smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+]1Cc2c(NC(=O)C[NH+]3CCCC3)cccc2[C@@H](c2ccccc2)C1 ZINC000028219397 202166493 /nfs/dbraw/zinc/16/64/93/202166493.db2.gz YDJJPPIMCFBACU-LJQANCHMSA-N 2 1 349.478 3.298 1 0 EGAFMP C[N@@H+]1Cc2c(NC(=O)C[NH+]3CCCC3)cccc2[C@@H](c2ccccc2)C1 ZINC000028219397 202166496 /nfs/dbraw/zinc/16/64/96/202166496.db2.gz YDJJPPIMCFBACU-LJQANCHMSA-N 2 1 349.478 3.298 1 0 EGAFMP c1ccc2[nH+]c(NCCC[NH2+]C[C@H]3CCc4ccccc4O3)[nH]c2c1 ZINC000026637464 202146819 /nfs/dbraw/zinc/14/68/19/202146819.db2.gz ASUZYDCLLKBKRT-MRXNPFEDSA-N 2 1 336.439 3.348 1 0 EGAFMP O=C1NC(CCC[N@H+]2CC=C(c3ccccc3)CC2)=[NH+][C@@H]2CCC[C@H]12 ZINC000028524103 202171134 /nfs/dbraw/zinc/17/11/34/202171134.db2.gz WIQUOWNSAPQDKI-RBUKOAKNSA-N 2 1 337.467 3.253 1 0 EGAFMP O=C1NC(CCC[N@@H+]2CC=C(c3ccccc3)CC2)=[NH+][C@@H]2CCC[C@H]12 ZINC000028524103 202171135 /nfs/dbraw/zinc/17/11/35/202171135.db2.gz WIQUOWNSAPQDKI-RBUKOAKNSA-N 2 1 337.467 3.253 1 0 EGAFMP c1ccc2c(c1)cccc2CCC[N@@H+]1CCCNCCC[NH2+]CCC1 ZINC000073258542 203261887 /nfs/dbraw/zinc/26/18/87/203261887.db2.gz USUAVSGVEIHSPI-UHFFFAOYSA-N 2 1 339.527 3.438 1 0 EGAFMP c1ccc2c(c1)cccc2CCC[N@H+]1CCCNCCC[NH2+]CCC1 ZINC000073258542 203261888 /nfs/dbraw/zinc/26/18/88/203261888.db2.gz USUAVSGVEIHSPI-UHFFFAOYSA-N 2 1 339.527 3.438 1 0 EGAFMP C[C@@H]1CN(c2ccc(Nc3c(CO)c[nH+]c4ccccc43)cc2)CC[NH2+]1 ZINC000053173570 132186416 /nfs/dbraw/zinc/18/64/16/132186416.db2.gz MDMIXTNJRVJFQM-OAHLLOKOSA-N 2 1 348.450 3.269 1 0 EGAFMP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(CSc2ccccc2)cc1 ZINC000005138510 581092190 /nfs/dbraw/zinc/09/21/90/581092190.db2.gz OBTLMBWEMHGRBX-UHFFFAOYSA-N 2 1 339.468 3.164 1 0 EGAFMP CC(C)(c1ccccn1)[N@H+](CCCC[NH3+])Cc1nc2ccccc2[nH]1 ZINC000066076847 215006208 /nfs/dbraw/zinc/00/62/08/215006208.db2.gz ZFQCEZRNXZLHIX-UHFFFAOYSA-N 2 1 337.471 3.434 1 0 EGAFMP CC(C)(c1ccccn1)[N@@H+](CCCC[NH3+])Cc1nc2ccccc2[nH]1 ZINC000066076847 215006209 /nfs/dbraw/zinc/00/62/09/215006209.db2.gz ZFQCEZRNXZLHIX-UHFFFAOYSA-N 2 1 337.471 3.434 1 0 EGAFMP CC(C)[NH2+]CC(=O)Nc1cccc2c1C[N@@H+](C)C[C@@H]2c1ccccc1 ZINC000040505060 213326172 /nfs/dbraw/zinc/32/61/72/213326172.db2.gz SIBDDQUAJLKKAZ-GOSISDBHSA-N 2 1 337.467 3.200 1 0 EGAFMP [NH3+]CCCC[N@@H+](Cc1cn2ccccc2n1)[C@H]1CCCc2cccnc21 ZINC000035813688 213050956 /nfs/dbraw/zinc/05/09/56/213050956.db2.gz IKLZGHCMOLBHGR-IBGZPJMESA-N 2 1 349.482 3.348 1 0 EGAFMP C[NH+](C)CCN1CCCc2cc(NC(=[NH2+])c3cccs3)ccc21 ZINC000073196017 216362335 /nfs/dbraw/zinc/36/23/35/216362335.db2.gz XIDAMGZTWAFOAK-UHFFFAOYSA-N 2 1 328.485 3.500 1 0 EGAFMP [NH3+]CCCC[N@@H+](Cc1cn2ccccc2n1)[C@@H]1CCCc2cccnc21 ZINC000035813687 202310279 /nfs/dbraw/zinc/31/02/79/202310279.db2.gz IKLZGHCMOLBHGR-LJQANCHMSA-N 2 1 349.482 3.348 1 0 EGAFMP CC[NH2+]CCC(=O)Nc1cccc2c1C[N@@H+](C)C[C@@H]2c1ccccc1 ZINC000028219506 202166442 /nfs/dbraw/zinc/16/64/42/202166442.db2.gz OUDBMSSDLYKRDA-GOSISDBHSA-N 2 1 337.467 3.202 1 0 EGAFMP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(SCc2ccccc2)cc1 ZINC000029216002 581092232 /nfs/dbraw/zinc/09/22/32/581092232.db2.gz DUGQTGGEJXSJQG-UHFFFAOYSA-N 2 1 339.468 3.164 1 0 EGAFMP CCC[NH+]1CCC(N2CC[C@]3(C2)CCC[N@@H+](CC2CCC2)C3)CC1 ZINC000012439748 283318874 /nfs/dbraw/zinc/31/88/74/283318874.db2.gz VXMTWGSILZVSJU-OAQYLSRUSA-N 2 1 333.564 3.449 1 0 EGAFMP O=C1NC(CCC[N@@H+]2CC=C(c3ccccc3)CC2)=N[C@@H]2CCC[C@@H]12 ZINC000169360634 581100825 /nfs/dbraw/zinc/10/08/25/581100825.db2.gz WIQUOWNSAPQDKI-RTBURBONSA-N 2 1 337.467 3.253 1 0 EGAFMP O=C1NC(CCC[N@@H+]2CC=C(c3ccccc3)CC2)=[NH+][C@@H]2CCC[C@@H]12 ZINC000169360634 581100827 /nfs/dbraw/zinc/10/08/27/581100827.db2.gz WIQUOWNSAPQDKI-RTBURBONSA-N 2 1 337.467 3.253 1 0 EGAFMP CCN(CC)CC(C[NH+](CC)CC)NCc1ccc(Cl)cc1 ZINC000066078338 215006462 /nfs/dbraw/zinc/00/64/62/215006462.db2.gz NPPAEWZPZKOLFR-UHFFFAOYSA-N 2 1 325.928 3.482 1 0 EGAFMP CC(C)[NH2+]CC(=O)Nc1cccc2c1C[N@@H+](C)C[C@H]2c1ccccc1 ZINC000040505063 213326233 /nfs/dbraw/zinc/32/62/33/213326233.db2.gz SIBDDQUAJLKKAZ-SFHVURJKSA-N 2 1 337.467 3.200 1 0 EGAFMP C[N@@H+]1CCN2c3ccc(Cl)cc3C(c3ccccc3)=[NH+]C[C@@H]2C1 ZINC000036080401 132390644 /nfs/dbraw/zinc/39/06/44/132390644.db2.gz KYQCNBBQKYANTG-MRXNPFEDSA-N 2 1 325.843 3.311 1 0 EGAFMP C[N@H+]1CCN2c3ccc(Cl)cc3C(c3ccccc3)=[NH+]C[C@@H]2C1 ZINC000036080401 132390645 /nfs/dbraw/zinc/39/06/45/132390645.db2.gz KYQCNBBQKYANTG-MRXNPFEDSA-N 2 1 325.843 3.311 1 0 EGAFMP COCCC[N@H+](Cc1ccc(F)cc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000036093148 213061260 /nfs/dbraw/zinc/06/12/60/213061260.db2.gz XZDYMDWKOACPPP-UHFFFAOYSA-N 2 1 348.384 3.435 1 0 EGAFMP COCCC[N@@H+](Cc1ccc(F)cc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000036093148 213061263 /nfs/dbraw/zinc/06/12/63/213061263.db2.gz XZDYMDWKOACPPP-UHFFFAOYSA-N 2 1 348.384 3.435 1 0 EGAFMP O=C1NC(CCC[N@@H+]2CC=C(c3ccccc3)CC2)=N[C@H]2CCC[C@H]12 ZINC000028524104 581100940 /nfs/dbraw/zinc/10/09/40/581100940.db2.gz WIQUOWNSAPQDKI-OALUTQOASA-N 2 1 337.467 3.253 1 0 EGAFMP O=C1NC(CCC[N@@H+]2CC=C(c3ccccc3)CC2)=[NH+][C@H]2CCC[C@H]12 ZINC000028524104 581100942 /nfs/dbraw/zinc/10/09/42/581100942.db2.gz WIQUOWNSAPQDKI-OALUTQOASA-N 2 1 337.467 3.253 1 0 EGAFMP [NH3+]CCCC[N@@H+](CCC[NH3+])C1c2ccccc2CCc2ccccc21 ZINC000040762637 213384197 /nfs/dbraw/zinc/38/41/97/213384197.db2.gz GTZZSZGETRRBFR-UHFFFAOYSA-N 3 1 337.511 3.264 1 0 EGAFMP CC(C)(O)C[N@@H+](Cc1ccc(F)cc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000036093166 213061967 /nfs/dbraw/zinc/06/19/67/213061967.db2.gz SWHHPRMJECGQTA-UHFFFAOYSA-N 2 1 348.384 3.169 1 0 EGAFMP O=C1NC(CCC[N@@H+]2CC=C(c3ccccc3)CC2)=N[C@H]2CCC[C@@H]12 ZINC000169360636 581100802 /nfs/dbraw/zinc/10/08/02/581100802.db2.gz WIQUOWNSAPQDKI-MOPGFXCFSA-N 2 1 337.467 3.253 1 0 EGAFMP O=C1NC(CCC[N@@H+]2CC=C(c3ccccc3)CC2)=[NH+][C@H]2CCC[C@@H]12 ZINC000169360636 581100804 /nfs/dbraw/zinc/10/08/04/581100804.db2.gz WIQUOWNSAPQDKI-MOPGFXCFSA-N 2 1 337.467 3.253 1 0 EGAFMP