C(C)(C)C ZINC000086535380 1292736512 /nfs/dbraw/zinc/73/65/12/1292736512.db2.gz RWEWZDGKADEKPL-UHFFFAOYSA-N 2 2 327.476 3.095 20 30 EGEDLP N#Cc1ccc(Br)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000921550498 1322349134 /nfs/dbraw/zinc/34/91/34/1322349134.db2.gz RSRPAZWOEPRJKR-HUUCEWRRSA-N 2 2 334.261 3.037 20 30 EGEDLP N#Cc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)nc1 ZINC000877458949 1299315015 /nfs/dbraw/zinc/31/50/15/1299315015.db2.gz DNXMZBGGRBMKLX-GHTZIAJQSA-N 2 2 332.451 3.411 20 30 EGEDLP N#Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)nc1 ZINC000877458949 1299315026 /nfs/dbraw/zinc/31/50/26/1299315026.db2.gz DNXMZBGGRBMKLX-GHTZIAJQSA-N 2 2 332.451 3.411 20 30 EGEDLP C[C@@H](C#N)Oc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000768240270 1302862354 /nfs/dbraw/zinc/86/23/54/1302862354.db2.gz RONSTILOBWPAIW-KRWDZBQOSA-N 2 2 327.472 3.428 20 30 EGEDLP C#CCOc1cccc(Cl)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000779164508 1304536587 /nfs/dbraw/zinc/53/65/87/1304536587.db2.gz SWOGCEBTSXSBSS-CRAIPNDOSA-N 2 2 332.875 3.268 20 30 EGEDLP C#CCOc1cccc(Cl)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000779164508 1304536593 /nfs/dbraw/zinc/53/65/93/1304536593.db2.gz SWOGCEBTSXSBSS-CRAIPNDOSA-N 2 2 332.875 3.268 20 30 EGEDLP C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000779164508 1304536596 /nfs/dbraw/zinc/53/65/96/1304536596.db2.gz SWOGCEBTSXSBSS-CRAIPNDOSA-N 2 2 332.875 3.268 20 30 EGEDLP C#CCOc1cccc(Cl)c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000779164508 1304536600 /nfs/dbraw/zinc/53/66/00/1304536600.db2.gz SWOGCEBTSXSBSS-CRAIPNDOSA-N 2 2 332.875 3.268 20 30 EGEDLP N#Cc1ccc(Br)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000921550498 1322349127 /nfs/dbraw/zinc/34/91/27/1322349127.db2.gz RSRPAZWOEPRJKR-HUUCEWRRSA-N 2 2 334.261 3.037 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025254497 1324060892 /nfs/dbraw/zinc/06/08/92/1324060892.db2.gz JXRLDUAPXJQNEL-RBUKOAKNSA-N 2 2 344.503 3.085 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025254497 1324060897 /nfs/dbraw/zinc/06/08/97/1324060897.db2.gz JXRLDUAPXJQNEL-RBUKOAKNSA-N 2 2 344.503 3.085 20 30 EGEDLP C=CC[NH2+]C1CCC(N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000963727870 1325389188 /nfs/dbraw/zinc/38/91/88/1325389188.db2.gz HIZKBLOCWAUUAG-UHFFFAOYSA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001045969524 1346804941 /nfs/dbraw/zinc/80/49/41/1346804941.db2.gz RWUIOURQTZWCGP-AZUAARDMSA-N 2 2 344.503 3.115 20 30 EGEDLP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001045969524 1346804943 /nfs/dbraw/zinc/80/49/43/1346804943.db2.gz RWUIOURQTZWCGP-AZUAARDMSA-N 2 2 344.503 3.115 20 30 EGEDLP C=CCCCCC[NH2+]C[C@]1(C)CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001183271409 1387289128 /nfs/dbraw/zinc/28/91/28/1387289128.db2.gz KFJMOPZSQDQWQC-OXQOHEQNSA-N 2 2 346.519 3.081 20 30 EGEDLP C=CCCC[NH2+]C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001184651912 1387503260 /nfs/dbraw/zinc/50/32/60/1387503260.db2.gz ISMVMABWGNWZFC-HZPDHXFCSA-N 2 2 340.471 3.217 20 30 EGEDLP C=CCCCCC[NH2+]C1CC(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001100663103 1364209517 /nfs/dbraw/zinc/20/95/17/1364209517.db2.gz CPTCWWFPNQKDDT-JCYILVPMSA-N 2 2 344.503 3.060 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001103644542 1365698075 /nfs/dbraw/zinc/69/80/75/1365698075.db2.gz FCFIGSXTGYELIT-QZTJIDSGSA-N 2 2 348.535 3.007 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001103644542 1365698078 /nfs/dbraw/zinc/69/80/78/1365698078.db2.gz FCFIGSXTGYELIT-QZTJIDSGSA-N 2 2 348.535 3.007 20 30 EGEDLP CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001104136106 1365923248 /nfs/dbraw/zinc/92/32/48/1365923248.db2.gz LCHFWKPIMDKXAG-QZTJIDSGSA-N 2 2 348.535 3.387 20 30 EGEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001106291534 1366644508 /nfs/dbraw/zinc/64/45/08/1366644508.db2.gz BUYWQDCPYNGLSA-GUDVDZBRSA-N 2 2 346.519 3.121 20 30 EGEDLP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192294044 1367741850 /nfs/dbraw/zinc/74/18/50/1367741850.db2.gz LEPLAUGKLKOQJI-DLBZAZTESA-N 2 2 346.519 3.333 20 30 EGEDLP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192294044 1367741855 /nfs/dbraw/zinc/74/18/55/1367741855.db2.gz LEPLAUGKLKOQJI-DLBZAZTESA-N 2 2 346.519 3.333 20 30 EGEDLP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001192576904 1367823333 /nfs/dbraw/zinc/82/33/33/1367823333.db2.gz ASCSTEIOBFOCAI-ROUUACIJSA-N 2 2 332.492 3.113 20 30 EGEDLP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001192576904 1367823340 /nfs/dbraw/zinc/82/33/40/1367823340.db2.gz ASCSTEIOBFOCAI-ROUUACIJSA-N 2 2 332.492 3.113 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001195845045 1368501959 /nfs/dbraw/zinc/50/19/59/1368501959.db2.gz DSDVIZUJGIHVGT-MRXNPFEDSA-N 2 2 340.471 3.145 20 30 EGEDLP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001195845045 1368501962 /nfs/dbraw/zinc/50/19/62/1368501962.db2.gz DSDVIZUJGIHVGT-MRXNPFEDSA-N 2 2 340.471 3.145 20 30 EGEDLP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001112537375 1368918867 /nfs/dbraw/zinc/91/88/67/1368918867.db2.gz CQWZWSXFYHNAGO-BJLQDIEVSA-N 2 2 344.503 3.019 20 30 EGEDLP CCCCCCCC[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001201826498 1369629893 /nfs/dbraw/zinc/62/98/93/1369629893.db2.gz YELMAIQDHRYIHO-UHFFFAOYSA-N 2 2 347.551 3.483 20 30 EGEDLP CCCCCCCC[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001201826498 1369629897 /nfs/dbraw/zinc/62/98/97/1369629897.db2.gz YELMAIQDHRYIHO-UHFFFAOYSA-N 2 2 347.551 3.483 20 30 EGEDLP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C12CCC2 ZINC001203014373 1369953953 /nfs/dbraw/zinc/95/39/53/1369953953.db2.gz PCEMRFFRXAODTN-ROUUACIJSA-N 2 2 344.503 3.106 20 30 EGEDLP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C12CCC2 ZINC001203014373 1369953954 /nfs/dbraw/zinc/95/39/54/1369953954.db2.gz PCEMRFFRXAODTN-ROUUACIJSA-N 2 2 344.503 3.106 20 30 EGEDLP C=CC[NH2+]C1(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCCCC1 ZINC001115651769 1370638854 /nfs/dbraw/zinc/63/88/54/1370638854.db2.gz KUAFECKAPNQNBW-UHFFFAOYSA-N 2 2 338.455 3.081 20 30 EGEDLP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001208551873 1371813654 /nfs/dbraw/zinc/81/36/54/1371813654.db2.gz PUXPIOTTWNJRCV-KRWDZBQOSA-N 2 2 340.471 3.275 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001209578019 1372141540 /nfs/dbraw/zinc/14/15/40/1372141540.db2.gz JOZFUTGMVPZNND-SJORKVTESA-N 2 2 346.519 3.381 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)CC[C@@H]1C ZINC001132195849 1375201039 /nfs/dbraw/zinc/20/10/39/1375201039.db2.gz WJFGPWAXJCGUFF-ROUUACIJSA-N 2 2 346.519 3.068 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)CC[C@@H]1C ZINC001132195849 1375201042 /nfs/dbraw/zinc/20/10/42/1375201042.db2.gz WJFGPWAXJCGUFF-ROUUACIJSA-N 2 2 346.519 3.068 20 30 EGEDLP C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001226886295 1375352676 /nfs/dbraw/zinc/35/26/76/1375352676.db2.gz WNUOHVPGGKLILZ-BRSBDYLESA-N 2 2 344.503 3.277 20 30 EGEDLP C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001226886295 1375352678 /nfs/dbraw/zinc/35/26/78/1375352678.db2.gz WNUOHVPGGKLILZ-BRSBDYLESA-N 2 2 344.503 3.277 20 30 EGEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132781424 1375560791 /nfs/dbraw/zinc/56/07/91/1375560791.db2.gz BAHHWDWDYLINGB-ZWKOTPCHSA-N 2 2 346.519 3.163 20 30 EGEDLP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001132919186 1375643755 /nfs/dbraw/zinc/64/37/55/1375643755.db2.gz FIBAQMJASZNAPM-WFASDCNBSA-N 2 2 346.862 3.003 20 30 EGEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139707725 1377938227 /nfs/dbraw/zinc/93/82/27/1377938227.db2.gz QTNFCOPCGAICKI-KRWDZBQOSA-N 2 2 332.407 3.396 20 30 EGEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139707725 1377938228 /nfs/dbraw/zinc/93/82/28/1377938228.db2.gz QTNFCOPCGAICKI-KRWDZBQOSA-N 2 2 332.407 3.396 20 30 EGEDLP C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001154078207 1380199500 /nfs/dbraw/zinc/19/95/00/1380199500.db2.gz GQTSIAKRDZXXHU-QZTJIDSGSA-N 2 2 346.519 3.019 20 30 EGEDLP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001154078207 1380199503 /nfs/dbraw/zinc/19/95/03/1380199503.db2.gz GQTSIAKRDZXXHU-QZTJIDSGSA-N 2 2 346.519 3.019 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001165717982 1383331106 /nfs/dbraw/zinc/33/11/06/1383331106.db2.gz BXERDHWMTCPWIT-INIZCTEOSA-N 2 2 346.519 3.157 20 30 EGEDLP C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001171896380 1384673942 /nfs/dbraw/zinc/67/39/42/1384673942.db2.gz NDVXHNZIYWWNMX-SFHVURJKSA-N 2 2 348.535 3.364 20 30 EGEDLP COc1ccccc1C1([NH3+])CC[NH+]([C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172299403 1384763139 /nfs/dbraw/zinc/76/31/39/1384763139.db2.gz KETQCRKRZHHINS-QGZVFWFLSA-N 2 2 349.478 3.448 20 30 EGEDLP C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001174581390 1385122386 /nfs/dbraw/zinc/12/23/86/1385122386.db2.gz QVJMCPHQBGNRQL-SFHVURJKSA-N 2 2 334.508 3.284 20 30 EGEDLP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001177431324 1385954554 /nfs/dbraw/zinc/95/45/54/1385954554.db2.gz SYVWODJBBQBGAV-GOSISDBHSA-N 2 2 346.519 3.409 20 30 EGEDLP C=C(C)CC[NH2+]CCCCCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001178483931 1386232127 /nfs/dbraw/zinc/23/21/27/1386232127.db2.gz KTQYMZHKAIRMLK-UHFFFAOYSA-N 2 2 342.487 3.489 20 30 EGEDLP C=CCC[C@@H](C)[NH+]1CCC(N(CCC)C(=O)Cc2c[nH+]cn2C)CC1 ZINC001752441738 1440181476 /nfs/dbraw/zinc/18/14/76/1440181476.db2.gz LFBMAIXZVGJSQY-QGZVFWFLSA-N 2 2 346.519 3.020 20 30 EGEDLP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001752828000 1440224446 /nfs/dbraw/zinc/22/44/46/1440224446.db2.gz WEPZCWANFAWKPH-MOPGFXCFSA-N 2 2 346.519 3.407 20 30 EGEDLP C=C(Cl)C[NH2+]CCC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001753570421 1440438307 /nfs/dbraw/zinc/43/83/07/1440438307.db2.gz GJWAFAVBRWVWLK-UHFFFAOYSA-N 2 2 346.862 3.147 20 30 EGEDLP C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001754557087 1440632159 /nfs/dbraw/zinc/63/21/59/1440632159.db2.gz BYSCPCYMMZBVLH-ICSRJNTNSA-N 2 2 344.503 3.115 20 30 EGEDLP C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001754557087 1440632160 /nfs/dbraw/zinc/63/21/60/1440632160.db2.gz BYSCPCYMMZBVLH-ICSRJNTNSA-N 2 2 344.503 3.115 20 30 EGEDLP C=CC[NH2+]C1(CC)CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001755069966 1440746153 /nfs/dbraw/zinc/74/61/53/1440746153.db2.gz NSJIYKKFVTYSES-KRWDZBQOSA-N 2 2 332.492 3.017 20 30 EGEDLP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001755274864 1440798654 /nfs/dbraw/zinc/79/86/54/1440798654.db2.gz MPIDYVVRVPZHOY-UHFFFAOYSA-N 2 2 346.519 3.252 20 30 EGEDLP N#Cc1ccc(OC2CCC([NH2+]Cc3cccc4[nH+]ccn43)CC2)nc1 ZINC000179431580 233024344 /nfs/dbraw/zinc/02/43/44/233024344.db2.gz WDKMPQCVNCFTIT-UHFFFAOYSA-N 2 2 347.422 3.081 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCC[C@@H]3CCCCO3)CC2)cc1 ZINC000184001059 235282644 /nfs/dbraw/zinc/28/26/44/235282644.db2.gz OTNGFQMRXDNSMQ-NRFANRHFSA-N 2 2 341.499 3.462 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCO[C@H](C4CC4)C3)CC2)cc1 ZINC000155116525 224361261 /nfs/dbraw/zinc/36/12/61/224361261.db2.gz PCQWJTDVCGUTFU-RTWAWAEBSA-N 2 2 339.483 3.070 20 30 EGEDLP Cc1ccn2c(CN(CC[NH+](C)C)Cc3ccc(C#N)cc3)c[nH+]c2c1 ZINC000348920227 156288102 /nfs/dbraw/zinc/28/81/02/156288102.db2.gz JIOSFDPSHGPBOS-UHFFFAOYSA-N 2 2 347.466 3.078 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3Cc4ccccc4O3)CC2)cc1 ZINC000344130166 164111175 /nfs/dbraw/zinc/11/11/75/164111175.db2.gz QRNIKKPPXIJDFQ-OAQYLSRUSA-N 2 2 347.462 3.116 20 30 EGEDLP N#Cc1ccc(N2CCC([NH2+][C@H]3CC[N@@H+](C4CCCC4)C3)CC2)cc1 ZINC000367601999 168247784 /nfs/dbraw/zinc/24/77/84/168247784.db2.gz QXTBYAABEUDTSC-IBGZPJMESA-N 2 2 338.499 3.134 20 30 EGEDLP N#Cc1ccc(N2CCC([NH2+][C@H]3CC[N@H+](C4CCCC4)C3)CC2)cc1 ZINC000367601999 168247787 /nfs/dbraw/zinc/24/77/87/168247787.db2.gz QXTBYAABEUDTSC-IBGZPJMESA-N 2 2 338.499 3.134 20 30 EGEDLP C[N@H+](Cc1ccc(C#N)s1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449786941 267315471 /nfs/dbraw/zinc/31/54/71/267315471.db2.gz RHYDQIRDJQLAAO-UHFFFAOYSA-N 2 2 331.407 3.468 20 30 EGEDLP C[N@@H+](Cc1ccc(C#N)s1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449786941 267315473 /nfs/dbraw/zinc/31/54/73/267315473.db2.gz RHYDQIRDJQLAAO-UHFFFAOYSA-N 2 2 331.407 3.468 20 30 EGEDLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000166374703 454910895 /nfs/dbraw/zinc/91/08/95/454910895.db2.gz AGCQOPDXWDOPHZ-HXUWFJFHSA-N 2 2 335.451 3.321 20 30 EGEDLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000166374703 454910900 /nfs/dbraw/zinc/91/09/00/454910900.db2.gz AGCQOPDXWDOPHZ-HXUWFJFHSA-N 2 2 335.451 3.321 20 30 EGEDLP C=C(C)COc1cc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1OC ZINC000151103358 454937982 /nfs/dbraw/zinc/93/79/82/454937982.db2.gz ZLQAHWSFAQGPNO-WBVHZDCISA-N 2 2 330.472 3.365 20 30 EGEDLP C=C(C)COc1cc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccc1OC ZINC000151103358 454937985 /nfs/dbraw/zinc/93/79/85/454937985.db2.gz ZLQAHWSFAQGPNO-WBVHZDCISA-N 2 2 330.472 3.365 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000180164349 455142665 /nfs/dbraw/zinc/14/26/65/455142665.db2.gz SAFVTCOGSNUXEP-UHFFFAOYSA-N 3 2 333.442 3.033 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(C3CC3)nc3sccn23)CC1 ZINC000181775857 455381615 /nfs/dbraw/zinc/38/16/15/455381615.db2.gz PERRPJYYZBLASN-UHFFFAOYSA-N 2 2 330.501 3.403 20 30 EGEDLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000185731075 455608963 /nfs/dbraw/zinc/60/89/63/455608963.db2.gz QNWPVPAVIHETJT-IAGOWNOFSA-N 2 2 342.487 3.331 20 30 EGEDLP C[NH+](C)C1CC[NH+](CCNc2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000268222146 455623445 /nfs/dbraw/zinc/62/34/45/455623445.db2.gz SKEZJKBNXKERDF-UHFFFAOYSA-N 2 2 340.393 3.015 20 30 EGEDLP CO[C@@H]1[C@H](C)[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000271899383 455798512 /nfs/dbraw/zinc/79/85/12/455798512.db2.gz VFORVTCDGVRYMW-CDHQVMDDSA-N 2 2 341.499 3.172 20 30 EGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCCCO1 ZINC000271948207 455802202 /nfs/dbraw/zinc/80/22/02/455802202.db2.gz YYIIIAFOKUFAOC-OXQOHEQNSA-N 2 2 327.472 3.070 20 30 EGEDLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3cccc(C#N)n3)cc2)CC1 ZINC000270088162 455874738 /nfs/dbraw/zinc/87/47/38/455874738.db2.gz WTXFIVHVNOFTES-UHFFFAOYSA-N 2 2 335.455 3.475 20 30 EGEDLP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000280937863 456088122 /nfs/dbraw/zinc/08/81/22/456088122.db2.gz VVRIJOWPDPXZAY-FPOVZHCZSA-N 2 2 339.483 3.093 20 30 EGEDLP C=CCC[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccco1 ZINC000340505226 456497978 /nfs/dbraw/zinc/49/79/78/456497978.db2.gz NJZTWLADWZCFRX-WOJBJXKFSA-N 2 2 340.467 3.296 20 30 EGEDLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348303789 456607981 /nfs/dbraw/zinc/60/79/81/456607981.db2.gz FPXNMIQKVPIHJC-MOPGFXCFSA-N 2 2 346.906 3.007 20 30 EGEDLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348303789 456607986 /nfs/dbraw/zinc/60/79/86/456607986.db2.gz FPXNMIQKVPIHJC-MOPGFXCFSA-N 2 2 346.906 3.007 20 30 EGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](Cc3ccccn3)CC1)CC2 ZINC000353413894 456686194 /nfs/dbraw/zinc/68/61/94/456686194.db2.gz RLCUFVRBYCWBIL-OAQYLSRUSA-N 2 2 332.451 3.195 20 30 EGEDLP C[N@H+](Cc1ccc(CC#N)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000343593151 456730206 /nfs/dbraw/zinc/73/02/06/456730206.db2.gz AJLBHBUEROGDPG-UHFFFAOYSA-N 2 2 348.494 3.287 20 30 EGEDLP C[N@@H+](Cc1ccc(CC#N)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000343593151 456730211 /nfs/dbraw/zinc/73/02/11/456730211.db2.gz AJLBHBUEROGDPG-UHFFFAOYSA-N 2 2 348.494 3.287 20 30 EGEDLP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328948541 456798927 /nfs/dbraw/zinc/79/89/27/456798927.db2.gz KNZXRMYBBKWKOM-INIZCTEOSA-N 2 2 330.476 3.057 20 30 EGEDLP O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329361035 456878727 /nfs/dbraw/zinc/87/87/27/456878727.db2.gz IIEHAEPADFQUHB-OAHLLOKOSA-N 2 2 341.459 3.416 20 30 EGEDLP COCC[N@H+](C)CC[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccccc1 ZINC000348847951 456882700 /nfs/dbraw/zinc/88/27/00/456882700.db2.gz IPQXQXGOUXYZHR-OAQYLSRUSA-N 2 2 337.467 3.357 20 30 EGEDLP COCC[N@@H+](C)CC[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccccc1 ZINC000348847951 456882703 /nfs/dbraw/zinc/88/27/03/456882703.db2.gz IPQXQXGOUXYZHR-OAQYLSRUSA-N 2 2 337.467 3.357 20 30 EGEDLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000329486239 456898517 /nfs/dbraw/zinc/89/85/17/456898517.db2.gz SXBQBLHQEHTBBH-XHSDSOJGSA-N 2 2 332.492 3.159 20 30 EGEDLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000329486239 456898522 /nfs/dbraw/zinc/89/85/22/456898522.db2.gz SXBQBLHQEHTBBH-XHSDSOJGSA-N 2 2 332.492 3.159 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)CC1 ZINC000359386770 457079141 /nfs/dbraw/zinc/07/91/41/457079141.db2.gz LTHGFIZKVVDRSA-SFHVURJKSA-N 2 2 329.444 3.471 20 30 EGEDLP Cc1cc(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c(C#N)c[nH+]1 ZINC000425208457 457462027 /nfs/dbraw/zinc/46/20/27/457462027.db2.gz OVCFELHBZXLFRN-UHFFFAOYSA-N 2 2 342.393 3.038 20 30 EGEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1C ZINC000365632759 457766998 /nfs/dbraw/zinc/76/69/98/457766998.db2.gz UFGRYGNLYIROFI-QGZVFWFLSA-N 2 2 340.471 3.087 20 30 EGEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1C ZINC000365632759 457767008 /nfs/dbraw/zinc/76/70/08/457767008.db2.gz UFGRYGNLYIROFI-QGZVFWFLSA-N 2 2 340.471 3.087 20 30 EGEDLP Cc1cc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)ccc1C#N ZINC000443958177 457830533 /nfs/dbraw/zinc/83/05/33/457830533.db2.gz CFXRFMZMEMYOND-UHFFFAOYSA-N 2 2 348.494 3.169 20 30 EGEDLP CC1(C#N)CCC([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000449071220 458419557 /nfs/dbraw/zinc/41/95/57/458419557.db2.gz GRQMFENJPUFZMP-UHFFFAOYSA-N 2 2 340.515 3.261 20 30 EGEDLP Cc1ncsc1CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000449470744 458424361 /nfs/dbraw/zinc/42/43/61/458424361.db2.gz YRJDBCBRGXXJGC-UHFFFAOYSA-N 2 2 340.496 3.120 20 30 EGEDLP C=CC[NH+](CC=C)[C@H](CNCc1cn2cc(C)ccc2[nH+]1)C(C)C ZINC000515168135 458806868 /nfs/dbraw/zinc/80/68/68/458806868.db2.gz DUBSUCNRSZFPOO-LJQANCHMSA-N 2 2 326.488 3.431 20 30 EGEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000567401947 459100649 /nfs/dbraw/zinc/10/06/49/459100649.db2.gz CCUKVGZKCAPRFW-ZDUSSCGKSA-N 2 2 345.244 3.044 20 30 EGEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000567401947 459100659 /nfs/dbraw/zinc/10/06/59/459100659.db2.gz CCUKVGZKCAPRFW-ZDUSSCGKSA-N 2 2 345.244 3.044 20 30 EGEDLP N#Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)nc1 ZINC000573695433 459720587 /nfs/dbraw/zinc/72/05/87/459720587.db2.gz MFPWTSMETZQROK-UNMCSNQZSA-N 2 2 346.478 3.440 20 30 EGEDLP N#Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)nc1 ZINC000573695433 459720589 /nfs/dbraw/zinc/72/05/89/459720589.db2.gz MFPWTSMETZQROK-UNMCSNQZSA-N 2 2 346.478 3.440 20 30 EGEDLP N#Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)nc1 ZINC000573695433 459720595 /nfs/dbraw/zinc/72/05/95/459720595.db2.gz MFPWTSMETZQROK-UNMCSNQZSA-N 2 2 346.478 3.440 20 30 EGEDLP N#Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)nc1 ZINC000573695433 459720597 /nfs/dbraw/zinc/72/05/97/459720597.db2.gz MFPWTSMETZQROK-UNMCSNQZSA-N 2 2 346.478 3.440 20 30 EGEDLP CCCC[C@H](COC)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593703454 459957905 /nfs/dbraw/zinc/95/79/05/459957905.db2.gz VOQRSMHEBTXOMY-HXUWFJFHSA-N 2 2 329.488 3.317 20 30 EGEDLP CC[C@@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CCOCC1 ZINC000593719290 459962183 /nfs/dbraw/zinc/96/21/83/459962183.db2.gz BCRZZIJKNZHCOI-OAQYLSRUSA-N 2 2 341.499 3.317 20 30 EGEDLP COCC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593725029 459965104 /nfs/dbraw/zinc/96/51/04/459965104.db2.gz HWERGZDUVMOLCW-CTNGQTDRSA-N 2 2 341.499 3.317 20 30 EGEDLP Cc1cc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)sn1 ZINC000602707998 460077231 /nfs/dbraw/zinc/07/72/31/460077231.db2.gz VSXYHBZMQMBKLK-UHFFFAOYSA-N 2 2 326.469 3.077 20 30 EGEDLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H](C)c3cccc(C#N)c3)c2cc1C ZINC000611386857 460349956 /nfs/dbraw/zinc/34/99/56/460349956.db2.gz AXPJGJYCBHYIDK-VQIMIIECSA-N 2 2 348.450 3.237 20 30 EGEDLP N#Cc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1Cl ZINC000619755173 460431956 /nfs/dbraw/zinc/43/19/56/460431956.db2.gz BBVFEVQMXHJZAC-UHFFFAOYSA-N 2 2 326.831 3.365 20 30 EGEDLP C[C@@H](C#N)Oc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000728711485 574768268 /nfs/dbraw/zinc/76/82/68/574768268.db2.gz FUXZLQWLRHJGTI-MAUKXSAKSA-N 2 2 326.444 3.378 20 30 EGEDLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+]C[C@@H](C)CCC#N ZINC000876828113 1299019228 /nfs/dbraw/zinc/01/92/28/1299019228.db2.gz LWODFLKXCJBFDW-INIZCTEOSA-N 2 2 330.476 3.189 20 30 EGEDLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878149093 1299778441 /nfs/dbraw/zinc/77/84/41/1299778441.db2.gz SJOHMKOORKHWKR-FPOVZHCZSA-N 2 2 341.499 3.091 20 30 EGEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878149093 1299778448 /nfs/dbraw/zinc/77/84/48/1299778448.db2.gz SJOHMKOORKHWKR-FPOVZHCZSA-N 2 2 341.499 3.091 20 30 EGEDLP C=CC(C)(C)CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000879290756 1300470543 /nfs/dbraw/zinc/47/05/43/1300470543.db2.gz MSBKLGMISIILDY-RBUKOAKNSA-N 2 2 349.563 3.384 20 30 EGEDLP C=CC(C)(C)CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000879290756 1300470547 /nfs/dbraw/zinc/47/05/47/1300470547.db2.gz MSBKLGMISIILDY-RBUKOAKNSA-N 2 2 349.563 3.384 20 30 EGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000815652713 1319037680 /nfs/dbraw/zinc/03/76/80/1319037680.db2.gz OQRQUDCIWLBWQH-SFHVURJKSA-N 2 2 338.499 3.403 20 30 EGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000815652713 1319037686 /nfs/dbraw/zinc/03/76/86/1319037686.db2.gz OQRQUDCIWLBWQH-SFHVURJKSA-N 2 2 338.499 3.403 20 30 EGEDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(OCC#N)cc1 ZINC000817942110 1319470161 /nfs/dbraw/zinc/47/01/61/1319470161.db2.gz MLDHSYSNCHHPSA-QRWLVFNGSA-N 2 2 338.455 3.006 20 30 EGEDLP CN(C)C(NCc1ccc(-n2cc[nH+]c2)cc1)=[NH+]Cc1ccccc1 ZINC000849064566 1322063910 /nfs/dbraw/zinc/06/39/10/1322063910.db2.gz MKEVNOPNZODZBW-UHFFFAOYSA-N 2 2 333.439 3.080 20 30 EGEDLP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025289250 1324112545 /nfs/dbraw/zinc/11/25/45/1324112545.db2.gz PAGCHMZUSPKWPP-DLBZAZTESA-N 2 2 344.503 3.109 20 30 EGEDLP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025289250 1324112551 /nfs/dbraw/zinc/11/25/51/1324112551.db2.gz PAGCHMZUSPKWPP-DLBZAZTESA-N 2 2 344.503 3.109 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001025293865 1324121434 /nfs/dbraw/zinc/12/14/34/1324121434.db2.gz VMEJBNVJJYMDJX-RTBURBONSA-N 2 2 344.503 3.072 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001025293865 1324121436 /nfs/dbraw/zinc/12/14/36/1324121436.db2.gz VMEJBNVJJYMDJX-RTBURBONSA-N 2 2 344.503 3.072 20 30 EGEDLP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000968859004 1336071044 /nfs/dbraw/zinc/07/10/44/1336071044.db2.gz KNRNRZJZKNUIDQ-SFHVURJKSA-N 2 2 340.471 3.193 20 30 EGEDLP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000968859004 1336071046 /nfs/dbraw/zinc/07/10/46/1336071046.db2.gz KNRNRZJZKNUIDQ-SFHVURJKSA-N 2 2 340.471 3.193 20 30 EGEDLP C=CCC[NH+]1CCC2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC1 ZINC001040747726 1345573684 /nfs/dbraw/zinc/57/36/84/1345573684.db2.gz VBUCNEIELLTBLU-UHFFFAOYSA-N 2 2 338.455 3.067 20 30 EGEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC(C)(C)C1 ZINC001089384143 1360385941 /nfs/dbraw/zinc/38/59/41/1360385941.db2.gz AKIFOAUWVJHRHJ-KRWDZBQOSA-N 2 2 340.471 3.049 20 30 EGEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC(C)(C)C1 ZINC001089384143 1360385944 /nfs/dbraw/zinc/38/59/44/1360385944.db2.gz AKIFOAUWVJHRHJ-KRWDZBQOSA-N 2 2 340.471 3.049 20 30 EGEDLP C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001184905870 1387559923 /nfs/dbraw/zinc/55/99/23/1387559923.db2.gz XNFODJBYMLEDKW-RBUKOAKNSA-N 2 2 346.519 3.094 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001103290284 1365475838 /nfs/dbraw/zinc/47/58/38/1365475838.db2.gz IHPRTQVLRHRLCV-RTBURBONSA-N 2 2 346.519 3.094 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001103290284 1365475843 /nfs/dbraw/zinc/47/58/43/1365475843.db2.gz IHPRTQVLRHRLCV-RTBURBONSA-N 2 2 346.519 3.094 20 30 EGEDLP CCCCCCC[N@@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC001107652427 1367095325 /nfs/dbraw/zinc/09/53/25/1367095325.db2.gz TUEWJCRTEUSQCV-UYAOXDASSA-N 2 2 346.519 3.214 20 30 EGEDLP CCCCCCC[N@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC001107652427 1367095328 /nfs/dbraw/zinc/09/53/28/1367095328.db2.gz TUEWJCRTEUSQCV-UYAOXDASSA-N 2 2 346.519 3.214 20 30 EGEDLP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001190889383 1367375735 /nfs/dbraw/zinc/37/57/35/1367375735.db2.gz JBMUFCNLKSECIK-SFHVURJKSA-N 2 2 347.503 3.136 20 30 EGEDLP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001190889383 1367375738 /nfs/dbraw/zinc/37/57/38/1367375738.db2.gz JBMUFCNLKSECIK-SFHVURJKSA-N 2 2 347.503 3.136 20 30 EGEDLP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001111788424 1368462532 /nfs/dbraw/zinc/46/25/32/1368462532.db2.gz BSWCMZLABGYDNR-JXFKEZNVSA-N 2 2 338.455 3.113 20 30 EGEDLP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001111788424 1368462534 /nfs/dbraw/zinc/46/25/34/1368462534.db2.gz BSWCMZLABGYDNR-JXFKEZNVSA-N 2 2 338.455 3.113 20 30 EGEDLP CCCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001196208412 1368568300 /nfs/dbraw/zinc/56/83/00/1368568300.db2.gz IUBCVQZKTPLIDF-IAGOWNOFSA-N 2 2 332.492 3.018 20 30 EGEDLP CCCCCCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001196208412 1368568304 /nfs/dbraw/zinc/56/83/04/1368568304.db2.gz IUBCVQZKTPLIDF-IAGOWNOFSA-N 2 2 332.492 3.018 20 30 EGEDLP CCCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001196208412 1368568307 /nfs/dbraw/zinc/56/83/07/1368568307.db2.gz IUBCVQZKTPLIDF-IAGOWNOFSA-N 2 2 332.492 3.018 20 30 EGEDLP CCCCCCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001196208412 1368568312 /nfs/dbraw/zinc/56/83/12/1368568312.db2.gz IUBCVQZKTPLIDF-IAGOWNOFSA-N 2 2 332.492 3.018 20 30 EGEDLP CCCCCCCCCC[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001201875143 1369637970 /nfs/dbraw/zinc/63/79/70/1369637970.db2.gz QRRWRIGXTJBKIF-UHFFFAOYSA-N 2 2 339.568 3.077 20 30 EGEDLP C=CCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C12CCC2 ZINC001203242830 1370036916 /nfs/dbraw/zinc/03/69/16/1370036916.db2.gz XKNLDSSUBNTTTN-QZTJIDSGSA-N 2 2 344.503 3.037 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001207703069 1371479336 /nfs/dbraw/zinc/47/93/36/1371479336.db2.gz JTCCHZNNMXIMEP-DNVCBOLYSA-N 2 2 340.471 3.359 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001207703069 1371479339 /nfs/dbraw/zinc/47/93/39/1371479339.db2.gz JTCCHZNNMXIMEP-DNVCBOLYSA-N 2 2 340.471 3.359 20 30 EGEDLP C=CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001120366306 1371550077 /nfs/dbraw/zinc/55/00/77/1371550077.db2.gz YTZYZUXSTCAKCH-MSOLQXFVSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001120366306 1371550082 /nfs/dbraw/zinc/55/00/82/1371550082.db2.gz YTZYZUXSTCAKCH-MSOLQXFVSA-N 2 2 344.503 3.012 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001209578014 1372141712 /nfs/dbraw/zinc/14/17/12/1372141712.db2.gz JOZFUTGMVPZNND-IAGOWNOFSA-N 2 2 346.519 3.381 20 30 EGEDLP C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001122285507 1372221774 /nfs/dbraw/zinc/22/17/74/1372221774.db2.gz YOGKZOZMAYCYBZ-FUSSNKQKSA-N 2 2 344.503 3.035 20 30 EGEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001214631945 1373092923 /nfs/dbraw/zinc/09/29/23/1373092923.db2.gz BTUSNRIHHSAYFG-IIDMSEBBSA-N 2 2 340.471 3.048 20 30 EGEDLP CCCCCCC[NH+]1CCC(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001229559595 1375854642 /nfs/dbraw/zinc/85/46/42/1375854642.db2.gz ZDACWMVWDZVOHQ-MRXNPFEDSA-N 2 2 334.508 3.139 20 30 EGEDLP CCCCCCC[NH+]1CCC(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001229559595 1375854649 /nfs/dbraw/zinc/85/46/49/1375854649.db2.gz ZDACWMVWDZVOHQ-MRXNPFEDSA-N 2 2 334.508 3.139 20 30 EGEDLP C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001230552402 1376073123 /nfs/dbraw/zinc/07/31/23/1376073123.db2.gz OPXCGMFNNLOWQR-GOSISDBHSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001230552402 1376073134 /nfs/dbraw/zinc/07/31/34/1376073134.db2.gz OPXCGMFNNLOWQR-GOSISDBHSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCn1cc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC001139773068 1377948747 /nfs/dbraw/zinc/94/87/47/1377948747.db2.gz YFTBQQYSLVCMQW-OAQYLSRUSA-N 2 2 336.483 3.167 20 30 EGEDLP C=CCn1cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC001139773068 1377948750 /nfs/dbraw/zinc/94/87/50/1377948750.db2.gz YFTBQQYSLVCMQW-OAQYLSRUSA-N 2 2 336.483 3.167 20 30 EGEDLP C=CCn1cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC001139773068 1377948755 /nfs/dbraw/zinc/94/87/55/1377948755.db2.gz YFTBQQYSLVCMQW-OAQYLSRUSA-N 2 2 336.483 3.167 20 30 EGEDLP C=CCn1cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC001139773068 1377948757 /nfs/dbraw/zinc/94/87/57/1377948757.db2.gz YFTBQQYSLVCMQW-OAQYLSRUSA-N 2 2 336.483 3.167 20 30 EGEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(-c2ccccc2)cc[nH+]1 ZINC001159921348 1381937342 /nfs/dbraw/zinc/93/73/42/1381937342.db2.gz QBJKMUDYADYHGX-SFHVURJKSA-N 2 2 339.439 3.387 20 30 EGEDLP C=CCCCCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001165594298 1383313699 /nfs/dbraw/zinc/31/36/99/1383313699.db2.gz YVQDXIHNQVZZDQ-IAGOWNOFSA-N 2 2 344.503 3.136 20 30 EGEDLP C=CCCCCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001165594298 1383313705 /nfs/dbraw/zinc/31/37/05/1383313705.db2.gz YVQDXIHNQVZZDQ-IAGOWNOFSA-N 2 2 344.503 3.136 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CCCC[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001171487294 1384538440 /nfs/dbraw/zinc/53/84/40/1384538440.db2.gz SQJSAIBZHAVBFH-DLBZAZTESA-N 2 2 347.503 3.252 20 30 EGEDLP CC1(C#N)CCC([N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)CC1 ZINC001173594409 1384984190 /nfs/dbraw/zinc/98/41/90/1384984190.db2.gz BZDXYOKZLORFDE-QAJIEZEQSA-N 2 2 338.499 3.308 20 30 EGEDLP CC1(C#N)CCC([N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)CC1 ZINC001173594409 1384984191 /nfs/dbraw/zinc/98/41/91/1384984191.db2.gz BZDXYOKZLORFDE-QAJIEZEQSA-N 2 2 338.499 3.308 20 30 EGEDLP CC1(C#N)CCC([NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)CC1 ZINC001173594409 1384984195 /nfs/dbraw/zinc/98/41/95/1384984195.db2.gz BZDXYOKZLORFDE-QAJIEZEQSA-N 2 2 338.499 3.308 20 30 EGEDLP CC1(C#N)CCC([NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)CC1 ZINC001173594409 1384984197 /nfs/dbraw/zinc/98/41/97/1384984197.db2.gz BZDXYOKZLORFDE-QAJIEZEQSA-N 2 2 338.499 3.308 20 30 EGEDLP COc1cc(N(C2CC[NH2+]CC2)C2CCC(C)(C#N)CC2)cc[nH+]1 ZINC001173597487 1384984427 /nfs/dbraw/zinc/98/44/27/1384984427.db2.gz VLBRQKQRUJVENQ-UHFFFAOYSA-N 2 2 328.460 3.121 20 30 EGEDLP C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001174581389 1385122214 /nfs/dbraw/zinc/12/22/14/1385122214.db2.gz QVJMCPHQBGNRQL-GOSISDBHSA-N 2 2 334.508 3.284 20 30 EGEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001175993700 1385455159 /nfs/dbraw/zinc/45/51/59/1385455159.db2.gz VPGRXXUUFYDYLI-KRWDZBQOSA-N 2 2 340.471 3.327 20 30 EGEDLP C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)CCc1c[nH]c[nH+]1 ZINC001177340030 1385920258 /nfs/dbraw/zinc/92/02/58/1385920258.db2.gz XVRRLJKHBJIWDK-UHFFFAOYSA-N 2 2 346.519 3.307 20 30 EGEDLP C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)CCc1c[nH+]c[nH]1 ZINC001177340030 1385920263 /nfs/dbraw/zinc/92/02/63/1385920263.db2.gz XVRRLJKHBJIWDK-UHFFFAOYSA-N 2 2 346.519 3.307 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001178873358 1386335298 /nfs/dbraw/zinc/33/52/98/1386335298.db2.gz XUANGSQIBLROGG-MSOLQXFVSA-N 2 2 346.519 3.066 20 30 EGEDLP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001752323951 1440170941 /nfs/dbraw/zinc/17/09/41/1440170941.db2.gz QURUJLULXLKXQL-MSOLQXFVSA-N 2 2 332.492 3.017 20 30 EGEDLP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001752323951 1440170942 /nfs/dbraw/zinc/17/09/42/1440170942.db2.gz QURUJLULXLKXQL-MSOLQXFVSA-N 2 2 332.492 3.017 20 30 EGEDLP COc1ccc([C@H](C[NH2+]Cc2cccc(C#N)c2)[NH+]2CCCC2)cc1 ZINC000053095686 214163767 /nfs/dbraw/zinc/16/37/67/214163767.db2.gz QQQYPKYXZOHTIF-NRFANRHFSA-N 2 2 335.451 3.494 20 30 EGEDLP CN(CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000181444780 529917049 /nfs/dbraw/zinc/91/70/49/529917049.db2.gz OOBOCTRPIUEBCH-UHFFFAOYSA-N 2 2 348.494 3.249 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCSC(F)(F)F)CC2)cc1 ZINC000181542904 234224157 /nfs/dbraw/zinc/22/41/57/234224157.db2.gz QXUWLKSFVOELNJ-UHFFFAOYSA-N 2 2 343.418 3.365 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]4OCC[C@@H]43)CC2)cc1 ZINC000181902033 234374109 /nfs/dbraw/zinc/37/41/09/234374109.db2.gz WHUVVANWBZCBDS-NJYVYQBISA-N 2 2 339.483 3.070 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2nnn(-c3ccc(C)cc3)c2C)CC1 ZINC000268860094 252309038 /nfs/dbraw/zinc/30/90/38/252309038.db2.gz HRGALZMGPFOMKG-INIZCTEOSA-N 2 2 339.487 3.185 20 30 EGEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(C#N)cc3OC(F)F)CC[C@@H]21 ZINC000361674046 144348392 /nfs/dbraw/zinc/34/83/92/144348392.db2.gz BJGWUEUAFFJVLX-HOCLYGCPSA-N 2 2 335.398 3.076 20 30 EGEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(C#N)cc3OC(F)F)CC[C@@H]21 ZINC000361674046 144348393 /nfs/dbraw/zinc/34/83/93/144348393.db2.gz BJGWUEUAFFJVLX-HOCLYGCPSA-N 2 2 335.398 3.076 20 30 EGEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(C#N)cc3OC(F)F)CC[C@@H]21 ZINC000361674046 144348395 /nfs/dbraw/zinc/34/83/95/144348395.db2.gz BJGWUEUAFFJVLX-HOCLYGCPSA-N 2 2 335.398 3.076 20 30 EGEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3OC(F)F)CC[C@@H]21 ZINC000361674046 144348397 /nfs/dbraw/zinc/34/83/97/144348397.db2.gz BJGWUEUAFFJVLX-HOCLYGCPSA-N 2 2 335.398 3.076 20 30 EGEDLP Cc1ncsc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344101549 164103654 /nfs/dbraw/zinc/10/36/54/164103654.db2.gz MABLWOBVMPCYMK-UHFFFAOYSA-N 2 2 326.469 3.077 20 30 EGEDLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000359888869 167258167 /nfs/dbraw/zinc/25/81/67/167258167.db2.gz WHDKVXLAGPLPAU-GOSISDBHSA-N 2 2 335.879 3.144 20 30 EGEDLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000359888869 167258171 /nfs/dbraw/zinc/25/81/71/167258171.db2.gz WHDKVXLAGPLPAU-GOSISDBHSA-N 2 2 335.879 3.144 20 30 EGEDLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000181441740 267181895 /nfs/dbraw/zinc/18/18/95/267181895.db2.gz BFOPIOVHJGMFCY-IBGZPJMESA-N 2 2 348.494 3.421 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000177905278 273485403 /nfs/dbraw/zinc/48/54/03/273485403.db2.gz PGORSMYJUGRSNT-GOSISDBHSA-N 2 2 329.444 3.156 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(C)nn(CC(C)C)c2OCC)CC1 ZINC000106245645 454687692 /nfs/dbraw/zinc/68/76/92/454687692.db2.gz ZOUKDOBYHMAHRS-UHFFFAOYSA-N 2 2 348.535 3.376 20 30 EGEDLP CN(CCC#N)c1ccc(C[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000119032374 455121750 /nfs/dbraw/zinc/12/17/50/455121750.db2.gz VBOJNBBAHMQHHF-UHFFFAOYSA-N 2 2 337.471 3.413 20 30 EGEDLP C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000237493042 455188710 /nfs/dbraw/zinc/18/87/10/455188710.db2.gz XXJWMXJTFONUML-INIZCTEOSA-N 2 2 332.407 3.453 20 30 EGEDLP C[C@H](NC(=[NH2+])NCCCn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000264079123 455189138 /nfs/dbraw/zinc/18/91/38/455189138.db2.gz HZMUXHDTJXGQDA-NSHDSACASA-N 2 2 340.258 3.246 20 30 EGEDLP COC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCCC1 ZINC000186513069 455783927 /nfs/dbraw/zinc/78/39/27/455783927.db2.gz HOZYJPTUZSHWMV-UHFFFAOYSA-N 2 2 341.499 3.462 20 30 EGEDLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(C#N)cc1 ZINC000272181102 455869241 /nfs/dbraw/zinc/86/92/41/455869241.db2.gz FTXOENKZWAIFCI-BEFAXECRSA-N 2 2 335.455 3.267 20 30 EGEDLP Cn1cc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1C#N ZINC000289242715 456119433 /nfs/dbraw/zinc/11/94/33/456119433.db2.gz AALVGQFUGSQLNZ-PMACEKPBSA-N 2 2 331.423 3.112 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000189169252 456245472 /nfs/dbraw/zinc/24/54/72/456245472.db2.gz OSCRTVUVUYLQSO-UHFFFAOYSA-N 2 2 342.462 3.201 20 30 EGEDLP C[N@H+](Cc1ccc(C#N)cc1OC(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353167619 456535918 /nfs/dbraw/zinc/53/59/18/456535918.db2.gz MJLWFDHRUZZFKJ-XYPWUTKMSA-N 2 2 335.398 3.217 20 30 EGEDLP C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353167619 456535921 /nfs/dbraw/zinc/53/59/21/456535921.db2.gz MJLWFDHRUZZFKJ-XYPWUTKMSA-N 2 2 335.398 3.217 20 30 EGEDLP C[NH+](Cc1ccc(C#N)cc1OC(F)F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353167619 456535926 /nfs/dbraw/zinc/53/59/26/456535926.db2.gz MJLWFDHRUZZFKJ-XYPWUTKMSA-N 2 2 335.398 3.217 20 30 EGEDLP C[NH+](Cc1ccc(C#N)cc1OC(F)F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353167619 456535930 /nfs/dbraw/zinc/53/59/30/456535930.db2.gz MJLWFDHRUZZFKJ-XYPWUTKMSA-N 2 2 335.398 3.217 20 30 EGEDLP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000353215014 456566062 /nfs/dbraw/zinc/56/60/62/456566062.db2.gz VQNQFBOQYJBYKF-OXQOHEQNSA-N 2 2 335.451 3.319 20 30 EGEDLP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000353215014 456566071 /nfs/dbraw/zinc/56/60/71/456566071.db2.gz VQNQFBOQYJBYKF-OXQOHEQNSA-N 2 2 335.451 3.319 20 30 EGEDLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)N[C@H]1CCOc2ccccc21 ZINC000329763365 456937510 /nfs/dbraw/zinc/93/75/10/456937510.db2.gz UKLLZRYKWXCZKJ-INIZCTEOSA-N 2 2 340.427 3.069 20 30 EGEDLP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C[C@@H](C)O1 ZINC000360838326 457377076 /nfs/dbraw/zinc/37/70/76/457377076.db2.gz BYXWYFHGPQARPC-CBGDNZLLSA-N 2 2 341.499 3.415 20 30 EGEDLP COc1ccc(C#N)cc1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000370626805 457685453 /nfs/dbraw/zinc/68/54/53/457685453.db2.gz MJLRIRJZXTXCFZ-UHFFFAOYSA-N 2 2 337.423 3.314 20 30 EGEDLP C[C@@H](CC(F)(F)F)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000361457043 457737599 /nfs/dbraw/zinc/73/75/99/457737599.db2.gz PUCAPFZVEQOFFB-ZDUSSCGKSA-N 2 2 325.378 3.453 20 30 EGEDLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CCCC2(C#N)CCOCC2)[nH+]1 ZINC000366893340 457906593 /nfs/dbraw/zinc/90/65/93/457906593.db2.gz GVDOFMHCCSJTEI-SFHVURJKSA-N 2 2 342.487 3.367 20 30 EGEDLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CCCC2(C#N)CCOCC2)[nH+]1 ZINC000366893340 457906597 /nfs/dbraw/zinc/90/65/97/457906597.db2.gz GVDOFMHCCSJTEI-SFHVURJKSA-N 2 2 342.487 3.367 20 30 EGEDLP CC1(C#N)CCC([NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000449185296 458420887 /nfs/dbraw/zinc/42/08/87/458420887.db2.gz NRZLGVWECJUOHS-UHFFFAOYSA-N 2 2 333.520 3.331 20 30 EGEDLP C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000438068130 458527529 /nfs/dbraw/zinc/52/75/29/458527529.db2.gz RAYYOMTVBNFPNM-INIZCTEOSA-N 2 2 340.389 3.210 20 30 EGEDLP C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000438068130 458527531 /nfs/dbraw/zinc/52/75/31/458527531.db2.gz RAYYOMTVBNFPNM-INIZCTEOSA-N 2 2 340.389 3.210 20 30 EGEDLP C[NH+](CC#Cc1ccc(OC(F)(F)F)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000438068130 458527535 /nfs/dbraw/zinc/52/75/35/458527535.db2.gz RAYYOMTVBNFPNM-INIZCTEOSA-N 2 2 340.389 3.210 20 30 EGEDLP C[NH+](CC#Cc1ccc(OC(F)(F)F)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000438068130 458527539 /nfs/dbraw/zinc/52/75/39/458527539.db2.gz RAYYOMTVBNFPNM-INIZCTEOSA-N 2 2 340.389 3.210 20 30 EGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)C(C)C ZINC000554050682 458897162 /nfs/dbraw/zinc/89/71/62/458897162.db2.gz SLRJQZZNVVDQTN-ARFHVFGLSA-N 2 2 334.426 3.385 20 30 EGEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498820484 459607112 /nfs/dbraw/zinc/60/71/12/459607112.db2.gz YMRJMJMVEIHJDK-UXHICEINSA-N 2 2 349.563 3.243 20 30 EGEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498820484 459607115 /nfs/dbraw/zinc/60/71/15/459607115.db2.gz YMRJMJMVEIHJDK-UXHICEINSA-N 2 2 349.563 3.243 20 30 EGEDLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598610271 459962325 /nfs/dbraw/zinc/96/23/25/459962325.db2.gz YIAHCUUFQZOTDD-RBUKOAKNSA-N 2 2 331.504 3.033 20 30 EGEDLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598610271 459962333 /nfs/dbraw/zinc/96/23/33/459962333.db2.gz YIAHCUUFQZOTDD-RBUKOAKNSA-N 2 2 331.504 3.033 20 30 EGEDLP C[C@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000602534115 459986251 /nfs/dbraw/zinc/98/62/51/459986251.db2.gz OFLWXFOPZYUBSN-ZWKOTPCHSA-N 2 2 341.499 3.122 20 30 EGEDLP C[C@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000602534115 459986259 /nfs/dbraw/zinc/98/62/59/459986259.db2.gz OFLWXFOPZYUBSN-ZWKOTPCHSA-N 2 2 341.499 3.122 20 30 EGEDLP CC1CC[NH+]([C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)c2ccccc2)CC1 ZINC000598701327 460000456 /nfs/dbraw/zinc/00/04/56/460000456.db2.gz UISUOXWMBXOKQZ-PMACEKPBSA-N 2 2 343.515 3.350 20 30 EGEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H](C)c3cccc(C#N)c3)c2cc1C ZINC000611386855 460350368 /nfs/dbraw/zinc/35/03/68/460350368.db2.gz AXPJGJYCBHYIDK-LPHOPBHVSA-N 2 2 348.450 3.237 20 30 EGEDLP C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000623403524 460530314 /nfs/dbraw/zinc/53/03/14/460530314.db2.gz ZFZNAJUITAUQOI-CQSZACIVSA-N 2 2 336.863 3.240 20 30 EGEDLP C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000623403524 460530318 /nfs/dbraw/zinc/53/03/18/460530318.db2.gz ZFZNAJUITAUQOI-CQSZACIVSA-N 2 2 336.863 3.240 20 30 EGEDLP N#CCC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000601964625 460964296 /nfs/dbraw/zinc/96/42/96/460964296.db2.gz JMZZYTMMHCEQML-FGZHOGPDSA-N 2 2 349.478 3.258 20 30 EGEDLP COc1ccccc1CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181400225 534047662 /nfs/dbraw/zinc/04/76/62/534047662.db2.gz SBAXZCHFFGXCIQ-UHFFFAOYSA-N 2 2 349.478 3.364 20 30 EGEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(-c3ccncc3)ccc2OC)CC1 ZINC000187220337 526450917 /nfs/dbraw/zinc/45/09/17/526450917.db2.gz NTMNHARBRGHSEX-UHFFFAOYSA-N 2 2 337.467 3.497 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000177907940 526455256 /nfs/dbraw/zinc/45/52/56/526455256.db2.gz VGEPKBOZSDXIFO-CQSZACIVSA-N 2 2 334.460 3.013 20 30 EGEDLP C[NH+](C)[C@H]1CCN(c2ccc(NC3CCC(C)(C#N)CC3)[nH+]c2)C1 ZINC000333252451 547532069 /nfs/dbraw/zinc/53/20/69/547532069.db2.gz DQNPGKRNEPLEOF-RMXPPQQLSA-N 2 2 327.476 3.106 20 30 EGEDLP CCCNC(=[NH2+])NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000104182846 1293020182 /nfs/dbraw/zinc/02/01/82/1293020182.db2.gz GITPOLLRXIERCR-UHFFFAOYSA-N 2 2 347.466 3.413 20 30 EGEDLP CCC[C@]1(C)CCCN(C(NCCc2cn3c([nH+]2)CCCC3)=[NH+]C)C1 ZINC000128326864 1293589471 /nfs/dbraw/zinc/58/94/71/1293589471.db2.gz GSMPIONDPGEXFV-HXUWFJFHSA-N 2 2 345.535 3.240 20 30 EGEDLP COc1cccc(CCCO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)c1 ZINC000759767648 1301157364 /nfs/dbraw/zinc/15/73/64/1301157364.db2.gz UUCSBJFIKJAKNM-UHFFFAOYSA-N 2 2 341.455 3.027 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC[C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000897535786 1310367870 /nfs/dbraw/zinc/36/78/70/1310367870.db2.gz FBCNYQXEZOLLHV-TZIWHRDSSA-N 2 2 341.499 3.053 20 30 EGEDLP CCCC[NH+]=C(NCCc1cn2cccc(C)c2[nH+]1)NC(C)(C)C ZINC000912497405 1318892893 /nfs/dbraw/zinc/89/28/93/1318892893.db2.gz SUQZRJQFZRCVQX-UHFFFAOYSA-N 2 2 329.492 3.319 20 30 EGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000815652573 1319037158 /nfs/dbraw/zinc/03/71/58/1319037158.db2.gz IJUPXRFNRWXRHP-OAQYLSRUSA-N 2 2 340.442 3.468 20 30 EGEDLP C#CC[N@H+](C)CCC[NH2+][C@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000815652573 1319037166 /nfs/dbraw/zinc/03/71/66/1319037166.db2.gz IJUPXRFNRWXRHP-OAQYLSRUSA-N 2 2 340.442 3.468 20 30 EGEDLP C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)c3c(C)cc(C)[nH+]c3C)C2)C1 ZINC000961207513 1319334231 /nfs/dbraw/zinc/33/42/31/1319334231.db2.gz GJQYKLGCXLYQOV-MOPGFXCFSA-N 2 2 341.499 3.367 20 30 EGEDLP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)c3c(C)cc(C)[nH+]c3C)C2)C1 ZINC000961207513 1319334242 /nfs/dbraw/zinc/33/42/42/1319334242.db2.gz GJQYKLGCXLYQOV-MOPGFXCFSA-N 2 2 341.499 3.367 20 30 EGEDLP CC1(C)COCC[N@@H+]1CC[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000849074902 1322067190 /nfs/dbraw/zinc/06/71/90/1322067190.db2.gz LYQHCNYWLZIEPZ-UHFFFAOYSA-N 2 2 344.503 3.051 20 30 EGEDLP CC1(C)COCC[N@H+]1CC[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000849074902 1322067194 /nfs/dbraw/zinc/06/71/94/1322067194.db2.gz LYQHCNYWLZIEPZ-UHFFFAOYSA-N 2 2 344.503 3.051 20 30 EGEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3c(C)cc(C)[nH+]c3C)C[C@H]21 ZINC001026318732 1324723172 /nfs/dbraw/zinc/72/31/72/1324723172.db2.gz ZTAINBLXGUHJCT-GVDBMIGSSA-N 2 2 347.890 3.200 20 30 EGEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000947572862 1333177216 /nfs/dbraw/zinc/17/72/16/1333177216.db2.gz VAQMIFKRKPJHKY-SJLPKXTDSA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000947572862 1333177218 /nfs/dbraw/zinc/17/72/18/1333177218.db2.gz VAQMIFKRKPJHKY-SJLPKXTDSA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034045849 1342185742 /nfs/dbraw/zinc/18/57/42/1342185742.db2.gz NXDQQKJFIVIXCF-GOSISDBHSA-N 2 2 349.906 3.037 20 30 EGEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034045849 1342185746 /nfs/dbraw/zinc/18/57/46/1342185746.db2.gz NXDQQKJFIVIXCF-GOSISDBHSA-N 2 2 349.906 3.037 20 30 EGEDLP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001045969526 1346805024 /nfs/dbraw/zinc/80/50/24/1346805024.db2.gz RWUIOURQTZWCGP-QUCCMNQESA-N 2 2 344.503 3.115 20 30 EGEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001045969526 1346805026 /nfs/dbraw/zinc/80/50/26/1346805026.db2.gz RWUIOURQTZWCGP-QUCCMNQESA-N 2 2 344.503 3.115 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049551796 1347904559 /nfs/dbraw/zinc/90/45/59/1347904559.db2.gz IXGURIMNMFMJGU-RTBURBONSA-N 2 2 338.455 3.208 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049551796 1347904562 /nfs/dbraw/zinc/90/45/62/1347904562.db2.gz IXGURIMNMFMJGU-RTBURBONSA-N 2 2 338.455 3.208 20 30 EGEDLP C=CCC[N@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1C ZINC001071711785 1354870433 /nfs/dbraw/zinc/87/04/33/1354870433.db2.gz DGQQGMSMLNWVKF-SJLPKXTDSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CCC[N@@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1C ZINC001071711785 1354870438 /nfs/dbraw/zinc/87/04/38/1354870438.db2.gz DGQQGMSMLNWVKF-SJLPKXTDSA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001071898356 1355013728 /nfs/dbraw/zinc/01/37/28/1355013728.db2.gz ZKTXURUKVANQMD-MAUKXSAKSA-N 2 2 349.906 3.083 20 30 EGEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001071898356 1355013733 /nfs/dbraw/zinc/01/37/33/1355013733.db2.gz ZKTXURUKVANQMD-MAUKXSAKSA-N 2 2 349.906 3.083 20 30 EGEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1C ZINC001072099709 1355129806 /nfs/dbraw/zinc/12/98/06/1355129806.db2.gz WIXSKLZMMYRNRS-RDJZCZTQSA-N 2 2 349.906 3.083 20 30 EGEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1C ZINC001072099709 1355129807 /nfs/dbraw/zinc/12/98/07/1355129807.db2.gz WIXSKLZMMYRNRS-RDJZCZTQSA-N 2 2 349.906 3.083 20 30 EGEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1CC ZINC001087675835 1359584923 /nfs/dbraw/zinc/58/49/23/1359584923.db2.gz FZRLWQLRGMYUGL-RBUKOAKNSA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1CC ZINC001087675835 1359584926 /nfs/dbraw/zinc/58/49/26/1359584926.db2.gz FZRLWQLRGMYUGL-RBUKOAKNSA-N 2 2 338.455 3.031 20 30 EGEDLP CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001184532473 1387485751 /nfs/dbraw/zinc/48/57/51/1387485751.db2.gz AAKGKCKVXYGADQ-ROUUACIJSA-N 2 2 348.535 3.387 20 30 EGEDLP CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001184532473 1387485753 /nfs/dbraw/zinc/48/57/53/1387485753.db2.gz AAKGKCKVXYGADQ-ROUUACIJSA-N 2 2 348.535 3.387 20 30 EGEDLP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001184654280 1387504408 /nfs/dbraw/zinc/50/44/08/1387504408.db2.gz VQTVNBSFUGDBFG-GXTWGEPZSA-N 2 2 346.862 3.003 20 30 EGEDLP CCCCCCC[NH2+]C1CC(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001100663365 1364209085 /nfs/dbraw/zinc/20/90/85/1364209085.db2.gz POTFKQPZZIVEQN-JCYILVPMSA-N 2 2 346.519 3.284 20 30 EGEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001102088047 1364848229 /nfs/dbraw/zinc/84/82/29/1364848229.db2.gz JQDGEPLLSJMLEL-BFYDXBDKSA-N 2 2 340.471 3.215 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001102088047 1364848232 /nfs/dbraw/zinc/84/82/32/1364848232.db2.gz JQDGEPLLSJMLEL-BFYDXBDKSA-N 2 2 340.471 3.215 20 30 EGEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001106710300 1366777727 /nfs/dbraw/zinc/77/77/27/1366777727.db2.gz FPIICRWMGXGBER-CEXWTWQISA-N 2 2 346.519 3.265 20 30 EGEDLP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561048 1367044229 /nfs/dbraw/zinc/04/42/29/1367044229.db2.gz BJDDDOLRZNWVMQ-NLWGTHIKSA-N 2 2 344.503 3.161 20 30 EGEDLP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561048 1367044233 /nfs/dbraw/zinc/04/42/33/1367044233.db2.gz BJDDDOLRZNWVMQ-NLWGTHIKSA-N 2 2 344.503 3.161 20 30 EGEDLP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001108711481 1367549333 /nfs/dbraw/zinc/54/93/33/1367549333.db2.gz JXUCZNMWUZZFNH-UAGQMJEPSA-N 2 2 338.455 3.112 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH+]c2)C1 ZINC001111826299 1368485666 /nfs/dbraw/zinc/48/56/66/1368485666.db2.gz AUBVIZCPCXGYHH-ICSRJNTNSA-N 2 2 346.519 3.214 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH+]c2)C1 ZINC001111826299 1368485669 /nfs/dbraw/zinc/48/56/69/1368485669.db2.gz AUBVIZCPCXGYHH-ICSRJNTNSA-N 2 2 346.519 3.214 20 30 EGEDLP CCCCCCC[NH+]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001113005377 1369131671 /nfs/dbraw/zinc/13/16/71/1369131671.db2.gz LNOZXJZTPMVBND-UHFFFAOYSA-N 2 2 334.508 3.041 20 30 EGEDLP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001201261010 1369506364 /nfs/dbraw/zinc/50/63/64/1369506364.db2.gz VTNYPJSJPMWNIJ-AWEZNQCLSA-N 2 2 326.444 3.112 20 30 EGEDLP CCCCCCC[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001201776790 1369622920 /nfs/dbraw/zinc/62/29/20/1369622920.db2.gz LLIYKNMPZPDNQF-UHFFFAOYSA-N 2 2 333.524 3.093 20 30 EGEDLP CCCCCCC[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001201776790 1369622924 /nfs/dbraw/zinc/62/29/24/1369622924.db2.gz LLIYKNMPZPDNQF-UHFFFAOYSA-N 2 2 333.524 3.093 20 30 EGEDLP CCCCCCC[NH2+]C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001202699222 1369856493 /nfs/dbraw/zinc/85/64/93/1369856493.db2.gz IMJUSQVXZOPDGM-KRWDZBQOSA-N 2 2 334.508 3.385 20 30 EGEDLP CCCCCCC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCCCC1 ZINC001120248562 1371513657 /nfs/dbraw/zinc/51/36/57/1371513657.db2.gz FFBHTGOFZPJKOT-UHFFFAOYSA-N 2 2 334.508 3.262 20 30 EGEDLP N#Cc1ccnc(-c2ccc(C[N@@H+]3CCCC[C@]34CC[NH2+]C4)cc2)c1 ZINC001235114186 1376846528 /nfs/dbraw/zinc/84/65/28/1376846528.db2.gz AWKWQYWZRGPRSK-OAQYLSRUSA-N 2 2 332.451 3.338 20 30 EGEDLP N#Cc1ccnc(-c2ccc(C[N@H+]3CCCC[C@]34CC[NH2+]C4)cc2)c1 ZINC001235114186 1376846536 /nfs/dbraw/zinc/84/65/36/1376846536.db2.gz AWKWQYWZRGPRSK-OAQYLSRUSA-N 2 2 332.451 3.338 20 30 EGEDLP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135098324 1376896459 /nfs/dbraw/zinc/89/64/59/1376896459.db2.gz WRQYHXURMKRGIB-DLBZAZTESA-N 2 2 340.471 3.325 20 30 EGEDLP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001135679559 1377181890 /nfs/dbraw/zinc/18/18/90/1377181890.db2.gz NPHXGNGPLSCCRJ-IAGOWNOFSA-N 2 2 342.487 3.024 20 30 EGEDLP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001153361958 1380063558 /nfs/dbraw/zinc/06/35/58/1380063558.db2.gz IYZVPAVYFXJMME-OAHLLOKOSA-N 2 2 328.460 3.049 20 30 EGEDLP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001153361958 1380063561 /nfs/dbraw/zinc/06/35/61/1380063561.db2.gz IYZVPAVYFXJMME-OAHLLOKOSA-N 2 2 328.460 3.049 20 30 EGEDLP C=CCCC[N@H+]1CC=C(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001160491627 1382120532 /nfs/dbraw/zinc/12/05/32/1382120532.db2.gz HJOJXMJYVKFEEY-UHFFFAOYSA-N 2 2 338.455 3.281 20 30 EGEDLP C=CCCC[N@@H+]1CC=C(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001160491627 1382120534 /nfs/dbraw/zinc/12/05/34/1382120534.db2.gz HJOJXMJYVKFEEY-UHFFFAOYSA-N 2 2 338.455 3.281 20 30 EGEDLP CCCCCCC[N@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001160821164 1382208583 /nfs/dbraw/zinc/20/85/83/1382208583.db2.gz AUBVPYSYRZUVQI-UHFFFAOYSA-N 2 2 346.519 3.382 20 30 EGEDLP CCCCCCC[N@@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001160821164 1382208585 /nfs/dbraw/zinc/20/85/85/1382208585.db2.gz AUBVPYSYRZUVQI-UHFFFAOYSA-N 2 2 346.519 3.382 20 30 EGEDLP CCCCCCC[N@H+]1CC=C(CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001161704685 1382485349 /nfs/dbraw/zinc/48/53/49/1382485349.db2.gz FZNNBJRAVIHTFG-UHFFFAOYSA-N 2 2 346.519 3.071 20 30 EGEDLP CCCCCCC[N@@H+]1CC=C(CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001161704685 1382485353 /nfs/dbraw/zinc/48/53/53/1382485353.db2.gz FZNNBJRAVIHTFG-UHFFFAOYSA-N 2 2 346.519 3.071 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CCCC[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001176810841 1385710100 /nfs/dbraw/zinc/71/01/00/1385710100.db2.gz QQWPCSHKOHKUSM-MSOLQXFVSA-N 2 2 334.508 3.283 20 30 EGEDLP C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)CCn1cc[nH+]c1 ZINC001177378656 1385935594 /nfs/dbraw/zinc/93/55/94/1385935594.db2.gz IKJJIJIENLKHHF-UHFFFAOYSA-N 2 2 346.519 3.238 20 30 EGEDLP COc1ccc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)cc1C#N ZINC001319823518 1386319153 /nfs/dbraw/zinc/31/91/53/1386319153.db2.gz OFMFTZRUGGCFNC-SFHVURJKSA-N 2 2 336.439 3.347 20 30 EGEDLP COc1ccc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)cc1C#N ZINC001319823518 1386319155 /nfs/dbraw/zinc/31/91/55/1386319155.db2.gz OFMFTZRUGGCFNC-SFHVURJKSA-N 2 2 336.439 3.347 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001179561013 1386514586 /nfs/dbraw/zinc/51/45/86/1386514586.db2.gz HHUGCFJQCQOPFR-SJORKVTESA-N 2 2 346.519 3.451 20 30 EGEDLP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001342754947 1390650193 /nfs/dbraw/zinc/65/01/93/1390650193.db2.gz NFTFLHOATYNHEY-CVEARBPZSA-N 2 2 332.492 3.028 20 30 EGEDLP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001715456910 1420137904 /nfs/dbraw/zinc/13/79/04/1420137904.db2.gz LSINXSNSFJFWMJ-KGLIPLIRSA-N 2 2 346.862 3.146 20 30 EGEDLP C=CCCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001752835810 1440227860 /nfs/dbraw/zinc/22/78/60/1440227860.db2.gz IAYAZRSWLNOSHO-IAGOWNOFSA-N 2 2 340.471 3.131 20 30 EGEDLP C=CCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001752835810 1440227861 /nfs/dbraw/zinc/22/78/61/1440227861.db2.gz IAYAZRSWLNOSHO-IAGOWNOFSA-N 2 2 340.471 3.131 20 30 EGEDLP C=CCCC[N@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001755023761 1440727802 /nfs/dbraw/zinc/72/78/02/1440727802.db2.gz MVIWASKWNSVUMC-SFHVURJKSA-N 2 2 340.471 3.193 20 30 EGEDLP C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001755023761 1440727803 /nfs/dbraw/zinc/72/78/03/1440727803.db2.gz MVIWASKWNSVUMC-SFHVURJKSA-N 2 2 340.471 3.193 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCOCc3ccccc3)CC2)cc1 ZINC000181849458 234349535 /nfs/dbraw/zinc/34/95/35/234349535.db2.gz ZQCLVQHNELMIQU-UHFFFAOYSA-N 2 2 349.478 3.329 20 30 EGEDLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc(C#N)c1 ZINC000191831380 239325945 /nfs/dbraw/zinc/32/59/45/239325945.db2.gz CNBWTRPQTZUAQT-AVRDEDQJSA-N 2 2 349.478 3.500 20 30 EGEDLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc(C#N)c1 ZINC000191831380 239325948 /nfs/dbraw/zinc/32/59/48/239325948.db2.gz CNBWTRPQTZUAQT-AVRDEDQJSA-N 2 2 349.478 3.500 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCO[C@@H](C4CC4)C3)CC2)cc1 ZINC000155116725 224361741 /nfs/dbraw/zinc/36/17/41/224361741.db2.gz PCQWJTDVCGUTFU-NHCUHLMSSA-N 2 2 339.483 3.070 20 30 EGEDLP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)ccc1C#N ZINC000310736410 154144402 /nfs/dbraw/zinc/14/44/02/154144402.db2.gz DTPNEZKHAMQYMI-OXQOHEQNSA-N 2 2 335.451 3.319 20 30 EGEDLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)ccc1C#N ZINC000310736410 154144404 /nfs/dbraw/zinc/14/44/04/154144404.db2.gz DTPNEZKHAMQYMI-OXQOHEQNSA-N 2 2 335.451 3.319 20 30 EGEDLP Cc1cc(N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nc(C(C)C)[nH+]1 ZINC000471743893 270055316 /nfs/dbraw/zinc/05/53/16/270055316.db2.gz AECYZYGOLIMHNR-UHFFFAOYSA-N 2 2 337.471 3.348 20 30 EGEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H](C)c3ccc(C#N)cc3)c2cc1C ZINC000298750194 267367748 /nfs/dbraw/zinc/36/77/48/267367748.db2.gz VVCNWRNXFONDMP-LPHOPBHVSA-N 2 2 348.450 3.237 20 30 EGEDLP N#CCCC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000352480472 457401626 /nfs/dbraw/zinc/40/16/26/457401626.db2.gz CLYKIKLMNIQEBX-UHFFFAOYSA-N 2 2 337.221 3.045 20 30 EGEDLP N#CCCC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000352480472 457401630 /nfs/dbraw/zinc/40/16/30/457401630.db2.gz CLYKIKLMNIQEBX-UHFFFAOYSA-N 2 2 337.221 3.045 20 30 EGEDLP C=CCOc1ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000069710685 454136511 /nfs/dbraw/zinc/13/65/11/454136511.db2.gz XPLLALBDDOTHOY-UHFFFAOYSA-N 2 2 337.467 3.401 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2sc(CCOC)nc2C)CC1 ZINC000092747002 454623519 /nfs/dbraw/zinc/62/35/19/454623519.db2.gz PZCQGQYXPQNVRH-CQSZACIVSA-N 2 2 337.533 3.332 20 30 EGEDLP C#CC[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CCc2ccccc21 ZINC000177256565 454843139 /nfs/dbraw/zinc/84/31/39/454843139.db2.gz CPZBXLACOOFRHY-HXUWFJFHSA-N 2 2 328.419 3.390 20 30 EGEDLP C#CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CCc2ccccc21 ZINC000177256565 454843142 /nfs/dbraw/zinc/84/31/42/454843142.db2.gz CPZBXLACOOFRHY-HXUWFJFHSA-N 2 2 328.419 3.390 20 30 EGEDLP CC1(C)C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000126058471 454867223 /nfs/dbraw/zinc/86/72/23/454867223.db2.gz PWXNLIUBXHDMQJ-IBGZPJMESA-N 2 2 327.472 3.070 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(OC)ccc2OC(F)F)CC1 ZINC000112710289 454897135 /nfs/dbraw/zinc/89/71/35/454897135.db2.gz PEDVMIDFMOSYBH-UHFFFAOYSA-N 2 2 340.414 3.427 20 30 EGEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(F)c1 ZINC000151142608 454944188 /nfs/dbraw/zinc/94/41/88/454944188.db2.gz NNTCMKLRIZGJDA-UHFFFAOYSA-N 2 2 337.442 3.494 20 30 EGEDLP CCCCCCCCNC(=[NH2+])NCc1cccnc1-n1cc[nH+]c1 ZINC000170912369 454998272 /nfs/dbraw/zinc/99/82/72/454998272.db2.gz BDMCHNJDKOUAOY-UHFFFAOYSA-N 2 2 328.464 3.032 20 30 EGEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000156449566 455119388 /nfs/dbraw/zinc/11/93/88/455119388.db2.gz LLPRHIMDKIQQNC-HNAYVOBHSA-N 2 2 340.471 3.253 20 30 EGEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000156449566 455119391 /nfs/dbraw/zinc/11/93/91/455119391.db2.gz LLPRHIMDKIQQNC-HNAYVOBHSA-N 2 2 340.471 3.253 20 30 EGEDLP C=C(C)COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1OC ZINC000237316810 455172764 /nfs/dbraw/zinc/17/27/64/455172764.db2.gz NZZQJTVBTOQMMR-MSOLQXFVSA-N 2 2 330.472 3.367 20 30 EGEDLP C=C(C)COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)ccc1OC ZINC000237316810 455172769 /nfs/dbraw/zinc/17/27/69/455172769.db2.gz NZZQJTVBTOQMMR-MSOLQXFVSA-N 2 2 330.472 3.367 20 30 EGEDLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H]3CCC[C@@H](C#N)C3)CC2)c1 ZINC000185766084 455618742 /nfs/dbraw/zinc/61/87/42/455618742.db2.gz XKCIBOWVCIFPCI-UXHICEINSA-N 2 2 340.515 3.179 20 30 EGEDLP C[NH+](C)C1CCN(c2ccc(NCC(C)(C)CCC#N)[nH+]c2)CC1 ZINC000269165729 455802486 /nfs/dbraw/zinc/80/24/86/455802486.db2.gz WRMJKBUKXAYKNU-UHFFFAOYSA-N 2 2 329.492 3.354 20 30 EGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277116975 456686992 /nfs/dbraw/zinc/68/69/92/456686992.db2.gz HNMRAMYCXUDGBE-DLBZAZTESA-N 2 2 349.544 3.067 20 30 EGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277116975 456686999 /nfs/dbraw/zinc/68/69/99/456686999.db2.gz HNMRAMYCXUDGBE-DLBZAZTESA-N 2 2 349.544 3.067 20 30 EGEDLP N#Cc1ccccc1COc1cccc(C[N@@H+]2C[C@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000353678203 456849752 /nfs/dbraw/zinc/84/97/52/456849752.db2.gz CXNJKGHCMSKVOC-DENIHFKCSA-N 2 2 347.462 3.321 20 30 EGEDLP N#Cc1ccccc1COc1cccc(C[N@H+]2C[C@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000353678203 456849757 /nfs/dbraw/zinc/84/97/57/456849757.db2.gz CXNJKGHCMSKVOC-DENIHFKCSA-N 2 2 347.462 3.321 20 30 EGEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000330255593 457014083 /nfs/dbraw/zinc/01/40/83/457014083.db2.gz BHPDNBBNXWMYNL-SJORKVTESA-N 2 2 347.507 3.076 20 30 EGEDLP COc1cc(C[NH2+]CC(C)(C)[N@@H+]2CCc3ccccc3C2)ccc1C#N ZINC000440804803 458855469 /nfs/dbraw/zinc/85/54/69/458855469.db2.gz FIVBGGSLOQQMQE-UHFFFAOYSA-N 2 2 349.478 3.493 20 30 EGEDLP COc1cc(C[NH2+]CC(C)(C)[N@H+]2CCc3ccccc3C2)ccc1C#N ZINC000440804803 458855472 /nfs/dbraw/zinc/85/54/72/458855472.db2.gz FIVBGGSLOQQMQE-UHFFFAOYSA-N 2 2 349.478 3.493 20 30 EGEDLP CO[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCCC1 ZINC000594993039 459209103 /nfs/dbraw/zinc/20/91/03/459209103.db2.gz CEPUQYGQZMOJTE-NRFANRHFSA-N 2 2 341.499 3.317 20 30 EGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000602530248 459985279 /nfs/dbraw/zinc/98/52/79/459985279.db2.gz PDZCKQARACXXIK-OAHLLOKOSA-N 2 2 326.444 3.184 20 30 EGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000602569215 460001057 /nfs/dbraw/zinc/00/10/57/460001057.db2.gz PIDBLLJUPUZSFB-WSTZPKSXSA-N 2 2 341.499 3.338 20 30 EGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000602569215 460001063 /nfs/dbraw/zinc/00/10/63/460001063.db2.gz PIDBLLJUPUZSFB-WSTZPKSXSA-N 2 2 341.499 3.338 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(OC)c(OC)cc2Cl)CC1 ZINC000631063882 461514587 /nfs/dbraw/zinc/51/45/87/461514587.db2.gz HGDLRAMUMSVQPP-UHFFFAOYSA-N 2 2 338.879 3.487 20 30 EGEDLP CCc1ccc([C@@H](CNC(=[NH2+])Nc2ccc(OC)cc2)[NH+](C)C)cc1 ZINC000104155484 1293018526 /nfs/dbraw/zinc/01/85/26/1293018526.db2.gz FTNZYTTVXMZJOU-LJQANCHMSA-N 2 2 340.471 3.287 20 30 EGEDLP C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000237599912 1296252802 /nfs/dbraw/zinc/25/28/02/1296252802.db2.gz AAZSCMOQZRZHQF-MRXNPFEDSA-N 2 2 332.407 3.453 20 30 EGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC000756119171 1300442252 /nfs/dbraw/zinc/44/22/52/1300442252.db2.gz LNESYRNTCPKGSX-UHFFFAOYSA-N 2 2 346.475 3.169 20 30 EGEDLP CN(C)c1cc[nH+]cc1C=[NH+]Nc1ccc(F)cc1Br ZINC000776186733 1304108157 /nfs/dbraw/zinc/10/81/57/1304108157.db2.gz YGNQFJWZSHPFLY-UHFFFAOYSA-N 2 2 337.196 3.495 20 30 EGEDLP C#CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000817276291 1319309870 /nfs/dbraw/zinc/30/98/70/1319309870.db2.gz XODOEBPQRTVFIP-JOCHJYFZSA-N 2 2 334.463 3.373 20 30 EGEDLP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001024440249 1323401095 /nfs/dbraw/zinc/40/10/95/1323401095.db2.gz MERUPGSFDIVVDF-GOSISDBHSA-N 2 2 340.471 3.193 20 30 EGEDLP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001024440249 1323401101 /nfs/dbraw/zinc/40/11/01/1323401101.db2.gz MERUPGSFDIVVDF-GOSISDBHSA-N 2 2 340.471 3.193 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025254496 1324061390 /nfs/dbraw/zinc/06/13/90/1324061390.db2.gz JXRLDUAPXJQNEL-OALUTQOASA-N 2 2 344.503 3.085 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025254496 1324061396 /nfs/dbraw/zinc/06/13/96/1324061396.db2.gz JXRLDUAPXJQNEL-OALUTQOASA-N 2 2 344.503 3.085 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC[C@H](O)C3CCCC3)CC2)cc1 ZINC000865875909 1329747884 /nfs/dbraw/zinc/74/78/84/1329747884.db2.gz GUSLWNOCSBIGHY-NRFANRHFSA-N 2 2 341.499 3.053 20 30 EGEDLP C=CCC[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000947878188 1333288771 /nfs/dbraw/zinc/28/87/71/1333288771.db2.gz LVCCWPNXEVRCLI-AEFFLSMTSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000947878188 1333288776 /nfs/dbraw/zinc/28/87/76/1333288776.db2.gz LVCCWPNXEVRCLI-AEFFLSMTSA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(C)C[NH+]1CCC(C)(NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001045605927 1346643449 /nfs/dbraw/zinc/64/34/49/1346643449.db2.gz KZQBYLMFSMCSME-UHFFFAOYSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001054204841 1349206453 /nfs/dbraw/zinc/20/64/53/1349206453.db2.gz FGSSNSILRMIIHM-UYAOXDASSA-N 2 2 344.503 3.115 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001054204841 1349206455 /nfs/dbraw/zinc/20/64/55/1349206455.db2.gz FGSSNSILRMIIHM-UYAOXDASSA-N 2 2 344.503 3.115 20 30 EGEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC001072095059 1355126679 /nfs/dbraw/zinc/12/66/79/1355126679.db2.gz FWPDEMIJDBLSQS-CRAIPNDOSA-N 2 2 349.906 3.083 20 30 EGEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC001072095059 1355126680 /nfs/dbraw/zinc/12/66/80/1355126680.db2.gz FWPDEMIJDBLSQS-CRAIPNDOSA-N 2 2 349.906 3.083 20 30 EGEDLP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001183497260 1387313635 /nfs/dbraw/zinc/31/36/35/1387313635.db2.gz UETVLMACQQRNLP-MOPGFXCFSA-N 2 2 346.519 3.407 20 30 EGEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC(C)(C)C1 ZINC001089442794 1360432554 /nfs/dbraw/zinc/43/25/54/1360432554.db2.gz UGTISCAHKUTUTK-INIZCTEOSA-N 2 2 340.471 3.131 20 30 EGEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC(C)(C)C1 ZINC001089442794 1360432556 /nfs/dbraw/zinc/43/25/56/1360432556.db2.gz UGTISCAHKUTUTK-INIZCTEOSA-N 2 2 340.471 3.131 20 30 EGEDLP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001184651791 1387503256 /nfs/dbraw/zinc/50/32/56/1387503256.db2.gz INHOHXDICYFTLP-HOTGVXAUSA-N 2 2 340.471 3.217 20 30 EGEDLP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001184851413 1387549099 /nfs/dbraw/zinc/54/90/99/1387549099.db2.gz NCDYYGIUWQJNSP-YJBOKZPZSA-N 2 2 329.488 3.271 20 30 EGEDLP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001185573884 1387753161 /nfs/dbraw/zinc/75/31/61/1387753161.db2.gz OKRDBPNWJHVISI-AEFFLSMTSA-N 2 2 346.519 3.081 20 30 EGEDLP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001104327668 1365980200 /nfs/dbraw/zinc/98/02/00/1365980200.db2.gz ZYOSQTQSMHAHKZ-QRVBRYPASA-N 2 2 346.519 3.121 20 30 EGEDLP C=C(C)CC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)CCC1 ZINC001105566025 1366534266 /nfs/dbraw/zinc/53/42/66/1366534266.db2.gz DWZVSTMWPNPALW-SFHVURJKSA-N 2 2 344.503 3.059 20 30 EGEDLP C=CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)Cc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107588409 1367059181 /nfs/dbraw/zinc/05/91/81/1367059181.db2.gz KQBVIHQLDGCDSH-YLJYHZDGSA-N 2 2 344.503 3.059 20 30 EGEDLP C=CCCCCC[N@H+]1CC[C@@]2(CNC(=O)Cc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107588409 1367059185 /nfs/dbraw/zinc/05/91/85/1367059185.db2.gz KQBVIHQLDGCDSH-YLJYHZDGSA-N 2 2 344.503 3.059 20 30 EGEDLP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH+]cn1C)C2 ZINC001110050929 1367483593 /nfs/dbraw/zinc/48/35/93/1367483593.db2.gz DXZPLAUIWWFNJP-NEWSRXKRSA-N 2 2 346.519 3.045 20 30 EGEDLP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH+]cn1C)C2 ZINC001110050929 1367483597 /nfs/dbraw/zinc/48/35/97/1367483597.db2.gz DXZPLAUIWWFNJP-NEWSRXKRSA-N 2 2 346.519 3.045 20 30 EGEDLP C=CCCC[NH2+]C1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001201182834 1369491529 /nfs/dbraw/zinc/49/15/29/1369491529.db2.gz OJDGDKNLTNIUNY-GOSISDBHSA-N 2 2 332.492 3.017 20 30 EGEDLP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C12CCC2 ZINC001203077500 1369974831 /nfs/dbraw/zinc/97/48/31/1369974831.db2.gz FCDCMUWLHBSAEP-ROUUACIJSA-N 2 2 338.455 3.160 20 30 EGEDLP C[NH+]1CCN(c2ccc(C[N@H+](CCC#N)CC(C)(C)C)cc2F)CC1 ZINC001116444331 1370913267 /nfs/dbraw/zinc/91/32/67/1370913267.db2.gz YZQQCSWBEDTJAU-UHFFFAOYSA-N 2 2 346.494 3.339 20 30 EGEDLP C[NH+]1CCN(c2ccc(C[N@@H+](CCC#N)CC(C)(C)C)cc2F)CC1 ZINC001116444331 1370913273 /nfs/dbraw/zinc/91/32/73/1370913273.db2.gz YZQQCSWBEDTJAU-UHFFFAOYSA-N 2 2 346.494 3.339 20 30 EGEDLP C=CCCCCC[NH2+]CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001206428051 1371051406 /nfs/dbraw/zinc/05/14/06/1371051406.db2.gz SOVATUWRBLFRQE-GOSISDBHSA-N 2 2 346.519 3.409 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001206427558 1371051593 /nfs/dbraw/zinc/05/15/93/1371051593.db2.gz IXSXRDKWQPIJHA-IAGOWNOFSA-N 2 2 332.492 3.017 20 30 EGEDLP C=CCCCCC[NH2+]CC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001206533476 1371086591 /nfs/dbraw/zinc/08/65/91/1371086591.db2.gz KQUAOIIIBSBVTJ-QGZVFWFLSA-N 2 2 346.519 3.163 20 30 EGEDLP C=CCCCCC[NH2+]CC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001206533476 1371086597 /nfs/dbraw/zinc/08/65/97/1371086597.db2.gz KQUAOIIIBSBVTJ-QGZVFWFLSA-N 2 2 346.519 3.163 20 30 EGEDLP C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001208420036 1371761030 /nfs/dbraw/zinc/76/10/30/1371761030.db2.gz GTZJQLDHVLEPRR-HOCLYGCPSA-N 2 2 326.444 3.112 20 30 EGEDLP C=CCC[NH2+]C1CC2(CC(NC(=O)c3c(C)cc(C)[nH+]c3C)C2)C1 ZINC001121444273 1371976806 /nfs/dbraw/zinc/97/68/06/1371976806.db2.gz XUNYZOWEUSBZCP-UHFFFAOYSA-N 2 2 327.472 3.214 20 30 EGEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132874427 1375614898 /nfs/dbraw/zinc/61/48/98/1375614898.db2.gz HYZUOHZXHIGVOY-QZTJIDSGSA-N 2 2 346.519 3.163 20 30 EGEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132874427 1375614906 /nfs/dbraw/zinc/61/49/06/1375614906.db2.gz HYZUOHZXHIGVOY-QZTJIDSGSA-N 2 2 346.519 3.163 20 30 EGEDLP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132875179 1375616517 /nfs/dbraw/zinc/61/65/17/1375616517.db2.gz UNZINSDCDUDXRN-QZTJIDSGSA-N 2 2 348.535 3.387 20 30 EGEDLP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132875179 1375616522 /nfs/dbraw/zinc/61/65/22/1375616522.db2.gz UNZINSDCDUDXRN-QZTJIDSGSA-N 2 2 348.535 3.387 20 30 EGEDLP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001132921209 1375646328 /nfs/dbraw/zinc/64/63/28/1375646328.db2.gz XUHCVSKLBRQTRC-RDJZCZTQSA-N 2 2 340.471 3.217 20 30 EGEDLP N#CCC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CCCC1 ZINC001139058733 1377823425 /nfs/dbraw/zinc/82/34/25/1377823425.db2.gz ZXKMJBUGKPEJEX-UHFFFAOYSA-N 2 2 327.472 3.177 20 30 EGEDLP N#CCC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CCCC1 ZINC001139058733 1377823427 /nfs/dbraw/zinc/82/34/27/1377823427.db2.gz ZXKMJBUGKPEJEX-UHFFFAOYSA-N 2 2 327.472 3.177 20 30 EGEDLP C=CCn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001139771243 1377948682 /nfs/dbraw/zinc/94/86/82/1377948682.db2.gz UJEOWFADBMFQDK-RTWAWAEBSA-N 2 2 336.483 3.023 20 30 EGEDLP C=CCn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001139771243 1377948686 /nfs/dbraw/zinc/94/86/86/1377948686.db2.gz UJEOWFADBMFQDK-RTWAWAEBSA-N 2 2 336.483 3.023 20 30 EGEDLP C=CCn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001139771243 1377948689 /nfs/dbraw/zinc/94/86/89/1377948689.db2.gz UJEOWFADBMFQDK-RTWAWAEBSA-N 2 2 336.483 3.023 20 30 EGEDLP C=CCn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001139771243 1377948694 /nfs/dbraw/zinc/94/86/94/1377948694.db2.gz UJEOWFADBMFQDK-RTWAWAEBSA-N 2 2 336.483 3.023 20 30 EGEDLP N#Cc1ccccc1OC1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140804843 1378144867 /nfs/dbraw/zinc/14/48/67/1378144867.db2.gz HUJCGOFAJVGHRH-UHFFFAOYSA-N 2 2 332.407 3.478 20 30 EGEDLP N#Cc1ccc2c(C[NH+]3CCC([NH+]4CCC(F)CC4)CC3)c[nH]c2c1 ZINC001142922744 1378509945 /nfs/dbraw/zinc/50/99/45/1378509945.db2.gz TUCVAJVWXZHZJT-UHFFFAOYSA-N 2 2 340.446 3.438 20 30 EGEDLP CCCCCCC[NH2+]CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001158062443 1381118398 /nfs/dbraw/zinc/11/83/98/1381118398.db2.gz WXPNRBOKJHEFIO-UHFFFAOYSA-N 2 2 330.476 3.323 20 30 EGEDLP C=CCCCCC[NH2+]CC1(CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001167422169 1383629557 /nfs/dbraw/zinc/62/95/57/1383629557.db2.gz IZNMDOUHGLLLHO-KRWDZBQOSA-N 2 2 346.519 3.211 20 30 EGEDLP C=CCCCCC[NH2+]CC1(CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001167422169 1383629560 /nfs/dbraw/zinc/62/95/60/1383629560.db2.gz IZNMDOUHGLLLHO-KRWDZBQOSA-N 2 2 346.519 3.211 20 30 EGEDLP C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170482558 1384328037 /nfs/dbraw/zinc/32/80/37/1384328037.db2.gz FUKBZLSIZBRKIU-QGZVFWFLSA-N 2 2 334.508 3.353 20 30 EGEDLP COc1ccccc1C1([NH3+])CC[NH+]([C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171194216 1384465294 /nfs/dbraw/zinc/46/52/94/1384465294.db2.gz HUKHLODFUBGAQQ-QGZVFWFLSA-N 2 2 349.478 3.448 20 30 EGEDLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173331720 1384960208 /nfs/dbraw/zinc/96/02/08/1384960208.db2.gz FSDJIJAVHMDDGA-NLDTVIPQSA-N 2 2 341.499 3.338 20 30 EGEDLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173331720 1384960209 /nfs/dbraw/zinc/96/02/09/1384960209.db2.gz FSDJIJAVHMDDGA-NLDTVIPQSA-N 2 2 341.499 3.338 20 30 EGEDLP CCCCCCC[NH2+]CCCC[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001176351026 1385559856 /nfs/dbraw/zinc/55/98/56/1385559856.db2.gz OWWWKHKKKHLCGO-INIZCTEOSA-N 2 2 336.524 3.496 20 30 EGEDLP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001177466709 1385966673 /nfs/dbraw/zinc/96/66/73/1385966673.db2.gz CGGXYAOWHLVAEO-UHFFFAOYSA-N 2 2 346.519 3.262 20 30 EGEDLP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001178703681 1386284500 /nfs/dbraw/zinc/28/45/00/1386284500.db2.gz CHOVIUIRTZUMSW-HFTRVMKXSA-N 2 2 340.471 3.190 20 30 EGEDLP C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001178770498 1386298170 /nfs/dbraw/zinc/29/81/70/1386298170.db2.gz KTFHTMYMAWUUSC-GOSISDBHSA-N 2 2 334.508 3.313 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001179561012 1386514579 /nfs/dbraw/zinc/51/45/79/1386514579.db2.gz HHUGCFJQCQOPFR-IRXDYDNUSA-N 2 2 346.519 3.451 20 30 EGEDLP COc1cc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)ccc1C#N ZINC001321219332 1386845014 /nfs/dbraw/zinc/84/50/14/1386845014.db2.gz CPFMMNGIINZKPX-SFHVURJKSA-N 2 2 336.439 3.347 20 30 EGEDLP COc1cc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)ccc1C#N ZINC001321219332 1386845021 /nfs/dbraw/zinc/84/50/21/1386845021.db2.gz CPFMMNGIINZKPX-SFHVURJKSA-N 2 2 336.439 3.347 20 30 EGEDLP Cc1ccc([C@@H](O)C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC001335413104 1390681416 /nfs/dbraw/zinc/68/14/16/1390681416.db2.gz MNEJHVBVRCTDIG-QFIPXVFZSA-N 2 2 349.478 3.154 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001752567590 1440195608 /nfs/dbraw/zinc/19/56/08/1440195608.db2.gz UFFSQMCNOOECSF-YTQUADARSA-N 2 2 344.503 3.010 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001752567590 1440195609 /nfs/dbraw/zinc/19/56/09/1440195609.db2.gz UFFSQMCNOOECSF-YTQUADARSA-N 2 2 344.503 3.010 20 30 EGEDLP C=CCC[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001752830879 1440225293 /nfs/dbraw/zinc/22/52/93/1440225293.db2.gz KKVNIAUECHXHOH-JKSUJKDBSA-N 2 2 332.492 3.013 20 30 EGEDLP C=CCCC[NH2+]C[C@](C)(NC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001753519148 1440428130 /nfs/dbraw/zinc/42/81/30/1440428130.db2.gz XPPJFIBUCQNCOQ-FQEVSTJZSA-N 2 2 340.471 3.097 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001753690434 1440466342 /nfs/dbraw/zinc/46/63/42/1440466342.db2.gz WIMJQDZFCYOSOQ-HUUCEWRRSA-N 2 2 328.460 3.048 20 30 EGEDLP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001755194312 1440776008 /nfs/dbraw/zinc/77/60/08/1440776008.db2.gz RXZTYICFCVEZJC-IRXDYDNUSA-N 2 2 340.471 3.225 20 30 EGEDLP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001755194312 1440776009 /nfs/dbraw/zinc/77/60/09/1440776009.db2.gz RXZTYICFCVEZJC-IRXDYDNUSA-N 2 2 340.471 3.225 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](CO)CC3CCCC3)CC2)cc1 ZINC000338025705 141076130 /nfs/dbraw/zinc/07/61/30/141076130.db2.gz YJGNYVXRGGPNIG-NRFANRHFSA-N 2 2 341.499 3.053 20 30 EGEDLP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)ccc1C#N ZINC000310736411 154144850 /nfs/dbraw/zinc/14/48/50/154144850.db2.gz DTPNEZKHAMQYMI-UZLBHIALSA-N 2 2 335.451 3.319 20 30 EGEDLP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)ccc1C#N ZINC000310736411 154144852 /nfs/dbraw/zinc/14/48/52/154144852.db2.gz DTPNEZKHAMQYMI-UZLBHIALSA-N 2 2 335.451 3.319 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCCCS3)CC2)cc1 ZINC000346294135 164364969 /nfs/dbraw/zinc/36/49/69/164364969.db2.gz KCYIITKHYZBTJQ-IBGZPJMESA-N 2 2 329.513 3.398 20 30 EGEDLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459408185 267060279 /nfs/dbraw/zinc/06/02/79/267060279.db2.gz MTWCXEYORSJRCR-AEFFLSMTSA-N 2 2 344.459 3.457 20 30 EGEDLP C[N@H+](Cc1cccc(C#N)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000488402319 267319404 /nfs/dbraw/zinc/31/94/04/267319404.db2.gz WCTGLBRXMNEAGK-UHFFFAOYSA-N 2 2 325.378 3.407 20 30 EGEDLP C[N@@H+](Cc1cccc(C#N)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000488402319 267319406 /nfs/dbraw/zinc/31/94/06/267319406.db2.gz WCTGLBRXMNEAGK-UHFFFAOYSA-N 2 2 325.378 3.407 20 30 EGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000237323417 455173610 /nfs/dbraw/zinc/17/36/10/455173610.db2.gz YSXOLVTZLFXNBN-UHFFFAOYSA-N 2 2 343.471 3.118 20 30 EGEDLP C#CC[NH+]1CCC(C(=O)Nc2ccc3[nH]c(C(C)(C)C)[nH+]c3c2)CC1 ZINC000194046830 455796052 /nfs/dbraw/zinc/79/60/52/455796052.db2.gz FEVPLQZSCFVMIY-UHFFFAOYSA-N 2 2 338.455 3.144 20 30 EGEDLP C[C@H]([NH2+][C@H]1CCO[C@H](c2c[nH+]cn2C)C1)c1ccc(C#N)cc1F ZINC000332429650 456075346 /nfs/dbraw/zinc/07/53/46/456075346.db2.gz PTJVNLVFEIXGCV-YEWDVWPNSA-N 2 2 328.391 3.002 20 30 EGEDLP C=C(C)COc1cc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)ccc1OC ZINC000344837382 456866960 /nfs/dbraw/zinc/86/69/60/456866960.db2.gz LGLSXHFZYZCUAQ-YJBOKZPZSA-N 2 2 330.472 3.222 20 30 EGEDLP C=C(C)COc1cc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)ccc1OC ZINC000344837382 456866964 /nfs/dbraw/zinc/86/69/64/456866964.db2.gz LGLSXHFZYZCUAQ-YJBOKZPZSA-N 2 2 330.472 3.222 20 30 EGEDLP Cc1cc(C)c(NC(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)c(C)[nH+]1 ZINC000331292132 457162219 /nfs/dbraw/zinc/16/22/19/457162219.db2.gz BQIQZTRSZWAZCC-QGZVFWFLSA-N 2 2 348.491 3.080 20 30 EGEDLP C[NH+](C)Cc1cnc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)s1 ZINC000347650226 457574805 /nfs/dbraw/zinc/57/48/05/457574805.db2.gz JGLJIROZQCWRMC-UHFFFAOYSA-N 2 2 326.469 3.241 20 30 EGEDLP C[NH+](C)Cc1cnc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)s1 ZINC000347650226 457574812 /nfs/dbraw/zinc/57/48/12/457574812.db2.gz JGLJIROZQCWRMC-UHFFFAOYSA-N 2 2 326.469 3.241 20 30 EGEDLP CO[C@@](C)([C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000414236531 458316848 /nfs/dbraw/zinc/31/68/48/458316848.db2.gz KTEWVISKWOOSAT-KKSFZXQISA-N 2 2 341.499 3.316 20 30 EGEDLP COC1([C@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000414313274 458317067 /nfs/dbraw/zinc/31/70/67/458317067.db2.gz YANDUPBCHORXEJ-INIZCTEOSA-N 2 2 327.472 3.070 20 30 EGEDLP C=CCC1(C(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)CCCC1 ZINC000422027798 458425123 /nfs/dbraw/zinc/42/51/23/458425123.db2.gz WYZWYNXJMYVTOP-UHFFFAOYSA-N 2 2 347.547 3.142 20 30 EGEDLP C=CCC1(C(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)CCCC1 ZINC000422027798 458425129 /nfs/dbraw/zinc/42/51/29/458425129.db2.gz WYZWYNXJMYVTOP-UHFFFAOYSA-N 2 2 347.547 3.142 20 30 EGEDLP CC(C)O[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000459625106 458430272 /nfs/dbraw/zinc/43/02/72/458430272.db2.gz AOOVGZSRCVOJPS-BGYRXZFFSA-N 2 2 327.472 3.068 20 30 EGEDLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(C#N)cc1OC(F)F ZINC000437883982 458507265 /nfs/dbraw/zinc/50/72/65/458507265.db2.gz YCMIQIQOZQIULG-INIZCTEOSA-N 2 2 337.414 3.466 20 30 EGEDLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(C#N)cc1OC(F)F ZINC000437883982 458507271 /nfs/dbraw/zinc/50/72/71/458507271.db2.gz YCMIQIQOZQIULG-INIZCTEOSA-N 2 2 337.414 3.466 20 30 EGEDLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(C#N)cc1OC(F)F ZINC000437883982 458507276 /nfs/dbraw/zinc/50/72/76/458507276.db2.gz YCMIQIQOZQIULG-INIZCTEOSA-N 2 2 337.414 3.466 20 30 EGEDLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(C#N)cc1OC(F)F ZINC000437883982 458507282 /nfs/dbraw/zinc/50/72/82/458507282.db2.gz YCMIQIQOZQIULG-INIZCTEOSA-N 2 2 337.414 3.466 20 30 EGEDLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]([NH3+])CCCC#N)c1 ZINC000424146381 458570491 /nfs/dbraw/zinc/57/04/91/458570491.db2.gz PNFISZCVADMZFJ-KRWDZBQOSA-N 2 2 339.443 3.310 20 30 EGEDLP N#CCC[C@@H](C#N)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000560454998 459349038 /nfs/dbraw/zinc/34/90/38/459349038.db2.gz LBLWXVAIKAKNCF-INIZCTEOSA-N 2 2 330.863 3.338 20 30 EGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)CC2 ZINC000596650257 459714929 /nfs/dbraw/zinc/71/49/29/459714929.db2.gz NESGAFHIBJOPOK-TYPHKJRUSA-N 2 2 335.426 3.420 20 30 EGEDLP CN(C)c1ccccc1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593693373 459953767 /nfs/dbraw/zinc/95/37/67/459953767.db2.gz WNHWBPMVNQABDT-UHFFFAOYSA-N 2 2 348.494 3.378 20 30 EGEDLP COCc1ccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)o1 ZINC000593693105 459954388 /nfs/dbraw/zinc/95/43/88/459954388.db2.gz PFONQWHAVAXYIX-UHFFFAOYSA-N 2 2 339.439 3.052 20 30 EGEDLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(C#N)n2)[C@@H]1c1cccs1 ZINC000602549840 459992436 /nfs/dbraw/zinc/99/24/36/459992436.db2.gz GBYZHQVLBKDJGH-RDTXWAMCSA-N 2 2 326.469 3.187 20 30 EGEDLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(C#N)n2)[C@@H]1c1cccs1 ZINC000602549840 459992438 /nfs/dbraw/zinc/99/24/38/459992438.db2.gz GBYZHQVLBKDJGH-RDTXWAMCSA-N 2 2 326.469 3.187 20 30 EGEDLP CC1CC[NH+]([C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)c2ccccc2)CC1 ZINC000598701335 459999852 /nfs/dbraw/zinc/99/98/52/459999852.db2.gz UISUOXWMBXOKQZ-WOJBJXKFSA-N 2 2 343.515 3.350 20 30 EGEDLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000611407025 460356720 /nfs/dbraw/zinc/35/67/20/460356720.db2.gz VCGFFJBGBMRSQC-RTWAWAEBSA-N 2 2 337.467 3.114 20 30 EGEDLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000611407025 460356725 /nfs/dbraw/zinc/35/67/25/460356725.db2.gz VCGFFJBGBMRSQC-RTWAWAEBSA-N 2 2 337.467 3.114 20 30 EGEDLP C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1OC ZINC000628174102 461033747 /nfs/dbraw/zinc/03/37/47/461033747.db2.gz XBUDIPXAFIZVLW-CQSZACIVSA-N 2 2 338.879 3.297 20 30 EGEDLP C=CCOc1c(Cl)cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1OC ZINC000628174102 461033751 /nfs/dbraw/zinc/03/37/51/461033751.db2.gz XBUDIPXAFIZVLW-CQSZACIVSA-N 2 2 338.879 3.297 20 30 EGEDLP C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000728712881 574767720 /nfs/dbraw/zinc/76/77/20/574767720.db2.gz BVNITEIBBCTJKE-XLIONFOSSA-N 2 2 335.451 3.342 20 30 EGEDLP C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000728712881 574767721 /nfs/dbraw/zinc/76/77/21/574767721.db2.gz BVNITEIBBCTJKE-XLIONFOSSA-N 2 2 335.451 3.342 20 30 EGEDLP CC(=NNc1cc[nH+]c2ccccc12)c1ccc(OCC[NH+](C)C)cc1 ZINC000730148510 574925855 /nfs/dbraw/zinc/92/58/55/574925855.db2.gz VVWWRZUIYDZJEY-UHFFFAOYSA-N 2 2 348.450 3.433 20 30 EGEDLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1C#N ZINC000742370381 576774865 /nfs/dbraw/zinc/77/48/65/576774865.db2.gz PKKFNVNTDKQARQ-OXQOHEQNSA-N 2 2 335.451 3.492 20 30 EGEDLP COc1ccc(C[NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1C#N ZINC000742370381 576774867 /nfs/dbraw/zinc/77/48/67/576774867.db2.gz PKKFNVNTDKQARQ-OXQOHEQNSA-N 2 2 335.451 3.492 20 30 EGEDLP C[NH+]=C(N[C@@H]1C[C@@H]1C1CCCCC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160128705 1294258526 /nfs/dbraw/zinc/25/85/26/1294258526.db2.gz KLVRCKJZFFUDOJ-AITUJVMLSA-N 2 2 343.519 3.310 20 30 EGEDLP C=CCc1cc(OC)cc(C[NH+]2CCC([NH+](CC)CC)CC2)c1O ZINC000164358073 1294348026 /nfs/dbraw/zinc/34/80/26/1294348026.db2.gz BHZHQCCAKKWUCY-UHFFFAOYSA-N 2 2 332.488 3.436 20 30 EGEDLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCC[C@H](C#N)C3)CC2)cc1 ZINC000192904618 1295812694 /nfs/dbraw/zinc/81/26/94/1295812694.db2.gz CFHRIQPJORZZBC-WMZOPIPTSA-N 2 2 326.488 3.393 20 30 EGEDLP C[NH+]1CCN(c2ccc(C=[NH+]Nc3ccc(F)cc3F)cc2)CC1 ZINC000771551527 1303419141 /nfs/dbraw/zinc/41/91/41/1303419141.db2.gz CROUQVQWPLTMKA-UHFFFAOYSA-N 2 2 330.382 3.163 20 30 EGEDLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cn1 ZINC000776730324 1304188968 /nfs/dbraw/zinc/18/89/68/1304188968.db2.gz QJPJWZBSWCSRGL-CYBMUJFWSA-N 2 2 335.386 3.437 20 30 EGEDLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C#N)ccc2Br)C1 ZINC000921619217 1322364972 /nfs/dbraw/zinc/36/49/72/1322364972.db2.gz NMYUXFDEXFZONC-AWEZNQCLSA-N 2 2 336.277 3.141 20 30 EGEDLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C#N)ccc2Br)C1 ZINC000921619217 1322364977 /nfs/dbraw/zinc/36/49/77/1322364977.db2.gz NMYUXFDEXFZONC-AWEZNQCLSA-N 2 2 336.277 3.141 20 30 EGEDLP C=C(Cl)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459489 1324302500 /nfs/dbraw/zinc/30/25/00/1324302500.db2.gz OLPCVPBQBGGDBZ-KBPBESRZSA-N 2 2 346.862 3.146 20 30 EGEDLP C=C(Cl)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459489 1324302505 /nfs/dbraw/zinc/30/25/05/1324302505.db2.gz OLPCVPBQBGGDBZ-KBPBESRZSA-N 2 2 346.862 3.146 20 30 EGEDLP C[C@H](CC(C)(C)C#N)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000925906796 1325353834 /nfs/dbraw/zinc/35/38/34/1325353834.db2.gz SEAPPMDQNVKLIL-OAHLLOKOSA-N 2 2 329.492 3.352 20 30 EGEDLP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000963670578 1325368442 /nfs/dbraw/zinc/36/84/42/1325368442.db2.gz OQJNLXWFXAQTMM-UHFFFAOYSA-N 2 2 346.862 3.060 20 30 EGEDLP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001039279066 1344994447 /nfs/dbraw/zinc/99/44/47/1344994447.db2.gz GNPAJLIZPDVVDI-ALOPSCKCSA-N 2 2 338.455 3.254 20 30 EGEDLP C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001184273165 1387421961 /nfs/dbraw/zinc/42/19/61/1387421961.db2.gz JELNRQNUCSHDFT-QZTJIDSGSA-N 2 2 346.519 3.163 20 30 EGEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2)C1 ZINC001103774632 1365778041 /nfs/dbraw/zinc/77/80/41/1365778041.db2.gz KATRSVYQJWUXCU-CEXWTWQISA-N 2 2 346.519 3.092 20 30 EGEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2)C1 ZINC001103774632 1365778044 /nfs/dbraw/zinc/77/80/44/1365778044.db2.gz KATRSVYQJWUXCU-CEXWTWQISA-N 2 2 346.519 3.092 20 30 EGEDLP CCCCCCC[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001113683896 1369563968 /nfs/dbraw/zinc/56/39/68/1369563968.db2.gz ARVUTDTYNUYAII-HXUWFJFHSA-N 2 2 345.531 3.404 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)C12CCC2 ZINC001202858121 1369910419 /nfs/dbraw/zinc/91/04/19/1369910419.db2.gz ZRKHFXALASPOEV-SJORKVTESA-N 2 2 346.519 3.330 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C12CCC2 ZINC001203242813 1370037351 /nfs/dbraw/zinc/03/73/51/1370037351.db2.gz XDVUUWJWWSOTQO-MSOLQXFVSA-N 2 2 346.519 3.261 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C12CCC2 ZINC001203242814 1370037405 /nfs/dbraw/zinc/03/74/05/1370037405.db2.gz XDVUUWJWWSOTQO-QZTJIDSGSA-N 2 2 346.519 3.261 20 30 EGEDLP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CCCCC1 ZINC001115725271 1370705323 /nfs/dbraw/zinc/70/53/23/1370705323.db2.gz RYVQSJAASHXQGT-MRXNPFEDSA-N 2 2 344.503 3.205 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001206427560 1371051729 /nfs/dbraw/zinc/05/17/29/1371051729.db2.gz IXSXRDKWQPIJHA-IRXDYDNUSA-N 2 2 332.492 3.017 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001208551464 1371813942 /nfs/dbraw/zinc/81/39/42/1371813942.db2.gz KQJZNAQQJXMWRR-QGZVFWFLSA-N 2 2 342.487 3.499 20 30 EGEDLP C=CCCCCCCC[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001209441676 1372107265 /nfs/dbraw/zinc/10/72/65/1372107265.db2.gz KTYGWCPZLNCNLE-UHFFFAOYSA-N 2 2 342.491 3.255 20 30 EGEDLP C=CCCCCCCC[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001209441676 1372107268 /nfs/dbraw/zinc/10/72/68/1372107268.db2.gz KTYGWCPZLNCNLE-UHFFFAOYSA-N 2 2 342.491 3.255 20 30 EGEDLP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001209866276 1372218070 /nfs/dbraw/zinc/21/80/70/1372218070.db2.gz QPTBCSBGQJPCNV-QZTJIDSGSA-N 2 2 332.492 3.161 20 30 EGEDLP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001226972986 1375375477 /nfs/dbraw/zinc/37/54/77/1375375477.db2.gz JUJSAVQSFUKYJK-KURKYZTESA-N 2 2 332.492 3.063 20 30 EGEDLP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132781774 1375561544 /nfs/dbraw/zinc/56/15/44/1375561544.db2.gz FVZRKANWVFGHHT-QZTJIDSGSA-N 2 2 348.535 3.387 20 30 EGEDLP N#Cc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(O)c1 ZINC001233387019 1376634313 /nfs/dbraw/zinc/63/43/13/1376634313.db2.gz QQNHDPLHYQJOCM-QFIPXVFZSA-N 2 2 347.462 3.362 20 30 EGEDLP CCCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001135057515 1376872799 /nfs/dbraw/zinc/87/27/99/1376872799.db2.gz WLCLFGLOWNXLML-IAGOWNOFSA-N 2 2 336.524 3.196 20 30 EGEDLP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135098326 1376897679 /nfs/dbraw/zinc/89/76/79/1376897679.db2.gz WRQYHXURMKRGIB-IAGOWNOFSA-N 2 2 340.471 3.325 20 30 EGEDLP N#Cc1cccc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC001139360850 1377874217 /nfs/dbraw/zinc/87/42/17/1377874217.db2.gz IPKNKNNITANWHB-UHFFFAOYSA-N 2 2 343.434 3.066 20 30 EGEDLP C=CCn1cc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC001139773063 1377948778 /nfs/dbraw/zinc/94/87/78/1377948778.db2.gz YFTBQQYSLVCMQW-NRFANRHFSA-N 2 2 336.483 3.167 20 30 EGEDLP C=CCn1cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC001139773063 1377948780 /nfs/dbraw/zinc/94/87/80/1377948780.db2.gz YFTBQQYSLVCMQW-NRFANRHFSA-N 2 2 336.483 3.167 20 30 EGEDLP C=CCn1cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC001139773063 1377948784 /nfs/dbraw/zinc/94/87/84/1377948784.db2.gz YFTBQQYSLVCMQW-NRFANRHFSA-N 2 2 336.483 3.167 20 30 EGEDLP C=CCn1cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC001139773063 1377948786 /nfs/dbraw/zinc/94/87/86/1377948786.db2.gz YFTBQQYSLVCMQW-NRFANRHFSA-N 2 2 336.483 3.167 20 30 EGEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)c(O)c1 ZINC001276494229 1378176264 /nfs/dbraw/zinc/17/62/64/1378176264.db2.gz QREIVUAZOLRKDZ-OAQYLSRUSA-N 2 2 339.483 3.494 20 30 EGEDLP N#Cc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)c(O)c1 ZINC001276494229 1378176269 /nfs/dbraw/zinc/17/62/69/1378176269.db2.gz QREIVUAZOLRKDZ-OAQYLSRUSA-N 2 2 339.483 3.494 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C4CCCC4)C3)C2)c(O)c1 ZINC001276494229 1378176275 /nfs/dbraw/zinc/17/62/75/1378176275.db2.gz QREIVUAZOLRKDZ-OAQYLSRUSA-N 2 2 339.483 3.494 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C4CCCC4)C3)C2)c(O)c1 ZINC001276494229 1378176276 /nfs/dbraw/zinc/17/62/76/1378176276.db2.gz QREIVUAZOLRKDZ-OAQYLSRUSA-N 2 2 339.483 3.494 20 30 EGEDLP CC1(C)CCCc2cc(C#N)c(-n3c[nH+]cc3C3CC[NH2+]CC3)nc21 ZINC001155062737 1380401047 /nfs/dbraw/zinc/40/10/47/1380401047.db2.gz GQYDEGRTIMYHJA-UHFFFAOYSA-N 2 2 335.455 3.220 20 30 EGEDLP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001157880626 1381058781 /nfs/dbraw/zinc/05/87/81/1381058781.db2.gz LYONBNCFVWNECS-DLBZAZTESA-N 2 2 332.492 3.010 20 30 EGEDLP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001157880626 1381058782 /nfs/dbraw/zinc/05/87/82/1381058782.db2.gz LYONBNCFVWNECS-DLBZAZTESA-N 2 2 332.492 3.010 20 30 EGEDLP C=C(C)CC[N@H+]1CC=C(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001160491502 1382120663 /nfs/dbraw/zinc/12/06/63/1382120663.db2.gz FPFRPTWRSBUVNO-UHFFFAOYSA-N 2 2 344.503 3.031 20 30 EGEDLP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001160491502 1382120666 /nfs/dbraw/zinc/12/06/66/1382120666.db2.gz FPFRPTWRSBUVNO-UHFFFAOYSA-N 2 2 344.503 3.031 20 30 EGEDLP N#Cc1ccc2cc[nH+]c(NC3(Cc4ccccn4)CC[NH2+]CC3)c2c1 ZINC001161491038 1382420839 /nfs/dbraw/zinc/42/08/39/1382420839.db2.gz COKGOUJNPSRGEP-UHFFFAOYSA-N 2 2 343.434 3.278 20 30 EGEDLP Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NCCCC[NH+](C)C)[nH+]1 ZINC001161728498 1382490306 /nfs/dbraw/zinc/49/03/06/1382490306.db2.gz MBBZFQSHAWPWAU-FOYGFLCZSA-N 2 2 338.521 3.025 20 30 EGEDLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+]([C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171224681 1384473365 /nfs/dbraw/zinc/47/33/65/1384473365.db2.gz UEMHMUQFMNUJJY-DYESRHJHSA-N 2 2 341.499 3.064 20 30 EGEDLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171224681 1384473367 /nfs/dbraw/zinc/47/33/67/1384473367.db2.gz UEMHMUQFMNUJJY-DYESRHJHSA-N 2 2 341.499 3.064 20 30 EGEDLP C=CCN1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172072169 1384717669 /nfs/dbraw/zinc/71/76/69/1384717669.db2.gz HUFKDHBWXPBPPS-KOUNCHBCSA-N 2 2 339.527 3.376 20 30 EGEDLP C=CCN1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172072169 1384717673 /nfs/dbraw/zinc/71/76/73/1384717673.db2.gz HUFKDHBWXPBPPS-KOUNCHBCSA-N 2 2 339.527 3.376 20 30 EGEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001175703511 1385377474 /nfs/dbraw/zinc/37/74/74/1385377474.db2.gz DLYQBPCCLJDQAP-QGZVFWFLSA-N 2 2 342.487 3.026 20 30 EGEDLP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001177431325 1385954542 /nfs/dbraw/zinc/95/45/42/1385954542.db2.gz SYVWODJBBQBGAV-SFHVURJKSA-N 2 2 346.519 3.409 20 30 EGEDLP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001342754950 1390650211 /nfs/dbraw/zinc/65/02/11/1390650211.db2.gz NFTFLHOATYNHEY-JKSUJKDBSA-N 2 2 332.492 3.028 20 30 EGEDLP C=C(C)CC[NH2+]C1CCC(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001752850526 1440233370 /nfs/dbraw/zinc/23/33/70/1440233370.db2.gz GUYWWCPVWLYKKJ-ACBHZAAOSA-N 2 2 346.519 3.454 20 30 EGEDLP C#CCC[NH2+]C1CCC(N(C)C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001755275063 1440798804 /nfs/dbraw/zinc/79/88/04/1440798804.db2.gz QLMVNTCPEKTZJJ-UHFFFAOYSA-N 2 2 327.472 3.003 20 30 EGEDLP N#Cc1cc(Cl)ccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000187106001 236119480 /nfs/dbraw/zinc/11/94/80/236119480.db2.gz PMGAASUCBPNBQM-UHFFFAOYSA-N 2 2 347.890 3.288 20 30 EGEDLP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181388898 533658590 /nfs/dbraw/zinc/65/85/90/533658590.db2.gz OAOTXYYSBZKMGH-UHFFFAOYSA-N 2 2 335.451 3.321 20 30 EGEDLP C[N@H+](Cc1ccc(C#N)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000488399156 267315398 /nfs/dbraw/zinc/31/53/98/267315398.db2.gz POSPYBQSOAVCCU-UHFFFAOYSA-N 2 2 325.378 3.407 20 30 EGEDLP C[N@@H+](Cc1ccc(C#N)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000488399156 267315399 /nfs/dbraw/zinc/31/53/99/267315399.db2.gz POSPYBQSOAVCCU-UHFFFAOYSA-N 2 2 325.378 3.407 20 30 EGEDLP C[C@H]1CC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000182100212 455436551 /nfs/dbraw/zinc/43/65/51/455436551.db2.gz VNAYOCBZUMFTKV-HOTGVXAUSA-N 2 2 327.472 3.068 20 30 EGEDLP C[NH+](C)C1CC[NH+](CCNc2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000097163604 454419274 /nfs/dbraw/zinc/41/92/74/454419274.db2.gz LKVXJGVYKWKRKM-UHFFFAOYSA-N 2 2 340.393 3.015 20 30 EGEDLP Cc1ncc(CO[NH+]=C(N)c2cccc(C[NH+]3CCCCC3)c2)s1 ZINC000170641635 454947145 /nfs/dbraw/zinc/94/71/45/454947145.db2.gz YCRMVQHSXFGUAU-UHFFFAOYSA-N 2 2 344.484 3.275 20 30 EGEDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000246334371 455473425 /nfs/dbraw/zinc/47/34/25/455473425.db2.gz BUYLVLUHFMTFHQ-RDTXWAMCSA-N 2 2 326.469 3.015 20 30 EGEDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000246334371 455473427 /nfs/dbraw/zinc/47/34/27/455473427.db2.gz BUYLVLUHFMTFHQ-RDTXWAMCSA-N 2 2 326.469 3.015 20 30 EGEDLP C=C(C)COc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1OC ZINC000292718957 455740198 /nfs/dbraw/zinc/74/01/98/455740198.db2.gz FCSXIPKRDVPYTQ-HXUWFJFHSA-N 2 2 330.472 3.178 20 30 EGEDLP C=C(C)COc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1OC ZINC000292718957 455740201 /nfs/dbraw/zinc/74/02/01/455740201.db2.gz FCSXIPKRDVPYTQ-HXUWFJFHSA-N 2 2 330.472 3.178 20 30 EGEDLP C=C(C)COc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1OC ZINC000292718957 455740207 /nfs/dbraw/zinc/74/02/07/455740207.db2.gz FCSXIPKRDVPYTQ-HXUWFJFHSA-N 2 2 330.472 3.178 20 30 EGEDLP C=C(C)COc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1OC ZINC000292718957 455740212 /nfs/dbraw/zinc/74/02/12/455740212.db2.gz FCSXIPKRDVPYTQ-HXUWFJFHSA-N 2 2 330.472 3.178 20 30 EGEDLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](CCC#N)c2ccccc2)CC1 ZINC000271826333 455776043 /nfs/dbraw/zinc/77/60/43/455776043.db2.gz PWKKHHNRBFESOW-IBGZPJMESA-N 2 2 343.471 3.039 20 30 EGEDLP CC[NH+]=C(NCCc1ccsc1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261961237 455979101 /nfs/dbraw/zinc/97/91/01/455979101.db2.gz KFTUOGSNOWKVEH-RDJZCZTQSA-N 2 2 345.516 3.036 20 30 EGEDLP N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000287883089 456080700 /nfs/dbraw/zinc/08/07/00/456080700.db2.gz SXHXPMURHKBCNO-ZDUSSCGKSA-N 2 2 345.244 3.423 20 30 EGEDLP N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000287883089 456080703 /nfs/dbraw/zinc/08/07/03/456080703.db2.gz SXHXPMURHKBCNO-ZDUSSCGKSA-N 2 2 345.244 3.423 20 30 EGEDLP C=C(C)COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)ccc1OC ZINC000340426827 456453681 /nfs/dbraw/zinc/45/36/81/456453681.db2.gz NZZQJTVBTOQMMR-ZWKOTPCHSA-N 2 2 330.472 3.367 20 30 EGEDLP C=C(C)COc1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)ccc1OC ZINC000340426827 456453685 /nfs/dbraw/zinc/45/36/85/456453685.db2.gz NZZQJTVBTOQMMR-ZWKOTPCHSA-N 2 2 330.472 3.367 20 30 EGEDLP CO[C@](C)([C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000414236528 458316856 /nfs/dbraw/zinc/31/68/56/458316856.db2.gz KTEWVISKWOOSAT-HRAATJIYSA-N 2 2 341.499 3.316 20 30 EGEDLP CC(C)[N@@H+]1CCc2nc(C[NH2+]Cc3ccc(C#N)c(F)c3)sc2C1 ZINC000449738026 458430549 /nfs/dbraw/zinc/43/05/49/458430549.db2.gz XHJDVOFLBXMECP-UHFFFAOYSA-N 2 2 344.459 3.210 20 30 EGEDLP CC(C)[N@H+]1CCc2nc(C[NH2+]Cc3ccc(C#N)c(F)c3)sc2C1 ZINC000449738026 458430552 /nfs/dbraw/zinc/43/05/52/458430552.db2.gz XHJDVOFLBXMECP-UHFFFAOYSA-N 2 2 344.459 3.210 20 30 EGEDLP CO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C12CCC2 ZINC000459726281 458458418 /nfs/dbraw/zinc/45/84/18/458458418.db2.gz BMLMRVNNVLHPJK-WOJBJXKFSA-N 2 2 339.483 3.070 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc3c(cc2OC)C[C@H](C)O3)CC1 ZINC000518509605 458873746 /nfs/dbraw/zinc/87/37/46/458873746.db2.gz GXUBYDMBRQIUIK-HNNXBMFYSA-N 2 2 330.472 3.149 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000474713947 458897806 /nfs/dbraw/zinc/89/78/06/458897806.db2.gz YCQOYBDGZCCOSJ-JKSUJKDBSA-N 2 2 332.488 3.436 20 30 EGEDLP N#Cc1ccc(N2CCC([NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000594522539 459079280 /nfs/dbraw/zinc/07/92/80/459079280.db2.gz ZLRTYNYBUCLDHX-SFTDATJTSA-N 2 2 338.499 3.134 20 30 EGEDLP N#Cc1ccc(N2CCC([NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000594522539 459079292 /nfs/dbraw/zinc/07/92/92/459079292.db2.gz ZLRTYNYBUCLDHX-SFTDATJTSA-N 2 2 338.499 3.134 20 30 EGEDLP C=CC[NH+]1CCC(NC(=O)c2ccccc2Oc2cc[nH+]cc2)CC1 ZINC000558714880 459201320 /nfs/dbraw/zinc/20/13/20/459201320.db2.gz NGAKYHKIFUTYFZ-UHFFFAOYSA-N 2 2 337.423 3.254 20 30 EGEDLP N#Cc1ccc(OCC[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cc1 ZINC000595511856 459330609 /nfs/dbraw/zinc/33/06/09/459330609.db2.gz SWHCXOOKOFBLOD-UHFFFAOYSA-N 2 2 335.451 3.191 20 30 EGEDLP Cc1cc(Br)cn2cc(CC[NH2+]C[C@H](C)CCC#N)[nH+]c12 ZINC000602611756 460022305 /nfs/dbraw/zinc/02/23/05/460022305.db2.gz FPOUGBPZVBPEPA-GFCCVEGCSA-N 2 2 349.276 3.477 20 30 EGEDLP N#Cc1cccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC000602661129 460050066 /nfs/dbraw/zinc/05/00/66/460050066.db2.gz JMWOCFPOHGAKHF-OAQYLSRUSA-N 2 2 332.451 3.051 20 30 EGEDLP N#Cc1cccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC000602661129 460050077 /nfs/dbraw/zinc/05/00/77/460050077.db2.gz JMWOCFPOHGAKHF-OAQYLSRUSA-N 2 2 332.451 3.051 20 30 EGEDLP N#Cc1cccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC000602661129 460050081 /nfs/dbraw/zinc/05/00/81/460050081.db2.gz JMWOCFPOHGAKHF-OAQYLSRUSA-N 2 2 332.451 3.051 20 30 EGEDLP N#Cc1cccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC000602661129 460050087 /nfs/dbraw/zinc/05/00/87/460050087.db2.gz JMWOCFPOHGAKHF-OAQYLSRUSA-N 2 2 332.451 3.051 20 30 EGEDLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000611407023 460357044 /nfs/dbraw/zinc/35/70/44/460357044.db2.gz VCGFFJBGBMRSQC-LEWJYISDSA-N 2 2 337.467 3.114 20 30 EGEDLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000611407023 460357049 /nfs/dbraw/zinc/35/70/49/460357049.db2.gz VCGFFJBGBMRSQC-LEWJYISDSA-N 2 2 337.467 3.114 20 30 EGEDLP C=CCCn1cc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)nn1 ZINC000653569743 461728003 /nfs/dbraw/zinc/72/80/03/461728003.db2.gz IUKURIVOKXQLHN-SFHVURJKSA-N 2 2 345.535 3.331 20 30 EGEDLP C=CCCn1cc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)nn1 ZINC000653569743 461728012 /nfs/dbraw/zinc/72/80/12/461728012.db2.gz IUKURIVOKXQLHN-SFHVURJKSA-N 2 2 345.535 3.331 20 30 EGEDLP CC[N@H+](C)C[C@H]1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000154533754 527835772 /nfs/dbraw/zinc/83/57/72/527835772.db2.gz OTHNEBFNRCIGGG-MRXNPFEDSA-N 2 2 340.389 3.210 20 30 EGEDLP CC[N@@H+](C)C[C@H]1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000154533754 527835775 /nfs/dbraw/zinc/83/57/75/527835775.db2.gz OTHNEBFNRCIGGG-MRXNPFEDSA-N 2 2 340.389 3.210 20 30 EGEDLP CC[NH+](C)C[C@H]1CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000154533754 527835779 /nfs/dbraw/zinc/83/57/79/527835779.db2.gz OTHNEBFNRCIGGG-MRXNPFEDSA-N 2 2 340.389 3.210 20 30 EGEDLP CC[NH+](C)C[C@H]1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000154533754 527835783 /nfs/dbraw/zinc/83/57/83/527835783.db2.gz OTHNEBFNRCIGGG-MRXNPFEDSA-N 2 2 340.389 3.210 20 30 EGEDLP C[NH+]1CCN(c2cccc(Cl)c2C=[NH+]Nc2ccc(F)cn2)CC1 ZINC000731319573 575065495 /nfs/dbraw/zinc/06/54/95/575065495.db2.gz WIEVRNVXXSOBKS-UHFFFAOYSA-N 2 2 347.825 3.072 20 30 EGEDLP N#Cc1ccc(-c2ccn(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)n2)cc1 ZINC000742169233 576754750 /nfs/dbraw/zinc/75/47/50/576754750.db2.gz PYUHWXBQJQFSII-IBGZPJMESA-N 2 2 349.482 3.187 20 30 EGEDLP N#Cc1ccc(-c2ccn(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)n2)cc1 ZINC000742169233 576754751 /nfs/dbraw/zinc/75/47/51/576754751.db2.gz PYUHWXBQJQFSII-IBGZPJMESA-N 2 2 349.482 3.187 20 30 EGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1n1cncn1)C(C)C ZINC000340472283 1297313188 /nfs/dbraw/zinc/31/31/88/1297313188.db2.gz IAKUTKFZEDUQEW-YSTOQKLRSA-N 2 2 345.535 3.296 20 30 EGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)cc1Br ZINC000380910417 1297547012 /nfs/dbraw/zinc/54/70/12/1297547012.db2.gz JHKVNESWWRKHIG-LBPRGKRZSA-N 2 2 327.241 3.194 20 30 EGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)cc1Br ZINC000380910417 1297547018 /nfs/dbraw/zinc/54/70/18/1297547018.db2.gz JHKVNESWWRKHIG-LBPRGKRZSA-N 2 2 327.241 3.194 20 30 EGEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000695861808 1298162464 /nfs/dbraw/zinc/16/24/64/1298162464.db2.gz BXMTZEDCMDAKMC-MJGOQNOKSA-N 2 2 329.488 3.195 20 30 EGEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000695861808 1298162472 /nfs/dbraw/zinc/16/24/72/1298162472.db2.gz BXMTZEDCMDAKMC-MJGOQNOKSA-N 2 2 329.488 3.195 20 30 EGEDLP CCC[N@H+](C)C[C@H]1CC[NH+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878159723 1299786508 /nfs/dbraw/zinc/78/65/08/1299786508.db2.gz SKWWYKXCTYFONK-TZIWHRDSSA-N 2 2 341.499 3.091 20 30 EGEDLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878159723 1299786515 /nfs/dbraw/zinc/78/65/15/1299786515.db2.gz SKWWYKXCTYFONK-TZIWHRDSSA-N 2 2 341.499 3.091 20 30 EGEDLP CCC[NH+](C)C[C@H]1CC[N@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878159723 1299786526 /nfs/dbraw/zinc/78/65/26/1299786526.db2.gz SKWWYKXCTYFONK-TZIWHRDSSA-N 2 2 341.499 3.091 20 30 EGEDLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878159723 1299786535 /nfs/dbraw/zinc/78/65/35/1299786535.db2.gz SKWWYKXCTYFONK-TZIWHRDSSA-N 2 2 341.499 3.091 20 30 EGEDLP C[C@H]1CC[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000759160354 1301029969 /nfs/dbraw/zinc/02/99/69/1301029969.db2.gz TYSYQEDWBZDULN-OXJNMPFZSA-N 2 2 346.438 3.159 20 30 EGEDLP C[C@H]1CC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000759160354 1301029979 /nfs/dbraw/zinc/02/99/79/1301029979.db2.gz TYSYQEDWBZDULN-OXJNMPFZSA-N 2 2 346.438 3.159 20 30 EGEDLP C#Cc1ccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1 ZINC000809624343 1317847689 /nfs/dbraw/zinc/84/76/89/1317847689.db2.gz KREIUZMDEUHWSY-UHFFFAOYSA-N 2 2 333.479 3.493 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]21 ZINC001036750230 1343673392 /nfs/dbraw/zinc/67/33/92/1343673392.db2.gz KFGWXHUYWZOJTO-KXBFYZLASA-N 2 2 338.455 3.066 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]21 ZINC001036750230 1343673393 /nfs/dbraw/zinc/67/33/93/1343673393.db2.gz KFGWXHUYWZOJTO-KXBFYZLASA-N 2 2 338.455 3.066 20 30 EGEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1CC ZINC001037894254 1344165927 /nfs/dbraw/zinc/16/59/27/1344165927.db2.gz SYBJHNPHBCJLMF-MSOLQXFVSA-N 2 2 329.488 3.413 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001042116069 1345948745 /nfs/dbraw/zinc/94/87/45/1345948745.db2.gz GPAQHJQCAAWBDW-HNAYVOBHSA-N 2 2 338.455 3.066 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001042116069 1345948746 /nfs/dbraw/zinc/94/87/46/1345948746.db2.gz GPAQHJQCAAWBDW-HNAYVOBHSA-N 2 2 338.455 3.066 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001045944701 1346780628 /nfs/dbraw/zinc/78/06/28/1346780628.db2.gz ODIBNRQXMCGAKX-HXUWFJFHSA-N 2 2 344.503 3.013 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001045944701 1346780632 /nfs/dbraw/zinc/78/06/32/1346780632.db2.gz ODIBNRQXMCGAKX-HXUWFJFHSA-N 2 2 344.503 3.013 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001045944701 1346780633 /nfs/dbraw/zinc/78/06/33/1346780633.db2.gz ODIBNRQXMCGAKX-HXUWFJFHSA-N 2 2 344.503 3.013 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001045944701 1346780636 /nfs/dbraw/zinc/78/06/36/1346780636.db2.gz ODIBNRQXMCGAKX-HXUWFJFHSA-N 2 2 344.503 3.013 20 30 EGEDLP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001052599550 1348591266 /nfs/dbraw/zinc/59/12/66/1348591266.db2.gz WQWVNFUEUFMXPV-SFHVURJKSA-N 2 2 338.455 3.033 20 30 EGEDLP C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001052599550 1348591270 /nfs/dbraw/zinc/59/12/70/1348591270.db2.gz WQWVNFUEUFMXPV-SFHVURJKSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053084334 1348904981 /nfs/dbraw/zinc/90/49/81/1348904981.db2.gz PSVUZWJDYTWOTB-MSOLQXFVSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053084334 1348904985 /nfs/dbraw/zinc/90/49/85/1348904985.db2.gz PSVUZWJDYTWOTB-MSOLQXFVSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053086007 1348908431 /nfs/dbraw/zinc/90/84/31/1348908431.db2.gz AJDAOFYVCLUMTP-MJGOQNOKSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053086007 1348908433 /nfs/dbraw/zinc/90/84/33/1348908433.db2.gz AJDAOFYVCLUMTP-MJGOQNOKSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053086007 1348908436 /nfs/dbraw/zinc/90/84/36/1348908436.db2.gz AJDAOFYVCLUMTP-MJGOQNOKSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053086007 1348908439 /nfs/dbraw/zinc/90/84/39/1348908439.db2.gz AJDAOFYVCLUMTP-MJGOQNOKSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053086009 1348908566 /nfs/dbraw/zinc/90/85/66/1348908566.db2.gz AJDAOFYVCLUMTP-PKOBYXMFSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)C[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053086009 1348908569 /nfs/dbraw/zinc/90/85/69/1348908569.db2.gz AJDAOFYVCLUMTP-PKOBYXMFSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053086009 1348908572 /nfs/dbraw/zinc/90/85/72/1348908572.db2.gz AJDAOFYVCLUMTP-PKOBYXMFSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)C[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053086009 1348908575 /nfs/dbraw/zinc/90/85/75/1348908575.db2.gz AJDAOFYVCLUMTP-PKOBYXMFSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053103757 1348938825 /nfs/dbraw/zinc/93/88/25/1348938825.db2.gz LLHQULWYVLIELT-QZTJIDSGSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053103757 1348938827 /nfs/dbraw/zinc/93/88/27/1348938827.db2.gz LLHQULWYVLIELT-QZTJIDSGSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001184535866 1387486363 /nfs/dbraw/zinc/48/63/63/1387486363.db2.gz YNGHBUXMSKYQLF-ZWKOTPCHSA-N 2 2 346.519 3.163 20 30 EGEDLP C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001184535866 1387486367 /nfs/dbraw/zinc/48/63/67/1387486367.db2.gz YNGHBUXMSKYQLF-ZWKOTPCHSA-N 2 2 346.519 3.163 20 30 EGEDLP C=C(Cl)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001099130348 1363642965 /nfs/dbraw/zinc/64/29/65/1363642965.db2.gz KGALHHQHCNEFOB-OAHLLOKOSA-N 2 2 343.943 3.076 20 30 EGEDLP C=C(Cl)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[N@H+](C)CC ZINC001099130348 1363642968 /nfs/dbraw/zinc/64/29/68/1363642968.db2.gz KGALHHQHCNEFOB-OAHLLOKOSA-N 2 2 343.943 3.076 20 30 EGEDLP C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+](C)CC ZINC001099130348 1363642974 /nfs/dbraw/zinc/64/29/74/1363642974.db2.gz KGALHHQHCNEFOB-OAHLLOKOSA-N 2 2 343.943 3.076 20 30 EGEDLP C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+](C)CC ZINC001099130348 1363642975 /nfs/dbraw/zinc/64/29/75/1363642975.db2.gz KGALHHQHCNEFOB-OAHLLOKOSA-N 2 2 343.943 3.076 20 30 EGEDLP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001099251651 1363714264 /nfs/dbraw/zinc/71/42/64/1363714264.db2.gz MUHOZGMHSRNWIE-IAGOWNOFSA-N 2 2 332.492 3.017 20 30 EGEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001099251651 1363714268 /nfs/dbraw/zinc/71/42/68/1363714268.db2.gz MUHOZGMHSRNWIE-IAGOWNOFSA-N 2 2 332.492 3.017 20 30 EGEDLP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH+]ccn1C)C2 ZINC001109548934 1367191619 /nfs/dbraw/zinc/19/16/19/1367191619.db2.gz ASQATMPJTFDDEX-SQNIBIBYSA-N 2 2 346.519 3.045 20 30 EGEDLP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH+]ccn1C)C2 ZINC001109548934 1367191625 /nfs/dbraw/zinc/19/16/25/1367191625.db2.gz ASQATMPJTFDDEX-SQNIBIBYSA-N 2 2 346.519 3.045 20 30 EGEDLP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191320715 1367475433 /nfs/dbraw/zinc/47/54/33/1367475433.db2.gz OUAPFSAFMWQABD-QGZVFWFLSA-N 2 2 340.471 3.227 20 30 EGEDLP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191320715 1367475435 /nfs/dbraw/zinc/47/54/35/1367475435.db2.gz OUAPFSAFMWQABD-QGZVFWFLSA-N 2 2 340.471 3.227 20 30 EGEDLP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001108711482 1367549514 /nfs/dbraw/zinc/54/95/14/1367549514.db2.gz JXUCZNMWUZZFNH-XIRDDKMYSA-N 2 2 338.455 3.112 20 30 EGEDLP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001111784542 1368460385 /nfs/dbraw/zinc/46/03/85/1368460385.db2.gz PIIWRWZXPFFCNO-NSHGMRRFSA-N 2 2 344.503 3.017 20 30 EGEDLP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001111784542 1368460387 /nfs/dbraw/zinc/46/03/87/1368460387.db2.gz PIIWRWZXPFFCNO-NSHGMRRFSA-N 2 2 344.503 3.017 20 30 EGEDLP CCCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1)C2 ZINC001112590855 1368940288 /nfs/dbraw/zinc/94/02/88/1368940288.db2.gz TZCLQRPUISRKFQ-ICSRJNTNSA-N 2 2 346.519 3.072 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001200571408 1369391655 /nfs/dbraw/zinc/39/16/55/1369391655.db2.gz VYNZVKFCEQVOBT-OAHLLOKOSA-N 2 2 340.471 3.192 20 30 EGEDLP CCCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001202456567 1369776799 /nfs/dbraw/zinc/77/67/99/1369776799.db2.gz QYSADTYLCPTXKH-QGZVFWFLSA-N 2 2 346.519 3.381 20 30 EGEDLP C=CCCCCC[NH2+][C@@H]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)C12CCC2 ZINC001202854345 1369908614 /nfs/dbraw/zinc/90/86/14/1369908614.db2.gz BBZDRXYDFWVNNA-SJORKVTESA-N 2 2 344.503 3.106 20 30 EGEDLP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C12CCC2 ZINC001203659794 1370205571 /nfs/dbraw/zinc/20/55/71/1370205571.db2.gz KZRHKQBJGARWCL-ROUUACIJSA-N 2 2 344.503 3.024 20 30 EGEDLP C=CC[NH2+]C1(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CCCCC1 ZINC001115583500 1370585719 /nfs/dbraw/zinc/58/57/19/1370585719.db2.gz HTWJTODJOWGLBF-QGZVFWFLSA-N 2 2 332.492 3.065 20 30 EGEDLP C=CCCC[NH2+]C1(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CCCCC1 ZINC001115591986 1370592952 /nfs/dbraw/zinc/59/29/52/1370592952.db2.gz NOOGWOGHCKEVQB-UHFFFAOYSA-N 2 2 346.519 3.302 20 30 EGEDLP C=C(C)CC[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CCCCC1 ZINC001115627359 1370620021 /nfs/dbraw/zinc/62/00/21/1370620021.db2.gz AXPNRHJLYONDHH-UHFFFAOYSA-N 2 2 340.471 3.323 20 30 EGEDLP CCCCCCC[NH2+]CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001205811759 1370879847 /nfs/dbraw/zinc/87/98/47/1370879847.db2.gz XDSIDADFXHDUHE-UHFFFAOYSA-N 2 2 334.508 3.072 20 30 EGEDLP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001208410701 1371757790 /nfs/dbraw/zinc/75/77/90/1371757790.db2.gz CLOAYMTWMKRCDX-SFHVURJKSA-N 2 2 346.519 3.254 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001210049817 1372262690 /nfs/dbraw/zinc/26/26/90/1372262690.db2.gz ABOWVGAMBLLAOX-DLBZAZTESA-N 2 2 334.508 3.139 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001210049817 1372262697 /nfs/dbraw/zinc/26/26/97/1372262697.db2.gz ABOWVGAMBLLAOX-DLBZAZTESA-N 2 2 334.508 3.139 20 30 EGEDLP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001210667063 1372402914 /nfs/dbraw/zinc/40/29/14/1372402914.db2.gz CPFYFSFZYONYQB-MRXNPFEDSA-N 2 2 332.492 3.014 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132025714 1375105352 /nfs/dbraw/zinc/10/53/52/1375105352.db2.gz UFZOFVGPZLYJST-IAGOWNOFSA-N 2 2 332.492 3.058 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132025714 1375105355 /nfs/dbraw/zinc/10/53/55/1375105355.db2.gz UFZOFVGPZLYJST-IAGOWNOFSA-N 2 2 332.492 3.058 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132090011 1375139888 /nfs/dbraw/zinc/13/98/88/1375139888.db2.gz BYTNMHJFGANCJK-SJLPKXTDSA-N 2 2 332.492 3.058 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132090011 1375139890 /nfs/dbraw/zinc/13/98/90/1375139890.db2.gz BYTNMHJFGANCJK-SJLPKXTDSA-N 2 2 332.492 3.058 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132090011 1375139892 /nfs/dbraw/zinc/13/98/92/1375139892.db2.gz BYTNMHJFGANCJK-SJLPKXTDSA-N 2 2 332.492 3.058 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132090011 1375139897 /nfs/dbraw/zinc/13/98/97/1375139897.db2.gz BYTNMHJFGANCJK-SJLPKXTDSA-N 2 2 332.492 3.058 20 30 EGEDLP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001226964897 1375373400 /nfs/dbraw/zinc/37/34/00/1375373400.db2.gz MHSZRQNIMNCWIC-GUDVDZBRSA-N 2 2 346.519 3.454 20 30 EGEDLP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001134369540 1376497869 /nfs/dbraw/zinc/49/78/69/1376497869.db2.gz NTRISZSYDPKZPO-HUUCEWRRSA-N 2 2 328.460 3.095 20 30 EGEDLP N#Cc1ccc(O)c(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)c1 ZINC001232678580 1376500920 /nfs/dbraw/zinc/50/09/20/1376500920.db2.gz IMQBLKATYGGDPW-UHFFFAOYSA-N 2 2 347.462 3.362 20 30 EGEDLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(C#N)cc4O)C[C@@H]3C2)cc1 ZINC001233384913 1376633951 /nfs/dbraw/zinc/63/39/51/1376633951.db2.gz MYFOUEXPNDQKAU-SFTDATJTSA-N 2 2 347.462 3.136 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001234313209 1376804193 /nfs/dbraw/zinc/80/41/93/1376804193.db2.gz BMOVTMGCZLYKBE-QAPCUYQASA-N 2 2 340.471 3.144 20 30 EGEDLP C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001234313209 1376804196 /nfs/dbraw/zinc/80/41/96/1376804196.db2.gz BMOVTMGCZLYKBE-QAPCUYQASA-N 2 2 340.471 3.144 20 30 EGEDLP C[NH+](C)CC1CC[NH+](Cc2cc(Br)ccc2C#N)CC1 ZINC001141900692 1378391735 /nfs/dbraw/zinc/39/17/35/1378391735.db2.gz BVPKMHJTVPCFRE-UHFFFAOYSA-N 2 2 336.277 3.094 20 30 EGEDLP CCCCCCC[N@H+]1CC=C(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001159971995 1381954516 /nfs/dbraw/zinc/95/45/16/1381954516.db2.gz FOVURDZZZFNWPL-UHFFFAOYSA-N 2 2 346.519 3.451 20 30 EGEDLP CCCCCCC[N@@H+]1CC=C(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001159971995 1381954520 /nfs/dbraw/zinc/95/45/20/1381954520.db2.gz FOVURDZZZFNWPL-UHFFFAOYSA-N 2 2 346.519 3.451 20 30 EGEDLP Cc1[nH+]c2ccc(NC(=[NH2+])c3ccc(C(N)=O)cc3)cc2n1C(C)C ZINC001171256702 1384480458 /nfs/dbraw/zinc/48/04/58/1384480458.db2.gz LHIOEOXKFDEIJY-UHFFFAOYSA-N 2 2 335.411 3.062 20 30 EGEDLP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171528848 1384552398 /nfs/dbraw/zinc/55/23/98/1384552398.db2.gz VGKVTMFOBNTGHE-OAHLLOKOSA-N 2 2 328.460 3.407 20 30 EGEDLP Cc1ccc(N([C@@H](C)Cc2ccc(C#N)cc2)C2CC[NH2+]CC2)[nH+]c1 ZINC001172313474 1384767048 /nfs/dbraw/zinc/76/70/48/1384767048.db2.gz XMODTJFQGHWWTA-KRWDZBQOSA-N 2 2 334.467 3.451 20 30 EGEDLP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001317973154 1385593701 /nfs/dbraw/zinc/59/37/01/1385593701.db2.gz QURUJLULXLKXQL-ZWKOTPCHSA-N 2 2 332.492 3.017 20 30 EGEDLP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001317973154 1385593704 /nfs/dbraw/zinc/59/37/04/1385593704.db2.gz QURUJLULXLKXQL-ZWKOTPCHSA-N 2 2 332.492 3.017 20 30 EGEDLP C=C(Cl)C[NH2+]CCCCCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001178483872 1386231740 /nfs/dbraw/zinc/23/17/40/1386231740.db2.gz IUOZDWKAEXIZIH-UHFFFAOYSA-N 2 2 348.878 3.275 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001178752132 1386294379 /nfs/dbraw/zinc/29/43/79/1386294379.db2.gz HCZXKUNAUZUANW-BRWVUGGUSA-N 2 2 332.492 3.134 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001178752132 1386294380 /nfs/dbraw/zinc/29/43/80/1386294380.db2.gz HCZXKUNAUZUANW-BRWVUGGUSA-N 2 2 332.492 3.134 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178864589 1386331974 /nfs/dbraw/zinc/33/19/74/1386331974.db2.gz KJBUVJDUPZAXJK-QZTJIDSGSA-N 2 2 346.519 3.066 20 30 EGEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H]1C ZINC001178956960 1386360047 /nfs/dbraw/zinc/36/00/47/1386360047.db2.gz GHPIECBVTIJIFW-BZSNNMDCSA-N 2 2 332.492 3.016 20 30 EGEDLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CCOc2ccc(C#N)cc2)[nH+]1 ZINC001340938651 1390408830 /nfs/dbraw/zinc/40/88/30/1390408830.db2.gz AQWJLHGAGNLKFJ-SFHVURJKSA-N 2 2 336.439 3.217 20 30 EGEDLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CCOc2ccc(C#N)cc2)[nH+]1 ZINC001340938651 1390408831 /nfs/dbraw/zinc/40/88/31/1390408831.db2.gz AQWJLHGAGNLKFJ-SFHVURJKSA-N 2 2 336.439 3.217 20 30 EGEDLP C=CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001752142205 1440144703 /nfs/dbraw/zinc/14/47/03/1440144703.db2.gz HGZUHMBKZOJRQY-RDTXWAMCSA-N 2 2 326.444 3.112 20 30 EGEDLP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001752992775 1440260284 /nfs/dbraw/zinc/26/02/84/1440260284.db2.gz SKYUAQLAHFUHNL-ZWKOTPCHSA-N 2 2 346.519 3.204 20 30 EGEDLP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001752992775 1440260285 /nfs/dbraw/zinc/26/02/85/1440260285.db2.gz SKYUAQLAHFUHNL-ZWKOTPCHSA-N 2 2 346.519 3.204 20 30 EGEDLP C=C(C)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001753317756 1440360702 /nfs/dbraw/zinc/36/07/02/1440360702.db2.gz VLWFJCPLZHVIHO-MOPGFXCFSA-N 2 2 346.519 3.359 20 30 EGEDLP C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001753317756 1440360703 /nfs/dbraw/zinc/36/07/03/1440360703.db2.gz VLWFJCPLZHVIHO-MOPGFXCFSA-N 2 2 346.519 3.359 20 30 EGEDLP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001754627228 1440646654 /nfs/dbraw/zinc/64/66/54/1440646654.db2.gz GITHLUQPTRHSJR-QGZVFWFLSA-N 2 2 332.492 3.017 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001754874184 1440706172 /nfs/dbraw/zinc/70/61/72/1440706172.db2.gz NMWVOXSTCGUACW-RBUKOAKNSA-N 2 2 346.519 3.166 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001754874184 1440706173 /nfs/dbraw/zinc/70/61/73/1440706173.db2.gz NMWVOXSTCGUACW-RBUKOAKNSA-N 2 2 346.519 3.166 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001755142237 1440760970 /nfs/dbraw/zinc/76/09/70/1440760970.db2.gz OVQNZLSNJKJJAK-DLBZAZTESA-N 2 2 332.492 3.017 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001755142237 1440760971 /nfs/dbraw/zinc/76/09/71/1440760971.db2.gz OVQNZLSNJKJJAK-DLBZAZTESA-N 2 2 332.492 3.017 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001755142239 1440761069 /nfs/dbraw/zinc/76/10/69/1440761069.db2.gz OVQNZLSNJKJJAK-IRXDYDNUSA-N 2 2 332.492 3.017 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001755142239 1440761070 /nfs/dbraw/zinc/76/10/70/1440761070.db2.gz OVQNZLSNJKJJAK-IRXDYDNUSA-N 2 2 332.492 3.017 20 30 EGEDLP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3c(C)cc(C)[nH+]c3C)C[C@H]21 ZINC001755709874 1440903499 /nfs/dbraw/zinc/90/34/99/1440903499.db2.gz WODASCODCCQMLT-IPMKNSEASA-N 2 2 341.499 3.413 20 30 EGEDLP C=C(C)CC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001755737760 1440911234 /nfs/dbraw/zinc/91/12/34/1440911234.db2.gz MUELHWDQSUNULR-GOEBONIOSA-N 2 2 326.444 3.017 20 30 EGEDLP COc1cccc([C@@H](C[NH2+]Cc2ccc(C#N)cc2)[NH+]2CCCC2)c1 ZINC000052660165 214139556 /nfs/dbraw/zinc/13/95/56/214139556.db2.gz FTAMYEAQLXGFIM-OAQYLSRUSA-N 2 2 335.451 3.494 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCOc3ccccc3)CC2)cc1 ZINC000181403681 234175677 /nfs/dbraw/zinc/17/56/77/234175677.db2.gz WPVAZUAMGGVFNO-UHFFFAOYSA-N 2 2 335.451 3.191 20 30 EGEDLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(C#N)n(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000191348777 239058969 /nfs/dbraw/zinc/05/89/69/239058969.db2.gz VESNNERGTFPQNT-PXNSSMCTSA-N 2 2 336.483 3.382 20 30 EGEDLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(C#N)n(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000191348777 239058973 /nfs/dbraw/zinc/05/89/73/239058973.db2.gz VESNNERGTFPQNT-PXNSSMCTSA-N 2 2 336.483 3.382 20 30 EGEDLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(C#N)n(C)c2)CC[NH+]1Cc1ccccc1 ZINC000191348777 239058980 /nfs/dbraw/zinc/05/89/80/239058980.db2.gz VESNNERGTFPQNT-PXNSSMCTSA-N 2 2 336.483 3.382 20 30 EGEDLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(C#N)n(C)c2)CC[NH+]1Cc1ccccc1 ZINC000191348777 239058987 /nfs/dbraw/zinc/05/89/87/239058987.db2.gz VESNNERGTFPQNT-PXNSSMCTSA-N 2 2 336.483 3.382 20 30 EGEDLP COCC[N@H+](C)CC[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccccc1 ZINC000344231384 164131918 /nfs/dbraw/zinc/13/19/18/164131918.db2.gz LBAYDBQNBQQKSH-IBGZPJMESA-N 2 2 343.496 3.419 20 30 EGEDLP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)C[C@@H](C)O1 ZINC000159586276 225245107 /nfs/dbraw/zinc/24/51/07/225245107.db2.gz TVWYVKWBPRLJAC-HZPDHXFCSA-N 2 2 345.462 3.019 20 30 EGEDLP C[C@]1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCC[C@@H]1O ZINC000271876014 267261342 /nfs/dbraw/zinc/26/13/42/267261342.db2.gz OBWSJDRSQLGQOP-LEWJYISDSA-N 2 2 341.499 3.053 20 30 EGEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000515496328 268081038 /nfs/dbraw/zinc/08/10/38/268081038.db2.gz MSAKEAHUIRVPBI-SFHVURJKSA-N 2 2 331.423 3.276 20 30 EGEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000515496328 268081040 /nfs/dbraw/zinc/08/10/40/268081040.db2.gz MSAKEAHUIRVPBI-SFHVURJKSA-N 2 2 331.423 3.276 20 30 EGEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(C#N)cc3Br)CC[C@@H]21 ZINC000181149936 455295026 /nfs/dbraw/zinc/29/50/26/455295026.db2.gz BKNIJVKCJWFWAM-RDJZCZTQSA-N 2 2 348.288 3.237 20 30 EGEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(C#N)cc3Br)CC[C@@H]21 ZINC000181149936 455295027 /nfs/dbraw/zinc/29/50/27/455295027.db2.gz BKNIJVKCJWFWAM-RDJZCZTQSA-N 2 2 348.288 3.237 20 30 EGEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(C#N)cc3Br)CC[C@@H]21 ZINC000181149936 455295033 /nfs/dbraw/zinc/29/50/33/455295033.db2.gz BKNIJVKCJWFWAM-RDJZCZTQSA-N 2 2 348.288 3.237 20 30 EGEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3Br)CC[C@@H]21 ZINC000181149936 455295037 /nfs/dbraw/zinc/29/50/37/455295037.db2.gz BKNIJVKCJWFWAM-RDJZCZTQSA-N 2 2 348.288 3.237 20 30 EGEDLP CC[NH+]=C(NCCc1cccs1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000159981160 455420623 /nfs/dbraw/zinc/42/06/23/455420623.db2.gz ZJGXMFQXNRDEPD-RDJZCZTQSA-N 2 2 345.516 3.036 20 30 EGEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(OCCCC#N)c1 ZINC000091892481 454485774 /nfs/dbraw/zinc/48/57/74/454485774.db2.gz HLJVDRLAZSKYOG-MOPGFXCFSA-N 2 2 327.472 3.428 20 30 EGEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(OCCCC#N)c1 ZINC000091892481 454485776 /nfs/dbraw/zinc/48/57/76/454485776.db2.gz HLJVDRLAZSKYOG-MOPGFXCFSA-N 2 2 327.472 3.428 20 30 EGEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(OCCCC#N)c1 ZINC000091892481 454485782 /nfs/dbraw/zinc/48/57/82/454485782.db2.gz HLJVDRLAZSKYOG-MOPGFXCFSA-N 2 2 327.472 3.428 20 30 EGEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(OCCCC#N)c1 ZINC000091892481 454485786 /nfs/dbraw/zinc/48/57/86/454485786.db2.gz HLJVDRLAZSKYOG-MOPGFXCFSA-N 2 2 327.472 3.428 20 30 EGEDLP N#Cc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3Cl)CC2)cc1 ZINC000267322828 455539162 /nfs/dbraw/zinc/53/91/62/455539162.db2.gz ZIIVYNFHFBHJLY-UHFFFAOYSA-N 2 2 326.831 3.319 20 30 EGEDLP N#Cc1ccc(C[N@@H+]2CCCN(c3cc[nH+]cc3Cl)CC2)cc1 ZINC000267322828 455539166 /nfs/dbraw/zinc/53/91/66/455539166.db2.gz ZIIVYNFHFBHJLY-UHFFFAOYSA-N 2 2 326.831 3.319 20 30 EGEDLP C[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278745908 455846905 /nfs/dbraw/zinc/84/69/05/455846905.db2.gz WRRBFNZUJSOSKH-JOCHJYFZSA-N 2 2 349.478 3.281 20 30 EGEDLP C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278745908 455846909 /nfs/dbraw/zinc/84/69/09/455846909.db2.gz WRRBFNZUJSOSKH-JOCHJYFZSA-N 2 2 349.478 3.281 20 30 EGEDLP C[NH+](Cc1cccc(C#N)c1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278745908 455846913 /nfs/dbraw/zinc/84/69/13/455846913.db2.gz WRRBFNZUJSOSKH-JOCHJYFZSA-N 2 2 349.478 3.281 20 30 EGEDLP C[NH+](Cc1cccc(C#N)c1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000278745908 455846917 /nfs/dbraw/zinc/84/69/17/455846917.db2.gz WRRBFNZUJSOSKH-JOCHJYFZSA-N 2 2 349.478 3.281 20 30 EGEDLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cccc(C#N)c1 ZINC000272314303 455910486 /nfs/dbraw/zinc/91/04/86/455910486.db2.gz UOLFVESDCZFFNL-DNVCBOLYSA-N 2 2 335.455 3.267 20 30 EGEDLP COc1cccc([C@@H](CNC(=[NH2+])Nc2cc(F)ccc2F)[NH+](C)C)c1 ZINC000288756724 456104432 /nfs/dbraw/zinc/10/44/32/456104432.db2.gz RPPWZPVLLFPIIW-QGZVFWFLSA-N 2 2 348.397 3.003 20 30 EGEDLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)CC1 ZINC000277099117 456678862 /nfs/dbraw/zinc/67/88/62/456678862.db2.gz GKISAQJDCNUGPC-HNNXBMFYSA-N 2 2 336.277 3.237 20 30 EGEDLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)CC1 ZINC000277099117 456678867 /nfs/dbraw/zinc/67/88/67/456678867.db2.gz GKISAQJDCNUGPC-HNNXBMFYSA-N 2 2 336.277 3.237 20 30 EGEDLP O=C(Cc1c[nH+]cn1Cc1ccccc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000330335226 457029998 /nfs/dbraw/zinc/02/99/98/457029998.db2.gz RJPRBNYPICWYPU-MOPGFXCFSA-N 2 2 338.455 3.057 20 30 EGEDLP O=C(Cc1c[nH+]cn1Cc1ccccc1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000330335226 457030000 /nfs/dbraw/zinc/03/00/00/457030000.db2.gz RJPRBNYPICWYPU-MOPGFXCFSA-N 2 2 338.455 3.057 20 30 EGEDLP C=CCOc1ccccc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000357211887 457376671 /nfs/dbraw/zinc/37/66/71/457376671.db2.gz HMVJDPFUDUFJTP-QGZVFWFLSA-N 2 2 325.456 3.440 20 30 EGEDLP C=CCOc1ccccc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000357211887 457376681 /nfs/dbraw/zinc/37/66/81/457376681.db2.gz HMVJDPFUDUFJTP-QGZVFWFLSA-N 2 2 325.456 3.440 20 30 EGEDLP N#Cc1cccc(C2([NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)CC2)c1 ZINC000420930497 458403871 /nfs/dbraw/zinc/40/38/71/458403871.db2.gz FONWNIFGKUBSBF-UHFFFAOYSA-N 2 2 347.462 3.169 20 30 EGEDLP C=CCc1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc(OC)c1O ZINC000567899000 459187682 /nfs/dbraw/zinc/18/76/82/459187682.db2.gz KTWPWLNHNMAUDH-MSOLQXFVSA-N 2 2 330.472 3.236 20 30 EGEDLP C=CCc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc(OC)c1O ZINC000567899000 459187684 /nfs/dbraw/zinc/18/76/84/459187684.db2.gz KTWPWLNHNMAUDH-MSOLQXFVSA-N 2 2 330.472 3.236 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC000496458190 459199892 /nfs/dbraw/zinc/19/98/92/459199892.db2.gz FUOKHINKXHMPSR-RDJZCZTQSA-N 2 2 337.508 3.014 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595014469 459215430 /nfs/dbraw/zinc/21/54/30/459215430.db2.gz VUUYKOCQGLISNC-AWEZNQCLSA-N 2 2 333.432 3.295 20 30 EGEDLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3ccc(C#N)cn3)C2)s1 ZINC000574168996 459787755 /nfs/dbraw/zinc/78/77/55/459787755.db2.gz VNEWGAAFVNKHSO-KRWDZBQOSA-N 2 2 340.496 3.277 20 30 EGEDLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3ccc(C#N)cn3)C2)s1 ZINC000574168996 459787761 /nfs/dbraw/zinc/78/77/61/459787761.db2.gz VNEWGAAFVNKHSO-KRWDZBQOSA-N 2 2 340.496 3.277 20 30 EGEDLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3ccc(C#N)cn3)C2)s1 ZINC000574168996 459787764 /nfs/dbraw/zinc/78/77/64/459787764.db2.gz VNEWGAAFVNKHSO-KRWDZBQOSA-N 2 2 340.496 3.277 20 30 EGEDLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3ccc(C#N)cn3)C2)s1 ZINC000574168996 459787768 /nfs/dbraw/zinc/78/77/68/459787768.db2.gz VNEWGAAFVNKHSO-KRWDZBQOSA-N 2 2 340.496 3.277 20 30 EGEDLP CC[N@@H+](Cc1cccc(C#N)n1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000602481518 459960138 /nfs/dbraw/zinc/96/01/38/459960138.db2.gz MIEQDUUYLBLYTC-LJQANCHMSA-N 2 2 334.467 3.297 20 30 EGEDLP CC[N@H+](Cc1cccc(C#N)n1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000602481518 459960141 /nfs/dbraw/zinc/96/01/41/459960141.db2.gz MIEQDUUYLBLYTC-LJQANCHMSA-N 2 2 334.467 3.297 20 30 EGEDLP CC[NH+](Cc1cccc(C#N)n1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602481518 459960143 /nfs/dbraw/zinc/96/01/43/459960143.db2.gz MIEQDUUYLBLYTC-LJQANCHMSA-N 2 2 334.467 3.297 20 30 EGEDLP CC[NH+](Cc1cccc(C#N)n1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602481518 459960148 /nfs/dbraw/zinc/96/01/48/459960148.db2.gz MIEQDUUYLBLYTC-LJQANCHMSA-N 2 2 334.467 3.297 20 30 EGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000602615442 460023694 /nfs/dbraw/zinc/02/36/94/460023694.db2.gz CPCSMAKCAMUPLG-NLWGTHIKSA-N 2 2 341.499 3.195 20 30 EGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000602615442 460023702 /nfs/dbraw/zinc/02/37/02/460023702.db2.gz CPCSMAKCAMUPLG-NLWGTHIKSA-N 2 2 341.499 3.195 20 30 EGEDLP COC1CC[NH+](CC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000619508436 460371588 /nfs/dbraw/zinc/37/15/88/460371588.db2.gz WGEZCSZHUOFCPO-HXUWFJFHSA-N 2 2 327.472 3.026 20 30 EGEDLP C=C(C)[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccc(F)c(F)c1 ZINC000639058372 461697388 /nfs/dbraw/zinc/69/73/88/461697388.db2.gz LBVZAGWXHJXTIN-SFHVURJKSA-N 2 2 338.442 3.407 20 30 EGEDLP C=CCc1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc(OC)c1O ZINC000678234296 549435412 /nfs/dbraw/zinc/43/54/12/549435412.db2.gz DALKSCQQQMJFFB-KRWDZBQOSA-N 2 2 327.428 3.163 20 30 EGEDLP C=CCc1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc(OC)c1O ZINC000678234296 549435415 /nfs/dbraw/zinc/43/54/15/549435415.db2.gz DALKSCQQQMJFFB-KRWDZBQOSA-N 2 2 327.428 3.163 20 30 EGEDLP C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000728711488 574768234 /nfs/dbraw/zinc/76/82/34/574768234.db2.gz FUXZLQWLRHJGTI-YJBOKZPZSA-N 2 2 326.444 3.378 20 30 EGEDLP CC[C@H](C[NH2+]Cc1ccc(OC)c(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000742366762 576773915 /nfs/dbraw/zinc/77/39/15/576773915.db2.gz QCVOYZQXGWRRHY-OAQYLSRUSA-N 2 2 349.478 3.493 20 30 EGEDLP CC[C@H](C[NH2+]Cc1ccc(OC)c(C#N)c1)[N@H+]1CCc2ccccc2C1 ZINC000742366762 576773917 /nfs/dbraw/zinc/77/39/17/576773917.db2.gz QCVOYZQXGWRRHY-OAQYLSRUSA-N 2 2 349.478 3.493 20 30 EGEDLP CC[C@H](C)NC(=[NH2+])NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000183887304 1295155784 /nfs/dbraw/zinc/15/57/84/1295155784.db2.gz RZNCDMKAOLHLSY-SMDDNHRTSA-N 2 2 330.398 3.011 20 30 EGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(F)cc1Br ZINC000380910416 1297548315 /nfs/dbraw/zinc/54/83/15/1297548315.db2.gz JHKVNESWWRKHIG-GFCCVEGCSA-N 2 2 327.241 3.194 20 30 EGEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(F)cc1Br ZINC000380910416 1297548321 /nfs/dbraw/zinc/54/83/21/1297548321.db2.gz JHKVNESWWRKHIG-GFCCVEGCSA-N 2 2 327.241 3.194 20 30 EGEDLP N#Cc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)nc1 ZINC000877458951 1299314150 /nfs/dbraw/zinc/31/41/50/1299314150.db2.gz DNXMZBGGRBMKLX-RXVVDRJESA-N 2 2 332.451 3.411 20 30 EGEDLP N#Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)nc1 ZINC000877458951 1299314161 /nfs/dbraw/zinc/31/41/61/1299314161.db2.gz DNXMZBGGRBMKLX-RXVVDRJESA-N 2 2 332.451 3.411 20 30 EGEDLP C=CC[C@H](C)[C@H](C)[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000764675562 1302116314 /nfs/dbraw/zinc/11/63/14/1302116314.db2.gz FRNAAQPHQMRCFV-OALUTQOASA-N 2 2 345.531 3.398 20 30 EGEDLP CS[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000776163890 1304105141 /nfs/dbraw/zinc/10/51/41/1304105141.db2.gz WOYGWKWPHVYTFT-OALUTQOASA-N 2 2 329.513 3.396 20 30 EGEDLP C#CCOc1cccc(Cl)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000779164510 1304536658 /nfs/dbraw/zinc/53/66/58/1304536658.db2.gz SWOGCEBTSXSBSS-MAUKXSAKSA-N 2 2 332.875 3.268 20 30 EGEDLP C#CCOc1cccc(Cl)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000779164510 1304536662 /nfs/dbraw/zinc/53/66/62/1304536662.db2.gz SWOGCEBTSXSBSS-MAUKXSAKSA-N 2 2 332.875 3.268 20 30 EGEDLP C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000779164510 1304536663 /nfs/dbraw/zinc/53/66/63/1304536663.db2.gz SWOGCEBTSXSBSS-MAUKXSAKSA-N 2 2 332.875 3.268 20 30 EGEDLP C#CCOc1cccc(Cl)c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000779164510 1304536669 /nfs/dbraw/zinc/53/66/69/1304536669.db2.gz SWOGCEBTSXSBSS-MAUKXSAKSA-N 2 2 332.875 3.268 20 30 EGEDLP C=C(C)CC[NH+]1CCC2(CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)CC1 ZINC000957541726 1317438459 /nfs/dbraw/zinc/43/84/59/1317438459.db2.gz BKTCGOJIHBVXIB-UHFFFAOYSA-N 2 2 344.503 3.013 20 30 EGEDLP C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)c3c(C)cc(C)[nH+]c3C)C2)C1 ZINC000961207516 1319333781 /nfs/dbraw/zinc/33/37/81/1319333781.db2.gz GJQYKLGCXLYQOV-RBUKOAKNSA-N 2 2 341.499 3.367 20 30 EGEDLP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)c3c(C)cc(C)[nH+]c3C)C2)C1 ZINC000961207516 1319333788 /nfs/dbraw/zinc/33/37/88/1319333788.db2.gz GJQYKLGCXLYQOV-RBUKOAKNSA-N 2 2 341.499 3.367 20 30 EGEDLP C=CCC[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000947878191 1333288521 /nfs/dbraw/zinc/28/85/21/1333288521.db2.gz LVCCWPNXEVRCLI-WMZOPIPTSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000947878191 1333288522 /nfs/dbraw/zinc/28/85/22/1333288522.db2.gz LVCCWPNXEVRCLI-WMZOPIPTSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001039212349 1344926588 /nfs/dbraw/zinc/92/65/88/1344926588.db2.gz IUBXWNCLOSNQPQ-HNAYVOBHSA-N 2 2 338.455 3.066 20 30 EGEDLP C=CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001039212349 1344926592 /nfs/dbraw/zinc/92/65/92/1344926592.db2.gz IUBXWNCLOSNQPQ-HNAYVOBHSA-N 2 2 338.455 3.066 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001045935462 1346773232 /nfs/dbraw/zinc/77/32/32/1346773232.db2.gz NBKXHPRORHYCKI-HXUWFJFHSA-N 2 2 344.503 3.013 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001045935462 1346773233 /nfs/dbraw/zinc/77/32/33/1346773233.db2.gz NBKXHPRORHYCKI-HXUWFJFHSA-N 2 2 344.503 3.013 20 30 EGEDLP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001045969700 1346804971 /nfs/dbraw/zinc/80/49/71/1346804971.db2.gz XKFZCMINPKYHLY-AZUAARDMSA-N 2 2 344.503 3.115 20 30 EGEDLP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001045969700 1346804974 /nfs/dbraw/zinc/80/49/74/1346804974.db2.gz XKFZCMINPKYHLY-AZUAARDMSA-N 2 2 344.503 3.115 20 30 EGEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001052598967 1348590939 /nfs/dbraw/zinc/59/09/39/1348590939.db2.gz QJWMFQXNTYPIFH-SFHVURJKSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001052598967 1348590940 /nfs/dbraw/zinc/59/09/40/1348590940.db2.gz QJWMFQXNTYPIFH-SFHVURJKSA-N 2 2 338.455 3.033 20 30 EGEDLP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001099349603 1363766224 /nfs/dbraw/zinc/76/62/24/1363766224.db2.gz QOUPHNDOHVDWJD-MOPGFXCFSA-N 2 2 343.515 3.082 20 30 EGEDLP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001099349603 1363766228 /nfs/dbraw/zinc/76/62/28/1363766228.db2.gz QOUPHNDOHVDWJD-MOPGFXCFSA-N 2 2 343.515 3.082 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1CC ZINC001087571586 1359537309 /nfs/dbraw/zinc/53/73/09/1359537309.db2.gz BBWPOHPKYSXZIB-ZWKOTPCHSA-N 2 2 340.471 3.192 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1CC ZINC001087571586 1359537311 /nfs/dbraw/zinc/53/73/11/1359537311.db2.gz BBWPOHPKYSXZIB-ZWKOTPCHSA-N 2 2 340.471 3.192 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CC(C)(C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001101579715 1364632882 /nfs/dbraw/zinc/63/28/82/1364632882.db2.gz SFPRTNLAJJJEDM-INIZCTEOSA-N 2 2 346.519 3.161 20 30 EGEDLP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001104352437 1365983172 /nfs/dbraw/zinc/98/31/72/1365983172.db2.gz VYRKLUDPSLGFAG-TZMCWYRMSA-N 2 2 346.862 3.003 20 30 EGEDLP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001104436017 1366028150 /nfs/dbraw/zinc/02/81/50/1366028150.db2.gz TYFDSXITNVJBCM-CRAIPNDOSA-N 2 2 329.488 3.271 20 30 EGEDLP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[C@@H](C)n2cc[nH+]c2)CCC1 ZINC001105566203 1366534361 /nfs/dbraw/zinc/53/43/61/1366534361.db2.gz GOPNBIGWWBMGOU-QZTJIDSGSA-N 2 2 344.503 3.161 20 30 EGEDLP CCCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001202456566 1369776864 /nfs/dbraw/zinc/77/68/64/1369776864.db2.gz QYSADTYLCPTXKH-KRWDZBQOSA-N 2 2 346.519 3.381 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)CC[C@@H]1C ZINC001132457446 1375399820 /nfs/dbraw/zinc/39/98/20/1375399820.db2.gz LBNACVRXRWOOPG-ROUUACIJSA-N 2 2 346.519 3.068 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)CC[C@@H]1C ZINC001132457446 1375399824 /nfs/dbraw/zinc/39/98/24/1375399824.db2.gz LBNACVRXRWOOPG-ROUUACIJSA-N 2 2 346.519 3.068 20 30 EGEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C ZINC001133270603 1375886167 /nfs/dbraw/zinc/88/61/67/1375886167.db2.gz KNMBHOWKPORONW-SJLPKXTDSA-N 2 2 346.519 3.081 20 30 EGEDLP CCCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001134732976 1376684072 /nfs/dbraw/zinc/68/40/72/1376684072.db2.gz RQFFIJARJAJPPM-DLBZAZTESA-N 2 2 349.519 3.476 20 30 EGEDLP C#CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cc1OC ZINC001276576627 1378179954 /nfs/dbraw/zinc/17/99/54/1378179954.db2.gz KBBGOWNBPDIPSV-OAQYLSRUSA-N 2 2 342.483 3.015 20 30 EGEDLP C#CCOc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cc1OC ZINC001276576627 1378179956 /nfs/dbraw/zinc/17/99/56/1378179956.db2.gz KBBGOWNBPDIPSV-OAQYLSRUSA-N 2 2 342.483 3.015 20 30 EGEDLP C#CCOc1ccc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)cc1OC ZINC001276576627 1378179957 /nfs/dbraw/zinc/17/99/57/1378179957.db2.gz KBBGOWNBPDIPSV-OAQYLSRUSA-N 2 2 342.483 3.015 20 30 EGEDLP C#CCOc1ccc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)cc1OC ZINC001276576627 1378179959 /nfs/dbraw/zinc/17/99/59/1378179959.db2.gz KBBGOWNBPDIPSV-OAQYLSRUSA-N 2 2 342.483 3.015 20 30 EGEDLP C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155522200 1380464203 /nfs/dbraw/zinc/46/42/03/1380464203.db2.gz QUAYPESSPWLRPW-ZWKOTPCHSA-N 2 2 334.508 3.407 20 30 EGEDLP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155522200 1380464205 /nfs/dbraw/zinc/46/42/05/1380464205.db2.gz QUAYPESSPWLRPW-ZWKOTPCHSA-N 2 2 334.508 3.407 20 30 EGEDLP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001157880627 1381058764 /nfs/dbraw/zinc/05/87/64/1381058764.db2.gz LYONBNCFVWNECS-IAGOWNOFSA-N 2 2 332.492 3.010 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001157880627 1381058766 /nfs/dbraw/zinc/05/87/66/1381058766.db2.gz LYONBNCFVWNECS-IAGOWNOFSA-N 2 2 332.492 3.010 20 30 EGEDLP C=CCC[N@H+]1CC=C(CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001160423360 1382100176 /nfs/dbraw/zinc/10/01/76/1382100176.db2.gz QEENCMNVFOUHBG-IBGZPJMESA-N 2 2 344.503 3.185 20 30 EGEDLP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001160423360 1382100180 /nfs/dbraw/zinc/10/01/80/1382100180.db2.gz QEENCMNVFOUHBG-IBGZPJMESA-N 2 2 344.503 3.185 20 30 EGEDLP C=CC[N@H+]1CCC[C@H]1CNc1cc2cc(OC)c(OC)cc2c[nH+]1 ZINC001160957750 1382251011 /nfs/dbraw/zinc/25/10/11/1382251011.db2.gz RMBXLTBQFWIFMX-INIZCTEOSA-N 2 2 327.428 3.314 20 30 EGEDLP C=CC[N@@H+]1CCC[C@H]1CNc1cc2cc(OC)c(OC)cc2c[nH+]1 ZINC001160957750 1382251012 /nfs/dbraw/zinc/25/10/12/1382251012.db2.gz RMBXLTBQFWIFMX-INIZCTEOSA-N 2 2 327.428 3.314 20 30 EGEDLP CCCCCCC[N@H+]1CC=C(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001161559882 1382439577 /nfs/dbraw/zinc/43/95/77/1382439577.db2.gz OWUDLODJMFHNHA-UHFFFAOYSA-N 2 2 332.492 3.061 20 30 EGEDLP CCCCCCC[N@@H+]1CC=C(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001161559882 1382439579 /nfs/dbraw/zinc/43/95/79/1382439579.db2.gz OWUDLODJMFHNHA-UHFFFAOYSA-N 2 2 332.492 3.061 20 30 EGEDLP CC(C)[Si](C#C[NH2+]Cc1nnc2n1CCC[NH2+]C2)(C(C)C)C(C)C ZINC001163017812 1382949208 /nfs/dbraw/zinc/94/92/08/1382949208.db2.gz XQAFRLKTRVGWAP-UHFFFAOYSA-N 2 2 347.583 3.040 20 30 EGEDLP Cc1[nH+]c(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)ccc1CC#N ZINC001165306948 1383270355 /nfs/dbraw/zinc/27/03/55/1383270355.db2.gz KPDSZWTWNJYQLG-AWEZNQCLSA-N 2 2 338.377 3.109 20 30 EGEDLP C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170482556 1384328270 /nfs/dbraw/zinc/32/82/70/1384328270.db2.gz FUKBZLSIZBRKIU-KRWDZBQOSA-N 2 2 334.508 3.353 20 30 EGEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001714131123 1418934569 /nfs/dbraw/zinc/93/45/69/1418934569.db2.gz CYOQNPITZQBCMD-IRXDYDNUSA-N 2 2 340.471 3.273 20 30 EGEDLP C=CCCCCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001752323954 1440170869 /nfs/dbraw/zinc/17/08/69/1440170869.db2.gz RCZGMFASBPVKOL-SFHVURJKSA-N 2 2 346.519 3.254 20 30 EGEDLP C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001752323954 1440170870 /nfs/dbraw/zinc/17/08/70/1440170870.db2.gz RCZGMFASBPVKOL-SFHVURJKSA-N 2 2 346.519 3.254 20 30 EGEDLP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001755194773 1440776526 /nfs/dbraw/zinc/77/65/26/1440776526.db2.gz ZAFWAAXMIYWILZ-MRXNPFEDSA-N 2 2 326.444 3.066 20 30 EGEDLP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001755194773 1440776527 /nfs/dbraw/zinc/77/65/27/1440776527.db2.gz ZAFWAAXMIYWILZ-MRXNPFEDSA-N 2 2 326.444 3.066 20 30 EGEDLP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C(C)(C)C ZINC001755826171 1440927393 /nfs/dbraw/zinc/92/73/93/1440927393.db2.gz MGZIMUUDTLDZQX-DLBZAZTESA-N 2 2 334.508 3.167 20 30 EGEDLP CSC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000193810247 240318705 /nfs/dbraw/zinc/31/87/05/240318705.db2.gz DGFQOBIRIBASHV-UHFFFAOYSA-N 2 2 329.513 3.398 20 30 EGEDLP C[N@H+](Cc1ccc(C#N)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080990041 217347621 /nfs/dbraw/zinc/34/76/21/217347621.db2.gz DTQWJAYBJDLRDA-UHFFFAOYSA-N 2 2 334.467 3.092 20 30 EGEDLP C[N@@H+](Cc1ccc(C#N)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080990041 217347626 /nfs/dbraw/zinc/34/76/26/217347626.db2.gz DTQWJAYBJDLRDA-UHFFFAOYSA-N 2 2 334.467 3.092 20 30 EGEDLP C[C@@H](Cc1cccc(O)c1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344119061 164107912 /nfs/dbraw/zinc/10/79/12/164107912.db2.gz HGLILNIZWHEVPU-KRWDZBQOSA-N 2 2 349.478 3.449 20 30 EGEDLP CCO[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000449755094 267146740 /nfs/dbraw/zinc/14/67/40/267146740.db2.gz MDONDPKMTHNHLI-WOJBJXKFSA-N 2 2 327.472 3.070 20 30 EGEDLP C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420904103 267314609 /nfs/dbraw/zinc/31/46/09/267314609.db2.gz PDIQSMSNWKYRNZ-UHFFFAOYSA-N 2 2 335.451 3.022 20 30 EGEDLP C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420904103 267314614 /nfs/dbraw/zinc/31/46/14/267314614.db2.gz PDIQSMSNWKYRNZ-UHFFFAOYSA-N 2 2 335.451 3.022 20 30 EGEDLP C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420906404 267319242 /nfs/dbraw/zinc/31/92/42/267319242.db2.gz SOOVVRVRAYKOFA-UHFFFAOYSA-N 2 2 335.451 3.022 20 30 EGEDLP C[N@H+](Cc1cccc(C#N)c1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420906404 267319244 /nfs/dbraw/zinc/31/92/44/267319244.db2.gz SOOVVRVRAYKOFA-UHFFFAOYSA-N 2 2 335.451 3.022 20 30 EGEDLP N#Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)nc1 ZINC000519175511 268222574 /nfs/dbraw/zinc/22/25/74/268222574.db2.gz GHHSFYUKJNBLIW-QFIPXVFZSA-N 2 2 346.478 3.441 20 30 EGEDLP N#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)nc1 ZINC000519175511 268222577 /nfs/dbraw/zinc/22/25/77/268222577.db2.gz GHHSFYUKJNBLIW-QFIPXVFZSA-N 2 2 346.478 3.441 20 30 EGEDLP N#Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nc1 ZINC000519175511 268222580 /nfs/dbraw/zinc/22/25/80/268222580.db2.gz GHHSFYUKJNBLIW-QFIPXVFZSA-N 2 2 346.478 3.441 20 30 EGEDLP N#Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nc1 ZINC000519175511 268222583 /nfs/dbraw/zinc/22/25/83/268222583.db2.gz GHHSFYUKJNBLIW-QFIPXVFZSA-N 2 2 346.478 3.441 20 30 EGEDLP N#Cc1cccc(C2([NH2+]C3CC[NH+](Cc4ccccn4)CC3)CC2)c1 ZINC000272331622 268241386 /nfs/dbraw/zinc/24/13/86/268241386.db2.gz XWWTXOZTYDCZJB-UHFFFAOYSA-N 2 2 332.451 3.197 20 30 EGEDLP C[N@@H+]1CCC[C@H]2C[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000158533943 277083689 /nfs/dbraw/zinc/08/36/89/277083689.db2.gz ULBKZORHEBWVHD-WMZOPIPTSA-N 2 2 336.401 3.473 20 30 EGEDLP C[N@H+]1CCC[C@H]2C[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000158533943 277083691 /nfs/dbraw/zinc/08/36/91/277083691.db2.gz ULBKZORHEBWVHD-WMZOPIPTSA-N 2 2 336.401 3.473 20 30 EGEDLP C[NH+]1CCC[C@H]2C[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000158533943 277083693 /nfs/dbraw/zinc/08/36/93/277083693.db2.gz ULBKZORHEBWVHD-WMZOPIPTSA-N 2 2 336.401 3.473 20 30 EGEDLP C[NH+]1CCC[C@H]2C[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000158533943 277083695 /nfs/dbraw/zinc/08/36/95/277083695.db2.gz ULBKZORHEBWVHD-WMZOPIPTSA-N 2 2 336.401 3.473 20 30 EGEDLP C[N@@H+](Cc1cc(C#N)ccc1Br)C[C@@H]1CCC[NH+](C)C1 ZINC000191794243 455519890 /nfs/dbraw/zinc/51/98/90/455519890.db2.gz MWLFTWLHNDNPBS-CQSZACIVSA-N 2 2 336.277 3.094 20 30 EGEDLP C[N@H+](Cc1cc(C#N)ccc1Br)C[C@@H]1CCC[NH+](C)C1 ZINC000191794243 455519893 /nfs/dbraw/zinc/51/98/93/455519893.db2.gz MWLFTWLHNDNPBS-CQSZACIVSA-N 2 2 336.277 3.094 20 30 EGEDLP C[NH+](Cc1cc(C#N)ccc1Br)C[C@@H]1CCC[N@H+](C)C1 ZINC000191794243 455519896 /nfs/dbraw/zinc/51/98/96/455519896.db2.gz MWLFTWLHNDNPBS-CQSZACIVSA-N 2 2 336.277 3.094 20 30 EGEDLP C[NH+](Cc1cc(C#N)ccc1Br)C[C@@H]1CCC[N@@H+](C)C1 ZINC000191794243 455519900 /nfs/dbraw/zinc/51/99/00/455519900.db2.gz MWLFTWLHNDNPBS-CQSZACIVSA-N 2 2 336.277 3.094 20 30 EGEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])Nc1ccc(OC)cc1)c1ccco1 ZINC000104177976 454576176 /nfs/dbraw/zinc/57/61/76/454576176.db2.gz SKUSUVGFSOHCPZ-INIZCTEOSA-N 2 2 330.432 3.098 20 30 EGEDLP C[C@@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C[N@@H+]1C1CC1 ZINC000151059704 454931686 /nfs/dbraw/zinc/93/16/86/454931686.db2.gz PFMIZBAXVCHCNA-APWZRJJASA-N 2 2 349.482 3.179 20 30 EGEDLP C[C@@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C[N@H+]1C1CC1 ZINC000151059704 454931689 /nfs/dbraw/zinc/93/16/89/454931689.db2.gz PFMIZBAXVCHCNA-APWZRJJASA-N 2 2 349.482 3.179 20 30 EGEDLP C#CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000116384810 455054022 /nfs/dbraw/zinc/05/40/22/455054022.db2.gz GLHUTUHCBBQYAU-GCJKJVERSA-N 2 2 349.478 3.094 20 30 EGEDLP C#CCOc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000116384810 455054026 /nfs/dbraw/zinc/05/40/26/455054026.db2.gz GLHUTUHCBBQYAU-GCJKJVERSA-N 2 2 349.478 3.094 20 30 EGEDLP COc1cc(C[NH+](C)[C@@H](C)CC#N)cc(C[N@H+](C)[C@@H](C)CC#N)c1 ZINC000292681075 455730761 /nfs/dbraw/zinc/73/07/61/455730761.db2.gz RCEAUNIXZXXCJI-HOTGVXAUSA-N 2 2 328.460 3.163 20 30 EGEDLP COc1cc(C[NH+](C)[C@@H](C)CC#N)cc(C[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000292681075 455730767 /nfs/dbraw/zinc/73/07/67/455730767.db2.gz RCEAUNIXZXXCJI-HOTGVXAUSA-N 2 2 328.460 3.163 20 30 EGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCCO1 ZINC000271948212 455802485 /nfs/dbraw/zinc/80/24/85/455802485.db2.gz YYIIIAFOKUFAOC-UZLBHIALSA-N 2 2 327.472 3.070 20 30 EGEDLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nccs1 ZINC000186726969 455828815 /nfs/dbraw/zinc/82/88/15/455828815.db2.gz DCYTVHBEGIQNGR-HNNXBMFYSA-N 2 2 340.496 3.372 20 30 EGEDLP COc1ccc(C[NH2+]CCc2cc[nH+]cc2C)cc1OCCCC#N ZINC000270008750 455856162 /nfs/dbraw/zinc/85/61/62/455856162.db2.gz TWEPULVOWZQRHU-UHFFFAOYSA-N 2 2 339.439 3.414 20 30 EGEDLP C[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[NH+]1CCC(C)CC1 ZINC000285989193 455955485 /nfs/dbraw/zinc/95/54/85/455955485.db2.gz IAUDUPNFYBXVTG-SFHVURJKSA-N 2 2 340.515 3.237 20 30 EGEDLP C=CCC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccco1 ZINC000286198087 455999000 /nfs/dbraw/zinc/99/90/00/455999000.db2.gz RNJGSZUBNROKDZ-SFHVURJKSA-N 2 2 340.471 3.224 20 30 EGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337282004 456343049 /nfs/dbraw/zinc/34/30/49/456343049.db2.gz WXGMRWDJZDPDLN-QGZVFWFLSA-N 2 2 349.544 3.069 20 30 EGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337282004 456343053 /nfs/dbraw/zinc/34/30/53/456343053.db2.gz WXGMRWDJZDPDLN-QGZVFWFLSA-N 2 2 349.544 3.069 20 30 EGEDLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329821806 456946160 /nfs/dbraw/zinc/94/61/60/456946160.db2.gz APYAFAAHSKEULX-QLFBSQMISA-N 2 2 332.492 3.325 20 30 EGEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000330243118 457010000 /nfs/dbraw/zinc/01/00/00/457010000.db2.gz CLBPMDPHGUKKNU-IRXDYDNUSA-N 2 2 347.507 3.218 20 30 EGEDLP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCCC[C@H]2c2[nH+]ccn2CC)C1 ZINC000330307201 457024628 /nfs/dbraw/zinc/02/46/28/457024628.db2.gz RZBDISICGAICPB-SJORKVTESA-N 2 2 347.507 3.076 20 30 EGEDLP CCC[N@H+]1CC[C@H](CNC(=O)N2CCCC[C@H]2c2[nH+]ccn2CC)C1 ZINC000330307201 457024632 /nfs/dbraw/zinc/02/46/32/457024632.db2.gz RZBDISICGAICPB-SJORKVTESA-N 2 2 347.507 3.076 20 30 EGEDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360838321 457377121 /nfs/dbraw/zinc/37/71/21/457377121.db2.gz UBTQOPOLFYCMER-PZJWPPBQSA-N 2 2 341.499 3.272 20 30 EGEDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360838321 457377128 /nfs/dbraw/zinc/37/71/28/457377128.db2.gz UBTQOPOLFYCMER-PZJWPPBQSA-N 2 2 341.499 3.272 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)CC1 ZINC000361222348 457652788 /nfs/dbraw/zinc/65/27/88/457652788.db2.gz YOAZXPMQVGDJBZ-CQSZACIVSA-N 2 2 327.472 3.217 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420356753 458398533 /nfs/dbraw/zinc/39/85/33/458398533.db2.gz GXVSXXJCBZNPCU-QGZVFWFLSA-N 2 2 347.528 3.400 20 30 EGEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000437245705 458438603 /nfs/dbraw/zinc/43/86/03/458438603.db2.gz LERPFJWGNHGDRW-KCLUMXDGSA-N 2 2 328.500 3.468 20 30 EGEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000437245705 458438607 /nfs/dbraw/zinc/43/86/07/458438607.db2.gz LERPFJWGNHGDRW-KCLUMXDGSA-N 2 2 328.500 3.468 20 30 EGEDLP C(#CC[N@@H+]1CCc2sccc2C1)C[NH+]1CCc2sccc2C1 ZINC000530360502 458755278 /nfs/dbraw/zinc/75/52/78/458755278.db2.gz HSTONQRDPNTAJF-UHFFFAOYSA-N 2 2 328.506 3.229 20 30 EGEDLP C(#CC[N@H+]1CCc2sccc2C1)C[NH+]1CCc2sccc2C1 ZINC000530360502 458755285 /nfs/dbraw/zinc/75/52/85/458755285.db2.gz HSTONQRDPNTAJF-UHFFFAOYSA-N 2 2 328.506 3.229 20 30 EGEDLP N#Cc1ccc(N2CCC([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000594522538 459079889 /nfs/dbraw/zinc/07/98/89/459079889.db2.gz ZLRTYNYBUCLDHX-RTWAWAEBSA-N 2 2 338.499 3.134 20 30 EGEDLP N#Cc1ccc(N2CCC([NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000594522538 459079893 /nfs/dbraw/zinc/07/98/93/459079893.db2.gz ZLRTYNYBUCLDHX-RTWAWAEBSA-N 2 2 338.499 3.134 20 30 EGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)c1cccc(CO)c1 ZINC000593723507 459963582 /nfs/dbraw/zinc/96/35/82/459963582.db2.gz WTKMPUFDVIAONY-KRWDZBQOSA-N 2 2 349.478 3.366 20 30 EGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000602553131 459993463 /nfs/dbraw/zinc/99/34/63/459993463.db2.gz VOQBAWFRFXATIK-QZTJIDSGSA-N 2 2 329.488 3.195 20 30 EGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000602553131 459993470 /nfs/dbraw/zinc/99/34/70/459993470.db2.gz VOQBAWFRFXATIK-QZTJIDSGSA-N 2 2 329.488 3.195 20 30 EGEDLP Cc1ccc([C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)[NH+]2CCCC2)cc1 ZINC000598720662 460006103 /nfs/dbraw/zinc/00/61/03/460006103.db2.gz PERQSPBVDNCHJM-RTBURBONSA-N 2 2 329.488 3.022 20 30 EGEDLP Cc1cc(Br)cn2cc(CC[NH2+]C[C@@H](C)CCC#N)[nH+]c12 ZINC000602611770 460022443 /nfs/dbraw/zinc/02/24/43/460022443.db2.gz FPOUGBPZVBPEPA-LBPRGKRZSA-N 2 2 349.276 3.477 20 30 EGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3cccc4n[nH]cc43)CC2)c1 ZINC000598982666 460116286 /nfs/dbraw/zinc/11/62/86/460116286.db2.gz XEZOKIUFPOGRIG-UHFFFAOYSA-N 2 2 345.450 3.189 20 30 EGEDLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H](C)c3cccc(C#N)c3)c2cc1C ZINC000611386856 460350169 /nfs/dbraw/zinc/35/01/69/460350169.db2.gz AXPJGJYCBHYIDK-QFBILLFUSA-N 2 2 348.450 3.237 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652354351 461149502 /nfs/dbraw/zinc/14/95/02/461149502.db2.gz URLFNSDYHZAIJA-NVXWUHKLSA-N 2 2 347.528 3.353 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652354351 461149510 /nfs/dbraw/zinc/14/95/10/461149510.db2.gz URLFNSDYHZAIJA-NVXWUHKLSA-N 2 2 347.528 3.353 20 30 EGEDLP C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000728712882 574767759 /nfs/dbraw/zinc/76/77/59/574767759.db2.gz BVNITEIBBCTJKE-YLJYHZDGSA-N 2 2 335.451 3.342 20 30 EGEDLP C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000728712882 574767760 /nfs/dbraw/zinc/76/77/60/574767760.db2.gz BVNITEIBBCTJKE-YLJYHZDGSA-N 2 2 335.451 3.342 20 30 EGEDLP CCc1cccc(NC(=[NH2+])NC[C@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000104173556 1293018328 /nfs/dbraw/zinc/01/83/28/1293018328.db2.gz LEXHKNSQJZHBKX-AWEZNQCLSA-N 2 2 342.512 3.484 20 30 EGEDLP CCc1cccc(NC(=[NH2+])NC[C@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000104173556 1293018337 /nfs/dbraw/zinc/01/83/37/1293018337.db2.gz LEXHKNSQJZHBKX-AWEZNQCLSA-N 2 2 342.512 3.484 20 30 EGEDLP CCc1ccc([C@H](CNC(=[NH2+])Nc2ccc(OC)cc2)[NH+](C)C)cc1 ZINC000104155488 1293018574 /nfs/dbraw/zinc/01/85/74/1293018574.db2.gz FTNZYTTVXMZJOU-IBGZPJMESA-N 2 2 340.471 3.287 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000184900673 1295228180 /nfs/dbraw/zinc/22/81/80/1295228180.db2.gz KHDJNAJXUXUJED-GOSISDBHSA-N 2 2 331.504 3.152 20 30 EGEDLP [NH2+]=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCCCC1 ZINC000303900871 1296878029 /nfs/dbraw/zinc/87/80/29/1296878029.db2.gz SKMPPYAEVSLBFD-QGZVFWFLSA-N 2 2 334.895 3.278 20 30 EGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CC[C@H](C)C[C@H]1n1cncn1)C(C)C ZINC000340472281 1297313889 /nfs/dbraw/zinc/31/38/89/1297313889.db2.gz IAKUTKFZEDUQEW-MTQWCTHYSA-N 2 2 345.535 3.296 20 30 EGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+]2CCC[C@@H]2C)c1=S ZINC000751933251 1299657640 /nfs/dbraw/zinc/65/76/40/1299657640.db2.gz JFBDGCTYFMNVOL-INIZCTEOSA-N 2 2 349.548 3.070 20 30 EGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+]2CCC[C@@H]2C)c1=S ZINC000751933251 1299657644 /nfs/dbraw/zinc/65/76/44/1299657644.db2.gz JFBDGCTYFMNVOL-INIZCTEOSA-N 2 2 349.548 3.070 20 30 EGEDLP CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000878252139 1299866615 /nfs/dbraw/zinc/86/66/15/1299866615.db2.gz COYMNNQXSUFDSG-XLIONFOSSA-N 2 2 336.439 3.030 20 30 EGEDLP CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000878252139 1299866629 /nfs/dbraw/zinc/86/66/29/1299866629.db2.gz COYMNNQXSUFDSG-XLIONFOSSA-N 2 2 336.439 3.030 20 30 EGEDLP CS[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000776163894 1304104662 /nfs/dbraw/zinc/10/46/62/1304104662.db2.gz WOYGWKWPHVYTFT-RTBURBONSA-N 2 2 329.513 3.396 20 30 EGEDLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cn1 ZINC000776730327 1304188992 /nfs/dbraw/zinc/18/89/92/1304188992.db2.gz QJPJWZBSWCSRGL-ZDUSSCGKSA-N 2 2 335.386 3.437 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000813327040 1318533744 /nfs/dbraw/zinc/53/37/44/1318533744.db2.gz YOSPZKDUVIEXIU-NQIIRXRSSA-N 2 2 327.516 3.280 20 30 EGEDLP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817943564 1319470310 /nfs/dbraw/zinc/47/03/10/1319470310.db2.gz VMGYSBKCUVYLGW-IERDGZPVSA-N 2 2 337.467 3.115 20 30 EGEDLP C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000948372317 1333498970 /nfs/dbraw/zinc/49/89/70/1333498970.db2.gz BZCHJQXJCUHITC-GOSISDBHSA-N 2 2 340.471 3.145 20 30 EGEDLP C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000948372317 1333498971 /nfs/dbraw/zinc/49/89/71/1333498971.db2.gz BZCHJQXJCUHITC-GOSISDBHSA-N 2 2 340.471 3.145 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001054204839 1349205960 /nfs/dbraw/zinc/20/59/60/1349205960.db2.gz FGSSNSILRMIIHM-ICSRJNTNSA-N 2 2 344.503 3.115 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001054204839 1349205965 /nfs/dbraw/zinc/20/59/65/1349205965.db2.gz FGSSNSILRMIIHM-ICSRJNTNSA-N 2 2 344.503 3.115 20 30 EGEDLP C=CCC[N@@H+]1Cc2ccc(CNC(=O)c3cccc4[nH+]ccn43)cc2C1 ZINC001054273797 1349274191 /nfs/dbraw/zinc/27/41/91/1349274191.db2.gz AYLWVBXEBCJZBI-UHFFFAOYSA-N 2 2 346.434 3.156 20 30 EGEDLP C=CCC[N@H+]1Cc2ccc(CNC(=O)c3cccc4[nH+]ccn43)cc2C1 ZINC001054273797 1349274193 /nfs/dbraw/zinc/27/41/93/1349274193.db2.gz AYLWVBXEBCJZBI-UHFFFAOYSA-N 2 2 346.434 3.156 20 30 EGEDLP C=C(C)CC[N@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001071611128 1354796466 /nfs/dbraw/zinc/79/64/66/1354796466.db2.gz ZMYAFCTYFMBJCE-GOEBONIOSA-N 2 2 326.444 3.112 20 30 EGEDLP C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001071611128 1354796469 /nfs/dbraw/zinc/79/64/69/1354796469.db2.gz ZMYAFCTYFMBJCE-GOEBONIOSA-N 2 2 326.444 3.112 20 30 EGEDLP CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC001184274978 1387422213 /nfs/dbraw/zinc/42/22/13/1387422213.db2.gz UXUHYLRLNCFKQV-ROUUACIJSA-N 2 2 348.535 3.387 20 30 EGEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001098903405 1363512940 /nfs/dbraw/zinc/51/29/40/1363512940.db2.gz MTMAKKZZCMNWEB-JXFKEZNVSA-N 2 2 338.455 3.113 20 30 EGEDLP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001098903405 1363512942 /nfs/dbraw/zinc/51/29/42/1363512942.db2.gz MTMAKKZZCMNWEB-JXFKEZNVSA-N 2 2 338.455 3.113 20 30 EGEDLP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001099359089 1363771605 /nfs/dbraw/zinc/77/16/05/1363771605.db2.gz MVMGJOHZIBMIQT-SFHVURJKSA-N 2 2 346.519 3.236 20 30 EGEDLP C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001099359089 1363771606 /nfs/dbraw/zinc/77/16/06/1363771606.db2.gz MVMGJOHZIBMIQT-SFHVURJKSA-N 2 2 346.519 3.236 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102456381 1365065740 /nfs/dbraw/zinc/06/57/40/1365065740.db2.gz XTPBGMLYOMJAOD-KZNAEPCWSA-N 2 2 348.535 3.243 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102456381 1365065744 /nfs/dbraw/zinc/06/57/44/1365065744.db2.gz XTPBGMLYOMJAOD-KZNAEPCWSA-N 2 2 348.535 3.243 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102456381 1365065747 /nfs/dbraw/zinc/06/57/47/1365065747.db2.gz XTPBGMLYOMJAOD-KZNAEPCWSA-N 2 2 348.535 3.243 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102456381 1365065752 /nfs/dbraw/zinc/06/57/52/1365065752.db2.gz XTPBGMLYOMJAOD-KZNAEPCWSA-N 2 2 348.535 3.243 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102456382 1365065835 /nfs/dbraw/zinc/06/58/35/1365065835.db2.gz XTPBGMLYOMJAOD-RCCFBDPRSA-N 2 2 348.535 3.243 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102456382 1365065839 /nfs/dbraw/zinc/06/58/39/1365065839.db2.gz XTPBGMLYOMJAOD-RCCFBDPRSA-N 2 2 348.535 3.243 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102456382 1365065846 /nfs/dbraw/zinc/06/58/46/1365065846.db2.gz XTPBGMLYOMJAOD-RCCFBDPRSA-N 2 2 348.535 3.243 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102456382 1365065849 /nfs/dbraw/zinc/06/58/49/1365065849.db2.gz XTPBGMLYOMJAOD-RCCFBDPRSA-N 2 2 348.535 3.243 20 30 EGEDLP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[C@H](C)n2cc[nH+]c2)CCC1 ZINC001105566205 1366534297 /nfs/dbraw/zinc/53/42/97/1366534297.db2.gz GOPNBIGWWBMGOU-ZWKOTPCHSA-N 2 2 344.503 3.161 20 30 EGEDLP C=CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001105570404 1366537912 /nfs/dbraw/zinc/53/79/12/1366537912.db2.gz OUZVOMYOZNUXPR-QGZVFWFLSA-N 2 2 344.503 3.059 20 30 EGEDLP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001110707847 1367940557 /nfs/dbraw/zinc/94/05/57/1367940557.db2.gz XPPMGUDBJDZBQB-MLHJIOFPSA-N 2 2 344.503 3.003 20 30 EGEDLP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001110707847 1367940561 /nfs/dbraw/zinc/94/05/61/1367940561.db2.gz XPPMGUDBJDZBQB-MLHJIOFPSA-N 2 2 344.503 3.003 20 30 EGEDLP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194448549 1368263821 /nfs/dbraw/zinc/26/38/21/1368263821.db2.gz HAWIJEDURHPDFY-GOSISDBHSA-N 2 2 334.508 3.166 20 30 EGEDLP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194448549 1368263827 /nfs/dbraw/zinc/26/38/27/1368263827.db2.gz HAWIJEDURHPDFY-GOSISDBHSA-N 2 2 334.508 3.166 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001111731843 1368433139 /nfs/dbraw/zinc/43/31/39/1368433139.db2.gz PYPJXHYMVNAWAT-PXNSSMCTSA-N 2 2 346.519 3.283 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001111731843 1368433140 /nfs/dbraw/zinc/43/31/40/1368433140.db2.gz PYPJXHYMVNAWAT-PXNSSMCTSA-N 2 2 346.519 3.283 20 30 EGEDLP CCCCCCC[N@@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001197283336 1368779608 /nfs/dbraw/zinc/77/96/08/1368779608.db2.gz KJSFGCIZUVHTST-GOSISDBHSA-N 2 2 334.508 3.339 20 30 EGEDLP CCCCCCC[N@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001197283336 1368779609 /nfs/dbraw/zinc/77/96/09/1368779609.db2.gz KJSFGCIZUVHTST-GOSISDBHSA-N 2 2 334.508 3.339 20 30 EGEDLP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001112537376 1368919381 /nfs/dbraw/zinc/91/93/81/1368919381.db2.gz CQWZWSXFYHNAGO-HBFSDRIKSA-N 2 2 344.503 3.019 20 30 EGEDLP CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C12CCC2 ZINC001203242815 1370036884 /nfs/dbraw/zinc/03/68/84/1370036884.db2.gz XDVUUWJWWSOTQO-ROUUACIJSA-N 2 2 346.519 3.261 20 30 EGEDLP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001205500504 1370773396 /nfs/dbraw/zinc/77/33/96/1370773396.db2.gz YTZYDKDBYGXCQU-LJQANCHMSA-N 2 2 346.519 3.265 20 30 EGEDLP C[C@@H]1CC[N@H+](Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)C[C@H]1[NH3+] ZINC001206036741 1370945493 /nfs/dbraw/zinc/94/54/93/1370945493.db2.gz PDXINNDCUNEOHN-IIBYNOLFSA-N 2 2 334.467 3.495 20 30 EGEDLP C[C@@H]1CC[N@@H+](Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)C[C@H]1[NH3+] ZINC001206036741 1370945496 /nfs/dbraw/zinc/94/54/96/1370945496.db2.gz PDXINNDCUNEOHN-IIBYNOLFSA-N 2 2 334.467 3.495 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001206238155 1371000132 /nfs/dbraw/zinc/00/01/32/1371000132.db2.gz JAANYHDMOPRREM-NVXWUHKLSA-N 2 2 344.503 3.013 20 30 EGEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001208386590 1371747003 /nfs/dbraw/zinc/74/70/03/1371747003.db2.gz FTVZBBRNOZBNDT-MSOLQXFVSA-N 2 2 332.492 3.017 20 30 EGEDLP C=CCCC[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001209166197 1372021135 /nfs/dbraw/zinc/02/11/35/1372021135.db2.gz XUSDYNJERCNRED-INIZCTEOSA-N 2 2 337.508 3.016 20 30 EGEDLP C=CCCC[NH+]1CCC([N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001209166197 1372021139 /nfs/dbraw/zinc/02/11/39/1372021139.db2.gz XUSDYNJERCNRED-INIZCTEOSA-N 2 2 337.508 3.016 20 30 EGEDLP C=CCCCCCC[NH+]1CCC[C@]2(C1)COCC[N@@H+](CCOC)C2 ZINC001209436307 1372105126 /nfs/dbraw/zinc/10/51/26/1372105126.db2.gz SXMLFFWBIRGBNH-HXUWFJFHSA-N 2 2 338.536 3.184 20 30 EGEDLP C=CCCCCCC[NH+]1CCC[C@]2(C1)COCC[N@H+](CCOC)C2 ZINC001209436307 1372105130 /nfs/dbraw/zinc/10/51/30/1372105130.db2.gz SXMLFFWBIRGBNH-HXUWFJFHSA-N 2 2 338.536 3.184 20 30 EGEDLP C=CCCCCCC[N@H+]1CCC[C@]2(C1)COCC[NH+](CCOC)C2 ZINC001209436307 1372105132 /nfs/dbraw/zinc/10/51/32/1372105132.db2.gz SXMLFFWBIRGBNH-HXUWFJFHSA-N 2 2 338.536 3.184 20 30 EGEDLP C=CCCCCCC[N@@H+]1CCC[C@]2(C1)COCC[NH+](CCOC)C2 ZINC001209436307 1372105136 /nfs/dbraw/zinc/10/51/36/1372105136.db2.gz SXMLFFWBIRGBNH-HXUWFJFHSA-N 2 2 338.536 3.184 20 30 EGEDLP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001226972987 1375375613 /nfs/dbraw/zinc/37/56/13/1375375613.db2.gz JUJSAVQSFUKYJK-KZNAEPCWSA-N 2 2 332.492 3.063 20 30 EGEDLP CCCCCCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132875178 1375616732 /nfs/dbraw/zinc/61/67/32/1375616732.db2.gz UNZINSDCDUDXRN-MSOLQXFVSA-N 2 2 348.535 3.387 20 30 EGEDLP CCCCCCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132875178 1375616746 /nfs/dbraw/zinc/61/67/46/1375616746.db2.gz UNZINSDCDUDXRN-MSOLQXFVSA-N 2 2 348.535 3.387 20 30 EGEDLP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001133021085 1375716690 /nfs/dbraw/zinc/71/66/90/1375716690.db2.gz IPMQDIGHODRMCK-MOPGFXCFSA-N 2 2 346.519 3.094 20 30 EGEDLP C#Cc1cccc(C[NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)c1 ZINC001231657999 1376297573 /nfs/dbraw/zinc/29/75/73/1376297573.db2.gz WYBRLBDRWXTUGQ-UHFFFAOYSA-N 2 2 348.494 3.032 20 30 EGEDLP C#Cc1cccc(C[NH+]2CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC2)c1 ZINC001231657999 1376297581 /nfs/dbraw/zinc/29/75/81/1376297581.db2.gz WYBRLBDRWXTUGQ-UHFFFAOYSA-N 2 2 348.494 3.032 20 30 EGEDLP Cc1cc(N2CC[NH+](Cc3cc(C#N)ccn3)CC2)c2ccccc2[nH+]1 ZINC001232475832 1376466652 /nfs/dbraw/zinc/46/66/52/1376466652.db2.gz TVQBTPBOPVLKEG-UHFFFAOYSA-N 2 2 343.434 3.132 20 30 EGEDLP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135097751 1376896316 /nfs/dbraw/zinc/89/63/16/1376896316.db2.gz PRAAQVIDGLTKFN-DLBZAZTESA-N 2 2 340.471 3.325 20 30 EGEDLP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135840102 1377228513 /nfs/dbraw/zinc/22/85/13/1377228513.db2.gz CIPFPDKDTAOTAB-HUUCEWRRSA-N 2 2 346.862 3.111 20 30 EGEDLP C=CCCCCC[NH2+]CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001158061987 1381117249 /nfs/dbraw/zinc/11/72/49/1381117249.db2.gz MSMRZGMYIVRGSH-UHFFFAOYSA-N 2 2 328.460 3.099 20 30 EGEDLP C=CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001158128762 1381137066 /nfs/dbraw/zinc/13/70/66/1381137066.db2.gz JRFPIYCCZBZOHX-QGZVFWFLSA-N 2 2 340.471 3.456 20 30 EGEDLP C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001158128762 1381137071 /nfs/dbraw/zinc/13/70/71/1381137071.db2.gz JRFPIYCCZBZOHX-QGZVFWFLSA-N 2 2 340.471 3.456 20 30 EGEDLP N#Cc1ccc2cc[nH+]c(NCC3(c4cccnc4)CC[NH2+]CC3)c2c1 ZINC001162036073 1382610099 /nfs/dbraw/zinc/61/00/99/1382610099.db2.gz HFUFGAKOYQGRTC-UHFFFAOYSA-N 2 2 343.434 3.235 20 30 EGEDLP N#CCC1CCC([NH2+]C2CC[NH+](Cc3ccc(O)cc3)CC2)CC1 ZINC001173333872 1384960970 /nfs/dbraw/zinc/96/09/70/1384960970.db2.gz NLCNLTLNYDQYBP-UHFFFAOYSA-N 2 2 327.472 3.419 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CCCC[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001176810844 1385710375 /nfs/dbraw/zinc/71/03/75/1385710375.db2.gz QQWPCSHKOHKUSM-ZWKOTPCHSA-N 2 2 334.508 3.283 20 30 EGEDLP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001177341990 1385921729 /nfs/dbraw/zinc/92/17/29/1385921729.db2.gz GPOVTSWKNZCYSE-QZTJIDSGSA-N 2 2 344.503 3.088 20 30 EGEDLP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001177341990 1385921731 /nfs/dbraw/zinc/92/17/31/1385921731.db2.gz GPOVTSWKNZCYSE-QZTJIDSGSA-N 2 2 344.503 3.088 20 30 EGEDLP COc1cc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)ccc1C#N ZINC001321219331 1386845083 /nfs/dbraw/zinc/84/50/83/1386845083.db2.gz CPFMMNGIINZKPX-GOSISDBHSA-N 2 2 336.439 3.347 20 30 EGEDLP COc1cc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)ccc1C#N ZINC001321219331 1386845090 /nfs/dbraw/zinc/84/50/90/1386845090.db2.gz CPFMMNGIINZKPX-GOSISDBHSA-N 2 2 336.439 3.347 20 30 EGEDLP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001713132247 1417707794 /nfs/dbraw/zinc/70/77/94/1417707794.db2.gz WENZRVDMDGXVDX-AWEZNQCLSA-N 2 2 346.862 3.099 20 30 EGEDLP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001713132247 1417707797 /nfs/dbraw/zinc/70/77/97/1417707797.db2.gz WENZRVDMDGXVDX-AWEZNQCLSA-N 2 2 346.862 3.099 20 30 EGEDLP C=CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCCCCC1 ZINC001754545875 1440627475 /nfs/dbraw/zinc/62/74/75/1440627475.db2.gz XOPVBMGQLHMAGB-QZTJIDSGSA-N 2 2 344.503 3.230 20 30 EGEDLP C=CCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCCCCC1 ZINC001754545875 1440627476 /nfs/dbraw/zinc/62/74/76/1440627476.db2.gz XOPVBMGQLHMAGB-QZTJIDSGSA-N 2 2 344.503 3.230 20 30 EGEDLP C=CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCCCCC1 ZINC001754545875 1440627477 /nfs/dbraw/zinc/62/74/77/1440627477.db2.gz XOPVBMGQLHMAGB-QZTJIDSGSA-N 2 2 344.503 3.230 20 30 EGEDLP C=CCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCCCCC1 ZINC001754545875 1440627478 /nfs/dbraw/zinc/62/74/78/1440627478.db2.gz XOPVBMGQLHMAGB-QZTJIDSGSA-N 2 2 344.503 3.230 20 30 EGEDLP C=CCC[NH2+]C1CCC(N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001755274322 1440798516 /nfs/dbraw/zinc/79/85/16/1440798516.db2.gz YHYHDCQHJKJLTE-UHFFFAOYSA-N 2 2 340.471 3.192 20 30 EGEDLP C=CCC[C@H](C)[NH2+]C1CCC(N(C)C(=O)CCc2[nH+]ccn2C)CC1 ZINC001755275222 1440798748 /nfs/dbraw/zinc/79/87/48/1440798748.db2.gz RCUXQCQGJBNCFO-AOCRQIFASA-N 2 2 346.519 3.067 20 30 EGEDLP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001755737761 1440911245 /nfs/dbraw/zinc/91/12/45/1440911245.db2.gz MUELHWDQSUNULR-HOCLYGCPSA-N 2 2 326.444 3.017 20 30 EGEDLP C=C(Cl)C[NH2+]C[C@H]1CC[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001755740350 1440911651 /nfs/dbraw/zinc/91/16/51/1440911651.db2.gz VFBIZSQFWUBXDV-JKSUJKDBSA-N 2 2 335.879 3.247 20 30 EGEDLP N#Cc1ccccc1OCC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000471010538 270055305 /nfs/dbraw/zinc/05/53/05/270055305.db2.gz XWPHJQPMWYODRM-OYRHEFFESA-N 2 2 347.462 3.001 20 30 EGEDLP N#Cc1ccccc1OCC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000471010538 270055308 /nfs/dbraw/zinc/05/53/08/270055308.db2.gz XWPHJQPMWYODRM-OYRHEFFESA-N 2 2 347.462 3.001 20 30 EGEDLP N#Cc1ccccc1OCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000471010538 270055309 /nfs/dbraw/zinc/05/53/09/270055309.db2.gz XWPHJQPMWYODRM-OYRHEFFESA-N 2 2 347.462 3.001 20 30 EGEDLP N#Cc1ccccc1OCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000471010538 270055311 /nfs/dbraw/zinc/05/53/11/270055311.db2.gz XWPHJQPMWYODRM-OYRHEFFESA-N 2 2 347.462 3.001 20 30 EGEDLP Cc1c[nH+]ccc1OC1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000278577105 268044569 /nfs/dbraw/zinc/04/45/69/268044569.db2.gz JTWODHKOZYSMGY-UHFFFAOYSA-N 2 2 337.423 3.184 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3[C@H]4Cc5ccccc5[C@@H]34)CC2)cc1 ZINC000290665193 268065380 /nfs/dbraw/zinc/06/53/80/268065380.db2.gz ZYFFOZUEALUKTR-YTFSRNRJSA-N 2 2 343.474 3.451 20 30 EGEDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000515496322 268080198 /nfs/dbraw/zinc/08/01/98/268080198.db2.gz MSAKEAHUIRVPBI-GOSISDBHSA-N 2 2 331.423 3.276 20 30 EGEDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000515496322 268080200 /nfs/dbraw/zinc/08/02/00/268080200.db2.gz MSAKEAHUIRVPBI-GOSISDBHSA-N 2 2 331.423 3.276 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000088716148 454117324 /nfs/dbraw/zinc/11/73/24/454117324.db2.gz CLARDIOPLNPVGE-RXVVDRJESA-N 2 2 327.516 3.137 20 30 EGEDLP Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1C#N ZINC000091073024 454375961 /nfs/dbraw/zinc/37/59/61/454375961.db2.gz JUWXUHJZYNGFKV-MRXNPFEDSA-N 2 2 346.438 3.155 20 30 EGEDLP Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1C#N ZINC000091073024 454375965 /nfs/dbraw/zinc/37/59/65/454375965.db2.gz JUWXUHJZYNGFKV-MRXNPFEDSA-N 2 2 346.438 3.155 20 30 EGEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1C ZINC000080960898 454658978 /nfs/dbraw/zinc/65/89/78/454658978.db2.gz CRIRLLVOTTYRQC-INIZCTEOSA-N 2 2 326.444 3.076 20 30 EGEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1C ZINC000080960898 454658980 /nfs/dbraw/zinc/65/89/80/454658980.db2.gz CRIRLLVOTTYRQC-INIZCTEOSA-N 2 2 326.444 3.076 20 30 EGEDLP C[N@H+](CCCC(C)(C)C#N)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177258910 454843623 /nfs/dbraw/zinc/84/36/23/454843623.db2.gz ZWLJTRKIDQFPOZ-UHFFFAOYSA-N 2 2 328.504 3.350 20 30 EGEDLP C[N@@H+](CCCC(C)(C)C#N)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177258910 454843626 /nfs/dbraw/zinc/84/36/26/454843626.db2.gz ZWLJTRKIDQFPOZ-UHFFFAOYSA-N 2 2 328.504 3.350 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H]4OCC[C@H]43)CC2)cc1 ZINC000245949695 455406391 /nfs/dbraw/zinc/40/63/91/455406391.db2.gz WHUVVANWBZCBDS-PWRODBHTSA-N 2 2 339.483 3.070 20 30 EGEDLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(C#N)cc1 ZINC000271855792 455788245 /nfs/dbraw/zinc/78/82/45/455788245.db2.gz JGJMSQDFEDNUDG-HSQYWUDLSA-N 2 2 349.478 3.092 20 30 EGEDLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(C#N)cc1 ZINC000271855792 455788248 /nfs/dbraw/zinc/78/82/48/455788248.db2.gz JGJMSQDFEDNUDG-HSQYWUDLSA-N 2 2 349.478 3.092 20 30 EGEDLP Cc1nc(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000271884026 455797836 /nfs/dbraw/zinc/79/78/36/455797836.db2.gz QHTJLAPGBWQOIY-UHFFFAOYSA-N 2 2 340.496 3.120 20 30 EGEDLP C=CCC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccco1 ZINC000286198083 455998482 /nfs/dbraw/zinc/99/84/82/455998482.db2.gz RNJGSZUBNROKDZ-GOSISDBHSA-N 2 2 340.471 3.224 20 30 EGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000303541219 456466308 /nfs/dbraw/zinc/46/63/08/456466308.db2.gz GDYTYGHVZFQIOM-HSALFYBXSA-N 2 2 349.563 3.386 20 30 EGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000303541219 456466315 /nfs/dbraw/zinc/46/63/15/456466315.db2.gz GDYTYGHVZFQIOM-HSALFYBXSA-N 2 2 349.563 3.386 20 30 EGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000303541219 456466321 /nfs/dbraw/zinc/46/63/21/456466321.db2.gz GDYTYGHVZFQIOM-HSALFYBXSA-N 2 2 349.563 3.386 20 30 EGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000303541219 456466328 /nfs/dbraw/zinc/46/63/28/456466328.db2.gz GDYTYGHVZFQIOM-HSALFYBXSA-N 2 2 349.563 3.386 20 30 EGEDLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1sccc1C#N ZINC000360945078 457453045 /nfs/dbraw/zinc/45/30/45/457453045.db2.gz CQGUKQFYHJTNAG-HZPDHXFCSA-N 2 2 348.516 3.048 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(O)c2Br)CC1 ZINC000459407240 458361395 /nfs/dbraw/zinc/36/13/95/458361395.db2.gz VJTYWIJMWJERRT-UHFFFAOYSA-N 2 2 339.277 3.285 20 30 EGEDLP COC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCC1 ZINC000449349238 458423615 /nfs/dbraw/zinc/42/36/15/458423615.db2.gz WBKPPYPPMLOXMO-UHFFFAOYSA-N 2 2 327.472 3.071 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422640254 458429106 /nfs/dbraw/zinc/42/91/06/458429106.db2.gz VHFVZOKDMDOAQE-OAGGEKHMSA-N 2 2 347.528 3.208 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422640254 458429110 /nfs/dbraw/zinc/42/91/10/458429110.db2.gz VHFVZOKDMDOAQE-OAGGEKHMSA-N 2 2 347.528 3.208 20 30 EGEDLP C=CCC[C@H]([NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000423541206 458454740 /nfs/dbraw/zinc/45/47/40/458454740.db2.gz AMHQEGXVKIGVGV-FQEVSTJZSA-N 3 2 327.516 3.314 20 30 EGEDLP C=CCc1cc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc(OC)c1O ZINC000377833325 458545468 /nfs/dbraw/zinc/54/54/68/458545468.db2.gz YKFLPEYKZZEDPK-KRWDZBQOSA-N 2 2 341.455 3.301 20 30 EGEDLP COc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccc1C#N ZINC000443066308 459082714 /nfs/dbraw/zinc/08/27/14/459082714.db2.gz GYKQWFHSTDICFS-OYRHEFFESA-N 2 2 347.462 3.131 20 30 EGEDLP COc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccc1C#N ZINC000443066308 459082716 /nfs/dbraw/zinc/08/27/16/459082716.db2.gz GYKQWFHSTDICFS-OYRHEFFESA-N 2 2 347.462 3.131 20 30 EGEDLP COc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)ccc1C#N ZINC000443066308 459082721 /nfs/dbraw/zinc/08/27/21/459082721.db2.gz GYKQWFHSTDICFS-OYRHEFFESA-N 2 2 347.462 3.131 20 30 EGEDLP COc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)ccc1C#N ZINC000443066308 459082726 /nfs/dbraw/zinc/08/27/26/459082726.db2.gz GYKQWFHSTDICFS-OYRHEFFESA-N 2 2 347.462 3.131 20 30 EGEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)nc1 ZINC000573695424 459719745 /nfs/dbraw/zinc/71/97/45/459719745.db2.gz MFPWTSMETZQROK-IFMALSPDSA-N 2 2 346.478 3.440 20 30 EGEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)nc1 ZINC000573695424 459719751 /nfs/dbraw/zinc/71/97/51/459719751.db2.gz MFPWTSMETZQROK-IFMALSPDSA-N 2 2 346.478 3.440 20 30 EGEDLP N#Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)nc1 ZINC000573695424 459719758 /nfs/dbraw/zinc/71/97/58/459719758.db2.gz MFPWTSMETZQROK-IFMALSPDSA-N 2 2 346.478 3.440 20 30 EGEDLP N#Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)nc1 ZINC000573695424 459719762 /nfs/dbraw/zinc/71/97/62/459719762.db2.gz MFPWTSMETZQROK-IFMALSPDSA-N 2 2 346.478 3.440 20 30 EGEDLP CC(C)n1cncc1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593691529 459953365 /nfs/dbraw/zinc/95/33/65/459953365.db2.gz BDCUDTTUYOIZLR-UHFFFAOYSA-N 2 2 337.471 3.090 20 30 EGEDLP COc1ccsc1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593693076 459954517 /nfs/dbraw/zinc/95/45/17/459954517.db2.gz NYSXYEHZKVUJTN-UHFFFAOYSA-N 2 2 341.480 3.383 20 30 EGEDLP Cc1ccc(CCC[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)cn1 ZINC000593702257 459957609 /nfs/dbraw/zinc/95/76/09/459957609.db2.gz KPXHNMBERJDKCK-UHFFFAOYSA-N 2 2 348.494 3.449 20 30 EGEDLP C[C@@H](CCC#N)C[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000602539596 459989533 /nfs/dbraw/zinc/98/95/33/459989533.db2.gz RQYDJQPMLYJKBR-KRWDZBQOSA-N 2 2 348.922 3.382 20 30 EGEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000602561989 459998081 /nfs/dbraw/zinc/99/80/81/459998081.db2.gz UNNZPULFKOBDJO-AZUAARDMSA-N 2 2 341.499 3.340 20 30 EGEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000602561989 459998087 /nfs/dbraw/zinc/99/80/87/459998087.db2.gz UNNZPULFKOBDJO-AZUAARDMSA-N 2 2 341.499 3.340 20 30 EGEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000598701348 460000231 /nfs/dbraw/zinc/00/02/31/460000231.db2.gz UKOLMOKOFTVOIJ-GOSISDBHSA-N 2 2 349.906 3.195 20 30 EGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000602569210 460001756 /nfs/dbraw/zinc/00/17/56/460001756.db2.gz PIDBLLJUPUZSFB-GGPKGHCWSA-N 2 2 341.499 3.338 20 30 EGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000602569210 460001767 /nfs/dbraw/zinc/00/17/67/460001767.db2.gz PIDBLLJUPUZSFB-GGPKGHCWSA-N 2 2 341.499 3.338 20 30 EGEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000593968350 460032145 /nfs/dbraw/zinc/03/21/45/460032145.db2.gz SAENWDJPUFTMPW-CYBMUJFWSA-N 2 2 345.244 3.044 20 30 EGEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000593968350 460032148 /nfs/dbraw/zinc/03/21/48/460032148.db2.gz SAENWDJPUFTMPW-CYBMUJFWSA-N 2 2 345.244 3.044 20 30 EGEDLP C[NH+](C)C1CCN(c2ccc(NCc3cc(C#N)cs3)[nH+]c2)CC1 ZINC000344905976 536114424 /nfs/dbraw/zinc/11/44/24/536114424.db2.gz XQYXFZRKCIUYHV-UHFFFAOYSA-N 2 2 341.484 3.157 20 30 EGEDLP C[NH+]1CCC(CC(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000330114724 547513648 /nfs/dbraw/zinc/51/36/48/547513648.db2.gz FCZLMYMHVFQVPN-HNNXBMFYSA-N 2 2 332.492 3.184 20 30 EGEDLP C#CCOc1ccc(C[NH2+]CC2([NH+]3CCSCC3)CCCC2)cc1 ZINC000733324533 575327657 /nfs/dbraw/zinc/32/76/57/575327657.db2.gz IOYFEFIKHMGSMB-UHFFFAOYSA-N 2 2 344.524 3.150 20 30 EGEDLP C#CCOc1ccccc1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000236687302 1296195020 /nfs/dbraw/zinc/19/50/20/1296195020.db2.gz LYQISWBEFAKOME-UHFFFAOYSA-N 2 2 334.463 3.237 20 30 EGEDLP C#CCOc1ccccc1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000236687302 1296195026 /nfs/dbraw/zinc/19/50/26/1296195026.db2.gz LYQISWBEFAKOME-UHFFFAOYSA-N 2 2 334.463 3.237 20 30 EGEDLP CCc1cccc(NC(=[NH2+])NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000303785678 1296854358 /nfs/dbraw/zinc/85/43/58/1296854358.db2.gz QNHKZDRNSAXWDG-UHFFFAOYSA-N 2 2 344.503 3.011 20 30 EGEDLP Cc1cc(C)cc(NC(=[NH2+])NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000303875517 1296865495 /nfs/dbraw/zinc/86/54/95/1296865495.db2.gz DLWYQGHJRZWMCM-GOSISDBHSA-N 2 2 328.435 3.472 20 30 EGEDLP CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000878252140 1299866724 /nfs/dbraw/zinc/86/67/24/1299866724.db2.gz COYMNNQXSUFDSG-YLJYHZDGSA-N 2 2 336.439 3.030 20 30 EGEDLP CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000878252140 1299866744 /nfs/dbraw/zinc/86/67/44/1299866744.db2.gz COYMNNQXSUFDSG-YLJYHZDGSA-N 2 2 336.439 3.030 20 30 EGEDLP C#CC[N@H+](C)CCC[NH2+]Cc1sccc1NC(=O)OC(C)(C)C ZINC000894633245 1308990674 /nfs/dbraw/zinc/99/06/74/1308990674.db2.gz ZRGMSGDYSBYJGX-UHFFFAOYSA-N 2 2 337.489 3.140 20 30 EGEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1sccc1NC(=O)OC(C)(C)C ZINC000894633245 1308990680 /nfs/dbraw/zinc/99/06/80/1308990680.db2.gz ZRGMSGDYSBYJGX-UHFFFAOYSA-N 2 2 337.489 3.140 20 30 EGEDLP C=CC[NH+]1CCC2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)CC1 ZINC000957568371 1317466851 /nfs/dbraw/zinc/46/68/51/1317466851.db2.gz JAAMOPWDFYONKV-UHFFFAOYSA-N 2 2 338.455 3.067 20 30 EGEDLP CC(C)(C)[NH+]=C(NCCCCn1cc[nH+]c1)NCCc1ccccc1 ZINC000912507204 1318895125 /nfs/dbraw/zinc/89/51/25/1318895125.db2.gz XIYCELKRWBFDLA-UHFFFAOYSA-N 2 2 341.503 3.240 20 30 EGEDLP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)ccc1OC ZINC000817917035 1319459627 /nfs/dbraw/zinc/45/96/27/1319459627.db2.gz DKUCBAGDRHHCOZ-DZGCQCFKSA-N 2 2 340.427 3.035 20 30 EGEDLP C=C[C@H](CC)CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000935081234 1330027416 /nfs/dbraw/zinc/02/74/16/1330027416.db2.gz YOLUBXDEAVPXHK-HOJAQTOUSA-N 2 2 349.563 3.384 20 30 EGEDLP C=C[C@H](CC)CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000935081234 1330027418 /nfs/dbraw/zinc/02/74/18/1330027418.db2.gz YOLUBXDEAVPXHK-HOJAQTOUSA-N 2 2 349.563 3.384 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC000947315337 1333086005 /nfs/dbraw/zinc/08/60/05/1333086005.db2.gz RFARXIBEJNPJQG-QAPCUYQASA-N 2 2 340.471 3.192 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC000947315337 1333086008 /nfs/dbraw/zinc/08/60/08/1333086008.db2.gz RFARXIBEJNPJQG-QAPCUYQASA-N 2 2 340.471 3.192 20 30 EGEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033991938 1342134787 /nfs/dbraw/zinc/13/47/87/1342134787.db2.gz NDRIZLQCHVBNQX-SFHVURJKSA-N 2 2 349.906 3.037 20 30 EGEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033991938 1342134789 /nfs/dbraw/zinc/13/47/89/1342134789.db2.gz NDRIZLQCHVBNQX-SFHVURJKSA-N 2 2 349.906 3.037 20 30 EGEDLP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001034693546 1342696241 /nfs/dbraw/zinc/69/62/41/1342696241.db2.gz CXTBEYXBDYCHAL-WKILWMFISA-N 2 2 335.879 3.390 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039222227 1344939337 /nfs/dbraw/zinc/93/93/37/1344939337.db2.gz DLMVVAJALPFHAE-QZTJIDSGSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039222227 1344939340 /nfs/dbraw/zinc/93/93/40/1344939340.db2.gz DLMVVAJALPFHAE-QZTJIDSGSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC001044802747 1346431282 /nfs/dbraw/zinc/43/12/82/1346431282.db2.gz YQBPLJNTVKVHDA-SJLPKXTDSA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001048538107 1347583304 /nfs/dbraw/zinc/58/33/04/1347583304.db2.gz ITUPRLADXVYGQO-ACHSLPGTSA-N 2 2 338.455 3.112 20 30 EGEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001048538107 1347583308 /nfs/dbraw/zinc/58/33/08/1347583308.db2.gz ITUPRLADXVYGQO-ACHSLPGTSA-N 2 2 338.455 3.112 20 30 EGEDLP C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053080144 1348901370 /nfs/dbraw/zinc/90/13/70/1348901370.db2.gz AUQCMUBFSDTDCA-QZTJIDSGSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053080144 1348901375 /nfs/dbraw/zinc/90/13/75/1348901375.db2.gz AUQCMUBFSDTDCA-QZTJIDSGSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053086001 1348908513 /nfs/dbraw/zinc/90/85/13/1348908513.db2.gz AJDAOFYVCLUMTP-HKUYNNGSSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053086001 1348908516 /nfs/dbraw/zinc/90/85/16/1348908516.db2.gz AJDAOFYVCLUMTP-HKUYNNGSSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053086001 1348908518 /nfs/dbraw/zinc/90/85/18/1348908518.db2.gz AJDAOFYVCLUMTP-HKUYNNGSSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053086001 1348908523 /nfs/dbraw/zinc/90/85/23/1348908523.db2.gz AJDAOFYVCLUMTP-HKUYNNGSSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053099387 1348930956 /nfs/dbraw/zinc/93/09/56/1348930956.db2.gz VXDZZWJNIPJRQA-PKOBYXMFSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053099387 1348930961 /nfs/dbraw/zinc/93/09/61/1348930961.db2.gz VXDZZWJNIPJRQA-PKOBYXMFSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1C ZINC001071711783 1354869651 /nfs/dbraw/zinc/86/96/51/1354869651.db2.gz DGQQGMSMLNWVKF-AEFFLSMTSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1C ZINC001071711783 1354869656 /nfs/dbraw/zinc/86/96/56/1354869656.db2.gz DGQQGMSMLNWVKF-AEFFLSMTSA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001099250766 1363713081 /nfs/dbraw/zinc/71/30/81/1363713081.db2.gz BDPXTBFOLXCUCJ-ZWKOTPCHSA-N 2 2 346.519 3.407 20 30 EGEDLP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001099250766 1363713084 /nfs/dbraw/zinc/71/30/84/1363713084.db2.gz BDPXTBFOLXCUCJ-ZWKOTPCHSA-N 2 2 346.519 3.407 20 30 EGEDLP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001099349608 1363766001 /nfs/dbraw/zinc/76/60/01/1363766001.db2.gz QOUPHNDOHVDWJD-RTBURBONSA-N 2 2 343.515 3.082 20 30 EGEDLP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001099349608 1363766004 /nfs/dbraw/zinc/76/60/04/1363766004.db2.gz QOUPHNDOHVDWJD-RTBURBONSA-N 2 2 343.515 3.082 20 30 EGEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001085381716 1358483026 /nfs/dbraw/zinc/48/30/26/1358483026.db2.gz RTFBFVOCBLHAQS-RTBURBONSA-N 2 2 338.455 3.079 20 30 EGEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001086763684 1359196897 /nfs/dbraw/zinc/19/68/97/1359196897.db2.gz XMRGUTWZFNXODN-JKSUJKDBSA-N 2 2 335.879 3.247 20 30 EGEDLP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1CC ZINC001087676097 1359584529 /nfs/dbraw/zinc/58/45/29/1359584529.db2.gz VNJXGRANMMEDLN-RBUKOAKNSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1CC ZINC001087676097 1359584533 /nfs/dbraw/zinc/58/45/33/1359584533.db2.gz VNJXGRANMMEDLN-RBUKOAKNSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001104327292 1365980275 /nfs/dbraw/zinc/98/02/75/1365980275.db2.gz GSXCQOOMMGFRHP-QRVBRYPASA-N 2 2 346.519 3.121 20 30 EGEDLP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001106710235 1366777680 /nfs/dbraw/zinc/77/76/80/1366777680.db2.gz CCHXJHQOUZEYGW-CEXWTWQISA-N 2 2 348.535 3.489 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001189382883 1367007066 /nfs/dbraw/zinc/00/70/66/1367007066.db2.gz ZOPYIHPVKRLHHG-ZIFCJYIRSA-N 2 2 346.519 3.091 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001189382883 1367007073 /nfs/dbraw/zinc/00/70/73/1367007073.db2.gz ZOPYIHPVKRLHHG-ZIFCJYIRSA-N 2 2 346.519 3.091 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001189382883 1367007078 /nfs/dbraw/zinc/00/70/78/1367007078.db2.gz ZOPYIHPVKRLHHG-ZIFCJYIRSA-N 2 2 346.519 3.091 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001189382883 1367007080 /nfs/dbraw/zinc/00/70/80/1367007080.db2.gz ZOPYIHPVKRLHHG-ZIFCJYIRSA-N 2 2 346.519 3.091 20 30 EGEDLP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191318741 1367475577 /nfs/dbraw/zinc/47/55/77/1367475577.db2.gz DPHLZBYJXCJNPG-KRWDZBQOSA-N 2 2 342.487 3.451 20 30 EGEDLP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191318741 1367475579 /nfs/dbraw/zinc/47/55/79/1367475579.db2.gz DPHLZBYJXCJNPG-KRWDZBQOSA-N 2 2 342.487 3.451 20 30 EGEDLP CCCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cc[nH+]c1)C2 ZINC001108738080 1367567399 /nfs/dbraw/zinc/56/73/99/1367567399.db2.gz YSQDOERNMXDUGM-FHWLQOOXSA-N 2 2 346.519 3.213 20 30 EGEDLP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001201182502 1369491247 /nfs/dbraw/zinc/49/12/47/1369491247.db2.gz HJWJDDAPNUKLRA-PKOBYXMFSA-N 2 2 346.519 3.406 20 30 EGEDLP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C12CCC2 ZINC001203190961 1370017781 /nfs/dbraw/zinc/01/77/81/1370017781.db2.gz BQTWNMULDUFVRS-IAGOWNOFSA-N 2 2 327.472 3.214 20 30 EGEDLP C=CCOc1ccc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)cc1 ZINC001204303607 1370437996 /nfs/dbraw/zinc/43/79/96/1370437996.db2.gz LGECQAUJLJZGJN-UHFFFAOYSA-N 2 2 344.499 3.327 20 30 EGEDLP C=CCOc1ccc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)cc1 ZINC001204303607 1370437998 /nfs/dbraw/zinc/43/79/98/1370437998.db2.gz LGECQAUJLJZGJN-UHFFFAOYSA-N 2 2 344.499 3.327 20 30 EGEDLP C#CCC[NH2+]C1(CNC(=O)c2c(C)cc(C)[nH+]c2C)CCCCC1 ZINC001115640673 1370632250 /nfs/dbraw/zinc/63/22/50/1370632250.db2.gz GWOHXJGOFUTYBC-UHFFFAOYSA-N 2 2 327.472 3.052 20 30 EGEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001132921207 1375645696 /nfs/dbraw/zinc/64/56/96/1375645696.db2.gz XUHCVSKLBRQTRC-DOTOQJQBSA-N 2 2 340.471 3.217 20 30 EGEDLP C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001229038645 1375749628 /nfs/dbraw/zinc/74/96/28/1375749628.db2.gz ZIFBXTALMQLLAQ-BHIYHBOVSA-N 2 2 346.519 3.352 20 30 EGEDLP C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001229038645 1375749631 /nfs/dbraw/zinc/74/96/31/1375749631.db2.gz ZIFBXTALMQLLAQ-BHIYHBOVSA-N 2 2 346.519 3.352 20 30 EGEDLP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001134369539 1376497680 /nfs/dbraw/zinc/49/76/80/1376497680.db2.gz NTRISZSYDPKZPO-GJZGRUSLSA-N 2 2 328.460 3.095 20 30 EGEDLP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135097754 1376896090 /nfs/dbraw/zinc/89/60/90/1376896090.db2.gz PRAAQVIDGLTKFN-SJORKVTESA-N 2 2 340.471 3.325 20 30 EGEDLP C#CCOc1ccc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)cc1 ZINC001138557869 1377742089 /nfs/dbraw/zinc/74/20/89/1377742089.db2.gz STRZNRPALSGHLZ-UHFFFAOYSA-N 2 2 330.447 3.097 20 30 EGEDLP C=CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001158794043 1381402262 /nfs/dbraw/zinc/40/22/62/1381402262.db2.gz FDKSMVMLJOHMOK-GOSISDBHSA-N 2 2 346.519 3.320 20 30 EGEDLP C=CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001158794043 1381402268 /nfs/dbraw/zinc/40/22/68/1381402268.db2.gz FDKSMVMLJOHMOK-GOSISDBHSA-N 2 2 346.519 3.320 20 30 EGEDLP C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171153417 1384456214 /nfs/dbraw/zinc/45/62/14/1384456214.db2.gz YSHYWKJSIHGHJO-QGZVFWFLSA-N 2 2 334.508 3.353 20 30 EGEDLP C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171153417 1384456215 /nfs/dbraw/zinc/45/62/15/1384456215.db2.gz YSHYWKJSIHGHJO-QGZVFWFLSA-N 2 2 334.508 3.353 20 30 EGEDLP COc1ccccc1C1([NH3+])CC[NH+]([C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172299396 1384762940 /nfs/dbraw/zinc/76/29/40/1384762940.db2.gz KETQCRKRZHHINS-KRWDZBQOSA-N 2 2 349.478 3.448 20 30 EGEDLP CO[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC001173592602 1384982917 /nfs/dbraw/zinc/98/29/17/1384982917.db2.gz VNDVSVXQYUQYHY-OMYXNUHHSA-N 2 2 341.499 3.338 20 30 EGEDLP CO[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC001173592602 1384982921 /nfs/dbraw/zinc/98/29/21/1384982921.db2.gz VNDVSVXQYUQYHY-OMYXNUHHSA-N 2 2 341.499 3.338 20 30 EGEDLP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)CCCn1cc[nH+]c1 ZINC001177493193 1385978057 /nfs/dbraw/zinc/97/80/57/1385978057.db2.gz SDMIITAMCBNORZ-UHFFFAOYSA-N 2 2 346.519 3.238 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CCCN(CC1CCCC1)C(=O)Cn1cc[nH+]c1 ZINC001177493448 1385978786 /nfs/dbraw/zinc/97/87/86/1385978786.db2.gz XLAJONNTQRCELT-SFHVURJKSA-N 2 2 346.519 3.236 20 30 EGEDLP COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001319756806 1386282754 /nfs/dbraw/zinc/28/27/54/1386282754.db2.gz PNRQVSZJJKJLCG-GOSISDBHSA-N 2 2 336.439 3.347 20 30 EGEDLP COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001319756806 1386282757 /nfs/dbraw/zinc/28/27/57/1386282757.db2.gz PNRQVSZJJKJLCG-GOSISDBHSA-N 2 2 336.439 3.347 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001178852292 1386328805 /nfs/dbraw/zinc/32/88/05/1386328805.db2.gz OHZCGIYKNOKDSX-MSOLQXFVSA-N 2 2 346.519 3.066 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001178852297 1386328847 /nfs/dbraw/zinc/32/88/47/1386328847.db2.gz OHZCGIYKNOKDSX-ZWKOTPCHSA-N 2 2 346.519 3.066 20 30 EGEDLP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001178879849 1386336742 /nfs/dbraw/zinc/33/67/42/1386336742.db2.gz GPVXGPFEHYHGJN-QGZVFWFLSA-N 2 2 346.519 3.055 20 30 EGEDLP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001178879849 1386336747 /nfs/dbraw/zinc/33/67/47/1386336747.db2.gz GPVXGPFEHYHGJN-QGZVFWFLSA-N 2 2 346.519 3.055 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001182579264 1387190393 /nfs/dbraw/zinc/19/03/93/1387190393.db2.gz APUUORVNWRYVAX-GOSISDBHSA-N 2 2 342.487 3.417 20 30 EGEDLP C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001752512170 1440190309 /nfs/dbraw/zinc/19/03/09/1440190309.db2.gz BPSRJTIXDLFRNH-MRXNPFEDSA-N 2 2 340.471 3.313 20 30 EGEDLP C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001752512170 1440190310 /nfs/dbraw/zinc/19/03/10/1440190310.db2.gz BPSRJTIXDLFRNH-MRXNPFEDSA-N 2 2 340.471 3.313 20 30 EGEDLP C=CCC[NH2+]C[C@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)C1CCCC1 ZINC001754648564 1440651150 /nfs/dbraw/zinc/65/11/50/1440651150.db2.gz ZYCYXBPDQWPIQF-SFHVURJKSA-N 2 2 340.471 3.097 20 30 EGEDLP C=C(C)CC[NH2+]C[C@@H](NC(=O)c1cccc2[nH+]ccn21)C1CCCC1 ZINC001754651783 1440652186 /nfs/dbraw/zinc/65/21/86/1440652186.db2.gz UELWZXZLQXCNIW-QGZVFWFLSA-N 2 2 340.471 3.179 20 30 EGEDLP COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000101547028 162050034 /nfs/dbraw/zinc/05/00/34/162050034.db2.gz OXVDVLYYZYEULQ-UHFFFAOYSA-N 2 2 346.434 3.393 20 30 EGEDLP COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000101547028 162050037 /nfs/dbraw/zinc/05/00/37/162050037.db2.gz OXVDVLYYZYEULQ-UHFFFAOYSA-N 2 2 346.434 3.393 20 30 EGEDLP Cc1cc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c(C#N)c[nH+]1 ZINC000399555066 267341606 /nfs/dbraw/zinc/34/16/06/267341606.db2.gz CLKZMHHWQLNAJI-AZUAARDMSA-N 2 2 332.451 3.220 20 30 EGEDLP Cc1cc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(C#N)c[nH+]1 ZINC000399555066 267341609 /nfs/dbraw/zinc/34/16/09/267341609.db2.gz CLKZMHHWQLNAJI-AZUAARDMSA-N 2 2 332.451 3.220 20 30 EGEDLP Cc1cccc2[nH+]cc(CN(CC[NH+](C)C)Cc3ccc(C#N)cc3)n21 ZINC000348933353 281320620 /nfs/dbraw/zinc/32/06/20/281320620.db2.gz ITUTWCCEYYDEJZ-UHFFFAOYSA-N 2 2 347.466 3.078 20 30 EGEDLP CC1(C)CCC[N@H+](CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000552056658 315193909 /nfs/dbraw/zinc/19/39/09/315193909.db2.gz NAUUFXNZYRFQBY-UHFFFAOYSA-N 2 2 340.515 3.239 20 30 EGEDLP CC1(C)CCC[N@@H+](CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000552056658 315193910 /nfs/dbraw/zinc/19/39/10/315193910.db2.gz NAUUFXNZYRFQBY-UHFFFAOYSA-N 2 2 340.515 3.239 20 30 EGEDLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000565154921 316276624 /nfs/dbraw/zinc/27/66/24/316276624.db2.gz CVFZKMTXMIRQMR-KKSFZXQISA-N 2 2 337.467 3.188 20 30 EGEDLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000565154921 316276626 /nfs/dbraw/zinc/27/66/26/316276626.db2.gz CVFZKMTXMIRQMR-KKSFZXQISA-N 2 2 337.467 3.188 20 30 EGEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(N(C)CCC#N)cc1 ZINC000091892785 454485997 /nfs/dbraw/zinc/48/59/97/454485997.db2.gz ZFJHWSSDQXOFIZ-UXHICEINSA-N 2 2 326.488 3.095 20 30 EGEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(N(C)CCC#N)cc1 ZINC000091892785 454485999 /nfs/dbraw/zinc/48/59/99/454485999.db2.gz ZFJHWSSDQXOFIZ-UXHICEINSA-N 2 2 326.488 3.095 20 30 EGEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N(C)CCC#N)cc1 ZINC000091892785 454486001 /nfs/dbraw/zinc/48/60/01/454486001.db2.gz ZFJHWSSDQXOFIZ-UXHICEINSA-N 2 2 326.488 3.095 20 30 EGEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N(C)CCC#N)cc1 ZINC000091892785 454486003 /nfs/dbraw/zinc/48/60/03/454486003.db2.gz ZFJHWSSDQXOFIZ-UXHICEINSA-N 2 2 326.488 3.095 20 30 EGEDLP C[C@@H]1CC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000091960762 454496490 /nfs/dbraw/zinc/49/64/90/454496490.db2.gz PPMFAJOYDVCXNO-XLIONFOSSA-N 2 2 337.471 3.316 20 30 EGEDLP C[C@@H]1CC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000091960762 454496494 /nfs/dbraw/zinc/49/64/94/454496494.db2.gz PPMFAJOYDVCXNO-XLIONFOSSA-N 2 2 337.471 3.316 20 30 EGEDLP C=CCOc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1OC ZINC000092648706 454600087 /nfs/dbraw/zinc/60/00/87/454600087.db2.gz IKRNAPOZULHLSL-UHFFFAOYSA-N 2 2 327.428 3.294 20 30 EGEDLP C#CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000162231849 454761218 /nfs/dbraw/zinc/76/12/18/454761218.db2.gz XROYPMBLYNOHNP-SFHVURJKSA-N 2 2 349.478 3.409 20 30 EGEDLP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000114197129 454946610 /nfs/dbraw/zinc/94/66/10/454946610.db2.gz JZWSQVRXBWIAHJ-UHFFFAOYSA-N 2 2 348.516 3.002 20 30 EGEDLP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000114197129 454946613 /nfs/dbraw/zinc/94/66/13/454946613.db2.gz JZWSQVRXBWIAHJ-UHFFFAOYSA-N 2 2 348.516 3.002 20 30 EGEDLP C=CCCCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245619599 455342538 /nfs/dbraw/zinc/34/25/38/455342538.db2.gz AMGHKJPBAOEBGM-RBUKOAKNSA-N 2 2 335.536 3.138 20 30 EGEDLP C=CCCCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245619599 455342543 /nfs/dbraw/zinc/34/25/43/455342543.db2.gz AMGHKJPBAOEBGM-RBUKOAKNSA-N 2 2 335.536 3.138 20 30 EGEDLP C[NH+](C)C1CC[NH+](CCNc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000267144289 455506856 /nfs/dbraw/zinc/50/68/56/455506856.db2.gz ARLNNDMQWALRPS-UHFFFAOYSA-N 2 2 340.393 3.015 20 30 EGEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000268124587 455595265 /nfs/dbraw/zinc/59/52/65/455595265.db2.gz NMXTYIGLFQJDEP-OXQOHEQNSA-N 2 2 349.482 3.036 20 30 EGEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000268124587 455595270 /nfs/dbraw/zinc/59/52/70/455595270.db2.gz NMXTYIGLFQJDEP-OXQOHEQNSA-N 2 2 349.482 3.036 20 30 EGEDLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cccc(C#N)c1 ZINC000272314301 455910609 /nfs/dbraw/zinc/91/06/09/455910609.db2.gz UOLFVESDCZFFNL-BEFAXECRSA-N 2 2 335.455 3.267 20 30 EGEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000289370843 456123611 /nfs/dbraw/zinc/12/36/11/456123611.db2.gz KCBNTXWROAZLBN-QGZVFWFLSA-N 2 2 345.487 3.046 20 30 EGEDLP C[C@H]1C[C@H](CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000273153592 456194424 /nfs/dbraw/zinc/19/44/24/456194424.db2.gz IKZFBHQDYUNALF-ZWKOTPCHSA-N 2 2 341.499 3.317 20 30 EGEDLP C=C(C)COc1cc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)ccc1OC ZINC000344837377 456866995 /nfs/dbraw/zinc/86/69/95/456866995.db2.gz LGLSXHFZYZCUAQ-CRAIPNDOSA-N 2 2 330.472 3.222 20 30 EGEDLP C=C(C)COc1cc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)ccc1OC ZINC000344837377 456866998 /nfs/dbraw/zinc/86/69/98/456866998.db2.gz LGLSXHFZYZCUAQ-CRAIPNDOSA-N 2 2 330.472 3.222 20 30 EGEDLP Cc1cc(C)c(NC(=O)NC2CC[NH+](CCOC(C)C)CC2)c(C)[nH+]1 ZINC000331307644 457164413 /nfs/dbraw/zinc/16/44/13/457164413.db2.gz GKZWDQFHTSBNDF-UHFFFAOYSA-N 2 2 348.491 3.222 20 30 EGEDLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000358137566 457808582 /nfs/dbraw/zinc/80/85/82/457808582.db2.gz HJVXDGDHGHVOTR-GWFLUQINSA-N 2 2 327.472 3.178 20 30 EGEDLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000358137566 457808585 /nfs/dbraw/zinc/80/85/85/457808585.db2.gz HJVXDGDHGHVOTR-GWFLUQINSA-N 2 2 327.472 3.178 20 30 EGEDLP COc1cc(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)ccc1C#N ZINC000440816239 458857253 /nfs/dbraw/zinc/85/72/53/458857253.db2.gz MBRFOIWTTDTCTO-HXUWFJFHSA-N 2 2 335.451 3.494 20 30 EGEDLP Cc1cnc(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000594509035 459067895 /nfs/dbraw/zinc/06/78/95/459067895.db2.gz HBGWGRHABJYYAS-UHFFFAOYSA-N 2 2 348.494 3.367 20 30 EGEDLP N#CCC[C@H](C#N)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000560454999 459349114 /nfs/dbraw/zinc/34/91/14/459349114.db2.gz LBLWXVAIKAKNCF-MRXNPFEDSA-N 2 2 330.863 3.338 20 30 EGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000491073010 459596463 /nfs/dbraw/zinc/59/64/63/459596463.db2.gz WZKBGGLLJSUDOS-HXUWFJFHSA-N 2 2 325.431 3.163 20 30 EGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000491073010 459596470 /nfs/dbraw/zinc/59/64/70/459596470.db2.gz WZKBGGLLJSUDOS-HXUWFJFHSA-N 2 2 325.431 3.163 20 30 EGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccc(C#N)cc3F)CC2)c1 ZINC000593693155 459954667 /nfs/dbraw/zinc/95/46/67/459954667.db2.gz QYWYIJKQTKBCNM-UHFFFAOYSA-N 2 2 348.425 3.323 20 30 EGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@@]1(C)CCCO1 ZINC000593721913 459963557 /nfs/dbraw/zinc/96/35/57/459963557.db2.gz NQGPAOXFCLSYHG-OXJNMPFZSA-N 2 2 327.472 3.070 20 30 EGEDLP N#Cc1cccc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)n1 ZINC000602666273 460053984 /nfs/dbraw/zinc/05/39/84/460053984.db2.gz FRQPEEVROAUXGB-IBGZPJMESA-N 2 2 334.467 3.345 20 30 EGEDLP N#Cc1cccc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000602666273 460053990 /nfs/dbraw/zinc/05/39/90/460053990.db2.gz FRQPEEVROAUXGB-IBGZPJMESA-N 2 2 334.467 3.345 20 30 EGEDLP C=C(C)[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(F)c(F)c1 ZINC000655757651 461423959 /nfs/dbraw/zinc/42/39/59/461423959.db2.gz WLWNBFVNAOIFPK-QFBILLFUSA-N 2 2 336.426 3.425 20 30 EGEDLP C=C(C)C[NH+]1CCC(N[C@@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)CC1 ZINC000187977741 526603653 /nfs/dbraw/zinc/60/36/53/526603653.db2.gz JQTMTKLTDMDVDW-GOSISDBHSA-N 2 2 328.435 3.268 20 30 EGEDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C#N)ccc2Br)C1 ZINC000191804885 527837118 /nfs/dbraw/zinc/83/71/18/527837118.db2.gz WPTBTWGGPFBSJR-CQSZACIVSA-N 2 2 336.277 3.094 20 30 EGEDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C#N)ccc2Br)C1 ZINC000191804885 527837126 /nfs/dbraw/zinc/83/71/26/527837126.db2.gz WPTBTWGGPFBSJR-CQSZACIVSA-N 2 2 336.277 3.094 20 30 EGEDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000191804885 527837130 /nfs/dbraw/zinc/83/71/30/527837130.db2.gz WPTBTWGGPFBSJR-CQSZACIVSA-N 2 2 336.277 3.094 20 30 EGEDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000191804885 527837134 /nfs/dbraw/zinc/83/71/34/527837134.db2.gz WPTBTWGGPFBSJR-CQSZACIVSA-N 2 2 336.277 3.094 20 30 EGEDLP CCCC[C@H](COC)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181776669 528967342 /nfs/dbraw/zinc/96/73/42/528967342.db2.gz DAYMESMABFZWGI-HXUWFJFHSA-N 2 2 329.488 3.317 20 30 EGEDLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccc(C#N)s3)CC2)cc1 ZINC000176976534 1294647046 /nfs/dbraw/zinc/64/70/46/1294647046.db2.gz FHHJBTMGJRKFHU-UHFFFAOYSA-N 2 2 340.496 3.444 20 30 EGEDLP CC[C@@H](C)NC(=[NH2+])NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000183887284 1295155628 /nfs/dbraw/zinc/15/56/28/1295155628.db2.gz RZNCDMKAOLHLSY-BXUZGUMPSA-N 2 2 330.398 3.011 20 30 EGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1n1cncn1)C(C)C ZINC000340472284 1297312385 /nfs/dbraw/zinc/31/23/85/1297312385.db2.gz IAKUTKFZEDUQEW-ZGXWSNOMSA-N 2 2 345.535 3.296 20 30 EGEDLP Cc1cc(C)cc(OCCO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)c1 ZINC000747839153 1298868623 /nfs/dbraw/zinc/86/86/23/1298868623.db2.gz ZTAFETKAMVWPRE-UHFFFAOYSA-N 2 2 341.455 3.081 20 30 EGEDLP Cc1cccc(O)c1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000877614459 1299433241 /nfs/dbraw/zinc/43/32/41/1299433241.db2.gz DMVCXWKTBIDSDB-UHFFFAOYSA-N 2 2 335.451 3.327 20 30 EGEDLP C[NH+]1CCN(c2ccc(C=[NH+]Nc3cc(F)c(F)cc3F)cc2)CC1 ZINC000771561373 1303421168 /nfs/dbraw/zinc/42/11/68/1303421168.db2.gz VYECIWKGMCNGCM-UHFFFAOYSA-N 2 2 348.372 3.302 20 30 EGEDLP C#CCOc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1 ZINC000775205244 1303925062 /nfs/dbraw/zinc/92/50/62/1303925062.db2.gz RFOQDEFMQSLGEX-UHFFFAOYSA-N 2 2 336.435 3.445 20 30 EGEDLP C#Cc1ccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000846106312 1321767595 /nfs/dbraw/zinc/76/75/95/1321767595.db2.gz FQQXQNQHYVLWRT-UHFFFAOYSA-N 2 2 329.447 3.294 20 30 EGEDLP CC[C@H](C)[NH2+][C@H](C[NH+]=C(NCc1ccccc1)N(C)C)c1ccco1 ZINC000849051050 1322059178 /nfs/dbraw/zinc/05/91/78/1322059178.db2.gz TYRPGVCCKIZYJJ-FUHWJXTLSA-N 2 2 342.487 3.416 20 30 EGEDLP C=C(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025422323 1324255559 /nfs/dbraw/zinc/25/55/59/1324255559.db2.gz IAYBBPYVMDSSIF-SJLPKXTDSA-N 2 2 340.471 3.049 20 30 EGEDLP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025422323 1324255565 /nfs/dbraw/zinc/25/55/65/1324255565.db2.gz IAYBBPYVMDSSIF-SJLPKXTDSA-N 2 2 340.471 3.049 20 30 EGEDLP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3c(C)cc(C)[nH+]c3C)C[C@@H]21 ZINC001026316683 1324721150 /nfs/dbraw/zinc/72/11/50/1324721150.db2.gz GZNKPIYAGOJWKG-OKZBNKHCSA-N 2 2 327.472 3.023 20 30 EGEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1CC ZINC001037885910 1344160561 /nfs/dbraw/zinc/16/05/61/1344160561.db2.gz VGVUCYFARIQSRC-DZGCQCFKSA-N 2 2 346.862 3.146 20 30 EGEDLP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C2 ZINC001048548604 1347588083 /nfs/dbraw/zinc/58/80/83/1347588083.db2.gz JPFVPBRPRKYSDW-REPLKXPHSA-N 2 2 339.483 3.003 20 30 EGEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C2 ZINC001048548604 1347588089 /nfs/dbraw/zinc/58/80/89/1347588089.db2.gz JPFVPBRPRKYSDW-REPLKXPHSA-N 2 2 339.483 3.003 20 30 EGEDLP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001054153003 1349156160 /nfs/dbraw/zinc/15/61/60/1349156160.db2.gz JRSWXAFRDXPPBC-HXUWFJFHSA-N 2 2 338.455 3.067 20 30 EGEDLP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001054153003 1349156164 /nfs/dbraw/zinc/15/61/64/1349156164.db2.gz JRSWXAFRDXPPBC-HXUWFJFHSA-N 2 2 338.455 3.067 20 30 EGEDLP C=CCCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099358517 1363771636 /nfs/dbraw/zinc/77/16/36/1363771636.db2.gz IJXVNIKUTABTBE-SFHVURJKSA-N 2 2 346.519 3.236 20 30 EGEDLP C=CCCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099358517 1363771646 /nfs/dbraw/zinc/77/16/46/1363771646.db2.gz IJXVNIKUTABTBE-SFHVURJKSA-N 2 2 346.519 3.236 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001101260680 1364489667 /nfs/dbraw/zinc/48/96/67/1364489667.db2.gz IHCGBPVVNTYZEE-XLIONFOSSA-N 2 2 346.519 3.093 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001101260680 1364489671 /nfs/dbraw/zinc/48/96/71/1364489671.db2.gz IHCGBPVVNTYZEE-XLIONFOSSA-N 2 2 346.519 3.093 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101260680 1364489675 /nfs/dbraw/zinc/48/96/75/1364489675.db2.gz IHCGBPVVNTYZEE-XLIONFOSSA-N 2 2 346.519 3.093 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101260680 1364489676 /nfs/dbraw/zinc/48/96/76/1364489676.db2.gz IHCGBPVVNTYZEE-XLIONFOSSA-N 2 2 346.519 3.093 20 30 EGEDLP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102073411 1364837731 /nfs/dbraw/zinc/83/77/31/1364837731.db2.gz XDPOZFWTMHLTFI-GUDVDZBRSA-N 2 2 346.519 3.121 20 30 EGEDLP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102073411 1364837734 /nfs/dbraw/zinc/83/77/34/1364837734.db2.gz XDPOZFWTMHLTFI-GUDVDZBRSA-N 2 2 346.519 3.121 20 30 EGEDLP CCCCCCC[NH+]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001112853582 1369047942 /nfs/dbraw/zinc/04/79/42/1369047942.db2.gz DUJURZLZFZQFPR-UHFFFAOYSA-N 2 2 342.487 3.371 20 30 EGEDLP C=CCCCCC[NH+]1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001112909770 1369085809 /nfs/dbraw/zinc/08/58/09/1369085809.db2.gz YWBGQLQQWZFARK-UHFFFAOYSA-N 2 2 349.544 3.314 20 30 EGEDLP CCCCCCC[NH2+]C1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001201224585 1369499525 /nfs/dbraw/zinc/49/95/25/1369499525.db2.gz ZEPIIRNMDYNTAT-UHFFFAOYSA-N 2 2 347.503 3.184 20 30 EGEDLP C=CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001202447198 1369774478 /nfs/dbraw/zinc/77/44/78/1369774478.db2.gz JITLFJJEUPXLOZ-QGZVFWFLSA-N 2 2 344.503 3.157 20 30 EGEDLP CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C12CCC2 ZINC001203015297 1369954060 /nfs/dbraw/zinc/95/40/60/1369954060.db2.gz WFTKQJODOIPOON-ROUUACIJSA-N 2 2 346.519 3.330 20 30 EGEDLP CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C12CCC2 ZINC001203015297 1369954064 /nfs/dbraw/zinc/95/40/64/1369954064.db2.gz WFTKQJODOIPOON-ROUUACIJSA-N 2 2 346.519 3.330 20 30 EGEDLP C=CCCC[N@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001132131699 1375161911 /nfs/dbraw/zinc/16/19/11/1375161911.db2.gz IMLCSBOORVTGTG-GDBMZVCRSA-N 2 2 326.444 3.112 20 30 EGEDLP C=CCCC[N@@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001132131699 1375161913 /nfs/dbraw/zinc/16/19/13/1375161913.db2.gz IMLCSBOORVTGTG-GDBMZVCRSA-N 2 2 326.444 3.112 20 30 EGEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C ZINC001133270602 1375886229 /nfs/dbraw/zinc/88/62/29/1375886229.db2.gz KNMBHOWKPORONW-FUHWJXTLSA-N 2 2 346.519 3.081 20 30 EGEDLP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001134369473 1376497561 /nfs/dbraw/zinc/49/75/61/1376497561.db2.gz MNTUXHQQBFFNCD-LSDHHAIUSA-N 2 2 328.460 3.095 20 30 EGEDLP C#Cc1ccc(C[N@H+]2CCc3ccc(OC)cc3C23CC[NH2+]CC3)cc1 ZINC001235018581 1376828162 /nfs/dbraw/zinc/82/81/62/1376828162.db2.gz JVTIGVVFVCNTMQ-UHFFFAOYSA-N 2 2 346.474 3.314 20 30 EGEDLP C#Cc1ccc(C[N@@H+]2CCc3ccc(OC)cc3C23CC[NH2+]CC3)cc1 ZINC001235018581 1376828168 /nfs/dbraw/zinc/82/81/68/1376828168.db2.gz JVTIGVVFVCNTMQ-UHFFFAOYSA-N 2 2 346.474 3.314 20 30 EGEDLP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135097752 1376896102 /nfs/dbraw/zinc/89/61/02/1376896102.db2.gz PRAAQVIDGLTKFN-IAGOWNOFSA-N 2 2 340.471 3.325 20 30 EGEDLP N#Cc1ccc(CC[N@@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236389057 1376952463 /nfs/dbraw/zinc/95/24/63/1376952463.db2.gz RVHWZRSXQNARBC-NRFANRHFSA-N 2 2 337.442 3.494 20 30 EGEDLP N#Cc1ccc(CC[N@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236389057 1376952471 /nfs/dbraw/zinc/95/24/71/1376952471.db2.gz RVHWZRSXQNARBC-NRFANRHFSA-N 2 2 337.442 3.494 20 30 EGEDLP CCCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001136056790 1377317294 /nfs/dbraw/zinc/31/72/94/1377317294.db2.gz VDBBGWIGCDSNDS-SJORKVTESA-N 2 2 336.524 3.196 20 30 EGEDLP C[NH+]1CCC([N@H+](Cc2ccc(OCC#N)cc2)C2CCCC2)CC1 ZINC001137124249 1377482549 /nfs/dbraw/zinc/48/25/49/1377482549.db2.gz YXVWJNCJFKZVTI-UHFFFAOYSA-N 2 2 327.472 3.428 20 30 EGEDLP C[NH+]1CCC([N@@H+](Cc2ccc(OCC#N)cc2)C2CCCC2)CC1 ZINC001137124249 1377482550 /nfs/dbraw/zinc/48/25/50/1377482550.db2.gz YXVWJNCJFKZVTI-UHFFFAOYSA-N 2 2 327.472 3.428 20 30 EGEDLP N#Cc1cc[nH]c1C[NH+]1CCC2(C[NH+](CCCC(F)(F)F)C2)CC1 ZINC001276837425 1378188454 /nfs/dbraw/zinc/18/84/54/1378188454.db2.gz BOYFOSVYPVEBTF-UHFFFAOYSA-N 2 2 340.393 3.127 20 30 EGEDLP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(C#N)c(SC)n2)CC1 ZINC001141945889 1378397020 /nfs/dbraw/zinc/39/70/20/1378397020.db2.gz QMTODQPMSDREGM-UHFFFAOYSA-N 2 2 332.517 3.371 20 30 EGEDLP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(C#N)c(SC)n2)CC1 ZINC001141945889 1378397023 /nfs/dbraw/zinc/39/70/23/1378397023.db2.gz QMTODQPMSDREGM-UHFFFAOYSA-N 2 2 332.517 3.371 20 30 EGEDLP C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001155321239 1380436899 /nfs/dbraw/zinc/43/68/99/1380436899.db2.gz IGBXKGVEGKIRFU-KZNAEPCWSA-N 2 2 346.519 3.097 20 30 EGEDLP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001155321239 1380436900 /nfs/dbraw/zinc/43/69/00/1380436900.db2.gz IGBXKGVEGKIRFU-KZNAEPCWSA-N 2 2 346.519 3.097 20 30 EGEDLP C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001158185264 1381150936 /nfs/dbraw/zinc/15/09/36/1381150936.db2.gz GJQLULRNEGRTRI-MRXNPFEDSA-N 2 2 346.862 3.013 20 30 EGEDLP C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001158185264 1381150942 /nfs/dbraw/zinc/15/09/42/1381150942.db2.gz GJQLULRNEGRTRI-MRXNPFEDSA-N 2 2 346.862 3.013 20 30 EGEDLP Cc1cc(N2CCN(c3cc(CC#N)cc[nH+]3)CC2)c2ccccc2[nH+]1 ZINC001164199430 1383165277 /nfs/dbraw/zinc/16/52/77/1383165277.db2.gz RHJRIPNQJJPWFK-UHFFFAOYSA-N 2 2 343.434 3.331 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3Cc4cccc(F)c4C3)CC2)cc1 ZINC001171776063 1384632379 /nfs/dbraw/zinc/63/23/79/1384632379.db2.gz NOVPLUCUORJZSP-FQEVSTJZSA-N 2 2 349.453 3.419 20 30 EGEDLP CCCCCCC[C@@H](CC)[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001172353993 1384776269 /nfs/dbraw/zinc/77/62/69/1384776269.db2.gz CZBPAKIEHFMUHL-HXUWFJFHSA-N 2 2 339.568 3.075 20 30 EGEDLP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001175210283 1385220973 /nfs/dbraw/zinc/22/09/73/1385220973.db2.gz SZJAEMQZTUBEDM-CVEARBPZSA-N 2 2 332.492 3.060 20 30 EGEDLP C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001176350918 1385560129 /nfs/dbraw/zinc/56/01/29/1385560129.db2.gz NBUZRUFUISHMOM-INIZCTEOSA-N 2 2 334.508 3.272 20 30 EGEDLP C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001179558358 1386514699 /nfs/dbraw/zinc/51/46/99/1386514699.db2.gz UADDNWMCSYWJCK-INIZCTEOSA-N 2 2 332.492 3.062 20 30 EGEDLP COC1CC[NH+](C(C)(C)C[NH2+]C2CC(C#N)(c3ccccc3)C2)CC1 ZINC001320688165 1386692796 /nfs/dbraw/zinc/69/27/96/1386692796.db2.gz BEFRIGAHGOKAPM-UHFFFAOYSA-N 2 2 341.499 3.089 20 30 EGEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001752802394 1440215267 /nfs/dbraw/zinc/21/52/67/1440215267.db2.gz GAUVSSSTAUXWMG-IRXDYDNUSA-N 2 2 340.471 3.131 20 30 EGEDLP C=CCC[C@H](C)[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001753330442 1440369024 /nfs/dbraw/zinc/36/90/24/1440369024.db2.gz JHHQSECFCYVYIY-ROUUACIJSA-N 2 2 346.519 3.110 20 30 EGEDLP C=CCC[C@H](C)[N@H+]1CC[C@H](CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001753330442 1440369025 /nfs/dbraw/zinc/36/90/25/1440369025.db2.gz JHHQSECFCYVYIY-ROUUACIJSA-N 2 2 346.519 3.110 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3cccc4c3OCO4)CC2)cc1 ZINC000181550803 234228284 /nfs/dbraw/zinc/22/82/84/234228284.db2.gz GAHQXYKYQJEJIW-UHFFFAOYSA-N 2 2 349.434 3.041 20 30 EGEDLP C[C@H]1C[C@@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)C[N@@H+]1C1CC1 ZINC000119563854 152214851 /nfs/dbraw/zinc/21/48/51/152214851.db2.gz SVGHDXYTCBOSML-DGZYCVBISA-N 2 2 339.483 3.463 20 30 EGEDLP C[C@H]1C[C@@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)C[N@H+]1C1CC1 ZINC000119563854 152214854 /nfs/dbraw/zinc/21/48/54/152214854.db2.gz SVGHDXYTCBOSML-DGZYCVBISA-N 2 2 339.483 3.463 20 30 EGEDLP C[C@H](C[C@@H]1CCCO1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344111161 164105956 /nfs/dbraw/zinc/10/59/56/164105956.db2.gz UQOXAGDEOWNLAS-UZLBHIALSA-N 2 2 327.472 3.070 20 30 EGEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2Cl)[C@H](C)C1 ZINC000346528602 164392077 /nfs/dbraw/zinc/39/20/77/164392077.db2.gz CJUPQNDCEQBPML-DNVCBOLYSA-N 2 2 349.906 3.438 20 30 EGEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2Cl)[C@H](C)C1 ZINC000346528602 164392079 /nfs/dbraw/zinc/39/20/79/164392079.db2.gz CJUPQNDCEQBPML-DNVCBOLYSA-N 2 2 349.906 3.438 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)CC2)cc1 ZINC000290665189 268065167 /nfs/dbraw/zinc/06/51/67/268065167.db2.gz ZYFFOZUEALUKTR-XPWALMASSA-N 2 2 343.474 3.451 20 30 EGEDLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360658450 278172819 /nfs/dbraw/zinc/17/28/19/278172819.db2.gz SRNBCMLZBXJXMI-UZLBHIALSA-N 2 2 327.472 3.026 20 30 EGEDLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CCc4ccc(C#N)cc43)[nH+]c2)C1 ZINC000570556068 317072718 /nfs/dbraw/zinc/07/27/18/317072718.db2.gz ODGKVJPNGWHATQ-QUCCMNQESA-N 2 2 347.466 3.193 20 30 EGEDLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000579017159 325050964 /nfs/dbraw/zinc/05/09/64/325050964.db2.gz KKZXQALFZKHTJX-HXUWFJFHSA-N 2 2 340.515 3.381 20 30 EGEDLP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000579017159 325050968 /nfs/dbraw/zinc/05/09/68/325050968.db2.gz KKZXQALFZKHTJX-HXUWFJFHSA-N 2 2 340.515 3.381 20 30 EGEDLP CO[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000181843883 455387979 /nfs/dbraw/zinc/38/79/79/455387979.db2.gz QJAKNRUCPLPLAB-LJQANCHMSA-N 2 2 329.488 3.173 20 30 EGEDLP C=CC[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)Cc1cccc(C#N)c1 ZINC000177059230 454817303 /nfs/dbraw/zinc/81/73/03/454817303.db2.gz NQRZQTYUHRLQEM-UHFFFAOYSA-N 2 2 329.407 3.327 20 30 EGEDLP C=CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)Cc1cccc(C#N)c1 ZINC000177059230 454817305 /nfs/dbraw/zinc/81/73/05/454817305.db2.gz NQRZQTYUHRLQEM-UHFFFAOYSA-N 2 2 329.407 3.327 20 30 EGEDLP CO[C@@]1(C)C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000181844409 455389289 /nfs/dbraw/zinc/38/92/89/455389289.db2.gz VFRGHXYBVOOYNE-FPOVZHCZSA-N 2 2 341.499 3.316 20 30 EGEDLP COc1cc(C[NH+](C)[C@H](C)CC#N)cc(C[N@H+](C)[C@@H](C)CC#N)c1 ZINC000292681080 455730027 /nfs/dbraw/zinc/73/00/27/455730027.db2.gz RCEAUNIXZXXCJI-IYBDPMFKSA-N 2 2 328.460 3.163 20 30 EGEDLP COc1cc(C[NH+](C)[C@H](C)CC#N)cc(C[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000292681080 455730030 /nfs/dbraw/zinc/73/00/30/455730030.db2.gz RCEAUNIXZXXCJI-IYBDPMFKSA-N 2 2 328.460 3.163 20 30 EGEDLP COc1cc(C[NH+](C)[C@@H](C)CC#N)cc(C[N@H+](C)[C@H](C)CC#N)c1 ZINC000292681080 455730035 /nfs/dbraw/zinc/73/00/35/455730035.db2.gz RCEAUNIXZXXCJI-IYBDPMFKSA-N 2 2 328.460 3.163 20 30 EGEDLP COc1cc(C[NH+](C)[C@@H](C)CC#N)cc(C[N@@H+](C)[C@H](C)CC#N)c1 ZINC000292681080 455730038 /nfs/dbraw/zinc/73/00/38/455730038.db2.gz RCEAUNIXZXXCJI-IYBDPMFKSA-N 2 2 328.460 3.163 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(-c3cnn(C)c3)s2)CC1 ZINC000282184803 456436610 /nfs/dbraw/zinc/43/66/10/456436610.db2.gz GQFKKGKOYMOROJ-UHFFFAOYSA-N 2 2 330.501 3.279 20 30 EGEDLP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000353215013 456564960 /nfs/dbraw/zinc/56/49/60/456564960.db2.gz VQNQFBOQYJBYKF-OXJNMPFZSA-N 2 2 335.451 3.319 20 30 EGEDLP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000353215013 456564962 /nfs/dbraw/zinc/56/49/62/456564962.db2.gz VQNQFBOQYJBYKF-OXJNMPFZSA-N 2 2 335.451 3.319 20 30 EGEDLP N#Cc1ccc(F)c(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000348315226 456617416 /nfs/dbraw/zinc/61/74/16/456617416.db2.gz HYGDDSXXFCDVFY-WOJBJXKFSA-N 2 2 335.426 3.261 20 30 EGEDLP N#Cc1cccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1F ZINC000348331665 456629748 /nfs/dbraw/zinc/62/97/48/456629748.db2.gz RBFMCJYLDGFHTA-WOJBJXKFSA-N 2 2 335.426 3.261 20 30 EGEDLP C[C@@H]1CCCC[N@@H+]1CCC(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329166519 456846927 /nfs/dbraw/zinc/84/69/27/456846927.db2.gz HUBGNGZJDSPNEN-QAPCUYQASA-N 2 2 348.491 3.109 20 30 EGEDLP C[C@@H]1CCCC[N@H+]1CCC(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329166519 456846934 /nfs/dbraw/zinc/84/69/34/456846934.db2.gz HUBGNGZJDSPNEN-QAPCUYQASA-N 2 2 348.491 3.109 20 30 EGEDLP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cccc(F)c3C#N)CC2)C[C@@H](C)O1 ZINC000428240391 458105044 /nfs/dbraw/zinc/10/50/44/458105044.db2.gz IPLAYXPAEBNQLE-HZPDHXFCSA-N 2 2 345.462 3.019 20 30 EGEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](Cc3ccncc3)CC1)CC2 ZINC000520293658 459047622 /nfs/dbraw/zinc/04/76/22/459047622.db2.gz FVXFCQZONQGEOX-NRFANRHFSA-N 2 2 332.451 3.195 20 30 EGEDLP C=CCc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc(OC)c1O ZINC000567899003 459186940 /nfs/dbraw/zinc/18/69/40/459186940.db2.gz KTWPWLNHNMAUDH-ZWKOTPCHSA-N 2 2 330.472 3.236 20 30 EGEDLP C=CCc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc(OC)c1O ZINC000567899003 459186942 /nfs/dbraw/zinc/18/69/42/459186942.db2.gz KTWPWLNHNMAUDH-ZWKOTPCHSA-N 2 2 330.472 3.236 20 30 EGEDLP C#CC[N@H+](C)CCC[NH2+][C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000491073009 459596228 /nfs/dbraw/zinc/59/62/28/459596228.db2.gz WZKBGGLLJSUDOS-FQEVSTJZSA-N 2 2 325.431 3.163 20 30 EGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000491073009 459596234 /nfs/dbraw/zinc/59/62/34/459596234.db2.gz WZKBGGLLJSUDOS-FQEVSTJZSA-N 2 2 325.431 3.163 20 30 EGEDLP Cc1ncsc1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593692333 459953282 /nfs/dbraw/zinc/95/32/82/459953282.db2.gz BUAFIOWKEFWJEZ-UHFFFAOYSA-N 2 2 326.469 3.077 20 30 EGEDLP CO[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593693361 459954718 /nfs/dbraw/zinc/95/47/18/459954718.db2.gz VWSFBCGHAGFRQM-WOJBJXKFSA-N 2 2 327.472 3.070 20 30 EGEDLP N#Cc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)n1 ZINC000602475619 459956912 /nfs/dbraw/zinc/95/69/12/459956912.db2.gz PZSNURHOMHHUHV-JOCHJYFZSA-N 2 2 346.478 3.441 20 30 EGEDLP N#Cc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)n1 ZINC000602475619 459956917 /nfs/dbraw/zinc/95/69/17/459956917.db2.gz PZSNURHOMHHUHV-JOCHJYFZSA-N 2 2 346.478 3.441 20 30 EGEDLP N#Cc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n1 ZINC000602475619 459956924 /nfs/dbraw/zinc/95/69/24/459956924.db2.gz PZSNURHOMHHUHV-JOCHJYFZSA-N 2 2 346.478 3.441 20 30 EGEDLP N#Cc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)n1 ZINC000602475619 459956931 /nfs/dbraw/zinc/95/69/31/459956931.db2.gz PZSNURHOMHHUHV-JOCHJYFZSA-N 2 2 346.478 3.441 20 30 EGEDLP C[C@H](CC1CCOCC1)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593703895 459957890 /nfs/dbraw/zinc/95/78/90/459957890.db2.gz XXZALSWDTICJPS-QGZVFWFLSA-N 2 2 341.499 3.317 20 30 EGEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(C#N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000602478189 459958723 /nfs/dbraw/zinc/95/87/23/459958723.db2.gz ZXJZEEKEGJTNIO-UTKZUKDTSA-N 2 2 334.467 3.438 20 30 EGEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(C#N)n2)CC[N@H+]1Cc1ccccc1 ZINC000602478189 459958725 /nfs/dbraw/zinc/95/87/25/459958725.db2.gz ZXJZEEKEGJTNIO-UTKZUKDTSA-N 2 2 334.467 3.438 20 30 EGEDLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(C#N)n2)CC[NH+]1Cc1ccccc1 ZINC000602478189 459958729 /nfs/dbraw/zinc/95/87/29/459958729.db2.gz ZXJZEEKEGJTNIO-UTKZUKDTSA-N 2 2 334.467 3.438 20 30 EGEDLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(C#N)n2)CC[NH+]1Cc1ccccc1 ZINC000602478189 459958736 /nfs/dbraw/zinc/95/87/36/459958736.db2.gz ZXJZEEKEGJTNIO-UTKZUKDTSA-N 2 2 334.467 3.438 20 30 EGEDLP Cc1ccc([C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)[NH+]2CCCC2)cc1 ZINC000598720659 460006407 /nfs/dbraw/zinc/00/64/07/460006407.db2.gz PERQSPBVDNCHJM-MOPGFXCFSA-N 2 2 329.488 3.022 20 30 EGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000602615443 460025111 /nfs/dbraw/zinc/02/51/11/460025111.db2.gz CPCSMAKCAMUPLG-NSHGMRRFSA-N 2 2 341.499 3.195 20 30 EGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000602615443 460025117 /nfs/dbraw/zinc/02/51/17/460025117.db2.gz CPCSMAKCAMUPLG-NSHGMRRFSA-N 2 2 341.499 3.195 20 30 EGEDLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(C#N)n1 ZINC000602656406 460047035 /nfs/dbraw/zinc/04/70/35/460047035.db2.gz ALDKZDRMJYDWBI-FQEVSTJZSA-N 2 2 334.467 3.344 20 30 EGEDLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(C#N)n1 ZINC000602656406 460047036 /nfs/dbraw/zinc/04/70/36/460047036.db2.gz ALDKZDRMJYDWBI-FQEVSTJZSA-N 2 2 334.467 3.344 20 30 EGEDLP CC[C@@H](C)[C@H](C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)OC ZINC000602706432 460076865 /nfs/dbraw/zinc/07/68/65/460076865.db2.gz PGSIQCAECXDSGQ-UZLBHIALSA-N 2 2 329.488 3.173 20 30 EGEDLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000611407024 460356643 /nfs/dbraw/zinc/35/66/43/460356643.db2.gz VCGFFJBGBMRSQC-NHCUHLMSSA-N 2 2 337.467 3.114 20 30 EGEDLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000611407024 460356646 /nfs/dbraw/zinc/35/66/46/460356646.db2.gz VCGFFJBGBMRSQC-NHCUHLMSSA-N 2 2 337.467 3.114 20 30 EGEDLP C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1OC ZINC000628174101 461033758 /nfs/dbraw/zinc/03/37/58/461033758.db2.gz XBUDIPXAFIZVLW-AWEZNQCLSA-N 2 2 338.879 3.297 20 30 EGEDLP C=CCOc1c(Cl)cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1OC ZINC000628174101 461033761 /nfs/dbraw/zinc/03/37/61/461033761.db2.gz XBUDIPXAFIZVLW-AWEZNQCLSA-N 2 2 338.879 3.297 20 30 EGEDLP C=CCOc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000655857548 461505892 /nfs/dbraw/zinc/50/58/92/461505892.db2.gz VUGXLBMJKPZNJC-ZWKOTPCHSA-N 2 2 330.472 3.367 20 30 EGEDLP C=CCOc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1OC ZINC000655857548 461505909 /nfs/dbraw/zinc/50/59/09/461505909.db2.gz VUGXLBMJKPZNJC-ZWKOTPCHSA-N 2 2 330.472 3.367 20 30 EGEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000653590578 461745256 /nfs/dbraw/zinc/74/52/56/461745256.db2.gz MRIGJNMWAZQLFY-HNNXBMFYSA-N 2 2 349.356 3.160 20 30 EGEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000653590578 461745263 /nfs/dbraw/zinc/74/52/63/461745263.db2.gz MRIGJNMWAZQLFY-HNNXBMFYSA-N 2 2 349.356 3.160 20 30 EGEDLP C#CCOc1ccccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000116385203 1293204750 /nfs/dbraw/zinc/20/47/50/1293204750.db2.gz LNQTXCDSUWLJMN-NQIIRXRSSA-N 2 2 349.478 3.094 20 30 EGEDLP C#CCOc1ccccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000116385203 1293204756 /nfs/dbraw/zinc/20/47/56/1293204756.db2.gz LNQTXCDSUWLJMN-NQIIRXRSSA-N 2 2 349.478 3.094 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000177912475 1294702047 /nfs/dbraw/zinc/70/20/47/1294702047.db2.gz GTDRSRKYRXSFDD-MRXNPFEDSA-N 2 2 327.472 3.114 20 30 EGEDLP Cc1ccc(NC(=[NH2+])NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1C ZINC000303782273 1296856085 /nfs/dbraw/zinc/85/60/85/1296856085.db2.gz NBZXWGVNVKXVCI-GOSISDBHSA-N 2 2 328.435 3.472 20 30 EGEDLP CCc1ccc(NC(=[NH2+])NC[C@@H](C(CC)CC)[NH+]2CCOCC2)cc1 ZINC000303792465 1296858685 /nfs/dbraw/zinc/85/86/85/1296858685.db2.gz YOAAHKVESHQHFF-IBGZPJMESA-N 2 2 346.519 3.113 20 30 EGEDLP CCc1cccc(NC(=[NH2+])NCC[N@@H+]2CCc3sccc3C2)c1 ZINC000303879656 1296866773 /nfs/dbraw/zinc/86/67/73/1296866773.db2.gz JTBAYHPNSGQDIV-UHFFFAOYSA-N 2 2 328.485 3.095 20 30 EGEDLP CCc1cccc(NC(=[NH2+])NCC[N@H+]2CCc3sccc3C2)c1 ZINC000303879656 1296866789 /nfs/dbraw/zinc/86/67/89/1296866789.db2.gz JTBAYHPNSGQDIV-UHFFFAOYSA-N 2 2 328.485 3.095 20 30 EGEDLP CC(C)CCC[C@H](C)NC(=[NH2+])NCc1ccccc1-n1cc[nH+]c1 ZINC000303896617 1296872703 /nfs/dbraw/zinc/87/27/03/1296872703.db2.gz UPSBCBBRGWQERT-INIZCTEOSA-N 2 2 327.476 3.491 20 30 EGEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCOc2cccc(Cl)c2)cc1 ZINC000747838803 1298867967 /nfs/dbraw/zinc/86/79/67/1298867967.db2.gz LXSVVUREADXANE-UHFFFAOYSA-N 2 2 347.846 3.118 20 30 EGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(OC)cc1Br ZINC000815652447 1319037925 /nfs/dbraw/zinc/03/79/25/1319037925.db2.gz CRRVLKZFDSKXMK-CYBMUJFWSA-N 2 2 339.277 3.063 20 30 EGEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(OC)cc1Br ZINC000815652447 1319037935 /nfs/dbraw/zinc/03/79/35/1319037935.db2.gz CRRVLKZFDSKXMK-CYBMUJFWSA-N 2 2 339.277 3.063 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001023369217 1319482845 /nfs/dbraw/zinc/48/28/45/1319482845.db2.gz CCOVVPOODAKWAG-KRWDZBQOSA-N 2 2 340.471 3.051 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001023369217 1319482849 /nfs/dbraw/zinc/48/28/49/1319482849.db2.gz CCOVVPOODAKWAG-KRWDZBQOSA-N 2 2 340.471 3.051 20 30 EGEDLP C=CC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000819023871 1319616196 /nfs/dbraw/zinc/61/61/96/1319616196.db2.gz KTPHKKAQGNZWEP-MRXNPFEDSA-N 2 2 329.271 3.267 20 30 EGEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024711929 1323618891 /nfs/dbraw/zinc/61/88/91/1323618891.db2.gz NCTVOGJNDFLYSV-SFHVURJKSA-N 2 2 349.906 3.085 20 30 EGEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024711929 1323618896 /nfs/dbraw/zinc/61/88/96/1323618896.db2.gz NCTVOGJNDFLYSV-SFHVURJKSA-N 2 2 349.906 3.085 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025481282 1324328438 /nfs/dbraw/zinc/32/84/38/1324328438.db2.gz GGBLCFXOFKSTNQ-DLBZAZTESA-N 2 2 340.471 3.131 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025481282 1324328443 /nfs/dbraw/zinc/32/84/43/1324328443.db2.gz GGBLCFXOFKSTNQ-DLBZAZTESA-N 2 2 340.471 3.131 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001028053733 1328519109 /nfs/dbraw/zinc/51/91/09/1328519109.db2.gz ITSBDOVVHXJOAI-LJQANCHMSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001028053733 1328519117 /nfs/dbraw/zinc/51/91/17/1328519117.db2.gz ITSBDOVVHXJOAI-LJQANCHMSA-N 2 2 338.455 3.033 20 30 EGEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000947878190 1333288756 /nfs/dbraw/zinc/28/87/56/1333288756.db2.gz LVCCWPNXEVRCLI-SJLPKXTDSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000947878190 1333288759 /nfs/dbraw/zinc/28/87/59/1333288759.db2.gz LVCCWPNXEVRCLI-SJLPKXTDSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)c3c(C)cc(C)[nH+]c3C)CC2)C1 ZINC001039147473 1344829451 /nfs/dbraw/zinc/82/94/51/1344829451.db2.gz WKXRGYCCACSKCB-IBGZPJMESA-N 2 2 341.499 3.367 20 30 EGEDLP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)c3c(C)cc(C)[nH+]c3C)CC2)C1 ZINC001039147473 1344829454 /nfs/dbraw/zinc/82/94/54/1344829454.db2.gz WKXRGYCCACSKCB-IBGZPJMESA-N 2 2 341.499 3.367 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001042116067 1345948770 /nfs/dbraw/zinc/94/87/70/1345948770.db2.gz GPAQHJQCAAWBDW-BEFAXECRSA-N 2 2 338.455 3.066 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001042116067 1345948771 /nfs/dbraw/zinc/94/87/71/1345948771.db2.gz GPAQHJQCAAWBDW-BEFAXECRSA-N 2 2 338.455 3.066 20 30 EGEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C2 ZINC001048548684 1347588195 /nfs/dbraw/zinc/58/81/95/1347588195.db2.gz LNAWAJGCPCXFLU-REPLKXPHSA-N 2 2 339.483 3.003 20 30 EGEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C2 ZINC001048548684 1347588198 /nfs/dbraw/zinc/58/81/98/1347588198.db2.gz LNAWAJGCPCXFLU-REPLKXPHSA-N 2 2 339.483 3.003 20 30 EGEDLP C=C(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001086919990 1359247465 /nfs/dbraw/zinc/24/74/65/1359247465.db2.gz DHZHFAFEGJVLEE-KRWDZBQOSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001088355363 1359839716 /nfs/dbraw/zinc/83/97/16/1359839716.db2.gz VPNMOCCLPSMJMB-GOSISDBHSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1C ZINC001088955365 1360113313 /nfs/dbraw/zinc/11/33/13/1360113313.db2.gz KDIYPDRHAKDMFC-APWZRJJASA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1C ZINC001088955365 1360113315 /nfs/dbraw/zinc/11/33/15/1360113315.db2.gz KDIYPDRHAKDMFC-APWZRJJASA-N 2 2 338.455 3.031 20 30 EGEDLP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001099117084 1363633563 /nfs/dbraw/zinc/63/35/63/1363633563.db2.gz ZKNFVTPVZKUSBR-MSOLQXFVSA-N 2 2 346.519 3.263 20 30 EGEDLP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001099117084 1363633565 /nfs/dbraw/zinc/63/35/65/1363633565.db2.gz ZKNFVTPVZKUSBR-MSOLQXFVSA-N 2 2 346.519 3.263 20 30 EGEDLP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001099252485 1363714714 /nfs/dbraw/zinc/71/47/14/1363714714.db2.gz WOZDENBTXRKROW-DLBZAZTESA-N 2 2 332.492 3.017 20 30 EGEDLP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001099252485 1363714719 /nfs/dbraw/zinc/71/47/19/1363714719.db2.gz WOZDENBTXRKROW-DLBZAZTESA-N 2 2 332.492 3.017 20 30 EGEDLP C=CCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001108699828 1367540452 /nfs/dbraw/zinc/54/04/52/1367540452.db2.gz MZWDUVLXWDBTII-UHOSZYNNSA-N 2 2 344.503 3.058 20 30 EGEDLP C=CCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001108699828 1367540457 /nfs/dbraw/zinc/54/04/57/1367540457.db2.gz MZWDUVLXWDBTII-UHOSZYNNSA-N 2 2 344.503 3.058 20 30 EGEDLP C=CCCCCC[NH2+]C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001202693704 1369853973 /nfs/dbraw/zinc/85/39/73/1369853973.db2.gz CMBQXEHYTNIZGW-QGZVFWFLSA-N 2 2 332.492 3.161 20 30 EGEDLP C=C(C)CC[NH2+]CC1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001205291655 1370709488 /nfs/dbraw/zinc/70/94/88/1370709488.db2.gz YRTPGEOMRUQQKD-UHFFFAOYSA-N 2 2 340.471 3.051 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001205512875 1370777384 /nfs/dbraw/zinc/77/73/84/1370777384.db2.gz VTNVZGQVADRPJK-MRXNPFEDSA-N 2 2 346.519 3.110 20 30 EGEDLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC001206555360 1371092682 /nfs/dbraw/zinc/09/26/82/1371092682.db2.gz JQWOABYTJWSLJN-INIZCTEOSA-N 2 2 336.277 3.272 20 30 EGEDLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC001206555360 1371092681 /nfs/dbraw/zinc/09/26/81/1371092681.db2.gz JQWOABYTJWSLJN-INIZCTEOSA-N 2 2 336.277 3.272 20 30 EGEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001208050532 1371581593 /nfs/dbraw/zinc/58/15/93/1371581593.db2.gz ZSXIWBMTICQHER-CRAIPNDOSA-N 2 2 340.471 3.192 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001208984690 1371967836 /nfs/dbraw/zinc/96/78/36/1371967836.db2.gz GDCBDWJNZWRWAF-KZNAEPCWSA-N 2 2 332.492 3.017 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001208984690 1371967840 /nfs/dbraw/zinc/96/78/40/1371967840.db2.gz GDCBDWJNZWRWAF-KZNAEPCWSA-N 2 2 332.492 3.017 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001209865598 1372217152 /nfs/dbraw/zinc/21/71/52/1372217152.db2.gz INBQWILZGXNJCB-QZTJIDSGSA-N 2 2 334.508 3.385 20 30 EGEDLP CCCCCCC[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001131976014 1375078533 /nfs/dbraw/zinc/07/85/33/1375078533.db2.gz GXMJOCLDEWWIIB-UHFFFAOYSA-N 2 2 328.460 3.162 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C ZINC001132444607 1375388365 /nfs/dbraw/zinc/38/83/65/1375388365.db2.gz CNWPYRDHQUYAIQ-NVXWUHKLSA-N 2 2 334.508 3.200 20 30 EGEDLP CCCCCCC[N@H+]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C ZINC001132444607 1375388368 /nfs/dbraw/zinc/38/83/68/1375388368.db2.gz CNWPYRDHQUYAIQ-NVXWUHKLSA-N 2 2 334.508 3.200 20 30 EGEDLP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001132874428 1375614986 /nfs/dbraw/zinc/61/49/86/1375614986.db2.gz HYZUOHZXHIGVOY-ROUUACIJSA-N 2 2 346.519 3.163 20 30 EGEDLP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001132874428 1375614989 /nfs/dbraw/zinc/61/49/89/1375614989.db2.gz HYZUOHZXHIGVOY-ROUUACIJSA-N 2 2 346.519 3.163 20 30 EGEDLP C=CCCC[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001132919800 1375644769 /nfs/dbraw/zinc/64/47/69/1375644769.db2.gz NFKZRRQDYYCNSH-RDJZCZTQSA-N 2 2 340.471 3.217 20 30 EGEDLP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001134369471 1376497364 /nfs/dbraw/zinc/49/73/64/1376497364.db2.gz MNTUXHQQBFFNCD-GJZGRUSLSA-N 2 2 328.460 3.095 20 30 EGEDLP C(#Cc1ccc(C[N@@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)cc1)c1ccccc1 ZINC001235113864 1376846357 /nfs/dbraw/zinc/84/63/57/1376846357.db2.gz HDGNMUHOVHIZOF-HSZRJFAPSA-N 2 2 346.474 3.041 20 30 EGEDLP C(#Cc1ccc(C[N@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)cc1)c1ccccc1 ZINC001235113864 1376846362 /nfs/dbraw/zinc/84/63/62/1376846362.db2.gz HDGNMUHOVHIZOF-HSZRJFAPSA-N 2 2 346.474 3.041 20 30 EGEDLP N#CCc1ccccc1C[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235254901 1376863694 /nfs/dbraw/zinc/86/36/94/1376863694.db2.gz RJAXKHYNRWOCMX-FGZHOGPDSA-N 2 2 331.463 3.474 20 30 EGEDLP N#CCc1ccccc1C[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235254901 1376863704 /nfs/dbraw/zinc/86/37/04/1376863704.db2.gz RJAXKHYNRWOCMX-FGZHOGPDSA-N 2 2 331.463 3.474 20 30 EGEDLP C=CCCCCC[N@H+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001148357396 1379156062 /nfs/dbraw/zinc/15/60/62/1379156062.db2.gz MHUVMYODQCCTHR-GOSISDBHSA-N 2 2 344.503 3.115 20 30 EGEDLP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001148357396 1379156063 /nfs/dbraw/zinc/15/60/63/1379156063.db2.gz MHUVMYODQCCTHR-GOSISDBHSA-N 2 2 344.503 3.115 20 30 EGEDLP C=C(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001158217447 1381162928 /nfs/dbraw/zinc/16/29/28/1381162928.db2.gz PIBXYZVYEHXXRP-QGZVFWFLSA-N 2 2 340.471 3.227 20 30 EGEDLP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001158217447 1381162929 /nfs/dbraw/zinc/16/29/29/1381162929.db2.gz PIBXYZVYEHXXRP-QGZVFWFLSA-N 2 2 340.471 3.227 20 30 EGEDLP Cc1cccn2c([C@H](C)Nc3ncc4c(c3C#N)CCC[NH2+]C4)c[nH+]c12 ZINC001160684059 1382170010 /nfs/dbraw/zinc/17/00/10/1382170010.db2.gz XFEUXCBTXUTAKZ-AWEZNQCLSA-N 2 2 346.438 3.118 20 30 EGEDLP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161433734 1382408667 /nfs/dbraw/zinc/40/86/67/1382408667.db2.gz ILCGJLAOQDTAHJ-DLBZAZTESA-N 2 2 344.503 3.081 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161433734 1382408669 /nfs/dbraw/zinc/40/86/69/1382408669.db2.gz ILCGJLAOQDTAHJ-DLBZAZTESA-N 2 2 344.503 3.081 20 30 EGEDLP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161433734 1382408672 /nfs/dbraw/zinc/40/86/72/1382408672.db2.gz ILCGJLAOQDTAHJ-DLBZAZTESA-N 2 2 344.503 3.081 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161433734 1382408674 /nfs/dbraw/zinc/40/86/74/1382408674.db2.gz ILCGJLAOQDTAHJ-DLBZAZTESA-N 2 2 344.503 3.081 20 30 EGEDLP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001171605409 1384577739 /nfs/dbraw/zinc/57/77/39/1384577739.db2.gz NHUUZORTJVXQJS-WBVHZDCISA-N 2 2 346.519 3.054 20 30 EGEDLP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001171605409 1384577742 /nfs/dbraw/zinc/57/77/42/1384577742.db2.gz NHUUZORTJVXQJS-WBVHZDCISA-N 2 2 346.519 3.054 20 30 EGEDLP CCCCCCC[NH2+]CCCCCCNC(=O)Cc1c[nH+]cn1C ZINC001180065070 1386685535 /nfs/dbraw/zinc/68/55/35/1386685535.db2.gz GYIMYMKXGYITMS-UHFFFAOYSA-N 2 2 336.524 3.199 20 30 EGEDLP C=CCCCCC[NH2+]CCCCCCNC(=O)CCc1c[nH+]cn1C ZINC001180179335 1386722708 /nfs/dbraw/zinc/72/27/08/1386722708.db2.gz QRYFKULQHNQLCB-UHFFFAOYSA-N 2 2 348.535 3.365 20 30 EGEDLP C=C(Cl)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715386003 1420083181 /nfs/dbraw/zinc/08/31/81/1420083181.db2.gz KGKDZDUVURDISE-SJKOYZFVSA-N 2 2 346.862 3.146 20 30 EGEDLP C=C(Cl)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001715563920 1420254918 /nfs/dbraw/zinc/25/49/18/1420254918.db2.gz HQVGANVFJSGOPQ-CVEARBPZSA-N 2 2 335.879 3.247 20 30 EGEDLP C=CCCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001752835812 1440227700 /nfs/dbraw/zinc/22/77/00/1440227700.db2.gz IAYAZRSWLNOSHO-SJORKVTESA-N 2 2 340.471 3.131 20 30 EGEDLP C=CCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001752835812 1440227701 /nfs/dbraw/zinc/22/77/01/1440227701.db2.gz IAYAZRSWLNOSHO-SJORKVTESA-N 2 2 340.471 3.131 20 30 EGEDLP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001753349000 1440376956 /nfs/dbraw/zinc/37/69/56/1440376956.db2.gz GZFPBLGOPSAIBE-QGZVFWFLSA-N 2 2 340.471 3.003 20 30 EGEDLP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001753349000 1440376957 /nfs/dbraw/zinc/37/69/57/1440376957.db2.gz GZFPBLGOPSAIBE-QGZVFWFLSA-N 2 2 340.471 3.003 20 30 EGEDLP C=CCC[C@H](C)[N@@H+]1CC[C@](C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001754669661 1440657685 /nfs/dbraw/zinc/65/76/85/1440657685.db2.gz DXNZJSXKUFRKJO-YWZLYKJASA-N 2 2 340.471 3.192 20 30 EGEDLP C=CCC[C@H](C)[N@H+]1CC[C@](C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001754669661 1440657686 /nfs/dbraw/zinc/65/76/86/1440657686.db2.gz DXNZJSXKUFRKJO-YWZLYKJASA-N 2 2 340.471 3.192 20 30 EGEDLP COc1ccc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)cc1C#N ZINC000174413843 533663496 /nfs/dbraw/zinc/66/34/96/533663496.db2.gz ZRNVLJFNNVQWEI-UHFFFAOYSA-N 2 2 334.423 3.176 20 30 EGEDLP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2ccc(C#N)o2)C[C@H](C)O1 ZINC000237621488 141010732 /nfs/dbraw/zinc/01/07/32/141010732.db2.gz ZCUYLSSYPBLUHD-HOTGVXAUSA-N 2 2 339.439 3.050 20 30 EGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccncc1F ZINC000338010947 141073057 /nfs/dbraw/zinc/07/30/57/141073057.db2.gz JGEGDZGBMDLKEY-HNNXBMFYSA-N 2 2 338.430 3.408 20 30 EGEDLP C[C@@H](C[C@H]1CCCO1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344111157 164105653 /nfs/dbraw/zinc/10/56/53/164105653.db2.gz UQOXAGDEOWNLAS-OXJNMPFZSA-N 2 2 327.472 3.070 20 30 EGEDLP CC[C@H](C)[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)OC ZINC000294819930 270042343 /nfs/dbraw/zinc/04/23/43/270042343.db2.gz OTYYIRFBNKJIEH-OXJNMPFZSA-N 2 2 329.488 3.173 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3ccccc3F)CC2)cc1 ZINC000181408402 268065874 /nfs/dbraw/zinc/06/58/74/268065874.db2.gz YBNLZKYZHARNGL-UHFFFAOYSA-N 2 2 337.442 3.494 20 30 EGEDLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000580147155 325208662 /nfs/dbraw/zinc/20/86/62/325208662.db2.gz VSLGXYHUVFEOJG-UWJYYQICSA-N 2 2 334.467 3.438 20 30 EGEDLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)cn2)CC[N@H+]1Cc1ccccc1 ZINC000580147155 325208665 /nfs/dbraw/zinc/20/86/65/325208665.db2.gz VSLGXYHUVFEOJG-UWJYYQICSA-N 2 2 334.467 3.438 20 30 EGEDLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)cn2)CC[NH+]1Cc1ccccc1 ZINC000580147155 325208668 /nfs/dbraw/zinc/20/86/68/325208668.db2.gz VSLGXYHUVFEOJG-UWJYYQICSA-N 2 2 334.467 3.438 20 30 EGEDLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cn2)CC[NH+]1Cc1ccccc1 ZINC000580147155 325208670 /nfs/dbraw/zinc/20/86/70/325208670.db2.gz VSLGXYHUVFEOJG-UWJYYQICSA-N 2 2 334.467 3.438 20 30 EGEDLP CC(C)C[C@@H](CCO)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181843049 455388171 /nfs/dbraw/zinc/38/81/71/455388171.db2.gz AQKZGGRHTGJGEU-HXUWFJFHSA-N 2 2 343.515 3.157 20 30 EGEDLP CO[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000181843905 455388193 /nfs/dbraw/zinc/38/81/93/455388193.db2.gz QJAKNRUCPLPLAB-IBGZPJMESA-N 2 2 329.488 3.173 20 30 EGEDLP CCN(CC)c1ccc(/C=[NH+]/[C@H]2CCN(c3cccc[nH+]3)C2)c(O)c1 ZINC000133119493 454393955 /nfs/dbraw/zinc/39/39/55/454393955.db2.gz NDZHYEVRVUAFLC-NIZGNDASSA-N 2 2 338.455 3.331 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2OCC)CC1 ZINC000106245438 454687903 /nfs/dbraw/zinc/68/79/03/454687903.db2.gz KIQSTPGHASWWQD-UHFFFAOYSA-N 2 2 333.432 3.124 20 30 EGEDLP FC(F)(F)c1ccc(C#CC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000177266706 454844699 /nfs/dbraw/zinc/84/46/99/454844699.db2.gz YUBNMFLBDRTFMF-KRWDZBQOSA-N 2 2 336.401 3.475 20 30 EGEDLP FC(F)(F)c1ccc(C#CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000177266706 454844702 /nfs/dbraw/zinc/84/47/02/454844702.db2.gz YUBNMFLBDRTFMF-KRWDZBQOSA-N 2 2 336.401 3.475 20 30 EGEDLP C[N@@H+](Cc1ccc(C#N)cc1Br)C[C@@H]1CCC[NH+](C)C1 ZINC000181119265 455290878 /nfs/dbraw/zinc/29/08/78/455290878.db2.gz SCXQFHHSLLLGMH-CQSZACIVSA-N 2 2 336.277 3.094 20 30 EGEDLP C[N@H+](Cc1ccc(C#N)cc1Br)C[C@@H]1CCC[NH+](C)C1 ZINC000181119265 455290881 /nfs/dbraw/zinc/29/08/81/455290881.db2.gz SCXQFHHSLLLGMH-CQSZACIVSA-N 2 2 336.277 3.094 20 30 EGEDLP C[NH+](Cc1ccc(C#N)cc1Br)C[C@@H]1CCC[N@H+](C)C1 ZINC000181119265 455290885 /nfs/dbraw/zinc/29/08/85/455290885.db2.gz SCXQFHHSLLLGMH-CQSZACIVSA-N 2 2 336.277 3.094 20 30 EGEDLP C[NH+](Cc1ccc(C#N)cc1Br)C[C@@H]1CCC[N@@H+](C)C1 ZINC000181119265 455290890 /nfs/dbraw/zinc/29/08/90/455290890.db2.gz SCXQFHHSLLLGMH-CQSZACIVSA-N 2 2 336.277 3.094 20 30 EGEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000247038576 455549379 /nfs/dbraw/zinc/54/93/79/455549379.db2.gz RQSOWSJSXZDJJU-HSALFYBXSA-N 2 2 347.547 3.162 20 30 EGEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000247038576 455549384 /nfs/dbraw/zinc/54/93/84/455549384.db2.gz RQSOWSJSXZDJJU-HSALFYBXSA-N 2 2 347.547 3.162 20 30 EGEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000247038576 455549390 /nfs/dbraw/zinc/54/93/90/455549390.db2.gz RQSOWSJSXZDJJU-HSALFYBXSA-N 2 2 347.547 3.162 20 30 EGEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000247038576 455549395 /nfs/dbraw/zinc/54/93/95/455549395.db2.gz RQSOWSJSXZDJJU-HSALFYBXSA-N 2 2 347.547 3.162 20 30 EGEDLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H]3CCC[C@@H](C#N)C3)CC2)c1 ZINC000185766064 455618582 /nfs/dbraw/zinc/61/85/82/455618582.db2.gz XKCIBOWVCIFPCI-WOJBJXKFSA-N 2 2 340.515 3.179 20 30 EGEDLP COC1(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000292874158 455764978 /nfs/dbraw/zinc/76/49/78/455764978.db2.gz DMFPPQWPGMZMBK-UHFFFAOYSA-N 2 2 327.472 3.071 20 30 EGEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000250280491 455786710 /nfs/dbraw/zinc/78/67/10/455786710.db2.gz DBIRWWVANVLLHC-UXHICEINSA-N 2 2 347.547 3.019 20 30 EGEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000250280491 455786711 /nfs/dbraw/zinc/78/67/11/455786711.db2.gz DBIRWWVANVLLHC-UXHICEINSA-N 2 2 347.547 3.019 20 30 EGEDLP CO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271907117 455799666 /nfs/dbraw/zinc/79/96/66/455799666.db2.gz WYAHMZKSDQDYTC-WOJBJXKFSA-N 2 2 327.472 3.070 20 30 EGEDLP CC(C)c1cccc(NC(=[NH2+])NCc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000303790804 456486013 /nfs/dbraw/zinc/48/60/13/456486013.db2.gz WWJBYVDGCVWZRS-UHFFFAOYSA-N 2 2 334.427 3.318 20 30 EGEDLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Br)CC1 ZINC000277399518 456811052 /nfs/dbraw/zinc/81/10/52/456811052.db2.gz ZJRGLZMVDHJZKM-OAHLLOKOSA-N 2 2 336.277 3.237 20 30 EGEDLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)CC1 ZINC000277399518 456811043 /nfs/dbraw/zinc/81/10/43/456811043.db2.gz ZJRGLZMVDHJZKM-OAHLLOKOSA-N 2 2 336.277 3.237 20 30 EGEDLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)Nc1nc2c(s1)CCCC2 ZINC000329825392 456946565 /nfs/dbraw/zinc/94/65/65/456946565.db2.gz IFTPUHWZKVXKAD-UHFFFAOYSA-N 2 2 345.472 3.213 20 30 EGEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000331184386 457143879 /nfs/dbraw/zinc/14/38/79/457143879.db2.gz NXQPEFZPLZVDKV-CVEARBPZSA-N 2 2 349.523 3.320 20 30 EGEDLP C[N@@H+](Cc1ccc(Br)cc1C#N)C[C@H]1CCC[NH+](C)C1 ZINC000347055513 457207068 /nfs/dbraw/zinc/20/70/68/457207068.db2.gz NCRJQNMSTPGXBX-ZDUSSCGKSA-N 2 2 336.277 3.094 20 30 EGEDLP C[N@H+](Cc1ccc(Br)cc1C#N)C[C@H]1CCC[NH+](C)C1 ZINC000347055513 457207069 /nfs/dbraw/zinc/20/70/69/457207069.db2.gz NCRJQNMSTPGXBX-ZDUSSCGKSA-N 2 2 336.277 3.094 20 30 EGEDLP C[NH+](Cc1ccc(Br)cc1C#N)C[C@H]1CCC[N@H+](C)C1 ZINC000347055513 457207070 /nfs/dbraw/zinc/20/70/70/457207070.db2.gz NCRJQNMSTPGXBX-ZDUSSCGKSA-N 2 2 336.277 3.094 20 30 EGEDLP C[NH+](Cc1ccc(Br)cc1C#N)C[C@H]1CCC[N@@H+](C)C1 ZINC000347055513 457207071 /nfs/dbraw/zinc/20/70/71/457207071.db2.gz NCRJQNMSTPGXBX-ZDUSSCGKSA-N 2 2 336.277 3.094 20 30 EGEDLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cccc(F)c3C#N)CC2)C[C@H](C)O1 ZINC000428240399 458104841 /nfs/dbraw/zinc/10/48/41/458104841.db2.gz IPLAYXPAEBNQLE-IYBDPMFKSA-N 2 2 345.462 3.019 20 30 EGEDLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cccc(F)c3C#N)CC2)C[C@H](C)O1 ZINC000428240399 458104845 /nfs/dbraw/zinc/10/48/45/458104845.db2.gz IPLAYXPAEBNQLE-IYBDPMFKSA-N 2 2 345.462 3.019 20 30 EGEDLP C=CCC1(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCCCC1 ZINC000448836153 458412664 /nfs/dbraw/zinc/41/26/64/458412664.db2.gz OTDFBTZRUCQAOX-UHFFFAOYSA-N 2 2 347.547 3.188 20 30 EGEDLP CC1(C#N)CCC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000449287501 458422722 /nfs/dbraw/zinc/42/27/22/458422722.db2.gz WWJKWPZMUJAPSB-KBWCOIMZSA-N 2 2 341.499 3.340 20 30 EGEDLP CC1(C#N)CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000449287501 458422725 /nfs/dbraw/zinc/42/27/25/458422725.db2.gz WWJKWPZMUJAPSB-KBWCOIMZSA-N 2 2 341.499 3.340 20 30 EGEDLP CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000373227943 458436843 /nfs/dbraw/zinc/43/68/43/458436843.db2.gz LALLGPVVNNMZGY-GOSISDBHSA-N 2 2 337.471 3.150 20 30 EGEDLP CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000373227943 458436846 /nfs/dbraw/zinc/43/68/46/458436846.db2.gz LALLGPVVNNMZGY-GOSISDBHSA-N 2 2 337.471 3.150 20 30 EGEDLP N#CCCC1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000518765344 458890998 /nfs/dbraw/zinc/89/09/98/458890998.db2.gz WNWTVQHOKVVRPF-NRFANRHFSA-N 2 2 341.499 3.293 20 30 EGEDLP N#CCCC1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000518765344 458891003 /nfs/dbraw/zinc/89/10/03/458891003.db2.gz WNWTVQHOKVVRPF-NRFANRHFSA-N 2 2 341.499 3.293 20 30 EGEDLP N#C[C@H]1CC[C@H]([NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000442777867 459034696 /nfs/dbraw/zinc/03/46/96/459034696.db2.gz AMYUGQBGEDSNNG-WMZOPIPTSA-N 2 2 346.906 3.134 20 30 EGEDLP CC(C)OC1CC([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593703229 459957929 /nfs/dbraw/zinc/95/79/29/459957929.db2.gz RBTLHEFNNOJSLN-UHFFFAOYSA-N 2 2 327.472 3.068 20 30 EGEDLP Cc1cccc(N2CC[NH+](CCC[NH2+]C[C@@H](C)CCC#N)CC2)c1 ZINC000602506675 459972759 /nfs/dbraw/zinc/97/27/59/459972759.db2.gz KPLGISUOPOZBQR-IBGZPJMESA-N 2 2 328.504 3.037 20 30 EGEDLP CC(C)Cc1ccc([C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)[NH+](C)C)cc1 ZINC000598728208 460008501 /nfs/dbraw/zinc/00/85/01/460008501.db2.gz PBBVQFPYNKWDCJ-WOJBJXKFSA-N 2 2 345.531 3.378 20 30 EGEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000593968355 460032248 /nfs/dbraw/zinc/03/22/48/460032248.db2.gz SAENWDJPUFTMPW-ZDUSSCGKSA-N 2 2 345.244 3.044 20 30 EGEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000593968355 460032253 /nfs/dbraw/zinc/03/22/53/460032253.db2.gz SAENWDJPUFTMPW-ZDUSSCGKSA-N 2 2 345.244 3.044 20 30 EGEDLP CO[C@H](C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CCCC1 ZINC000602703765 460074922 /nfs/dbraw/zinc/07/49/22/460074922.db2.gz DJHGXCFIIZVCMR-OAQYLSRUSA-N 2 2 341.499 3.317 20 30 EGEDLP Cc1ccc(C[N@H+]2CC[C@@H]([NH2+][C@@H](C)CC3(C#N)CCOCC3)C2)cc1 ZINC000602743963 460103195 /nfs/dbraw/zinc/10/31/95/460103195.db2.gz VHUGAGRCCQOBDK-AZUAARDMSA-N 2 2 341.499 3.258 20 30 EGEDLP Cc1ccc(C[N@@H+]2CC[C@@H]([NH2+][C@@H](C)CC3(C#N)CCOCC3)C2)cc1 ZINC000602743963 460103202 /nfs/dbraw/zinc/10/32/02/460103202.db2.gz VHUGAGRCCQOBDK-AZUAARDMSA-N 2 2 341.499 3.258 20 30 EGEDLP Cc1csc(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000611438143 460365694 /nfs/dbraw/zinc/36/56/94/460365694.db2.gz XHUNIIZMJOTFKL-UHFFFAOYSA-N 2 2 340.496 3.120 20 30 EGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3cnc(C4CC4)o3)CC2)c1 ZINC000600174666 460420089 /nfs/dbraw/zinc/42/00/89/460420089.db2.gz DUPPDFSTGWECIV-UHFFFAOYSA-N 2 2 336.439 3.178 20 30 EGEDLP C=CCOc1c(Cl)cc(C[N@H+](C)CCC[NH+](C)C)cc1OC ZINC000628277091 461069389 /nfs/dbraw/zinc/06/93/89/461069389.db2.gz BJYRVWMKBKRLGF-UHFFFAOYSA-N 2 2 326.868 3.297 20 30 EGEDLP C=CCOc1c(Cl)cc(C[N@@H+](C)CCC[NH+](C)C)cc1OC ZINC000628277091 461069392 /nfs/dbraw/zinc/06/93/92/461069392.db2.gz BJYRVWMKBKRLGF-UHFFFAOYSA-N 2 2 326.868 3.297 20 30 EGEDLP CCN(CCO)c1ccc(C=[NH+]Nc2cc[nH+]c3ccccc23)c(C)c1 ZINC000730146340 574925284 /nfs/dbraw/zinc/92/52/84/574925284.db2.gz RLPLQDGVGUJCTE-UHFFFAOYSA-N 2 2 348.450 3.230 20 30 EGEDLP C[NH+](C)[C@@H](CNC(=[NH2+])NCC1CCC1)c1cccc(C(F)(F)F)c1 ZINC000183891209 1295156894 /nfs/dbraw/zinc/15/68/94/1295156894.db2.gz DMVAATAHDHHQTA-HNNXBMFYSA-N 2 2 342.409 3.013 20 30 EGEDLP CCc1cccc(NC(=[NH2+])NC[C@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000303771957 1296850675 /nfs/dbraw/zinc/85/06/75/1296850675.db2.gz DCQAPHGEZLDHPK-GOSISDBHSA-N 2 2 328.435 3.418 20 30 EGEDLP CC(C)c1cccc(NC(=[NH2+])NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000303783056 1296854781 /nfs/dbraw/zinc/85/47/81/1296854781.db2.gz NVEADUUGPXWADE-HZPDHXFCSA-N 2 2 346.519 3.424 20 30 EGEDLP C[NH+](C)[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)c1cccc(F)c1 ZINC000303784690 1296854832 /nfs/dbraw/zinc/85/48/32/1296854832.db2.gz PPKZLPLEQZEZIR-IBGZPJMESA-N 2 2 340.446 3.344 20 30 EGEDLP C[C@H](CNC(=[NH2+])NC1CCCCCC1)[N@@H+]1CCc2sccc2C1 ZINC000305745374 1297041486 /nfs/dbraw/zinc/04/14/86/1297041486.db2.gz OAJBVLYZYJYCAQ-CQSZACIVSA-N 2 2 334.533 3.122 20 30 EGEDLP C[C@H](CNC(=[NH2+])NC1CCCCCC1)[N@H+]1CCc2sccc2C1 ZINC000305745374 1297041492 /nfs/dbraw/zinc/04/14/92/1297041492.db2.gz OAJBVLYZYJYCAQ-CQSZACIVSA-N 2 2 334.533 3.122 20 30 EGEDLP C[C@@H](Cc1cccnc1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000897969215 1310532832 /nfs/dbraw/zinc/53/28/32/1310532832.db2.gz GQRHXAWEZAJGTG-KRWDZBQOSA-N 2 2 334.467 3.138 20 30 EGEDLP CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)ccc1OC ZINC000817917038 1319460465 /nfs/dbraw/zinc/46/04/65/1319460465.db2.gz DKUCBAGDRHHCOZ-ZFWWWQNUSA-N 2 2 340.427 3.035 20 30 EGEDLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C#N)ccc2Br)C1 ZINC000921582093 1322358194 /nfs/dbraw/zinc/35/81/94/1322358194.db2.gz QCTFOGSFRACEIN-CQSZACIVSA-N 2 2 336.277 3.142 20 30 EGEDLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(C#N)ccc2Br)C1 ZINC000921582093 1322358202 /nfs/dbraw/zinc/35/82/02/1322358202.db2.gz QCTFOGSFRACEIN-CQSZACIVSA-N 2 2 336.277 3.142 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025238814 1324031777 /nfs/dbraw/zinc/03/17/77/1324031777.db2.gz WROFWXJTCMNRPS-RBUKOAKNSA-N 2 2 344.503 3.154 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025238814 1324031781 /nfs/dbraw/zinc/03/17/81/1324031781.db2.gz WROFWXJTCMNRPS-RBUKOAKNSA-N 2 2 344.503 3.154 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025238814 1324031789 /nfs/dbraw/zinc/03/17/89/1324031789.db2.gz WROFWXJTCMNRPS-RBUKOAKNSA-N 2 2 344.503 3.154 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025238814 1324031797 /nfs/dbraw/zinc/03/17/97/1324031797.db2.gz WROFWXJTCMNRPS-RBUKOAKNSA-N 2 2 344.503 3.154 20 30 EGEDLP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025289251 1324112144 /nfs/dbraw/zinc/11/21/44/1324112144.db2.gz PAGCHMZUSPKWPP-IAGOWNOFSA-N 2 2 344.503 3.109 20 30 EGEDLP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025289251 1324112146 /nfs/dbraw/zinc/11/21/46/1324112146.db2.gz PAGCHMZUSPKWPP-IAGOWNOFSA-N 2 2 344.503 3.109 20 30 EGEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3c(C)cc(C)[nH+]c3C)C[C@H]12 ZINC001026318733 1324722977 /nfs/dbraw/zinc/72/29/77/1324722977.db2.gz ZTAINBLXGUHJCT-IXDOHACOSA-N 2 2 347.890 3.200 20 30 EGEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3c(C)cc(C)[nH+]c3C)C[C@@H]12 ZINC001026318731 1324723036 /nfs/dbraw/zinc/72/30/36/1324723036.db2.gz ZTAINBLXGUHJCT-BRWVUGGUSA-N 2 2 347.890 3.200 20 30 EGEDLP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)c3c(C)cc(C)[nH+]c3C)CC[C@@H]2C1 ZINC000946688428 1332877593 /nfs/dbraw/zinc/87/75/93/1332877593.db2.gz RGUOFBIPVLGADA-KDURUIRLSA-N 2 2 341.499 3.367 20 30 EGEDLP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)c3c(C)cc(C)[nH+]c3C)CC[C@@H]2C1 ZINC000946688428 1332877596 /nfs/dbraw/zinc/87/75/96/1332877596.db2.gz RGUOFBIPVLGADA-KDURUIRLSA-N 2 2 341.499 3.367 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC000947450567 1333133470 /nfs/dbraw/zinc/13/34/70/1333133470.db2.gz WPGZQHLQHXVRFB-GDBMZVCRSA-N 2 2 326.444 3.112 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC000947450567 1333133473 /nfs/dbraw/zinc/13/34/73/1333133473.db2.gz WPGZQHLQHXVRFB-GDBMZVCRSA-N 2 2 326.444 3.112 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000948767262 1333669641 /nfs/dbraw/zinc/66/96/41/1333669641.db2.gz USRPUBQPSSBPBU-IRXDYDNUSA-N 2 2 344.503 3.109 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000948767262 1333669644 /nfs/dbraw/zinc/66/96/44/1333669644.db2.gz USRPUBQPSSBPBU-IRXDYDNUSA-N 2 2 344.503 3.109 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033874480 1342053881 /nfs/dbraw/zinc/05/38/81/1342053881.db2.gz ZLLADYJYFOKXNO-INIZCTEOSA-N 2 2 326.444 3.066 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033874480 1342053882 /nfs/dbraw/zinc/05/38/82/1342053882.db2.gz ZLLADYJYFOKXNO-INIZCTEOSA-N 2 2 326.444 3.066 20 30 EGEDLP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034537956 1342595025 /nfs/dbraw/zinc/59/50/25/1342595025.db2.gz PGBZZDUKEMTIIY-GOSISDBHSA-N 2 2 349.906 3.085 20 30 EGEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034537956 1342595026 /nfs/dbraw/zinc/59/50/26/1342595026.db2.gz PGBZZDUKEMTIIY-GOSISDBHSA-N 2 2 349.906 3.085 20 30 EGEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1CC ZINC001037885911 1344160721 /nfs/dbraw/zinc/16/07/21/1344160721.db2.gz VGVUCYFARIQSRC-HIFRSBDPSA-N 2 2 346.862 3.146 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001040422976 1345489309 /nfs/dbraw/zinc/48/93/09/1345489309.db2.gz BMIZORIHRXRHKC-QUCCMNQESA-N 2 2 344.503 3.115 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001040422976 1345489310 /nfs/dbraw/zinc/48/93/10/1345489310.db2.gz BMIZORIHRXRHKC-QUCCMNQESA-N 2 2 344.503 3.115 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001041406022 1345719420 /nfs/dbraw/zinc/71/94/20/1345719420.db2.gz HFWXXSTXSVYLGQ-FQEVSTJZSA-N 2 2 338.455 3.067 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001041406022 1345719423 /nfs/dbraw/zinc/71/94/23/1345719423.db2.gz HFWXXSTXSVYLGQ-FQEVSTJZSA-N 2 2 338.455 3.067 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053099385 1348931262 /nfs/dbraw/zinc/93/12/62/1348931262.db2.gz VXDZZWJNIPJRQA-MJGOQNOKSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053099385 1348931265 /nfs/dbraw/zinc/93/12/65/1348931265.db2.gz VXDZZWJNIPJRQA-MJGOQNOKSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053103756 1348938792 /nfs/dbraw/zinc/93/87/92/1348938792.db2.gz LLHQULWYVLIELT-MSOLQXFVSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053103756 1348938795 /nfs/dbraw/zinc/93/87/95/1348938795.db2.gz LLHQULWYVLIELT-MSOLQXFVSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC001184273167 1387421772 /nfs/dbraw/zinc/42/17/72/1387421772.db2.gz JELNRQNUCSHDFT-ZWKOTPCHSA-N 2 2 346.519 3.163 20 30 EGEDLP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001099117085 1363632970 /nfs/dbraw/zinc/63/29/70/1363632970.db2.gz ZKNFVTPVZKUSBR-QZTJIDSGSA-N 2 2 346.519 3.263 20 30 EGEDLP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001099117085 1363632971 /nfs/dbraw/zinc/63/29/71/1363632971.db2.gz ZKNFVTPVZKUSBR-QZTJIDSGSA-N 2 2 346.519 3.263 20 30 EGEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001110192823 1367558200 /nfs/dbraw/zinc/55/82/00/1367558200.db2.gz DGMNWHQISHTXLP-QYZOEREBSA-N 2 2 344.503 3.131 20 30 EGEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001110192823 1367558204 /nfs/dbraw/zinc/55/82/04/1367558204.db2.gz DGMNWHQISHTXLP-QYZOEREBSA-N 2 2 344.503 3.131 20 30 EGEDLP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192294049 1367741207 /nfs/dbraw/zinc/74/12/07/1367741207.db2.gz LEPLAUGKLKOQJI-IRXDYDNUSA-N 2 2 346.519 3.333 20 30 EGEDLP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192294049 1367741214 /nfs/dbraw/zinc/74/12/14/1367741214.db2.gz LEPLAUGKLKOQJI-IRXDYDNUSA-N 2 2 346.519 3.333 20 30 EGEDLP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001192778725 1367872767 /nfs/dbraw/zinc/87/27/67/1367872767.db2.gz PKMVWXDONSTXKT-AEFFLSMTSA-N 2 2 334.508 3.091 20 30 EGEDLP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001192778725 1367872769 /nfs/dbraw/zinc/87/27/69/1367872769.db2.gz PKMVWXDONSTXKT-AEFFLSMTSA-N 2 2 334.508 3.091 20 30 EGEDLP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001192778725 1367872772 /nfs/dbraw/zinc/87/27/72/1367872772.db2.gz PKMVWXDONSTXKT-AEFFLSMTSA-N 2 2 334.508 3.091 20 30 EGEDLP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001192778725 1367872775 /nfs/dbraw/zinc/87/27/75/1367872775.db2.gz PKMVWXDONSTXKT-AEFFLSMTSA-N 2 2 334.508 3.091 20 30 EGEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001110699488 1367937214 /nfs/dbraw/zinc/93/72/14/1367937214.db2.gz SGDWEHXGEAGLAN-AKHDSKFASA-N 2 2 344.503 3.158 20 30 EGEDLP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001110699488 1367937216 /nfs/dbraw/zinc/93/72/16/1367937216.db2.gz SGDWEHXGEAGLAN-AKHDSKFASA-N 2 2 344.503 3.158 20 30 EGEDLP CCCCCCC[N@@H+]1CCC[C@@]2(C1)COCC[NH+](CCOC)C2 ZINC001201762905 1369618717 /nfs/dbraw/zinc/61/87/17/1369618717.db2.gz ZAIGINURZGNZHT-IBGZPJMESA-N 2 2 326.525 3.018 20 30 EGEDLP CCCCCCC[N@H+]1CCC[C@@]2(C1)COCC[NH+](CCOC)C2 ZINC001201762905 1369618718 /nfs/dbraw/zinc/61/87/18/1369618718.db2.gz ZAIGINURZGNZHT-IBGZPJMESA-N 2 2 326.525 3.018 20 30 EGEDLP CCCCCCC[NH+]1CCC[C@@]2(C1)COCC[N@H+](CCOC)C2 ZINC001201762905 1369618719 /nfs/dbraw/zinc/61/87/19/1369618719.db2.gz ZAIGINURZGNZHT-IBGZPJMESA-N 2 2 326.525 3.018 20 30 EGEDLP CCCCCCC[NH+]1CCC[C@@]2(C1)COCC[N@@H+](CCOC)C2 ZINC001201762905 1369618724 /nfs/dbraw/zinc/61/87/24/1369618724.db2.gz ZAIGINURZGNZHT-IBGZPJMESA-N 2 2 326.525 3.018 20 30 EGEDLP C=CCC[NH2+]C1(CNC(=O)c2ccn3c(C)c[nH+]c3c2)CCCCC1 ZINC001115538748 1370535531 /nfs/dbraw/zinc/53/55/31/1370535531.db2.gz WLPTUCWEUOLPCZ-UHFFFAOYSA-N 2 2 340.471 3.241 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001206427556 1371051568 /nfs/dbraw/zinc/05/15/68/1371051568.db2.gz IXSXRDKWQPIJHA-DLBZAZTESA-N 2 2 332.492 3.017 20 30 EGEDLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccc(C#N)c(Br)c2)C1 ZINC001206572200 1371096216 /nfs/dbraw/zinc/09/62/16/1371096216.db2.gz CAFMEBJIMZEXEK-MRXNPFEDSA-N 2 2 336.277 3.272 20 30 EGEDLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(C#N)c(Br)c2)C1 ZINC001206572200 1371096217 /nfs/dbraw/zinc/09/62/17/1371096217.db2.gz CAFMEBJIMZEXEK-MRXNPFEDSA-N 2 2 336.277 3.272 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001121847908 1372101165 /nfs/dbraw/zinc/10/11/65/1372101165.db2.gz IBASLLNMPDMWNX-BEUJSRESSA-N 2 2 344.503 3.206 20 30 EGEDLP CCCCCCCC[C@H]([NH3+])C(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001122602281 1372282016 /nfs/dbraw/zinc/28/20/16/1372282016.db2.gz OPWNGCLAGAAAJK-KRWDZBQOSA-N 2 2 334.508 3.204 20 30 EGEDLP CC1(C)C[C@@H]([NH2+]CCNc2ncccc2C#N)C[N@@H+]1Cc1ccccc1 ZINC001326740290 1388295869 /nfs/dbraw/zinc/29/58/69/1388295869.db2.gz FFOAGWWFIWXESO-LJQANCHMSA-N 2 2 349.482 3.008 20 30 EGEDLP CC1(C)C[C@@H]([NH2+]CCNc2ncccc2C#N)C[N@H+]1Cc1ccccc1 ZINC001326740290 1388295874 /nfs/dbraw/zinc/29/58/74/1388295874.db2.gz FFOAGWWFIWXESO-LJQANCHMSA-N 2 2 349.482 3.008 20 30 EGEDLP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001227073449 1375385036 /nfs/dbraw/zinc/38/50/36/1375385036.db2.gz MFXPIYVPJPPEST-IAGOWNOFSA-N 2 2 326.444 3.160 20 30 EGEDLP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001132875181 1375616467 /nfs/dbraw/zinc/61/64/67/1375616467.db2.gz UNZINSDCDUDXRN-ZWKOTPCHSA-N 2 2 348.535 3.387 20 30 EGEDLP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001132875181 1375616470 /nfs/dbraw/zinc/61/64/70/1375616470.db2.gz UNZINSDCDUDXRN-ZWKOTPCHSA-N 2 2 348.535 3.387 20 30 EGEDLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccccc1C#Cc1ccccc1)C2 ZINC001231578845 1376268344 /nfs/dbraw/zinc/26/83/44/1376268344.db2.gz SYHFQPTTYPQBEJ-DHIUTWEWSA-N 2 2 330.475 3.470 20 30 EGEDLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1C#Cc1ccccc1)C2 ZINC001231578845 1376268355 /nfs/dbraw/zinc/26/83/55/1376268355.db2.gz SYHFQPTTYPQBEJ-DHIUTWEWSA-N 2 2 330.475 3.470 20 30 EGEDLP Cc1ccc[nH+]c1N1CCC[C@@]2(CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001280101428 1378328002 /nfs/dbraw/zinc/32/80/02/1378328002.db2.gz FXUPBJMYVWPXLL-NRFANRHFSA-N 2 2 349.482 3.093 20 30 EGEDLP Cc1ccc[nH+]c1N1CCC[C@@]2(CC[N@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001280101428 1378328009 /nfs/dbraw/zinc/32/80/09/1378328009.db2.gz FXUPBJMYVWPXLL-NRFANRHFSA-N 2 2 349.482 3.093 20 30 EGEDLP C=C(C)CC[N@H+]1CC=C(CCNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001160666301 1382165817 /nfs/dbraw/zinc/16/58/17/1382165817.db2.gz YKRVNLNCPNAWKH-UHFFFAOYSA-N 2 2 338.455 3.053 20 30 EGEDLP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001160666301 1382165820 /nfs/dbraw/zinc/16/58/20/1382165820.db2.gz YKRVNLNCPNAWKH-UHFFFAOYSA-N 2 2 338.455 3.053 20 30 EGEDLP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001161993448 1382592025 /nfs/dbraw/zinc/59/20/25/1382592025.db2.gz AYLVIGCBVQZPNS-SFHVURJKSA-N 2 2 344.503 3.156 20 30 EGEDLP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001161993448 1382592028 /nfs/dbraw/zinc/59/20/28/1382592028.db2.gz AYLVIGCBVQZPNS-SFHVURJKSA-N 2 2 344.503 3.156 20 30 EGEDLP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001172297133 1384762909 /nfs/dbraw/zinc/76/29/09/1384762909.db2.gz BFGHRDUHEXTIOU-QGZVFWFLSA-N 2 2 349.478 3.449 20 30 EGEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001175704268 1385378686 /nfs/dbraw/zinc/37/86/86/1385378686.db2.gz UMMRHSMXXVVOAM-KRWDZBQOSA-N 2 2 342.487 3.026 20 30 EGEDLP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001177413185 1385947857 /nfs/dbraw/zinc/94/78/57/1385947857.db2.gz OGWATNCGSOZVBW-QGZVFWFLSA-N 2 2 344.503 3.014 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178864588 1386332578 /nfs/dbraw/zinc/33/25/78/1386332578.db2.gz KJBUVJDUPZAXJK-MSOLQXFVSA-N 2 2 346.519 3.066 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001178873361 1386335658 /nfs/dbraw/zinc/33/56/58/1386335658.db2.gz XUANGSQIBLROGG-ZWKOTPCHSA-N 2 2 346.519 3.066 20 30 EGEDLP C=CCOCC[NH2+]CCCCCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001179085334 1386396028 /nfs/dbraw/zinc/39/60/28/1386396028.db2.gz ZBXPXRWZMIAQGM-UHFFFAOYSA-N 2 2 347.503 3.089 20 30 EGEDLP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001481333837 1393165791 /nfs/dbraw/zinc/16/57/91/1393165791.db2.gz GWQPDWBUZHVGFV-CYBMUJFWSA-N 2 2 346.862 3.146 20 30 EGEDLP C=CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001752142202 1440144822 /nfs/dbraw/zinc/14/48/22/1440144822.db2.gz HGZUHMBKZOJRQY-KBXCAEBGSA-N 2 2 326.444 3.112 20 30 EGEDLP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001752640940 1440197657 /nfs/dbraw/zinc/19/76/57/1440197657.db2.gz BXBOBHTZMCHRIU-WKILWMFISA-N 2 2 326.444 3.160 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753102524 1440304846 /nfs/dbraw/zinc/30/48/46/1440304846.db2.gz APDASCVQDQFKDM-GDBMZVCRSA-N 2 2 326.444 3.112 20 30 EGEDLP C=CCC[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753102524 1440304847 /nfs/dbraw/zinc/30/48/47/1440304847.db2.gz APDASCVQDQFKDM-GDBMZVCRSA-N 2 2 326.444 3.112 20 30 EGEDLP C=CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001754833705 1440696346 /nfs/dbraw/zinc/69/63/46/1440696346.db2.gz JWXHXNZRCCLXFG-WKILWMFISA-N 2 2 340.471 3.265 20 30 EGEDLP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc(C#N)c1 ZINC000191831394 533436625 /nfs/dbraw/zinc/43/66/25/533436625.db2.gz CNBWTRPQTZUAQT-GCJKJVERSA-N 2 2 349.478 3.500 20 30 EGEDLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc(C#N)c1 ZINC000191831394 533436630 /nfs/dbraw/zinc/43/66/30/533436630.db2.gz CNBWTRPQTZUAQT-GCJKJVERSA-N 2 2 349.478 3.500 20 30 EGEDLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360658447 286809801 /nfs/dbraw/zinc/80/98/01/286809801.db2.gz SRNBCMLZBXJXMI-JXFKEZNVSA-N 2 2 327.472 3.026 20 30 EGEDLP C[C@H](C[C@H]1CCCO1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344111159 164105517 /nfs/dbraw/zinc/10/55/17/164105517.db2.gz UQOXAGDEOWNLAS-OXQOHEQNSA-N 2 2 327.472 3.070 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3COCc4ccccc43)CC2)cc1 ZINC000417367623 270048086 /nfs/dbraw/zinc/04/80/86/270048086.db2.gz PXYKXLYXWMWPLV-JOCHJYFZSA-N 2 2 347.462 3.384 20 30 EGEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000580147154 325208310 /nfs/dbraw/zinc/20/83/10/325208310.db2.gz VSLGXYHUVFEOJG-UTKZUKDTSA-N 2 2 334.467 3.438 20 30 EGEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)cn2)CC[N@H+]1Cc1ccccc1 ZINC000580147154 325208311 /nfs/dbraw/zinc/20/83/11/325208311.db2.gz VSLGXYHUVFEOJG-UTKZUKDTSA-N 2 2 334.467 3.438 20 30 EGEDLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)cn2)CC[NH+]1Cc1ccccc1 ZINC000580147154 325208314 /nfs/dbraw/zinc/20/83/14/325208314.db2.gz VSLGXYHUVFEOJG-UTKZUKDTSA-N 2 2 334.467 3.438 20 30 EGEDLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cn2)CC[NH+]1Cc1ccccc1 ZINC000580147154 325208318 /nfs/dbraw/zinc/20/83/18/325208318.db2.gz VSLGXYHUVFEOJG-UTKZUKDTSA-N 2 2 334.467 3.438 20 30 EGEDLP C=CCNC(=[NH2+])NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000072271130 454279974 /nfs/dbraw/zinc/27/99/74/454279974.db2.gz KLBLURXUMPKEIM-UHFFFAOYSA-N 2 2 345.450 3.189 20 30 EGEDLP CC(C)[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000271818885 455773567 /nfs/dbraw/zinc/77/35/67/455773567.db2.gz BYDYWGMHWMGHBN-LEWJYISDSA-N 2 2 341.499 3.316 20 30 EGEDLP CC(C)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccn1 ZINC000294885954 455831387 /nfs/dbraw/zinc/83/13/87/455831387.db2.gz VYYTUMBVUPSEBJ-UHFFFAOYSA-N 2 2 348.494 3.485 20 30 EGEDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000290450404 456331681 /nfs/dbraw/zinc/33/16/81/456331681.db2.gz MIMVNPFBWCTTKE-UHFFFAOYSA-N 2 2 348.454 3.182 20 30 EGEDLP COc1cc(C[NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)ccc1C#N ZINC000353194356 456551062 /nfs/dbraw/zinc/55/10/62/456551062.db2.gz TVUHDSAVBPIKRV-OXQOHEQNSA-N 2 2 335.451 3.492 20 30 EGEDLP COc1cc(C[NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)ccc1C#N ZINC000353194356 456551066 /nfs/dbraw/zinc/55/10/66/456551066.db2.gz TVUHDSAVBPIKRV-OXQOHEQNSA-N 2 2 335.451 3.492 20 30 EGEDLP C[NH+](C)[C@@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000277021696 456656308 /nfs/dbraw/zinc/65/63/08/456656308.db2.gz ANIDKLNYPQNGKR-MRXNPFEDSA-N 2 2 340.389 3.353 20 30 EGEDLP C[NH+](C)[C@@H]1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000277021696 456656314 /nfs/dbraw/zinc/65/63/14/456656314.db2.gz ANIDKLNYPQNGKR-MRXNPFEDSA-N 2 2 340.389 3.353 20 30 EGEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CCCSCC#N ZINC000339660650 457198329 /nfs/dbraw/zinc/19/83/29/457198329.db2.gz IRGYWQZASCIQST-INIZCTEOSA-N 2 2 328.485 3.456 20 30 EGEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CCCSCC#N ZINC000339660650 457198334 /nfs/dbraw/zinc/19/83/34/457198334.db2.gz IRGYWQZASCIQST-INIZCTEOSA-N 2 2 328.485 3.456 20 30 EGEDLP N#CCCCOc1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000363086352 457218513 /nfs/dbraw/zinc/21/85/13/457218513.db2.gz UYVRQDHPGZYRIP-UHFFFAOYSA-N 2 2 347.422 3.240 20 30 EGEDLP CC[N@@H+]1CCC[C@H](C[NH+](C)CCC(C)(C)C#N)[C@H]1c1cnn(C)c1 ZINC000347163584 457265497 /nfs/dbraw/zinc/26/54/97/457265497.db2.gz JJXGLXJREVQZDB-AEFFLSMTSA-N 2 2 331.508 3.065 20 30 EGEDLP CC[N@H+]1CCC[C@H](C[NH+](C)CCC(C)(C)C#N)[C@H]1c1cnn(C)c1 ZINC000347163584 457265504 /nfs/dbraw/zinc/26/55/04/457265504.db2.gz JJXGLXJREVQZDB-AEFFLSMTSA-N 2 2 331.508 3.065 20 30 EGEDLP CC[NH+]1CCC[C@H](C[N@H+](C)CCC(C)(C)C#N)[C@H]1c1cnn(C)c1 ZINC000347163584 457265511 /nfs/dbraw/zinc/26/55/11/457265511.db2.gz JJXGLXJREVQZDB-AEFFLSMTSA-N 2 2 331.508 3.065 20 30 EGEDLP CC[NH+]1CCC[C@H](C[N@@H+](C)CCC(C)(C)C#N)[C@H]1c1cnn(C)c1 ZINC000347163584 457265519 /nfs/dbraw/zinc/26/55/19/457265519.db2.gz JJXGLXJREVQZDB-AEFFLSMTSA-N 2 2 331.508 3.065 20 30 EGEDLP COc1cc(C[NH2+][C@@]2(C)CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000406003858 457554856 /nfs/dbraw/zinc/55/48/56/457554856.db2.gz OPBPABYRFIUHBM-NRFANRHFSA-N 2 2 335.451 3.321 20 30 EGEDLP COc1cc(C[NH2+][C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000406003858 457554866 /nfs/dbraw/zinc/55/48/66/457554866.db2.gz OPBPABYRFIUHBM-NRFANRHFSA-N 2 2 335.451 3.321 20 30 EGEDLP N#Cc1ccc(OCC[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000361063637 457558736 /nfs/dbraw/zinc/55/87/36/457558736.db2.gz TYUITWASXGELIT-UHFFFAOYSA-N 2 2 338.455 3.326 20 30 EGEDLP CC(C)(C)C[N@H+](CCC#N)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420918348 458404912 /nfs/dbraw/zinc/40/49/12/458404912.db2.gz VPRRRIQLWDWENJ-UHFFFAOYSA-N 2 2 329.488 3.281 20 30 EGEDLP CC(C)(C)C[N@@H+](CCC#N)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420918348 458404916 /nfs/dbraw/zinc/40/49/16/458404916.db2.gz VPRRRIQLWDWENJ-UHFFFAOYSA-N 2 2 329.488 3.281 20 30 EGEDLP C[C@H]([NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000423562980 458458661 /nfs/dbraw/zinc/45/86/61/458458661.db2.gz KKMAZDORZVIKCP-SFHVURJKSA-N 3 2 348.494 3.202 20 30 EGEDLP CC1(C)C[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000453436783 458528797 /nfs/dbraw/zinc/52/87/97/458528797.db2.gz UYOSDRSRCTVHSC-IBGZPJMESA-N 2 2 341.499 3.317 20 30 EGEDLP N#Cc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)nc1 ZINC000567484359 459114785 /nfs/dbraw/zinc/11/47/85/459114785.db2.gz LSSMUKGPFIDLJP-OAQYLSRUSA-N 2 2 332.451 3.051 20 30 EGEDLP N#Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)nc1 ZINC000567484359 459114788 /nfs/dbraw/zinc/11/47/88/459114788.db2.gz LSSMUKGPFIDLJP-OAQYLSRUSA-N 2 2 332.451 3.051 20 30 EGEDLP N#Cc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)nc1 ZINC000567484359 459114793 /nfs/dbraw/zinc/11/47/93/459114793.db2.gz LSSMUKGPFIDLJP-OAQYLSRUSA-N 2 2 332.451 3.051 20 30 EGEDLP N#Cc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)nc1 ZINC000567484359 459114798 /nfs/dbraw/zinc/11/47/98/459114798.db2.gz LSSMUKGPFIDLJP-OAQYLSRUSA-N 2 2 332.451 3.051 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C(=O)OC)ccc2Cl)CC1 ZINC000482256244 459299649 /nfs/dbraw/zinc/29/96/49/459299649.db2.gz MAZNCHCOGKFNKQ-UHFFFAOYSA-N 2 2 336.863 3.257 20 30 EGEDLP CCC1(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CCOCC1 ZINC000593693012 459954411 /nfs/dbraw/zinc/95/44/11/459954411.db2.gz LUDNFARXOZXGRJ-UHFFFAOYSA-N 2 2 341.499 3.319 20 30 EGEDLP N#Cc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000602484702 459960818 /nfs/dbraw/zinc/96/08/18/459960818.db2.gz LYEJRZZBYZDHFV-KNQAVFIVSA-N 2 2 346.478 3.440 20 30 EGEDLP N#Cc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000602484702 459960827 /nfs/dbraw/zinc/96/08/27/459960827.db2.gz LYEJRZZBYZDHFV-KNQAVFIVSA-N 2 2 346.478 3.440 20 30 EGEDLP N#Cc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000602484702 459960832 /nfs/dbraw/zinc/96/08/32/459960832.db2.gz LYEJRZZBYZDHFV-KNQAVFIVSA-N 2 2 346.478 3.440 20 30 EGEDLP N#Cc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000602484702 459960837 /nfs/dbraw/zinc/96/08/37/459960837.db2.gz LYEJRZZBYZDHFV-KNQAVFIVSA-N 2 2 346.478 3.440 20 30 EGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)c1cncs1 ZINC000593719336 459962073 /nfs/dbraw/zinc/96/20/73/459962073.db2.gz CANNGRCEAJSGEG-AWEZNQCLSA-N 2 2 326.469 3.330 20 30 EGEDLP COCC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593725032 459965241 /nfs/dbraw/zinc/96/52/41/459965241.db2.gz HWERGZDUVMOLCW-TZIWHRDSSA-N 2 2 341.499 3.317 20 30 EGEDLP CC1CC[NH+]([C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)c2cccs2)CC1 ZINC000598705111 460001420 /nfs/dbraw/zinc/00/14/20/460001420.db2.gz YUHOBYTXYZAUKG-SJORKVTESA-N 2 2 349.544 3.411 20 30 EGEDLP C[C@@H](CCC#N)C[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000618888002 460208816 /nfs/dbraw/zinc/20/88/16/460208816.db2.gz LPWLXMBNGDBCAH-ROUUACIJSA-N 2 2 329.488 3.416 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H](c2ccc(OC)cc2)c2ccccn2)CC1 ZINC000652151139 462452498 /nfs/dbraw/zinc/45/24/98/462452498.db2.gz KEZNYEWIZUTGOI-NRFANRHFSA-N 2 2 337.467 3.420 20 30 EGEDLP C#CC[NH+]1CCC[C@H]1C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000730098061 574919715 /nfs/dbraw/zinc/91/97/15/574919715.db2.gz SXPTVXJKAJNFHU-XLIONFOSSA-N 2 2 339.483 3.097 20 30 EGEDLP C#CC[NH+]1CCC[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000730098061 574919716 /nfs/dbraw/zinc/91/97/16/574919716.db2.gz SXPTVXJKAJNFHU-XLIONFOSSA-N 2 2 339.483 3.097 20 30 EGEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000730098061 574919718 /nfs/dbraw/zinc/91/97/18/574919718.db2.gz SXPTVXJKAJNFHU-XLIONFOSSA-N 2 2 339.483 3.097 20 30 EGEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000730098061 574919720 /nfs/dbraw/zinc/91/97/20/574919720.db2.gz SXPTVXJKAJNFHU-XLIONFOSSA-N 2 2 339.483 3.097 20 30 EGEDLP CC[NH+](CC)[C@@H](CNC(NCc1ccco1)=[NH+]C)c1ccsc1 ZINC000103337870 1293003014 /nfs/dbraw/zinc/00/30/14/1293003014.db2.gz NZJUNHWAJVRXET-INIZCTEOSA-N 2 2 334.489 3.089 20 30 EGEDLP CC[C@@H](C)NC(=[NH2+])NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000183887249 1295155767 /nfs/dbraw/zinc/15/57/67/1295155767.db2.gz RZNCDMKAOLHLSY-RISCZKNCSA-N 2 2 330.398 3.011 20 30 EGEDLP Cc1cc(C)cc(NC(=[NH2+])NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000303780438 1296851381 /nfs/dbraw/zinc/85/13/81/1296851381.db2.gz LIZZWTLPBIZMMG-UHFFFAOYSA-N 2 2 344.503 3.065 20 30 EGEDLP CCc1cccc(NC(=[NH2+])NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000303901706 1296875495 /nfs/dbraw/zinc/87/54/95/1296875495.db2.gz SVLOVLRDJFWIPM-GOSISDBHSA-N 2 2 328.435 3.418 20 30 EGEDLP Cc1ccc(O)c(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000858239087 1328719268 /nfs/dbraw/zinc/71/92/68/1328719268.db2.gz IHVLNVNAWQUMHC-UHFFFAOYSA-N 2 2 335.451 3.327 20 30 EGEDLP C#CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000817276292 1319311251 /nfs/dbraw/zinc/31/12/51/1319311251.db2.gz XODOEBPQRTVFIP-QFIPXVFZSA-N 2 2 334.463 3.373 20 30 EGEDLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(C#N)ccc2Br)C1 ZINC000921625736 1322365932 /nfs/dbraw/zinc/36/59/32/1322365932.db2.gz ZRYNPMFXIJSYIA-AWEZNQCLSA-N 2 2 336.277 3.142 20 30 EGEDLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(C#N)ccc2Br)C1 ZINC000921625736 1322365936 /nfs/dbraw/zinc/36/59/36/1322365936.db2.gz ZRYNPMFXIJSYIA-AWEZNQCLSA-N 2 2 336.277 3.142 20 30 EGEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000947572861 1333177401 /nfs/dbraw/zinc/17/74/01/1333177401.db2.gz VAQMIFKRKPJHKY-FUHWJXTLSA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000947572861 1333177402 /nfs/dbraw/zinc/17/74/02/1333177402.db2.gz VAQMIFKRKPJHKY-FUHWJXTLSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)c3c(C)cc(C)[nH+]c3C)CC2)C1 ZINC001039147478 1344829741 /nfs/dbraw/zinc/82/97/41/1344829741.db2.gz WKXRGYCCACSKCB-LJQANCHMSA-N 2 2 341.499 3.367 20 30 EGEDLP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)c3c(C)cc(C)[nH+]c3C)CC2)C1 ZINC001039147478 1344829744 /nfs/dbraw/zinc/82/97/44/1344829744.db2.gz WKXRGYCCACSKCB-LJQANCHMSA-N 2 2 341.499 3.367 20 30 EGEDLP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001040264312 1345402382 /nfs/dbraw/zinc/40/23/82/1345402382.db2.gz NOVAZMGFFHTUKU-HXUWFJFHSA-N 2 2 338.455 3.067 20 30 EGEDLP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001040264312 1345402383 /nfs/dbraw/zinc/40/23/83/1345402383.db2.gz NOVAZMGFFHTUKU-HXUWFJFHSA-N 2 2 338.455 3.067 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001045944698 1346780897 /nfs/dbraw/zinc/78/08/97/1346780897.db2.gz ODIBNRQXMCGAKX-FQEVSTJZSA-N 2 2 344.503 3.013 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001045944698 1346780900 /nfs/dbraw/zinc/78/09/00/1346780900.db2.gz ODIBNRQXMCGAKX-FQEVSTJZSA-N 2 2 344.503 3.013 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001045944698 1346780901 /nfs/dbraw/zinc/78/09/01/1346780901.db2.gz ODIBNRQXMCGAKX-FQEVSTJZSA-N 2 2 344.503 3.013 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001045944698 1346780903 /nfs/dbraw/zinc/78/09/03/1346780903.db2.gz ODIBNRQXMCGAKX-FQEVSTJZSA-N 2 2 344.503 3.013 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053103758 1348938617 /nfs/dbraw/zinc/93/86/17/1348938617.db2.gz LLHQULWYVLIELT-ROUUACIJSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053103758 1348938618 /nfs/dbraw/zinc/93/86/18/1348938618.db2.gz LLHQULWYVLIELT-ROUUACIJSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001099111189 1363629654 /nfs/dbraw/zinc/62/96/54/1363629654.db2.gz UPUODTIQJVUIER-BRWVUGGUSA-N 2 2 344.503 3.086 20 30 EGEDLP C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001099111189 1363629656 /nfs/dbraw/zinc/62/96/56/1363629656.db2.gz UPUODTIQJVUIER-BRWVUGGUSA-N 2 2 344.503 3.086 20 30 EGEDLP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001099111189 1363629668 /nfs/dbraw/zinc/62/96/68/1363629668.db2.gz UPUODTIQJVUIER-BRWVUGGUSA-N 2 2 344.503 3.086 20 30 EGEDLP C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001099111189 1363629675 /nfs/dbraw/zinc/62/96/75/1363629675.db2.gz UPUODTIQJVUIER-BRWVUGGUSA-N 2 2 344.503 3.086 20 30 EGEDLP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001193468843 1368038739 /nfs/dbraw/zinc/03/87/39/1368038739.db2.gz IXJAGUUIWVZHJM-MRXNPFEDSA-N 2 2 334.508 3.190 20 30 EGEDLP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001193468843 1368038743 /nfs/dbraw/zinc/03/87/43/1368038743.db2.gz IXJAGUUIWVZHJM-MRXNPFEDSA-N 2 2 334.508 3.190 20 30 EGEDLP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001197125929 1368750238 /nfs/dbraw/zinc/75/02/38/1368750238.db2.gz QKNBFCHCBVQMEC-KRWDZBQOSA-N 2 2 344.503 3.110 20 30 EGEDLP C=CCCCCC[N@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001197125929 1368750242 /nfs/dbraw/zinc/75/02/42/1368750242.db2.gz QKNBFCHCBVQMEC-KRWDZBQOSA-N 2 2 344.503 3.110 20 30 EGEDLP CCCCCCC[NH2+]C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001202699224 1369855888 /nfs/dbraw/zinc/85/58/88/1369855888.db2.gz IMJUSQVXZOPDGM-QGZVFWFLSA-N 2 2 334.508 3.385 20 30 EGEDLP C=CCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C12CCC2 ZINC001202854338 1369908927 /nfs/dbraw/zinc/90/89/27/1369908927.db2.gz BBZDRXYDFWVNNA-IAGOWNOFSA-N 2 2 344.503 3.106 20 30 EGEDLP CCCCCCC[NH2+]C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001202862843 1369910871 /nfs/dbraw/zinc/91/08/71/1369910871.db2.gz HEQYLHANBGXMEU-MRXNPFEDSA-N 2 2 334.508 3.139 20 30 EGEDLP CCCCCCC[NH2+]C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001202862843 1369910877 /nfs/dbraw/zinc/91/08/77/1369910877.db2.gz HEQYLHANBGXMEU-MRXNPFEDSA-N 2 2 334.508 3.139 20 30 EGEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(SC)cc2)CC1 ZINC001204146397 1370390000 /nfs/dbraw/zinc/39/00/00/1370390000.db2.gz NTTRXHUAWINBCV-UHFFFAOYSA-N 2 2 345.556 3.200 20 30 EGEDLP C=CCCCCC[NH2+]C1(CNC(=O)CCc2c[nH]c[nH+]2)CCCCC1 ZINC001115566884 1370567132 /nfs/dbraw/zinc/56/71/32/1370567132.db2.gz CXVCICMEHLDAFP-UHFFFAOYSA-N 2 2 346.519 3.497 20 30 EGEDLP C=CCCCCC[NH2+]C1(CNC(=O)CCc2c[nH+]c[nH]2)CCCCC1 ZINC001115566884 1370567134 /nfs/dbraw/zinc/56/71/34/1370567134.db2.gz CXVCICMEHLDAFP-UHFFFAOYSA-N 2 2 346.519 3.497 20 30 EGEDLP C=CCCCCC[C@H]([NH3+])C(=O)Nc1ccnc(-c2cc(N)cc[nH+]2)c1 ZINC001218612302 1373636543 /nfs/dbraw/zinc/63/65/43/1373636543.db2.gz QWYOBBSAWGYGEY-INIZCTEOSA-N 2 2 339.443 3.128 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@H](NC(=O)CCc2[nH+]ccn2C)CC[C@H]1C ZINC001132196230 1375202333 /nfs/dbraw/zinc/20/23/33/1375202333.db2.gz ZYNHDBXZFYXCTJ-QZTJIDSGSA-N 2 2 348.535 3.292 20 30 EGEDLP CCCCCCC[N@H+]1C[C@H](NC(=O)CCc2[nH+]ccn2C)CC[C@H]1C ZINC001132196230 1375202336 /nfs/dbraw/zinc/20/23/36/1375202336.db2.gz ZYNHDBXZFYXCTJ-QZTJIDSGSA-N 2 2 348.535 3.292 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001234313205 1376803715 /nfs/dbraw/zinc/80/37/15/1376803715.db2.gz BMOVTMGCZLYKBE-CRAIPNDOSA-N 2 2 340.471 3.144 20 30 EGEDLP C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001234313205 1376803724 /nfs/dbraw/zinc/80/37/24/1376803724.db2.gz BMOVTMGCZLYKBE-CRAIPNDOSA-N 2 2 340.471 3.144 20 30 EGEDLP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135096893 1376894084 /nfs/dbraw/zinc/89/40/84/1376894084.db2.gz CSCSRJCAPSBVQN-HUUCEWRRSA-N 2 2 346.862 3.111 20 30 EGEDLP Cc1cc(N2CC[NH+](Cc3ccnc(C#N)c3)CC2)c2ccccc2[nH+]1 ZINC001237459274 1376980201 /nfs/dbraw/zinc/98/02/01/1376980201.db2.gz MFJHIGBKGMWTGP-UHFFFAOYSA-N 2 2 343.434 3.132 20 30 EGEDLP N#Cc1ccc(Oc2ccc(C[N@H+]3CCc4[nH+]ccn4CC3)cn2)cc1 ZINC001139427836 1377883269 /nfs/dbraw/zinc/88/32/69/1377883269.db2.gz TZJCDFUYWDTJPY-UHFFFAOYSA-N 2 2 345.406 3.000 20 30 EGEDLP N#Cc1ccc(Oc2ccc(C[N@@H+]3CCc4[nH+]ccn4CC3)cn2)cc1 ZINC001139427836 1377883273 /nfs/dbraw/zinc/88/32/73/1377883273.db2.gz TZJCDFUYWDTJPY-UHFFFAOYSA-N 2 2 345.406 3.000 20 30 EGEDLP Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001279696684 1378318060 /nfs/dbraw/zinc/31/80/60/1378318060.db2.gz DZXSQHAHHVQHAH-OAQYLSRUSA-N 2 2 349.482 3.078 20 30 EGEDLP Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001279696684 1378318063 /nfs/dbraw/zinc/31/80/63/1378318063.db2.gz DZXSQHAHHVQHAH-OAQYLSRUSA-N 2 2 349.482 3.078 20 30 EGEDLP Cc1cc(C#N)ccc1C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001279696684 1378318066 /nfs/dbraw/zinc/31/80/66/1378318066.db2.gz DZXSQHAHHVQHAH-OAQYLSRUSA-N 2 2 349.482 3.078 20 30 EGEDLP Cc1cc(C#N)ccc1C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001279696684 1378318068 /nfs/dbraw/zinc/31/80/68/1378318068.db2.gz DZXSQHAHHVQHAH-OAQYLSRUSA-N 2 2 349.482 3.078 20 30 EGEDLP C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001154004952 1380175421 /nfs/dbraw/zinc/17/54/21/1380175421.db2.gz QRHINFNZJAPWEW-QGZVFWFLSA-N 2 2 347.503 3.206 20 30 EGEDLP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001154004952 1380175427 /nfs/dbraw/zinc/17/54/27/1380175427.db2.gz QRHINFNZJAPWEW-QGZVFWFLSA-N 2 2 347.503 3.206 20 30 EGEDLP C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001154092412 1380204776 /nfs/dbraw/zinc/20/47/76/1380204776.db2.gz HOLUJBYHBRABAE-MSOLQXFVSA-N 2 2 346.519 3.019 20 30 EGEDLP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001154092412 1380204780 /nfs/dbraw/zinc/20/47/80/1380204780.db2.gz HOLUJBYHBRABAE-MSOLQXFVSA-N 2 2 346.519 3.019 20 30 EGEDLP CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001154092852 1380205386 /nfs/dbraw/zinc/20/53/86/1380205386.db2.gz OJBRKEXSFLTXAR-MSOLQXFVSA-N 2 2 348.535 3.243 20 30 EGEDLP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001154092852 1380205392 /nfs/dbraw/zinc/20/53/92/1380205392.db2.gz OJBRKEXSFLTXAR-MSOLQXFVSA-N 2 2 348.535 3.243 20 30 EGEDLP N#Cc1c(Cl)c2ccccc2nc1-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155064386 1380401704 /nfs/dbraw/zinc/40/17/04/1380401704.db2.gz PXABKZALEDITQH-UHFFFAOYSA-N 2 2 337.814 3.413 20 30 EGEDLP CCCCCCC[N@H+]1CC=C(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001160331268 1382074864 /nfs/dbraw/zinc/07/48/64/1382074864.db2.gz XMPFNUJNTAQKPV-UHFFFAOYSA-N 2 2 346.519 3.451 20 30 EGEDLP CCCCCCC[N@@H+]1CC=C(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001160331268 1382074872 /nfs/dbraw/zinc/07/48/72/1382074872.db2.gz XMPFNUJNTAQKPV-UHFFFAOYSA-N 2 2 346.519 3.451 20 30 EGEDLP CCCCCCC[N@H+]1CC=C(CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001160331268 1382074877 /nfs/dbraw/zinc/07/48/77/1382074877.db2.gz XMPFNUJNTAQKPV-UHFFFAOYSA-N 2 2 346.519 3.451 20 30 EGEDLP CCCCCCC[N@@H+]1CC=C(CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001160331268 1382074880 /nfs/dbraw/zinc/07/48/80/1382074880.db2.gz XMPFNUJNTAQKPV-UHFFFAOYSA-N 2 2 346.519 3.451 20 30 EGEDLP C=CCCCCC[N@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001160822117 1382209604 /nfs/dbraw/zinc/20/96/04/1382209604.db2.gz UIOYLPVNMJAUOF-UHFFFAOYSA-N 2 2 344.503 3.158 20 30 EGEDLP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001160822117 1382209608 /nfs/dbraw/zinc/20/96/08/1382209608.db2.gz UIOYLPVNMJAUOF-UHFFFAOYSA-N 2 2 344.503 3.158 20 30 EGEDLP N#Cc1c[nH]c2cc[nH+]c(N(Cc3ccncc3)[C@H]3CC[C@H]([NH3+])CC3)c12 ZINC001162197938 1382654694 /nfs/dbraw/zinc/65/46/94/1382654694.db2.gz XMCOGUZMACEVQZ-QAQDUYKDSA-N 2 2 346.438 3.106 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001165756464 1383340345 /nfs/dbraw/zinc/34/03/45/1383340345.db2.gz JRHRPCCUQSVBJK-HNNXBMFYSA-N 2 2 340.471 3.407 20 30 EGEDLP CC(C)(Nc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1)c1ccc(C#N)cc1 ZINC001165760084 1383340929 /nfs/dbraw/zinc/34/09/29/1383340929.db2.gz KJFUVJHWCNRIRY-LJQANCHMSA-N 2 2 334.467 3.438 20 30 EGEDLP CC(C)(Nc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1)c1ccc(C#N)cc1 ZINC001165760084 1383340932 /nfs/dbraw/zinc/34/09/32/1383340932.db2.gz KJFUVJHWCNRIRY-LJQANCHMSA-N 2 2 334.467 3.438 20 30 EGEDLP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001170784459 1384384800 /nfs/dbraw/zinc/38/48/00/1384384800.db2.gz JNGVDNHKGDPBIH-AWEZNQCLSA-N 2 2 348.878 3.273 20 30 EGEDLP C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001172298715 1384762925 /nfs/dbraw/zinc/76/29/25/1384762925.db2.gz CWCWOKMJNSLXGX-QGZVFWFLSA-N 2 2 334.467 3.390 20 30 EGEDLP CO[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001172915563 1384877576 /nfs/dbraw/zinc/87/75/76/1384877576.db2.gz DSGDMTRJORIMDD-VQTJNVASSA-N 2 2 327.472 3.070 20 30 EGEDLP CO[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173331718 1384960134 /nfs/dbraw/zinc/96/01/34/1384960134.db2.gz FSDJIJAVHMDDGA-HXJFWZBSSA-N 2 2 341.499 3.338 20 30 EGEDLP CO[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173331718 1384960136 /nfs/dbraw/zinc/96/01/36/1384960136.db2.gz FSDJIJAVHMDDGA-HXJFWZBSSA-N 2 2 341.499 3.338 20 30 EGEDLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C1CCC(C)(C#N)CC1)C2 ZINC001173594864 1384983739 /nfs/dbraw/zinc/98/37/39/1384983739.db2.gz NDRGCSOHYYXWHO-UHFFFAOYSA-N 2 2 329.492 3.011 20 30 EGEDLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C1CCC(C)(C#N)CC1)C2 ZINC001173594864 1384983743 /nfs/dbraw/zinc/98/37/43/1384983743.db2.gz NDRGCSOHYYXWHO-UHFFFAOYSA-N 2 2 329.492 3.011 20 30 EGEDLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C1CCC(C)(C#N)CC1)C2 ZINC001173594864 1384983749 /nfs/dbraw/zinc/98/37/49/1384983749.db2.gz NDRGCSOHYYXWHO-UHFFFAOYSA-N 2 2 329.492 3.011 20 30 EGEDLP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001178703682 1386284567 /nfs/dbraw/zinc/28/45/67/1386284567.db2.gz CHOVIUIRTZUMSW-ZVZYQTTQSA-N 2 2 340.471 3.190 20 30 EGEDLP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H]1C ZINC001179516665 1386503905 /nfs/dbraw/zinc/50/39/05/1386503905.db2.gz FQYNMYIKWXUEBK-ULQDDVLXSA-N 2 2 344.503 3.155 20 30 EGEDLP C=CCC[NH2+]CCCCCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001179973134 1386653992 /nfs/dbraw/zinc/65/39/92/1386653992.db2.gz QVEDRVROKMRIOW-UHFFFAOYSA-N 2 2 340.471 3.328 20 30 EGEDLP COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001340941079 1390409605 /nfs/dbraw/zinc/40/96/05/1390409605.db2.gz YORQMPKVOXAOKW-GOSISDBHSA-N 2 2 336.439 3.347 20 30 EGEDLP COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001340941079 1390409607 /nfs/dbraw/zinc/40/96/07/1390409607.db2.gz YORQMPKVOXAOKW-GOSISDBHSA-N 2 2 336.439 3.347 20 30 EGEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1CC ZINC001754465316 1440604159 /nfs/dbraw/zinc/60/41/59/1440604159.db2.gz RIAJUBWSLAROHO-NVXWUHKLSA-N 2 2 340.471 3.359 20 30 EGEDLP C=CCCC[NH2+]C[C@H](NC(=O)c1cccc2[nH+]ccn21)C1CCCC1 ZINC001754650423 1440651696 /nfs/dbraw/zinc/65/16/96/1440651696.db2.gz LOBBPHASXFGHFL-KRWDZBQOSA-N 2 2 340.471 3.179 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001755142238 1440761032 /nfs/dbraw/zinc/76/10/32/1440761032.db2.gz OVQNZLSNJKJJAK-IAGOWNOFSA-N 2 2 332.492 3.017 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001755142238 1440761033 /nfs/dbraw/zinc/76/10/33/1440761033.db2.gz OVQNZLSNJKJJAK-IAGOWNOFSA-N 2 2 332.492 3.017 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]C1CCC(N(C)C(=O)CCc2[nH+]ccn2C)CC1 ZINC001755275223 1440798821 /nfs/dbraw/zinc/79/88/21/1440798821.db2.gz RCUXQCQGJBNCFO-WWDZGPRUSA-N 2 2 346.519 3.067 20 30 EGEDLP C=C(C)C[NH2+][C@@H](CCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001755340018 1440824874 /nfs/dbraw/zinc/82/48/74/1440824874.db2.gz QWCFCKIJHLGXTQ-SFHVURJKSA-N 2 2 342.487 3.295 20 30 EGEDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000377647446 169054788 /nfs/dbraw/zinc/05/47/88/169054788.db2.gz IOPBRDXOQMWPNJ-UHFFFAOYSA-N 2 2 325.387 3.444 20 30 EGEDLP N#Cc1cccc([C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CCO2)c1 ZINC000378309534 169099793 /nfs/dbraw/zinc/09/97/93/169099793.db2.gz IEEWLOUTCODMSH-NRFANRHFSA-N 2 2 344.418 3.317 20 30 EGEDLP N#Cc1cccc([C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CCO2)c1 ZINC000378309534 169099796 /nfs/dbraw/zinc/09/97/96/169099796.db2.gz IEEWLOUTCODMSH-NRFANRHFSA-N 2 2 344.418 3.317 20 30 EGEDLP C[C@@]1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCC[C@@H]1O ZINC000271876021 267116290 /nfs/dbraw/zinc/11/62/90/267116290.db2.gz OBWSJDRSQLGQOP-SFTDATJTSA-N 2 2 341.499 3.053 20 30 EGEDLP Cc1cc(N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c(C#N)c[nH+]1 ZINC000399555069 267342770 /nfs/dbraw/zinc/34/27/70/267342770.db2.gz CLKZMHHWQLNAJI-UYAOXDASSA-N 2 2 332.451 3.220 20 30 EGEDLP Cc1cc(N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(C#N)c[nH+]1 ZINC000399555069 267342772 /nfs/dbraw/zinc/34/27/72/267342772.db2.gz CLKZMHHWQLNAJI-UYAOXDASSA-N 2 2 332.451 3.220 20 30 EGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](Cc3ccncc3)CC1)CC2 ZINC000520293659 312499906 /nfs/dbraw/zinc/49/99/06/312499906.db2.gz FVXFCQZONQGEOX-OAQYLSRUSA-N 2 2 332.451 3.195 20 30 EGEDLP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000173619559 455317333 /nfs/dbraw/zinc/31/73/33/455317333.db2.gz OXOIQEHZMSNRDM-ZDUSSCGKSA-N 2 2 348.878 3.001 20 30 EGEDLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)Cc3ccc(C#N)cc3)c2cc1C ZINC000051322711 454618661 /nfs/dbraw/zinc/61/86/61/454618661.db2.gz WACOLGKHYAEFKJ-LJQANCHMSA-N 2 2 348.450 3.018 20 30 EGEDLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)Cc3ccc(C#N)cc3)c2cc1C ZINC000051322711 454618666 /nfs/dbraw/zinc/61/86/66/454618666.db2.gz WACOLGKHYAEFKJ-LJQANCHMSA-N 2 2 348.450 3.018 20 30 EGEDLP C=CCOc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCC)C2)cc1OC ZINC000093742243 454732032 /nfs/dbraw/zinc/73/20/32/454732032.db2.gz RSDFIUPUZAOXGH-SFHVURJKSA-N 2 2 332.488 3.424 20 30 EGEDLP C=CCOc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCC)C2)cc1OC ZINC000093742243 454732035 /nfs/dbraw/zinc/73/20/35/454732035.db2.gz RSDFIUPUZAOXGH-SFHVURJKSA-N 2 2 332.488 3.424 20 30 EGEDLP C=CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCC)C2)cc1OC ZINC000093742243 454732038 /nfs/dbraw/zinc/73/20/38/454732038.db2.gz RSDFIUPUZAOXGH-SFHVURJKSA-N 2 2 332.488 3.424 20 30 EGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCC)C2)cc1OC ZINC000093742243 454732042 /nfs/dbraw/zinc/73/20/42/454732042.db2.gz RSDFIUPUZAOXGH-SFHVURJKSA-N 2 2 332.488 3.424 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000152975003 454748796 /nfs/dbraw/zinc/74/87/96/454748796.db2.gz NVVQEOVOCGZFOS-NRFANRHFSA-N 2 2 327.516 3.281 20 30 EGEDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000176971338 454806077 /nfs/dbraw/zinc/80/60/77/454806077.db2.gz BUYLVLUHFMTFHQ-KSSFIOAISA-N 2 2 326.469 3.015 20 30 EGEDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000176971338 454806078 /nfs/dbraw/zinc/80/60/78/454806078.db2.gz BUYLVLUHFMTFHQ-KSSFIOAISA-N 2 2 326.469 3.015 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000177909384 454919060 /nfs/dbraw/zinc/91/90/60/454919060.db2.gz XELAQVWJWGAVAM-INIZCTEOSA-N 2 2 327.472 3.114 20 30 EGEDLP N#Cc1cc(F)ccc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182961646 455200063 /nfs/dbraw/zinc/20/00/63/455200063.db2.gz ZHVBVLSDJMRBKX-UHFFFAOYSA-N 2 2 345.462 3.022 20 30 EGEDLP Cc1cccn2cc(COc3ccc(C[NH2+]C[C@@H](C)C#N)cc3)[nH+]c12 ZINC000183822593 455330619 /nfs/dbraw/zinc/33/06/19/455330619.db2.gz AVSSINLXDVLRGN-HNNXBMFYSA-N 2 2 334.423 3.471 20 30 EGEDLP CC[NH+]=C(NCCc1ccsc1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261961235 455978491 /nfs/dbraw/zinc/97/84/91/455978491.db2.gz KFTUOGSNOWKVEH-DOTOQJQBSA-N 2 2 345.516 3.036 20 30 EGEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Br)c1 ZINC000272607809 456012439 /nfs/dbraw/zinc/01/24/39/456012439.db2.gz WIQKYNJNJBPQGR-CQSZACIVSA-N 2 2 345.244 3.423 20 30 EGEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Br)c1 ZINC000272607809 456012442 /nfs/dbraw/zinc/01/24/42/456012442.db2.gz WIQKYNJNJBPQGR-CQSZACIVSA-N 2 2 345.244 3.423 20 30 EGEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Br)c1 ZINC000272607806 456012866 /nfs/dbraw/zinc/01/28/66/456012866.db2.gz WIQKYNJNJBPQGR-AWEZNQCLSA-N 2 2 345.244 3.423 20 30 EGEDLP N#Cc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Br)c1 ZINC000272607806 456012871 /nfs/dbraw/zinc/01/28/71/456012871.db2.gz WIQKYNJNJBPQGR-AWEZNQCLSA-N 2 2 345.244 3.423 20 30 EGEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])Nc1cc(F)ccc1F)c1ccco1 ZINC000288774088 456103921 /nfs/dbraw/zinc/10/39/21/456103921.db2.gz VISXMNGOLSMDHE-HNNXBMFYSA-N 2 2 336.386 3.368 20 30 EGEDLP C=CCC[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccco1 ZINC000340505223 456498618 /nfs/dbraw/zinc/49/86/18/456498618.db2.gz NJZTWLADWZCFRX-VQTJNVASSA-N 2 2 340.467 3.296 20 30 EGEDLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348303792 456607870 /nfs/dbraw/zinc/60/78/70/456607870.db2.gz FPXNMIQKVPIHJC-RTBURBONSA-N 2 2 346.906 3.007 20 30 EGEDLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348303792 456607876 /nfs/dbraw/zinc/60/78/76/456607876.db2.gz FPXNMIQKVPIHJC-RTBURBONSA-N 2 2 346.906 3.007 20 30 EGEDLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)CC2(C#N)CC2)cc1 ZINC000343565841 456709348 /nfs/dbraw/zinc/70/93/48/456709348.db2.gz RHISHJMYMBMTOX-UHFFFAOYSA-N 2 2 338.455 3.478 20 30 EGEDLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)CC2(C#N)CC2)cc1 ZINC000343565841 456709359 /nfs/dbraw/zinc/70/93/59/456709359.db2.gz RHISHJMYMBMTOX-UHFFFAOYSA-N 2 2 338.455 3.478 20 30 EGEDLP C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000330283477 457020727 /nfs/dbraw/zinc/02/07/27/457020727.db2.gz WDZBRTCMRROYCA-CRAIPNDOSA-N 2 2 331.460 3.460 20 30 EGEDLP C[C@H](C(=O)NCC1CCCCC1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000330283477 457020732 /nfs/dbraw/zinc/02/07/32/457020732.db2.gz WDZBRTCMRROYCA-CRAIPNDOSA-N 2 2 331.460 3.460 20 30 EGEDLP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CC(=O)NC3CCCC3)C1)CCCC2 ZINC000330342548 457031202 /nfs/dbraw/zinc/03/12/02/457031202.db2.gz BAWGSXSSGSALLT-MRXNPFEDSA-N 2 2 330.476 3.216 20 30 EGEDLP Cc1cc(NC(=O)N[C@H](C)CC[NH+](C)C)c[nH+]c1N1CCCC[C@H]1C ZINC000330771480 457082702 /nfs/dbraw/zinc/08/27/02/457082702.db2.gz CGQHIBXWMQYLHD-HZPDHXFCSA-N 2 2 347.507 3.435 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352526860 457439484 /nfs/dbraw/zinc/43/94/84/457439484.db2.gz SQMTZRFMWGCXAW-OAHLLOKOSA-N 2 2 333.501 3.107 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352526860 457439491 /nfs/dbraw/zinc/43/94/91/457439491.db2.gz SQMTZRFMWGCXAW-OAHLLOKOSA-N 2 2 333.501 3.107 20 30 EGEDLP CCCCCCCCCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369274233 458153468 /nfs/dbraw/zinc/15/34/68/458153468.db2.gz NMXNZALOYVFXQX-GOSISDBHSA-N 2 2 337.552 3.412 20 30 EGEDLP CCCCCCCCCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369274233 458153473 /nfs/dbraw/zinc/15/34/73/458153473.db2.gz NMXNZALOYVFXQX-GOSISDBHSA-N 2 2 337.552 3.412 20 30 EGEDLP CCC(C)(C)OCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000453405630 458526114 /nfs/dbraw/zinc/52/61/14/458526114.db2.gz JOWCCFQXSOJNAW-UHFFFAOYSA-N 2 2 329.488 3.317 20 30 EGEDLP C=CCc1cc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc(OC)c1O ZINC000377833326 458545242 /nfs/dbraw/zinc/54/52/42/458545242.db2.gz YKFLPEYKZZEDPK-QGZVFWFLSA-N 2 2 341.455 3.301 20 30 EGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@H]3CCOC4(CCC4)C3)CC2)c1 ZINC000593691859 459952590 /nfs/dbraw/zinc/95/25/90/459952590.db2.gz QOQFUBGOJVEYEG-FQEVSTJZSA-N 2 2 339.483 3.214 20 30 EGEDLP Cc1cc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)ccc1C#N ZINC000593693102 459954100 /nfs/dbraw/zinc/95/41/00/459954100.db2.gz OZILYCIFMKEYKH-UHFFFAOYSA-N 2 2 344.462 3.493 20 30 EGEDLP COC1(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CCCCC1 ZINC000593693339 459954882 /nfs/dbraw/zinc/95/48/82/459954882.db2.gz VIIBMHUJPAATFJ-UHFFFAOYSA-N 2 2 341.499 3.462 20 30 EGEDLP CC(C)[NH2+][C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000609385677 459956015 /nfs/dbraw/zinc/95/60/15/459956015.db2.gz DLSKRKCQCAFYTB-INIZCTEOSA-N 2 2 348.878 3.003 20 30 EGEDLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000609385677 459956020 /nfs/dbraw/zinc/95/60/20/459956020.db2.gz DLSKRKCQCAFYTB-INIZCTEOSA-N 2 2 348.878 3.003 20 30 EGEDLP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(C#N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000602478191 459957586 /nfs/dbraw/zinc/95/75/86/459957586.db2.gz ZXJZEEKEGJTNIO-UWJYYQICSA-N 2 2 334.467 3.438 20 30 EGEDLP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(C#N)n2)CC[N@H+]1Cc1ccccc1 ZINC000602478191 459957591 /nfs/dbraw/zinc/95/75/91/459957591.db2.gz ZXJZEEKEGJTNIO-UWJYYQICSA-N 2 2 334.467 3.438 20 30 EGEDLP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(C#N)n2)CC[NH+]1Cc1ccccc1 ZINC000602478191 459957596 /nfs/dbraw/zinc/95/75/96/459957596.db2.gz ZXJZEEKEGJTNIO-UWJYYQICSA-N 2 2 334.467 3.438 20 30 EGEDLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(C#N)n2)CC[NH+]1Cc1ccccc1 ZINC000602478191 459957603 /nfs/dbraw/zinc/95/76/03/459957603.db2.gz ZXJZEEKEGJTNIO-UWJYYQICSA-N 2 2 334.467 3.438 20 30 EGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@]1(C)CCCO1 ZINC000593721915 459964618 /nfs/dbraw/zinc/96/46/18/459964618.db2.gz NQGPAOXFCLSYHG-UZLBHIALSA-N 2 2 327.472 3.070 20 30 EGEDLP COCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593725030 459965609 /nfs/dbraw/zinc/96/56/09/459965609.db2.gz HWERGZDUVMOLCW-FPOVZHCZSA-N 2 2 341.499 3.317 20 30 EGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000602520137 459979678 /nfs/dbraw/zinc/97/96/78/459979678.db2.gz FJDXIPZBHLMWFP-OAHLLOKOSA-N 2 2 342.418 3.200 20 30 EGEDLP CC[NH+](CC)Cc1nc(C2([NH2+]C[C@@H](C)CCC#N)CCCC2)no1 ZINC000602546386 459992361 /nfs/dbraw/zinc/99/23/61/459992361.db2.gz LWNVYFZQKMMPOS-HNNXBMFYSA-N 2 2 333.480 3.210 20 30 EGEDLP C=C(C)[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(F)c(F)c1 ZINC000655757650 461425310 /nfs/dbraw/zinc/42/53/10/461425310.db2.gz WLWNBFVNAOIFPK-LPHOPBHVSA-N 2 2 336.426 3.425 20 30 EGEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000653590579 461745409 /nfs/dbraw/zinc/74/54/09/461745409.db2.gz MRIGJNMWAZQLFY-OAHLLOKOSA-N 2 2 349.356 3.160 20 30 EGEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000653590579 461745421 /nfs/dbraw/zinc/74/54/21/461745421.db2.gz MRIGJNMWAZQLFY-OAHLLOKOSA-N 2 2 349.356 3.160 20 30 EGEDLP C[C@H]1C[NH+](CC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)C[C@H](C)O1 ZINC000159586142 533922507 /nfs/dbraw/zinc/92/25/07/533922507.db2.gz TVWYVKWBPRLJAC-HOTGVXAUSA-N 2 2 345.462 3.019 20 30 EGEDLP C#CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000178232026 527115595 /nfs/dbraw/zinc/11/55/95/527115595.db2.gz UQTBKFCLUMZJOJ-SFHVURJKSA-N 2 2 349.478 3.409 20 30 EGEDLP C[NH+]1CCC(CC(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000330114725 547513960 /nfs/dbraw/zinc/51/39/60/547513960.db2.gz FCZLMYMHVFQVPN-OAHLLOKOSA-N 2 2 332.492 3.184 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000184900653 1295227260 /nfs/dbraw/zinc/22/72/60/1295227260.db2.gz KHDJNAJXUXUJED-SFHVURJKSA-N 2 2 331.504 3.152 20 30 EGEDLP Oc1ccc(/C=[NH+]\CC2CC[NH+](Cc3ccccc3)CC2)c(O)c1O ZINC000255393218 1296528750 /nfs/dbraw/zinc/52/87/50/1296528750.db2.gz PJDIMUSBHOIEQP-BKUYFWCQSA-N 2 2 340.423 3.135 20 30 EGEDLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878149095 1299779396 /nfs/dbraw/zinc/77/93/96/1299779396.db2.gz SJOHMKOORKHWKR-PZJWPPBQSA-N 2 2 341.499 3.091 20 30 EGEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878149095 1299779403 /nfs/dbraw/zinc/77/94/03/1299779403.db2.gz SJOHMKOORKHWKR-PZJWPPBQSA-N 2 2 341.499 3.091 20 30 EGEDLP CC(=O)[C@@](C#N)(CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000878172425 1299796692 /nfs/dbraw/zinc/79/66/92/1299796692.db2.gz HTTSWYDZKGXDDF-FQEVSTJZSA-N 2 2 336.439 3.030 20 30 EGEDLP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001024576081 1323512504 /nfs/dbraw/zinc/51/25/04/1323512504.db2.gz PHQNTIIYXJAVPU-LJQANCHMSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001024576081 1323512509 /nfs/dbraw/zinc/51/25/09/1323512509.db2.gz PHQNTIIYXJAVPU-LJQANCHMSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814364 1323717450 /nfs/dbraw/zinc/71/74/50/1323717450.db2.gz RRXIIJQTIAQMTO-KRWDZBQOSA-N 2 2 349.906 3.085 20 30 EGEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814364 1323717455 /nfs/dbraw/zinc/71/74/55/1323717455.db2.gz RRXIIJQTIAQMTO-KRWDZBQOSA-N 2 2 349.906 3.085 20 30 EGEDLP C=C(Cl)C[N@H+]1CCC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948554666 1333573470 /nfs/dbraw/zinc/57/34/70/1333573470.db2.gz ZDWGRLXGIQTUFT-OAHLLOKOSA-N 2 2 346.862 3.242 20 30 EGEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948554666 1333573475 /nfs/dbraw/zinc/57/34/75/1333573475.db2.gz ZDWGRLXGIQTUFT-OAHLLOKOSA-N 2 2 346.862 3.242 20 30 EGEDLP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001040263409 1345401395 /nfs/dbraw/zinc/40/13/95/1345401395.db2.gz DYPLCFUVARVNJO-HXUWFJFHSA-N 2 2 338.455 3.067 20 30 EGEDLP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001040263409 1345401400 /nfs/dbraw/zinc/40/14/00/1345401400.db2.gz DYPLCFUVARVNJO-HXUWFJFHSA-N 2 2 338.455 3.067 20 30 EGEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053084336 1348904963 /nfs/dbraw/zinc/90/49/63/1348904963.db2.gz PSVUZWJDYTWOTB-ROUUACIJSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053084336 1348904966 /nfs/dbraw/zinc/90/49/66/1348904966.db2.gz PSVUZWJDYTWOTB-ROUUACIJSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001071898358 1355013674 /nfs/dbraw/zinc/01/36/74/1355013674.db2.gz ZKTXURUKVANQMD-YJBOKZPZSA-N 2 2 349.906 3.083 20 30 EGEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001071898358 1355013679 /nfs/dbraw/zinc/01/36/79/1355013679.db2.gz ZKTXURUKVANQMD-YJBOKZPZSA-N 2 2 349.906 3.083 20 30 EGEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC[C@@H]1C ZINC001071954424 1355040094 /nfs/dbraw/zinc/04/00/94/1355040094.db2.gz OOHSGBXCVYYFSO-FUHWJXTLSA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC[C@@H]1C ZINC001071954424 1355040099 /nfs/dbraw/zinc/04/00/99/1355040099.db2.gz OOHSGBXCVYYFSO-FUHWJXTLSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001184660192 1387505656 /nfs/dbraw/zinc/50/56/56/1387505656.db2.gz IDHNMXDGTUFOSP-SJLPKXTDSA-N 2 2 338.455 3.031 20 30 EGEDLP C[C@@H](N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccccc1 ZINC001324230672 1387562272 /nfs/dbraw/zinc/56/22/72/1387562272.db2.gz IAIUZTQZMMXDQK-MRXNPFEDSA-N 2 2 340.446 3.262 20 30 EGEDLP C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001099252601 1363715038 /nfs/dbraw/zinc/71/50/38/1363715038.db2.gz XPFJWZHHTPPKIO-QZTJIDSGSA-N 2 2 346.519 3.407 20 30 EGEDLP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001099252601 1363715039 /nfs/dbraw/zinc/71/50/39/1363715039.db2.gz XPFJWZHHTPPKIO-QZTJIDSGSA-N 2 2 346.519 3.407 20 30 EGEDLP C=C(Cl)C[NH2+]C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCCC1 ZINC001324482202 1387640043 /nfs/dbraw/zinc/64/00/43/1387640043.db2.gz JJFDIYCYCPGIMQ-QGZVFWFLSA-N 2 2 346.862 3.194 20 30 EGEDLP C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001101590139 1364640887 /nfs/dbraw/zinc/64/08/87/1364640887.db2.gz AIVUBLVQYUTBFQ-UHFFFAOYSA-N 2 2 346.519 3.118 20 30 EGEDLP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001109448245 1367128442 /nfs/dbraw/zinc/12/84/42/1367128442.db2.gz HCDQNQWWNBQPLJ-PZFZOXMESA-N 2 2 338.455 3.253 20 30 EGEDLP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001109448245 1367128446 /nfs/dbraw/zinc/12/84/46/1367128446.db2.gz HCDQNQWWNBQPLJ-PZFZOXMESA-N 2 2 338.455 3.253 20 30 EGEDLP C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001190175992 1367191756 /nfs/dbraw/zinc/19/17/56/1367191756.db2.gz LQDACOBFLQMQKQ-YJBOKZPZSA-N 2 2 340.471 3.144 20 30 EGEDLP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001190175992 1367191761 /nfs/dbraw/zinc/19/17/61/1367191761.db2.gz LQDACOBFLQMQKQ-YJBOKZPZSA-N 2 2 340.471 3.144 20 30 EGEDLP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001190899110 1367378614 /nfs/dbraw/zinc/37/86/14/1367378614.db2.gz HLIUHBRUDHZJQI-SFHVURJKSA-N 2 2 348.535 3.430 20 30 EGEDLP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001190899110 1367378619 /nfs/dbraw/zinc/37/86/19/1367378619.db2.gz HLIUHBRUDHZJQI-SFHVURJKSA-N 2 2 348.535 3.430 20 30 EGEDLP C=CCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001108671821 1367524868 /nfs/dbraw/zinc/52/48/68/1367524868.db2.gz WNVPJSZSGVSWAX-KSZLIROESA-N 2 2 344.503 3.058 20 30 EGEDLP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1c(C)cc(C)[nH+]c1C)C2 ZINC001108730508 1367562498 /nfs/dbraw/zinc/56/24/98/1367562498.db2.gz QFHQRGQHQXDHLC-KSZLIROESA-N 2 2 327.472 3.166 20 30 EGEDLP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001192576905 1367822592 /nfs/dbraw/zinc/82/25/92/1367822592.db2.gz ASCSTEIOBFOCAI-ZWKOTPCHSA-N 2 2 332.492 3.113 20 30 EGEDLP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001192576905 1367822595 /nfs/dbraw/zinc/82/25/95/1367822595.db2.gz ASCSTEIOBFOCAI-ZWKOTPCHSA-N 2 2 332.492 3.113 20 30 EGEDLP CCCCCCC[N@@H+]1CCC[C@]2(C1)COCC[NH+](CCOC)C2 ZINC001201762906 1369618852 /nfs/dbraw/zinc/61/88/52/1369618852.db2.gz ZAIGINURZGNZHT-LJQANCHMSA-N 2 2 326.525 3.018 20 30 EGEDLP CCCCCCC[N@H+]1CCC[C@]2(C1)COCC[NH+](CCOC)C2 ZINC001201762906 1369618854 /nfs/dbraw/zinc/61/88/54/1369618854.db2.gz ZAIGINURZGNZHT-LJQANCHMSA-N 2 2 326.525 3.018 20 30 EGEDLP CCCCCCC[NH+]1CCC[C@]2(C1)COCC[N@H+](CCOC)C2 ZINC001201762906 1369618856 /nfs/dbraw/zinc/61/88/56/1369618856.db2.gz ZAIGINURZGNZHT-LJQANCHMSA-N 2 2 326.525 3.018 20 30 EGEDLP CCCCCCC[NH+]1CCC[C@]2(C1)COCC[N@@H+](CCOC)C2 ZINC001201762906 1369618861 /nfs/dbraw/zinc/61/88/61/1369618861.db2.gz ZAIGINURZGNZHT-LJQANCHMSA-N 2 2 326.525 3.018 20 30 EGEDLP CCCCCCCC[N@@H+]1CCC[C@]2(C1)COCC[NH+](CCOC)C2 ZINC001201814360 1369628309 /nfs/dbraw/zinc/62/83/09/1369628309.db2.gz OGJRJFQWGNCEFX-HXUWFJFHSA-N 2 2 340.552 3.408 20 30 EGEDLP CCCCCCCC[N@H+]1CCC[C@]2(C1)COCC[NH+](CCOC)C2 ZINC001201814360 1369628315 /nfs/dbraw/zinc/62/83/15/1369628315.db2.gz OGJRJFQWGNCEFX-HXUWFJFHSA-N 2 2 340.552 3.408 20 30 EGEDLP CCCCCCCC[NH+]1CCC[C@]2(C1)COCC[N@H+](CCOC)C2 ZINC001201814360 1369628316 /nfs/dbraw/zinc/62/83/16/1369628316.db2.gz OGJRJFQWGNCEFX-HXUWFJFHSA-N 2 2 340.552 3.408 20 30 EGEDLP CCCCCCCC[NH+]1CCC[C@]2(C1)COCC[N@@H+](CCOC)C2 ZINC001201814360 1369628323 /nfs/dbraw/zinc/62/83/23/1369628323.db2.gz OGJRJFQWGNCEFX-HXUWFJFHSA-N 2 2 340.552 3.408 20 30 EGEDLP C=CCCC[NH2+]C1(CNC(=O)C[C@H](C)n2cc[nH+]c2)CCCCC1 ZINC001115752406 1370733560 /nfs/dbraw/zinc/73/35/60/1370733560.db2.gz AXEUBZGDDRXMMQ-KRWDZBQOSA-N 2 2 332.492 3.209 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001205679451 1370840610 /nfs/dbraw/zinc/84/06/10/1370840610.db2.gz HJQLPNLLQQGQBQ-INIZCTEOSA-N 2 2 340.471 3.131 20 30 EGEDLP CCCCCCC[NH2+]CC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001206533473 1371086101 /nfs/dbraw/zinc/08/61/01/1371086101.db2.gz KKZIJYSBAULVRZ-QGZVFWFLSA-N 2 2 348.535 3.387 20 30 EGEDLP CCCCCCC[NH2+]CC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001206533473 1371086106 /nfs/dbraw/zinc/08/61/06/1371086106.db2.gz KKZIJYSBAULVRZ-QGZVFWFLSA-N 2 2 348.535 3.387 20 30 EGEDLP C=CC[NH+](CC=C)CCN1CC[NH+](CCc2cccc(Cl)c2)CC1 ZINC001207426126 1371391963 /nfs/dbraw/zinc/39/19/63/1371391963.db2.gz VXYGVELWTPYAMM-UHFFFAOYSA-N 2 2 347.934 3.174 20 30 EGEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001208386539 1371746871 /nfs/dbraw/zinc/74/68/71/1371746871.db2.gz DNKFZSHUBAMZMH-QZTJIDSGSA-N 2 2 332.492 3.017 20 30 EGEDLP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001209866275 1372217884 /nfs/dbraw/zinc/21/78/84/1372217884.db2.gz QPTBCSBGQJPCNV-MSOLQXFVSA-N 2 2 332.492 3.161 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001122285508 1372221934 /nfs/dbraw/zinc/22/19/34/1372221934.db2.gz YOGKZOZMAYCYBZ-UFQJCFOOSA-N 2 2 344.503 3.035 20 30 EGEDLP COc1cc(C#N)ccc1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001231618515 1376283253 /nfs/dbraw/zinc/28/32/53/1376283253.db2.gz NECBXLJLZFIAGJ-IBGZPJMESA-N 2 2 327.472 3.407 20 30 EGEDLP COc1cc(C#N)ccc1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001231618515 1376283259 /nfs/dbraw/zinc/28/32/59/1376283259.db2.gz NECBXLJLZFIAGJ-IBGZPJMESA-N 2 2 327.472 3.407 20 30 EGEDLP Cc1cc(C#N)ccc1C[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001233079777 1376565686 /nfs/dbraw/zinc/56/56/86/1376565686.db2.gz NEYMWWKGTROPTL-OAQYLSRUSA-N 2 2 341.499 3.190 20 30 EGEDLP Cc1cc(C#N)ccc1C[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001233079777 1376565690 /nfs/dbraw/zinc/56/56/90/1376565690.db2.gz NEYMWWKGTROPTL-OAQYLSRUSA-N 2 2 341.499 3.190 20 30 EGEDLP Cc1cc(C#N)ccc1C[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001233079777 1376565697 /nfs/dbraw/zinc/56/56/97/1376565697.db2.gz NEYMWWKGTROPTL-OAQYLSRUSA-N 2 2 341.499 3.190 20 30 EGEDLP Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001233079777 1376565701 /nfs/dbraw/zinc/56/57/01/1376565701.db2.gz NEYMWWKGTROPTL-OAQYLSRUSA-N 2 2 341.499 3.190 20 30 EGEDLP Cc1ccc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)cc1C#N ZINC001139723791 1377941734 /nfs/dbraw/zinc/94/17/34/1377941734.db2.gz HJBDBGOIBAVHRO-NRFANRHFSA-N 2 2 341.499 3.190 20 30 EGEDLP Cc1ccc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)cc1C#N ZINC001139723791 1377941736 /nfs/dbraw/zinc/94/17/36/1377941736.db2.gz HJBDBGOIBAVHRO-NRFANRHFSA-N 2 2 341.499 3.190 20 30 EGEDLP Cc1ccc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)cc1C#N ZINC001139723791 1377941738 /nfs/dbraw/zinc/94/17/38/1377941738.db2.gz HJBDBGOIBAVHRO-NRFANRHFSA-N 2 2 341.499 3.190 20 30 EGEDLP Cc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)cc1C#N ZINC001139723791 1377941740 /nfs/dbraw/zinc/94/17/40/1377941740.db2.gz HJBDBGOIBAVHRO-NRFANRHFSA-N 2 2 341.499 3.190 20 30 EGEDLP CCCCCCC[NH2+]CCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001146474747 1378846581 /nfs/dbraw/zinc/84/65/81/1378846581.db2.gz YDBNDSQPGYDMQI-UHFFFAOYSA-N 2 2 328.460 3.162 20 30 EGEDLP C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155522198 1380464257 /nfs/dbraw/zinc/46/42/57/1380464257.db2.gz QUAYPESSPWLRPW-QZTJIDSGSA-N 2 2 334.508 3.407 20 30 EGEDLP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155522198 1380464258 /nfs/dbraw/zinc/46/42/58/1380464258.db2.gz QUAYPESSPWLRPW-QZTJIDSGSA-N 2 2 334.508 3.407 20 30 EGEDLP C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001155751584 1380489014 /nfs/dbraw/zinc/48/90/14/1380489014.db2.gz PWWYOBKJBQBWKG-IAGOWNOFSA-N 2 2 334.508 3.161 20 30 EGEDLP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001155751584 1380489015 /nfs/dbraw/zinc/48/90/15/1380489015.db2.gz PWWYOBKJBQBWKG-IAGOWNOFSA-N 2 2 334.508 3.161 20 30 EGEDLP C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001155751584 1380489016 /nfs/dbraw/zinc/48/90/16/1380489016.db2.gz PWWYOBKJBQBWKG-IAGOWNOFSA-N 2 2 334.508 3.161 20 30 EGEDLP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001155751584 1380489017 /nfs/dbraw/zinc/48/90/17/1380489017.db2.gz PWWYOBKJBQBWKG-IAGOWNOFSA-N 2 2 334.508 3.161 20 30 EGEDLP C=C(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001158534214 1381285322 /nfs/dbraw/zinc/28/53/22/1381285322.db2.gz RGKDXSWVSIBGDM-QZTJIDSGSA-N 2 2 332.492 3.113 20 30 EGEDLP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001158534214 1381285325 /nfs/dbraw/zinc/28/53/25/1381285325.db2.gz RGKDXSWVSIBGDM-QZTJIDSGSA-N 2 2 332.492 3.113 20 30 EGEDLP CCCCCCC[N@H+]1CC=C(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001161336676 1382374668 /nfs/dbraw/zinc/37/46/68/1382374668.db2.gz XANDWLNCTHRTKK-UHFFFAOYSA-N 2 2 332.492 3.061 20 30 EGEDLP CCCCCCC[N@@H+]1CC=C(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001161336676 1382374673 /nfs/dbraw/zinc/37/46/73/1382374673.db2.gz XANDWLNCTHRTKK-UHFFFAOYSA-N 2 2 332.492 3.061 20 30 EGEDLP C=C(C)CC[NH2+]CC1(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001165756765 1383340048 /nfs/dbraw/zinc/34/00/48/1383340048.db2.gz VZWKPGJHUZSTMF-UHFFFAOYSA-N 2 2 326.444 3.019 20 30 EGEDLP C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001171179970 1384462232 /nfs/dbraw/zinc/46/22/32/1384462232.db2.gz ZYXZVAKVVJFXRK-SFHVURJKSA-N 2 2 349.478 3.111 20 30 EGEDLP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001171476423 1384534212 /nfs/dbraw/zinc/53/42/12/1384534212.db2.gz UXOKUVAYGNIAOU-MRXNPFEDSA-N 2 2 334.508 3.157 20 30 EGEDLP CC1(C#N)CCC([NH2+]C2CC[NH+](Cc3ccc(O)cc3)CC2)CC1 ZINC001173590565 1384982941 /nfs/dbraw/zinc/98/29/41/1384982941.db2.gz BTRVQQNJZMOHKE-UHFFFAOYSA-N 2 2 327.472 3.419 20 30 EGEDLP C=C(C)C[NH2+]CCCCCCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001178770504 1386298427 /nfs/dbraw/zinc/29/84/27/1386298427.db2.gz KTFHTMYMAWUUSC-SFHVURJKSA-N 2 2 334.508 3.313 20 30 EGEDLP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H]1C ZINC001179688796 1386554482 /nfs/dbraw/zinc/55/44/82/1386554482.db2.gz JTZSVGDTQUENMP-RYRKJORJSA-N 2 2 334.508 3.138 20 30 EGEDLP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179688796 1386554488 /nfs/dbraw/zinc/55/44/88/1386554488.db2.gz JTZSVGDTQUENMP-RYRKJORJSA-N 2 2 334.508 3.138 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001179776975 1386581890 /nfs/dbraw/zinc/58/18/90/1386581890.db2.gz LKKJHAPWIHXSBG-IRXDYDNUSA-N 2 2 334.508 3.209 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001179776975 1386581894 /nfs/dbraw/zinc/58/18/94/1386581894.db2.gz LKKJHAPWIHXSBG-IRXDYDNUSA-N 2 2 334.508 3.209 20 30 EGEDLP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001181819919 1387060356 /nfs/dbraw/zinc/06/03/56/1387060356.db2.gz CLLOUNIGOVMRCV-WSTZPKSXSA-N 2 2 346.519 3.121 20 30 EGEDLP CCCCCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001494319557 1396429784 /nfs/dbraw/zinc/42/97/84/1396429784.db2.gz VEFPRTZPOYPBQN-SFHVURJKSA-N 2 2 348.535 3.478 20 30 EGEDLP CCCCCCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001494319557 1396429785 /nfs/dbraw/zinc/42/97/85/1396429785.db2.gz VEFPRTZPOYPBQN-SFHVURJKSA-N 2 2 348.535 3.478 20 30 EGEDLP C=CCC[C@H](C)[NH+]1CCC(N(CCC)C(=O)Cc2c[nH+]cn2C)CC1 ZINC001752441737 1440181567 /nfs/dbraw/zinc/18/15/67/1440181567.db2.gz LFBMAIXZVGJSQY-KRWDZBQOSA-N 2 2 346.519 3.020 20 30 EGEDLP C=C(C)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001753796352 1440489884 /nfs/dbraw/zinc/48/98/84/1440489884.db2.gz JYMJVCIQEPGHBF-SJLPKXTDSA-N 2 2 329.488 3.413 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CCCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001754370750 1440592565 /nfs/dbraw/zinc/59/25/65/1440592565.db2.gz LNHHIPZNRAIVBX-HNNXBMFYSA-N 2 2 328.460 3.049 20 30 EGEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1CC ZINC001754465317 1440604101 /nfs/dbraw/zinc/60/41/01/1440604101.db2.gz RIAJUBWSLAROHO-RDJZCZTQSA-N 2 2 340.471 3.359 20 30 EGEDLP C=CCC[NH2+]CC1(NC(=O)c2ccn3c(C)c[nH+]c3c2)CCCCC1 ZINC001755350982 1440827906 /nfs/dbraw/zinc/82/79/06/1440827906.db2.gz PBVHTOYJQMZUGU-UHFFFAOYSA-N 2 2 340.471 3.241 20 30 EGEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2C#N)[C@@H](C)C1 ZINC000248932736 163046669 /nfs/dbraw/zinc/04/66/69/163046669.db2.gz BNXPTCQAMLBEGO-HNAYVOBHSA-N 2 2 349.906 3.438 20 30 EGEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2C#N)[C@@H](C)C1 ZINC000248932736 163046670 /nfs/dbraw/zinc/04/66/70/163046670.db2.gz BNXPTCQAMLBEGO-HNAYVOBHSA-N 2 2 349.906 3.438 20 30 EGEDLP C[C@H](c1ccc(C#N)cc1)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249566291 163063853 /nfs/dbraw/zinc/06/38/53/163063853.db2.gz NCPLPYQCWYMRJH-GCJKJVERSA-N 2 2 349.478 3.188 20 30 EGEDLP C[C@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249566291 163063854 /nfs/dbraw/zinc/06/38/54/163063854.db2.gz NCPLPYQCWYMRJH-GCJKJVERSA-N 2 2 349.478 3.188 20 30 EGEDLP C[C@H](c1ccc(C#N)cc1)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249566291 163063856 /nfs/dbraw/zinc/06/38/56/163063856.db2.gz NCPLPYQCWYMRJH-GCJKJVERSA-N 2 2 349.478 3.188 20 30 EGEDLP C[C@H](c1ccc(C#N)cc1)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249566291 163063857 /nfs/dbraw/zinc/06/38/57/163063857.db2.gz NCPLPYQCWYMRJH-GCJKJVERSA-N 2 2 349.478 3.188 20 30 EGEDLP C[C@H]([NH2+][C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1)c1ccc(C#N)cc1F ZINC000332429643 270045265 /nfs/dbraw/zinc/04/52/65/270045265.db2.gz PTJVNLVFEIXGCV-WPKBUWHJSA-N 2 2 328.391 3.002 20 30 EGEDLP N#Cc1ccc(N2CCC([NH2+]CCc3cn4ccccc4[nH+]3)CC2)cc1 ZINC000285576470 268107399 /nfs/dbraw/zinc/10/73/99/268107399.db2.gz IHIXJFGYXJMBTI-UHFFFAOYSA-N 2 2 345.450 3.007 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3(CCO)CCCC3)CC2)cc1 ZINC000271917384 275241440 /nfs/dbraw/zinc/24/14/40/275241440.db2.gz ZGZIBJPSEQSSNR-UHFFFAOYSA-N 2 2 341.499 3.055 20 30 EGEDLP C=CC[NH+]1CCC([NH2+]C2CCC3(CC2)C(=O)Nc2ccccc23)CC1 ZINC000177912794 275427635 /nfs/dbraw/zinc/42/76/35/275427635.db2.gz ZUXFTFILCCZSMJ-UHFFFAOYSA-N 2 2 339.483 3.059 20 30 EGEDLP CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCN(c3cccc[nH+]3)C2)c(O)c1 ZINC000133119328 454394301 /nfs/dbraw/zinc/39/43/01/454394301.db2.gz NDZHYEVRVUAFLC-FEMWLQECSA-N 2 2 338.455 3.331 20 30 EGEDLP C=CCOc1ccc(C[NH+]2[C@@H]3CC[C@H]2C[N@H+](CC)CC3)cc1OC ZINC000091892658 454486135 /nfs/dbraw/zinc/48/61/35/454486135.db2.gz VNYNNKYMRJJFLG-MSOLQXFVSA-N 2 2 330.472 3.319 20 30 EGEDLP C=CCOc1ccc(C[NH+]2[C@@H]3CC[C@H]2C[N@@H+](CC)CC3)cc1OC ZINC000091892658 454486137 /nfs/dbraw/zinc/48/61/37/454486137.db2.gz VNYNNKYMRJJFLG-MSOLQXFVSA-N 2 2 330.472 3.319 20 30 EGEDLP C=CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[NH+](CC)CC3)cc1OC ZINC000091892658 454486140 /nfs/dbraw/zinc/48/61/40/454486140.db2.gz VNYNNKYMRJJFLG-MSOLQXFVSA-N 2 2 330.472 3.319 20 30 EGEDLP C=CCOc1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[NH+](CC)CC3)cc1OC ZINC000091892658 454486141 /nfs/dbraw/zinc/48/61/41/454486141.db2.gz VNYNNKYMRJJFLG-MSOLQXFVSA-N 2 2 330.472 3.319 20 30 EGEDLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)Cc3cccc(C#N)c3)c2cc1C ZINC000051322653 454618819 /nfs/dbraw/zinc/61/88/19/454618819.db2.gz YHKNPWVTAIGJDU-LJQANCHMSA-N 2 2 348.450 3.018 20 30 EGEDLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)Cc3cccc(C#N)c3)c2cc1C ZINC000051322653 454618822 /nfs/dbraw/zinc/61/88/22/454618822.db2.gz YHKNPWVTAIGJDU-LJQANCHMSA-N 2 2 348.450 3.018 20 30 EGEDLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)cn1 ZINC000181540242 455352534 /nfs/dbraw/zinc/35/25/34/455352534.db2.gz ACTHNURBSGMIJN-OAHLLOKOSA-N 2 2 347.422 3.329 20 30 EGEDLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(C#N)ccc3Br)C2)C1 ZINC000292969745 455768445 /nfs/dbraw/zinc/76/84/45/455768445.db2.gz MEKKUABLHSSPMZ-QGZVFWFLSA-N 2 2 348.288 3.238 20 30 EGEDLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(C#N)ccc3Br)C2)C1 ZINC000292969745 455768447 /nfs/dbraw/zinc/76/84/47/455768447.db2.gz MEKKUABLHSSPMZ-QGZVFWFLSA-N 2 2 348.288 3.238 20 30 EGEDLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(C#N)ccc3Br)C2)C1 ZINC000292969745 455768448 /nfs/dbraw/zinc/76/84/48/455768448.db2.gz MEKKUABLHSSPMZ-QGZVFWFLSA-N 2 2 348.288 3.238 20 30 EGEDLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(C#N)ccc3Br)C2)C1 ZINC000292969745 455768451 /nfs/dbraw/zinc/76/84/51/455768451.db2.gz MEKKUABLHSSPMZ-QGZVFWFLSA-N 2 2 348.288 3.238 20 30 EGEDLP CC(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000271818887 455773411 /nfs/dbraw/zinc/77/34/11/455773411.db2.gz BYDYWGMHWMGHBN-RTWAWAEBSA-N 2 2 341.499 3.316 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCc3ccc(O)cc3)CC2)cc1 ZINC000271830006 455778797 /nfs/dbraw/zinc/77/87/97/455778797.db2.gz DVXFZFFKHUZJOG-UHFFFAOYSA-N 2 2 349.478 3.451 20 30 EGEDLP CC(C)[C@H](O)C(C)(C)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271870395 455793228 /nfs/dbraw/zinc/79/32/28/455793228.db2.gz MNXJZTKPAWNYIW-FQEVSTJZSA-N 2 2 343.515 3.155 20 30 EGEDLP C#Cc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1 ZINC000289951457 456193460 /nfs/dbraw/zinc/19/34/60/456193460.db2.gz AURWLPCENPRFDG-UHFFFAOYSA-N 2 2 334.467 3.205 20 30 EGEDLP NC(=[NH+]OCc1ccc(F)cn1)c1ccccc1C[NH+]1CCCCC1 ZINC000276095175 456387044 /nfs/dbraw/zinc/38/70/44/456387044.db2.gz RGQXSCRRCVZXMR-UHFFFAOYSA-N 2 2 342.418 3.044 20 30 EGEDLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)N[C@@H]1CCOc2ccccc21 ZINC000329763366 456937362 /nfs/dbraw/zinc/93/73/62/456937362.db2.gz UKLLZRYKWXCZKJ-MRXNPFEDSA-N 2 2 340.427 3.069 20 30 EGEDLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000330309463 457025878 /nfs/dbraw/zinc/02/58/78/457025878.db2.gz UGAYRZXEALEPHF-MRXNPFEDSA-N 2 2 346.475 3.079 20 30 EGEDLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000330309463 457025881 /nfs/dbraw/zinc/02/58/81/457025881.db2.gz UGAYRZXEALEPHF-MRXNPFEDSA-N 2 2 346.475 3.079 20 30 EGEDLP CO[C@](C)([C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000414236530 458316863 /nfs/dbraw/zinc/31/68/63/458316863.db2.gz KTEWVISKWOOSAT-IIBYNOLFSA-N 2 2 341.499 3.316 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnn(-c3ccc(OC)cc3)c2)CC1 ZINC000449121837 458420725 /nfs/dbraw/zinc/42/07/25/458420725.db2.gz JJBPSSCFLFKRHW-UHFFFAOYSA-N 2 2 340.471 3.011 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(NC(C)=O)cc2OC)CC1 ZINC000438992806 458638870 /nfs/dbraw/zinc/63/88/70/458638870.db2.gz TYBJTKMLIABQPR-HNNXBMFYSA-N 2 2 345.487 3.345 20 30 EGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)C(C)C ZINC000554050684 458897190 /nfs/dbraw/zinc/89/71/90/458897190.db2.gz SLRJQZZNVVDQTN-OAGGEKHMSA-N 2 2 334.426 3.385 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000496007807 459035792 /nfs/dbraw/zinc/03/57/92/459035792.db2.gz CEXIEZJYBKBUCK-NVXWUHKLSA-N 2 2 337.508 3.014 20 30 EGEDLP N#Cc1ccc(N2CCC([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC000594522537 459079144 /nfs/dbraw/zinc/07/91/44/459079144.db2.gz ZLRTYNYBUCLDHX-NHCUHLMSSA-N 2 2 338.499 3.134 20 30 EGEDLP N#Cc1ccc(N2CCC([NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC000594522537 459079152 /nfs/dbraw/zinc/07/91/52/459079152.db2.gz ZLRTYNYBUCLDHX-NHCUHLMSSA-N 2 2 338.499 3.134 20 30 EGEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000595102098 459245930 /nfs/dbraw/zinc/24/59/30/459245930.db2.gz JMMBBVJMFKFUAR-TZIWHRDSSA-N 2 2 339.483 3.169 20 30 EGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)CC2 ZINC000596650366 459714633 /nfs/dbraw/zinc/71/46/33/459714633.db2.gz PJQPIBFCGGCVOC-TYPHKJRUSA-N 2 2 335.426 3.420 20 30 EGEDLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(C#N)n2)[C@H]1c1cccs1 ZINC000602549839 459991653 /nfs/dbraw/zinc/99/16/53/459991653.db2.gz GBYZHQVLBKDJGH-KSSFIOAISA-N 2 2 326.469 3.187 20 30 EGEDLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(C#N)n2)[C@H]1c1cccs1 ZINC000602549839 459991663 /nfs/dbraw/zinc/99/16/63/459991663.db2.gz GBYZHQVLBKDJGH-KSSFIOAISA-N 2 2 326.469 3.187 20 30 EGEDLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(C#N)n2)[C@@H]1c1cccs1 ZINC000602549837 459992629 /nfs/dbraw/zinc/99/26/29/459992629.db2.gz GBYZHQVLBKDJGH-KBXCAEBGSA-N 2 2 326.469 3.187 20 30 EGEDLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(C#N)n2)[C@@H]1c1cccs1 ZINC000602549837 459992633 /nfs/dbraw/zinc/99/26/33/459992633.db2.gz GBYZHQVLBKDJGH-KBXCAEBGSA-N 2 2 326.469 3.187 20 30 EGEDLP C[NH+](C)C1(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCCCCC1 ZINC000328874005 547486548 /nfs/dbraw/zinc/48/65/48/547486548.db2.gz JGXVYBIWHDDNAU-MRXNPFEDSA-N 2 2 347.507 3.158 20 30 EGEDLP FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000676557951 549109082 /nfs/dbraw/zinc/10/90/82/549109082.db2.gz AKKGFVYMZXZMKR-INIZCTEOSA-N 2 2 349.356 3.470 20 30 EGEDLP FC(F)(F)Oc1ccc(C#CC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000676557951 549109085 /nfs/dbraw/zinc/10/90/85/549109085.db2.gz AKKGFVYMZXZMKR-INIZCTEOSA-N 2 2 349.356 3.470 20 30 EGEDLP N#Cc1ccc(-c2ccn(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)n2)cc1 ZINC000738264508 576308018 /nfs/dbraw/zinc/30/80/18/576308018.db2.gz CZUWKMOGUVMJAJ-HXUWFJFHSA-N 2 2 349.482 3.330 20 30 EGEDLP N#Cc1ccc(-c2ccn(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)n2)cc1 ZINC000738264508 576308019 /nfs/dbraw/zinc/30/80/19/576308019.db2.gz CZUWKMOGUVMJAJ-HXUWFJFHSA-N 2 2 349.482 3.330 20 30 EGEDLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc(C#N)ccc2Br)C1 ZINC000922284203 1322491967 /nfs/dbraw/zinc/49/19/67/1322491967.db2.gz OBPGEWWEEFCWJW-CQSZACIVSA-N 2 2 336.277 3.142 20 30 EGEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000695861801 1298161922 /nfs/dbraw/zinc/16/19/22/1298161922.db2.gz BXMTZEDCMDAKMC-HKUYNNGSSA-N 2 2 329.488 3.195 20 30 EGEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000695861801 1298161933 /nfs/dbraw/zinc/16/19/33/1298161933.db2.gz BXMTZEDCMDAKMC-HKUYNNGSSA-N 2 2 329.488 3.195 20 30 EGEDLP N#CC1(CCC[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CCOCC1 ZINC000880570258 1301166380 /nfs/dbraw/zinc/16/63/80/1301166380.db2.gz VLMZYFPOIQHFJZ-LJQANCHMSA-N 2 2 338.455 3.315 20 30 EGEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCOc2ccc(Cl)cc2)cc1 ZINC000782336277 1304957014 /nfs/dbraw/zinc/95/70/14/1304957014.db2.gz BSXVDTQXNGSUQP-UHFFFAOYSA-N 2 2 347.846 3.118 20 30 EGEDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(OCC#N)cc1 ZINC000817942107 1319469831 /nfs/dbraw/zinc/46/98/31/1319469831.db2.gz MLDHSYSNCHHPSA-MGPUTAFESA-N 2 2 338.455 3.006 20 30 EGEDLP C[C@@H](C[NH2+]Cc1cc(C#N)ccc1Br)C[NH+]1CCCC1 ZINC000921551611 1322350643 /nfs/dbraw/zinc/35/06/43/1322350643.db2.gz FPMOXRNWIJAHPH-ZDUSSCGKSA-N 2 2 336.277 3.142 20 30 EGEDLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc(C#N)ccc2Br)C1 ZINC000922284203 1322491963 /nfs/dbraw/zinc/49/19/63/1322491963.db2.gz OBPGEWWEEFCWJW-CQSZACIVSA-N 2 2 336.277 3.142 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025238813 1324030943 /nfs/dbraw/zinc/03/09/43/1324030943.db2.gz WROFWXJTCMNRPS-OALUTQOASA-N 2 2 344.503 3.154 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025238813 1324030945 /nfs/dbraw/zinc/03/09/45/1324030945.db2.gz WROFWXJTCMNRPS-OALUTQOASA-N 2 2 344.503 3.154 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025238813 1324030948 /nfs/dbraw/zinc/03/09/48/1324030948.db2.gz WROFWXJTCMNRPS-OALUTQOASA-N 2 2 344.503 3.154 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025238813 1324030956 /nfs/dbraw/zinc/03/09/56/1324030956.db2.gz WROFWXJTCMNRPS-OALUTQOASA-N 2 2 344.503 3.154 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459771 1324304565 /nfs/dbraw/zinc/30/45/65/1324304565.db2.gz SEGIRHCLQIHGPO-CVEARBPZSA-N 2 2 340.471 3.359 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459771 1324304571 /nfs/dbraw/zinc/30/45/71/1324304571.db2.gz SEGIRHCLQIHGPO-CVEARBPZSA-N 2 2 340.471 3.359 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC000947450568 1333133111 /nfs/dbraw/zinc/13/31/11/1333133111.db2.gz WPGZQHLQHXVRFB-GOEBONIOSA-N 2 2 326.444 3.112 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC000947450568 1333133113 /nfs/dbraw/zinc/13/31/13/1333133113.db2.gz WPGZQHLQHXVRFB-GOEBONIOSA-N 2 2 326.444 3.112 20 30 EGEDLP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1C[NH+](C)C ZINC001017594187 1339374805 /nfs/dbraw/zinc/37/48/05/1339374805.db2.gz QBAPAVITBXOYIJ-CALCHBBNSA-N 2 2 347.528 3.065 20 30 EGEDLP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1C[NH+](C)C ZINC001017594187 1339374806 /nfs/dbraw/zinc/37/48/06/1339374806.db2.gz QBAPAVITBXOYIJ-CALCHBBNSA-N 2 2 347.528 3.065 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033833214 1342032698 /nfs/dbraw/zinc/03/26/98/1342032698.db2.gz MWXZMSHDMRCAIP-SFHVURJKSA-N 2 2 340.471 3.145 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033833214 1342032699 /nfs/dbraw/zinc/03/26/99/1342032699.db2.gz MWXZMSHDMRCAIP-SFHVURJKSA-N 2 2 340.471 3.145 20 30 EGEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034045850 1342185969 /nfs/dbraw/zinc/18/59/69/1342185969.db2.gz NXDQQKJFIVIXCF-SFHVURJKSA-N 2 2 349.906 3.037 20 30 EGEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034045850 1342185972 /nfs/dbraw/zinc/18/59/72/1342185972.db2.gz NXDQQKJFIVIXCF-SFHVURJKSA-N 2 2 349.906 3.037 20 30 EGEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001048538015 1347583391 /nfs/dbraw/zinc/58/33/91/1347583391.db2.gz IGPNEMCORISWMA-ACHSLPGTSA-N 2 2 338.455 3.112 20 30 EGEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001048538015 1347583393 /nfs/dbraw/zinc/58/33/93/1347583393.db2.gz IGPNEMCORISWMA-ACHSLPGTSA-N 2 2 338.455 3.112 20 30 EGEDLP C=CCC[N@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@@H]1C ZINC001071711784 1354870242 /nfs/dbraw/zinc/87/02/42/1354870242.db2.gz DGQQGMSMLNWVKF-FUHWJXTLSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CCC[N@@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@@H]1C ZINC001071711784 1354870250 /nfs/dbraw/zinc/87/02/50/1354870250.db2.gz DGQQGMSMLNWVKF-FUHWJXTLSA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC(C)(C)C1 ZINC001089417228 1360410764 /nfs/dbraw/zinc/41/07/64/1360410764.db2.gz WORMPUVCRFKRRD-QGZVFWFLSA-N 2 2 346.519 3.110 20 30 EGEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC(C)(C)C1 ZINC001089417228 1360410766 /nfs/dbraw/zinc/41/07/66/1360410766.db2.gz WORMPUVCRFKRRD-QGZVFWFLSA-N 2 2 346.519 3.110 20 30 EGEDLP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001089654445 1360567141 /nfs/dbraw/zinc/56/71/41/1360567141.db2.gz ZOCVIOLELAWBBJ-BRWVUGGUSA-N 2 2 344.503 3.086 20 30 EGEDLP C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001089654445 1360567145 /nfs/dbraw/zinc/56/71/45/1360567145.db2.gz ZOCVIOLELAWBBJ-BRWVUGGUSA-N 2 2 344.503 3.086 20 30 EGEDLP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001089654445 1360567147 /nfs/dbraw/zinc/56/71/47/1360567147.db2.gz ZOCVIOLELAWBBJ-BRWVUGGUSA-N 2 2 344.503 3.086 20 30 EGEDLP C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001089654445 1360567149 /nfs/dbraw/zinc/56/71/49/1360567149.db2.gz ZOCVIOLELAWBBJ-BRWVUGGUSA-N 2 2 344.503 3.086 20 30 EGEDLP C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001184905871 1387559959 /nfs/dbraw/zinc/55/99/59/1387559959.db2.gz XNFODJBYMLEDKW-RTBURBONSA-N 2 2 346.519 3.094 20 30 EGEDLP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001184905868 1387560167 /nfs/dbraw/zinc/56/01/67/1387560167.db2.gz XNFODJBYMLEDKW-MOPGFXCFSA-N 2 2 346.519 3.094 20 30 EGEDLP C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001101579673 1364632532 /nfs/dbraw/zinc/63/25/32/1364632532.db2.gz QXSBXBVJQLMLOY-KRWDZBQOSA-N 2 2 346.519 3.265 20 30 EGEDLP C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)CCC1 ZINC001105542106 1366520693 /nfs/dbraw/zinc/52/06/93/1366520693.db2.gz PPLQPDLVVCHCHM-GOSISDBHSA-N 2 2 344.503 3.059 20 30 EGEDLP C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)CCC1 ZINC001105542106 1366520696 /nfs/dbraw/zinc/52/06/96/1366520696.db2.gz PPLQPDLVVCHCHM-GOSISDBHSA-N 2 2 344.503 3.059 20 30 EGEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001109433546 1367118403 /nfs/dbraw/zinc/11/84/03/1367118403.db2.gz SGDWEHXGEAGLAN-YDZRNGNQSA-N 2 2 344.503 3.158 20 30 EGEDLP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001109433546 1367118408 /nfs/dbraw/zinc/11/84/08/1367118408.db2.gz SGDWEHXGEAGLAN-YDZRNGNQSA-N 2 2 344.503 3.158 20 30 EGEDLP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001121294739 1371925736 /nfs/dbraw/zinc/92/57/36/1371925736.db2.gz GPDDZJQFNHLQQJ-UHFFFAOYSA-N 2 2 338.455 3.160 20 30 EGEDLP C=CCCC[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001209166198 1372020704 /nfs/dbraw/zinc/02/07/04/1372020704.db2.gz XUSDYNJERCNRED-MRXNPFEDSA-N 2 2 337.508 3.016 20 30 EGEDLP C=CCCC[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001209166198 1372020705 /nfs/dbraw/zinc/02/07/05/1372020705.db2.gz XUSDYNJERCNRED-MRXNPFEDSA-N 2 2 337.508 3.016 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001210674288 1372404815 /nfs/dbraw/zinc/40/48/15/1372404815.db2.gz RARDNUNTFJDYSX-MRXNPFEDSA-N 2 2 334.508 3.238 20 30 EGEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001215132526 1373175491 /nfs/dbraw/zinc/17/54/91/1373175491.db2.gz JOMPTQAYKMUAMF-IAGOWNOFSA-N 2 2 340.471 3.131 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132221097 1375218051 /nfs/dbraw/zinc/21/80/51/1375218051.db2.gz BUKVPTVMNGYPBX-MSOLQXFVSA-N 2 2 334.508 3.213 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132221097 1375218055 /nfs/dbraw/zinc/21/80/55/1375218055.db2.gz BUKVPTVMNGYPBX-MSOLQXFVSA-N 2 2 334.508 3.213 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001132546477 1375453000 /nfs/dbraw/zinc/45/30/00/1375453000.db2.gz MJWGIMYABNHVOU-MOPGFXCFSA-N 2 2 346.519 3.379 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001132546477 1375453007 /nfs/dbraw/zinc/45/30/07/1375453007.db2.gz MJWGIMYABNHVOU-MOPGFXCFSA-N 2 2 346.519 3.379 20 30 EGEDLP C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001229932935 1375920536 /nfs/dbraw/zinc/92/05/36/1375920536.db2.gz DLOVYYFZXADJDJ-IAGOWNOFSA-N 2 2 332.492 3.024 20 30 EGEDLP CCC[N@H+](Cc1cc(Br)ccc1C#N)C1CC[NH2+]CC1 ZINC001236182635 1376940213 /nfs/dbraw/zinc/94/02/13/1376940213.db2.gz SIUICESEZOEJIO-UHFFFAOYSA-N 2 2 336.277 3.285 20 30 EGEDLP CCC[N@@H+](Cc1cc(Br)ccc1C#N)C1CC[NH2+]CC1 ZINC001236182635 1376940225 /nfs/dbraw/zinc/94/02/25/1376940225.db2.gz SIUICESEZOEJIO-UHFFFAOYSA-N 2 2 336.277 3.285 20 30 EGEDLP C[N@H+](Cc1ccc(Oc2ccc(C#N)cc2)nc1)C1CC[NH+](C)CC1 ZINC001139423649 1377881381 /nfs/dbraw/zinc/88/13/81/1377881381.db2.gz GRPWNNOAWLVHMX-UHFFFAOYSA-N 2 2 336.439 3.272 20 30 EGEDLP C[N@@H+](Cc1ccc(Oc2ccc(C#N)cc2)nc1)C1CC[NH+](C)CC1 ZINC001139423649 1377881388 /nfs/dbraw/zinc/88/13/88/1377881388.db2.gz GRPWNNOAWLVHMX-UHFFFAOYSA-N 2 2 336.439 3.272 20 30 EGEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142929883 1378511482 /nfs/dbraw/zinc/51/14/82/1378511482.db2.gz GHLFUDBFBOKATP-KRWDZBQOSA-N 2 2 332.407 3.396 20 30 EGEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142929883 1378511484 /nfs/dbraw/zinc/51/14/84/1378511484.db2.gz GHLFUDBFBOKATP-KRWDZBQOSA-N 2 2 332.407 3.396 20 30 EGEDLP C=CCCCCC[NH2+]CCCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001160528778 1382132205 /nfs/dbraw/zinc/13/22/05/1382132205.db2.gz VAPADAIQGKXCJT-SFHVURJKSA-N 2 2 334.508 3.313 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001167348329 1383606375 /nfs/dbraw/zinc/60/63/75/1383606375.db2.gz GVRCTSVYFNWZPJ-SJORKVTESA-N 2 2 332.492 3.065 20 30 EGEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(C(F)(F)F)cc(C)[nH+]1 ZINC001171068226 1384440788 /nfs/dbraw/zinc/44/07/88/1384440788.db2.gz JVGZRDZNDDEDIB-ZDUSSCGKSA-N 2 2 345.365 3.048 20 30 EGEDLP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001171408941 1384514253 /nfs/dbraw/zinc/51/42/53/1384514253.db2.gz LDXIUCHEQZPDMD-ROUUACIJSA-N 2 2 334.508 3.311 20 30 EGEDLP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001175207690 1385220359 /nfs/dbraw/zinc/22/03/59/1385220359.db2.gz ANSGAXYSMPVMQB-HZPDHXFCSA-N 2 2 332.492 3.060 20 30 EGEDLP C=CCCC[NH2+]CCCCCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001178808485 1386312399 /nfs/dbraw/zinc/31/23/99/1386312399.db2.gz KNXYYJVNCLMYKJ-UHFFFAOYSA-N 2 2 334.508 3.159 20 30 EGEDLP C=CCCCCC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H]1C ZINC001179141788 1386409563 /nfs/dbraw/zinc/40/95/63/1386409563.db2.gz NEGHKJWXETULQD-IRXDYDNUSA-N 2 2 340.471 3.273 20 30 EGEDLP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001179558359 1386514418 /nfs/dbraw/zinc/51/44/18/1386514418.db2.gz UADDNWMCSYWJCK-MRXNPFEDSA-N 2 2 332.492 3.062 20 30 EGEDLP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H]1C ZINC001179688795 1386554517 /nfs/dbraw/zinc/55/45/17/1386554517.db2.gz JTZSVGDTQUENMP-BQFCYCMXSA-N 2 2 334.508 3.138 20 30 EGEDLP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179688795 1386554521 /nfs/dbraw/zinc/55/45/21/1386554521.db2.gz JTZSVGDTQUENMP-BQFCYCMXSA-N 2 2 334.508 3.138 20 30 EGEDLP C[NH+](C)C1(C[NH2+]C2CC(C#N)(c3ccccc3)C2)Cc2ccccc2C1 ZINC001320562979 1386651189 /nfs/dbraw/zinc/65/11/89/1386651189.db2.gz TVKKITGSOYHNPW-UHFFFAOYSA-N 2 2 345.490 3.299 20 30 EGEDLP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001715563947 1420254773 /nfs/dbraw/zinc/25/47/73/1420254773.db2.gz HQVGANVFJSGOPQ-JKSUJKDBSA-N 2 2 335.879 3.247 20 30 EGEDLP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001753348999 1440377017 /nfs/dbraw/zinc/37/70/17/1440377017.db2.gz GZFPBLGOPSAIBE-KRWDZBQOSA-N 2 2 340.471 3.003 20 30 EGEDLP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001753348999 1440377018 /nfs/dbraw/zinc/37/70/18/1440377018.db2.gz GZFPBLGOPSAIBE-KRWDZBQOSA-N 2 2 340.471 3.003 20 30 EGEDLP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001754953628 1440715831 /nfs/dbraw/zinc/71/58/31/1440715831.db2.gz JUHHERDGJXLGPS-CTYIDZIISA-N 2 2 346.862 3.194 20 30 EGEDLP C=CCCC[NH+]1CCC([C@H](C)NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001755848684 1440934224 /nfs/dbraw/zinc/93/42/24/1440934224.db2.gz XDWLOBCXNGVPML-INIZCTEOSA-N 2 2 340.471 3.131 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCC[C@H]3CCCCO3)CC2)cc1 ZINC000184001079 235283002 /nfs/dbraw/zinc/28/30/02/235283002.db2.gz OTNGFQMRXDNSMQ-OAQYLSRUSA-N 2 2 341.499 3.462 20 30 EGEDLP Cn1cc(C[NH+]2CCC([NH+]3CCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000095995480 162042607 /nfs/dbraw/zinc/04/26/07/162042607.db2.gz PZLUCPUJEAJYRM-UHFFFAOYSA-N 2 2 349.482 3.019 20 30 EGEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(C#N)ccc3Br)CC[C@H]21 ZINC000249089261 163055827 /nfs/dbraw/zinc/05/58/27/163055827.db2.gz SMZDEEYEDUZPSN-RHSMWYFYSA-N 2 2 348.288 3.237 20 30 EGEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(C#N)ccc3Br)CC[C@H]21 ZINC000249089261 163055830 /nfs/dbraw/zinc/05/58/30/163055830.db2.gz SMZDEEYEDUZPSN-RHSMWYFYSA-N 2 2 348.288 3.237 20 30 EGEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(C#N)ccc3Br)CC[C@H]21 ZINC000249089261 163055831 /nfs/dbraw/zinc/05/58/31/163055831.db2.gz SMZDEEYEDUZPSN-RHSMWYFYSA-N 2 2 348.288 3.237 20 30 EGEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3Br)CC[C@H]21 ZINC000249089261 163055833 /nfs/dbraw/zinc/05/58/33/163055833.db2.gz SMZDEEYEDUZPSN-RHSMWYFYSA-N 2 2 348.288 3.237 20 30 EGEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3cc(Cl)ccc3C#N)CC2)CC1 ZINC000433535353 266917738 /nfs/dbraw/zinc/91/77/38/266917738.db2.gz VHGNWCPRJDCPGE-UHFFFAOYSA-N 2 2 346.906 3.206 20 30 EGEDLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)s1 ZINC000418141128 267284433 /nfs/dbraw/zinc/28/44/33/267284433.db2.gz GIJMAWCHEGDHEB-KRWDZBQOSA-N 2 2 326.469 3.244 20 30 EGEDLP Cc1ccc(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000181736452 455376854 /nfs/dbraw/zinc/37/68/54/455376854.db2.gz VRIWKZGKEOUYAK-UHFFFAOYSA-N 2 2 334.467 3.058 20 30 EGEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000072725831 454333581 /nfs/dbraw/zinc/33/35/81/454333581.db2.gz SBBCGKVNGNDUMN-LJQANCHMSA-N 2 2 337.471 3.038 20 30 EGEDLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000072725831 454333585 /nfs/dbraw/zinc/33/35/85/454333585.db2.gz SBBCGKVNGNDUMN-LJQANCHMSA-N 2 2 337.471 3.038 20 30 EGEDLP Cc1noc(C)c1CO[NH+]=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000102653984 454515240 /nfs/dbraw/zinc/51/52/40/454515240.db2.gz HGXVMBPSXBPUSQ-UHFFFAOYSA-N 2 2 342.443 3.114 20 30 EGEDLP C=CCc1cc(C[NH+]2CC[C@@H](C[N@@H+](C)CCC)C2)cc(OC)c1O ZINC000093742113 454731202 /nfs/dbraw/zinc/73/12/02/454731202.db2.gz BRZFHURYWZDQCH-INIZCTEOSA-N 2 2 332.488 3.293 20 30 EGEDLP C=CCc1cc(C[NH+]2CC[C@@H](C[N@H+](C)CCC)C2)cc(OC)c1O ZINC000093742113 454731209 /nfs/dbraw/zinc/73/12/09/454731209.db2.gz BRZFHURYWZDQCH-INIZCTEOSA-N 2 2 332.488 3.293 20 30 EGEDLP C=CCc1cc(C[N@H+]2CC[C@@H](C[NH+](C)CCC)C2)cc(OC)c1O ZINC000093742113 454731215 /nfs/dbraw/zinc/73/12/15/454731215.db2.gz BRZFHURYWZDQCH-INIZCTEOSA-N 2 2 332.488 3.293 20 30 EGEDLP C=CCc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)CCC)C2)cc(OC)c1O ZINC000093742113 454731217 /nfs/dbraw/zinc/73/12/17/454731217.db2.gz BRZFHURYWZDQCH-INIZCTEOSA-N 2 2 332.488 3.293 20 30 EGEDLP C[N@@H+](Cc1cc(C#N)ccc1Br)C[C@H]1CCC[NH+](C)C1 ZINC000191794227 455519823 /nfs/dbraw/zinc/51/98/23/455519823.db2.gz MWLFTWLHNDNPBS-AWEZNQCLSA-N 2 2 336.277 3.094 20 30 EGEDLP C[N@H+](Cc1cc(C#N)ccc1Br)C[C@H]1CCC[NH+](C)C1 ZINC000191794227 455519826 /nfs/dbraw/zinc/51/98/26/455519826.db2.gz MWLFTWLHNDNPBS-AWEZNQCLSA-N 2 2 336.277 3.094 20 30 EGEDLP C[NH+](Cc1cc(C#N)ccc1Br)C[C@H]1CCC[N@H+](C)C1 ZINC000191794227 455519829 /nfs/dbraw/zinc/51/98/29/455519829.db2.gz MWLFTWLHNDNPBS-AWEZNQCLSA-N 2 2 336.277 3.094 20 30 EGEDLP C[NH+](Cc1cc(C#N)ccc1Br)C[C@H]1CCC[N@@H+](C)C1 ZINC000191794227 455519831 /nfs/dbraw/zinc/51/98/31/455519831.db2.gz MWLFTWLHNDNPBS-AWEZNQCLSA-N 2 2 336.277 3.094 20 30 EGEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000247572105 455627422 /nfs/dbraw/zinc/62/74/22/455627422.db2.gz LLPRHIMDKIQQNC-BEFAXECRSA-N 2 2 340.471 3.253 20 30 EGEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000247572105 455627426 /nfs/dbraw/zinc/62/74/26/455627426.db2.gz LLPRHIMDKIQQNC-BEFAXECRSA-N 2 2 340.471 3.253 20 30 EGEDLP Cc1cnc([C@H](C)[NH2+]CC#CC[NH2+][C@@H](C)c2ncc(C)s2)s1 ZINC000284186714 455647804 /nfs/dbraw/zinc/64/78/04/455647804.db2.gz RQVZIUFZYDNNND-KBPBESRZSA-N 2 2 334.514 3.221 20 30 EGEDLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(C#N)cc1 ZINC000271855796 455787995 /nfs/dbraw/zinc/78/79/95/455787995.db2.gz JGJMSQDFEDNUDG-WTOYTKOKSA-N 2 2 349.478 3.092 20 30 EGEDLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(C#N)cc1 ZINC000271855796 455788001 /nfs/dbraw/zinc/78/80/01/455788001.db2.gz JGJMSQDFEDNUDG-WTOYTKOKSA-N 2 2 349.478 3.092 20 30 EGEDLP Cc1c[nH+]ccc1CCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000269941853 455854634 /nfs/dbraw/zinc/85/46/34/455854634.db2.gz GTCDHBNEOGVDLH-UHFFFAOYSA-N 2 2 338.333 3.258 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272700887 456044433 /nfs/dbraw/zinc/04/44/33/456044433.db2.gz YOXNPDGKLOUXLL-UYAOXDASSA-N 3 2 327.516 3.137 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272700887 456044437 /nfs/dbraw/zinc/04/44/37/456044437.db2.gz YOXNPDGKLOUXLL-UYAOXDASSA-N 3 2 327.516 3.137 20 30 EGEDLP Cc1cccc(CCC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000287315946 456066540 /nfs/dbraw/zinc/06/65/40/456066540.db2.gz FGZMYNABDRSBPT-UHFFFAOYSA-N 2 2 348.494 3.449 20 30 EGEDLP C=CC[NH+]1CCC(Nc2c(C(=O)OCC)c[nH+]c3ccccc32)CC1 ZINC000301412569 456110404 /nfs/dbraw/zinc/11/04/04/456110404.db2.gz ZATIQLQYORDWAZ-UHFFFAOYSA-N 2 2 339.439 3.474 20 30 EGEDLP Cc1ncsc1CO[NH+]=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000289450669 456125299 /nfs/dbraw/zinc/12/52/99/456125299.db2.gz UVGOZKMHCVBDFZ-UHFFFAOYSA-N 2 2 344.484 3.275 20 30 EGEDLP C=C(C)C[NH+]1CCC(Nc2[nH+]cnc3c2cnn3C(C)(C)C)CC1 ZINC000301904682 456246853 /nfs/dbraw/zinc/24/68/53/456246853.db2.gz YENUPJBDXNWKLB-UHFFFAOYSA-N 2 2 328.464 3.034 20 30 EGEDLP CCc1cccc(CC)c1NC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000303771198 456484826 /nfs/dbraw/zinc/48/48/26/456484826.db2.gz CMQTVGHXGGUOHP-UHFFFAOYSA-N 2 2 348.454 3.319 20 30 EGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000303541218 456467256 /nfs/dbraw/zinc/46/72/56/456467256.db2.gz GDYTYGHVZFQIOM-AABGKKOBSA-N 2 2 349.563 3.386 20 30 EGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000303541218 456467261 /nfs/dbraw/zinc/46/72/61/456467261.db2.gz GDYTYGHVZFQIOM-AABGKKOBSA-N 2 2 349.563 3.386 20 30 EGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000303541218 456467265 /nfs/dbraw/zinc/46/72/65/456467265.db2.gz GDYTYGHVZFQIOM-AABGKKOBSA-N 2 2 349.563 3.386 20 30 EGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000303541218 456467269 /nfs/dbraw/zinc/46/72/69/456467269.db2.gz GDYTYGHVZFQIOM-AABGKKOBSA-N 2 2 349.563 3.386 20 30 EGEDLP C(#Cc1ccccc1)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000311201677 456587834 /nfs/dbraw/zinc/58/78/34/456587834.db2.gz HZDATQKBSJARRB-GOTSBHOMSA-N 2 2 330.475 3.492 20 30 EGEDLP C(#Cc1ccccc1)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000311201677 456587838 /nfs/dbraw/zinc/58/78/38/456587838.db2.gz HZDATQKBSJARRB-GOTSBHOMSA-N 2 2 330.475 3.492 20 30 EGEDLP C(#Cc1ccccc1)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000311201677 456587844 /nfs/dbraw/zinc/58/78/44/456587844.db2.gz HZDATQKBSJARRB-GOTSBHOMSA-N 2 2 330.475 3.492 20 30 EGEDLP C(#Cc1ccccc1)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000311201677 456587847 /nfs/dbraw/zinc/58/78/47/456587847.db2.gz HZDATQKBSJARRB-GOTSBHOMSA-N 2 2 330.475 3.492 20 30 EGEDLP COc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1C#N ZINC000348329756 456628266 /nfs/dbraw/zinc/62/82/66/456628266.db2.gz WCCZAELSHPYZBQ-OYRHEFFESA-N 2 2 347.462 3.131 20 30 EGEDLP COc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1C#N ZINC000348329756 456628271 /nfs/dbraw/zinc/62/82/71/456628271.db2.gz WCCZAELSHPYZBQ-OYRHEFFESA-N 2 2 347.462 3.131 20 30 EGEDLP COc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1C#N ZINC000348329756 456628277 /nfs/dbraw/zinc/62/82/77/456628277.db2.gz WCCZAELSHPYZBQ-OYRHEFFESA-N 2 2 347.462 3.131 20 30 EGEDLP COc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1C#N ZINC000348329756 456628283 /nfs/dbraw/zinc/62/82/83/456628283.db2.gz WCCZAELSHPYZBQ-OYRHEFFESA-N 2 2 347.462 3.131 20 30 EGEDLP O=C(Nc1ccn2cc[nH+]c2c1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000329443813 456891352 /nfs/dbraw/zinc/89/13/52/456891352.db2.gz CALDWUSXRLZCKP-UHFFFAOYSA-N 2 2 341.459 3.078 20 30 EGEDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C1CCN(c3ccc(C#N)cc3)CC1)CCC2 ZINC000375839288 458088728 /nfs/dbraw/zinc/08/87/28/458088728.db2.gz MCQSLSSCIUNBCN-GOSISDBHSA-N 2 2 349.482 3.199 20 30 EGEDLP C=CCOCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000549688865 458882931 /nfs/dbraw/zinc/88/29/31/458882931.db2.gz QWZBVUSSYJCXOE-FCHUYYIVSA-N 2 2 336.479 3.447 20 30 EGEDLP C=CCOCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000549688865 458882937 /nfs/dbraw/zinc/88/29/37/458882937.db2.gz QWZBVUSSYJCXOE-FCHUYYIVSA-N 2 2 336.479 3.447 20 30 EGEDLP N#Cc1ccc(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000594955036 459192625 /nfs/dbraw/zinc/19/26/25/459192625.db2.gz LFCDNBXXECCKRL-UHFFFAOYSA-N 2 2 325.378 3.107 20 30 EGEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595102096 459245949 /nfs/dbraw/zinc/24/59/49/459245949.db2.gz JMMBBVJMFKFUAR-FPOVZHCZSA-N 2 2 339.483 3.169 20 30 EGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)c1cc2n(n1)CCC2 ZINC000593724262 459964442 /nfs/dbraw/zinc/96/44/42/459964442.db2.gz BTLVVSLRANZYMW-INIZCTEOSA-N 2 2 349.482 3.016 20 30 EGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]CC3CCSCC3)CC2)c1 ZINC000602708840 460078309 /nfs/dbraw/zinc/07/83/09/460078309.db2.gz YIXYFBIAABTNPT-UHFFFAOYSA-N 2 2 329.513 3.255 20 30 EGEDLP N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000618804465 460183141 /nfs/dbraw/zinc/18/31/41/460183141.db2.gz AIMGRDGRYPXQOO-OAQYLSRUSA-N 2 2 332.451 3.195 20 30 EGEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(Br)c1 ZINC000181118549 534782162 /nfs/dbraw/zinc/78/21/62/534782162.db2.gz MTBLEGFPEDUITH-HNNXBMFYSA-N 2 2 348.288 3.238 20 30 EGEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(Br)c1 ZINC000181118549 534782165 /nfs/dbraw/zinc/78/21/65/534782165.db2.gz MTBLEGFPEDUITH-HNNXBMFYSA-N 2 2 348.288 3.238 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2nnn(-c3ccc(F)cc3)c2C)CC1 ZINC000177909628 526454297 /nfs/dbraw/zinc/45/42/97/526454297.db2.gz KEELTKAFQRNEFC-CQSZACIVSA-N 2 2 343.450 3.016 20 30 EGEDLP CCCC(O)(CCC)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181778978 528017490 /nfs/dbraw/zinc/01/74/90/528017490.db2.gz DCIFEALTLYCOJK-UHFFFAOYSA-N 2 2 343.515 3.444 20 30 EGEDLP C[NH+]=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCc2ccccc21 ZINC000103903361 1293017380 /nfs/dbraw/zinc/01/73/80/1293017380.db2.gz HGFKUCVCSUTNDB-GOSISDBHSA-N 2 2 338.455 3.055 20 30 EGEDLP COc1cccc([C@@H](CNC(=[NH2+])Nc2ccc(C)cc2)[NH+](C)C)c1 ZINC000104155431 1293018906 /nfs/dbraw/zinc/01/89/06/1293018906.db2.gz VCJHOILWZAHERI-GOSISDBHSA-N 2 2 326.444 3.033 20 30 EGEDLP CCc1ccc(NC(=[NH2+])NCC2([NH+]3CCOCC3)CCCCC2)cc1 ZINC000303779901 1296852881 /nfs/dbraw/zinc/85/28/81/1296852881.db2.gz KYJFXIPRTHKZIP-UHFFFAOYSA-N 2 2 344.503 3.011 20 30 EGEDLP C#CCOc1cccc(Cl)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000779164513 1304536684 /nfs/dbraw/zinc/53/66/84/1304536684.db2.gz SWOGCEBTSXSBSS-YJBOKZPZSA-N 2 2 332.875 3.268 20 30 EGEDLP C#CCOc1cccc(Cl)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000779164513 1304536686 /nfs/dbraw/zinc/53/66/86/1304536686.db2.gz SWOGCEBTSXSBSS-YJBOKZPZSA-N 2 2 332.875 3.268 20 30 EGEDLP C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000779164513 1304536688 /nfs/dbraw/zinc/53/66/88/1304536688.db2.gz SWOGCEBTSXSBSS-YJBOKZPZSA-N 2 2 332.875 3.268 20 30 EGEDLP C#CCOc1cccc(Cl)c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000779164513 1304536691 /nfs/dbraw/zinc/53/66/91/1304536691.db2.gz SWOGCEBTSXSBSS-YJBOKZPZSA-N 2 2 332.875 3.268 20 30 EGEDLP C=CCCCCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000797083013 1310137055 /nfs/dbraw/zinc/13/70/55/1310137055.db2.gz MCVXDMGRAGDVBA-MVCQKVDPSA-N 2 2 335.536 3.185 20 30 EGEDLP C=CCCCCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000797083013 1310137063 /nfs/dbraw/zinc/13/70/63/1310137063.db2.gz MCVXDMGRAGDVBA-MVCQKVDPSA-N 2 2 335.536 3.185 20 30 EGEDLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cc(C#N)ccc2Br)C1 ZINC000921817184 1322403990 /nfs/dbraw/zinc/40/39/90/1322403990.db2.gz JBDAXSNMZYSDGR-LSDHHAIUSA-N 2 2 336.277 3.283 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000963314243 1325098239 /nfs/dbraw/zinc/09/82/39/1325098239.db2.gz KAFLLRHBJWWFPT-HKUYNNGSSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000963314243 1325098246 /nfs/dbraw/zinc/09/82/46/1325098246.db2.gz KAFLLRHBJWWFPT-HKUYNNGSSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000963314243 1325098253 /nfs/dbraw/zinc/09/82/53/1325098253.db2.gz KAFLLRHBJWWFPT-HKUYNNGSSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000963314243 1325098261 /nfs/dbraw/zinc/09/82/61/1325098261.db2.gz KAFLLRHBJWWFPT-HKUYNNGSSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948552659 1333571235 /nfs/dbraw/zinc/57/12/35/1333571235.db2.gz AENSMEQTCSTIAF-MRXNPFEDSA-N 2 2 326.444 3.066 20 30 EGEDLP C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948552659 1333571239 /nfs/dbraw/zinc/57/12/39/1333571239.db2.gz AENSMEQTCSTIAF-MRXNPFEDSA-N 2 2 326.444 3.066 20 30 EGEDLP C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053080147 1348901570 /nfs/dbraw/zinc/90/15/70/1348901570.db2.gz AUQCMUBFSDTDCA-ZWKOTPCHSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053080147 1348901572 /nfs/dbraw/zinc/90/15/72/1348901572.db2.gz AUQCMUBFSDTDCA-ZWKOTPCHSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC001072095060 1355126803 /nfs/dbraw/zinc/12/68/03/1355126803.db2.gz FWPDEMIJDBLSQS-MAUKXSAKSA-N 2 2 349.906 3.083 20 30 EGEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC001072095060 1355126804 /nfs/dbraw/zinc/12/68/04/1355126804.db2.gz FWPDEMIJDBLSQS-MAUKXSAKSA-N 2 2 349.906 3.083 20 30 EGEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC001072095061 1355126827 /nfs/dbraw/zinc/12/68/27/1355126827.db2.gz FWPDEMIJDBLSQS-QAPCUYQASA-N 2 2 349.906 3.083 20 30 EGEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC001072095061 1355126829 /nfs/dbraw/zinc/12/68/29/1355126829.db2.gz FWPDEMIJDBLSQS-QAPCUYQASA-N 2 2 349.906 3.083 20 30 EGEDLP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001086945963 1359266857 /nfs/dbraw/zinc/26/68/57/1359266857.db2.gz MILLCTOYDJMMOZ-MSOLQXFVSA-N 2 2 344.503 3.113 20 30 EGEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089488907 1360468441 /nfs/dbraw/zinc/46/84/41/1360468441.db2.gz ZVUHPHRPFBDIPU-CVEARBPZSA-N 2 2 344.503 3.013 20 30 EGEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089488907 1360468445 /nfs/dbraw/zinc/46/84/45/1360468445.db2.gz ZVUHPHRPFBDIPU-CVEARBPZSA-N 2 2 344.503 3.013 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102415214 1365045804 /nfs/dbraw/zinc/04/58/04/1365045804.db2.gz ZEKOSIOTZTZJHE-CEXWTWQISA-N 2 2 346.519 3.265 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102415214 1365045806 /nfs/dbraw/zinc/04/58/06/1365045806.db2.gz ZEKOSIOTZTZJHE-CEXWTWQISA-N 2 2 346.519 3.265 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001105096892 1366325089 /nfs/dbraw/zinc/32/50/89/1366325089.db2.gz BVFUXJHYROZTAN-CEXWTWQISA-N 2 2 346.519 3.092 20 30 EGEDLP C=C(C)CC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001105570341 1366537830 /nfs/dbraw/zinc/53/78/30/1366537830.db2.gz NMOPQWZNOJTYJF-KRWDZBQOSA-N 2 2 344.503 3.059 20 30 EGEDLP CCCCCCC[N@@H+]1CC[C@@]2(CNC(=O)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107561512 1367044534 /nfs/dbraw/zinc/04/45/34/1367044534.db2.gz NTHBFAMDFRARTE-UYAOXDASSA-N 2 2 346.519 3.283 20 30 EGEDLP CCCCCCC[N@H+]1CC[C@@]2(CNC(=O)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107561512 1367044536 /nfs/dbraw/zinc/04/45/36/1367044536.db2.gz NTHBFAMDFRARTE-UYAOXDASSA-N 2 2 346.519 3.283 20 30 EGEDLP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196242117 1368574153 /nfs/dbraw/zinc/57/41/53/1368574153.db2.gz BPGSBLNRXRWGII-OALUTQOASA-N 2 2 346.519 3.359 20 30 EGEDLP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196242117 1368574161 /nfs/dbraw/zinc/57/41/61/1368574161.db2.gz BPGSBLNRXRWGII-OALUTQOASA-N 2 2 346.519 3.359 20 30 EGEDLP C=CCCCCC[NH+]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001112995180 1369127799 /nfs/dbraw/zinc/12/77/99/1369127799.db2.gz WEBWYVWFEIVIOJ-LJQANCHMSA-N 2 2 346.519 3.361 20 30 EGEDLP C=CCCCCC[NH2+]C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001203337612 1370088178 /nfs/dbraw/zinc/08/81/78/1370088178.db2.gz NKFWQEHMGYIAKO-UHFFFAOYSA-N 2 2 332.492 3.014 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001206427561 1371051739 /nfs/dbraw/zinc/05/17/39/1371051739.db2.gz IXSXRDKWQPIJHA-SJORKVTESA-N 2 2 332.492 3.017 20 30 EGEDLP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001226251600 1375226974 /nfs/dbraw/zinc/22/69/74/1375226974.db2.gz VJAQJCXPWIMRAJ-QZTJIDSGSA-N 2 2 340.471 3.240 20 30 EGEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001132874429 1375615533 /nfs/dbraw/zinc/61/55/33/1375615533.db2.gz HYZUOHZXHIGVOY-ZWKOTPCHSA-N 2 2 346.519 3.163 20 30 EGEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001132874429 1375615535 /nfs/dbraw/zinc/61/55/35/1375615535.db2.gz HYZUOHZXHIGVOY-ZWKOTPCHSA-N 2 2 346.519 3.163 20 30 EGEDLP C=CCC(C)(C)C(=O)N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001268985293 1377535460 /nfs/dbraw/zinc/53/54/60/1377535460.db2.gz LFLKJDGCRJEDFY-UXHICEINSA-N 2 2 344.503 3.037 20 30 EGEDLP C=CCn1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001139771241 1377948643 /nfs/dbraw/zinc/94/86/43/1377948643.db2.gz UJEOWFADBMFQDK-LEWJYISDSA-N 2 2 336.483 3.023 20 30 EGEDLP C=CCn1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001139771241 1377948649 /nfs/dbraw/zinc/94/86/49/1377948649.db2.gz UJEOWFADBMFQDK-LEWJYISDSA-N 2 2 336.483 3.023 20 30 EGEDLP C=CCn1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001139771241 1377948651 /nfs/dbraw/zinc/94/86/51/1377948651.db2.gz UJEOWFADBMFQDK-LEWJYISDSA-N 2 2 336.483 3.023 20 30 EGEDLP C=CCn1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001139771241 1377948657 /nfs/dbraw/zinc/94/86/57/1377948657.db2.gz UJEOWFADBMFQDK-LEWJYISDSA-N 2 2 336.483 3.023 20 30 EGEDLP C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001154066099 1380197111 /nfs/dbraw/zinc/19/71/11/1380197111.db2.gz LULMJHOLIFJAJB-QZTJIDSGSA-N 2 2 346.519 3.019 20 30 EGEDLP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001154066099 1380197114 /nfs/dbraw/zinc/19/71/14/1380197114.db2.gz LULMJHOLIFJAJB-QZTJIDSGSA-N 2 2 346.519 3.019 20 30 EGEDLP C=C(C)CC[NH2+]CC1(CCNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001164540947 1383197712 /nfs/dbraw/zinc/19/77/12/1383197712.db2.gz SHUMYXPVSCXTPW-UHFFFAOYSA-N 2 2 340.471 3.099 20 30 EGEDLP CCCCCCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001165593334 1383314134 /nfs/dbraw/zinc/31/41/34/1383314134.db2.gz KFFYDWAKSLTNRC-IAGOWNOFSA-N 2 2 346.519 3.360 20 30 EGEDLP CCCCCCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001165593334 1383314138 /nfs/dbraw/zinc/31/41/38/1383314138.db2.gz KFFYDWAKSLTNRC-IAGOWNOFSA-N 2 2 346.519 3.360 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001167348328 1383606279 /nfs/dbraw/zinc/60/62/79/1383606279.db2.gz GVRCTSVYFNWZPJ-IRXDYDNUSA-N 2 2 332.492 3.065 20 30 EGEDLP C[C@@H](Cc1cccc(C#N)c1)N(c1cc[nH+]cc1F)C1CC[NH2+]CC1 ZINC001171231490 1384475520 /nfs/dbraw/zinc/47/55/20/1384475520.db2.gz KCJMCQQWLHNNPT-HNNXBMFYSA-N 2 2 338.430 3.282 20 30 EGEDLP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171525443 1384551368 /nfs/dbraw/zinc/55/13/68/1384551368.db2.gz CWKPNXJOJUHWPG-CYBMUJFWSA-N 2 2 334.851 3.194 20 30 EGEDLP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001171784626 1384635385 /nfs/dbraw/zinc/63/53/85/1384635385.db2.gz REIYAPGENHRIHA-MRXNPFEDSA-N 2 2 328.460 3.179 20 30 EGEDLP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001172297132 1384763013 /nfs/dbraw/zinc/76/30/13/1384763013.db2.gz BFGHRDUHEXTIOU-KRWDZBQOSA-N 2 2 349.478 3.449 20 30 EGEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001175704269 1385378627 /nfs/dbraw/zinc/37/86/27/1385378627.db2.gz UMMRHSMXXVVOAM-QGZVFWFLSA-N 2 2 342.487 3.026 20 30 EGEDLP C=CCCCCC[NH2+]CCCCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001178649736 1386268813 /nfs/dbraw/zinc/26/88/13/1386268813.db2.gz XGPHFWLHPRWRFL-UHFFFAOYSA-N 2 2 334.508 3.355 20 30 EGEDLP C=CCCCCC[NH2+]CCCCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001178649736 1386268818 /nfs/dbraw/zinc/26/88/18/1386268818.db2.gz XGPHFWLHPRWRFL-UHFFFAOYSA-N 2 2 334.508 3.355 20 30 EGEDLP C=CCCCCC[NH2+]C[C@]1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001181278252 1386971138 /nfs/dbraw/zinc/97/11/38/1386971138.db2.gz CSJZMNDOZLLJQQ-YLJYHZDGSA-N 2 2 346.519 3.163 20 30 EGEDLP C=C(Cl)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715386004 1420082942 /nfs/dbraw/zinc/08/29/42/1420082942.db2.gz KGKDZDUVURDISE-YVEFUNNKSA-N 2 2 346.862 3.146 20 30 EGEDLP CCCCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001753444809 1440403322 /nfs/dbraw/zinc/40/33/22/1440403322.db2.gz YHAKFAWURRMDOR-RCCFBDPRSA-N 2 2 346.519 3.027 20 30 EGEDLP CCCCCCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001753444809 1440403323 /nfs/dbraw/zinc/40/33/23/1440403323.db2.gz YHAKFAWURRMDOR-RCCFBDPRSA-N 2 2 346.519 3.027 20 30 EGEDLP C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001753853141 1440507796 /nfs/dbraw/zinc/50/77/96/1440507796.db2.gz MYHJXHKTVPSISX-HNNXBMFYSA-N 2 2 328.460 3.001 20 30 EGEDLP C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001753853141 1440507797 /nfs/dbraw/zinc/50/77/97/1440507797.db2.gz MYHJXHKTVPSISX-HNNXBMFYSA-N 2 2 328.460 3.001 20 30 EGEDLP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001754542869 1440626535 /nfs/dbraw/zinc/62/65/35/1440626535.db2.gz IACWMUQKIHMSDU-CEXWTWQISA-N 2 2 344.503 3.112 20 30 EGEDLP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001754542869 1440626536 /nfs/dbraw/zinc/62/65/36/1440626536.db2.gz IACWMUQKIHMSDU-CEXWTWQISA-N 2 2 344.503 3.112 20 30 EGEDLP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001754627226 1440646634 /nfs/dbraw/zinc/64/66/34/1440646634.db2.gz GITHLUQPTRHSJR-KRWDZBQOSA-N 2 2 332.492 3.017 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001755142240 1440761136 /nfs/dbraw/zinc/76/11/36/1440761136.db2.gz OVQNZLSNJKJJAK-SJORKVTESA-N 2 2 332.492 3.017 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001755142240 1440761137 /nfs/dbraw/zinc/76/11/37/1440761137.db2.gz OVQNZLSNJKJJAK-SJORKVTESA-N 2 2 332.492 3.017 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCCSC3)CC2)cc1 ZINC000286999208 268065757 /nfs/dbraw/zinc/06/57/57/268065757.db2.gz JZJXNDAXTZLNFL-SFHVURJKSA-N 2 2 329.513 3.255 20 30 EGEDLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000565154907 316276808 /nfs/dbraw/zinc/27/68/08/316276808.db2.gz CVFZKMTXMIRQMR-HRAATJIYSA-N 2 2 337.467 3.188 20 30 EGEDLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000565154907 316276812 /nfs/dbraw/zinc/27/68/12/316276812.db2.gz CVFZKMTXMIRQMR-HRAATJIYSA-N 2 2 337.467 3.188 20 30 EGEDLP Cc1cc(N2CC[NH+](Cc3cccc(C#N)c3)CC2)nc(C(C)C)[nH+]1 ZINC000029631933 453830518 /nfs/dbraw/zinc/83/05/18/453830518.db2.gz FXJAUYZRNQZRFJ-UHFFFAOYSA-N 2 2 335.455 3.102 20 30 EGEDLP C=CCc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc(OC)c1O ZINC000093683536 454728866 /nfs/dbraw/zinc/72/88/66/454728866.db2.gz OGJQVQOTDOFLMI-KRWDZBQOSA-N 2 2 344.499 3.437 20 30 EGEDLP C=CCc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc(OC)c1O ZINC000093683536 454728872 /nfs/dbraw/zinc/72/88/72/454728872.db2.gz OGJQVQOTDOFLMI-KRWDZBQOSA-N 2 2 344.499 3.437 20 30 EGEDLP C=CCc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc(OC)c1O ZINC000093865890 454740498 /nfs/dbraw/zinc/74/04/98/454740498.db2.gz UWVSNAGOKJUTTQ-SFHVURJKSA-N 2 2 340.423 3.178 20 30 EGEDLP C=CCc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc(OC)c1O ZINC000093865890 454740500 /nfs/dbraw/zinc/74/05/00/454740500.db2.gz UWVSNAGOKJUTTQ-SFHVURJKSA-N 2 2 340.423 3.178 20 30 EGEDLP Cc1cccc(OCC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000181587212 455358891 /nfs/dbraw/zinc/35/88/91/455358891.db2.gz MYSCMOMTRJQWHE-UHFFFAOYSA-N 2 2 349.478 3.500 20 30 EGEDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000268124583 455595364 /nfs/dbraw/zinc/59/53/64/455595364.db2.gz NMXTYIGLFQJDEP-OXJNMPFZSA-N 2 2 349.482 3.036 20 30 EGEDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000268124583 455595368 /nfs/dbraw/zinc/59/53/68/455595368.db2.gz NMXTYIGLFQJDEP-OXJNMPFZSA-N 2 2 349.482 3.036 20 30 EGEDLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185731058 455609204 /nfs/dbraw/zinc/60/92/04/455609204.db2.gz QNWPVPAVIHETJT-IRXDYDNUSA-N 2 2 342.487 3.331 20 30 EGEDLP CN(C)c1ccccc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271899288 455798607 /nfs/dbraw/zinc/79/86/07/455798607.db2.gz VBPTVJSXYYOLGA-UHFFFAOYSA-N 2 2 348.494 3.378 20 30 EGEDLP Cc1c[nH+]ccc1CCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000269991831 455855212 /nfs/dbraw/zinc/85/52/12/455855212.db2.gz VAFFBWCTKRBWSK-UHFFFAOYSA-N 2 2 336.361 3.056 20 30 EGEDLP C[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000285885250 455936119 /nfs/dbraw/zinc/93/61/19/455936119.db2.gz ZSVBGXRTCWSQOT-ROUUACIJSA-N 2 2 340.515 3.237 20 30 EGEDLP C[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000285885250 455936123 /nfs/dbraw/zinc/93/61/23/455936123.db2.gz ZSVBGXRTCWSQOT-ROUUACIJSA-N 2 2 340.515 3.237 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)Cc2ccc(OC)c(OC)c2C)CC1 ZINC000286052873 455968837 /nfs/dbraw/zinc/96/88/37/455968837.db2.gz LAZGJMUKKJWHOC-OAHLLOKOSA-N 2 2 332.488 3.183 20 30 EGEDLP C[NH+](C)[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)c1cccs1 ZINC000262391170 456031751 /nfs/dbraw/zinc/03/17/51/456031751.db2.gz YUFFNQJMDCWTON-INIZCTEOSA-N 2 2 328.485 3.266 20 30 EGEDLP Cc1ncsc1CO[NH+]=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000289448937 456125953 /nfs/dbraw/zinc/12/59/53/456125953.db2.gz UPFGUMVVQSAHBY-UHFFFAOYSA-N 2 2 344.484 3.275 20 30 EGEDLP NC(=[NH+]OCc1ccc(F)cn1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000276098874 456387746 /nfs/dbraw/zinc/38/77/46/456387746.db2.gz RXGMTUAKKZJRSQ-UHFFFAOYSA-N 2 2 342.418 3.044 20 30 EGEDLP COc1cc(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC000353190038 456548341 /nfs/dbraw/zinc/54/83/41/456548341.db2.gz ILVCFOUAOWXGPI-OXQOHEQNSA-N 2 2 335.451 3.177 20 30 EGEDLP COc1cc(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC000353190038 456548349 /nfs/dbraw/zinc/54/83/49/456548349.db2.gz ILVCFOUAOWXGPI-OXQOHEQNSA-N 2 2 335.451 3.177 20 30 EGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC000353390865 456669844 /nfs/dbraw/zinc/66/98/44/456669844.db2.gz VMEZDBINAXDUJM-JOCHJYFZSA-N 2 2 347.462 3.168 20 30 EGEDLP C[N@H+](CCc1cccc(NCc2c[nH+]c3ccc(C#N)cn23)c1)C1CC1 ZINC000341274841 456829956 /nfs/dbraw/zinc/82/99/56/456829956.db2.gz YDRIOULUTJEKLY-UHFFFAOYSA-N 2 2 345.450 3.455 20 30 EGEDLP C[N@@H+](CCc1cccc(NCc2c[nH+]c3ccc(C#N)cn23)c1)C1CC1 ZINC000341274841 456829960 /nfs/dbraw/zinc/82/99/60/456829960.db2.gz YDRIOULUTJEKLY-UHFFFAOYSA-N 2 2 345.450 3.455 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3CC(C(F)(F)F)C3)CC2)cc1 ZINC000348754737 456842082 /nfs/dbraw/zinc/84/20/82/456842082.db2.gz LAPOMZMMIBEPCV-UHFFFAOYSA-N 2 2 337.389 3.453 20 30 EGEDLP C=CCc1cc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc(OC)c1O ZINC000354077465 457047647 /nfs/dbraw/zinc/04/76/47/457047647.db2.gz DNXDBCISIYJCFZ-QGZVFWFLSA-N 2 2 344.499 3.293 20 30 EGEDLP C=CCc1cc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc(OC)c1O ZINC000354077465 457047648 /nfs/dbraw/zinc/04/76/48/457047648.db2.gz DNXDBCISIYJCFZ-QGZVFWFLSA-N 2 2 344.499 3.293 20 30 EGEDLP C=CCc1cc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc(OC)c1O ZINC000354077465 457047650 /nfs/dbraw/zinc/04/76/50/457047650.db2.gz DNXDBCISIYJCFZ-QGZVFWFLSA-N 2 2 344.499 3.293 20 30 EGEDLP C=CCc1cc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc(OC)c1O ZINC000354077465 457047659 /nfs/dbraw/zinc/04/76/59/457047659.db2.gz DNXDBCISIYJCFZ-QGZVFWFLSA-N 2 2 344.499 3.293 20 30 EGEDLP C=CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000351912980 457323397 /nfs/dbraw/zinc/32/33/97/457323397.db2.gz NSAMKSAVVZDHTP-UHFFFAOYSA-N 2 2 349.544 3.071 20 30 EGEDLP C=CCCCCC[N@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000351912980 457323403 /nfs/dbraw/zinc/32/34/03/457323403.db2.gz NSAMKSAVVZDHTP-UHFFFAOYSA-N 2 2 349.544 3.071 20 30 EGEDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360838319 457376628 /nfs/dbraw/zinc/37/66/28/457376628.db2.gz UBTQOPOLFYCMER-FPOVZHCZSA-N 2 2 341.499 3.272 20 30 EGEDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360838319 457376639 /nfs/dbraw/zinc/37/66/39/457376639.db2.gz UBTQOPOLFYCMER-FPOVZHCZSA-N 2 2 341.499 3.272 20 30 EGEDLP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000361465155 457740704 /nfs/dbraw/zinc/74/07/04/457740704.db2.gz UQCCJIPJFPOLRV-RLLQIKCJSA-N 2 2 329.488 3.368 20 30 EGEDLP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000361465155 457740708 /nfs/dbraw/zinc/74/07/08/457740708.db2.gz UQCCJIPJFPOLRV-RLLQIKCJSA-N 2 2 329.488 3.368 20 30 EGEDLP C=C(C)COc1cc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)ccc1OC ZINC000368137166 458014098 /nfs/dbraw/zinc/01/40/98/458014098.db2.gz XXTCKWMZGHFQSK-QGZVFWFLSA-N 2 2 341.455 3.373 20 30 EGEDLP C=C(C)COc1cc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)ccc1OC ZINC000368137166 458014103 /nfs/dbraw/zinc/01/41/03/458014103.db2.gz XXTCKWMZGHFQSK-QGZVFWFLSA-N 2 2 341.455 3.373 20 30 EGEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)NCc1cc(C)[nH+]c(C)c1)C(C)C ZINC000420855322 458402154 /nfs/dbraw/zinc/40/21/54/458402154.db2.gz WGOZVGOUYVIKOB-LJQANCHMSA-N 2 2 344.503 3.196 20 30 EGEDLP C[C@@H]([NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000423580907 458459006 /nfs/dbraw/zinc/45/90/06/458459006.db2.gz YMOMPEOZFXIGFF-GOSISDBHSA-N 3 2 348.494 3.202 20 30 EGEDLP COc1cc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)ccc1C#N ZINC000440829384 458858956 /nfs/dbraw/zinc/85/89/56/458858956.db2.gz JBEBUEAJZIQWKG-UHFFFAOYSA-N 2 2 332.407 3.101 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000559754406 459275686 /nfs/dbraw/zinc/27/56/86/459275686.db2.gz ZRFZIMPAKSKEIO-RTWAWAEBSA-N 3 2 327.516 3.452 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000559754406 459275691 /nfs/dbraw/zinc/27/56/91/459275691.db2.gz ZRFZIMPAKSKEIO-RTWAWAEBSA-N 3 2 327.516 3.452 20 30 EGEDLP N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000588200526 459931658 /nfs/dbraw/zinc/93/16/58/459931658.db2.gz JXTADLBJUABLDX-INIZCTEOSA-N 2 2 345.244 3.354 20 30 EGEDLP N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000588200526 459931664 /nfs/dbraw/zinc/93/16/64/459931664.db2.gz JXTADLBJUABLDX-INIZCTEOSA-N 2 2 345.244 3.354 20 30 EGEDLP CC[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CCO1 ZINC000593691868 459952118 /nfs/dbraw/zinc/95/21/18/459952118.db2.gz RENOFVIEFAXTED-UXHICEINSA-N 2 2 327.472 3.070 20 30 EGEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000602546260 459992770 /nfs/dbraw/zinc/99/27/70/459992770.db2.gz INRZRSTWLWMYTA-AZUAARDMSA-N 2 2 341.499 3.340 20 30 EGEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000602546260 459992773 /nfs/dbraw/zinc/99/27/73/459992773.db2.gz INRZRSTWLWMYTA-AZUAARDMSA-N 2 2 341.499 3.340 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3noc4ccccc34)CC2)cc1 ZINC000575934683 460036444 /nfs/dbraw/zinc/03/64/44/460036444.db2.gz UKSACCJJBUTOQO-UHFFFAOYSA-N 2 2 346.434 3.454 20 30 EGEDLP C[C@H](CCC#N)C[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000618887999 460208992 /nfs/dbraw/zinc/20/89/92/460208992.db2.gz LPWLXMBNGDBCAH-MSOLQXFVSA-N 2 2 329.488 3.416 20 30 EGEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H](C)c3cccc(C#N)c3)c2cc1C ZINC000611386846 460350022 /nfs/dbraw/zinc/35/00/22/460350022.db2.gz AXPJGJYCBHYIDK-APWZRJJASA-N 2 2 348.450 3.237 20 30 EGEDLP N#CCC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000601964626 460964221 /nfs/dbraw/zinc/96/42/21/460964221.db2.gz JMZZYTMMHCEQML-VXKWHMMOSA-N 2 2 349.478 3.258 20 30 EGEDLP C=CCC1(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000648310713 462056432 /nfs/dbraw/zinc/05/64/32/462056432.db2.gz DBMMIBWFZINVLL-IBGZPJMESA-N 2 2 347.547 3.140 20 30 EGEDLP C=CCC1(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000648310713 462056439 /nfs/dbraw/zinc/05/64/39/462056439.db2.gz DBMMIBWFZINVLL-IBGZPJMESA-N 2 2 347.547 3.140 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2nnn(-c3ccc(F)cc3)c2C)CC1 ZINC000177909638 526452659 /nfs/dbraw/zinc/45/26/59/526452659.db2.gz KEELTKAFQRNEFC-AWEZNQCLSA-N 2 2 343.450 3.016 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000152962400 526604367 /nfs/dbraw/zinc/60/43/67/526604367.db2.gz YMLBPANGWINJKR-GHTZIAJQSA-N 2 2 327.516 3.280 20 30 EGEDLP CC1(C)C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C(C)(C)O1 ZINC000181261471 529138979 /nfs/dbraw/zinc/13/89/79/529138979.db2.gz BUYGMPVHQXXHMU-LJQANCHMSA-N 2 2 341.499 3.458 20 30 EGEDLP COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246912616 536644122 /nfs/dbraw/zinc/64/41/22/536644122.db2.gz RZBFHINETHNWIM-QFBILLFUSA-N 2 2 325.456 3.016 20 30 EGEDLP COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246912616 536644129 /nfs/dbraw/zinc/64/41/29/536644129.db2.gz RZBFHINETHNWIM-QFBILLFUSA-N 2 2 325.456 3.016 20 30 EGEDLP COc1ccc(C#N)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246912616 536644135 /nfs/dbraw/zinc/64/41/35/536644135.db2.gz RZBFHINETHNWIM-QFBILLFUSA-N 2 2 325.456 3.016 20 30 EGEDLP COc1ccc(C#N)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246912616 536644142 /nfs/dbraw/zinc/64/41/42/536644142.db2.gz RZBFHINETHNWIM-QFBILLFUSA-N 2 2 325.456 3.016 20 30 EGEDLP COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246912600 536644740 /nfs/dbraw/zinc/64/47/40/536644740.db2.gz RZBFHINETHNWIM-LPHOPBHVSA-N 2 2 325.456 3.016 20 30 EGEDLP COc1ccc(C#N)cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246912600 536644742 /nfs/dbraw/zinc/64/47/42/536644742.db2.gz RZBFHINETHNWIM-LPHOPBHVSA-N 2 2 325.456 3.016 20 30 EGEDLP COc1ccc(C#N)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246912600 536644744 /nfs/dbraw/zinc/64/47/44/536644744.db2.gz RZBFHINETHNWIM-LPHOPBHVSA-N 2 2 325.456 3.016 20 30 EGEDLP COc1ccc(C#N)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246912600 536644746 /nfs/dbraw/zinc/64/47/46/536644746.db2.gz RZBFHINETHNWIM-LPHOPBHVSA-N 2 2 325.456 3.016 20 30 EGEDLP C[NH+](C)CCOc1ccc(C=NNc2cc[nH+]c3ccccc23)cc1 ZINC000730148529 574925865 /nfs/dbraw/zinc/92/58/65/574925865.db2.gz WQIXRTWFTOUZRD-UHFFFAOYSA-N 2 2 334.423 3.043 20 30 EGEDLP C=CCc1cc(C[NH+]2CCC([NH+](CC)CC)CC2)c(O)c(OC)c1 ZINC000164357941 1294348203 /nfs/dbraw/zinc/34/82/03/1294348203.db2.gz QWPBBGJPLNODHI-UHFFFAOYSA-N 2 2 332.488 3.436 20 30 EGEDLP CN(C)c1cc[nH+]cc1C=[NH+]Nc1ccc(Br)c(F)c1 ZINC000769830289 1303182277 /nfs/dbraw/zinc/18/22/77/1303182277.db2.gz XXKICKKJIJGKEO-UHFFFAOYSA-N 2 2 337.196 3.495 20 30 EGEDLP C[NH+]1CCN(c2ccc(C=[NH+]Nc3cc(F)c(F)c(F)c3)cc2)CC1 ZINC000771561068 1303421222 /nfs/dbraw/zinc/42/12/22/1303421222.db2.gz RAWKKTUQLVBJAI-UHFFFAOYSA-N 2 2 348.372 3.302 20 30 EGEDLP N#CCOc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000783031680 1305039071 /nfs/dbraw/zinc/03/90/71/1305039071.db2.gz VMWJAAZQCQDNOC-UHFFFAOYSA-N 2 2 338.455 3.478 20 30 EGEDLP CC[C@@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)c1cccc(C#N)c1 ZINC000902797772 1317617758 /nfs/dbraw/zinc/61/77/58/1317617758.db2.gz YTKTXBDSRTZAKP-LJQANCHMSA-N 2 2 329.488 3.488 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C(OC)OC)ccc2F)CC1 ZINC000818186583 1319513529 /nfs/dbraw/zinc/51/35/29/1319513529.db2.gz MCRXYPPJTLXEAV-UHFFFAOYSA-N 2 2 336.451 3.247 20 30 EGEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCC2(C#N)CCCCC2)cc1 ZINC000842036627 1321338142 /nfs/dbraw/zinc/33/81/42/1321338142.db2.gz NYOJPKLIFFTHOU-UHFFFAOYSA-N 2 2 328.460 3.249 20 30 EGEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024711927 1323618548 /nfs/dbraw/zinc/61/85/48/1323618548.db2.gz NCTVOGJNDFLYSV-GOSISDBHSA-N 2 2 349.906 3.085 20 30 EGEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024711927 1323618552 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2 338.455 3.033 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001028239692 1340499714 /nfs/dbraw/zinc/49/97/14/1340499714.db2.gz UQJBSGFWJJMMEC-IBGZPJMESA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001028239692 1340499716 /nfs/dbraw/zinc/49/97/16/1340499716.db2.gz UQJBSGFWJJMMEC-IBGZPJMESA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)C[NH+]1CCC2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC1 ZINC001040747997 1345574461 /nfs/dbraw/zinc/57/44/61/1345574461.db2.gz YEJGJVYAUZZPFS-UHFFFAOYSA-N 2 2 338.455 3.067 20 30 EGEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C2 ZINC001048549313 1347588588 /nfs/dbraw/zinc/58/85/88/1347588588.db2.gz YFLSRWJGXMYIKE-BCDXTJNWSA-N 2 2 327.472 3.166 20 30 EGEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C2 ZINC001048549313 1347588591 /nfs/dbraw/zinc/58/85/91/1347588591.db2.gz YFLSRWJGXMYIKE-BCDXTJNWSA-N 2 2 327.472 3.166 20 30 EGEDLP C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053086004 1348908705 /nfs/dbraw/zinc/90/87/05/1348908705.db2.gz AJDAOFYVCLUMTP-IEBWSBKVSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)C[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053086004 1348908708 /nfs/dbraw/zinc/90/87/08/1348908708.db2.gz AJDAOFYVCLUMTP-IEBWSBKVSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053086004 1348908712 /nfs/dbraw/zinc/90/87/12/1348908712.db2.gz AJDAOFYVCLUMTP-IEBWSBKVSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)C[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053086004 1348908714 /nfs/dbraw/zinc/90/87/14/1348908714.db2.gz AJDAOFYVCLUMTP-IEBWSBKVSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC[C@H]1C ZINC001071954425 1355039851 /nfs/dbraw/zinc/03/98/51/1355039851.db2.gz OOHSGBXCVYYFSO-SJLPKXTDSA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC[C@H]1C ZINC001071954425 1355039853 /nfs/dbraw/zinc/03/98/53/1355039853.db2.gz OOHSGBXCVYYFSO-SJLPKXTDSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001088355364 1359839810 /nfs/dbraw/zinc/83/98/10/1359839810.db2.gz VPNMOCCLPSMJMB-SFHVURJKSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC(C)(C)C1 ZINC001089421836 1360416223 /nfs/dbraw/zinc/41/62/23/1360416223.db2.gz YKZPXRREGWQFLO-INIZCTEOSA-N 2 2 340.471 3.359 20 30 EGEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC(C)(C)C1 ZINC001089421836 1360416224 /nfs/dbraw/zinc/41/62/24/1360416224.db2.gz YKZPXRREGWQFLO-INIZCTEOSA-N 2 2 340.471 3.359 20 30 EGEDLP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089657241 1360569291 /nfs/dbraw/zinc/56/92/91/1360569291.db2.gz BNKQOVUOHZCPSO-MRXNPFEDSA-N 2 2 340.471 3.359 20 30 EGEDLP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089657241 1360569294 /nfs/dbraw/zinc/56/92/94/1360569294.db2.gz BNKQOVUOHZCPSO-MRXNPFEDSA-N 2 2 340.471 3.359 20 30 EGEDLP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001099251654 1363714005 /nfs/dbraw/zinc/71/40/05/1363714005.db2.gz MUHOZGMHSRNWIE-SJORKVTESA-N 2 2 332.492 3.017 20 30 EGEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001099251654 1363714007 /nfs/dbraw/zinc/71/40/07/1363714007.db2.gz MUHOZGMHSRNWIE-SJORKVTESA-N 2 2 332.492 3.017 20 30 EGEDLP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001101550402 1364613527 /nfs/dbraw/zinc/61/35/27/1364613527.db2.gz HGDFXSBHPPZAIL-UHFFFAOYSA-N 2 2 340.471 3.217 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001102926754 1365295946 /nfs/dbraw/zinc/29/59/46/1365295946.db2.gz SRGYHWCSDJXCSR-QZTJIDSGSA-N 2 2 346.519 3.163 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001102926754 1365295947 /nfs/dbraw/zinc/29/59/47/1365295947.db2.gz SRGYHWCSDJXCSR-QZTJIDSGSA-N 2 2 346.519 3.163 20 30 EGEDLP CCCCCCC[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001185572399 1387753331 /nfs/dbraw/zinc/75/33/31/1387753331.db2.gz IURDHYIZIGUSMY-SJLPKXTDSA-N 2 2 348.535 3.305 20 30 EGEDLP C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)CCC1 ZINC001105532620 1366514112 /nfs/dbraw/zinc/51/41/12/1366514112.db2.gz PMBABKIHPHLWIS-QGZVFWFLSA-N 2 2 344.503 3.059 20 30 EGEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001109772128 1367314115 /nfs/dbraw/zinc/31/41/15/1367314115.db2.gz GCBKYHWEGOCKFD-YRXWBPOGSA-N 2 2 344.503 3.302 20 30 EGEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001109772128 1367314123 /nfs/dbraw/zinc/31/41/23/1367314123.db2.gz GCBKYHWEGOCKFD-YRXWBPOGSA-N 2 2 344.503 3.302 20 30 EGEDLP C=CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001108671820 1367524821 /nfs/dbraw/zinc/52/48/21/1367524821.db2.gz WNVPJSZSGVSWAX-BZSNNMDCSA-N 2 2 344.503 3.058 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001108700013 1367541189 /nfs/dbraw/zinc/54/11/89/1367541189.db2.gz SAZVHFOQPVZEAV-UHOSZYNNSA-N 2 2 346.519 3.282 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001108700013 1367541191 /nfs/dbraw/zinc/54/11/91/1367541191.db2.gz SAZVHFOQPVZEAV-UHOSZYNNSA-N 2 2 346.519 3.282 20 30 EGEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001111127227 1368161625 /nfs/dbraw/zinc/16/16/25/1368161625.db2.gz BAOFSWOKJUZTDF-OWYHZJEWSA-N 2 2 344.503 3.056 20 30 EGEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001111127227 1368161631 /nfs/dbraw/zinc/16/16/31/1368161631.db2.gz BAOFSWOKJUZTDF-OWYHZJEWSA-N 2 2 344.503 3.056 20 30 EGEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001111127227 1368161634 /nfs/dbraw/zinc/16/16/34/1368161634.db2.gz BAOFSWOKJUZTDF-OWYHZJEWSA-N 2 2 344.503 3.056 20 30 EGEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001111127227 1368161639 /nfs/dbraw/zinc/16/16/39/1368161639.db2.gz BAOFSWOKJUZTDF-OWYHZJEWSA-N 2 2 344.503 3.056 20 30 EGEDLP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001111784493 1368460223 /nfs/dbraw/zinc/46/02/23/1368460223.db2.gz MSQFVEXKWKNNJW-BJLQDIEVSA-N 2 2 344.503 3.017 20 30 EGEDLP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001111784493 1368460228 /nfs/dbraw/zinc/46/02/28/1368460228.db2.gz MSQFVEXKWKNNJW-BJLQDIEVSA-N 2 2 344.503 3.017 20 30 EGEDLP C=CCCC[NH2+]C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001201182836 1369491330 /nfs/dbraw/zinc/49/13/30/1369491330.db2.gz OJDGDKNLTNIUNY-SFHVURJKSA-N 2 2 332.492 3.017 20 30 EGEDLP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001208386592 1371746960 /nfs/dbraw/zinc/74/69/60/1371746960.db2.gz FTVZBBRNOZBNDT-ROUUACIJSA-N 2 2 332.492 3.017 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001210049818 1372262272 /nfs/dbraw/zinc/26/22/72/1372262272.db2.gz ABOWVGAMBLLAOX-IAGOWNOFSA-N 2 2 334.508 3.139 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001210049818 1372262275 /nfs/dbraw/zinc/26/22/75/1372262275.db2.gz ABOWVGAMBLLAOX-IAGOWNOFSA-N 2 2 334.508 3.139 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001132221099 1375218328 /nfs/dbraw/zinc/21/83/28/1375218328.db2.gz BUKVPTVMNGYPBX-ROUUACIJSA-N 2 2 334.508 3.213 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001132221099 1375218336 /nfs/dbraw/zinc/21/83/36/1375218336.db2.gz BUKVPTVMNGYPBX-ROUUACIJSA-N 2 2 334.508 3.213 20 30 EGEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC[C@H]1C ZINC001132992761 1375699304 /nfs/dbraw/zinc/69/93/04/1375699304.db2.gz MFRRGCPZWYJXTL-RDTXWAMCSA-N 2 2 329.488 3.271 20 30 EGEDLP C#CC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)c(Br)c2)CC1 ZINC001235035250 1376833206 /nfs/dbraw/zinc/83/32/06/1376833206.db2.gz CRWMHQLHSMJIQI-UHFFFAOYSA-N 2 2 344.256 3.480 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001189261528 1388499402 /nfs/dbraw/zinc/49/94/02/1388499402.db2.gz UORMGKYBLLEUDV-CEXWTWQISA-N 2 2 346.519 3.337 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001189261528 1388499406 /nfs/dbraw/zinc/49/94/06/1388499406.db2.gz UORMGKYBLLEUDV-CEXWTWQISA-N 2 2 346.519 3.337 20 30 EGEDLP Cc1c[nH+]ccc1N1CC[NH+](Cc2cccc(C#N)c2Cl)CC1 ZINC001140814904 1378149032 /nfs/dbraw/zinc/14/90/32/1378149032.db2.gz SXGFKEPXDNTOGV-UHFFFAOYSA-N 2 2 326.831 3.237 20 30 EGEDLP C=CCCCCC[N@H+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001148357397 1379156097 /nfs/dbraw/zinc/15/60/97/1379156097.db2.gz MHUVMYODQCCTHR-SFHVURJKSA-N 2 2 344.503 3.115 20 30 EGEDLP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001148357397 1379156098 /nfs/dbraw/zinc/15/60/98/1379156098.db2.gz MHUVMYODQCCTHR-SFHVURJKSA-N 2 2 344.503 3.115 20 30 EGEDLP CCCCCCC[N@@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001148888195 1379291470 /nfs/dbraw/zinc/29/14/70/1379291470.db2.gz XGLKFMFMPGRCGR-UHFFFAOYSA-N 2 2 346.519 3.168 20 30 EGEDLP CCCCCCC[N@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001148888195 1379291474 /nfs/dbraw/zinc/29/14/74/1379291474.db2.gz XGLKFMFMPGRCGR-UHFFFAOYSA-N 2 2 346.519 3.168 20 30 EGEDLP CCCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001158534194 1381285204 /nfs/dbraw/zinc/28/52/04/1381285204.db2.gz QUCMUHRRLNXNPC-GOSISDBHSA-N 2 2 334.508 3.236 20 30 EGEDLP CCCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001158534194 1381285209 /nfs/dbraw/zinc/28/52/09/1381285209.db2.gz QUCMUHRRLNXNPC-GOSISDBHSA-N 2 2 334.508 3.236 20 30 EGEDLP Cc1ccc(CC#N)c(NC2CC[NH+](Cc3ccc(O)cc3)CC2)[nH+]1 ZINC001161136590 1382314932 /nfs/dbraw/zinc/31/49/32/1382314932.db2.gz HLGWXIHZALDKGW-UHFFFAOYSA-N 2 2 336.439 3.238 20 30 EGEDLP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001165637974 1383318678 /nfs/dbraw/zinc/31/86/78/1383318678.db2.gz PVRDDQIWABRRKU-GOSISDBHSA-N 2 2 346.519 3.313 20 30 EGEDLP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001170786334 1384385201 /nfs/dbraw/zinc/38/52/01/1384385201.db2.gz RUMJLDPBPDDQHG-INIZCTEOSA-N 2 2 342.487 3.487 20 30 EGEDLP C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001176350920 1385560100 /nfs/dbraw/zinc/56/01/00/1385560100.db2.gz NBUZRUFUISHMOM-MRXNPFEDSA-N 2 2 334.508 3.272 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001494273434 1396415863 /nfs/dbraw/zinc/41/58/63/1396415863.db2.gz OGMRWMMOOLXUMK-GDBMZVCRSA-N 2 2 326.444 3.112 20 30 EGEDLP C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001494273434 1396415866 /nfs/dbraw/zinc/41/58/66/1396415866.db2.gz OGMRWMMOOLXUMK-GDBMZVCRSA-N 2 2 326.444 3.112 20 30 EGEDLP CCCCCCC[NH+]1CC(CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001753403434 1440391301 /nfs/dbraw/zinc/39/13/01/1440391301.db2.gz VOADODYPZMWANU-UHFFFAOYSA-N 2 2 342.487 3.275 20 30 EGEDLP CCCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001753444808 1440403344 /nfs/dbraw/zinc/40/33/44/1440403344.db2.gz YHAKFAWURRMDOR-KZNAEPCWSA-N 2 2 346.519 3.027 20 30 EGEDLP CCCCCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001753444808 1440403345 /nfs/dbraw/zinc/40/33/45/1440403345.db2.gz YHAKFAWURRMDOR-KZNAEPCWSA-N 2 2 346.519 3.027 20 30 EGEDLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC000191814997 239315342 /nfs/dbraw/zinc/31/53/42/239315342.db2.gz KWJBLHZGUMAFMM-UHFFFAOYSA-N 2 2 347.260 3.348 20 30 EGEDLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(C#N)ccc1Br ZINC000191814997 239315349 /nfs/dbraw/zinc/31/53/49/239315349.db2.gz KWJBLHZGUMAFMM-UHFFFAOYSA-N 2 2 347.260 3.348 20 30 EGEDLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000181530467 533453482 /nfs/dbraw/zinc/45/34/82/533453482.db2.gz JGOJDJBTGCUCHN-QGZVFWFLSA-N 2 2 335.451 3.241 20 30 EGEDLP Cn1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1C#N ZINC000248844131 163038623 /nfs/dbraw/zinc/03/86/23/163038623.db2.gz MOWSWMXITIBQMZ-UNMCSNQZSA-N 2 2 348.494 3.383 20 30 EGEDLP Cn1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1C#N ZINC000248844131 163038626 /nfs/dbraw/zinc/03/86/26/163038626.db2.gz MOWSWMXITIBQMZ-UNMCSNQZSA-N 2 2 348.494 3.383 20 30 EGEDLP Cn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1C#N ZINC000248844131 163038628 /nfs/dbraw/zinc/03/86/28/163038628.db2.gz MOWSWMXITIBQMZ-UNMCSNQZSA-N 2 2 348.494 3.383 20 30 EGEDLP Cn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1C#N ZINC000248844131 163038631 /nfs/dbraw/zinc/03/86/31/163038631.db2.gz MOWSWMXITIBQMZ-UNMCSNQZSA-N 2 2 348.494 3.383 20 30 EGEDLP C[C@@H](c1ccc(C#N)cc1)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249566290 163063985 /nfs/dbraw/zinc/06/39/85/163063985.db2.gz NCPLPYQCWYMRJH-AVRDEDQJSA-N 2 2 349.478 3.188 20 30 EGEDLP C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249566290 163063987 /nfs/dbraw/zinc/06/39/87/163063987.db2.gz NCPLPYQCWYMRJH-AVRDEDQJSA-N 2 2 349.478 3.188 20 30 EGEDLP C[C@@H](c1ccc(C#N)cc1)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249566290 163063989 /nfs/dbraw/zinc/06/39/89/163063989.db2.gz NCPLPYQCWYMRJH-AVRDEDQJSA-N 2 2 349.478 3.188 20 30 EGEDLP C[C@@H](c1ccc(C#N)cc1)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249566290 163063991 /nfs/dbraw/zinc/06/39/91/163063991.db2.gz NCPLPYQCWYMRJH-AVRDEDQJSA-N 2 2 349.478 3.188 20 30 EGEDLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437628227 267302942 /nfs/dbraw/zinc/30/29/42/267302942.db2.gz LSCNGARMEUWQMT-MRXNPFEDSA-N 2 2 349.425 3.323 20 30 EGEDLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437628227 267302945 /nfs/dbraw/zinc/30/29/45/267302945.db2.gz LSCNGARMEUWQMT-MRXNPFEDSA-N 2 2 349.425 3.323 20 30 EGEDLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437628227 267302946 /nfs/dbraw/zinc/30/29/46/267302946.db2.gz LSCNGARMEUWQMT-MRXNPFEDSA-N 2 2 349.425 3.323 20 30 EGEDLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437628227 267302949 /nfs/dbraw/zinc/30/29/49/267302949.db2.gz LSCNGARMEUWQMT-MRXNPFEDSA-N 2 2 349.425 3.323 20 30 EGEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000090003731 454260773 /nfs/dbraw/zinc/26/07/73/454260773.db2.gz IEJISZWCZNXFNG-GOSISDBHSA-N 2 2 338.455 3.015 20 30 EGEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000090003731 454260777 /nfs/dbraw/zinc/26/07/77/454260777.db2.gz IEJISZWCZNXFNG-GOSISDBHSA-N 2 2 338.455 3.015 20 30 EGEDLP COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000121525442 454447337 /nfs/dbraw/zinc/44/73/37/454447337.db2.gz YCQIXDUQMXRODH-VQIMIIECSA-N 2 2 325.456 3.016 20 30 EGEDLP COc1cc(C#N)ccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000121525442 454447341 /nfs/dbraw/zinc/44/73/41/454447341.db2.gz YCQIXDUQMXRODH-VQIMIIECSA-N 2 2 325.456 3.016 20 30 EGEDLP COc1cc(C#N)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000121525442 454447346 /nfs/dbraw/zinc/44/73/46/454447346.db2.gz YCQIXDUQMXRODH-VQIMIIECSA-N 2 2 325.456 3.016 20 30 EGEDLP COc1cc(C#N)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000121525442 454447349 /nfs/dbraw/zinc/44/73/49/454447349.db2.gz YCQIXDUQMXRODH-VQIMIIECSA-N 2 2 325.456 3.016 20 30 EGEDLP C=CCc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc(OC)c1O ZINC000092072146 454516428 /nfs/dbraw/zinc/51/64/28/454516428.db2.gz AUXXNAOMDPNMFN-MRXNPFEDSA-N 2 2 327.428 3.232 20 30 EGEDLP C=CCc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc(OC)c1O ZINC000092072146 454516432 /nfs/dbraw/zinc/51/64/32/454516432.db2.gz AUXXNAOMDPNMFN-MRXNPFEDSA-N 2 2 327.428 3.232 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCc3[nH]c4ccc(OC)cc4c3C2)CC1 ZINC000123224683 454617779 /nfs/dbraw/zinc/61/77/79/454617779.db2.gz SQAYHOZCRXMJPZ-INIZCTEOSA-N 2 2 339.483 3.274 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000106244963 454687757 /nfs/dbraw/zinc/68/77/57/454687757.db2.gz HQJJYFTWEXAUNF-UHFFFAOYSA-N 2 2 328.435 3.142 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(OC)c2OC(F)F)CC1 ZINC000106246380 454688145 /nfs/dbraw/zinc/68/81/45/454688145.db2.gz XHPVDJVIWFOKTJ-UHFFFAOYSA-N 2 2 340.414 3.427 20 30 EGEDLP C=CCOc1ccc(C[N@H+]2CC[C@H](C[NH+](CC)CC)C2)cc1OC ZINC000093693393 454730598 /nfs/dbraw/zinc/73/05/98/454730598.db2.gz KOTLMSGTZBCRNK-GOSISDBHSA-N 2 2 332.488 3.424 20 30 EGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@H](C[NH+](CC)CC)C2)cc1OC ZINC000093693393 454730601 /nfs/dbraw/zinc/73/06/01/454730601.db2.gz KOTLMSGTZBCRNK-GOSISDBHSA-N 2 2 332.488 3.424 20 30 EGEDLP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1OCCCC#N ZINC000151103229 454938479 /nfs/dbraw/zinc/93/84/79/454938479.db2.gz VMYWISCWYZCWJC-NVXWUHKLSA-N 2 2 343.471 3.093 20 30 EGEDLP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1OCCCC#N ZINC000151103229 454938481 /nfs/dbraw/zinc/93/84/81/454938481.db2.gz VMYWISCWYZCWJC-NVXWUHKLSA-N 2 2 343.471 3.093 20 30 EGEDLP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000173619570 455317196 /nfs/dbraw/zinc/31/71/96/455317196.db2.gz OXOIQEHZMSNRDM-CYBMUJFWSA-N 2 2 348.878 3.001 20 30 EGEDLP N#Cc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)s1 ZINC000192355030 455595910 /nfs/dbraw/zinc/59/59/10/455595910.db2.gz TYKRHEKYWIRVAQ-QGZVFWFLSA-N 2 2 341.480 3.000 20 30 EGEDLP N#Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)s1 ZINC000192355030 455595916 /nfs/dbraw/zinc/59/59/16/455595916.db2.gz TYKRHEKYWIRVAQ-QGZVFWFLSA-N 2 2 341.480 3.000 20 30 EGEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC#Cc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000249364305 455750440 /nfs/dbraw/zinc/75/04/40/455750440.db2.gz OESSCZORKYOQQA-FXAWDEMLSA-N 2 2 348.918 3.418 20 30 EGEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC#Cc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000249364305 455750445 /nfs/dbraw/zinc/75/04/45/455750445.db2.gz OESSCZORKYOQQA-FXAWDEMLSA-N 2 2 348.918 3.418 20 30 EGEDLP Cc1c[nH+]ccc1CC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000270034603 455861764 /nfs/dbraw/zinc/86/17/64/455861764.db2.gz YUPPPMWZSVBKFA-UHFFFAOYSA-N 2 2 345.450 3.500 20 30 EGEDLP COc1ccc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)cc1C#N ZINC000285834949 455925783 /nfs/dbraw/zinc/92/57/83/455925783.db2.gz XBUCANSPIDNIHN-UHFFFAOYSA-N 2 2 327.428 3.114 20 30 EGEDLP COc1ccc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)cc1C#N ZINC000285834949 455925787 /nfs/dbraw/zinc/92/57/87/455925787.db2.gz XBUCANSPIDNIHN-UHFFFAOYSA-N 2 2 327.428 3.114 20 30 EGEDLP COc1ccc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)cc1C#N ZINC000285834949 455925791 /nfs/dbraw/zinc/92/57/91/455925791.db2.gz XBUCANSPIDNIHN-UHFFFAOYSA-N 2 2 327.428 3.114 20 30 EGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337282003 456343149 /nfs/dbraw/zinc/34/31/49/456343149.db2.gz WXGMRWDJZDPDLN-KRWDZBQOSA-N 2 2 349.544 3.069 20 30 EGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337282003 456343154 /nfs/dbraw/zinc/34/31/54/456343154.db2.gz WXGMRWDJZDPDLN-KRWDZBQOSA-N 2 2 349.544 3.069 20 30 EGEDLP N#Cc1cc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccc1F ZINC000348307449 456612204 /nfs/dbraw/zinc/61/22/04/456612204.db2.gz PGJQGESMAIGWNN-PMACEKPBSA-N 2 2 335.426 3.261 20 30 EGEDLP COc1ccc(C#N)cc1C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000348317469 456619350 /nfs/dbraw/zinc/61/93/50/456619350.db2.gz AQWLIJWOCQLMLQ-NHCUHLMSSA-N 2 2 347.462 3.131 20 30 EGEDLP C=C(C)COc1cc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)ccc1OC ZINC000344837379 456867328 /nfs/dbraw/zinc/86/73/28/456867328.db2.gz LGLSXHFZYZCUAQ-MAUKXSAKSA-N 2 2 330.472 3.222 20 30 EGEDLP C=C(C)COc1cc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)ccc1OC ZINC000344837379 456867334 /nfs/dbraw/zinc/86/73/34/456867334.db2.gz LGLSXHFZYZCUAQ-MAUKXSAKSA-N 2 2 330.472 3.222 20 30 EGEDLP Cn1cc[nH+]c1[C@@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)C1CCOCC1 ZINC000329440555 456890475 /nfs/dbraw/zinc/89/04/75/456890475.db2.gz JXHVSRXPJORFIQ-AEFFLSMTSA-N 2 2 348.491 3.109 20 30 EGEDLP Cn1cc[nH+]c1[C@@H](NC(=O)CC[C@H]1CCCC[N@H+]1C)C1CCOCC1 ZINC000329440555 456890479 /nfs/dbraw/zinc/89/04/79/456890479.db2.gz JXHVSRXPJORFIQ-AEFFLSMTSA-N 2 2 348.491 3.109 20 30 EGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1OC ZINC000354174698 457110749 /nfs/dbraw/zinc/11/07/49/457110749.db2.gz DALSWHDWFVWMHB-HXUWFJFHSA-N 2 2 330.472 3.178 20 30 EGEDLP C=CCOc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1OC ZINC000354174698 457110756 /nfs/dbraw/zinc/11/07/56/457110756.db2.gz DALSWHDWFVWMHB-HXUWFJFHSA-N 2 2 330.472 3.178 20 30 EGEDLP C=CCOc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1OC ZINC000354174698 457110763 /nfs/dbraw/zinc/11/07/63/457110763.db2.gz DALSWHDWFVWMHB-HXUWFJFHSA-N 2 2 330.472 3.178 20 30 EGEDLP C=CCOc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1OC ZINC000354174698 457110772 /nfs/dbraw/zinc/11/07/72/457110772.db2.gz DALSWHDWFVWMHB-HXUWFJFHSA-N 2 2 330.472 3.178 20 30 EGEDLP Cc1cc(NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)c(C#N)c[nH+]1 ZINC000425271516 457477975 /nfs/dbraw/zinc/47/79/75/457477975.db2.gz VDOSOXXOPBMTDZ-HXUWFJFHSA-N 2 2 338.455 3.186 20 30 EGEDLP N#Cc1ccccc1OCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361058344 457552971 /nfs/dbraw/zinc/55/29/71/457552971.db2.gz BWKDFJOJQXFSCS-UHFFFAOYSA-N 2 2 338.455 3.326 20 30 EGEDLP Cc1cc(C[NH2+]CC2([NH+]3CCSCC3)CCCC2)ccc1C#N ZINC000443964965 457830942 /nfs/dbraw/zinc/83/09/42/457830942.db2.gz JVBCPTAVPFNOEO-UHFFFAOYSA-N 2 2 329.513 3.318 20 30 EGEDLP C=CC[NH+]1CCC([NH2+]Cc2c(C)nc3scc(C4CC4)n23)CC1 ZINC000459401665 458360053 /nfs/dbraw/zinc/36/00/53/458360053.db2.gz MOASJBPJKYXPPQ-UHFFFAOYSA-N 2 2 330.501 3.322 20 30 EGEDLP CC1(C)C[N@@H+](C2(C[NH2+]Cc3ccc(C#N)cc3)CCCCC2)CCO1 ZINC000520227391 459041960 /nfs/dbraw/zinc/04/19/60/459041960.db2.gz WUXPENCORCNSNO-UHFFFAOYSA-N 2 2 341.499 3.462 20 30 EGEDLP CC1(C)C[N@H+](C2(C[NH2+]Cc3ccc(C#N)cc3)CCCCC2)CCO1 ZINC000520227391 459041963 /nfs/dbraw/zinc/04/19/63/459041963.db2.gz WUXPENCORCNSNO-UHFFFAOYSA-N 2 2 341.499 3.462 20 30 EGEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000536462291 459359566 /nfs/dbraw/zinc/35/95/66/459359566.db2.gz HIYZVDHHTQYMMU-HNNXBMFYSA-N 2 2 333.357 3.280 20 30 EGEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000536462291 459359573 /nfs/dbraw/zinc/35/95/73/459359573.db2.gz HIYZVDHHTQYMMU-HNNXBMFYSA-N 2 2 333.357 3.280 20 30 EGEDLP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CCC(CCC#N)CC3)c2cc1C ZINC000573320996 459659667 /nfs/dbraw/zinc/65/96/67/459659667.db2.gz XDWFKYXHYUMPFW-GOSISDBHSA-N 2 2 340.471 3.030 20 30 EGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000491751954 459666291 /nfs/dbraw/zinc/66/62/91/459666291.db2.gz VGPNTKYRIAFADQ-OAQYLSRUSA-N 2 2 333.435 3.462 20 30 EGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000491751954 459666298 /nfs/dbraw/zinc/66/62/98/459666298.db2.gz VGPNTKYRIAFADQ-OAQYLSRUSA-N 2 2 333.435 3.462 20 30 EGEDLP CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000585718693 459836392 /nfs/dbraw/zinc/83/63/92/459836392.db2.gz TYGPIVZKMYGUQV-IBGZPJMESA-N 2 2 341.499 3.174 20 30 EGEDLP CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000585718693 459836394 /nfs/dbraw/zinc/83/63/94/459836394.db2.gz TYGPIVZKMYGUQV-IBGZPJMESA-N 2 2 341.499 3.174 20 30 EGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C3Cc4ccccc4C3)CC2)c1 ZINC000593701954 459957872 /nfs/dbraw/zinc/95/78/72/459957872.db2.gz IRLZJHYOVUSJPL-UHFFFAOYSA-N 2 2 331.463 3.280 20 30 EGEDLP Cc1ncc([C@@H](C)[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)c(C)n1 ZINC000593723749 459963678 /nfs/dbraw/zinc/96/36/78/459963678.db2.gz YGXNQWQOJUUCRO-MRXNPFEDSA-N 2 2 349.482 3.280 20 30 EGEDLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C[C@H](C)CCC#N)CC2)cc1 ZINC000602685651 460064657 /nfs/dbraw/zinc/06/46/57/460064657.db2.gz QLBHTZOEXJCPLL-MRXNPFEDSA-N 2 2 342.487 3.139 20 30 EGEDLP C[C@H](CCC#N)C[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000618888000 460208284 /nfs/dbraw/zinc/20/82/84/460208284.db2.gz LPWLXMBNGDBCAH-QZTJIDSGSA-N 2 2 329.488 3.416 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3(CO)CCCCC3)CC2)cc1 ZINC000611438721 460365591 /nfs/dbraw/zinc/36/55/91/460365591.db2.gz WOURIROELHHEAG-UHFFFAOYSA-N 2 2 341.499 3.055 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)CC1 ZINC000179421016 526452439 /nfs/dbraw/zinc/45/24/39/526452439.db2.gz SDWLMPWWDYJEOY-AWEZNQCLSA-N 2 2 333.432 3.295 20 30 EGEDLP CCCCNC(=[NH2+])NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000183890838 1295156789 /nfs/dbraw/zinc/15/67/89/1295156789.db2.gz XIIGOHSKDPBFMH-CQSZACIVSA-N 2 2 330.398 3.013 20 30 EGEDLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H](C#N)C3)CC2)cc1 ZINC000192904635 1295812641 /nfs/dbraw/zinc/81/26/41/1295812641.db2.gz CFHRIQPJORZZBC-SJLPKXTDSA-N 2 2 326.488 3.393 20 30 EGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000392951318 1297662038 /nfs/dbraw/zinc/66/20/38/1297662038.db2.gz WHNMQHLVIXTIPF-GFCCVEGCSA-N 2 2 327.241 3.194 20 30 EGEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000392951318 1297662050 /nfs/dbraw/zinc/66/20/50/1297662050.db2.gz WHNMQHLVIXTIPF-GFCCVEGCSA-N 2 2 327.241 3.194 20 30 EGEDLP Cc1cccc(C)c1OCCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000747839155 1298868650 /nfs/dbraw/zinc/86/86/50/1298868650.db2.gz ZTQXYITWROOLGA-UHFFFAOYSA-N 2 2 341.455 3.081 20 30 EGEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+]CC1CCC2(CC1)OCCO2)C(C)C ZINC000795893308 1309855948 /nfs/dbraw/zinc/85/59/48/1309855948.db2.gz CDUASNMLWGFUNS-IBGZPJMESA-N 2 2 336.520 3.208 20 30 EGEDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000817941362 1319470214 /nfs/dbraw/zinc/47/02/14/1319470214.db2.gz JKKSGQCLQZEXCR-RTWAWAEBSA-N 2 2 334.467 3.291 20 30 EGEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3c(C)cc(C)[nH+]c3C)C[C@@H]21 ZINC001026318734 1324722507 /nfs/dbraw/zinc/72/25/07/1324722507.db2.gz ZTAINBLXGUHJCT-YESZJQIVSA-N 2 2 347.890 3.200 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC000947315335 1333086313 /nfs/dbraw/zinc/08/63/13/1333086313.db2.gz RFARXIBEJNPJQG-CRAIPNDOSA-N 2 2 340.471 3.192 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC000947315335 1333086314 /nfs/dbraw/zinc/08/63/14/1333086314.db2.gz RFARXIBEJNPJQG-CRAIPNDOSA-N 2 2 340.471 3.192 20 30 EGEDLP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000947572888 1333176850 /nfs/dbraw/zinc/17/68/50/1333176850.db2.gz VFRXCYADNJWDRB-AEFFLSMTSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000947572888 1333176853 /nfs/dbraw/zinc/17/68/53/1333176853.db2.gz VFRXCYADNJWDRB-AEFFLSMTSA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000948767260 1333669459 /nfs/dbraw/zinc/66/94/59/1333669459.db2.gz USRPUBQPSSBPBU-DLBZAZTESA-N 2 2 344.503 3.109 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000948767260 1333669463 /nfs/dbraw/zinc/66/94/63/1333669463.db2.gz USRPUBQPSSBPBU-DLBZAZTESA-N 2 2 344.503 3.109 20 30 EGEDLP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001045969525 1346804643 /nfs/dbraw/zinc/80/46/43/1346804643.db2.gz RWUIOURQTZWCGP-ICSRJNTNSA-N 2 2 344.503 3.115 20 30 EGEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001045969525 1346804645 /nfs/dbraw/zinc/80/46/45/1346804645.db2.gz RWUIOURQTZWCGP-ICSRJNTNSA-N 2 2 344.503 3.115 20 30 EGEDLP C=C(C)C[NH+]1CCC2(CN(C(=O)c3c(C)cc(C)[nH+]c3C)C2)CC1 ZINC001050598525 1348296844 /nfs/dbraw/zinc/29/68/44/1348296844.db2.gz KNRVRTLTKJFDHJ-UHFFFAOYSA-N 2 2 327.472 3.121 20 30 EGEDLP C=CCC[NH+]1CCC2(CN(C(=O)c3c(C)cc(C)[nH+]c3C)C2)CC1 ZINC001050598741 1348297126 /nfs/dbraw/zinc/29/71/26/1348297126.db2.gz SQKZQWUCVIDSFS-UHFFFAOYSA-N 2 2 327.472 3.121 20 30 EGEDLP C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053080143 1348901490 /nfs/dbraw/zinc/90/14/90/1348901490.db2.gz AUQCMUBFSDTDCA-MSOLQXFVSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053080143 1348901492 /nfs/dbraw/zinc/90/14/92/1348901492.db2.gz AUQCMUBFSDTDCA-MSOLQXFVSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001054153001 1349156666 /nfs/dbraw/zinc/15/66/66/1349156666.db2.gz JRSWXAFRDXPPBC-FQEVSTJZSA-N 2 2 338.455 3.067 20 30 EGEDLP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001054153001 1349156670 /nfs/dbraw/zinc/15/66/70/1349156670.db2.gz JRSWXAFRDXPPBC-FQEVSTJZSA-N 2 2 338.455 3.067 20 30 EGEDLP C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001099250765 1363713004 /nfs/dbraw/zinc/71/30/04/1363713004.db2.gz BDPXTBFOLXCUCJ-ROUUACIJSA-N 2 2 346.519 3.407 20 30 EGEDLP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001099250765 1363713005 /nfs/dbraw/zinc/71/30/05/1363713005.db2.gz BDPXTBFOLXCUCJ-ROUUACIJSA-N 2 2 346.519 3.407 20 30 EGEDLP C=C(Cl)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001099130347 1363642717 /nfs/dbraw/zinc/64/27/17/1363642717.db2.gz KGALHHQHCNEFOB-HNNXBMFYSA-N 2 2 343.943 3.076 20 30 EGEDLP C=C(Cl)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[N@H+](C)CC ZINC001099130347 1363642720 /nfs/dbraw/zinc/64/27/20/1363642720.db2.gz KGALHHQHCNEFOB-HNNXBMFYSA-N 2 2 343.943 3.076 20 30 EGEDLP C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+](C)CC ZINC001099130347 1363642722 /nfs/dbraw/zinc/64/27/22/1363642722.db2.gz KGALHHQHCNEFOB-HNNXBMFYSA-N 2 2 343.943 3.076 20 30 EGEDLP C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+](C)CC ZINC001099130347 1363642725 /nfs/dbraw/zinc/64/27/25/1363642725.db2.gz KGALHHQHCNEFOB-HNNXBMFYSA-N 2 2 343.943 3.076 20 30 EGEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001106318940 1366652098 /nfs/dbraw/zinc/65/20/98/1366652098.db2.gz PFIVWSUCDUVXIA-HLLBOEOZSA-N 2 2 340.471 3.215 20 30 EGEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001106747967 1366787229 /nfs/dbraw/zinc/78/72/29/1366787229.db2.gz BTUOLNWBSPCXTO-KZNAEPCWSA-N 2 2 346.519 3.019 20 30 EGEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106747967 1366787230 /nfs/dbraw/zinc/78/72/30/1366787230.db2.gz BTUOLNWBSPCXTO-KZNAEPCWSA-N 2 2 346.519 3.019 20 30 EGEDLP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001190899080 1367377950 /nfs/dbraw/zinc/37/79/50/1367377950.db2.gz GZSYGEMUGNHDRR-SFHVURJKSA-N 2 2 346.519 3.206 20 30 EGEDLP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001190899080 1367377954 /nfs/dbraw/zinc/37/79/54/1367377954.db2.gz GZSYGEMUGNHDRR-SFHVURJKSA-N 2 2 346.519 3.206 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001110717771 1367946286 /nfs/dbraw/zinc/94/62/86/1367946286.db2.gz HCDQNQWWNBQPLJ-VWMOJTHMSA-N 2 2 338.455 3.253 20 30 EGEDLP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001110717771 1367946291 /nfs/dbraw/zinc/94/62/91/1367946291.db2.gz HCDQNQWWNBQPLJ-VWMOJTHMSA-N 2 2 338.455 3.253 20 30 EGEDLP CCCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001112552206 1368925280 /nfs/dbraw/zinc/92/52/80/1368925280.db2.gz MOOSVUFUWAVTJO-PXNSSMCTSA-N 2 2 346.519 3.141 20 30 EGEDLP C=CCCCCC[NH+]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001113683974 1369563882 /nfs/dbraw/zinc/56/38/82/1369563882.db2.gz GCGNFKLLWQEBOW-FQEVSTJZSA-N 2 2 343.515 3.180 20 30 EGEDLP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C12CCC2 ZINC001203190958 1370017350 /nfs/dbraw/zinc/01/73/50/1370017350.db2.gz BQTWNMULDUFVRS-DLBZAZTESA-N 2 2 327.472 3.214 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001209700603 1372174442 /nfs/dbraw/zinc/17/44/42/1372174442.db2.gz WIIKJPDHZCQARZ-KZNAEPCWSA-N 2 2 346.519 3.075 20 30 EGEDLP C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001225962174 1375180148 /nfs/dbraw/zinc/18/01/48/1375180148.db2.gz ZFMLHHXZOHCACE-IAGOWNOFSA-N 2 2 332.492 3.106 20 30 EGEDLP C=CCCCCC[NH+]1CCC(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001228248927 1375533550 /nfs/dbraw/zinc/53/35/50/1375533550.db2.gz FRXRYMJOIQLARK-UHFFFAOYSA-N 2 2 340.471 3.275 20 30 EGEDLP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132781421 1375560937 /nfs/dbraw/zinc/56/09/37/1375560937.db2.gz BAHHWDWDYLINGB-MSOLQXFVSA-N 2 2 346.519 3.163 20 30 EGEDLP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001134369538 1376497945 /nfs/dbraw/zinc/49/79/45/1376497945.db2.gz NTRISZSYDPKZPO-CABCVRRESA-N 2 2 328.460 3.095 20 30 EGEDLP C=CCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001134743629 1376692111 /nfs/dbraw/zinc/69/21/11/1376692111.db2.gz ABXRKXWLUFSFMT-SJORKVTESA-N 2 2 347.503 3.252 20 30 EGEDLP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001158107476 1381130330 /nfs/dbraw/zinc/13/03/30/1381130330.db2.gz QXDCKHPZSPGVGF-RTBURBONSA-N 2 2 346.519 3.359 20 30 EGEDLP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001158107476 1381130333 /nfs/dbraw/zinc/13/03/33/1381130333.db2.gz QXDCKHPZSPGVGF-RTBURBONSA-N 2 2 346.519 3.359 20 30 EGEDLP C=CCCCCC[NH2+]CCCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001160528777 1382131959 /nfs/dbraw/zinc/13/19/59/1382131959.db2.gz VAPADAIQGKXCJT-GOSISDBHSA-N 2 2 334.508 3.313 20 30 EGEDLP C=C(C)C[N@H+]1CC=C(CCNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001160760922 1382189330 /nfs/dbraw/zinc/18/93/30/1382189330.db2.gz IRZHTTJEHCUWGS-UHFFFAOYSA-N 2 2 327.472 3.335 20 30 EGEDLP C=C(C)C[N@@H+]1CC=C(CCNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001160760922 1382189335 /nfs/dbraw/zinc/18/93/35/1382189335.db2.gz IRZHTTJEHCUWGS-UHFFFAOYSA-N 2 2 327.472 3.335 20 30 EGEDLP C=CCCC[NH2+]CC1(CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001165637975 1383318700 /nfs/dbraw/zinc/31/87/00/1383318700.db2.gz PVRDDQIWABRRKU-SFHVURJKSA-N 2 2 346.519 3.313 20 30 EGEDLP C=CCCCCC[NH2+]CC1(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001167348902 1383606528 /nfs/dbraw/zinc/60/65/28/1383606528.db2.gz YFZOGEIDDKPKHN-SFHVURJKSA-N 2 2 346.519 3.457 20 30 EGEDLP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171528234 1384552550 /nfs/dbraw/zinc/55/25/50/1384552550.db2.gz QDWUBEPOXHXINY-OAHLLOKOSA-N 2 2 328.460 3.407 20 30 EGEDLP C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001176401908 1385577176 /nfs/dbraw/zinc/57/71/76/1385577176.db2.gz ORUWOYZTQNYZLO-SFHVURJKSA-N 2 2 348.535 3.364 20 30 EGEDLP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)CCCn1cc[nH+]c1 ZINC001177493154 1385978220 /nfs/dbraw/zinc/97/82/20/1385978220.db2.gz QMGMFZNMCGXADI-UHFFFAOYSA-N 2 2 346.519 3.238 20 30 EGEDLP C=CCC[NH2+]CCCCCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001179157904 1386413631 /nfs/dbraw/zinc/41/36/31/1386413631.db2.gz VOUOTEHEJIRYFG-UHFFFAOYSA-N 2 2 340.471 3.328 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001179776874 1386581553 /nfs/dbraw/zinc/58/15/53/1386581553.db2.gz LKKJHAPWIHXSBG-IAGOWNOFSA-N 2 2 334.508 3.209 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001179776874 1386581555 /nfs/dbraw/zinc/58/15/55/1386581555.db2.gz LKKJHAPWIHXSBG-IAGOWNOFSA-N 2 2 334.508 3.209 20 30 EGEDLP C=C(Cl)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715386002 1420083055 /nfs/dbraw/zinc/08/30/55/1420083055.db2.gz KGKDZDUVURDISE-SJCJKPOMSA-N 2 2 346.862 3.146 20 30 EGEDLP C=C(Cl)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001715563943 1420254719 /nfs/dbraw/zinc/25/47/19/1420254719.db2.gz HQVGANVFJSGOPQ-HZPDHXFCSA-N 2 2 335.879 3.247 20 30 EGEDLP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3c(C)cc(C)[nH+]c3C)C[C@@H]21 ZINC001755709871 1440903447 /nfs/dbraw/zinc/90/34/47/1440903447.db2.gz WODASCODCCQMLT-CEXWTWQISA-N 2 2 341.499 3.413 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3cccc(C#N)c3)CC2)cc1 ZINC000181471938 234198411 /nfs/dbraw/zinc/19/84/11/234198411.db2.gz VWEVSJNECUZCJX-UHFFFAOYSA-N 2 2 330.435 3.184 20 30 EGEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187367790 144157998 /nfs/dbraw/zinc/15/79/98/144157998.db2.gz MTGZZQUQHZUEII-AWEZNQCLSA-N 2 2 328.847 3.400 20 30 EGEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187367790 144157999 /nfs/dbraw/zinc/15/79/99/144157999.db2.gz MTGZZQUQHZUEII-AWEZNQCLSA-N 2 2 328.847 3.400 20 30 EGEDLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2cc(C#N)n(C)c2)c(C)c1 ZINC000359691312 167210802 /nfs/dbraw/zinc/21/08/02/167210802.db2.gz YSLMKMMZSOICTI-HXUWFJFHSA-N 2 2 333.439 3.241 20 30 EGEDLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1cccc(C#N)c1 ZINC000181441788 267182607 /nfs/dbraw/zinc/18/26/07/267182607.db2.gz UNOXWRCHVLTLGA-IBGZPJMESA-N 2 2 348.494 3.421 20 30 EGEDLP N#Cc1ccc(C[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)cc1F ZINC000449732873 268231759 /nfs/dbraw/zinc/23/17/59/268231759.db2.gz DXBQLXLHJWFKQI-UHFFFAOYSA-N 2 2 345.462 3.070 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](CO)C3CCCCC3)CC2)cc1 ZINC000539506723 314318067 /nfs/dbraw/zinc/31/80/67/314318067.db2.gz MXCRIOIVSCUHQL-OAQYLSRUSA-N 2 2 341.499 3.053 20 30 EGEDLP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000580208885 325218502 /nfs/dbraw/zinc/21/85/02/325218502.db2.gz PURSKUSBWZGBEQ-UHFFFAOYSA-N 2 2 331.423 3.449 20 30 EGEDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000246334363 455473487 /nfs/dbraw/zinc/47/34/87/455473487.db2.gz BUYLVLUHFMTFHQ-KBXCAEBGSA-N 2 2 326.469 3.015 20 30 EGEDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000246334363 455473491 /nfs/dbraw/zinc/47/34/91/455473491.db2.gz BUYLVLUHFMTFHQ-KBXCAEBGSA-N 2 2 326.469 3.015 20 30 EGEDLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)CC1 ZINC000277099123 456678712 /nfs/dbraw/zinc/67/87/12/456678712.db2.gz GKISAQJDCNUGPC-OAHLLOKOSA-N 2 2 336.277 3.237 20 30 EGEDLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)CC1 ZINC000277099123 456678719 /nfs/dbraw/zinc/67/87/19/456678719.db2.gz GKISAQJDCNUGPC-OAHLLOKOSA-N 2 2 336.277 3.237 20 30 EGEDLP CCc1nc(C)c(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000291765985 456749820 /nfs/dbraw/zinc/74/98/20/456749820.db2.gz NEQDLCYXCWZYMX-UHFFFAOYSA-N 2 2 338.455 3.171 20 30 EGEDLP C=C(C)C[NH+]1CCC(Nc2[nH+]cnc3c2cnn3-c2ccccc2)CC1 ZINC000301168890 456811712 /nfs/dbraw/zinc/81/17/12/456811712.db2.gz IVOCVKXBXHZDAQ-UHFFFAOYSA-N 2 2 348.454 3.268 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(C(C)C)nc3sc(C)nn23)CC1 ZINC000346696675 457117670 /nfs/dbraw/zinc/11/76/70/457117670.db2.gz SZAWZGORFSYTDH-UHFFFAOYSA-N 2 2 347.532 3.353 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352526859 457439749 /nfs/dbraw/zinc/43/97/49/457439749.db2.gz SQMTZRFMWGCXAW-HNNXBMFYSA-N 2 2 333.501 3.107 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352526859 457439755 /nfs/dbraw/zinc/43/97/55/457439755.db2.gz SQMTZRFMWGCXAW-HNNXBMFYSA-N 2 2 333.501 3.107 20 30 EGEDLP N#C[C@@H]1CC[C@@H]([NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000442777862 459034602 /nfs/dbraw/zinc/03/46/02/459034602.db2.gz AMYUGQBGEDSNNG-SJLPKXTDSA-N 2 2 346.906 3.134 20 30 EGEDLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CCOCC1)c1ccccc1 ZINC000562463008 459566478 /nfs/dbraw/zinc/56/64/78/459566478.db2.gz IIESWONPFNCYNX-YQVWRLOYSA-N 2 2 327.472 3.168 20 30 EGEDLP N#Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000602484704 459962097 /nfs/dbraw/zinc/96/20/97/459962097.db2.gz LYEJRZZBYZDHFV-SIKLNZKXSA-N 2 2 346.478 3.440 20 30 EGEDLP N#Cc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000602484704 459962104 /nfs/dbraw/zinc/96/21/04/459962104.db2.gz LYEJRZZBYZDHFV-SIKLNZKXSA-N 2 2 346.478 3.440 20 30 EGEDLP N#Cc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000602484704 459962112 /nfs/dbraw/zinc/96/21/12/459962112.db2.gz LYEJRZZBYZDHFV-SIKLNZKXSA-N 2 2 346.478 3.440 20 30 EGEDLP N#Cc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000602484704 459962117 /nfs/dbraw/zinc/96/21/17/459962117.db2.gz LYEJRZZBYZDHFV-SIKLNZKXSA-N 2 2 346.478 3.440 20 30 EGEDLP C=CCC1([NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CCCC1 ZINC000661849059 462437626 /nfs/dbraw/zinc/43/76/26/462437626.db2.gz RSWBACNVAAQXDW-QGZVFWFLSA-N 2 2 327.472 3.493 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000652151357 462452444 /nfs/dbraw/zinc/45/24/44/462452444.db2.gz QXSGRXQLPKIPOZ-KRWDZBQOSA-N 2 2 348.487 3.404 20 30 EGEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc(Br)c2OC)CC1 ZINC000187220363 526451091 /nfs/dbraw/zinc/45/10/91/526451091.db2.gz UJXRSONGDSCQCB-UHFFFAOYSA-N 2 2 339.277 3.198 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ncc(Br)cc2F)CC1 ZINC000187178036 526454477 /nfs/dbraw/zinc/45/44/77/526454477.db2.gz YEFIAYBLLIIZRS-LLVKDONJSA-N 2 2 342.256 3.284 20 30 EGEDLP CC(C)COCCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181420226 528093718 /nfs/dbraw/zinc/09/37/18/528093718.db2.gz YLQWMSYZMZRDBV-UHFFFAOYSA-N 2 2 329.488 3.175 20 30 EGEDLP C[NH+]=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCc2ccccc21 ZINC000103903358 1293017394 /nfs/dbraw/zinc/01/73/94/1293017394.db2.gz HGFKUCVCSUTNDB-SFHVURJKSA-N 2 2 338.455 3.055 20 30 EGEDLP Cc1cc(C)cc(NC(=[NH2+])NC[C@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000104155312 1293018716 /nfs/dbraw/zinc/01/87/16/1293018716.db2.gz UQHKJNLUYVQHHN-GOSISDBHSA-N 2 2 328.435 3.472 20 30 EGEDLP C=CCc1cc(OCC)cc(C[N@H+](C)CCCn2cc[nH+]c2)c1O ZINC000130589192 1293662515 /nfs/dbraw/zinc/66/25/15/1293662515.db2.gz NCYTUXWCMNDZSS-UHFFFAOYSA-N 2 2 329.444 3.238 20 30 EGEDLP C=CCc1cc(OCC)cc(C[N@@H+](C)CCCn2cc[nH+]c2)c1O ZINC000130589192 1293662516 /nfs/dbraw/zinc/66/25/16/1293662516.db2.gz NCYTUXWCMNDZSS-UHFFFAOYSA-N 2 2 329.444 3.238 20 30 EGEDLP CC[NH+]=C(NCC1(C2CC2)CCC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261995277 1296615076 /nfs/dbraw/zinc/61/50/76/1296615076.db2.gz SFPYGRRYQAIXTG-WMZOPIPTSA-N 2 2 343.519 3.312 20 30 EGEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000695861812 1298162529 /nfs/dbraw/zinc/16/25/29/1298162529.db2.gz BXMTZEDCMDAKMC-PKOBYXMFSA-N 2 2 329.488 3.195 20 30 EGEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000695861812 1298162531 /nfs/dbraw/zinc/16/25/31/1298162531.db2.gz BXMTZEDCMDAKMC-PKOBYXMFSA-N 2 2 329.488 3.195 20 30 EGEDLP C=CCC[NH+]1CCC2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)CC1 ZINC000957614789 1317497841 /nfs/dbraw/zinc/49/78/41/1317497841.db2.gz OGGNBBBWCBPBGC-GOSISDBHSA-N 2 2 344.503 3.115 20 30 EGEDLP C=C(C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021612866 1318459160 /nfs/dbraw/zinc/45/91/60/1318459160.db2.gz HDKGRZDJYOLORZ-BEFAXECRSA-N 2 2 338.455 3.066 20 30 EGEDLP C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021612866 1318459167 /nfs/dbraw/zinc/45/91/67/1318459167.db2.gz HDKGRZDJYOLORZ-BEFAXECRSA-N 2 2 338.455 3.066 20 30 EGEDLP CC(C)(C)[NH+]=C(NCCCCn1cc[nH+]c1)NCCc1cccs1 ZINC000912506775 1318894127 /nfs/dbraw/zinc/89/41/27/1318894127.db2.gz BVVVPRIATWOLPB-UHFFFAOYSA-N 2 2 347.532 3.301 20 30 EGEDLP CC(C)(C)[NH+]=C(NCCCCn1cc[nH+]c1)NCc1cccs1 ZINC000912507197 1318894279 /nfs/dbraw/zinc/89/42/79/1318894279.db2.gz XFWJQMOQNPYVJW-UHFFFAOYSA-N 2 2 333.505 3.259 20 30 EGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000815652712 1319038196 /nfs/dbraw/zinc/03/81/96/1319038196.db2.gz OQRQUDCIWLBWQH-GOSISDBHSA-N 2 2 338.499 3.403 20 30 EGEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000815652712 1319038202 /nfs/dbraw/zinc/03/82/02/1319038202.db2.gz OQRQUDCIWLBWQH-GOSISDBHSA-N 2 2 338.499 3.403 20 30 EGEDLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C#N)ccc2Br)C1 ZINC000921619219 1322364930 /nfs/dbraw/zinc/36/49/30/1322364930.db2.gz NMYUXFDEXFZONC-CQSZACIVSA-N 2 2 336.277 3.141 20 30 EGEDLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(C#N)ccc2Br)C1 ZINC000921619219 1322364935 /nfs/dbraw/zinc/36/49/35/1322364935.db2.gz NMYUXFDEXFZONC-CQSZACIVSA-N 2 2 336.277 3.141 20 30 EGEDLP C[C@H](CC(C)(C)C#N)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000924611781 1323074890 /nfs/dbraw/zinc/07/48/90/1323074890.db2.gz GVEXDERAAAWGRW-GOSISDBHSA-N 2 2 328.504 3.117 20 30 EGEDLP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001024737286 1323636833 /nfs/dbraw/zinc/63/68/33/1323636833.db2.gz HUKIDJOYDWNYBS-LJQANCHMSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001024737286 1323636840 /nfs/dbraw/zinc/63/68/40/1323636840.db2.gz HUKIDJOYDWNYBS-LJQANCHMSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000968920571 1336090055 /nfs/dbraw/zinc/09/00/55/1336090055.db2.gz WMXJVMDUUBQUCJ-HNNXBMFYSA-N 2 2 346.862 3.290 20 30 EGEDLP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000968920571 1336090059 /nfs/dbraw/zinc/09/00/59/1336090059.db2.gz WMXJVMDUUBQUCJ-HNNXBMFYSA-N 2 2 346.862 3.290 20 30 EGEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@@H]1C ZINC001071712508 1354871224 /nfs/dbraw/zinc/87/12/24/1354871224.db2.gz PGOIKRMYSCARBP-FUHWJXTLSA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@@H]1C ZINC001071712508 1354871226 /nfs/dbraw/zinc/87/12/26/1354871226.db2.gz PGOIKRMYSCARBP-FUHWJXTLSA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039208256 1344920710 /nfs/dbraw/zinc/92/07/10/1344920710.db2.gz BOBAIMBJXXFKDL-IEBWSBKVSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039208256 1344920714 /nfs/dbraw/zinc/92/07/14/1344920714.db2.gz BOBAIMBJXXFKDL-IEBWSBKVSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039208256 1344920717 /nfs/dbraw/zinc/92/07/17/1344920717.db2.gz BOBAIMBJXXFKDL-IEBWSBKVSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039208256 1344920721 /nfs/dbraw/zinc/92/07/21/1344920721.db2.gz BOBAIMBJXXFKDL-IEBWSBKVSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC001086946040 1359267109 /nfs/dbraw/zinc/26/71/09/1359267109.db2.gz ONMWZXDDBUHZAS-ZWKOTPCHSA-N 2 2 344.503 3.113 20 30 EGEDLP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001089654447 1360567323 /nfs/dbraw/zinc/56/73/23/1360567323.db2.gz ZOCVIOLELAWBBJ-GVDBMIGSSA-N 2 2 344.503 3.086 20 30 EGEDLP C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001089654447 1360567326 /nfs/dbraw/zinc/56/73/26/1360567326.db2.gz ZOCVIOLELAWBBJ-GVDBMIGSSA-N 2 2 344.503 3.086 20 30 EGEDLP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001089654447 1360567329 /nfs/dbraw/zinc/56/73/29/1360567329.db2.gz ZOCVIOLELAWBBJ-GVDBMIGSSA-N 2 2 344.503 3.086 20 30 EGEDLP C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001089654447 1360567330 /nfs/dbraw/zinc/56/73/30/1360567330.db2.gz ZOCVIOLELAWBBJ-GVDBMIGSSA-N 2 2 344.503 3.086 20 30 EGEDLP CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001184532471 1387485921 /nfs/dbraw/zinc/48/59/21/1387485921.db2.gz AAKGKCKVXYGADQ-MSOLQXFVSA-N 2 2 348.535 3.387 20 30 EGEDLP CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001184532471 1387485924 /nfs/dbraw/zinc/48/59/24/1387485924.db2.gz AAKGKCKVXYGADQ-MSOLQXFVSA-N 2 2 348.535 3.387 20 30 EGEDLP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001099117088 1363633158 /nfs/dbraw/zinc/63/31/58/1363633158.db2.gz ZKNFVTPVZKUSBR-ZWKOTPCHSA-N 2 2 346.519 3.263 20 30 EGEDLP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001099117088 1363633161 /nfs/dbraw/zinc/63/31/61/1363633161.db2.gz ZKNFVTPVZKUSBR-ZWKOTPCHSA-N 2 2 346.519 3.263 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001101214066 1364466031 /nfs/dbraw/zinc/46/60/31/1364466031.db2.gz MDXVTBHGCNWLRD-XLIONFOSSA-N 2 2 346.519 3.093 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001101214066 1364466033 /nfs/dbraw/zinc/46/60/33/1364466033.db2.gz MDXVTBHGCNWLRD-XLIONFOSSA-N 2 2 346.519 3.093 20 30 EGEDLP C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001101546484 1364610534 /nfs/dbraw/zinc/61/05/34/1364610534.db2.gz CWTUXMRRXRZDSJ-UHFFFAOYSA-N 2 2 346.519 3.163 20 30 EGEDLP C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001101546484 1364610537 /nfs/dbraw/zinc/61/05/37/1364610537.db2.gz CWTUXMRRXRZDSJ-UHFFFAOYSA-N 2 2 346.519 3.163 20 30 EGEDLP C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001101579662 1364632775 /nfs/dbraw/zinc/63/27/75/1364632775.db2.gz QQGINZKQKZAZRL-KRWDZBQOSA-N 2 2 346.519 3.265 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102454670 1365064593 /nfs/dbraw/zinc/06/45/93/1365064593.db2.gz NSYBEDIBQGEOPL-KZNAEPCWSA-N 2 2 346.519 3.019 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102454670 1365064598 /nfs/dbraw/zinc/06/45/98/1365064598.db2.gz NSYBEDIBQGEOPL-KZNAEPCWSA-N 2 2 346.519 3.019 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102454670 1365064602 /nfs/dbraw/zinc/06/46/02/1365064602.db2.gz NSYBEDIBQGEOPL-KZNAEPCWSA-N 2 2 346.519 3.019 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102454670 1365064607 /nfs/dbraw/zinc/06/46/07/1365064607.db2.gz NSYBEDIBQGEOPL-KZNAEPCWSA-N 2 2 346.519 3.019 20 30 EGEDLP C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)CCC1 ZINC001105532090 1366513639 /nfs/dbraw/zinc/51/36/39/1366513639.db2.gz GIWAEIGBVJBNCB-KRWDZBQOSA-N 2 2 344.503 3.059 20 30 EGEDLP CCCCCCC[NH2+]C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001201588917 1369583481 /nfs/dbraw/zinc/58/34/81/1369583481.db2.gz QLKUIQSWGXQZHC-UHFFFAOYSA-N 2 2 342.487 3.499 20 30 EGEDLP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C12CCC2 ZINC001203077498 1369974907 /nfs/dbraw/zinc/97/49/07/1369974907.db2.gz FCDCMUWLHBSAEP-MSOLQXFVSA-N 2 2 338.455 3.160 20 30 EGEDLP C=C(C)CC[NH2+]CC1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001205731122 1370854026 /nfs/dbraw/zinc/85/40/26/1370854026.db2.gz BCPUEBRGPDSONQ-UHFFFAOYSA-N 2 2 329.488 3.415 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001214947576 1373146403 /nfs/dbraw/zinc/14/64/03/1373146403.db2.gz AVOPZNXDKUMEAE-SJLPKXTDSA-N 2 2 348.535 3.334 20 30 EGEDLP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001135679561 1377182133 /nfs/dbraw/zinc/18/21/33/1377182133.db2.gz NPHXGNGPLSCCRJ-SJORKVTESA-N 2 2 342.487 3.024 20 30 EGEDLP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001135680447 1377182199 /nfs/dbraw/zinc/18/21/99/1377182199.db2.gz WCRTXEWYLVAMDQ-IAGOWNOFSA-N 2 2 342.487 3.024 20 30 EGEDLP CCCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001136056787 1377317004 /nfs/dbraw/zinc/31/70/04/1377317004.db2.gz VDBBGWIGCDSNDS-IAGOWNOFSA-N 2 2 336.524 3.196 20 30 EGEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@@H]21 ZINC001139405848 1377880292 /nfs/dbraw/zinc/88/02/92/1377880292.db2.gz CYBSINFVTMQJQQ-FPOVZHCZSA-N 2 2 332.451 3.146 20 30 EGEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@@H]21 ZINC001139405848 1377880293 /nfs/dbraw/zinc/88/02/93/1377880293.db2.gz CYBSINFVTMQJQQ-FPOVZHCZSA-N 2 2 332.451 3.146 20 30 EGEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@@H]21 ZINC001139405848 1377880294 /nfs/dbraw/zinc/88/02/94/1377880294.db2.gz CYBSINFVTMQJQQ-FPOVZHCZSA-N 2 2 332.451 3.146 20 30 EGEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@@H]21 ZINC001139405848 1377880295 /nfs/dbraw/zinc/88/02/95/1377880295.db2.gz CYBSINFVTMQJQQ-FPOVZHCZSA-N 2 2 332.451 3.146 20 30 EGEDLP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001153677775 1380113793 /nfs/dbraw/zinc/11/37/93/1380113793.db2.gz NATLXMZPZGWAES-CYBMUJFWSA-N 2 2 343.924 3.002 20 30 EGEDLP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001153677775 1380113795 /nfs/dbraw/zinc/11/37/95/1380113795.db2.gz NATLXMZPZGWAES-CYBMUJFWSA-N 2 2 343.924 3.002 20 30 EGEDLP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001156149829 1380531493 /nfs/dbraw/zinc/53/14/93/1380531493.db2.gz ZXUUMBFJGUFKPC-QGZVFWFLSA-N 2 2 340.471 3.279 20 30 EGEDLP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001156149829 1380531494 /nfs/dbraw/zinc/53/14/94/1380531494.db2.gz ZXUUMBFJGUFKPC-QGZVFWFLSA-N 2 2 340.471 3.279 20 30 EGEDLP C=CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001158468356 1381253809 /nfs/dbraw/zinc/25/38/09/1381253809.db2.gz UEVRMBIINBTGCB-SJORKVTESA-N 2 2 344.503 3.109 20 30 EGEDLP C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001158468356 1381253812 /nfs/dbraw/zinc/25/38/12/1381253812.db2.gz UEVRMBIINBTGCB-SJORKVTESA-N 2 2 344.503 3.109 20 30 EGEDLP Cc1ccc(CC#N)c(N2CCC([N@@H+]3CCc4ccccc4C3)CC2)[nH+]1 ZINC001165155398 1383238493 /nfs/dbraw/zinc/23/84/93/1383238493.db2.gz XMPRTVYUHXGZDV-UHFFFAOYSA-N 2 2 346.478 3.483 20 30 EGEDLP Cc1ccc(CC#N)c(N2CCC([N@H+]3CCc4ccccc4C3)CC2)[nH+]1 ZINC001165155398 1383238496 /nfs/dbraw/zinc/23/84/96/1383238496.db2.gz XMPRTVYUHXGZDV-UHFFFAOYSA-N 2 2 346.478 3.483 20 30 EGEDLP C=CCc1cc(C)c[nH+]c1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167426214 1383631197 /nfs/dbraw/zinc/63/11/97/1383631197.db2.gz BWDYCYLHWHCZDH-UHFFFAOYSA-N 2 2 336.483 3.482 20 30 EGEDLP C=CCOC1CCC(N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)CC1 ZINC001173325948 1384959338 /nfs/dbraw/zinc/95/93/38/1384959338.db2.gz UKCKJQNVQMIDOH-UHFFFAOYSA-N 2 2 333.451 3.293 20 30 EGEDLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](C1CCC(C)(C#N)CC1)CC2 ZINC001173595750 1384984053 /nfs/dbraw/zinc/98/40/53/1384984053.db2.gz VQMQIMIPBWDXQY-UHFFFAOYSA-N 2 2 343.519 3.356 20 30 EGEDLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](C1CCC(C)(C#N)CC1)CC2 ZINC001173595750 1384984056 /nfs/dbraw/zinc/98/40/56/1384984056.db2.gz VQMQIMIPBWDXQY-UHFFFAOYSA-N 2 2 343.519 3.356 20 30 EGEDLP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001177436732 1385956548 /nfs/dbraw/zinc/95/65/48/1385956548.db2.gz INVLHDROALLRGB-QGZVFWFLSA-N 2 2 346.519 3.163 20 30 EGEDLP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001177436732 1385956549 /nfs/dbraw/zinc/95/65/49/1385956549.db2.gz INVLHDROALLRGB-QGZVFWFLSA-N 2 2 346.519 3.163 20 30 EGEDLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CCOc2cccc(C#N)c2)[nH+]1 ZINC001319605826 1386204996 /nfs/dbraw/zinc/20/49/96/1386204996.db2.gz FDRPYIIAFLFMFB-SFHVURJKSA-N 2 2 336.439 3.217 20 30 EGEDLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CCOc2cccc(C#N)c2)[nH+]1 ZINC001319605826 1386204999 /nfs/dbraw/zinc/20/49/99/1386204999.db2.gz FDRPYIIAFLFMFB-SFHVURJKSA-N 2 2 336.439 3.217 20 30 EGEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001732070198 1428317877 /nfs/dbraw/zinc/31/78/77/1428317877.db2.gz CNTKEBQJZBBTGO-INIZCTEOSA-N 2 2 343.943 3.030 20 30 EGEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001732070198 1428317880 /nfs/dbraw/zinc/31/78/80/1428317880.db2.gz CNTKEBQJZBBTGO-INIZCTEOSA-N 2 2 343.943 3.030 20 30 EGEDLP C=C(Cl)C[NH+]1CC[C@H](N(CCC)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001732070198 1428317882 /nfs/dbraw/zinc/31/78/82/1428317882.db2.gz CNTKEBQJZBBTGO-INIZCTEOSA-N 2 2 343.943 3.030 20 30 EGEDLP C=C(Cl)C[NH+]1CC[C@H](N(CCC)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001732070198 1428317884 /nfs/dbraw/zinc/31/78/84/1428317884.db2.gz CNTKEBQJZBBTGO-INIZCTEOSA-N 2 2 343.943 3.030 20 30 EGEDLP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001717539582 1421479212 /nfs/dbraw/zinc/47/92/12/1421479212.db2.gz YLIHMESCWINYQC-MRXNPFEDSA-N 2 2 343.943 3.078 20 30 EGEDLP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001717539582 1421479214 /nfs/dbraw/zinc/47/92/14/1421479214.db2.gz YLIHMESCWINYQC-MRXNPFEDSA-N 2 2 343.943 3.078 20 30 EGEDLP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001717539582 1421479217 /nfs/dbraw/zinc/47/92/17/1421479217.db2.gz YLIHMESCWINYQC-MRXNPFEDSA-N 2 2 343.943 3.078 20 30 EGEDLP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001717539582 1421479210 /nfs/dbraw/zinc/47/92/10/1421479210.db2.gz YLIHMESCWINYQC-MRXNPFEDSA-N 2 2 343.943 3.078 20 30 EGEDLP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001752992448 1440259866 /nfs/dbraw/zinc/25/98/66/1440259866.db2.gz MJXONXMQGLMXCG-DOTOQJQBSA-N 2 2 340.471 3.454 20 30 EGEDLP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001752992448 1440259867 /nfs/dbraw/zinc/25/98/67/1440259867.db2.gz MJXONXMQGLMXCG-DOTOQJQBSA-N 2 2 340.471 3.454 20 30 EGEDLP C=C(C)C[NH2+]C[C@H](NC(=O)c1cccc2[nH+]ccn21)C1CCCCC1 ZINC001753746806 1440481243 /nfs/dbraw/zinc/48/12/43/1440481243.db2.gz CUAVTWIBPTUQKF-KRWDZBQOSA-N 2 2 340.471 3.179 20 30 EGEDLP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001755848822 1440934269 /nfs/dbraw/zinc/93/42/69/1440934269.db2.gz MIGIKCJBLMQMBR-PKOBYXMFSA-N 2 2 346.519 3.263 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3COc4ccccc4C3)CC2)cc1 ZINC000181622177 234256006 /nfs/dbraw/zinc/25/60/06/234256006.db2.gz HBTYRNACVDGKQV-OAQYLSRUSA-N 2 2 347.462 3.116 20 30 EGEDLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc(C#N)c1 ZINC000181530592 533452791 /nfs/dbraw/zinc/45/27/91/533452791.db2.gz WZDZPWRIDFESDO-QGZVFWFLSA-N 2 2 335.451 3.241 20 30 EGEDLP CSc1ccc([C@H](CNc2cc(C)[nH+]cc2C#N)[NH+](C)C)cc1 ZINC000425265408 270049307 /nfs/dbraw/zinc/04/93/07/270049307.db2.gz DHXSVPJMEVTLNJ-SFHVURJKSA-N 2 2 326.469 3.120 20 30 EGEDLP C[C@@]1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCC[C@H]1O ZINC000271876019 267115764 /nfs/dbraw/zinc/11/57/64/267115764.db2.gz OBWSJDRSQLGQOP-RTWAWAEBSA-N 2 2 341.499 3.053 20 30 EGEDLP CCO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000449760772 267146942 /nfs/dbraw/zinc/14/69/42/267146942.db2.gz REISDZVDZZVTQZ-NHCUHLMSSA-N 2 2 341.499 3.460 20 30 EGEDLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437628226 267302741 /nfs/dbraw/zinc/30/27/41/267302741.db2.gz LSCNGARMEUWQMT-INIZCTEOSA-N 2 2 349.425 3.323 20 30 EGEDLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437628226 267302742 /nfs/dbraw/zinc/30/27/42/267302742.db2.gz LSCNGARMEUWQMT-INIZCTEOSA-N 2 2 349.425 3.323 20 30 EGEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437628226 267302743 /nfs/dbraw/zinc/30/27/43/267302743.db2.gz LSCNGARMEUWQMT-INIZCTEOSA-N 2 2 349.425 3.323 20 30 EGEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437628226 267302744 /nfs/dbraw/zinc/30/27/44/267302744.db2.gz LSCNGARMEUWQMT-INIZCTEOSA-N 2 2 349.425 3.323 20 30 EGEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2C#N)[C@H](C)C1 ZINC000189993909 455268374 /nfs/dbraw/zinc/26/83/74/455268374.db2.gz BNXPTCQAMLBEGO-BEFAXECRSA-N 2 2 349.906 3.438 20 30 EGEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2C#N)[C@H](C)C1 ZINC000189993909 455268376 /nfs/dbraw/zinc/26/83/76/455268376.db2.gz BNXPTCQAMLBEGO-BEFAXECRSA-N 2 2 349.906 3.438 20 30 EGEDLP C=CCc1cc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc(OC)c1O ZINC000091960231 454496393 /nfs/dbraw/zinc/49/63/93/454496393.db2.gz ZOORBVLCWJIVIH-YJBOKZPZSA-N 2 2 341.455 3.409 20 30 EGEDLP C=CCc1cc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc(OC)c1O ZINC000091960231 454496396 /nfs/dbraw/zinc/49/63/96/454496396.db2.gz ZOORBVLCWJIVIH-YJBOKZPZSA-N 2 2 341.455 3.409 20 30 EGEDLP [NH2+]=C(NCc1cccnc1-n1cc[nH+]c1)Nc1cccc2c1CCCC2 ZINC000178421660 454954753 /nfs/dbraw/zinc/95/47/53/454954753.db2.gz QBZNYWRNBGUOAX-UHFFFAOYSA-N 2 2 346.438 3.073 20 30 EGEDLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cn1 ZINC000237599980 455197480 /nfs/dbraw/zinc/19/74/80/455197480.db2.gz RRBAXACWYHCALW-OAHLLOKOSA-N 2 2 347.422 3.156 20 30 EGEDLP CN(C)c1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181416155 455331813 /nfs/dbraw/zinc/33/18/13/455331813.db2.gz WYHIMLAOONROCB-UHFFFAOYSA-N 2 2 348.494 3.378 20 30 EGEDLP Cn1cc(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1C#N ZINC000190705758 455370948 /nfs/dbraw/zinc/37/09/48/455370948.db2.gz HXSWYIPRNBGWNV-UHFFFAOYSA-N 2 2 342.874 3.304 20 30 EGEDLP CC1(C)CCC[C@@]1(O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000292961697 455767561 /nfs/dbraw/zinc/76/75/61/455767561.db2.gz LMLNXSSTPFHTFZ-OAQYLSRUSA-N 2 2 341.499 3.053 20 30 EGEDLP C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278702170 455845873 /nfs/dbraw/zinc/84/58/73/455845873.db2.gz TVTVCNZTADIGMY-JOCHJYFZSA-N 2 2 349.478 3.281 20 30 EGEDLP C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278702170 455845875 /nfs/dbraw/zinc/84/58/75/455845875.db2.gz TVTVCNZTADIGMY-JOCHJYFZSA-N 2 2 349.478 3.281 20 30 EGEDLP C[NH+](Cc1ccc(C#N)cc1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278702170 455845877 /nfs/dbraw/zinc/84/58/77/455845877.db2.gz TVTVCNZTADIGMY-JOCHJYFZSA-N 2 2 349.478 3.281 20 30 EGEDLP C[NH+](Cc1ccc(C#N)cc1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000278702170 455845882 /nfs/dbraw/zinc/84/58/82/455845882.db2.gz TVTVCNZTADIGMY-JOCHJYFZSA-N 2 2 349.478 3.281 20 30 EGEDLP CC(C)C[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000285597852 455878211 /nfs/dbraw/zinc/87/82/11/455878211.db2.gz JPGZTJDUBUTBTA-FQEVSTJZSA-N 2 2 328.504 3.093 20 30 EGEDLP COc1cc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)ccc1C#N ZINC000281633939 456279754 /nfs/dbraw/zinc/27/97/54/456279754.db2.gz IMIBQCYTJPWZEO-UHFFFAOYSA-N 2 2 334.423 3.176 20 30 EGEDLP C=C(C)COc1cc(C[N@H+](C)CCCn2cc[nH+]c2)ccc1OC ZINC000290647558 456394311 /nfs/dbraw/zinc/39/43/11/456394311.db2.gz YZEAUDKGLRTFJS-UHFFFAOYSA-N 2 2 329.444 3.369 20 30 EGEDLP C=C(C)COc1cc(C[N@@H+](C)CCCn2cc[nH+]c2)ccc1OC ZINC000290647558 456394320 /nfs/dbraw/zinc/39/43/20/456394320.db2.gz YZEAUDKGLRTFJS-UHFFFAOYSA-N 2 2 329.444 3.369 20 30 EGEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)CCC2 ZINC000328662988 456731882 /nfs/dbraw/zinc/73/18/82/456731882.db2.gz XSCHFVKRRLNNHS-DOTOQJQBSA-N 2 2 330.476 3.432 20 30 EGEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)CCC2 ZINC000328662988 456731887 /nfs/dbraw/zinc/73/18/87/456731887.db2.gz XSCHFVKRRLNNHS-DOTOQJQBSA-N 2 2 330.476 3.432 20 30 EGEDLP CCC[N@H+](Cc1ncc(C[NH+](C)C)s1)Cc1ccc(C#N)cc1 ZINC000347578999 457522842 /nfs/dbraw/zinc/52/28/42/457522842.db2.gz DTCDRBJOJRILJD-UHFFFAOYSA-N 2 2 328.485 3.489 20 30 EGEDLP CCC[N@@H+](Cc1ncc(C[NH+](C)C)s1)Cc1ccc(C#N)cc1 ZINC000347578999 457522847 /nfs/dbraw/zinc/52/28/47/457522847.db2.gz DTCDRBJOJRILJD-UHFFFAOYSA-N 2 2 328.485 3.489 20 30 EGEDLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000361457017 457737776 /nfs/dbraw/zinc/73/77/76/457737776.db2.gz PLKPBQJRVUQJLD-CYBMUJFWSA-N 2 2 325.378 3.311 20 30 EGEDLP CCCCCCCCCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369274234 458153429 /nfs/dbraw/zinc/15/34/29/458153429.db2.gz NMXNZALOYVFXQX-SFHVURJKSA-N 2 2 337.552 3.412 20 30 EGEDLP CCCCCCCCCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369274234 458153432 /nfs/dbraw/zinc/15/34/32/458153432.db2.gz NMXNZALOYVFXQX-SFHVURJKSA-N 2 2 337.552 3.412 20 30 EGEDLP C=CC[NH+](CC=C)[C@@H](CNc1cc(N2CCCC2)[nH+]cn1)C(C)C ZINC000358803243 458226883 /nfs/dbraw/zinc/22/68/83/458226883.db2.gz GXGCLQWQVVRLPJ-KRWDZBQOSA-N 2 2 329.492 3.187 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000496574496 459245850 /nfs/dbraw/zinc/24/58/50/459245850.db2.gz VYTJRIIMEVVCCP-SJORKVTESA-N 2 2 337.508 3.062 20 30 EGEDLP C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000579473912 459247021 /nfs/dbraw/zinc/24/70/21/459247021.db2.gz SCKZMNMJEAQMQF-QZTJIDSGSA-N 2 2 330.472 3.367 20 30 EGEDLP C=CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000579473912 459247028 /nfs/dbraw/zinc/24/70/28/459247028.db2.gz SCKZMNMJEAQMQF-QZTJIDSGSA-N 2 2 330.472 3.367 20 30 EGEDLP C#C[C@H](Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)c1ccc(F)cc1 ZINC000491683360 459653671 /nfs/dbraw/zinc/65/36/71/459653671.db2.gz XZVRBWBQTGILMD-KRWDZBQOSA-N 2 2 344.353 3.136 20 30 EGEDLP C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CCC[NH+]1CCCC1 ZINC000499911750 459657978 /nfs/dbraw/zinc/65/79/78/459657978.db2.gz GBNVQGYLJUCKBZ-UHFFFAOYSA-N 2 2 340.389 3.354 20 30 EGEDLP C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CCC[NH+]1CCCC1 ZINC000499911750 459657983 /nfs/dbraw/zinc/65/79/83/459657983.db2.gz GBNVQGYLJUCKBZ-UHFFFAOYSA-N 2 2 340.389 3.354 20 30 EGEDLP C[C@@H](CC1CCOCC1)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593703894 459957843 /nfs/dbraw/zinc/95/78/43/459957843.db2.gz XXZALSWDTICJPS-KRWDZBQOSA-N 2 2 341.499 3.317 20 30 EGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)c1cncs1 ZINC000593719341 459962043 /nfs/dbraw/zinc/96/20/43/459962043.db2.gz CANNGRCEAJSGEG-CQSZACIVSA-N 2 2 326.469 3.330 20 30 EGEDLP CC1(C)C[C@@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)C(C)(C)O1 ZINC000593723795 459964134 /nfs/dbraw/zinc/96/41/34/459964134.db2.gz ZHLAJIOFOOQJNG-LJQANCHMSA-N 2 2 341.499 3.458 20 30 EGEDLP COC1CC[NH+](CC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000619508435 460371100 /nfs/dbraw/zinc/37/11/00/460371100.db2.gz WGEZCSZHUOFCPO-FQEVSTJZSA-N 2 2 327.472 3.026 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000152962067 526605707 /nfs/dbraw/zinc/60/57/07/526605707.db2.gz YMLBPANGWINJKR-NQIIRXRSSA-N 2 2 327.516 3.280 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc3c(C)nn(C)c3nc2Cl)CC1 ZINC000730019554 574905016 /nfs/dbraw/zinc/90/50/16/574905016.db2.gz KVSZSPJTIRMSIX-UHFFFAOYSA-N 2 2 347.894 3.060 20 30 EGEDLP C#CCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000734159444 575449502 /nfs/dbraw/zinc/44/95/02/575449502.db2.gz ODTXVZVJPJUZFZ-OAQYLSRUSA-N 2 2 334.463 3.453 20 30 EGEDLP C#CCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000734159444 575449506 /nfs/dbraw/zinc/44/95/06/575449506.db2.gz ODTXVZVJPJUZFZ-OAQYLSRUSA-N 2 2 334.463 3.453 20 30 EGEDLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cccc(C#N)c3)CC2)cc1 ZINC000174564722 1294507705 /nfs/dbraw/zinc/50/77/05/1294507705.db2.gz OYFWBMLZFZOIHS-UHFFFAOYSA-N 2 2 334.467 3.383 20 30 EGEDLP Cc1ccc(NC(=[NH2+])NCC[N@@H+]2CCc3sccc3C2)cc1C ZINC000262002095 1296614345 /nfs/dbraw/zinc/61/43/45/1296614345.db2.gz QDQXCOVXCSLMTL-UHFFFAOYSA-N 2 2 328.485 3.150 20 30 EGEDLP Cc1ccc(NC(=[NH2+])NCC[N@H+]2CCc3sccc3C2)cc1C ZINC000262002095 1296614354 /nfs/dbraw/zinc/61/43/54/1296614354.db2.gz QDQXCOVXCSLMTL-UHFFFAOYSA-N 2 2 328.485 3.150 20 30 EGEDLP CCC(CC)[C@H](CNC(=[NH2+])Nc1cc(C)cc(C)c1)[NH+]1CCOCC1 ZINC000303771988 1296850836 /nfs/dbraw/zinc/85/08/36/1296850836.db2.gz DEZLGLHWZHPLEV-IBGZPJMESA-N 2 2 346.519 3.167 20 30 EGEDLP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000303875519 1296864977 /nfs/dbraw/zinc/86/49/77/1296864977.db2.gz DLWYQGHJRZWMCM-SFHVURJKSA-N 2 2 328.435 3.472 20 30 EGEDLP COc1ccc(NC(=[NH2+])NCCCCNc2cccc[nH+]2)cc1Cl ZINC000303988130 1296888058 /nfs/dbraw/zinc/88/80/58/1296888058.db2.gz WGLWSVVTJYXBNP-UHFFFAOYSA-N 2 2 347.850 3.363 20 30 EGEDLP C[N@H+](CCNC(=[NH2+])Nc1ccc2c(c1)CCC2)Cc1ccc(F)cc1 ZINC000304712713 1296937270 /nfs/dbraw/zinc/93/72/70/1296937270.db2.gz MJVGTDMJWZZOBB-UHFFFAOYSA-N 2 2 340.446 3.173 20 30 EGEDLP C[N@@H+](CCNC(=[NH2+])Nc1ccc2c(c1)CCC2)Cc1ccc(F)cc1 ZINC000304712713 1296937279 /nfs/dbraw/zinc/93/72/79/1296937279.db2.gz MJVGTDMJWZZOBB-UHFFFAOYSA-N 2 2 340.446 3.173 20 30 EGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(CC(F)(F)F)s2)CC1 ZINC000892880720 1305592120 /nfs/dbraw/zinc/59/21/20/1305592120.db2.gz GXNHMDFVDGTFGY-UHFFFAOYSA-N 2 2 333.423 3.378 20 30 EGEDLP C#Cc1ccc(C[NH+]2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC000809540406 1317826275 /nfs/dbraw/zinc/82/62/75/1317826275.db2.gz AHZUSYGDHMYIOD-UHFFFAOYSA-N 2 2 334.467 3.212 20 30 EGEDLP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025290131 1324115237 /nfs/dbraw/zinc/11/52/37/1324115237.db2.gz YODBKWHEXGDEIE-IAGOWNOFSA-N 2 2 344.503 3.109 20 30 EGEDLP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025290131 1324115238 /nfs/dbraw/zinc/11/52/38/1324115238.db2.gz YODBKWHEXGDEIE-IAGOWNOFSA-N 2 2 344.503 3.109 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000966103393 1328183671 /nfs/dbraw/zinc/18/36/71/1328183671.db2.gz LOILNRHFMPTSTI-CRAIPNDOSA-N 2 2 340.471 3.049 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000966103393 1328183675 /nfs/dbraw/zinc/18/36/75/1328183675.db2.gz LOILNRHFMPTSTI-CRAIPNDOSA-N 2 2 340.471 3.049 20 30 EGEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000947877249 1333287672 /nfs/dbraw/zinc/28/76/72/1333287672.db2.gz BGYATSJXRACHLT-FUHWJXTLSA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000947877249 1333287674 /nfs/dbraw/zinc/28/76/74/1333287674.db2.gz BGYATSJXRACHLT-FUHWJXTLSA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033991937 1342134777 /nfs/dbraw/zinc/13/47/77/1342134777.db2.gz NDRIZLQCHVBNQX-GOSISDBHSA-N 2 2 349.906 3.037 20 30 EGEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033991937 1342134778 /nfs/dbraw/zinc/13/47/78/1342134778.db2.gz NDRIZLQCHVBNQX-GOSISDBHSA-N 2 2 349.906 3.037 20 30 EGEDLP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001034328033 1342402383 /nfs/dbraw/zinc/40/23/83/1342402383.db2.gz PHQCPRVLHNMTOY-GOSISDBHSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001034328033 1342402385 /nfs/dbraw/zinc/40/23/85/1342402385.db2.gz PHQCPRVLHNMTOY-GOSISDBHSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)CC[NH+]1CCC(C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001045476415 1346603183 /nfs/dbraw/zinc/60/31/83/1346603183.db2.gz NUZHWTYSBCTICO-UHFFFAOYSA-N 2 2 326.444 3.113 20 30 EGEDLP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001045947285 1346782672 /nfs/dbraw/zinc/78/26/72/1346782672.db2.gz KUHRZNNFXUBXSB-FQEVSTJZSA-N 2 2 338.455 3.067 20 30 EGEDLP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001045947285 1346782673 /nfs/dbraw/zinc/78/26/73/1346782673.db2.gz KUHRZNNFXUBXSB-FQEVSTJZSA-N 2 2 338.455 3.067 20 30 EGEDLP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001183629137 1387325835 /nfs/dbraw/zinc/32/58/35/1387325835.db2.gz ILPHXXSPLPQWML-MRXNPFEDSA-N 2 2 326.444 3.113 20 30 EGEDLP C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001099252604 1363715379 /nfs/dbraw/zinc/71/53/79/1363715379.db2.gz XPFJWZHHTPPKIO-ZWKOTPCHSA-N 2 2 346.519 3.407 20 30 EGEDLP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001099252604 1363715385 /nfs/dbraw/zinc/71/53/85/1363715385.db2.gz XPFJWZHHTPPKIO-ZWKOTPCHSA-N 2 2 346.519 3.407 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001100522656 1364146141 /nfs/dbraw/zinc/14/61/41/1364146141.db2.gz ZDWBBRHQZXOARC-RWBZWWBESA-N 2 2 329.488 3.460 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561287 1367045053 /nfs/dbraw/zinc/04/50/53/1367045053.db2.gz HLWPFSMOGBUMMS-QWFCFKBJSA-N 2 2 344.503 3.161 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561287 1367045061 /nfs/dbraw/zinc/04/50/61/1367045061.db2.gz HLWPFSMOGBUMMS-QWFCFKBJSA-N 2 2 344.503 3.161 20 30 EGEDLP CCCCCCC[N@@H+]1CC[C@@]2(CNC(=O)Cc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107591104 1367060960 /nfs/dbraw/zinc/06/09/60/1367060960.db2.gz SGUGSHAAXKQIIG-YLJYHZDGSA-N 2 2 346.519 3.283 20 30 EGEDLP CCCCCCC[N@H+]1CC[C@@]2(CNC(=O)Cc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107591104 1367060963 /nfs/dbraw/zinc/06/09/63/1367060963.db2.gz SGUGSHAAXKQIIG-YLJYHZDGSA-N 2 2 346.519 3.283 20 30 EGEDLP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191318742 1367475770 /nfs/dbraw/zinc/47/57/70/1367475770.db2.gz DPHLZBYJXCJNPG-QGZVFWFLSA-N 2 2 342.487 3.451 20 30 EGEDLP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191318742 1367475772 /nfs/dbraw/zinc/47/57/72/1367475772.db2.gz DPHLZBYJXCJNPG-QGZVFWFLSA-N 2 2 342.487 3.451 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001108808877 1367609221 /nfs/dbraw/zinc/60/92/21/1367609221.db2.gz VKCCXESRKHMSHW-KSZLIROESA-N 2 2 346.519 3.200 20 30 EGEDLP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001192576903 1367823593 /nfs/dbraw/zinc/82/35/93/1367823593.db2.gz ASCSTEIOBFOCAI-QZTJIDSGSA-N 2 2 332.492 3.113 20 30 EGEDLP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001192576903 1367823598 /nfs/dbraw/zinc/82/35/98/1367823598.db2.gz ASCSTEIOBFOCAI-QZTJIDSGSA-N 2 2 332.492 3.113 20 30 EGEDLP C=CCCCCC[N@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001197284144 1368779637 /nfs/dbraw/zinc/77/96/37/1368779637.db2.gz WSPHGHUFQOTXSV-GOSISDBHSA-N 2 2 332.492 3.115 20 30 EGEDLP C=CCCCCC[N@@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001197284144 1368779639 /nfs/dbraw/zinc/77/96/39/1368779639.db2.gz WSPHGHUFQOTXSV-GOSISDBHSA-N 2 2 332.492 3.115 20 30 EGEDLP C=CCCCCC[NH+]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001112995179 1369127446 /nfs/dbraw/zinc/12/74/46/1369127446.db2.gz WEBWYVWFEIVIOJ-IBGZPJMESA-N 2 2 346.519 3.361 20 30 EGEDLP C=CCCCCC[NH2+]C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001201223731 1369498528 /nfs/dbraw/zinc/49/85/28/1369498528.db2.gz CYCIBAIOSABWCB-UHFFFAOYSA-N 2 2 346.519 3.254 20 30 EGEDLP N#Cc1ccc(Oc2ccc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)cn2)cc1 ZINC001206172555 1370980340 /nfs/dbraw/zinc/98/03/40/1370980340.db2.gz AQCXVPGVDMVOKP-ZWKOTPCHSA-N 2 2 340.402 3.007 20 30 EGEDLP N#Cc1ccc(Oc2ccc(C[N@@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)cn2)cc1 ZINC001206172555 1370980341 /nfs/dbraw/zinc/98/03/41/1370980341.db2.gz AQCXVPGVDMVOKP-ZWKOTPCHSA-N 2 2 340.402 3.007 20 30 EGEDLP CCCCCCC[NH2+]CC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001206898590 1371214704 /nfs/dbraw/zinc/21/47/04/1371214704.db2.gz XUKRQHCYNRZNNH-UHFFFAOYSA-N 2 2 334.508 3.059 20 30 EGEDLP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001121271707 1371917750 /nfs/dbraw/zinc/91/77/50/1371917750.db2.gz LLVOQCRBGPFVIV-QAELIBMJSA-N 2 2 344.503 3.063 20 30 EGEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001215704882 1373233711 /nfs/dbraw/zinc/23/37/11/1373233711.db2.gz BIHDPBAQCOKSCW-KZNAEPCWSA-N 2 2 332.492 3.017 20 30 EGEDLP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135098328 1376896511 /nfs/dbraw/zinc/89/65/11/1376896511.db2.gz WRQYHXURMKRGIB-SJORKVTESA-N 2 2 340.471 3.325 20 30 EGEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140117020 1378011753 /nfs/dbraw/zinc/01/17/53/1378011753.db2.gz KJDAFWQADQYBHB-KRWDZBQOSA-N 2 2 332.407 3.396 20 30 EGEDLP Cc1c[nH+]ccc1N1CC[NH+](Cc2cc(C#N)ccc2Cl)CC1 ZINC001140603493 1378095255 /nfs/dbraw/zinc/09/52/55/1378095255.db2.gz PZIKVTPYDLYEJB-UHFFFAOYSA-N 2 2 326.831 3.237 20 30 EGEDLP Cc1cc(N2CC[NH+](Cc3cc(C#N)ccc3Cl)CC2)cc[nH+]1 ZINC001140603590 1378096314 /nfs/dbraw/zinc/09/63/14/1378096314.db2.gz UDEBSLXCHGVIAO-UHFFFAOYSA-N 2 2 326.831 3.237 20 30 EGEDLP N#Cc1cccc2c1CC[C@H]2Nc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001171063234 1384439434 /nfs/dbraw/zinc/43/94/34/1384439434.db2.gz IKDOBRMEUXZLGT-DYESRHJHSA-N 2 2 332.451 3.191 20 30 EGEDLP N#Cc1cccc2c1CC[C@H]2Nc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001171063234 1384439438 /nfs/dbraw/zinc/43/94/38/1384439438.db2.gz IKDOBRMEUXZLGT-DYESRHJHSA-N 2 2 332.451 3.191 20 30 EGEDLP C[C@H](Cc1cccc(C#N)c1)N(c1cc[nH+]cc1F)C1CC[NH2+]CC1 ZINC001171231493 1384475597 /nfs/dbraw/zinc/47/55/97/1384475597.db2.gz KCJMCQQWLHNNPT-OAHLLOKOSA-N 2 2 338.430 3.282 20 30 EGEDLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173331717 1384960257 /nfs/dbraw/zinc/96/02/57/1384960257.db2.gz FSDJIJAVHMDDGA-CGNZLSCGSA-N 2 2 341.499 3.338 20 30 EGEDLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173331717 1384960260 /nfs/dbraw/zinc/96/02/60/1384960260.db2.gz FSDJIJAVHMDDGA-CGNZLSCGSA-N 2 2 341.499 3.338 20 30 EGEDLP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001752512166 1440190272 /nfs/dbraw/zinc/19/02/72/1440190272.db2.gz BOYIBUSUWJQUKV-SFHVURJKSA-N 2 2 329.488 3.367 20 30 EGEDLP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001752512166 1440190273 /nfs/dbraw/zinc/19/02/73/1440190273.db2.gz BOYIBUSUWJQUKV-SFHVURJKSA-N 2 2 329.488 3.367 20 30 EGEDLP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001752797426 1440214597 /nfs/dbraw/zinc/21/45/97/1440214597.db2.gz GXQWSMJHPABJSP-KRWDZBQOSA-N 2 2 340.471 3.051 20 30 EGEDLP C=CCC[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001753690435 1440466336 /nfs/dbraw/zinc/46/63/36/1440466336.db2.gz WIMJQDZFCYOSOQ-LSDHHAIUSA-N 2 2 328.460 3.048 20 30 EGEDLP C=C(C)C[N@H+](C)CCC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001753819976 1440495353 /nfs/dbraw/zinc/49/53/53/1440495353.db2.gz KAROWJSAQBATKH-UHFFFAOYSA-N 2 2 340.471 3.313 20 30 EGEDLP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001753819976 1440495354 /nfs/dbraw/zinc/49/53/54/1440495354.db2.gz KAROWJSAQBATKH-UHFFFAOYSA-N 2 2 340.471 3.313 20 30 EGEDLP C=CCC[C@@H](C)[N@H+](C)CCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001753853142 1440507756 /nfs/dbraw/zinc/50/77/56/1440507756.db2.gz MYHJXHKTVPSISX-OAHLLOKOSA-N 2 2 328.460 3.001 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001753853142 1440507757 /nfs/dbraw/zinc/50/77/57/1440507757.db2.gz MYHJXHKTVPSISX-OAHLLOKOSA-N 2 2 328.460 3.001 20 30 EGEDLP COc1ccc([C@@H](C[NH2+]Cc2cccc(C#N)c2)[NH+]2CCCC2)cc1 ZINC000053095684 214163722 /nfs/dbraw/zinc/16/37/22/214163722.db2.gz QQQYPKYXZOHTIF-OAQYLSRUSA-N 2 2 335.451 3.494 20 30 EGEDLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc(C#N)c1 ZINC000181530573 234220556 /nfs/dbraw/zinc/22/05/56/234220556.db2.gz WZDZPWRIDFESDO-KRWDZBQOSA-N 2 2 335.451 3.241 20 30 EGEDLP C[C@H](O)c1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181564116 234234653 /nfs/dbraw/zinc/23/46/53/234234653.db2.gz SMCAZZXTYBAOGM-KRWDZBQOSA-N 2 2 349.478 3.366 20 30 EGEDLP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(Cl)cc1C#N ZINC000344116890 164106756 /nfs/dbraw/zinc/10/67/56/164106756.db2.gz AYUFFZBKGWGKAF-UHFFFAOYSA-N 2 2 348.922 3.061 20 30 EGEDLP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(Cl)cc1C#N ZINC000344116890 164106758 /nfs/dbraw/zinc/10/67/58/164106758.db2.gz AYUFFZBKGWGKAF-UHFFFAOYSA-N 2 2 348.922 3.061 20 30 EGEDLP N#Cc1cc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)ccc1F ZINC000348307450 164703773 /nfs/dbraw/zinc/70/37/73/164703773.db2.gz PGJQGESMAIGWNN-WOJBJXKFSA-N 2 2 335.426 3.261 20 30 EGEDLP CC[C@H](C)[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)OC ZINC000294819928 270042079 /nfs/dbraw/zinc/04/20/79/270042079.db2.gz OTYYIRFBNKJIEH-JXFKEZNVSA-N 2 2 329.488 3.173 20 30 EGEDLP Cc1cc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000301106248 267335628 /nfs/dbraw/zinc/33/56/28/267335628.db2.gz UCQGBNOLRVWABD-UHFFFAOYSA-N 2 2 349.482 3.492 20 30 EGEDLP Cc1cc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000301106248 267335631 /nfs/dbraw/zinc/33/56/31/267335631.db2.gz UCQGBNOLRVWABD-UHFFFAOYSA-N 2 2 349.482 3.492 20 30 EGEDLP Cc1ccccc1[C@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000540594954 314390782 /nfs/dbraw/zinc/39/07/82/314390782.db2.gz KZQVVSJQSCOIEK-QFIPXVFZSA-N 2 2 349.478 3.154 20 30 EGEDLP C[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000552225789 315207259 /nfs/dbraw/zinc/20/72/59/315207259.db2.gz NZAWPAKVUPLDEQ-MSOLQXFVSA-N 2 2 340.515 3.380 20 30 EGEDLP C[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000552225789 315207264 /nfs/dbraw/zinc/20/72/64/315207264.db2.gz NZAWPAKVUPLDEQ-MSOLQXFVSA-N 2 2 340.515 3.380 20 30 EGEDLP N#Cc1ccc(N2CCC([NH2+]C[C@H]3[NH2+]CCc4ccccc43)CC2)cc1 ZINC000566092369 316414854 /nfs/dbraw/zinc/41/48/54/316414854.db2.gz FQJXRIGPSDGYQW-JOCHJYFZSA-N 2 2 346.478 3.004 20 30 EGEDLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(C#N)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000580147153 325208570 /nfs/dbraw/zinc/20/85/70/325208570.db2.gz VSLGXYHUVFEOJG-LAUBAEHRSA-N 2 2 334.467 3.438 20 30 EGEDLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(C#N)cn2)CC[N@H+]1Cc1ccccc1 ZINC000580147153 325208572 /nfs/dbraw/zinc/20/85/72/325208572.db2.gz VSLGXYHUVFEOJG-LAUBAEHRSA-N 2 2 334.467 3.438 20 30 EGEDLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)cn2)CC[NH+]1Cc1ccccc1 ZINC000580147153 325208574 /nfs/dbraw/zinc/20/85/74/325208574.db2.gz VSLGXYHUVFEOJG-LAUBAEHRSA-N 2 2 334.467 3.438 20 30 EGEDLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cn2)CC[NH+]1Cc1ccccc1 ZINC000580147153 325208577 /nfs/dbraw/zinc/20/85/77/325208577.db2.gz VSLGXYHUVFEOJG-LAUBAEHRSA-N 2 2 334.467 3.438 20 30 EGEDLP Cc1csc(CO[NH+]=C(N)c2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000088519742 454109468 /nfs/dbraw/zinc/10/94/68/454109468.db2.gz NDHZXSAREQHCOK-UHFFFAOYSA-N 2 2 344.484 3.275 20 30 EGEDLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000072725832 454333496 /nfs/dbraw/zinc/33/34/96/454333496.db2.gz SBBCGKVNGNDUMN-IBGZPJMESA-N 2 2 337.471 3.038 20 30 EGEDLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000072725832 454333499 /nfs/dbraw/zinc/33/34/99/454333499.db2.gz SBBCGKVNGNDUMN-IBGZPJMESA-N 2 2 337.471 3.038 20 30 EGEDLP C#CCOc1ccccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000063548849 454422440 /nfs/dbraw/zinc/42/24/40/454422440.db2.gz GOBDYNOFOZGZRL-UHFFFAOYSA-N 2 2 335.382 3.313 20 30 EGEDLP C=CCc1cc(C[N@H+]2CC[C@@H](C[NH+](CC)CC)C2)cc(OC)c1O ZINC000093693137 454730051 /nfs/dbraw/zinc/73/00/51/454730051.db2.gz UMDFAVMFNDUFPA-INIZCTEOSA-N 2 2 332.488 3.293 20 30 EGEDLP C=CCc1cc(C[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)cc(OC)c1O ZINC000093693137 454730057 /nfs/dbraw/zinc/73/00/57/454730057.db2.gz UMDFAVMFNDUFPA-INIZCTEOSA-N 2 2 332.488 3.293 20 30 EGEDLP Cc1c[nH+]ccc1CCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000162897152 454807964 /nfs/dbraw/zinc/80/79/64/454807964.db2.gz HTXVUOXEGJQUTF-UHFFFAOYSA-N 2 2 338.333 3.258 20 30 EGEDLP C[C@@H](NC(=[NH2+])NCCCn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000264079119 455189407 /nfs/dbraw/zinc/18/94/07/455189407.db2.gz HZMUXHDTJXGQDA-LLVKDONJSA-N 2 2 340.258 3.246 20 30 EGEDLP C[NH+](CCC[N@@H+](C)Cc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000157554057 455206884 /nfs/dbraw/zinc/20/68/84/455206884.db2.gz OYOVRUNUXHOURH-UHFFFAOYSA-N 2 2 332.451 3.384 20 30 EGEDLP C[NH+](CCC[N@H+](C)Cc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000157554057 455206888 /nfs/dbraw/zinc/20/68/88/455206888.db2.gz OYOVRUNUXHOURH-UHFFFAOYSA-N 2 2 332.451 3.384 20 30 EGEDLP C=CCCCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245619607 455342327 /nfs/dbraw/zinc/34/23/27/455342327.db2.gz AMGHKJPBAOEBGM-RTBURBONSA-N 2 2 335.536 3.138 20 30 EGEDLP C=CCCCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245619607 455342332 /nfs/dbraw/zinc/34/23/32/455342332.db2.gz AMGHKJPBAOEBGM-RTBURBONSA-N 2 2 335.536 3.138 20 30 EGEDLP C=CCOc1cccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000182090310 455433316 /nfs/dbraw/zinc/43/33/16/455433316.db2.gz MSNFQLKXJCUZHY-SFHVURJKSA-N 2 2 325.456 3.440 20 30 EGEDLP C=CCOc1cccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000182090310 455433322 /nfs/dbraw/zinc/43/33/22/455433322.db2.gz MSNFQLKXJCUZHY-SFHVURJKSA-N 2 2 325.456 3.440 20 30 EGEDLP C=C(C)COc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1OC ZINC000292718953 455740531 /nfs/dbraw/zinc/74/05/31/455740531.db2.gz FCSXIPKRDVPYTQ-FQEVSTJZSA-N 2 2 330.472 3.178 20 30 EGEDLP C=C(C)COc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1OC ZINC000292718953 455740535 /nfs/dbraw/zinc/74/05/35/455740535.db2.gz FCSXIPKRDVPYTQ-FQEVSTJZSA-N 2 2 330.472 3.178 20 30 EGEDLP C=C(C)COc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)ccc1OC ZINC000292718953 455740540 /nfs/dbraw/zinc/74/05/40/455740540.db2.gz FCSXIPKRDVPYTQ-FQEVSTJZSA-N 2 2 330.472 3.178 20 30 EGEDLP C=C(C)COc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1OC ZINC000292718953 455740543 /nfs/dbraw/zinc/74/05/43/455740543.db2.gz FCSXIPKRDVPYTQ-FQEVSTJZSA-N 2 2 330.472 3.178 20 30 EGEDLP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(C#N)cc1 ZINC000278281607 455804787 /nfs/dbraw/zinc/80/47/87/455804787.db2.gz QCRMQZYSWMSVIX-FCHUYYIVSA-N 2 2 349.478 3.018 20 30 EGEDLP CC[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(C#N)cc1 ZINC000278281607 455804791 /nfs/dbraw/zinc/80/47/91/455804791.db2.gz QCRMQZYSWMSVIX-FCHUYYIVSA-N 2 2 349.478 3.018 20 30 EGEDLP COc1cc(C#N)ccc1C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285680954 455895190 /nfs/dbraw/zinc/89/51/90/455895190.db2.gz NWTRJNYWIZBGMH-UHFFFAOYSA-N 2 2 327.428 3.114 20 30 EGEDLP COc1cc(C#N)ccc1C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285680954 455895196 /nfs/dbraw/zinc/89/51/96/455895196.db2.gz NWTRJNYWIZBGMH-UHFFFAOYSA-N 2 2 327.428 3.114 20 30 EGEDLP COc1cc(C#N)ccc1C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285680954 455895198 /nfs/dbraw/zinc/89/51/98/455895198.db2.gz NWTRJNYWIZBGMH-UHFFFAOYSA-N 2 2 327.428 3.114 20 30 EGEDLP COc1cc(C#N)ccc1C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285680954 455895205 /nfs/dbraw/zinc/89/52/05/455895205.db2.gz NWTRJNYWIZBGMH-UHFFFAOYSA-N 2 2 327.428 3.114 20 30 EGEDLP C=C(C)COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc1OC ZINC000340426824 456453496 /nfs/dbraw/zinc/45/34/96/456453496.db2.gz NZZQJTVBTOQMMR-QZTJIDSGSA-N 2 2 330.472 3.367 20 30 EGEDLP C=C(C)COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)ccc1OC ZINC000340426824 456453503 /nfs/dbraw/zinc/45/35/03/456453503.db2.gz NZZQJTVBTOQMMR-QZTJIDSGSA-N 2 2 330.472 3.367 20 30 EGEDLP [NH2+]=C(NCc1ccc(-n2cc[nH+]c2)nc1)Nc1cccc2c1CCCC2 ZINC000304707707 456517340 /nfs/dbraw/zinc/51/73/40/456517340.db2.gz XLGKCBCSGRTGMB-UHFFFAOYSA-N 2 2 346.438 3.073 20 30 EGEDLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)CC1 ZINC000277399516 456810271 /nfs/dbraw/zinc/81/02/71/456810271.db2.gz ZJRGLZMVDHJZKM-HNNXBMFYSA-N 2 2 336.277 3.237 20 30 EGEDLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Br)CC1 ZINC000277399516 456810275 /nfs/dbraw/zinc/81/02/75/456810275.db2.gz ZJRGLZMVDHJZKM-HNNXBMFYSA-N 2 2 336.277 3.237 20 30 EGEDLP CC1(C)C[N@@H+](C2(CNC(=O)CCc3[nH]cc[nH+]3)CCCCC2)CCO1 ZINC000329542832 456906107 /nfs/dbraw/zinc/90/61/07/456906107.db2.gz NUIFNKORQGOIBO-UHFFFAOYSA-N 2 2 348.491 3.113 20 30 EGEDLP CC1(C)C[N@H+](C2(CNC(=O)CCc3[nH]cc[nH+]3)CCCCC2)CCO1 ZINC000329542832 456906111 /nfs/dbraw/zinc/90/61/11/456906111.db2.gz NUIFNKORQGOIBO-UHFFFAOYSA-N 2 2 348.491 3.113 20 30 EGEDLP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330317907 457027206 /nfs/dbraw/zinc/02/72/06/457027206.db2.gz BZJGIDGZTPMWJB-ZBFHGGJFSA-N 2 2 345.447 3.007 20 30 EGEDLP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCO1 ZINC000330330791 457028989 /nfs/dbraw/zinc/02/89/89/457028989.db2.gz NOQQXEDYODQGSV-HFTRVMKXSA-N 2 2 346.475 3.004 20 30 EGEDLP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCO1 ZINC000330330791 457028994 /nfs/dbraw/zinc/02/89/94/457028994.db2.gz NOQQXEDYODQGSV-HFTRVMKXSA-N 2 2 346.475 3.004 20 30 EGEDLP Cc1cc(NC(=O)N[C@H](C)CC[NH+](C)C)c[nH+]c1N1CCCC[C@@H]1C ZINC000330771479 457082657 /nfs/dbraw/zinc/08/26/57/457082657.db2.gz CGQHIBXWMQYLHD-CVEARBPZSA-N 2 2 347.507 3.435 20 30 EGEDLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1sccc1C#N ZINC000360945076 457452974 /nfs/dbraw/zinc/45/29/74/457452974.db2.gz CQGUKQFYHJTNAG-CVEARBPZSA-N 2 2 348.516 3.048 20 30 EGEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1C ZINC000365632758 457767996 /nfs/dbraw/zinc/76/79/96/457767996.db2.gz UFGRYGNLYIROFI-KRWDZBQOSA-N 2 2 340.471 3.087 20 30 EGEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1C ZINC000365632758 457768002 /nfs/dbraw/zinc/76/80/02/457768002.db2.gz UFGRYGNLYIROFI-KRWDZBQOSA-N 2 2 340.471 3.087 20 30 EGEDLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000358137580 457807922 /nfs/dbraw/zinc/80/79/22/457807922.db2.gz HJVXDGDHGHVOTR-JYPHPWERSA-N 2 2 327.472 3.178 20 30 EGEDLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000358137580 457807927 /nfs/dbraw/zinc/80/79/27/457807927.db2.gz HJVXDGDHGHVOTR-JYPHPWERSA-N 2 2 327.472 3.178 20 30 EGEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000437245707 458438854 /nfs/dbraw/zinc/43/88/54/458438854.db2.gz LERPFJWGNHGDRW-PBASOCQRSA-N 2 2 328.500 3.468 20 30 EGEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000437245707 458438859 /nfs/dbraw/zinc/43/88/59/458438859.db2.gz LERPFJWGNHGDRW-PBASOCQRSA-N 2 2 328.500 3.468 20 30 EGEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2OC(F)F)C[C@@H]1C ZINC000437890962 458508680 /nfs/dbraw/zinc/50/86/80/458508680.db2.gz NLPVZKYXASFMCT-XJKSGUPXSA-N 2 2 337.414 3.464 20 30 EGEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2OC(F)F)C[C@@H]1C ZINC000437890962 458508683 /nfs/dbraw/zinc/50/86/83/458508683.db2.gz NLPVZKYXASFMCT-XJKSGUPXSA-N 2 2 337.414 3.464 20 30 EGEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2OC(F)F)C[C@@H]1C ZINC000437890962 458508687 /nfs/dbraw/zinc/50/86/87/458508687.db2.gz NLPVZKYXASFMCT-XJKSGUPXSA-N 2 2 337.414 3.464 20 30 EGEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)C[C@@H]1C ZINC000437890962 458508693 /nfs/dbraw/zinc/50/86/93/458508693.db2.gz NLPVZKYXASFMCT-XJKSGUPXSA-N 2 2 337.414 3.464 20 30 EGEDLP COc1cc(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)ccc1C#N ZINC000440816238 458857075 /nfs/dbraw/zinc/85/70/75/458857075.db2.gz MBRFOIWTTDTCTO-FQEVSTJZSA-N 2 2 335.451 3.494 20 30 EGEDLP C=CCCSCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000594960555 459194040 /nfs/dbraw/zinc/19/40/40/459194040.db2.gz SQFZOPXLNTYURQ-UHFFFAOYSA-N 2 2 329.513 3.422 20 30 EGEDLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000560536369 459367821 /nfs/dbraw/zinc/36/78/21/459367821.db2.gz CCEKDVDJBVLEEK-HXUWFJFHSA-N 2 2 340.515 3.237 20 30 EGEDLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000560536369 459367826 /nfs/dbraw/zinc/36/78/26/459367826.db2.gz CCEKDVDJBVLEEK-HXUWFJFHSA-N 2 2 340.515 3.237 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000497016059 459406686 /nfs/dbraw/zinc/40/66/86/459406686.db2.gz CEXIEZJYBKBUCK-WBVHZDCISA-N 2 2 337.508 3.014 20 30 EGEDLP CC(C)n1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000584368143 459720693 /nfs/dbraw/zinc/72/06/93/459720693.db2.gz AICZTWSQHDUCQG-UHFFFAOYSA-N 2 2 337.471 3.090 20 30 EGEDLP COc1ccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593687087 459951123 /nfs/dbraw/zinc/95/11/23/459951123.db2.gz BYMNGIKBEZQPNF-UHFFFAOYSA-N 2 2 335.451 3.321 20 30 EGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3cccc4c3OCO4)CC2)c1 ZINC000593692319 459953181 /nfs/dbraw/zinc/95/31/81/459953181.db2.gz AXPUXXAUNWPPHX-UHFFFAOYSA-N 2 2 349.434 3.041 20 30 EGEDLP N#Cc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000602484700 459962052 /nfs/dbraw/zinc/96/20/52/459962052.db2.gz LYEJRZZBYZDHFV-DENIHFKCSA-N 2 2 346.478 3.440 20 30 EGEDLP N#Cc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000602484700 459962053 /nfs/dbraw/zinc/96/20/53/459962053.db2.gz LYEJRZZBYZDHFV-DENIHFKCSA-N 2 2 346.478 3.440 20 30 EGEDLP N#Cc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000602484700 459962057 /nfs/dbraw/zinc/96/20/57/459962057.db2.gz LYEJRZZBYZDHFV-DENIHFKCSA-N 2 2 346.478 3.440 20 30 EGEDLP N#Cc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000602484700 459962059 /nfs/dbraw/zinc/96/20/59/459962059.db2.gz LYEJRZZBYZDHFV-DENIHFKCSA-N 2 2 346.478 3.440 20 30 EGEDLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598610268 459962685 /nfs/dbraw/zinc/96/26/85/459962685.db2.gz YIAHCUUFQZOTDD-MOPGFXCFSA-N 2 2 331.504 3.033 20 30 EGEDLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598610268 459962691 /nfs/dbraw/zinc/96/26/91/459962691.db2.gz YIAHCUUFQZOTDD-MOPGFXCFSA-N 2 2 331.504 3.033 20 30 EGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cccc(C#N)n1 ZINC000602572143 460002688 /nfs/dbraw/zinc/00/26/88/460002688.db2.gz YBIOFEIKLPWIBP-LFUKPOHLSA-N 2 2 334.467 3.199 20 30 EGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cccc(C#N)n1 ZINC000602572143 460002693 /nfs/dbraw/zinc/00/26/93/460002693.db2.gz YBIOFEIKLPWIBP-LFUKPOHLSA-N 2 2 334.467 3.199 20 30 EGEDLP CC(C)Cc1ccc([C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)[NH+](C)C)cc1 ZINC000598728206 460008687 /nfs/dbraw/zinc/00/86/87/460008687.db2.gz PBBVQFPYNKWDCJ-UXHICEINSA-N 2 2 345.531 3.378 20 30 EGEDLP Cc1noc(C)c1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000611438571 460365236 /nfs/dbraw/zinc/36/52/36/460365236.db2.gz BUBIUZPKANSKRM-CQSZACIVSA-N 2 2 338.455 3.478 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCN(c3cc[nH+]c4c(O)cccc34)CC2)cc1 ZINC000619473933 460365771 /nfs/dbraw/zinc/36/57/71/460365771.db2.gz GFAAUBMGEIVZEM-UHFFFAOYSA-N 2 2 344.418 3.134 20 30 EGEDLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1cccc(C#N)c1 ZINC000611465248 460370633 /nfs/dbraw/zinc/37/06/33/460370633.db2.gz VQWJJOFKJVEGNG-UHFFFAOYSA-N 2 2 347.466 3.284 20 30 EGEDLP CC[NH+](CC)C1CC[NH+](Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000121713216 1293385769 /nfs/dbraw/zinc/38/57/69/1293385769.db2.gz IJDFMWFFNGXNPA-UHFFFAOYSA-N 2 2 328.504 3.343 20 30 EGEDLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCC[C@H](C#N)C3)CC2)cc1 ZINC000192904605 1295812097 /nfs/dbraw/zinc/81/20/97/1295812097.db2.gz CFHRIQPJORZZBC-FUHWJXTLSA-N 2 2 326.488 3.393 20 30 EGEDLP Cc1ccc(NC(=[NH2+])NC[C@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000303891643 1296869995 /nfs/dbraw/zinc/86/99/95/1296869995.db2.gz QVXOSMLNLTTZEK-AWEZNQCLSA-N 2 2 328.485 3.230 20 30 EGEDLP Cc1ccc(NC(=[NH2+])NC[C@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000303891643 1296870015 /nfs/dbraw/zinc/87/00/15/1296870015.db2.gz QVXOSMLNLTTZEK-AWEZNQCLSA-N 2 2 328.485 3.230 20 30 EGEDLP C=CC(C)(C)CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000879290754 1300470934 /nfs/dbraw/zinc/47/09/34/1300470934.db2.gz MSBKLGMISIILDY-OALUTQOASA-N 2 2 349.563 3.384 20 30 EGEDLP C=CC(C)(C)CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000879290754 1300470935 /nfs/dbraw/zinc/47/09/35/1300470935.db2.gz MSBKLGMISIILDY-OALUTQOASA-N 2 2 349.563 3.384 20 30 EGEDLP N#Cc1ccc(OCCC[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000761117199 1301405871 /nfs/dbraw/zinc/40/58/71/1301405871.db2.gz IWSVEZWJOYWUJC-UHFFFAOYSA-N 2 2 336.439 3.299 20 30 EGEDLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(C#N)ccc2Br)C1 ZINC000894495851 1308921215 /nfs/dbraw/zinc/92/12/15/1308921215.db2.gz LLJIPEPJAWHAIW-YOEHRIQHSA-N 2 2 348.288 3.237 20 30 EGEDLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(C#N)ccc2Br)C1 ZINC000894495851 1308921208 /nfs/dbraw/zinc/92/12/08/1308921208.db2.gz LLJIPEPJAWHAIW-YOEHRIQHSA-N 2 2 348.288 3.237 20 30 EGEDLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc(C#N)ccc2Br)C1 ZINC000894495851 1308921219 /nfs/dbraw/zinc/92/12/19/1308921219.db2.gz LLJIPEPJAWHAIW-YOEHRIQHSA-N 2 2 348.288 3.237 20 30 EGEDLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc(C#N)ccc2Br)C1 ZINC000894495851 1308921226 /nfs/dbraw/zinc/92/12/26/1308921226.db2.gz LLJIPEPJAWHAIW-YOEHRIQHSA-N 2 2 348.288 3.237 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC000902795888 1317617281 /nfs/dbraw/zinc/61/72/81/1317617281.db2.gz KPJYXQSBFJKHQQ-WBVHZDCISA-N 2 2 337.508 3.014 20 30 EGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000815652852 1319036805 /nfs/dbraw/zinc/03/68/05/1319036805.db2.gz WZWXMULDQWIILL-HNNXBMFYSA-N 2 2 344.890 3.440 20 30 EGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000815652852 1319036810 /nfs/dbraw/zinc/03/68/10/1319036810.db2.gz WZWXMULDQWIILL-HNNXBMFYSA-N 2 2 344.890 3.440 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025227498 1324014410 /nfs/dbraw/zinc/01/44/10/1324014410.db2.gz QDXBEESVGIBQFF-MSOLQXFVSA-N 2 2 344.503 3.154 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025227498 1324014412 /nfs/dbraw/zinc/01/44/12/1324014412.db2.gz QDXBEESVGIBQFF-MSOLQXFVSA-N 2 2 344.503 3.154 20 30 EGEDLP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3c(C)cc(C)[nH+]c3C)C[C@H]21 ZINC001026316684 1324721383 /nfs/dbraw/zinc/72/13/83/1324721383.db2.gz GZNKPIYAGOJWKG-RCCFBDPRSA-N 2 2 327.472 3.023 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001008086562 1336766420 /nfs/dbraw/zinc/76/64/20/1336766420.db2.gz CWVFLHXIXDLEQP-GOSISDBHSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001008086562 1336766421 /nfs/dbraw/zinc/76/64/21/1336766421.db2.gz CWVFLHXIXDLEQP-GOSISDBHSA-N 2 2 338.455 3.033 20 30 EGEDLP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034467617 1342522982 /nfs/dbraw/zinc/52/29/82/1342522982.db2.gz LABISURCKYYNMJ-GOSISDBHSA-N 2 2 338.455 3.033 20 30 EGEDLP C=CCC[N@H+]1CCCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034467617 1342522990 /nfs/dbraw/zinc/52/29/90/1342522990.db2.gz LABISURCKYYNMJ-GOSISDBHSA-N 2 2 338.455 3.033 20 30 EGEDLP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034545063 1342607177 /nfs/dbraw/zinc/60/71/77/1342607177.db2.gz XRBXREUNVSDKHI-KRWDZBQOSA-N 2 2 349.906 3.085 20 30 EGEDLP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034545063 1342607181 /nfs/dbraw/zinc/60/71/81/1342607181.db2.gz XRBXREUNVSDKHI-KRWDZBQOSA-N 2 2 349.906 3.085 20 30 EGEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC001044694039 1346405226 /nfs/dbraw/zinc/40/52/26/1346405226.db2.gz RBJXTCVFKPUKEG-AEFFLSMTSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CC[N@@H+]1CCc2c(CNC(=O)c3cc4c[nH+]ccc4[nH]3)cccc2C1 ZINC001051293201 1348421871 /nfs/dbraw/zinc/42/18/71/1348421871.db2.gz OZQORZQANJBQRG-UHFFFAOYSA-N 2 2 346.434 3.037 20 30 EGEDLP C=CC[N@H+]1CCc2c(CNC(=O)c3cc4c[nH+]ccc4[nH]3)cccc2C1 ZINC001051293201 1348421872 /nfs/dbraw/zinc/42/18/72/1348421872.db2.gz OZQORZQANJBQRG-UHFFFAOYSA-N 2 2 346.434 3.037 20 30 EGEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089486843 1360466924 /nfs/dbraw/zinc/46/69/24/1360466924.db2.gz DEZQOWORKUWWOM-HZPDHXFCSA-N 2 2 344.503 3.013 20 30 EGEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089486843 1360466925 /nfs/dbraw/zinc/46/69/25/1360466925.db2.gz DEZQOWORKUWWOM-HZPDHXFCSA-N 2 2 344.503 3.013 20 30 EGEDLP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001099363661 1363774319 /nfs/dbraw/zinc/77/43/19/1363774319.db2.gz BCALWXPABCLAJT-GOSISDBHSA-N 2 2 346.519 3.236 20 30 EGEDLP C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001099363661 1363774330 /nfs/dbraw/zinc/77/43/30/1363774330.db2.gz BCALWXPABCLAJT-GOSISDBHSA-N 2 2 346.519 3.236 20 30 EGEDLP CCCCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001100663366 1364209127 /nfs/dbraw/zinc/20/91/27/1364209127.db2.gz POTFKQPZZIVEQN-OFLPRAFFSA-N 2 2 346.519 3.284 20 30 EGEDLP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001101557855 1364618297 /nfs/dbraw/zinc/61/82/97/1364618297.db2.gz ISNBLOYHAUPFMF-UHFFFAOYSA-N 2 2 341.499 3.108 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001109440498 1367121754 /nfs/dbraw/zinc/12/17/54/1367121754.db2.gz XPPMGUDBJDZBQB-BDXSIMOUSA-N 2 2 344.503 3.003 20 30 EGEDLP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001109440498 1367121756 /nfs/dbraw/zinc/12/17/56/1367121756.db2.gz XPPMGUDBJDZBQB-BDXSIMOUSA-N 2 2 344.503 3.003 20 30 EGEDLP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190933428 1367385073 /nfs/dbraw/zinc/38/50/73/1367385073.db2.gz HWVGBKRJCBCHTM-KRWDZBQOSA-N 2 2 340.471 3.456 20 30 EGEDLP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190933428 1367385076 /nfs/dbraw/zinc/38/50/76/1367385076.db2.gz HWVGBKRJCBCHTM-KRWDZBQOSA-N 2 2 340.471 3.456 20 30 EGEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001111127225 1368161659 /nfs/dbraw/zinc/16/16/59/1368161659.db2.gz BAOFSWOKJUZTDF-AITUJVMLSA-N 2 2 344.503 3.056 20 30 EGEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001111127225 1368161662 /nfs/dbraw/zinc/16/16/62/1368161662.db2.gz BAOFSWOKJUZTDF-AITUJVMLSA-N 2 2 344.503 3.056 20 30 EGEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001111127225 1368161665 /nfs/dbraw/zinc/16/16/65/1368161665.db2.gz BAOFSWOKJUZTDF-AITUJVMLSA-N 2 2 344.503 3.056 20 30 EGEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001111127225 1368161667 /nfs/dbraw/zinc/16/16/67/1368161667.db2.gz BAOFSWOKJUZTDF-AITUJVMLSA-N 2 2 344.503 3.056 20 30 EGEDLP CCCCCCC[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C12CCC2 ZINC001203015298 1369954245 /nfs/dbraw/zinc/95/42/45/1369954245.db2.gz WFTKQJODOIPOON-ZWKOTPCHSA-N 2 2 346.519 3.330 20 30 EGEDLP CCCCCCC[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C12CCC2 ZINC001203015298 1369954256 /nfs/dbraw/zinc/95/42/56/1369954256.db2.gz WFTKQJODOIPOON-ZWKOTPCHSA-N 2 2 346.519 3.330 20 30 EGEDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(C#N)c(Cl)c1 ZINC001325890997 1388067831 /nfs/dbraw/zinc/06/78/31/1388067831.db2.gz OZPRPUSLOXPDJF-UHFFFAOYSA-N 2 2 337.770 3.353 20 30 EGEDLP C=C(C)C[NH2+]C1(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CCCCC1 ZINC001115583404 1370585690 /nfs/dbraw/zinc/58/56/90/1370585690.db2.gz BDZCGMZATFFAAJ-SFHVURJKSA-N 2 2 346.519 3.455 20 30 EGEDLP C=C(Cl)C[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CCCCC1 ZINC001115627460 1370621164 /nfs/dbraw/zinc/62/11/64/1370621164.db2.gz FWPBITXZQFIWRF-UHFFFAOYSA-N 2 2 346.862 3.109 20 30 EGEDLP C=C(C)CC[NH2+]C1(CNC(=O)C[C@H](C)n2cc[nH+]c2)CCCCC1 ZINC001115752586 1370734715 /nfs/dbraw/zinc/73/47/15/1370734715.db2.gz KNYQEKUPZXVAQX-KRWDZBQOSA-N 2 2 332.492 3.209 20 30 EGEDLP C=CCCCCC[NH2+]C1CC2(CC(NC(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001121211963 1371893509 /nfs/dbraw/zinc/89/35/09/1371893509.db2.gz CDKNMFXIEDPJQQ-UHFFFAOYSA-N 2 2 344.503 3.106 20 30 EGEDLP C=CCCCCC[NH2+]C1CC2(CC(NC(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001121211963 1371893514 /nfs/dbraw/zinc/89/35/14/1371893514.db2.gz CDKNMFXIEDPJQQ-UHFFFAOYSA-N 2 2 344.503 3.106 20 30 EGEDLP C=CCCCCCC[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001209437339 1372106559 /nfs/dbraw/zinc/10/65/59/1372106559.db2.gz ITDYRTHPPLKEHJ-UHFFFAOYSA-N 2 2 345.535 3.259 20 30 EGEDLP C=CCCCCCC[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001209437339 1372106563 /nfs/dbraw/zinc/10/65/63/1372106563.db2.gz ITDYRTHPPLKEHJ-UHFFFAOYSA-N 2 2 345.535 3.259 20 30 EGEDLP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001209567437 1372138800 /nfs/dbraw/zinc/13/88/00/1372138800.db2.gz DECHRIBJZCGJBF-DLBZAZTESA-N 2 2 344.503 3.157 20 30 EGEDLP Cc1nc(O[C@H]2CC[C@@H](C)[NH2+]C2)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001218406375 1373608573 /nfs/dbraw/zinc/60/85/73/1373608573.db2.gz NNJKVPUCYDWVTM-DYVFJYSZSA-N 2 2 347.422 3.096 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)CC[C@@H]1C ZINC001132458898 1375402313 /nfs/dbraw/zinc/40/23/13/1375402313.db2.gz YXDQDMOSGRFHLJ-ROUUACIJSA-N 2 2 348.535 3.292 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)CC[C@@H]1C ZINC001132458898 1375402314 /nfs/dbraw/zinc/40/23/14/1375402314.db2.gz YXDQDMOSGRFHLJ-ROUUACIJSA-N 2 2 348.535 3.292 20 30 EGEDLP C#Cc1cccc(C[N@H+]2CCc3ccc(OC)cc3C23CC[NH2+]CC3)c1 ZINC001235019285 1376827825 /nfs/dbraw/zinc/82/78/25/1376827825.db2.gz MFYTZKXWSQFDGR-UHFFFAOYSA-N 2 2 346.474 3.314 20 30 EGEDLP C#Cc1cccc(C[N@@H+]2CCc3ccc(OC)cc3C23CC[NH2+]CC3)c1 ZINC001235019285 1376827830 /nfs/dbraw/zinc/82/78/30/1376827830.db2.gz MFYTZKXWSQFDGR-UHFFFAOYSA-N 2 2 346.474 3.314 20 30 EGEDLP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135841191 1377229308 /nfs/dbraw/zinc/22/93/08/1377229308.db2.gz XHUXYQUBKDDVGL-SJORKVTESA-N 2 2 340.471 3.325 20 30 EGEDLP N#Cc1ccc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC001139360373 1377874323 /nfs/dbraw/zinc/87/43/23/1377874323.db2.gz QCPPSJSPHBLLIV-UHFFFAOYSA-N 2 2 343.434 3.066 20 30 EGEDLP C=CC[N@H+](Cc1cccc(OCC[NH+]2CCOCC2)c1)C(C)(C)C ZINC001139769087 1377948283 /nfs/dbraw/zinc/94/82/83/1377948283.db2.gz UGQARFLZVDXOEK-UHFFFAOYSA-N 2 2 332.488 3.184 20 30 EGEDLP C=CC[N@@H+](Cc1cccc(OCC[NH+]2CCOCC2)c1)C(C)(C)C ZINC001139769087 1377948284 /nfs/dbraw/zinc/94/82/84/1377948284.db2.gz UGQARFLZVDXOEK-UHFFFAOYSA-N 2 2 332.488 3.184 20 30 EGEDLP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001158807200 1381408282 /nfs/dbraw/zinc/40/82/82/1381408282.db2.gz YMFSKCTZCDUCDV-PKOBYXMFSA-N 2 2 346.519 3.020 20 30 EGEDLP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001158807200 1381408287 /nfs/dbraw/zinc/40/82/87/1381408287.db2.gz YMFSKCTZCDUCDV-PKOBYXMFSA-N 2 2 346.519 3.020 20 30 EGEDLP C[C@H](Cc1cccc(C#N)c1)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001171196363 1384466552 /nfs/dbraw/zinc/46/65/52/1384466552.db2.gz ZRHQOQYPZXIOCN-QGZVFWFLSA-N 2 2 349.478 3.449 20 30 EGEDLP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001171604159 1384577185 /nfs/dbraw/zinc/57/71/85/1384577185.db2.gz HEFOYIFLCGRATB-WBVHZDCISA-N 2 2 346.519 3.054 20 30 EGEDLP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001171604159 1384577187 /nfs/dbraw/zinc/57/71/87/1384577187.db2.gz HEFOYIFLCGRATB-WBVHZDCISA-N 2 2 346.519 3.054 20 30 EGEDLP C=CCN1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171984569 1384703643 /nfs/dbraw/zinc/70/36/43/1384703643.db2.gz NBJMOKTYVYARSQ-HXUWFJFHSA-N 2 2 327.516 3.233 20 30 EGEDLP C=CCN1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171984569 1384703648 /nfs/dbraw/zinc/70/36/48/1384703648.db2.gz NBJMOKTYVYARSQ-HXUWFJFHSA-N 2 2 327.516 3.233 20 30 EGEDLP C=CCCCCC[NH2+][C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)[C@H]1C ZINC001179622289 1386533686 /nfs/dbraw/zinc/53/36/86/1386533686.db2.gz INWBDZZSGCWOCV-BZSNNMDCSA-N 2 2 332.492 3.160 20 30 EGEDLP C#CCCCOc1ccc[nH+]c1NC1CCN(c2cc[nH+]cc2)CC1 ZINC001336897135 1389198839 /nfs/dbraw/zinc/19/88/39/1389198839.db2.gz DKCZZVPCGFWIHC-UHFFFAOYSA-N 2 2 336.439 3.350 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001753330441 1440369113 /nfs/dbraw/zinc/36/91/13/1440369113.db2.gz JHHQSECFCYVYIY-QZTJIDSGSA-N 2 2 346.519 3.110 20 30 EGEDLP C=CCC[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001753330441 1440369114 /nfs/dbraw/zinc/36/91/14/1440369114.db2.gz JHHQSECFCYVYIY-QZTJIDSGSA-N 2 2 346.519 3.110 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3COc4ccccc4C3)CC2)cc1 ZINC000181622154 234255461 /nfs/dbraw/zinc/25/54/61/234255461.db2.gz HBTYRNACVDGKQV-NRFANRHFSA-N 2 2 347.462 3.116 20 30 EGEDLP C[N@H+](Cc1cccc(C#N)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000081005997 217348305 /nfs/dbraw/zinc/34/83/05/217348305.db2.gz GKSUCJJZPWYNFS-UHFFFAOYSA-N 2 2 334.467 3.092 20 30 EGEDLP C[N@@H+](Cc1cccc(C#N)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000081005997 217348308 /nfs/dbraw/zinc/34/83/08/217348308.db2.gz GKSUCJJZPWYNFS-UHFFFAOYSA-N 2 2 334.467 3.092 20 30 EGEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187367809 144157643 /nfs/dbraw/zinc/15/76/43/144157643.db2.gz MTGZZQUQHZUEII-CQSZACIVSA-N 2 2 328.847 3.400 20 30 EGEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187367809 144157645 /nfs/dbraw/zinc/15/76/45/144157645.db2.gz MTGZZQUQHZUEII-CQSZACIVSA-N 2 2 328.847 3.400 20 30 EGEDLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ccc(C#N)o3)cc2)C[C@@H](C)O1 ZINC000174257390 267054479 /nfs/dbraw/zinc/05/44/79/267054479.db2.gz FYFDDSJXZRLLBR-HZPDHXFCSA-N 2 2 339.439 3.050 20 30 EGEDLP C[NH+]1CCC([N@H+](Cc2ccco2)Cc2ccc(C#N)c(F)c2)CC1 ZINC000421358416 267331502 /nfs/dbraw/zinc/33/15/02/267331502.db2.gz SWKYYQMVOXVJDA-UHFFFAOYSA-N 2 2 327.403 3.387 20 30 EGEDLP C[NH+]1CCC([N@@H+](Cc2ccco2)Cc2ccc(C#N)c(F)c2)CC1 ZINC000421358416 267331505 /nfs/dbraw/zinc/33/15/05/267331505.db2.gz SWKYYQMVOXVJDA-UHFFFAOYSA-N 2 2 327.403 3.387 20 30 EGEDLP C#CCOc1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000131035262 454231935 /nfs/dbraw/zinc/23/19/35/454231935.db2.gz RSLUEFRUFDAZIH-GOSISDBHSA-N 2 2 349.478 3.409 20 30 EGEDLP C#CCOc1ccccc1C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000131112965 454236796 /nfs/dbraw/zinc/23/67/96/454236796.db2.gz ZXRDYPNZZZETIJ-GOSISDBHSA-N 2 2 349.478 3.409 20 30 EGEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000072974948 454374126 /nfs/dbraw/zinc/37/41/26/454374126.db2.gz RQSOWSJSXZDJJU-AABGKKOBSA-N 2 2 347.547 3.162 20 30 EGEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000072974948 454374130 /nfs/dbraw/zinc/37/41/30/454374130.db2.gz RQSOWSJSXZDJJU-AABGKKOBSA-N 2 2 347.547 3.162 20 30 EGEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000072974948 454374135 /nfs/dbraw/zinc/37/41/35/454374135.db2.gz RQSOWSJSXZDJJU-AABGKKOBSA-N 2 2 347.547 3.162 20 30 EGEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000072974948 454374141 /nfs/dbraw/zinc/37/41/41/454374141.db2.gz RQSOWSJSXZDJJU-AABGKKOBSA-N 2 2 347.547 3.162 20 30 EGEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(C#N)cc3Br)CC[C@H]21 ZINC000245528425 455321503 /nfs/dbraw/zinc/32/15/03/455321503.db2.gz BKNIJVKCJWFWAM-DOTOQJQBSA-N 2 2 348.288 3.237 20 30 EGEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(C#N)cc3Br)CC[C@H]21 ZINC000245528425 455321509 /nfs/dbraw/zinc/32/15/09/455321509.db2.gz BKNIJVKCJWFWAM-DOTOQJQBSA-N 2 2 348.288 3.237 20 30 EGEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(C#N)cc3Br)CC[C@H]21 ZINC000245528425 455321514 /nfs/dbraw/zinc/32/15/14/455321514.db2.gz BKNIJVKCJWFWAM-DOTOQJQBSA-N 2 2 348.288 3.237 20 30 EGEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3Br)CC[C@H]21 ZINC000245528425 455321519 /nfs/dbraw/zinc/32/15/19/455321519.db2.gz BKNIJVKCJWFWAM-DOTOQJQBSA-N 2 2 348.288 3.237 20 30 EGEDLP CCOCCC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000182057159 455426185 /nfs/dbraw/zinc/42/61/85/455426185.db2.gz GESMGFGLTUGWGU-UHFFFAOYSA-N 2 2 341.499 3.319 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc(Br)ccc2O)CC1 ZINC000185383400 455551389 /nfs/dbraw/zinc/55/13/89/455551389.db2.gz FKPPANKSSGBIDF-LBPRGKRZSA-N 2 2 339.277 3.456 20 30 EGEDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000268124579 455594700 /nfs/dbraw/zinc/59/47/00/455594700.db2.gz NMXTYIGLFQJDEP-JXFKEZNVSA-N 2 2 349.482 3.036 20 30 EGEDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000268124579 455594708 /nfs/dbraw/zinc/59/47/08/455594708.db2.gz NMXTYIGLFQJDEP-JXFKEZNVSA-N 2 2 349.482 3.036 20 30 EGEDLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H]3CCC[C@H](C#N)C3)CC2)c1 ZINC000185766049 455618764 /nfs/dbraw/zinc/61/87/64/455618764.db2.gz XKCIBOWVCIFPCI-PMACEKPBSA-N 2 2 340.515 3.179 20 30 EGEDLP C[NH+](C)C1CCN(c2ccc(NC3CCC(C)(C#N)CC3)[nH+]c2)CC1 ZINC000333312521 456198070 /nfs/dbraw/zinc/19/80/70/456198070.db2.gz NRZJKWAGXJWCSC-UHFFFAOYSA-N 2 2 341.503 3.496 20 30 EGEDLP N#Cc1ccc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c(F)c1 ZINC000343271874 456498955 /nfs/dbraw/zinc/49/89/55/456498955.db2.gz PHYKUZGSZIETQM-UHFFFAOYSA-N 2 2 334.398 3.274 20 30 EGEDLP COc1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)ccc1C#N ZINC000348192994 456527076 /nfs/dbraw/zinc/52/70/76/456527076.db2.gz NGTZYPIFYZQRBG-UHFFFAOYSA-N 2 2 332.407 3.101 20 30 EGEDLP COc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1C#N ZINC000348329753 456628198 /nfs/dbraw/zinc/62/81/98/456628198.db2.gz WCCZAELSHPYZBQ-NHCUHLMSSA-N 2 2 347.462 3.131 20 30 EGEDLP CN(C)c1[nH]c2ccc(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)cc2[nH+]1 ZINC000329268763 456863921 /nfs/dbraw/zinc/86/39/21/456863921.db2.gz DVKNKEZGRMYGNA-AWEZNQCLSA-N 2 2 329.448 3.481 20 30 EGEDLP CN(C)c1[nH]c2ccc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)cc2[nH+]1 ZINC000329268763 456863924 /nfs/dbraw/zinc/86/39/24/456863924.db2.gz DVKNKEZGRMYGNA-AWEZNQCLSA-N 2 2 329.448 3.481 20 30 EGEDLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(C#N)cc3OC(F)F)C2)C1 ZINC000339433715 457116806 /nfs/dbraw/zinc/11/68/06/457116806.db2.gz XZDSOEQUEUVNJZ-SFHVURJKSA-N 2 2 335.398 3.077 20 30 EGEDLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(C#N)cc3OC(F)F)C2)C1 ZINC000339433715 457116810 /nfs/dbraw/zinc/11/68/10/457116810.db2.gz XZDSOEQUEUVNJZ-SFHVURJKSA-N 2 2 335.398 3.077 20 30 EGEDLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(C#N)cc3OC(F)F)C2)C1 ZINC000339433715 457116812 /nfs/dbraw/zinc/11/68/12/457116812.db2.gz XZDSOEQUEUVNJZ-SFHVURJKSA-N 2 2 335.398 3.077 20 30 EGEDLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(C#N)cc3OC(F)F)C2)C1 ZINC000339433715 457116816 /nfs/dbraw/zinc/11/68/16/457116816.db2.gz XZDSOEQUEUVNJZ-SFHVURJKSA-N 2 2 335.398 3.077 20 30 EGEDLP N#Cc1cccc(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000361442762 457733436 /nfs/dbraw/zinc/73/34/36/457733436.db2.gz KVUVVFJOXIAOPF-UHFFFAOYSA-N 2 2 325.378 3.107 20 30 EGEDLP CC[N@H+]1C[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)[C@@H](C)C1 ZINC000358137582 457808088 /nfs/dbraw/zinc/80/80/88/457808088.db2.gz HJVXDGDHGHVOTR-RXQRSOPUSA-N 2 2 327.472 3.178 20 30 EGEDLP CC[N@@H+]1C[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)[C@@H](C)C1 ZINC000358137582 457808094 /nfs/dbraw/zinc/80/80/94/457808094.db2.gz HJVXDGDHGHVOTR-RXQRSOPUSA-N 2 2 327.472 3.178 20 30 EGEDLP N#Cc1ccc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435685656 458183492 /nfs/dbraw/zinc/18/34/92/458183492.db2.gz PDDMQRKXIKGJJX-KRWDZBQOSA-N 2 2 338.480 3.159 20 30 EGEDLP N#Cc1ccc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435685656 458183495 /nfs/dbraw/zinc/18/34/95/458183495.db2.gz PDDMQRKXIKGJJX-KRWDZBQOSA-N 2 2 338.480 3.159 20 30 EGEDLP N#Cc1ccc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435685657 458184087 /nfs/dbraw/zinc/18/40/87/458184087.db2.gz PDDMQRKXIKGJJX-QGZVFWFLSA-N 2 2 338.480 3.159 20 30 EGEDLP N#Cc1ccc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435685657 458184090 /nfs/dbraw/zinc/18/40/90/458184090.db2.gz PDDMQRKXIKGJJX-QGZVFWFLSA-N 2 2 338.480 3.159 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430563515 458462770 /nfs/dbraw/zinc/46/27/70/458462770.db2.gz WKJSTINGMFJTIR-OAHLLOKOSA-N 2 2 335.517 3.208 20 30 EGEDLP C=CCSc1ccccc1NC(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430563515 458462774 /nfs/dbraw/zinc/46/27/74/458462774.db2.gz WKJSTINGMFJTIR-OAHLLOKOSA-N 2 2 335.517 3.208 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC000496458187 459200095 /nfs/dbraw/zinc/20/00/95/459200095.db2.gz FUOKHINKXHMPSR-DOTOQJQBSA-N 2 2 337.508 3.014 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000497016058 459407665 /nfs/dbraw/zinc/40/76/65/459407665.db2.gz CEXIEZJYBKBUCK-RDJZCZTQSA-N 2 2 337.508 3.014 20 30 EGEDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598597862 459959825 /nfs/dbraw/zinc/95/98/25/459959825.db2.gz VMBNVHBHUCJIOD-SJORKVTESA-N 2 2 340.471 3.110 20 30 EGEDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598597862 459959827 /nfs/dbraw/zinc/95/98/27/459959827.db2.gz VMBNVHBHUCJIOD-SJORKVTESA-N 2 2 340.471 3.110 20 30 EGEDLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598610270 459963655 /nfs/dbraw/zinc/96/36/55/459963655.db2.gz YIAHCUUFQZOTDD-OALUTQOASA-N 2 2 331.504 3.033 20 30 EGEDLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598610270 459963659 /nfs/dbraw/zinc/96/36/59/459963659.db2.gz YIAHCUUFQZOTDD-OALUTQOASA-N 2 2 331.504 3.033 20 30 EGEDLP CCc1[nH+]c2cc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)ccc2n1C1CC1 ZINC000598728942 460009060 /nfs/dbraw/zinc/00/90/60/460009060.db2.gz XPQLBFCZILMBIB-INIZCTEOSA-N 2 2 340.471 3.324 20 30 EGEDLP CC[C@@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)c1ccc(C#N)cc1 ZINC000576427708 460138479 /nfs/dbraw/zinc/13/84/79/460138479.db2.gz LKRRCNGPRXUATK-LJQANCHMSA-N 2 2 329.488 3.488 20 30 EGEDLP C=C(C)[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(F)c(F)c1 ZINC000655757652 461424806 /nfs/dbraw/zinc/42/48/06/461424806.db2.gz WLWNBFVNAOIFPK-VQIMIIECSA-N 2 2 336.426 3.425 20 30 EGEDLP C[C@@H](Cc1ccc(O)cc1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181696052 534237807 /nfs/dbraw/zinc/23/78/07/534237807.db2.gz PVUYGXZLUJVEAT-KRWDZBQOSA-N 2 2 349.478 3.449 20 30 EGEDLP CC[N@@H+](Cc1cc(C#N)n(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000191387059 528764876 /nfs/dbraw/zinc/76/48/76/528764876.db2.gz HQBUWPNQABYQCN-UHFFFAOYSA-N 2 2 337.471 3.030 20 30 EGEDLP CC[N@H+](Cc1cc(C#N)n(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000191387059 528764878 /nfs/dbraw/zinc/76/48/78/528764878.db2.gz HQBUWPNQABYQCN-UHFFFAOYSA-N 2 2 337.471 3.030 20 30 EGEDLP CN(C)C(NCc1ccccc1)=[NH+]C[C@H](c1cccs1)[NH+](C)C ZINC000303774890 1296852054 /nfs/dbraw/zinc/85/20/54/1296852054.db2.gz GHVDGRFODUYFMO-MRXNPFEDSA-N 2 2 330.501 3.058 20 30 EGEDLP CCc1ccc([C@@H](CNC(=[NH2+])Nc2cccc(OC)c2)[NH+](C)C)cc1 ZINC000303778337 1296853462 /nfs/dbraw/zinc/85/34/62/1296853462.db2.gz JNHSSQSULZQLEC-LJQANCHMSA-N 2 2 340.471 3.287 20 30 EGEDLP CCc1ccc(NC(=[NH2+])NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000303866153 1296862125 /nfs/dbraw/zinc/86/21/25/1296862125.db2.gz CGWSAXDXDPVKLB-CQSZACIVSA-N 2 2 342.512 3.484 20 30 EGEDLP CCc1ccc(NC(=[NH2+])NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000303866153 1296862148 /nfs/dbraw/zinc/86/21/48/1296862148.db2.gz CGWSAXDXDPVKLB-CQSZACIVSA-N 2 2 342.512 3.484 20 30 EGEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000876730956 1298943897 /nfs/dbraw/zinc/94/38/97/1298943897.db2.gz MOBQWCVEICGVIQ-MRXNPFEDSA-N 2 2 344.846 3.295 20 30 EGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C)CC1 ZINC000902795885 1317617498 /nfs/dbraw/zinc/61/74/98/1317617498.db2.gz KPJYXQSBFJKHQQ-DOTOQJQBSA-N 2 2 337.508 3.014 20 30 EGEDLP CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000848575566 1321978414 /nfs/dbraw/zinc/97/84/14/1321978414.db2.gz SNPZOJUCEQQYAF-UXHICEINSA-N 2 2 326.488 3.143 20 30 EGEDLP CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000848575566 1321978418 /nfs/dbraw/zinc/97/84/18/1321978418.db2.gz SNPZOJUCEQQYAF-UXHICEINSA-N 2 2 326.488 3.143 20 30 EGEDLP C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025289252 1324112907 /nfs/dbraw/zinc/11/29/07/1324112907.db2.gz PAGCHMZUSPKWPP-IRXDYDNUSA-N 2 2 344.503 3.109 20 30 EGEDLP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025289252 1324112910 /nfs/dbraw/zinc/11/29/10/1324112910.db2.gz PAGCHMZUSPKWPP-IRXDYDNUSA-N 2 2 344.503 3.109 20 30 EGEDLP C=CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025422970 1324256648 /nfs/dbraw/zinc/25/66/48/1324256648.db2.gz OZHGSLNLGCGVLV-AEFFLSMTSA-N 2 2 340.471 3.049 20 30 EGEDLP C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025422970 1324256651 /nfs/dbraw/zinc/25/66/51/1324256651.db2.gz OZHGSLNLGCGVLV-AEFFLSMTSA-N 2 2 340.471 3.049 20 30 EGEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001054153878 1349157207 /nfs/dbraw/zinc/15/72/07/1349157207.db2.gz MDWLSAJBUUJXJF-FQEVSTJZSA-N 2 2 338.455 3.067 20 30 EGEDLP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001054153878 1349157208 /nfs/dbraw/zinc/15/72/08/1349157208.db2.gz MDWLSAJBUUJXJF-FQEVSTJZSA-N 2 2 338.455 3.067 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC001088777334 1360040791 /nfs/dbraw/zinc/04/07/91/1360040791.db2.gz RXIJGFRQGMJZJJ-APWZRJJASA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC001088777334 1360040793 /nfs/dbraw/zinc/04/07/93/1360040793.db2.gz RXIJGFRQGMJZJJ-APWZRJJASA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001071898355 1355013399 /nfs/dbraw/zinc/01/33/99/1355013399.db2.gz ZKTXURUKVANQMD-CRAIPNDOSA-N 2 2 349.906 3.083 20 30 EGEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001071898355 1355013404 /nfs/dbraw/zinc/01/34/04/1355013404.db2.gz ZKTXURUKVANQMD-CRAIPNDOSA-N 2 2 349.906 3.083 20 30 EGEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@H]1C ZINC001072099710 1355130168 /nfs/dbraw/zinc/13/01/68/1355130168.db2.gz WIXSKLZMMYRNRS-WBVHZDCISA-N 2 2 349.906 3.083 20 30 EGEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@H]1C ZINC001072099710 1355130170 /nfs/dbraw/zinc/13/01/70/1355130170.db2.gz WIXSKLZMMYRNRS-WBVHZDCISA-N 2 2 349.906 3.083 20 30 EGEDLP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001089693850 1360598792 /nfs/dbraw/zinc/59/87/92/1360598792.db2.gz PVOSXVGAJXWSIU-CVEARBPZSA-N 2 2 344.503 3.013 20 30 EGEDLP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001089693850 1360598797 /nfs/dbraw/zinc/59/87/97/1360598797.db2.gz PVOSXVGAJXWSIU-CVEARBPZSA-N 2 2 344.503 3.013 20 30 EGEDLP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001099363663 1363774573 /nfs/dbraw/zinc/77/45/73/1363774573.db2.gz BCALWXPABCLAJT-SFHVURJKSA-N 2 2 346.519 3.236 20 30 EGEDLP C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001099363663 1363774576 /nfs/dbraw/zinc/77/45/76/1363774576.db2.gz BCALWXPABCLAJT-SFHVURJKSA-N 2 2 346.519 3.236 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CC(C)(C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001101598244 1364648828 /nfs/dbraw/zinc/64/88/28/1364648828.db2.gz BCWLANMHOUHRNU-QGZVFWFLSA-N 2 2 346.519 3.092 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102415216 1365044844 /nfs/dbraw/zinc/04/48/44/1365044844.db2.gz ZEKOSIOTZTZJHE-GUDVDZBRSA-N 2 2 346.519 3.265 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102415216 1365044846 /nfs/dbraw/zinc/04/48/46/1365044846.db2.gz ZEKOSIOTZTZJHE-GUDVDZBRSA-N 2 2 346.519 3.265 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC001102613417 1365137602 /nfs/dbraw/zinc/13/76/02/1365137602.db2.gz ARMAEMWFVFSTCB-RTBURBONSA-N 2 2 348.535 3.318 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC001102613417 1365137604 /nfs/dbraw/zinc/13/76/04/1365137604.db2.gz ARMAEMWFVFSTCB-RTBURBONSA-N 2 2 348.535 3.318 20 30 EGEDLP C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)CCC1 ZINC001105542107 1366520642 /nfs/dbraw/zinc/52/06/42/1366520642.db2.gz PPLQPDLVVCHCHM-SFHVURJKSA-N 2 2 344.503 3.059 20 30 EGEDLP C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)CCC1 ZINC001105542107 1366520643 /nfs/dbraw/zinc/52/06/43/1366520643.db2.gz PPLQPDLVVCHCHM-SFHVURJKSA-N 2 2 344.503 3.059 20 30 EGEDLP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001106710236 1366777697 /nfs/dbraw/zinc/77/76/97/1366777697.db2.gz CCHXJHQOUZEYGW-GUDVDZBRSA-N 2 2 348.535 3.489 20 30 EGEDLP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001107076374 1366870773 /nfs/dbraw/zinc/87/07/73/1366870773.db2.gz SFMJRRXVUJPLAL-RTBURBONSA-N 2 2 348.535 3.318 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561285 1367044862 /nfs/dbraw/zinc/04/48/62/1367044862.db2.gz HLWPFSMOGBUMMS-NLWGTHIKSA-N 2 2 344.503 3.161 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561285 1367044866 /nfs/dbraw/zinc/04/48/66/1367044866.db2.gz HLWPFSMOGBUMMS-NLWGTHIKSA-N 2 2 344.503 3.161 20 30 EGEDLP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001109826744 1367343200 /nfs/dbraw/zinc/34/32/00/1367343200.db2.gz WWEFMTCTGQFZKG-NQYYFHDYSA-N 2 2 346.519 3.280 20 30 EGEDLP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001109826744 1367343206 /nfs/dbraw/zinc/34/32/06/1367343206.db2.gz WWEFMTCTGQFZKG-NQYYFHDYSA-N 2 2 346.519 3.280 20 30 EGEDLP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001109826744 1367343214 /nfs/dbraw/zinc/34/32/14/1367343214.db2.gz WWEFMTCTGQFZKG-NQYYFHDYSA-N 2 2 346.519 3.280 20 30 EGEDLP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001109826744 1367343220 /nfs/dbraw/zinc/34/32/20/1367343220.db2.gz WWEFMTCTGQFZKG-NQYYFHDYSA-N 2 2 346.519 3.280 20 30 EGEDLP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001190889382 1367376223 /nfs/dbraw/zinc/37/62/23/1367376223.db2.gz JBMUFCNLKSECIK-GOSISDBHSA-N 2 2 347.503 3.136 20 30 EGEDLP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001190889382 1367376228 /nfs/dbraw/zinc/37/62/28/1367376228.db2.gz JBMUFCNLKSECIK-GOSISDBHSA-N 2 2 347.503 3.136 20 30 EGEDLP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001190899109 1367378590 /nfs/dbraw/zinc/37/85/90/1367378590.db2.gz HLIUHBRUDHZJQI-GOSISDBHSA-N 2 2 348.535 3.430 20 30 EGEDLP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001190899109 1367378594 /nfs/dbraw/zinc/37/85/94/1367378594.db2.gz HLIUHBRUDHZJQI-GOSISDBHSA-N 2 2 348.535 3.430 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001111774007 1368455295 /nfs/dbraw/zinc/45/52/95/1368455295.db2.gz ZMSFQAHWPCVOLH-PXNSSMCTSA-N 2 2 346.519 3.283 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001111774007 1368455299 /nfs/dbraw/zinc/45/52/99/1368455299.db2.gz ZMSFQAHWPCVOLH-PXNSSMCTSA-N 2 2 346.519 3.283 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001111774007 1368455303 /nfs/dbraw/zinc/45/53/03/1368455303.db2.gz ZMSFQAHWPCVOLH-PXNSSMCTSA-N 2 2 346.519 3.283 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001111774007 1368455306 /nfs/dbraw/zinc/45/53/06/1368455306.db2.gz ZMSFQAHWPCVOLH-PXNSSMCTSA-N 2 2 346.519 3.283 20 30 EGEDLP C=CCCCCC[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001113683975 1369564178 /nfs/dbraw/zinc/56/41/78/1369564178.db2.gz GCGNFKLLWQEBOW-HXUWFJFHSA-N 2 2 343.515 3.180 20 30 EGEDLP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001205500081 1370773407 /nfs/dbraw/zinc/77/34/07/1370773407.db2.gz DSOPYVXEHVZDNU-LJQANCHMSA-N 2 2 346.519 3.265 20 30 EGEDLP COc1ccc(N[NH+]=Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc1 ZINC001116354091 1370892520 /nfs/dbraw/zinc/89/25/20/1370892520.db2.gz RUXPYOJUPMCTPL-UHFFFAOYSA-N 2 2 342.418 3.032 20 30 EGEDLP O=C1C=C2C[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)CCC2S1 ZINC001207288785 1371351229 /nfs/dbraw/zinc/35/12/29/1371351229.db2.gz CUUAUZPXYPYCKX-IBGZPJMESA-N 2 2 342.508 3.173 20 30 EGEDLP O=C1C=C2C[N@H+](CC3CC[NH+](Cc4ccccc4)CC3)CCC2S1 ZINC001207288785 1371351233 /nfs/dbraw/zinc/35/12/33/1371351233.db2.gz CUUAUZPXYPYCKX-IBGZPJMESA-N 2 2 342.508 3.173 20 30 EGEDLP O=C1C=C2C[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)CC[C@@H]2S1 ZINC001207288785 1371351238 /nfs/dbraw/zinc/35/12/38/1371351238.db2.gz CUUAUZPXYPYCKX-IBGZPJMESA-N 2 2 342.508 3.173 20 30 EGEDLP O=C1C=C2C[N@H+](CC3CC[NH+](Cc4ccccc4)CC3)CC[C@@H]2S1 ZINC001207288785 1371351244 /nfs/dbraw/zinc/35/12/44/1371351244.db2.gz CUUAUZPXYPYCKX-IBGZPJMESA-N 2 2 342.508 3.173 20 30 EGEDLP Cc1cccc([C@H](O)C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC001120503367 1371593592 /nfs/dbraw/zinc/59/35/92/1371593592.db2.gz PBMUZSLBCCYQJO-JOCHJYFZSA-N 2 2 349.478 3.154 20 30 EGEDLP C=CCCC[NH2+]C1CC2(CC(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001121294992 1371926131 /nfs/dbraw/zinc/92/61/31/1371926131.db2.gz KQRHTAODLREOTH-UHFFFAOYSA-N 2 2 338.455 3.160 20 30 EGEDLP CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001210049822 1372262163 /nfs/dbraw/zinc/26/21/63/1372262163.db2.gz ABOWVGAMBLLAOX-IRXDYDNUSA-N 2 2 334.508 3.139 20 30 EGEDLP CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001210049822 1372262168 /nfs/dbraw/zinc/26/21/68/1372262168.db2.gz ABOWVGAMBLLAOX-IRXDYDNUSA-N 2 2 334.508 3.139 20 30 EGEDLP C=C(C[NH+]1CCCCC1)c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001211436116 1372559075 /nfs/dbraw/zinc/55/90/75/1372559075.db2.gz BEPKHBGLAWIWRJ-UHFFFAOYSA-N 2 2 335.411 3.421 20 30 EGEDLP Cc1[nH]c2ccc(Nc3ccc(N4CC[NH+](C)CC4)c(C#N)c3)cc2[nH+]1 ZINC001213074462 1372834975 /nfs/dbraw/zinc/83/49/75/1372834975.db2.gz VQIFJYHEMKITCQ-UHFFFAOYSA-N 2 2 346.438 3.238 20 30 EGEDLP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001132919183 1375643522 /nfs/dbraw/zinc/64/35/22/1375643522.db2.gz FIBAQMJASZNAPM-DOMZBBRYSA-N 2 2 346.862 3.003 20 30 EGEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC[C@@H]1C ZINC001133002611 1375705005 /nfs/dbraw/zinc/70/50/05/1375705005.db2.gz UARYGQPXERRLCS-KBXCAEBGSA-N 2 2 329.488 3.271 20 30 EGEDLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(C#N)cc4O)C[C@H]3C2)cc1 ZINC001233384911 1376633794 /nfs/dbraw/zinc/63/37/94/1376633794.db2.gz MYFOUEXPNDQKAU-NHCUHLMSSA-N 2 2 347.462 3.136 20 30 EGEDLP CCCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001135057517 1376873249 /nfs/dbraw/zinc/87/32/49/1376873249.db2.gz WLCLFGLOWNXLML-SJORKVTESA-N 2 2 336.524 3.196 20 30 EGEDLP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001158128828 1381137160 /nfs/dbraw/zinc/13/71/60/1381137160.db2.gz NYKKWJMQQZPXKW-MRXNPFEDSA-N 2 2 326.444 3.066 20 30 EGEDLP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001158128828 1381137166 /nfs/dbraw/zinc/13/71/66/1381137166.db2.gz NYKKWJMQQZPXKW-MRXNPFEDSA-N 2 2 326.444 3.066 20 30 EGEDLP CCCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001158955185 1381484292 /nfs/dbraw/zinc/48/42/92/1381484292.db2.gz CXMRXRFNQGKGCE-GOSISDBHSA-N 2 2 334.508 3.166 20 30 EGEDLP CCCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001158955185 1381484298 /nfs/dbraw/zinc/48/42/98/1381484298.db2.gz CXMRXRFNQGKGCE-GOSISDBHSA-N 2 2 334.508 3.166 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001166138541 1383394420 /nfs/dbraw/zinc/39/44/20/1383394420.db2.gz OSZMCCCXIBJFII-MRXNPFEDSA-N 2 2 340.471 3.179 20 30 EGEDLP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001171604156 1384577138 /nfs/dbraw/zinc/57/71/38/1384577138.db2.gz HEFOYIFLCGRATB-DOTOQJQBSA-N 2 2 346.519 3.054 20 30 EGEDLP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001171604156 1384577143 /nfs/dbraw/zinc/57/71/43/1384577143.db2.gz HEFOYIFLCGRATB-DOTOQJQBSA-N 2 2 346.519 3.054 20 30 EGEDLP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001172290614 1384760916 /nfs/dbraw/zinc/76/09/16/1384760916.db2.gz QXESCDFCPAJXCR-SFHVURJKSA-N 2 2 349.478 3.111 20 30 EGEDLP C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001317936345 1385575407 /nfs/dbraw/zinc/57/54/07/1385575407.db2.gz RCZGMFASBPVKOL-GOSISDBHSA-N 2 2 346.519 3.254 20 30 EGEDLP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001317936345 1385575409 /nfs/dbraw/zinc/57/54/09/1385575409.db2.gz RCZGMFASBPVKOL-GOSISDBHSA-N 2 2 346.519 3.254 20 30 EGEDLP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001178881417 1386337932 /nfs/dbraw/zinc/33/79/32/1386337932.db2.gz VZLKPXMZAPDJIO-QGZVFWFLSA-N 2 2 346.519 3.055 20 30 EGEDLP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001178881417 1386337936 /nfs/dbraw/zinc/33/79/36/1386337936.db2.gz VZLKPXMZAPDJIO-QGZVFWFLSA-N 2 2 346.519 3.055 20 30 EGEDLP C=C(C)CCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001336975029 1389225481 /nfs/dbraw/zinc/22/54/81/1389225481.db2.gz XQFCKKZCZDZTKE-OALUTQOASA-N 2 2 335.536 3.138 20 30 EGEDLP C=C(C)CCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001336975029 1389225484 /nfs/dbraw/zinc/22/54/84/1389225484.db2.gz XQFCKKZCZDZTKE-OALUTQOASA-N 2 2 335.536 3.138 20 30 EGEDLP CCCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001752432305 1440178829 /nfs/dbraw/zinc/17/88/29/1440178829.db2.gz SVGPNIJKKWGUMY-SFHVURJKSA-N 2 2 346.519 3.202 20 30 EGEDLP C=CCC[C@H](C)[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001752992774 1440260151 /nfs/dbraw/zinc/26/01/51/1440260151.db2.gz SKYUAQLAHFUHNL-ROUUACIJSA-N 2 2 346.519 3.204 20 30 EGEDLP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001752992774 1440260152 /nfs/dbraw/zinc/26/01/52/1440260152.db2.gz SKYUAQLAHFUHNL-ROUUACIJSA-N 2 2 346.519 3.204 20 30 EGEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1CC ZINC001754465318 1440604115 /nfs/dbraw/zinc/60/41/15/1440604115.db2.gz RIAJUBWSLAROHO-WBVHZDCISA-N 2 2 340.471 3.359 20 30 EGEDLP N#Cc1ccccc1N1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000101554643 162050132 /nfs/dbraw/zinc/05/01/32/162050132.db2.gz IXGCYSBUEQEARE-UHFFFAOYSA-N 2 2 343.434 3.066 20 30 EGEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cccc(C#N)c1 ZINC000344104693 164104330 /nfs/dbraw/zinc/10/43/30/164104330.db2.gz PUTCWKDGDVNTLH-BULFRSBZSA-N 2 2 349.478 3.092 20 30 EGEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cccc(C#N)c1 ZINC000344104693 164104332 /nfs/dbraw/zinc/10/43/32/164104332.db2.gz PUTCWKDGDVNTLH-BULFRSBZSA-N 2 2 349.478 3.092 20 30 EGEDLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCOCC1 ZINC000344128723 164110142 /nfs/dbraw/zinc/11/01/42/164110142.db2.gz IPXALZWUFAAEPG-NRFANRHFSA-N 2 2 341.499 3.317 20 30 EGEDLP C[NH+](C)[C@@]1(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CCSC1 ZINC000360655572 167380979 /nfs/dbraw/zinc/38/09/79/167380979.db2.gz DKNLOMHIVXTYRW-RTBURBONSA-N 2 2 329.513 3.353 20 30 EGEDLP CN(C)c1cccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000271913444 266520712 /nfs/dbraw/zinc/52/07/12/266520712.db2.gz YGLJHAXJGOQRHU-UHFFFAOYSA-N 2 2 348.494 3.378 20 30 EGEDLP C[C@]1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCC[C@H]1O ZINC000271876016 267260822 /nfs/dbraw/zinc/26/08/22/267260822.db2.gz OBWSJDRSQLGQOP-NHCUHLMSSA-N 2 2 341.499 3.053 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3COc4ccccc43)CC2)cc1 ZINC000290292038 268066016 /nfs/dbraw/zinc/06/60/16/268066016.db2.gz MXIMAISWMFEHES-LJQANCHMSA-N 2 2 347.462 3.288 20 30 EGEDLP N#Cc1ccc(N2CCC([NH2+]CCCCNc3cccc[nH+]3)CC2)cc1 ZINC000286253640 268107350 /nfs/dbraw/zinc/10/73/50/268107350.db2.gz UNSPQFWFFCBWON-UHFFFAOYSA-N 2 2 349.482 3.404 20 30 EGEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000189998962 276315344 /nfs/dbraw/zinc/31/53/44/276315344.db2.gz RDPSJDDFIABPRC-YLJYHZDGSA-N 2 2 348.918 3.418 20 30 EGEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000189998962 276315346 /nfs/dbraw/zinc/31/53/46/276315346.db2.gz RDPSJDDFIABPRC-YLJYHZDGSA-N 2 2 348.918 3.418 20 30 EGEDLP C[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000552225791 315207001 /nfs/dbraw/zinc/20/70/01/315207001.db2.gz NZAWPAKVUPLDEQ-ROUUACIJSA-N 2 2 340.515 3.380 20 30 EGEDLP C[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000552225791 315207005 /nfs/dbraw/zinc/20/70/05/315207005.db2.gz NZAWPAKVUPLDEQ-ROUUACIJSA-N 2 2 340.515 3.380 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3cnc(C4CC4)o3)CC2)cc1 ZINC000565932487 316389737 /nfs/dbraw/zinc/38/97/37/316389737.db2.gz RNRXMLWHCWZUSE-UHFFFAOYSA-N 2 2 336.439 3.178 20 30 EGEDLP C=C(C)COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1OC ZINC000151103469 454938037 /nfs/dbraw/zinc/93/80/37/454938037.db2.gz ZLQAHWSFAQGPNO-NVXWUHKLSA-N 2 2 330.472 3.365 20 30 EGEDLP C=C(C)COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccc1OC ZINC000151103469 454938039 /nfs/dbraw/zinc/93/80/39/454938039.db2.gz ZLQAHWSFAQGPNO-NVXWUHKLSA-N 2 2 330.472 3.365 20 30 EGEDLP C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000237598016 455197496 /nfs/dbraw/zinc/19/74/96/455197496.db2.gz XXJWMXJTFONUML-MRXNPFEDSA-N 2 2 332.407 3.453 20 30 EGEDLP N#Cc1c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn2ccccc12 ZINC000246948575 455538449 /nfs/dbraw/zinc/53/84/49/455538449.db2.gz UMCHJBSJFCPOMG-OXJNMPFZSA-N 2 2 334.467 3.260 20 30 EGEDLP N#Cc1c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn2ccccc12 ZINC000246948575 455538453 /nfs/dbraw/zinc/53/84/53/455538453.db2.gz UMCHJBSJFCPOMG-OXJNMPFZSA-N 2 2 334.467 3.260 20 30 EGEDLP N#Cc1c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn2ccccc12 ZINC000246948575 455538456 /nfs/dbraw/zinc/53/84/56/455538456.db2.gz UMCHJBSJFCPOMG-OXJNMPFZSA-N 2 2 334.467 3.260 20 30 EGEDLP C[NH+](C)C1CCN(c2ccc(NCc3ccc(C#N)s3)[nH+]c2)CC1 ZINC000269158926 455800136 /nfs/dbraw/zinc/80/01/36/455800136.db2.gz SYKHHHLRVJODJZ-UHFFFAOYSA-N 2 2 341.484 3.157 20 30 EGEDLP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(C#N)cc1 ZINC000278281629 455804902 /nfs/dbraw/zinc/80/49/02/455804902.db2.gz QCRMQZYSWMSVIX-YADHBBJMSA-N 2 2 349.478 3.018 20 30 EGEDLP CC[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(C#N)cc1 ZINC000278281629 455804907 /nfs/dbraw/zinc/80/49/07/455804907.db2.gz QCRMQZYSWMSVIX-YADHBBJMSA-N 2 2 349.478 3.018 20 30 EGEDLP C=CC[NH+](CC=C)[C@@H](CN[C@H](c1[nH]cc[nH+]1)c1cccnc1)C(C)C ZINC000279985119 455878917 /nfs/dbraw/zinc/87/89/17/455878917.db2.gz DVXJASIFYDAOLH-OALUTQOASA-N 2 2 339.487 3.182 20 30 EGEDLP [NH2+]=C(NCc1ccccc1Cn1cc[nH+]c1)NC1CCCCCC1 ZINC000271279998 456203518 /nfs/dbraw/zinc/20/35/18/456203518.db2.gz QADCXXQZRDGMKQ-UHFFFAOYSA-N 2 2 325.460 3.059 20 30 EGEDLP C=CCC[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccco1 ZINC000340505219 456497522 /nfs/dbraw/zinc/49/75/22/456497522.db2.gz NJZTWLADWZCFRX-UXHICEINSA-N 2 2 340.467 3.296 20 30 EGEDLP N#Cc1ccccc1COc1cccc(C[NH2+]CC[NH+]2CCCC2)c1 ZINC000343443198 456624222 /nfs/dbraw/zinc/62/42/22/456624222.db2.gz HKIRNEXLCACCCS-UHFFFAOYSA-N 2 2 335.451 3.323 20 30 EGEDLP CCC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2c2[nH+]ccn2CC)CC1 ZINC000330243582 457010826 /nfs/dbraw/zinc/01/08/26/457010826.db2.gz CRSIKZUCEIGJJK-QGZVFWFLSA-N 2 2 347.507 3.218 20 30 EGEDLP Cc1ccc(CCC[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c[nH+]1 ZINC000361795598 457865534 /nfs/dbraw/zinc/86/55/34/457865534.db2.gz DSAVEGNXHHTTJF-UHFFFAOYSA-N 2 2 338.430 3.156 20 30 EGEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1cc(C)[nH+]c(C)c1)C(C)C ZINC000420855318 458402024 /nfs/dbraw/zinc/40/20/24/458402024.db2.gz WGOZVGOUYVIKOB-IBGZPJMESA-N 2 2 344.503 3.196 20 30 EGEDLP C=CCC1(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CCCCC1 ZINC000450362312 458446132 /nfs/dbraw/zinc/44/61/32/458446132.db2.gz HNQDAEYCBOFYGX-GOSISDBHSA-N 2 2 347.547 3.140 20 30 EGEDLP C=CCC1(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CCCCC1 ZINC000450362312 458446137 /nfs/dbraw/zinc/44/61/37/458446137.db2.gz HNQDAEYCBOFYGX-GOSISDBHSA-N 2 2 347.547 3.140 20 30 EGEDLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@H]([NH3+])CCCC#N)c1 ZINC000424146382 458570243 /nfs/dbraw/zinc/57/02/43/458570243.db2.gz PNFISZCVADMZFJ-QGZVFWFLSA-N 2 2 339.443 3.310 20 30 EGEDLP N#C[C@@H]1CC[C@H]([NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000442777851 459033940 /nfs/dbraw/zinc/03/39/40/459033940.db2.gz AMYUGQBGEDSNNG-AEFFLSMTSA-N 2 2 346.906 3.134 20 30 EGEDLP CC(C)(C)OCCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000594977569 459202356 /nfs/dbraw/zinc/20/23/56/459202356.db2.gz UCCAGJNEVVDJCF-UHFFFAOYSA-N 2 2 329.488 3.317 20 30 EGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CCOC4(CCC4)C3)CC2)c1 ZINC000593691860 459952543 /nfs/dbraw/zinc/95/25/43/459952543.db2.gz QOQFUBGOJVEYEG-HXUWFJFHSA-N 2 2 339.483 3.214 20 30 EGEDLP N#Cc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000602484705 459961553 /nfs/dbraw/zinc/96/15/53/459961553.db2.gz LYEJRZZBYZDHFV-UGKGYDQZSA-N 2 2 346.478 3.440 20 30 EGEDLP N#Cc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000602484705 459961558 /nfs/dbraw/zinc/96/15/58/459961558.db2.gz LYEJRZZBYZDHFV-UGKGYDQZSA-N 2 2 346.478 3.440 20 30 EGEDLP N#Cc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000602484705 459961560 /nfs/dbraw/zinc/96/15/60/459961560.db2.gz LYEJRZZBYZDHFV-UGKGYDQZSA-N 2 2 346.478 3.440 20 30 EGEDLP N#Cc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000602484705 459961565 /nfs/dbraw/zinc/96/15/65/459961565.db2.gz LYEJRZZBYZDHFV-UGKGYDQZSA-N 2 2 346.478 3.440 20 30 EGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602540586 459990581 /nfs/dbraw/zinc/99/05/81/459990581.db2.gz QRQZFFWLPLTMQU-UHFFFAOYSA-N 2 2 343.349 3.354 20 30 EGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000602569213 460001138 /nfs/dbraw/zinc/00/11/38/460001138.db2.gz PIDBLLJUPUZSFB-HBFSDRIKSA-N 2 2 341.499 3.338 20 30 EGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000602569213 460001145 /nfs/dbraw/zinc/00/11/45/460001145.db2.gz PIDBLLJUPUZSFB-HBFSDRIKSA-N 2 2 341.499 3.338 20 30 EGEDLP CO[C@H](C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)CC(C)C ZINC000602706973 460076380 /nfs/dbraw/zinc/07/63/80/460076380.db2.gz RMQDUJMLVKELCL-FQEVSTJZSA-N 2 2 329.488 3.173 20 30 EGEDLP Cc1nc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000611438378 460365667 /nfs/dbraw/zinc/36/56/67/460365667.db2.gz OGMQSMSQSHOTPU-UHFFFAOYSA-N 2 2 326.469 3.077 20 30 EGEDLP C=CCOc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000655857545 461505922 /nfs/dbraw/zinc/50/59/22/461505922.db2.gz VUGXLBMJKPZNJC-MSOLQXFVSA-N 2 2 330.472 3.367 20 30 EGEDLP C=CCOc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000655857545 461505929 /nfs/dbraw/zinc/50/59/29/461505929.db2.gz VUGXLBMJKPZNJC-MSOLQXFVSA-N 2 2 330.472 3.367 20 30 EGEDLP C=CCOc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000655857547 461507409 /nfs/dbraw/zinc/50/74/09/461507409.db2.gz VUGXLBMJKPZNJC-ROUUACIJSA-N 2 2 330.472 3.367 20 30 EGEDLP C=CCOc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000655857547 461507413 /nfs/dbraw/zinc/50/74/13/461507413.db2.gz VUGXLBMJKPZNJC-ROUUACIJSA-N 2 2 330.472 3.367 20 30 EGEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660674955 461920371 /nfs/dbraw/zinc/92/03/71/461920371.db2.gz VPDOPRIKKAMYBV-GOSISDBHSA-N 2 2 343.515 3.054 20 30 EGEDLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(C#N)n(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000191348730 533893545 /nfs/dbraw/zinc/89/35/45/533893545.db2.gz VESNNERGTFPQNT-YLJYHZDGSA-N 2 2 336.483 3.382 20 30 EGEDLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(C#N)n(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000191348730 533893551 /nfs/dbraw/zinc/89/35/51/533893551.db2.gz VESNNERGTFPQNT-YLJYHZDGSA-N 2 2 336.483 3.382 20 30 EGEDLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(C#N)n(C)c2)CC[NH+]1Cc1ccccc1 ZINC000191348730 533893556 /nfs/dbraw/zinc/89/35/56/533893556.db2.gz VESNNERGTFPQNT-YLJYHZDGSA-N 2 2 336.483 3.382 20 30 EGEDLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(C#N)n(C)c2)CC[NH+]1Cc1ccccc1 ZINC000191348730 533893566 /nfs/dbraw/zinc/89/35/66/533893566.db2.gz VESNNERGTFPQNT-YLJYHZDGSA-N 2 2 336.483 3.382 20 30 EGEDLP C[C@]1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCS1 ZINC000181892822 534176233 /nfs/dbraw/zinc/17/62/33/534176233.db2.gz RLIRFIZYGQWCAC-LJQANCHMSA-N 2 2 329.513 3.398 20 30 EGEDLP C[NH+](C)[C@@H]1CCN(c2ccc(NC3CCC(C)(C#N)CC3)[nH+]c2)C1 ZINC000333252452 547532164 /nfs/dbraw/zinc/53/21/64/547532164.db2.gz DQNPGKRNEPLEOF-URSIVYNOSA-N 2 2 327.476 3.106 20 30 EGEDLP Oc1ccc(/C=[NH+]/CC2CC[NH+](Cc3ccccc3)CC2)c(O)c1O ZINC000194314243 1295965760 /nfs/dbraw/zinc/96/57/60/1295965760.db2.gz PJDIMUSBHOIEQP-FYJGNVAPSA-N 2 2 340.423 3.135 20 30 EGEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])Nc1cccc(OC)c1)c1ccco1 ZINC000303882328 1296866373 /nfs/dbraw/zinc/86/63/73/1296866373.db2.gz LHXFYJOSQNXPBA-INIZCTEOSA-N 2 2 330.432 3.098 20 30 EGEDLP C[C@@H](CNC(=[NH2+])NC1CCCCCC1)[N@@H+]1CCc2sccc2C1 ZINC000305745373 1297041631 /nfs/dbraw/zinc/04/16/31/1297041631.db2.gz OAJBVLYZYJYCAQ-AWEZNQCLSA-N 2 2 334.533 3.122 20 30 EGEDLP C[C@@H](CNC(=[NH2+])NC1CCCCCC1)[N@H+]1CCc2sccc2C1 ZINC000305745373 1297041636 /nfs/dbraw/zinc/04/16/36/1297041636.db2.gz OAJBVLYZYJYCAQ-AWEZNQCLSA-N 2 2 334.533 3.122 20 30 EGEDLP Oc1cccc(/C=[NH+]\CC2CC[NH+](Cc3cccs3)CC2)c1O ZINC000747033824 1298712339 /nfs/dbraw/zinc/71/23/39/1298712339.db2.gz ZRYFGPMJTZYIFO-UNOMPAQXSA-N 2 2 330.453 3.490 20 30 EGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C[C@@H]3CC3(Cl)Cl)CC2)c1 ZINC000877614997 1299432655 /nfs/dbraw/zinc/43/26/55/1299432655.db2.gz LFEPUIFGDXUWEK-HNNXBMFYSA-N 2 2 338.282 3.306 20 30 EGEDLP C=CCC[NH+]1CCC2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)CC1 ZINC000957614790 1317498385 /nfs/dbraw/zinc/49/83/85/1317498385.db2.gz OGGNBBBWCBPBGC-SFHVURJKSA-N 2 2 344.503 3.115 20 30 EGEDLP CC[C@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)c1cccc(C#N)c1 ZINC000902797771 1317617860 /nfs/dbraw/zinc/61/78/60/1317617860.db2.gz YTKTXBDSRTZAKP-IBGZPJMESA-N 2 2 329.488 3.488 20 30 EGEDLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)cn1 ZINC000810210965 1317977273 /nfs/dbraw/zinc/97/72/73/1317977273.db2.gz IJLUGEKNKNJPTK-IBGZPJMESA-N 2 2 329.407 3.225 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001023369222 1319481666 /nfs/dbraw/zinc/48/16/66/1319481666.db2.gz CCOVVPOODAKWAG-QGZVFWFLSA-N 2 2 340.471 3.051 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001023369222 1319481672 /nfs/dbraw/zinc/48/16/72/1319481672.db2.gz CCOVVPOODAKWAG-QGZVFWFLSA-N 2 2 340.471 3.051 20 30 EGEDLP C=C(C)CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000966103399 1328183860 /nfs/dbraw/zinc/18/38/60/1328183860.db2.gz LOILNRHFMPTSTI-MAUKXSAKSA-N 2 2 340.471 3.049 20 30 EGEDLP C=C(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000966103399 1328183865 /nfs/dbraw/zinc/18/38/65/1328183865.db2.gz LOILNRHFMPTSTI-MAUKXSAKSA-N 2 2 340.471 3.049 20 30 EGEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000947877254 1333287855 /nfs/dbraw/zinc/28/78/55/1333287855.db2.gz BGYATSJXRACHLT-WMZOPIPTSA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000947877254 1333287857 /nfs/dbraw/zinc/28/78/57/1333287857.db2.gz BGYATSJXRACHLT-WMZOPIPTSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000948372673 1333499004 /nfs/dbraw/zinc/49/90/04/1333499004.db2.gz GVOVKNGWUOVIBI-GOSISDBHSA-N 2 2 340.471 3.145 20 30 EGEDLP C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000948372673 1333499006 /nfs/dbraw/zinc/49/90/06/1333499006.db2.gz GVOVKNGWUOVIBI-GOSISDBHSA-N 2 2 340.471 3.145 20 30 EGEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1CC ZINC001037855045 1344140752 /nfs/dbraw/zinc/14/07/52/1344140752.db2.gz NBOUPOGHUBXYMT-AEFFLSMTSA-N 2 2 340.471 3.049 20 30 EGEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1CC ZINC001037885914 1344160900 /nfs/dbraw/zinc/16/09/00/1344160900.db2.gz VGVUCYFARIQSRC-UKRRQHHQSA-N 2 2 346.862 3.146 20 30 EGEDLP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001040422974 1345489266 /nfs/dbraw/zinc/48/92/66/1345489266.db2.gz BMIZORIHRXRHKC-AZUAARDMSA-N 2 2 344.503 3.115 20 30 EGEDLP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001040422974 1345489268 /nfs/dbraw/zinc/48/92/68/1345489268.db2.gz BMIZORIHRXRHKC-AZUAARDMSA-N 2 2 344.503 3.115 20 30 EGEDLP C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053088316 1348913527 /nfs/dbraw/zinc/91/35/27/1348913527.db2.gz SPCSIVGPGHGCPB-HKUYNNGSSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053088316 1348913531 /nfs/dbraw/zinc/91/35/31/1348913531.db2.gz SPCSIVGPGHGCPB-HKUYNNGSSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053088316 1348913539 /nfs/dbraw/zinc/91/35/39/1348913539.db2.gz SPCSIVGPGHGCPB-HKUYNNGSSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053088316 1348913541 /nfs/dbraw/zinc/91/35/41/1348913541.db2.gz SPCSIVGPGHGCPB-HKUYNNGSSA-N 2 2 344.503 3.012 20 30 EGEDLP C=C(C)CC[N@H+]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@H]1C ZINC001071510636 1354735145 /nfs/dbraw/zinc/73/51/45/1354735145.db2.gz DGQACPRRFVBLFQ-CRAIPNDOSA-N 2 2 340.471 3.192 20 30 EGEDLP C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@H]1C ZINC001071510636 1354735147 /nfs/dbraw/zinc/73/51/47/1354735147.db2.gz DGQACPRRFVBLFQ-CRAIPNDOSA-N 2 2 340.471 3.192 20 30 EGEDLP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001085198204 1358431233 /nfs/dbraw/zinc/43/12/33/1358431233.db2.gz HYCSTNNIICKLOG-HZPDHXFCSA-N 2 2 346.862 3.026 20 30 EGEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001089692973 1360598214 /nfs/dbraw/zinc/59/82/14/1360598214.db2.gz GDPGSHUUDNUIOS-HZPDHXFCSA-N 2 2 344.503 3.013 20 30 EGEDLP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001089692973 1360598217 /nfs/dbraw/zinc/59/82/17/1360598217.db2.gz GDPGSHUUDNUIOS-HZPDHXFCSA-N 2 2 344.503 3.013 20 30 EGEDLP C[C@H](N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccccc1 ZINC001324230668 1387562149 /nfs/dbraw/zinc/56/21/49/1387562149.db2.gz IAIUZTQZMMXDQK-INIZCTEOSA-N 2 2 340.446 3.262 20 30 EGEDLP C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001101536619 1364605316 /nfs/dbraw/zinc/60/53/16/1364605316.db2.gz QYUMJHJEQXCULS-UHFFFAOYSA-N 2 2 346.519 3.163 20 30 EGEDLP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001104352326 1365983139 /nfs/dbraw/zinc/98/31/39/1365983139.db2.gz PJILHFDYACTGJZ-HZPDHXFCSA-N 2 2 340.471 3.217 20 30 EGEDLP C=CCCCCC[N@@H+]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001196287481 1368584090 /nfs/dbraw/zinc/58/40/90/1368584090.db2.gz CXEQTLZWGBMEAO-UHFFFAOYSA-N 2 2 340.471 3.457 20 30 EGEDLP C=CCCCCC[N@H+]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001196287481 1368584094 /nfs/dbraw/zinc/58/40/94/1368584094.db2.gz CXEQTLZWGBMEAO-UHFFFAOYSA-N 2 2 340.471 3.457 20 30 EGEDLP CCCCCCC[NH+]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001113391819 1369392866 /nfs/dbraw/zinc/39/28/66/1369392866.db2.gz VLHYUGOBQJLVSR-UHFFFAOYSA-N 2 2 334.508 3.121 20 30 EGEDLP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C12CCC2 ZINC001203078003 1369974735 /nfs/dbraw/zinc/97/47/35/1369974735.db2.gz KEJXPWSKNTXIQR-ROUUACIJSA-N 2 2 338.455 3.160 20 30 EGEDLP CCCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C12CCC2 ZINC001203660289 1370206651 /nfs/dbraw/zinc/20/66/51/1370206651.db2.gz PADXCRDKKALVQN-QZTJIDSGSA-N 2 2 346.519 3.248 20 30 EGEDLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccc(C#N)c4)C[C@H]3C2)cc1 ZINC001203758226 1370252427 /nfs/dbraw/zinc/25/24/27/1370252427.db2.gz UPFAMIDRHVMPLW-FGZHOGPDSA-N 2 2 331.463 3.431 20 30 EGEDLP C=CC[NH2+]C1(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)CCCCC1 ZINC001115802616 1370786017 /nfs/dbraw/zinc/78/60/17/1370786017.db2.gz CJOQHCLZJHOJHJ-UHFFFAOYSA-N 2 2 338.455 3.081 20 30 EGEDLP CCCCCCC[NH2+]CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001206872589 1371199304 /nfs/dbraw/zinc/19/93/04/1371199304.db2.gz KVOHNAMLXVYOLA-UHFFFAOYSA-N 2 2 348.535 3.486 20 30 EGEDLP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001208386541 1371746562 /nfs/dbraw/zinc/74/65/62/1371746562.db2.gz DNKFZSHUBAMZMH-ZWKOTPCHSA-N 2 2 332.492 3.017 20 30 EGEDLP C=CCCCCC[NH2+]C1CC2(CC(NC(=O)CCn3cc[nH+]c3)C2)C1 ZINC001121500558 1371992722 /nfs/dbraw/zinc/99/27/22/1371992722.db2.gz BAGCQZUKRIRDOD-UHFFFAOYSA-N 2 2 344.503 3.037 20 30 EGEDLP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001209567442 1372138857 /nfs/dbraw/zinc/13/88/57/1372138857.db2.gz DECHRIBJZCGJBF-SJORKVTESA-N 2 2 344.503 3.157 20 30 EGEDLP C=CCCC[N@H+]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@H]1C ZINC001132041515 1375113118 /nfs/dbraw/zinc/11/31/18/1375113118.db2.gz GBVXBUAYYATBRK-CRAIPNDOSA-N 2 2 340.471 3.192 20 30 EGEDLP C=CCCC[N@@H+]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@H]1C ZINC001132041515 1375113120 /nfs/dbraw/zinc/11/31/20/1375113120.db2.gz GBVXBUAYYATBRK-CRAIPNDOSA-N 2 2 340.471 3.192 20 30 EGEDLP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135098327 1376896970 /nfs/dbraw/zinc/89/69/70/1376896970.db2.gz WRQYHXURMKRGIB-IRXDYDNUSA-N 2 2 340.471 3.325 20 30 EGEDLP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001135680449 1377182052 /nfs/dbraw/zinc/18/20/52/1377182052.db2.gz WCRTXEWYLVAMDQ-SJORKVTESA-N 2 2 342.487 3.024 20 30 EGEDLP C=CCOc1ccccc1C[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001139028216 1377819678 /nfs/dbraw/zinc/81/96/78/1377819678.db2.gz PUVMKXHGTQWBPS-WOJBJXKFSA-N 2 2 349.478 3.210 20 30 EGEDLP N#Cc1cccc2c(C[NH+]3CCC(Oc4cc[nH+]cc4)CC3)c[nH]c21 ZINC001139704062 1377937497 /nfs/dbraw/zinc/93/74/97/1377937497.db2.gz QGYVZOJXUYEFJS-UHFFFAOYSA-N 2 2 332.407 3.478 20 30 EGEDLP C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1c[nH]c3cc[nH+]cc13)CCO2 ZINC001140803430 1378141163 /nfs/dbraw/zinc/14/11/63/1378141163.db2.gz QNNNTEPICLZABL-FXAWDEMLSA-N 2 2 341.455 3.137 20 30 EGEDLP C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1c[nH]c3cc[nH+]cc13)CCO2 ZINC001140803430 1378141165 /nfs/dbraw/zinc/14/11/65/1378141165.db2.gz QNNNTEPICLZABL-FXAWDEMLSA-N 2 2 341.455 3.137 20 30 EGEDLP Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001279696683 1378318108 /nfs/dbraw/zinc/31/81/08/1378318108.db2.gz DZXSQHAHHVQHAH-NRFANRHFSA-N 2 2 349.482 3.078 20 30 EGEDLP Cc1cc(C#N)ccc1C[N@H+]1CCC[C@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001279696683 1378318110 /nfs/dbraw/zinc/31/81/10/1378318110.db2.gz DZXSQHAHHVQHAH-NRFANRHFSA-N 2 2 349.482 3.078 20 30 EGEDLP Cc1cc(C#N)ccc1C[NH+]1CCC[C@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001279696683 1378318111 /nfs/dbraw/zinc/31/81/11/1378318111.db2.gz DZXSQHAHHVQHAH-NRFANRHFSA-N 2 2 349.482 3.078 20 30 EGEDLP Cc1cc(C#N)ccc1C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001279696683 1378318115 /nfs/dbraw/zinc/31/81/15/1378318115.db2.gz DZXSQHAHHVQHAH-NRFANRHFSA-N 2 2 349.482 3.078 20 30 EGEDLP CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001154083075 1380201381 /nfs/dbraw/zinc/20/13/81/1380201381.db2.gz FPERXFUOFRQCPF-MSOLQXFVSA-N 2 2 348.535 3.243 20 30 EGEDLP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001154083075 1380201383 /nfs/dbraw/zinc/20/13/83/1380201383.db2.gz FPERXFUOFRQCPF-MSOLQXFVSA-N 2 2 348.535 3.243 20 30 EGEDLP C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001154092413 1380205345 /nfs/dbraw/zinc/20/53/45/1380205345.db2.gz HOLUJBYHBRABAE-QZTJIDSGSA-N 2 2 346.519 3.019 20 30 EGEDLP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001154092413 1380205346 /nfs/dbraw/zinc/20/53/46/1380205346.db2.gz HOLUJBYHBRABAE-QZTJIDSGSA-N 2 2 346.519 3.019 20 30 EGEDLP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001158107380 1381130131 /nfs/dbraw/zinc/13/01/31/1381130131.db2.gz MQCJARZDIWFCBM-MOPGFXCFSA-N 2 2 346.519 3.359 20 30 EGEDLP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001158107380 1381130135 /nfs/dbraw/zinc/13/01/35/1381130135.db2.gz MQCJARZDIWFCBM-MOPGFXCFSA-N 2 2 346.519 3.359 20 30 EGEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001171410018 1384515230 /nfs/dbraw/zinc/51/52/30/1384515230.db2.gz RCWWICLILXBWGJ-MSOLQXFVSA-N 2 2 334.508 3.311 20 30 EGEDLP C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)CCc1[nH]cc[nH+]1 ZINC001177301325 1385903871 /nfs/dbraw/zinc/90/38/71/1385903871.db2.gz VVMGTRRIGPXWJW-UHFFFAOYSA-N 2 2 346.519 3.307 20 30 EGEDLP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001177348244 1385923305 /nfs/dbraw/zinc/92/33/05/1385923305.db2.gz FTFABBCSEFZMGR-UHFFFAOYSA-N 2 2 346.519 3.111 20 30 EGEDLP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)c1cccc2[nH+]ccn21 ZINC001177362367 1385929728 /nfs/dbraw/zinc/92/97/28/1385929728.db2.gz GOJFWNGWINHDLV-UHFFFAOYSA-N 2 2 340.471 3.132 20 30 EGEDLP C=CCCCCC[NH2+]CCCCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001178345328 1386193737 /nfs/dbraw/zinc/19/37/37/1386193737.db2.gz FKERLFZUVCWAME-UHFFFAOYSA-N 2 2 334.508 3.355 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001179630029 1386535593 /nfs/dbraw/zinc/53/55/93/1386535593.db2.gz FVCCNLBGQDHOKA-KZNAEPCWSA-N 2 2 346.519 3.145 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001179705609 1386560329 /nfs/dbraw/zinc/56/03/29/1386560329.db2.gz JXNNCRJYGABMBD-ROUUACIJSA-N 2 2 334.508 3.455 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001179776976 1386581591 /nfs/dbraw/zinc/58/15/91/1386581591.db2.gz LKKJHAPWIHXSBG-SJORKVTESA-N 2 2 334.508 3.209 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001179776976 1386581597 /nfs/dbraw/zinc/58/15/97/1386581597.db2.gz LKKJHAPWIHXSBG-SJORKVTESA-N 2 2 334.508 3.209 20 30 EGEDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCc1ccc(C#N)cc1 ZINC001339093146 1389896434 /nfs/dbraw/zinc/89/64/34/1389896434.db2.gz FZRYUJLUJOLLLK-UHFFFAOYSA-N 2 2 331.379 3.019 20 30 EGEDLP C=CCCC[C@@H]([NH3+])C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC001341890297 1390545266 /nfs/dbraw/zinc/54/52/66/1390545266.db2.gz XQLMQNLSNMSTGV-QGZVFWFLSA-N 2 2 336.439 3.224 20 30 EGEDLP Cc1ccc([C@H](O)C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC001335413103 1390681559 /nfs/dbraw/zinc/68/15/59/1390681559.db2.gz MNEJHVBVRCTDIG-JOCHJYFZSA-N 2 2 349.478 3.154 20 30 EGEDLP C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001485435086 1395902025 /nfs/dbraw/zinc/90/20/25/1395902025.db2.gz QJNWEDUHMSLSBJ-OAHLLOKOSA-N 2 2 348.878 3.392 20 30 EGEDLP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001715456917 1420137923 /nfs/dbraw/zinc/13/79/23/1420137923.db2.gz LSINXSNSFJFWMJ-UONOGXRCSA-N 2 2 346.862 3.146 20 30 EGEDLP C=CCC[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753102526 1440304836 /nfs/dbraw/zinc/30/48/36/1440304836.db2.gz APDASCVQDQFKDM-HOCLYGCPSA-N 2 2 326.444 3.112 20 30 EGEDLP C=CCC[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753102526 1440304837 /nfs/dbraw/zinc/30/48/37/1440304837.db2.gz APDASCVQDQFKDM-HOCLYGCPSA-N 2 2 326.444 3.112 20 30 EGEDLP C=C(C)CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001754346560 1440589875 /nfs/dbraw/zinc/58/98/75/1440589875.db2.gz QVMNTVPSKGGSFD-IAGOWNOFSA-N 2 2 340.471 3.179 20 30 EGEDLP C#CC[NH2+]CCC[C@@H](NC(=O)c1c(C)cc(C)[nH+]c1C)c1ccccc1 ZINC001755547476 1440870882 /nfs/dbraw/zinc/87/08/82/1440870882.db2.gz QPJTXPRCCQSQJA-HXUWFJFHSA-N 2 2 349.478 3.481 20 30 EGEDLP C=C(C)CC[NH2+]C1CC(N(C)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001755857505 1440935939 /nfs/dbraw/zinc/93/59/39/1440935939.db2.gz QOVADGOMJDXMRG-DAWZGUTISA-N 2 2 332.492 3.016 20 30 EGEDLP COCCC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000181899043 533204631 /nfs/dbraw/zinc/20/46/31/533204631.db2.gz QPIMPXKZELVSCU-UHFFFAOYSA-N 2 2 341.499 3.319 20 30 EGEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3ccc(C#N)c(Cl)c3)CC2)CC1 ZINC000269322543 255564450 /nfs/dbraw/zinc/56/44/50/255564450.db2.gz JQWSHELSXOHTBX-UHFFFAOYSA-N 2 2 346.906 3.206 20 30 EGEDLP C[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190040616 153112278 /nfs/dbraw/zinc/11/22/78/153112278.db2.gz ZTNLESOEKWIOMB-PGRDOPGGSA-N 2 2 349.478 3.188 20 30 EGEDLP C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190040616 153112280 /nfs/dbraw/zinc/11/22/80/153112280.db2.gz ZTNLESOEKWIOMB-PGRDOPGGSA-N 2 2 349.478 3.188 20 30 EGEDLP C[C@@H](c1cccc(C#N)c1)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190040616 153112284 /nfs/dbraw/zinc/11/22/84/153112284.db2.gz ZTNLESOEKWIOMB-PGRDOPGGSA-N 2 2 349.478 3.188 20 30 EGEDLP C[C@@H](c1cccc(C#N)c1)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190040616 153112287 /nfs/dbraw/zinc/11/22/87/153112287.db2.gz ZTNLESOEKWIOMB-PGRDOPGGSA-N 2 2 349.478 3.188 20 30 EGEDLP C[NH+](C)[C@]1(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CCSC1 ZINC000360655563 167380612 /nfs/dbraw/zinc/38/06/12/167380612.db2.gz DKNLOMHIVXTYRW-MOPGFXCFSA-N 2 2 329.513 3.353 20 30 EGEDLP N#Cc1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+](C4CCCC4)C3)CC2)cc1 ZINC000367602000 168247656 /nfs/dbraw/zinc/24/76/56/168247656.db2.gz QXTBYAABEUDTSC-LJQANCHMSA-N 2 2 338.499 3.134 20 30 EGEDLP N#Cc1ccc(N2CCC([NH2+][C@@H]3CC[N@H+](C4CCCC4)C3)CC2)cc1 ZINC000367602000 168247658 /nfs/dbraw/zinc/24/76/58/168247658.db2.gz QXTBYAABEUDTSC-LJQANCHMSA-N 2 2 338.499 3.134 20 30 EGEDLP CCC[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)OCC ZINC000527748779 267034548 /nfs/dbraw/zinc/03/45/48/267034548.db2.gz ZEOHNSSIXASUEQ-HXUWFJFHSA-N 2 2 329.488 3.317 20 30 EGEDLP C[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[NH+]1CCC(C)CC1 ZINC000285989189 267162079 /nfs/dbraw/zinc/16/20/79/267162079.db2.gz IAUDUPNFYBXVTG-GOSISDBHSA-N 2 2 340.515 3.237 20 30 EGEDLP C[N@@H+](Cc1cc(C#N)cs1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449784784 267310788 /nfs/dbraw/zinc/31/07/88/267310788.db2.gz CNXVQWMIFWJJJH-UHFFFAOYSA-N 2 2 331.407 3.468 20 30 EGEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000564649705 316181692 /nfs/dbraw/zinc/18/16/92/316181692.db2.gz OTVMTVWKOUUEEX-FQEVSTJZSA-N 2 2 347.466 3.242 20 30 EGEDLP CCOc1ccccc1C[N@H+](CCCC#N)CCCn1cc[nH+]c1 ZINC000071114299 454200528 /nfs/dbraw/zinc/20/05/28/454200528.db2.gz UYXATFVMFXVWGD-UHFFFAOYSA-N 2 2 326.444 3.478 20 30 EGEDLP CCOc1ccccc1C[N@@H+](CCCC#N)CCCn1cc[nH+]c1 ZINC000071114299 454200532 /nfs/dbraw/zinc/20/05/32/454200532.db2.gz UYXATFVMFXVWGD-UHFFFAOYSA-N 2 2 326.444 3.478 20 30 EGEDLP C#CC[NH+]1CCC(C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)CC1 ZINC000050487192 454587185 /nfs/dbraw/zinc/58/71/85/454587185.db2.gz PNOHJKCQUTUADL-UHFFFAOYSA-N 2 2 335.407 3.158 20 30 EGEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1C ZINC000080960900 454659738 /nfs/dbraw/zinc/65/97/38/454659738.db2.gz CRIRLLVOTTYRQC-MRXNPFEDSA-N 2 2 326.444 3.076 20 30 EGEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1C ZINC000080960900 454659739 /nfs/dbraw/zinc/65/97/39/454659739.db2.gz CRIRLLVOTTYRQC-MRXNPFEDSA-N 2 2 326.444 3.076 20 30 EGEDLP C#CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000162231974 454761145 /nfs/dbraw/zinc/76/11/45/454761145.db2.gz XROYPMBLYNOHNP-GOSISDBHSA-N 2 2 349.478 3.409 20 30 EGEDLP C#CCOc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000113327978 454923427 /nfs/dbraw/zinc/92/34/27/454923427.db2.gz FBBXVGBXJFHPJJ-UHFFFAOYSA-N 2 2 335.382 3.313 20 30 EGEDLP C=C(C)COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1OC ZINC000151103512 454938003 /nfs/dbraw/zinc/93/80/03/454938003.db2.gz ZLQAHWSFAQGPNO-DOTOQJQBSA-N 2 2 330.472 3.365 20 30 EGEDLP C=C(C)COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)ccc1OC ZINC000151103512 454938007 /nfs/dbraw/zinc/93/80/07/454938007.db2.gz ZLQAHWSFAQGPNO-DOTOQJQBSA-N 2 2 330.472 3.365 20 30 EGEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC#Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000249386520 455752690 /nfs/dbraw/zinc/75/26/90/455752690.db2.gz RDPSJDDFIABPRC-PXNSSMCTSA-N 2 2 348.918 3.418 20 30 EGEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC#Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000249386520 455752696 /nfs/dbraw/zinc/75/26/96/455752696.db2.gz RDPSJDDFIABPRC-PXNSSMCTSA-N 2 2 348.918 3.418 20 30 EGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCc3nccs3)CC2)cc1 ZINC000271851371 455786568 /nfs/dbraw/zinc/78/65/68/455786568.db2.gz IRNCRIKQSOLALN-UHFFFAOYSA-N 2 2 340.496 3.202 20 30 EGEDLP C=CCc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc(OC)c1O ZINC000293565783 455791270 /nfs/dbraw/zinc/79/12/70/455791270.db2.gz GNLMKDRHQXFAHP-FQEVSTJZSA-N 2 2 330.472 3.047 20 30 EGEDLP C=CCc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc(OC)c1O ZINC000293565783 455791275 /nfs/dbraw/zinc/79/12/75/455791275.db2.gz GNLMKDRHQXFAHP-FQEVSTJZSA-N 2 2 330.472 3.047 20 30 EGEDLP C=CCc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc(OC)c1O ZINC000293565783 455791280 /nfs/dbraw/zinc/79/12/80/455791280.db2.gz GNLMKDRHQXFAHP-FQEVSTJZSA-N 2 2 330.472 3.047 20 30 EGEDLP C=CCc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc(OC)c1O ZINC000293565783 455791283 /nfs/dbraw/zinc/79/12/83/455791283.db2.gz GNLMKDRHQXFAHP-FQEVSTJZSA-N 2 2 330.472 3.047 20 30 EGEDLP CO[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271907113 455799580 /nfs/dbraw/zinc/79/95/80/455799580.db2.gz WYAHMZKSDQDYTC-UXHICEINSA-N 2 2 327.472 3.070 20 30 EGEDLP Cn1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000272215839 455879009 /nfs/dbraw/zinc/87/90/09/455879009.db2.gz BFSKHPTZYUWBTP-QGZVFWFLSA-N 2 2 346.438 3.061 20 30 EGEDLP Cn1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000272215839 455879012 /nfs/dbraw/zinc/87/90/12/455879012.db2.gz BFSKHPTZYUWBTP-QGZVFWFLSA-N 2 2 346.438 3.061 20 30 EGEDLP C=CCCCCCO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000195391743 455955412 /nfs/dbraw/zinc/95/54/12/455955412.db2.gz AKNONFGOONZIHM-UHFFFAOYSA-N 2 2 345.487 3.027 20 30 EGEDLP C=C(C)COc1cc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)ccc1OC ZINC000272681513 456037368 /nfs/dbraw/zinc/03/73/68/456037368.db2.gz VNCNEDLXDJVLKK-ZWKOTPCHSA-N 2 2 330.472 3.176 20 30 EGEDLP C=C(C)COc1cc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)ccc1OC ZINC000272681513 456037375 /nfs/dbraw/zinc/03/73/75/456037375.db2.gz VNCNEDLXDJVLKK-ZWKOTPCHSA-N 2 2 330.472 3.176 20 30 EGEDLP C=C(C)COc1cc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)ccc1OC ZINC000272681513 456037378 /nfs/dbraw/zinc/03/73/78/456037378.db2.gz VNCNEDLXDJVLKK-ZWKOTPCHSA-N 2 2 330.472 3.176 20 30 EGEDLP C=C(C)COc1cc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)ccc1OC ZINC000272681513 456037383 /nfs/dbraw/zinc/03/73/83/456037383.db2.gz VNCNEDLXDJVLKK-ZWKOTPCHSA-N 2 2 330.472 3.176 20 30 EGEDLP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000280937869 456087885 /nfs/dbraw/zinc/08/78/85/456087885.db2.gz VVRIJOWPDPXZAY-TZIWHRDSSA-N 2 2 339.483 3.093 20 30 EGEDLP N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000276890407 456610685 /nfs/dbraw/zinc/61/06/85/456610685.db2.gz JXTGTLPWLSSXLZ-ZDUSSCGKSA-N 2 2 345.244 3.423 20 30 EGEDLP N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000276890407 456610690 /nfs/dbraw/zinc/61/06/90/456610690.db2.gz JXTGTLPWLSSXLZ-ZDUSSCGKSA-N 2 2 345.244 3.423 20 30 EGEDLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(C#N)cc3OC(F)F)C2)C1 ZINC000339433714 457116789 /nfs/dbraw/zinc/11/67/89/457116789.db2.gz XZDSOEQUEUVNJZ-GOSISDBHSA-N 2 2 335.398 3.077 20 30 EGEDLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(C#N)cc3OC(F)F)C2)C1 ZINC000339433714 457116791 /nfs/dbraw/zinc/11/67/91/457116791.db2.gz XZDSOEQUEUVNJZ-GOSISDBHSA-N 2 2 335.398 3.077 20 30 EGEDLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(C#N)cc3OC(F)F)C2)C1 ZINC000339433714 457116794 /nfs/dbraw/zinc/11/67/94/457116794.db2.gz XZDSOEQUEUVNJZ-GOSISDBHSA-N 2 2 335.398 3.077 20 30 EGEDLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(C#N)cc3OC(F)F)C2)C1 ZINC000339433714 457116797 /nfs/dbraw/zinc/11/67/97/457116797.db2.gz XZDSOEQUEUVNJZ-GOSISDBHSA-N 2 2 335.398 3.077 20 30 EGEDLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C[C@H](C)O1 ZINC000360838328 457376922 /nfs/dbraw/zinc/37/69/22/457376922.db2.gz BYXWYFHGPQARPC-LLGFUMIMSA-N 2 2 341.499 3.415 20 30 EGEDLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C[C@H](C)O1 ZINC000360838328 457376928 /nfs/dbraw/zinc/37/69/28/457376928.db2.gz BYXWYFHGPQARPC-LLGFUMIMSA-N 2 2 341.499 3.415 20 30 EGEDLP CC(C)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccnc1 ZINC000414344230 458318203 /nfs/dbraw/zinc/31/82/03/458318203.db2.gz ZFQOPBSLLJAUAC-UHFFFAOYSA-N 2 2 348.494 3.485 20 30 EGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498820483 459606959 /nfs/dbraw/zinc/60/69/59/459606959.db2.gz YMRJMJMVEIHJDK-PMACEKPBSA-N 2 2 349.563 3.243 20 30 EGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498820483 459606967 /nfs/dbraw/zinc/60/69/67/459606967.db2.gz YMRJMJMVEIHJDK-PMACEKPBSA-N 2 2 349.563 3.243 20 30 EGEDLP COC1(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CCCC1 ZINC000593693445 459954708 /nfs/dbraw/zinc/95/47/08/459954708.db2.gz ZTBAXZQGEKJGAU-UHFFFAOYSA-N 2 2 327.472 3.071 20 30 EGEDLP CC(C)(C)OC1CC([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593702653 459957584 /nfs/dbraw/zinc/95/75/84/459957584.db2.gz MKWBUGQJEZNTHH-UHFFFAOYSA-N 2 2 341.499 3.458 20 30 EGEDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602485798 459963710 /nfs/dbraw/zinc/96/37/10/459963710.db2.gz STKDSZBSXGZFLC-GOSISDBHSA-N 2 2 331.423 3.276 20 30 EGEDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602485798 459963716 /nfs/dbraw/zinc/96/37/16/459963716.db2.gz STKDSZBSXGZFLC-GOSISDBHSA-N 2 2 331.423 3.276 20 30 EGEDLP CC(C)(C#N)C[C@H](O)C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000598622059 459967286 /nfs/dbraw/zinc/96/72/86/459967286.db2.gz KTPCXVHDKONNMH-INIZCTEOSA-N 2 2 340.471 3.118 20 30 EGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000602534113 459987478 /nfs/dbraw/zinc/98/74/78/459987478.db2.gz OFLWXFOPZYUBSN-QZTJIDSGSA-N 2 2 341.499 3.122 20 30 EGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000602534113 459987485 /nfs/dbraw/zinc/98/74/85/459987485.db2.gz OFLWXFOPZYUBSN-QZTJIDSGSA-N 2 2 341.499 3.122 20 30 EGEDLP CC1CC[NH+]([C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)c2cccs2)CC1 ZINC000598705109 460001504 /nfs/dbraw/zinc/00/15/04/460001504.db2.gz YUHOBYTXYZAUKG-IAGOWNOFSA-N 2 2 349.544 3.411 20 30 EGEDLP CC[C@H](C)[C@@H](C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)OC ZINC000602706429 460076719 /nfs/dbraw/zinc/07/67/19/460076719.db2.gz PGSIQCAECXDSGQ-OXJNMPFZSA-N 2 2 329.488 3.173 20 30 EGEDLP C=CCOc1c(Cl)cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1OC ZINC000623356202 460507451 /nfs/dbraw/zinc/50/74/51/460507451.db2.gz CKRSQQDAHWLEED-ZDUSSCGKSA-N 2 2 335.835 3.288 20 30 EGEDLP N#CCC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000601964627 460963648 /nfs/dbraw/zinc/96/36/48/460963648.db2.gz JMZZYTMMHCEQML-YADHBBJMSA-N 2 2 349.478 3.258 20 30 EGEDLP C=CCCn1cc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)nn1 ZINC000653569742 461727851 /nfs/dbraw/zinc/72/78/51/461727851.db2.gz IUKURIVOKXQLHN-GOSISDBHSA-N 2 2 345.535 3.331 20 30 EGEDLP C=CCCn1cc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)nn1 ZINC000653569742 461727862 /nfs/dbraw/zinc/72/78/62/461727862.db2.gz IUKURIVOKXQLHN-GOSISDBHSA-N 2 2 345.535 3.331 20 30 EGEDLP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CC(C#N)(c3ccccc3)C2)cn1 ZINC000126098644 1293524611 /nfs/dbraw/zinc/52/46/11/1293524611.db2.gz HEHFDGHPWQSAMP-UHFFFAOYSA-N 2 2 343.434 3.289 20 30 EGEDLP N#Cc1ccc(N2CC[NH+]([C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)CC2)cc1 ZINC000873265025 1297399054 /nfs/dbraw/zinc/39/90/54/1297399054.db2.gz JXYBOSMKGOGEPC-FGZHOGPDSA-N 2 2 346.478 3.174 20 30 EGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000815652780 1319036855 /nfs/dbraw/zinc/03/68/55/1319036855.db2.gz SPBOEKIMNFKOBR-HNNXBMFYSA-N 2 2 328.378 3.407 20 30 EGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000815652780 1319036863 /nfs/dbraw/zinc/03/68/63/1319036863.db2.gz SPBOEKIMNFKOBR-HNNXBMFYSA-N 2 2 328.378 3.407 20 30 EGEDLP C=C(C)C[NH2+]C1CC2(CC(NC(=O)c3c(C)cc(C)[nH+]c3C)C2)C1 ZINC000964454681 1325531852 /nfs/dbraw/zinc/53/18/52/1325531852.db2.gz KTGDDFPVVARSIS-UHFFFAOYSA-N 2 2 327.472 3.214 20 30 EGEDLP C=C[C@H](CC)CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000935081235 1330027389 /nfs/dbraw/zinc/02/73/89/1330027389.db2.gz YOLUBXDEAVPXHK-MISYRCLQSA-N 2 2 349.563 3.384 20 30 EGEDLP C=C[C@H](CC)CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000935081235 1330027390 /nfs/dbraw/zinc/02/73/90/1330027390.db2.gz YOLUBXDEAVPXHK-MISYRCLQSA-N 2 2 349.563 3.384 20 30 EGEDLP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936488 1336095792 /nfs/dbraw/zinc/09/57/92/1336095792.db2.gz JFYNMEDJZZWPBK-MRXNPFEDSA-N 2 2 346.862 3.061 20 30 EGEDLP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936488 1336095796 /nfs/dbraw/zinc/09/57/96/1336095796.db2.gz JFYNMEDJZZWPBK-MRXNPFEDSA-N 2 2 346.862 3.061 20 30 EGEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1C ZINC001071712509 1354871399 /nfs/dbraw/zinc/87/13/99/1354871399.db2.gz PGOIKRMYSCARBP-SJLPKXTDSA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1C ZINC001071712509 1354871404 /nfs/dbraw/zinc/87/14/04/1354871404.db2.gz PGOIKRMYSCARBP-SJLPKXTDSA-N 2 2 338.455 3.031 20 30 EGEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1CC ZINC001037894263 1344166163 /nfs/dbraw/zinc/16/61/63/1344166163.db2.gz SYBJHNPHBCJLMF-ROUUACIJSA-N 2 2 329.488 3.413 20 30 EGEDLP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001045969527 1346805154 /nfs/dbraw/zinc/80/51/54/1346805154.db2.gz RWUIOURQTZWCGP-UYAOXDASSA-N 2 2 344.503 3.115 20 30 EGEDLP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001045969527 1346805156 /nfs/dbraw/zinc/80/51/56/1346805156.db2.gz RWUIOURQTZWCGP-UYAOXDASSA-N 2 2 344.503 3.115 20 30 EGEDLP C=CCC[N@H+]1C[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC[C@@H]1C ZINC001071954396 1355040492 /nfs/dbraw/zinc/04/04/92/1355040492.db2.gz OHSZWHIEVBPLRF-FUHWJXTLSA-N 2 2 338.455 3.031 20 30 EGEDLP C=CCC[N@@H+]1C[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC[C@@H]1C ZINC001071954396 1355040494 /nfs/dbraw/zinc/04/04/94/1355040494.db2.gz OHSZWHIEVBPLRF-FUHWJXTLSA-N 2 2 338.455 3.031 20 30 EGEDLP CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001184905544 1387559667 /nfs/dbraw/zinc/55/96/67/1387559667.db2.gz WBDDBBMWXQHLFW-OALUTQOASA-N 2 2 348.535 3.318 20 30 EGEDLP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001099252487 1363715432 /nfs/dbraw/zinc/71/54/32/1363715432.db2.gz WOZDENBTXRKROW-IAGOWNOFSA-N 2 2 332.492 3.017 20 30 EGEDLP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001099252487 1363715435 /nfs/dbraw/zinc/71/54/35/1363715435.db2.gz WOZDENBTXRKROW-IAGOWNOFSA-N 2 2 332.492 3.017 20 30 EGEDLP C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001190175990 1367191586 /nfs/dbraw/zinc/19/15/86/1367191586.db2.gz LQDACOBFLQMQKQ-QAPCUYQASA-N 2 2 340.471 3.144 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001190175990 1367191589 /nfs/dbraw/zinc/19/15/89/1367191589.db2.gz LQDACOBFLQMQKQ-QAPCUYQASA-N 2 2 340.471 3.144 20 30 EGEDLP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190934067 1367385394 /nfs/dbraw/zinc/38/53/94/1367385394.db2.gz MVULTGSDOGLLSB-GDBMZVCRSA-N 2 2 326.444 3.064 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190934067 1367385401 /nfs/dbraw/zinc/38/54/01/1367385401.db2.gz MVULTGSDOGLLSB-GDBMZVCRSA-N 2 2 326.444 3.064 20 30 EGEDLP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196242119 1368574744 /nfs/dbraw/zinc/57/47/44/1368574744.db2.gz BPGSBLNRXRWGII-RTBURBONSA-N 2 2 346.519 3.359 20 30 EGEDLP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196242119 1368574747 /nfs/dbraw/zinc/57/47/47/1368574747.db2.gz BPGSBLNRXRWGII-RTBURBONSA-N 2 2 346.519 3.359 20 30 EGEDLP C=CCCC[NH2+]C1(CNC(=O)Cc2c[nH+]ccc2OC)CCCCC1 ZINC001115591968 1370593219 /nfs/dbraw/zinc/59/32/19/1370593219.db2.gz MROHKEMYUXTSFV-UHFFFAOYSA-N 2 2 345.487 3.008 20 30 EGEDLP C=CCCC[NH2+]C1(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CCCCC1 ZINC001115752407 1370733773 /nfs/dbraw/zinc/73/37/73/1370733773.db2.gz AXEUBZGDDRXMMQ-QGZVFWFLSA-N 2 2 332.492 3.209 20 30 EGEDLP C=C(C)CC[NH2+]C1(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CCCCC1 ZINC001115752587 1370734513 /nfs/dbraw/zinc/73/45/13/1370734513.db2.gz KNYQEKUPZXVAQX-QGZVFWFLSA-N 2 2 332.492 3.209 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001205522182 1370779701 /nfs/dbraw/zinc/77/97/01/1370779701.db2.gz QRBGSKYWNHQQOJ-OAHLLOKOSA-N 2 2 340.471 3.359 20 30 EGEDLP C=CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001120366310 1371550422 /nfs/dbraw/zinc/55/04/22/1371550422.db2.gz YTZYZUXSTCAKCH-ZWKOTPCHSA-N 2 2 344.503 3.012 20 30 EGEDLP C=CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001120366310 1371550425 /nfs/dbraw/zinc/55/04/25/1371550425.db2.gz YTZYZUXSTCAKCH-ZWKOTPCHSA-N 2 2 344.503 3.012 20 30 EGEDLP CCCCCCCc1ccc(-c2noc([C@H]3C[NH2+]C[C@@H]3[NH3+])n2)cc1 ZINC001211755479 1372612385 /nfs/dbraw/zinc/61/23/85/1372612385.db2.gz OWCKCERGXIVTOD-IRXDYDNUSA-N 2 2 328.460 3.264 20 30 EGEDLP C=CCCCCC[N@H+]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132025713 1375105780 /nfs/dbraw/zinc/10/57/80/1375105780.db2.gz UFZOFVGPZLYJST-DLBZAZTESA-N 2 2 332.492 3.058 20 30 EGEDLP C=CCCCCC[N@@H+]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132025713 1375105784 /nfs/dbraw/zinc/10/57/84/1375105784.db2.gz UFZOFVGPZLYJST-DLBZAZTESA-N 2 2 332.492 3.058 20 30 EGEDLP CCCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)CC[C@@H]1C ZINC001132196231 1375202353 /nfs/dbraw/zinc/20/23/53/1375202353.db2.gz ZYNHDBXZFYXCTJ-ROUUACIJSA-N 2 2 348.535 3.292 20 30 EGEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)CC[C@@H]1C ZINC001132196231 1375202355 /nfs/dbraw/zinc/20/23/55/1375202355.db2.gz ZYNHDBXZFYXCTJ-ROUUACIJSA-N 2 2 348.535 3.292 20 30 EGEDLP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001226973743 1375375716 /nfs/dbraw/zinc/37/57/16/1375375716.db2.gz YCVDPWIFKHMCNU-QRVBRYPASA-N 2 2 346.519 3.454 20 30 EGEDLP CCCCCCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001132875180 1375617119 /nfs/dbraw/zinc/61/71/19/1375617119.db2.gz UNZINSDCDUDXRN-ROUUACIJSA-N 2 2 348.535 3.387 20 30 EGEDLP CCCCCCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001132875180 1375617121 /nfs/dbraw/zinc/61/71/21/1375617121.db2.gz UNZINSDCDUDXRN-ROUUACIJSA-N 2 2 348.535 3.387 20 30 EGEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001132919185 1375643026 /nfs/dbraw/zinc/64/30/26/1375643026.db2.gz FIBAQMJASZNAPM-SWLSCSKDSA-N 2 2 346.862 3.003 20 30 EGEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001133021087 1375717588 /nfs/dbraw/zinc/71/75/88/1375717588.db2.gz IPMQDIGHODRMCK-RBUKOAKNSA-N 2 2 346.519 3.094 20 30 EGEDLP C=CCOc1ccccc1C[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001139028012 1377819993 /nfs/dbraw/zinc/81/99/93/1377819993.db2.gz IXFDTSXZFOISDG-NHCUHLMSSA-N 2 2 349.478 3.210 20 30 EGEDLP Cc1cc(N2CC[NH+](Cc3ccc(C#N)cn3)CC2)c2ccccc2[nH+]1 ZINC001144153529 1378688799 /nfs/dbraw/zinc/68/87/99/1378688799.db2.gz CCZCGYRMHVWXGH-UHFFFAOYSA-N 2 2 343.434 3.132 20 30 EGEDLP C=CCC[N@H+]1CC=C(CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001160423361 1382100066 /nfs/dbraw/zinc/10/00/66/1382100066.db2.gz QEENCMNVFOUHBG-LJQANCHMSA-N 2 2 344.503 3.185 20 30 EGEDLP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001160423361 1382100070 /nfs/dbraw/zinc/10/00/70/1382100070.db2.gz QEENCMNVFOUHBG-LJQANCHMSA-N 2 2 344.503 3.185 20 30 EGEDLP C=CCCC[N@H+]1CC=C(CCNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001160666196 1382165853 /nfs/dbraw/zinc/16/58/53/1382165853.db2.gz RVTNNXCKQHQWRJ-UHFFFAOYSA-N 2 2 338.455 3.053 20 30 EGEDLP C=CCCC[N@@H+]1CC=C(CCNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001160666196 1382165859 /nfs/dbraw/zinc/16/58/59/1382165859.db2.gz RVTNNXCKQHQWRJ-UHFFFAOYSA-N 2 2 338.455 3.053 20 30 EGEDLP C=CCCC[NH2+]CC1(CCNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001166301037 1383410313 /nfs/dbraw/zinc/41/03/13/1383410313.db2.gz IHRYKCVAHUWEBU-UHFFFAOYSA-N 2 2 329.488 3.463 20 30 EGEDLP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001167348326 1383606453 /nfs/dbraw/zinc/60/64/53/1383606453.db2.gz GVRCTSVYFNWZPJ-DLBZAZTESA-N 2 2 332.492 3.065 20 30 EGEDLP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001171196362 1384466504 /nfs/dbraw/zinc/46/65/04/1384466504.db2.gz ZRHQOQYPZXIOCN-KRWDZBQOSA-N 2 2 349.478 3.449 20 30 EGEDLP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001171605406 1384576898 /nfs/dbraw/zinc/57/68/98/1384576898.db2.gz NHUUZORTJVXQJS-DOTOQJQBSA-N 2 2 346.519 3.054 20 30 EGEDLP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001171605406 1384576902 /nfs/dbraw/zinc/57/69/02/1384576902.db2.gz NHUUZORTJVXQJS-DOTOQJQBSA-N 2 2 346.519 3.054 20 30 EGEDLP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001171784625 1384635514 /nfs/dbraw/zinc/63/55/14/1384635514.db2.gz REIYAPGENHRIHA-INIZCTEOSA-N 2 2 328.460 3.179 20 30 EGEDLP C[C@H](CCCC#N)[NH2+]CCSCc1csc(C[NH+](C)C)n1 ZINC001172482448 1384803099 /nfs/dbraw/zinc/80/30/99/1384803099.db2.gz GXXAZTYNZRJYIE-CYBMUJFWSA-N 2 2 326.535 3.110 20 30 EGEDLP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H]1C ZINC001179516722 1386504174 /nfs/dbraw/zinc/50/41/74/1386504174.db2.gz HTSUAKLRQLDSNY-ULQDDVLXSA-N 2 2 346.519 3.379 20 30 EGEDLP C=CCCCCC[NH2+][C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)[C@H]1C ZINC001179622290 1386534114 /nfs/dbraw/zinc/53/41/14/1386534114.db2.gz INWBDZZSGCWOCV-SQNIBIBYSA-N 2 2 332.492 3.160 20 30 EGEDLP CCCCCCC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC001180279327 1386753405 /nfs/dbraw/zinc/75/34/05/1386753405.db2.gz CHGXWPOJNRRFBL-ROUUACIJSA-N 2 2 334.508 3.213 20 30 EGEDLP COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001340941080 1390409488 /nfs/dbraw/zinc/40/94/88/1390409488.db2.gz YORQMPKVOXAOKW-SFHVURJKSA-N 2 2 336.439 3.347 20 30 EGEDLP COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001340941080 1390409490 /nfs/dbraw/zinc/40/94/90/1390409490.db2.gz YORQMPKVOXAOKW-SFHVURJKSA-N 2 2 336.439 3.347 20 30 EGEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001732070200 1428318201 /nfs/dbraw/zinc/31/82/01/1428318201.db2.gz CNTKEBQJZBBTGO-MRXNPFEDSA-N 2 2 343.943 3.030 20 30 EGEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001732070200 1428318204 /nfs/dbraw/zinc/31/82/04/1428318204.db2.gz CNTKEBQJZBBTGO-MRXNPFEDSA-N 2 2 343.943 3.030 20 30 EGEDLP C=C(Cl)C[NH+]1CC[C@@H](N(CCC)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001732070200 1428318207 /nfs/dbraw/zinc/31/82/07/1428318207.db2.gz CNTKEBQJZBBTGO-MRXNPFEDSA-N 2 2 343.943 3.030 20 30 EGEDLP C=C(Cl)C[NH+]1CC[C@@H](N(CCC)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001732070200 1428318208 /nfs/dbraw/zinc/31/82/08/1428318208.db2.gz CNTKEBQJZBBTGO-MRXNPFEDSA-N 2 2 343.943 3.030 20 30 EGEDLP C=CCC[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001752782901 1440209601 /nfs/dbraw/zinc/20/96/01/1440209601.db2.gz SZWBHZVDRFSZFV-IRXDYDNUSA-N 2 2 340.471 3.131 20 30 EGEDLP C=CCC[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001752782901 1440209602 /nfs/dbraw/zinc/20/96/02/1440209602.db2.gz SZWBHZVDRFSZFV-IRXDYDNUSA-N 2 2 340.471 3.131 20 30 EGEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001752802395 1440215263 /nfs/dbraw/zinc/21/52/63/1440215263.db2.gz GAUVSSSTAUXWMG-SJORKVTESA-N 2 2 340.471 3.131 20 30 EGEDLP C=CCC[NH2+]C1(CC)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001755069915 1440746155 /nfs/dbraw/zinc/74/61/55/1440746155.db2.gz LXCVZGPHXOTJHD-UHFFFAOYSA-N 2 2 326.444 3.113 20 30 EGEDLP C=CC[N@H+]1Cc2ccc(CNC(=O)[C@H](c3ccccc3)[NH+](C)C)cc2C1 ZINC001755101683 1440752764 /nfs/dbraw/zinc/75/27/64/1440752764.db2.gz YLPNJISLEIBIFZ-NRFANRHFSA-N 2 2 349.478 3.107 20 30 EGEDLP C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@H](c3ccccc3)[NH+](C)C)cc2C1 ZINC001755101683 1440752765 /nfs/dbraw/zinc/75/27/65/1440752765.db2.gz YLPNJISLEIBIFZ-NRFANRHFSA-N 2 2 349.478 3.107 20 30 EGEDLP C=C(C)C[NH2+][C@H](CCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001755340017 1440824821 /nfs/dbraw/zinc/82/48/21/1440824821.db2.gz QWCFCKIJHLGXTQ-GOSISDBHSA-N 2 2 342.487 3.295 20 30 EGEDLP CCCCCCC[N@H+](C)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001755536557 1440869707 /nfs/dbraw/zinc/86/97/07/1440869707.db2.gz YLVAMIRTNQRIPI-UHFFFAOYSA-N 2 2 334.508 3.154 20 30 EGEDLP CCCCCCC[N@@H+](C)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001755536557 1440869708 /nfs/dbraw/zinc/86/97/08/1440869708.db2.gz YLVAMIRTNQRIPI-UHFFFAOYSA-N 2 2 334.508 3.154 20 30 EGEDLP C=C(C)CC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001755737762 1440911209 /nfs/dbraw/zinc/91/12/09/1440911209.db2.gz MUELHWDQSUNULR-ZBFHGGJFSA-N 2 2 326.444 3.017 20 30 EGEDLP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001755843842 1440932485 /nfs/dbraw/zinc/93/24/85/1440932485.db2.gz XJCNGZDBUGEZLT-QGZVFWFLSA-N 2 2 346.519 3.110 20 30 EGEDLP