smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccc(C(=O)NNc2cc[nH+]c3cc(Cl)ccc23)cn1	ZINC001574578727	962092700	/nfs/dbraw/zinc/09/27/00/962092700.db2.gz	MWUOUUHEEXATTN-UHFFFAOYSA-N	0	2	342.742	2.738	20	50		EFGDLN
CC(C)[C@H](NC(=O)[O-])C(=O)NNc1cc[nH+]c2cc(Cl)ccc12	ZINC000736376757	978327745	/nfs/dbraw/zinc/32/77/45/978327745.db2.gz	XHZNNPLRXSTYOB-ZDUSSCGKSA-N	0	2	336.779	2.624	20	50		EFGDLN
C[C@H]1CCC[C@@H](CC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)C1	ZINC000824925143	946992913	/nfs/dbraw/zinc/99/29/13/946992913.db2.gz	AWPKVAKNIKHJOH-VHSXEESVSA-N	0	2	349.826	2.575	20	50		EFGDLN
O=C([O-])C1(C(=O)NNc2cc[nH+]c3cc(Cl)ccc23)CC=CC1	ZINC001594867607	954320070	/nfs/dbraw/zinc/32/00/70/954320070.db2.gz	ONHWDFUAYNONSD-UHFFFAOYSA-N	0	2	331.759	2.752	20	50		EFGDLN
O=C([O-])[C@@H]1CC[C@H](C(=O)NNc2cc[nH+]c3cc(Cl)ccc23)C1	ZINC001574578707	962091541	/nfs/dbraw/zinc/09/15/41/962091541.db2.gz	LUICWTHUSUKDGC-VHSXEESVSA-N	0	2	333.775	2.832	20	50		EFGDLN
CC1(C)C[C@@]1(C(=O)[O-])C(=O)NNc1cc[nH+]c2cc(Cl)ccc12	ZINC001603320147	972633940	/nfs/dbraw/zinc/63/39/40/972633940.db2.gz	BENQSFUZAQZYJE-INIZCTEOSA-N	0	2	333.775	2.832	20	50		EFGDLN
O=C([O-])c1ccc(C(=O)NNc2cc[nH+]c3cc(Cl)ccc23)nc1	ZINC001595220754	949240632	/nfs/dbraw/zinc/24/06/32/949240632.db2.gz	AILNVSGAZIHFDX-UHFFFAOYSA-N	0	2	342.742	2.738	20	50		EFGDLN
C[C@@H](CC1CCCC1)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	ZINC000824393554	608574170	/nfs/dbraw/zinc/57/41/70/608574170.db2.gz	STRYRDGNKKWIMO-VIFPVBQESA-N	0	2	349.826	2.575	20	50		EFGDLN
CN(CCCC(=O)NNc1cc[nH+]c2cc(Cl)ccc12)C(=O)[O-]	ZINC000737426409	978407011	/nfs/dbraw/zinc/40/70/11/978407011.db2.gz	DXCGPLSRHJKZGL-UHFFFAOYSA-N	0	2	336.779	2.721	20	50		EFGDLN
C[C@@H]1CCCC[C@H]1CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	ZINC000824936624	946999107	/nfs/dbraw/zinc/99/91/07/946999107.db2.gz	KKTLAVYQTRZKOE-ZJUUUORDSA-N	0	2	349.826	2.575	20	50		EFGDLN
C[N@H+](CCO[Si](C)(C)C(C)(C)C)Cc1cnc(C(=O)[O-])cn1	ZINC001598498234	992391714	/nfs/dbraw/zinc/39/17/14/992391714.db2.gz	ROHQSWHLUURZFC-UHFFFAOYSA-N	0	2	325.485	2.628	20	50		EFGDLN
C[N@@H+](CCO[Si](C)(C)C(C)(C)C)Cc1cnc(C(=O)[O-])cn1	ZINC001598498234	992391721	/nfs/dbraw/zinc/39/17/21/992391721.db2.gz	ROHQSWHLUURZFC-UHFFFAOYSA-N	0	2	325.485	2.628	20	50		EFGDLN
CCCCCCCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	ZINC000825271453	608572152	/nfs/dbraw/zinc/57/21/52/608572152.db2.gz	JYBAFVZZUCTCSO-UHFFFAOYSA-N	0	2	337.815	2.719	20	50		EFGDLN
C[C@@H]1CCC[C@@H](CC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)C1	ZINC000824925138	946994427	/nfs/dbraw/zinc/99/44/27/946994427.db2.gz	AWPKVAKNIKHJOH-NXEZZACHSA-N	0	2	349.826	2.575	20	50		EFGDLN
CC1(C)C[C@]1(C(=O)[O-])C(=O)NNc1cc[nH+]c2cc(Cl)ccc12	ZINC001603320148	972633410	/nfs/dbraw/zinc/63/34/10/972633410.db2.gz	BENQSFUZAQZYJE-MRXNPFEDSA-N	0	2	333.775	2.832	20	50		EFGDLN
C[NH+](C)[C@H](C(=O)NNc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1	ZINC001598163085	990667468	/nfs/dbraw/zinc/66/74/68/990667468.db2.gz	NTTUVQUGTHXZIO-HNNXBMFYSA-N	0	2	347.802	2.784	20	50		EFGDLN
CC1(C)CCC[C@H](C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)C1	ZINC000824803526	608572916	/nfs/dbraw/zinc/57/29/16/608572916.db2.gz	VRKLFMAMPWZJTQ-VIFPVBQESA-N	0	2	349.826	2.575	20	50		EFGDLN
CCCC[C@H](CC)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	ZINC000825260453	608627298	/nfs/dbraw/zinc/62/72/98/608627298.db2.gz	PLGGHMHIJWUCTF-VIFPVBQESA-N	0	2	337.815	2.575	20	50		EFGDLN
C[NH+](C)[C@@H](C(=O)NNc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1	ZINC001598163086	990667628	/nfs/dbraw/zinc/66/76/28/990667628.db2.gz	NTTUVQUGTHXZIO-OAHLLOKOSA-N	0	2	347.802	2.784	20	50		EFGDLN
CC(C)[C@@H](NC(=O)[O-])C(=O)NNc1cc[nH+]c2cc(Cl)ccc12	ZINC000736376754	978327876	/nfs/dbraw/zinc/32/78/76/978327876.db2.gz	XHZNNPLRXSTYOB-CYBMUJFWSA-N	0	2	336.779	2.624	20	50		EFGDLN